data_17864 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17864 _Entry.Title ; 1H, 13C, and 15N Chemical Shift Assignments for human FAIM-CTD ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-08-16 _Entry.Accession_date 2011-08-16 _Entry.Last_release_date 2011-08-31 _Entry.Original_release_date 2011-08-31 _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 Shuaipeng Ma . . . 17864 2 Guoming Li . . . 17864 3 Xiaofeng Zheng . . . 17864 4 Changwen Jin . . . 17864 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17864 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 356 17864 '15N chemical shifts' 92 17864 '1H chemical shifts' 565 17864 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-08-31 2011-08-16 original author . 17864 stop_ save_ ############### # Citations # ############### save_FAIM-CTD_polypeptide _Citation.Sf_category citations _Citation.Sf_framecode FAIM-CTD_polypeptide _Citation.Entry_ID 17864 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title '1H, 13C and 15N Assigned Chemical Shifts for human FAIM CTD' _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Shuaipeng Ma . . . 17864 1 2 Changwen Jin . . . 17864 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17864 _Assembly.ID 1 _Assembly.Name 'CTD monomer' _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 CTD 1 $FAIM-CTD A . no native no no . . . 17864 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_FAIM-CTD _Entity.Sf_category entity _Entity.Sf_framecode FAIM-CTD _Entity.Entry_ID 17864 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name FAIM-CTD_polypeptide _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 ; EDRSKTTNTWVLHMDGENFR IVLEKDAMDVWCNGKKLETA GEFVDDGTETHFSIGNHDCY IKAVSSGKRKEGIIHTLIVD NREIPEIAS ; _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 89 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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 2KW1 . "Solution Structure Of Ctd" . . . . . 100.00 89 100.00 100.00 1.06e-57 . . . . 17864 1 2 no DBJ BAA91695 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 179 100.00 100.00 2.77e-57 . . . . 17864 1 3 no EMBL CAG33403 . "FAIM [Homo sapiens]" . . . . . 100.00 179 98.88 98.88 1.10e-56 . . . . 17864 1 4 no GB AAH12478 . "Fas apoptotic inhibitory molecule [Homo sapiens]" . . . . . 100.00 179 100.00 100.00 2.77e-57 . . . . 17864 1 5 no GB ABM82508 . "Fas apoptotic inhibitory molecule [synthetic construct]" . . . . . 100.00 179 100.00 100.00 2.77e-57 . . . . 17864 1 6 no GB ABM85702 . "Fas apoptotic inhibitory molecule [synthetic construct]" . . . . . 100.00 179 100.00 100.00 2.77e-57 . . . . 17864 1 7 no GB AIC51733 . "FAIM, partial [synthetic construct]" . . . . . 100.00 179 100.00 100.00 2.77e-57 . . . . 17864 1 8 no GB EAW79057 . "Fas apoptotic inhibitory molecule, isoform CRA_a [Homo sapiens]" . . . . . 100.00 201 100.00 100.00 4.57e-57 . . . . 17864 1 9 no REF NP_001028202 . "fas apoptotic inhibitory molecule 1 isoform a [Homo sapiens]" . . . . . 100.00 213 100.00 100.00 4.15e-57 . . . . 17864 1 10 no REF NP_001028203 . "fas apoptotic inhibitory molecule 1 isoform b [Homo sapiens]" . . . . . 100.00 201 100.00 100.00 4.57e-57 . . . . 17864 1 11 no REF NP_001028204 . "fas apoptotic inhibitory molecule 1 isoform c [Homo sapiens]" . . . . . 100.00 179 100.00 100.00 2.77e-57 . . . . 17864 1 12 no REF NP_060617 . "fas apoptotic inhibitory molecule 1 isoform c [Homo sapiens]" . . . . . 100.00 179 100.00 100.00 2.77e-57 . . . . 17864 1 13 no REF XP_001157090 . "PREDICTED: fas apoptotic inhibitory molecule 1 isoform X2 [Pan troglodytes]" . . . . . 100.00 179 98.88 98.88 1.30e-56 . . . . 17864 1 14 no SP Q9NVQ4 . "RecName: Full=Fas apoptotic inhibitory molecule 1" . . . . . 100.00 179 100.00 100.00 2.77e-57 . . . . 17864 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 1 GLU . 17864 1 2 2 ASP . 17864 1 3 3 ARG . 17864 1 4 4 SER . 17864 1 5 5 LYS . 17864 1 6 6 THR . 17864 1 7 7 THR . 17864 1 8 8 ASN . 17864 1 9 9 THR . 17864 1 10 10 TRP . 17864 1 11 11 VAL . 17864 1 12 12 LEU . 17864 1 13 13 HIS . 17864 1 14 14 MET . 17864 1 15 15 ASP . 17864 1 16 16 GLY . 17864 1 17 17 GLU . 17864 1 18 18 ASN . 17864 1 19 19 PHE . 17864 1 20 20 ARG . 17864 1 21 21 ILE . 17864 1 22 22 VAL . 17864 1 23 23 LEU . 17864 1 24 24 GLU . 17864 1 25 25 LYS . 17864 1 26 26 ASP . 17864 1 27 27 ALA . 17864 1 28 28 MET . 17864 1 29 29 ASP . 17864 1 30 30 VAL . 17864 1 31 31 TRP . 17864 1 32 32 CYS . 17864 1 33 33 ASN . 17864 1 34 34 GLY . 17864 1 35 35 LYS . 17864 1 36 36 LYS . 17864 1 37 37 LEU . 17864 1 38 38 GLU . 17864 1 39 39 THR . 17864 1 40 40 ALA . 17864 1 41 41 GLY . 17864 1 42 42 GLU . 17864 1 43 43 PHE . 17864 1 44 44 VAL . 17864 1 45 45 ASP . 17864 1 46 46 ASP . 17864 1 47 47 GLY . 17864 1 48 48 THR . 17864 1 49 49 GLU . 17864 1 50 50 THR . 17864 1 51 51 HIS . 17864 1 52 52 PHE . 17864 1 53 53 SER . 17864 1 54 54 ILE . 17864 1 55 55 GLY . 17864 1 56 56 ASN . 17864 1 57 57 HIS . 17864 1 58 58 ASP . 17864 1 59 59 CYS . 17864 1 60 60 TYR . 17864 1 61 61 ILE . 17864 1 62 62 LYS . 17864 1 63 63 ALA . 17864 1 64 64 VAL . 17864 1 65 65 SER . 17864 1 66 66 SER . 17864 1 67 67 GLY . 17864 1 68 68 LYS . 17864 1 69 69 ARG . 17864 1 70 70 LYS . 17864 1 71 71 GLU . 17864 1 72 72 GLY . 17864 1 73 73 ILE . 17864 1 74 74 ILE . 17864 1 75 75 HIS . 17864 1 76 76 THR . 17864 1 77 77 LEU . 17864 1 78 78 ILE . 17864 1 79 79 VAL . 17864 1 80 80 ASP . 17864 1 81 81 ASN . 17864 1 82 82 ARG . 17864 1 83 83 GLU . 17864 1 84 84 ILE . 17864 1 85 85 PRO . 17864 1 86 86 GLU . 17864 1 87 87 ILE . 17864 1 88 88 ALA . 17864 1 89 89 SER . 17864 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 . GLU 1 1 17864 1 . ASP 2 2 17864 1 . ARG 3 3 17864 1 . SER 4 4 17864 1 . LYS 5 5 17864 1 . THR 6 6 17864 1 . THR 7 7 17864 1 . ASN 8 8 17864 1 . THR 9 9 17864 1 . TRP 10 10 17864 1 . VAL 11 11 17864 1 . LEU 12 12 17864 1 . HIS 13 13 17864 1 . MET 14 14 17864 1 . ASP 15 15 17864 1 . GLY 16 16 17864 1 . GLU 17 17 17864 1 . ASN 18 18 17864 1 . PHE 19 19 17864 1 . ARG 20 20 17864 1 . ILE 21 21 17864 1 . VAL 22 22 17864 1 . LEU 23 23 17864 1 . GLU 24 24 17864 1 . LYS 25 25 17864 1 . ASP 26 26 17864 1 . ALA 27 27 17864 1 . MET 28 28 17864 1 . ASP 29 29 17864 1 . VAL 30 30 17864 1 . TRP 31 31 17864 1 . CYS 32 32 17864 1 . ASN 33 33 17864 1 . GLY 34 34 17864 1 . LYS 35 35 17864 1 . LYS 36 36 17864 1 . LEU 37 37 17864 1 . GLU 38 38 17864 1 . THR 39 39 17864 1 . ALA 40 40 17864 1 . GLY 41 41 17864 1 . GLU 42 42 17864 1 . PHE 43 43 17864 1 . VAL 44 44 17864 1 . ASP 45 45 17864 1 . ASP 46 46 17864 1 . GLY 47 47 17864 1 . THR 48 48 17864 1 . GLU 49 49 17864 1 . THR 50 50 17864 1 . HIS 51 51 17864 1 . PHE 52 52 17864 1 . SER 53 53 17864 1 . ILE 54 54 17864 1 . GLY 55 55 17864 1 . ASN 56 56 17864 1 . HIS 57 57 17864 1 . ASP 58 58 17864 1 . CYS 59 59 17864 1 . TYR 60 60 17864 1 . ILE 61 61 17864 1 . LYS 62 62 17864 1 . ALA 63 63 17864 1 . VAL 64 64 17864 1 . SER 65 65 17864 1 . SER 66 66 17864 1 . GLY 67 67 17864 1 . LYS 68 68 17864 1 . ARG 69 69 17864 1 . LYS 70 70 17864 1 . GLU 71 71 17864 1 . GLY 72 72 17864 1 . ILE 73 73 17864 1 . ILE 74 74 17864 1 . HIS 75 75 17864 1 . THR 76 76 17864 1 . LEU 77 77 17864 1 . ILE 78 78 17864 1 . VAL 79 79 17864 1 . ASP 80 80 17864 1 . ASN 81 81 17864 1 . ARG 82 82 17864 1 . GLU 83 83 17864 1 . ILE 84 84 17864 1 . PRO 85 85 17864 1 . GLU 86 86 17864 1 . ILE 87 87 17864 1 . ALA 88 88 17864 1 . SER 89 89 17864 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 17864 _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 $FAIM-CTD . 9606 organism . 'Homo sapiens' humans . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17864 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 17864 _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 $FAIM-CTD . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET28a(+) . . . . . . 17864 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17864 _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 'FAIM-CTD polypeptide' '[U-13C; U-15N]' . . 1 $FAIM-CTD . . . 0.5 1.0 mM . . . . 17864 1 2 H20 'natural abundance' . . . . . . 90 . . % . . . . 17864 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17864 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 17864 _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' 0.05 . M 17864 1 pH 7.0 . pH 17864 1 pressure 1 . atm 17864 1 temperature 298 . K 17864 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17864 _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' . . 17864 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17864 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17864 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17864 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 17864 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 17864 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17864 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17864 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17864 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17864 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17864 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17864 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17864 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17864 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 17864 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'DSS reference' 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 internal indirect 0.251449530 . . . . . . . . . 17864 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . . . . . . . 17864 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . . . . . 17864 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 17864 _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' . . . 17864 1 3 '3D HNCACB' . . . 17864 1 4 '3D CBCA(CO)NH' . . . 17864 1 6 '3D HCCH-TOCSY' . . . 17864 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 GLU HA H 1 4.226 0.02 . 1 . . . . 1 E HA . 17864 1 2 . 1 1 1 1 GLU HB2 H 1 1.926 0.02 . 2 . . . . 1 E HB1 . 17864 1 3 . 1 1 1 1 GLU HB3 H 1 2.026 0.02 . 2 . . . . 1 E HB2 . 17864 1 4 . 1 1 1 1 GLU HG2 H 1 2.232 0.02 . 2 . . . . 1 E HG1 . 17864 1 5 . 1 1 1 1 GLU HG3 H 1 2.232 0.02 . 2 . . . . 1 E HG2 . 17864 1 6 . 1 1 1 1 GLU C C 13 176.141 0.2 . 1 . . . . 1 E C . 17864 1 7 . 1 1 1 1 GLU CA C 13 56.747 0.2 . 1 . . . . 1 E CA . 17864 1 8 . 1 1 1 1 GLU CB C 13 30.354 0.2 . 1 . . . . 1 E CB . 17864 1 9 . 1 1 1 1 GLU CG C 13 36.341 0.2 . 1 . . . . 1 E CG . 17864 1 10 . 1 1 2 2 ASP H H 1 8.368 0.02 . 1 . . . . 2 D HN . 17864 1 11 . 1 1 2 2 ASP HA H 1 4.605 0.02 . 1 . . . . 2 D HA . 17864 1 12 . 1 1 2 2 ASP HB2 H 1 2.647 0.02 . 2 . . . . 2 D HB1 . 17864 1 13 . 1 1 2 2 ASP HB3 H 1 2.749 0.02 . 2 . . . . 2 D HB2 . 17864 1 14 . 1 1 2 2 ASP C C 13 176.652 0.2 . 1 . . . . 2 D C . 17864 1 15 . 1 1 2 2 ASP CA C 13 54.180 0.2 . 1 . . . . 2 D CA . 17864 1 16 . 1 1 2 2 ASP CB C 13 41.017 0.2 . 1 . . . . 2 D CB . 17864 1 17 . 1 1 2 2 ASP N N 15 121.581 0.2 . 1 . . . . 2 D N . 17864 1 18 . 1 1 3 3 ARG H H 1 8.403 0.02 . 1 . . . . 3 R HN . 17864 1 19 . 1 1 3 3 ARG HA H 1 4.367 0.02 . 1 . . . . 3 R HA . 17864 1 20 . 1 1 3 3 ARG HB2 H 1 1.759 0.02 . 2 . . . . 3 R HB1 . 17864 1 21 . 1 1 3 3 ARG HB3 H 1 1.947 0.02 . 2 . . . . 3 R HB2 . 17864 1 22 . 1 1 3 3 ARG HG2 H 1 1.632 0.02 . 2 . . . . 3 R HG1 . 17864 1 23 . 1 1 3 3 ARG HG3 H 1 1.684 0.02 . 2 . . . . 3 R HG2 . 17864 1 24 . 1 1 3 3 ARG HD2 H 1 3.186 0.02 . 2 . . . . 3 R HD1 . 17864 1 25 . 1 1 3 3 ARG HD3 H 1 3.244 0.02 . 2 . . . . 3 R HD2 . 17864 1 26 . 1 1 3 3 ARG C C 13 176.786 0.2 . 1 . . . . 3 R C . 17864 1 27 . 1 1 3 3 ARG CA C 13 56.099 0.2 . 1 . . . . 3 R CA . 17864 1 28 . 1 1 3 3 ARG CB C 13 30.450 0.2 . 1 . . . . 3 R CB . 17864 1 29 . 1 1 3 3 ARG CG C 13 27.180 0.2 . 1 . . . . 3 R CG . 17864 1 30 . 1 1 3 3 ARG CD C 13 43.026 0.2 . 1 . . . . 3 R CD . 17864 1 31 . 1 1 3 3 ARG N N 15 122.519 0.2 . 1 . . . . 3 R N . 17864 1 32 . 1 1 4 4 SER H H 1 8.435 0.02 . 1 . . . . 4 S HN . 17864 1 33 . 1 1 4 4 SER HA H 1 4.393 0.02 . 1 . . . . 4 S HA . 17864 1 34 . 1 1 4 4 SER HB2 H 1 3.915 0.02 . 2 . . . . 4 S HB1 . 17864 1 35 . 1 1 4 4 SER HB3 H 1 3.915 0.02 . 2 . . . . 4 S HB2 . 17864 1 36 . 1 1 4 4 SER C C 13 174.797 0.2 . 1 . . . . 4 S C . 17864 1 37 . 1 1 4 4 SER CA C 13 59.431 0.2 . 1 . . . . 4 S CA . 17864 1 38 . 1 1 4 4 SER CB C 13 63.805 0.2 . 1 . . . . 4 S CB . 17864 1 39 . 1 1 4 4 SER N N 15 116.746 0.2 . 1 . . . . 4 S N . 17864 1 40 . 1 1 5 5 LYS H H 1 8.255 0.02 . 1 . . . . 5 K HN . 17864 1 41 . 1 1 5 5 LYS HA H 1 4.507 0.02 . 1 . . . . 5 K HA . 17864 1 42 . 1 1 5 5 LYS HB2 H 1 1.830 0.02 . 2 . . . . 5 K HB1 . 17864 1 43 . 1 1 5 5 LYS HB3 H 1 1.965 0.02 . 2 . . . . 5 K HB2 . 17864 1 44 . 1 1 5 5 LYS HG2 H 1 1.452 0.02 . 2 . . . . 5 K HG1 . 17864 1 45 . 1 1 5 5 LYS HG3 H 1 1.515 0.02 . 2 . . . . 5 K HG2 . 17864 1 46 . 1 1 5 5 LYS HD2 H 1 1.704 0.02 . 2 . . . . 5 K HD1 . 17864 1 47 . 1 1 5 5 LYS HD3 H 1 1.704 0.02 . 2 . . . . 5 K HD2 . 17864 1 48 . 1 1 5 5 LYS HE2 H 1 3.031 0.02 . 2 . . . . 5 K HE1 . 17864 1 49 . 1 1 5 5 LYS HE3 H 1 3.031 0.02 . 2 . . . . 5 K HE2 . 17864 1 50 . 1 1 5 5 LYS C C 13 177.055 0.2 . 1 . . . . 5 K C . 17864 1 51 . 1 1 5 5 LYS CA C 13 56.320 0.2 . 1 . . . . 5 K CA . 17864 1 52 . 1 1 5 5 LYS CB C 13 32.968 0.2 . 1 . . . . 5 K CB . 17864 1 53 . 1 1 5 5 LYS CG C 13 24.825 0.2 . 1 . . . . 5 K CG . 17864 1 54 . 1 1 5 5 LYS CD C 13 29.159 0.2 . 1 . . . . 5 K CD . 17864 1 55 . 1 1 5 5 LYS CE C 13 42.207 0.2 . 1 . . . . 5 K CE . 17864 1 56 . 1 1 5 5 LYS N N 15 122.365 0.2 . 1 . . . . 5 K N . 17864 1 57 . 1 1 6 6 THR H H 1 8.217 0.02 . 1 . . . . 6 T HN . 17864 1 58 . 1 1 6 6 THR HA H 1 4.425 0.02 . 1 . . . . 6 T HA . 17864 1 59 . 1 1 6 6 THR HB H 1 4.408 0.02 . 1 . . . . 6 T HB . 17864 1 60 . 1 1 6 6 THR HG21 H 1 1.223 0.02 . 1 . . . . 6 T HG21 . 17864 1 61 . 1 1 6 6 THR HG22 H 1 1.223 0.02 . 1 . . . . 6 T HG21 . 17864 1 62 . 1 1 6 6 THR HG23 H 1 1.223 0.02 . 1 . . . . 6 T HG21 . 17864 1 63 . 1 1 6 6 THR C C 13 174.475 0.2 . 1 . . . . 6 T C . 17864 1 64 . 1 1 6 6 THR CA C 13 62.238 0.2 . 1 . . . . 6 T CA . 17864 1 65 . 1 1 6 6 THR CB C 13 69.350 0.2 . 1 . . . . 6 T CB . 17864 1 66 . 1 1 6 6 THR CG2 C 13 22.099 0.2 . 1 . . . . 6 T CG2 . 17864 1 67 . 1 1 6 6 THR N N 15 113.181 0.2 . 1 . . . . 6 T N . 17864 1 68 . 1 1 7 7 THR H H 1 7.806 0.02 . 1 . . . . 7 T HN . 17864 1 69 . 1 1 7 7 THR HA H 1 5.315 0.02 . 1 . . . . 7 T HA . 17864 1 70 . 1 1 7 7 THR HB H 1 3.985 0.02 . 1 . . . . 7 T HB . 17864 1 71 . 1 1 7 7 THR HG21 H 1 1.093 0.02 . 1 . . . . 7 T HG21 . 17864 1 72 . 1 1 7 7 THR HG22 H 1 1.093 0.02 . 1 . . . . 7 T HG21 . 17864 1 73 . 1 1 7 7 THR HG23 H 1 1.093 0.02 . 1 . . . . 7 T HG21 . 17864 1 74 . 1 1 7 7 THR C C 13 174.018 0.2 . 1 . . . . 7 T C . 17864 1 75 . 1 1 7 7 THR CA C 13 59.872 0.2 . 1 . . . . 7 T CA . 17864 1 76 . 1 1 7 7 THR CB C 13 72.554 0.2 . 1 . . . . 7 T CB . 17864 1 77 . 1 1 7 7 THR CG2 C 13 21.792 0.2 . 1 . . . . 7 T CG2 . 17864 1 78 . 1 1 7 7 THR N N 15 113.435 0.2 . 1 . . . . 7 T N . 17864 1 79 . 1 1 8 8 ASN H H 1 8.371 0.02 . 1 . . . . 8 N HN . 17864 1 80 . 1 1 8 8 ASN HA H 1 4.665 0.02 . 1 . . . . 8 N HA . 17864 1 81 . 1 1 8 8 ASN HB2 H 1 1.676 0.02 . 2 . . . . 8 N HB1 . 17864 1 82 . 1 1 8 8 ASN HB3 H 1 2.087 0.02 . 2 . . . . 8 N HB2 . 17864 1 83 . 1 1 8 8 ASN HD21 H 1 7.202 0.02 . 2 . . . . 8 N HD21 . 17864 1 84 . 1 1 8 8 ASN HD22 H 1 6.955 0.02 . 2 . . . . 8 N HD22 . 17864 1 85 . 1 1 8 8 ASN C C 13 172.781 0.2 . 1 . . . . 8 N C . 17864 1 86 . 1 1 8 8 ASN CA C 13 53.079 0.2 . 1 . . . . 8 N CA . 17864 1 87 . 1 1 8 8 ASN CB C 13 42.537 0.2 . 1 . . . . 8 N CB . 17864 1 88 . 1 1 8 8 ASN N N 15 119.706 0.2 . 1 . . . . 8 N N . 17864 1 89 . 1 1 8 8 ASN ND2 N 15 110.348 0.2 . 1 . . . . 8 N ND2 . 17864 1 90 . 1 1 9 9 THR H H 1 7.995 0.02 . 1 . . . . 9 T HN . 17864 1 91 . 1 1 9 9 THR HA H 1 5.349 0.02 . 1 . . . . 9 T HA . 17864 1 92 . 1 1 9 9 THR HB H 1 3.667 0.02 . 1 . . . . 9 T HB . 17864 1 93 . 1 1 9 9 THR HG21 H 1 1.050 0.02 . 1 . . . . 9 T HG21 . 17864 1 94 . 1 1 9 9 THR HG22 H 1 1.050 0.02 . 1 . . . . 9 T HG21 . 17864 1 95 . 1 1 9 9 THR HG23 H 1 1.050 0.02 . 1 . . . . 9 T HG21 . 17864 1 96 . 1 1 9 9 THR C C 13 171.867 0.2 . 1 . . . . 9 T C . 17864 1 97 . 1 1 9 9 THR CA C 13 61.564 0.2 . 1 . . . . 9 T CA . 17864 1 98 . 1 1 9 9 THR CB C 13 71.500 0.2 . 1 . . . . 9 T CB . 17864 1 99 . 1 1 9 9 THR CG2 C 13 21.050 0.2 . 1 . . . . 9 T CG2 . 17864 1 100 . 1 1 9 9 THR N N 15 115.981 0.2 . 1 . . . . 9 T N . 17864 1 101 . 1 1 10 10 TRP H H 1 9.644 0.02 . 1 . . . . 10 W HN . 17864 1 102 . 1 1 10 10 TRP HA H 1 4.918 0.02 . 1 . . . . 10 W HA . 17864 1 103 . 1 1 10 10 TRP HB2 H 1 2.930 0.02 . 2 . . . . 10 W HB1 . 17864 1 104 . 1 1 10 10 TRP HB3 H 1 2.950 0.02 . 2 . . . . 10 W HB2 . 17864 1 105 . 1 1 10 10 TRP HE1 H 1 10.444 0.02 . 1 . . . . 10 W HE1 . 17864 1 106 . 1 1 10 10 TRP C C 13 174.528 0.2 . 1 . . . . 10 W C . 17864 1 107 . 1 1 10 10 TRP CA C 13 58.055 0.2 . 1 . . . . 10 W CA . 17864 1 108 . 1 1 10 10 TRP CB C 13 34.516 0.2 . 1 . . . . 10 W CB . 17864 1 109 . 1 1 10 10 TRP N N 15 125.311 0.2 . 1 . . . . 10 W N . 17864 1 110 . 1 1 10 10 TRP NE1 N 15 130.692 0.2 . 1 . . . . 10 W NE1 . 17864 1 111 . 1 1 11 11 VAL H H 1 8.744 0.02 . 1 . . . . 11 V HN . 17864 1 112 . 1 1 11 11 VAL HA H 1 5.182 0.02 . 1 . . . . 11 V HA . 17864 1 113 . 1 1 11 11 VAL HB H 1 1.959 0.02 . 1 . . . . 11 V HB . 17864 1 114 . 1 1 11 11 VAL HG11 H 1 0.842 0.02 . 2 . . . . 11 V HG11 . 17864 1 115 . 1 1 11 11 VAL HG12 H 1 0.842 0.02 . 2 . . . . 11 V HG11 . 17864 1 116 . 1 1 11 11 VAL HG13 H 1 0.842 0.02 . 2 . . . . 11 V HG11 . 17864 1 117 . 1 1 11 11 VAL HG21 H 1 0.937 0.02 . 2 . . . . 11 V HG21 . 17864 1 118 . 1 1 11 11 VAL HG22 H 1 0.937 0.02 . 2 . . . . 11 V HG21 . 17864 1 119 . 1 1 11 11 VAL HG23 H 1 0.937 0.02 . 2 . . . . 11 V HG21 . 17864 1 120 . 1 1 11 11 VAL C C 13 174.958 0.2 . 1 . . . . 11 V C . 17864 1 121 . 1 1 11 11 VAL CA C 13 61.069 0.2 . 1 . . . . 11 V CA . 17864 1 122 . 1 1 11 11 VAL CB C 13 34.065 0.2 . 1 . . . . 11 V CB . 17864 1 123 . 1 1 11 11 VAL CG1 C 13 21.219 0.2 . 1 . . . . 11 V CG1 . 17864 1 124 . 1 1 11 11 VAL CG2 C 13 21.219 0.2 . 1 . . . . 11 V CG2 . 17864 1 125 . 1 1 11 11 VAL N N 15 120.177 0.2 . 1 . . . . 11 V N . 17864 1 126 . 1 1 12 12 LEU H H 1 9.111 0.02 . 1 . . . . 12 L HN . 17864 1 127 . 1 1 12 12 LEU HA H 1 4.771 0.02 . 1 . . . . 12 L HA . 17864 1 128 . 1 1 12 12 LEU HB2 H 1 1.679 0.02 . 2 . . . . 12 L HB1 . 17864 1 129 . 1 1 12 12 LEU HB3 H 1 1.759 0.02 . 2 . . . . 12 L HB2 . 17864 1 130 . 1 1 12 12 LEU HG H 1 0.837 0.02 . 1 . . . . 12 L HG . 17864 1 131 . 1 1 12 12 LEU HD11 H 1 1.627 0.02 . 2 . . . . 12 L HD11 . 17864 1 132 . 1 1 12 12 LEU HD12 H 1 1.627 0.02 . 2 . . . . 12 L HD11 . 17864 1 133 . 1 1 12 12 LEU HD13 H 1 1.627 0.02 . 2 . . . . 12 L HD11 . 17864 1 134 . 1 1 12 12 LEU HD21 H 1 0.830 0.02 . 2 . . . . 12 L HD21 . 17864 1 135 . 1 1 12 12 LEU HD22 H 1 0.830 0.02 . 2 . . . . 12 L HD21 . 17864 1 136 . 1 1 12 12 LEU HD23 H 1 0.830 0.02 . 2 . . . . 12 L HD21 . 17864 1 137 . 1 1 12 12 LEU C C 13 174.501 0.2 . 1 . . . . 12 L C . 17864 1 138 . 1 1 12 12 LEU CA C 13 53.611 0.2 . 1 . . . . 12 L CA . 17864 1 139 . 1 1 12 12 LEU CB C 13 45.143 0.2 . 1 . . . . 12 L CB . 17864 1 140 . 1 1 12 12 LEU CG C 13 27.716 0.2 . 1 . . . . 12 L CG . 17864 1 141 . 1 1 12 12 LEU CD1 C 13 27.442 0.2 . 1 . . . . 12 L CD1 . 17864 1 142 . 1 1 12 12 LEU CD2 C 13 25.802 0.2 . 1 . . . . 12 L CD2 . 17864 1 143 . 1 1 12 12 LEU N N 15 126.266 0.2 . 1 . . . . 12 L N . 17864 1 144 . 1 1 13 13 HIS H H 1 8.827 0.02 . 1 . . . . 13 H HN . 17864 1 145 . 1 1 13 13 HIS HA H 1 5.546 0.02 . 1 . . . . 13 H HA . 17864 1 146 . 1 1 13 13 HIS HB2 H 1 2.987 0.02 . 2 . . . . 13 H HB1 . 17864 1 147 . 1 1 13 13 HIS HB3 H 1 3.170 0.02 . 2 . . . . 13 H HB2 . 17864 1 148 . 1 1 13 13 HIS C C 13 174.931 0.2 . 1 . . . . 13 H C . 17864 1 149 . 1 1 13 13 HIS CA C 13 54.929 0.2 . 1 . . . . 13 H CA . 17864 1 150 . 1 1 13 13 HIS CB C 13 30.450 0.2 . 1 . . . . 13 H CB . 17864 1 151 . 1 1 13 13 HIS N N 15 124.284 0.2 . 1 . . . . 13 H N . 17864 1 152 . 1 1 14 14 MET H H 1 8.756 0.02 . 1 . . . . 14 M HN . 17864 1 153 . 1 1 14 14 MET HA H 1 4.660 0.02 . 1 . . . . 14 M HA . 17864 1 154 . 1 1 14 14 MET HB2 H 1 1.775 0.02 . 2 . . . . 14 M HB1 . 17864 1 155 . 1 1 14 14 MET HB3 H 1 1.832 0.02 . 2 . . . . 14 M HB2 . 17864 1 156 . 1 1 14 14 MET HG2 H 1 2.104 0.02 . 2 . . . . 14 M HG1 . 17864 1 157 . 1 1 14 14 MET HG3 H 1 2.175 0.02 . 2 . . . . 14 M HG2 . 17864 1 158 . 1 1 14 14 MET HE1 H 1 1.266 0.02 . 1 . . . . 14 M HE1 . 17864 1 159 . 1 1 14 14 MET HE2 H 1 1.266 0.02 . 1 . . . . 14 M HE1 . 17864 1 160 . 1 1 14 14 MET HE3 H 1 1.266 0.02 . 1 . . . . 14 M HE1 . 17864 1 161 . 1 1 14 14 MET C C 13 174.501 0.2 . 1 . . . . 14 M C . 17864 1 162 . 1 1 14 14 MET CA C 13 55.061 0.2 . 1 . . . . 14 M CA . 17864 1 163 . 1 1 14 14 MET CB C 13 36.191 0.2 . 1 . . . . 14 M CB . 17864 1 164 . 1 1 14 14 MET CG C 13 31.292 0.2 . 1 . . . . 14 M CG . 17864 1 165 . 1 1 14 14 MET CE C 13 17.600 0.2 . 1 . . . . 14 M CE . 17864 1 166 . 1 1 14 14 MET N N 15 123.505 0.2 . 1 . . . . 14 M N . 17864 1 167 . 1 1 15 15 ASP H H 1 9.246 0.02 . 1 . . . . 15 D HN . 17864 1 168 . 1 1 15 15 ASP HA H 1 4.332 0.02 . 1 . . . . 15 D HA . 17864 1 169 . 1 1 15 15 ASP HB2 H 1 3.001 0.02 . 2 . . . . 15 D HB1 . 17864 1 170 . 1 1 15 15 ASP HB3 H 1 3.001 0.02 . 2 . . . . 15 D HB2 . 17864 1 171 . 1 1 15 15 ASP C C 13 175.980 0.2 . 1 . . . . 15 D C . 17864 1 172 . 1 1 15 15 ASP CA C 13 55.248 0.2 . 1 . . . . 15 D CA . 17864 1 173 . 1 1 15 15 ASP CB C 13 39.305 0.2 . 1 . . . . 15 D CB . 17864 1 174 . 1 1 15 15 ASP N N 15 121.639 0.2 . 1 . . . . 15 D N . 17864 1 175 . 1 1 16 16 GLY H H 1 8.408 0.02 . 1 . . . . 16 G HN . 17864 1 176 . 1 1 16 16 GLY HA2 H 1 3.670 0.02 . 2 . . . . 16 G HA1 . 17864 1 177 . 1 1 16 16 GLY HA3 H 1 4.160 0.02 . 2 . . . . 16 G HA2 . 17864 1 178 . 1 1 16 16 GLY C C 13 173.588 0.2 . 1 . . . . 16 G C . 17864 1 179 . 1 1 16 16 GLY CA C 13 45.760 0.2 . 1 . . . . 16 G CA . 17864 1 180 . 1 1 16 16 GLY N N 15 103.879 0.2 . 1 . . . . 16 G N . 17864 1 181 . 1 1 17 17 GLU H H 1 7.802 0.02 . 1 . . . . 17 E HN . 17864 1 182 . 1 1 17 17 GLU HA H 1 4.511 0.02 . 1 . . . . 17 E HA . 17864 1 183 . 1 1 17 17 GLU HB2 H 1 1.583 0.02 . 2 . . . . 17 E HB1 . 17864 1 184 . 1 1 17 17 GLU HB3 H 1 1.702 0.02 . 2 . . . . 17 E HB2 . 17864 1 185 . 1 1 17 17 GLU HG2 H 1 1.903 0.02 . 2 . . . . 17 E HG1 . 17864 1 186 . 1 1 17 17 GLU HG3 H 1 1.995 0.02 . 2 . . . . 17 E HG2 . 17864 1 187 . 1 1 17 17 GLU C C 13 173.238 0.2 . 1 . . . . 17 E C . 17864 1 188 . 1 1 17 17 GLU CA C 13 54.265 0.2 . 1 . . . . 17 E CA . 17864 1 189 . 1 1 17 17 GLU CB C 13 33.401 0.2 . 1 . . . . 17 E CB . 17864 1 190 . 1 1 17 17 GLU CG C 13 36.075 0.2 . 1 . . . . 17 E CG . 17864 1 191 . 1 1 17 17 GLU N N 15 120.925 0.2 . 1 . . . . 17 E N . 17864 1 192 . 1 1 18 18 ASN H H 1 8.218 0.02 . 1 . . . . 18 N HN . 17864 1 193 . 1 1 18 18 ASN HA H 1 5.328 0.02 . 1 . . . . 18 N HA . 17864 1 194 . 1 1 18 18 ASN HB2 H 1 2.504 0.02 . 2 . . . . 18 N HB1 . 17864 1 195 . 1 1 18 18 ASN HB3 H 1 2.576 0.02 . 2 . . . . 18 N HB2 . 17864 1 196 . 1 1 18 18 ASN HD21 H 1 7.584 0.02 . 2 . . . . 18 N HD21 . 17864 1 197 . 1 1 18 18 ASN HD22 H 1 6.890 0.02 . 2 . . . . 18 N HD22 . 17864 1 198 . 1 1 18 18 ASN C C 13 174.609 0.2 . 1 . . . . 18 N C . 17864 1 199 . 1 1 18 18 ASN CA C 13 52.322 0.2 . 1 . . . . 18 N CA . 17864 1 200 . 1 1 18 18 ASN CB C 13 40.733 0.2 . 1 . . . . 18 N CB . 17864 1 201 . 1 1 18 18 ASN N N 15 117.855 0.2 . 1 . . . . 18 N N . 17864 1 202 . 1 1 18 18 ASN ND2 N 15 114.565 0.2 . 1 . . . . 18 N ND2 . 17864 1 203 . 1 1 19 19 PHE H H 1 9.224 0.02 . 1 . . . . 19 F HN . 17864 1 204 . 1 1 19 19 PHE HA H 1 4.883 0.02 . 1 . . . . 19 F HA . 17864 1 205 . 1 1 19 19 PHE HB2 H 1 2.835 0.02 . 2 . . . . 19 F HB1 . 17864 1 206 . 1 1 19 19 PHE HB3 H 1 2.921 0.02 . 2 . . . . 19 F HB2 . 17864 1 207 . 1 1 19 19 PHE C C 13 173.534 0.2 . 1 . . . . 19 F C . 17864 1 208 . 1 1 19 19 PHE CA C 13 57.429 0.2 . 1 . . . . 19 F CA . 17864 1 209 . 1 1 19 19 PHE CB C 13 40.880 0.2 . 1 . . . . 19 F CB . 17864 1 210 . 1 1 19 19 PHE N N 15 121.246 0.2 . 1 . . . . 19 F N . 17864 1 211 . 1 1 20 20 ARG H H 1 8.828 0.02 . 1 . . . . 20 R HN . 17864 1 212 . 1 1 20 20 ARG HA H 1 5.126 0.02 . 1 . . . . 20 R HA . 17864 1 213 . 1 1 20 20 ARG HB2 H 1 1.763 0.02 . 2 . . . . 20 R HB1 . 17864 1 214 . 1 1 20 20 ARG HB3 H 1 2.038 0.02 . 2 . . . . 20 R HB2 . 17864 1 215 . 1 1 20 20 ARG HG2 H 1 1.395 0.02 . 2 . . . . 20 R HG1 . 17864 1 216 . 1 1 20 20 ARG HG3 H 1 1.467 0.02 . 2 . . . . 20 R HG2 . 17864 1 217 . 1 1 20 20 ARG HD2 H 1 3.181 0.02 . 2 . . . . 20 R HD1 . 17864 1 218 . 1 1 20 20 ARG HD3 H 1 3.181 0.02 . 2 . . . . 20 R HD2 . 17864 1 219 . 1 1 20 20 ARG C C 13 174.985 0.2 . 1 . . . . 20 R C . 17864 1 220 . 1 1 20 20 ARG CA C 13 55.387 0.2 . 1 . . . . 20 R CA . 17864 1 221 . 1 1 20 20 ARG CB C 13 30.928 0.2 . 1 . . . . 20 R CB . 17864 1 222 . 1 1 20 20 ARG CG C 13 28.314 0.2 . 1 . . . . 20 R CG . 17864 1 223 . 1 1 20 20 ARG CD C 13 43.198 0.2 . 1 . . . . 20 R CD . 17864 1 224 . 1 1 20 20 ARG N N 15 125.634 0.2 . 1 . . . . 20 R N . 17864 1 225 . 1 1 21 21 ILE H H 1 9.750 0.02 . 1 . . . . 21 I HN . 17864 1 226 . 1 1 21 21 ILE HA H 1 5.261 0.02 . 1 . . . . 21 I HA . 17864 1 227 . 1 1 21 21 ILE HB H 1 2.173 0.02 . 1 . . . . 21 I HB . 17864 1 228 . 1 1 21 21 ILE HG12 H 1 1.203 0.02 . 1 . . . . 21 I HG11 . 17864 1 229 . 1 1 21 21 ILE HG13 H 1 1.553 0.02 . 1 . . . . 21 I HG12 . 17864 1 230 . 1 1 21 21 ILE HG21 H 1 0.861 0.02 . 1 . . . . 21 I HG21 . 17864 1 231 . 1 1 21 21 ILE HG22 H 1 0.861 0.02 . 1 . . . . 21 I HG21 . 17864 1 232 . 1 1 21 21 ILE HG23 H 1 0.861 0.02 . 1 . . . . 21 I HG21 . 17864 1 233 . 1 1 21 21 ILE HD11 H 1 0.814 0.02 . 1 . . . . 21 I HD11 . 17864 1 234 . 1 1 21 21 ILE HD12 H 1 0.814 0.02 . 1 . . . . 21 I HD11 . 17864 1 235 . 1 1 21 21 ILE HD13 H 1 0.814 0.02 . 1 . . . . 21 I HD11 . 17864 1 236 . 1 1 21 21 ILE C C 13 174.448 0.2 . 1 . . . . 21 I C . 17864 1 237 . 1 1 21 21 ILE CA C 13 59.409 0.2 . 1 . . . . 21 I CA . 17864 1 238 . 1 1 21 21 ILE CB C 13 39.463 0.2 . 1 . . . . 21 I CB . 17864 1 239 . 1 1 21 21 ILE CG1 C 13 28.262 0.2 . 1 . . . . 21 I CG1 . 17864 1 240 . 1 1 21 21 ILE CG2 C 13 17.604 0.2 . 1 . . . . 21 I CG2 . 17864 1 241 . 1 1 21 21 ILE CD1 C 13 13.772 0.2 . 1 . . . . 21 I CD1 . 17864 1 242 . 1 1 21 21 ILE N N 15 131.723 0.2 . 1 . . . . 21 I N . 17864 1 243 . 1 1 22 22 VAL H H 1 9.236 0.02 . 1 . . . . 22 V HN . 17864 1 244 . 1 1 22 22 VAL HA H 1 5.172 0.02 . 1 . . . . 22 V HA . 17864 1 245 . 1 1 22 22 VAL HB H 1 1.968 0.02 . 1 . . . . 22 V HB . 17864 1 246 . 1 1 22 22 VAL HG11 H 1 0.842 0.02 . 2 . . . . 22 V HG11 . 17864 1 247 . 1 1 22 22 VAL HG12 H 1 0.842 0.02 . 2 . . . . 22 V HG11 . 17864 1 248 . 1 1 22 22 VAL HG13 H 1 0.842 0.02 . 2 . . . . 22 V HG11 . 17864 1 249 . 1 1 22 22 VAL HG21 H 1 0.942 0.02 . 2 . . . . 22 V HG21 . 17864 1 250 . 1 1 22 22 VAL HG22 H 1 0.942 0.02 . 2 . . . . 22 V HG21 . 17864 1 251 . 1 1 22 22 VAL HG23 H 1 0.942 0.02 . 2 . . . . 22 V HG21 . 17864 1 252 . 1 1 22 22 VAL C C 13 174.716 0.2 . 1 . . . . 22 V C . 17864 1 253 . 1 1 22 22 VAL CA C 13 60.657 0.2 . 1 . . . . 22 V CA . 17864 1 254 . 1 1 22 22 VAL CB C 13 36.191 0.2 . 1 . . . . 22 V CB . 17864 1 255 . 1 1 22 22 VAL CG1 C 13 21.153 0.2 . 1 . . . . 22 V CG1 . 17864 1 256 . 1 1 22 22 VAL CG2 C 13 21.427 0.2 . 1 . . . . 22 V CG2 . 17864 1 257 . 1 1 22 22 VAL N N 15 127.056 0.2 . 1 . . . . 22 V N . 17864 1 258 . 1 1 23 23 LEU H H 1 9.108 0.02 . 1 . . . . 23 L HN . 17864 1 259 . 1 1 23 23 LEU HA H 1 5.333 0.02 . 1 . . . . 23 L HA . 17864 1 260 . 1 1 23 23 LEU HB2 H 1 1.535 0.02 . 2 . . . . 23 L HB1 . 17864 1 261 . 1 1 23 23 LEU HB3 H 1 1.992 0.02 . 2 . . . . 23 L HB2 . 17864 1 262 . 1 1 23 23 LEU HD11 H 1 0.825 0.02 . 2 . . . . 23 L HD11 . 17864 1 263 . 1 1 23 23 LEU HD12 H 1 0.825 0.02 . 2 . . . . 23 L HD11 . 17864 1 264 . 1 1 23 23 LEU HD13 H 1 0.825 0.02 . 2 . . . . 23 L HD11 . 17864 1 265 . 1 1 23 23 LEU HD21 H 1 0.650 0.02 . 2 . . . . 23 L HD21 . 17864 1 266 . 1 1 23 23 LEU HD22 H 1 0.650 0.02 . 2 . . . . 23 L HD21 . 17864 1 267 . 1 1 23 23 LEU HD23 H 1 0.650 0.02 . 2 . . . . 23 L HD21 . 17864 1 268 . 1 1 23 23 LEU C C 13 175.791 0.2 . 1 . . . . 23 L C . 17864 1 269 . 1 1 23 23 LEU CA C 13 52.892 0.2 . 1 . . . . 23 L CA . 17864 1 270 . 1 1 23 23 LEU CB C 13 46.665 0.2 . 1 . . . . 23 L CB . 17864 1 271 . 1 1 23 23 LEU CD1 C 13 22.686 0.2 . 1 . . . . 23 L CD1 . 17864 1 272 . 1 1 23 23 LEU CD2 C 13 26.669 0.2 . 1 . . . . 23 L CD2 . 17864 1 273 . 1 1 23 23 LEU N N 15 127.335 0.2 . 1 . . . . 23 L N . 17864 1 274 . 1 1 24 24 GLU H H 1 9.091 0.02 . 1 . . . . 24 E HN . 17864 1 275 . 1 1 24 24 GLU HA H 1 4.774 0.02 . 1 . . . . 24 E HA . 17864 1 276 . 1 1 24 24 GLU HB2 H 1 2.135 0.02 . 2 . . . . 24 E HB1 . 17864 1 277 . 1 1 24 24 GLU HB3 H 1 2.404 0.02 . 2 . . . . 24 E HB2 . 17864 1 278 . 1 1 24 24 GLU HG2 H 1 2.151 0.02 . 2 . . . . 24 E HG1 . 17864 1 279 . 1 1 24 24 GLU HG3 H 1 2.389 0.02 . 2 . . . . 24 E HG2 . 17864 1 280 . 1 1 24 24 GLU C C 13 177.082 0.2 . 1 . . . . 24 E C . 17864 1 281 . 1 1 24 24 GLU CA C 13 55.488 0.2 . 1 . . . . 24 E CA . 17864 1 282 . 1 1 24 24 GLU CB C 13 30.450 0.2 . 1 . . . . 24 E CB . 17864 1 283 . 1 1 24 24 GLU CG C 13 36.660 0.2 . 1 . . . . 24 E CG . 17864 1 284 . 1 1 24 24 GLU N N 15 127.836 0.2 . 1 . . . . 24 E N . 17864 1 285 . 1 1 25 25 LYS H H 1 8.183 0.02 . 1 . . . . 25 K HN . 17864 1 286 . 1 1 25 25 LYS HA H 1 3.864 0.02 . 1 . . . . 25 K HA . 17864 1 287 . 1 1 25 25 LYS HB2 H 1 1.749 0.02 . 2 . . . . 25 K HB1 . 17864 1 288 . 1 1 25 25 LYS HB3 H 1 1.749 0.02 . 2 . . . . 25 K HB2 . 17864 1 289 . 1 1 25 25 LYS HG2 H 1 1.185 0.02 . 2 . . . . 25 K HG1 . 17864 1 290 . 1 1 25 25 LYS HG3 H 1 1.282 0.02 . 2 . . . . 25 K HG2 . 17864 1 291 . 1 1 25 25 LYS HD2 H 1 1.633 0.02 . 2 . . . . 25 K HD1 . 17864 1 292 . 1 1 25 25 LYS HD3 H 1 1.633 0.02 . 2 . . . . 25 K HD2 . 17864 1 293 . 1 1 25 25 LYS HE2 H 1 2.818 0.02 . 2 . . . . 25 K HE1 . 17864 1 294 . 1 1 25 25 LYS HE3 H 1 2.872 0.02 . 2 . . . . 25 K HE2 . 17864 1 295 . 1 1 25 25 LYS C C 13 177.001 0.2 . 1 . . . . 25 K C . 17864 1 296 . 1 1 25 25 LYS CA C 13 59.978 0.2 . 1 . . . . 25 K CA . 17864 1 297 . 1 1 25 25 LYS CB C 13 32.910 0.2 . 1 . . . . 25 K CB . 17864 1 298 . 1 1 25 25 LYS CG C 13 25.443 0.2 . 1 . . . . 25 K CG . 17864 1 299 . 1 1 25 25 LYS CD C 13 29.482 0.2 . 1 . . . . 25 K CD . 17864 1 300 . 1 1 25 25 LYS CE C 13 42.206 0.2 . 1 . . . . 25 K CE . 17864 1 301 . 1 1 25 25 LYS N N 15 123.497 0.2 . 1 . . . . 25 K N . 17864 1 302 . 1 1 26 26 ASP H H 1 8.898 0.02 . 1 . . . . 26 D HN . 17864 1 303 . 1 1 26 26 ASP HA H 1 4.407 0.02 . 1 . . . . 26 D HA . 17864 1 304 . 1 1 26 26 ASP HB2 H 1 2.719 0.02 . 2 . . . . 26 D HB1 . 17864 1 305 . 1 1 26 26 ASP HB3 H 1 2.814 0.02 . 2 . . . . 26 D HB2 . 17864 1 306 . 1 1 26 26 ASP C C 13 177.404 0.2 . 1 . . . . 26 D C . 17864 1 307 . 1 1 26 26 ASP CA C 13 57.346 0.2 . 1 . . . . 26 D CA . 17864 1 308 . 1 1 26 26 ASP CB C 13 40.019 0.2 . 1 . . . . 26 D CB . 17864 1 309 . 1 1 26 26 ASP N N 15 119.492 0.2 . 1 . . . . 26 D N . 17864 1 310 . 1 1 27 27 ALA H H 1 8.038 0.02 . 1 . . . . 27 A HN . 17864 1 311 . 1 1 27 27 ALA HA H 1 4.363 0.02 . 1 . . . . 27 A HA . 17864 1 312 . 1 1 27 27 ALA HB1 H 1 1.375 0.02 . 1 . . . . 27 A HB1 . 17864 1 313 . 1 1 27 27 ALA HB2 H 1 1.375 0.02 . 1 . . . . 27 A HB1 . 17864 1 314 . 1 1 27 27 ALA HB3 H 1 1.375 0.02 . 1 . . . . 27 A HB1 . 17864 1 315 . 1 1 27 27 ALA C C 13 176.947 0.2 . 1 . . . . 27 A C . 17864 1 316 . 1 1 27 27 ALA CA C 13 51.864 0.2 . 1 . . . . 27 A CA . 17864 1 317 . 1 1 27 27 ALA CB C 13 19.824 0.2 . 1 . . . . 27 A CB . 17864 1 318 . 1 1 27 27 ALA N N 15 119.805 0.2 . 1 . . . . 27 A N . 17864 1 319 . 1 1 28 28 MET H H 1 7.990 0.02 . 1 . . . . 28 M HN . 17864 1 320 . 1 1 28 28 MET HA H 1 4.144 0.02 . 1 . . . . 28 M HA . 17864 1 321 . 1 1 28 28 MET HB2 H 1 2.110 0.02 . 2 . . . . 28 M HB1 . 17864 1 322 . 1 1 28 28 MET HB3 H 1 2.216 0.02 . 2 . . . . 28 M HB2 . 17864 1 323 . 1 1 28 28 MET HG2 H 1 2.475 0.02 . 2 . . . . 28 M HG1 . 17864 1 324 . 1 1 28 28 MET HG3 H 1 2.699 0.02 . 2 . . . . 28 M HG2 . 17864 1 325 . 1 1 28 28 MET HE1 H 1 1.884 0.02 . 1 . . . . 28 M HE1 . 17864 1 326 . 1 1 28 28 MET HE2 H 1 1.884 0.02 . 1 . . . . 28 M HE1 . 17864 1 327 . 1 1 28 28 MET HE3 H 1 1.884 0.02 . 1 . . . . 28 M HE1 . 17864 1 328 . 1 1 28 28 MET C C 13 175.308 0.2 . 1 . . . . 28 M C . 17864 1 329 . 1 1 28 28 MET CA C 13 54.673 0.2 . 1 . . . . 28 M CA . 17864 1 330 . 1 1 28 28 MET CB C 13 26.895 0.2 . 1 . . . . 28 M CB . 17864 1 331 . 1 1 28 28 MET CG C 13 32.364 0.2 . 1 . . . . 28 M CG . 17864 1 332 . 1 1 28 28 MET CE C 13 15.960 0.2 . 1 . . . . 28 M CE . 17864 1 333 . 1 1 28 28 MET N N 15 113.987 0.2 . 1 . . . . 28 M N . 17864 1 334 . 1 1 29 29 ASP H H 1 7.197 0.02 . 1 . . . . 29 D HN . 17864 1 335 . 1 1 29 29 ASP HA H 1 4.739 0.02 . 1 . . . . 29 D HA . 17864 1 336 . 1 1 29 29 ASP HB2 H 1 2.164 0.02 . 2 . . . . 29 D HB1 . 17864 1 337 . 1 1 29 29 ASP HB3 H 1 2.588 0.02 . 2 . . . . 29 D HB2 . 17864 1 338 . 1 1 29 29 ASP C C 13 174.475 0.2 . 1 . . . . 29 D C . 17864 1 339 . 1 1 29 29 ASP CA C 13 53.422 0.2 . 1 . . . . 29 D CA . 17864 1 340 . 1 1 29 29 ASP CB C 13 43.847 0.2 . 1 . . . . 29 D CB . 17864 1 341 . 1 1 29 29 ASP N N 15 117.424 0.2 . 1 . . . . 29 D N . 17864 1 342 . 1 1 30 30 VAL H H 1 8.768 0.02 . 1 . . . . 30 V HN . 17864 1 343 . 1 1 30 30 VAL HA H 1 4.675 0.02 . 1 . . . . 30 V HA . 17864 1 344 . 1 1 30 30 VAL HB H 1 1.183 0.02 . 1 . . . . 30 V HB . 17864 1 345 . 1 1 30 30 VAL HG11 H 1 -0.021 0.02 . 2 . . . . 30 V HG11 . 17864 1 346 . 1 1 30 30 VAL HG12 H 1 -0.021 0.02 . 2 . . . . 30 V HG11 . 17864 1 347 . 1 1 30 30 VAL HG13 H 1 -0.021 0.02 . 2 . . . . 30 V HG11 . 17864 1 348 . 1 1 30 30 VAL HG21 H 1 0.521 0.02 . 2 . . . . 30 V HG21 . 17864 1 349 . 1 1 30 30 VAL HG22 H 1 0.521 0.02 . 2 . . . . 30 V HG21 . 17864 1 350 . 1 1 30 30 VAL HG23 H 1 0.521 0.02 . 2 . . . . 30 V HG21 . 17864 1 351 . 1 1 30 30 VAL C C 13 173.695 0.2 . 1 . . . . 30 V C . 17864 1 352 . 1 1 30 30 VAL CA C 13 61.064 0.2 . 1 . . . . 30 V CA . 17864 1 353 . 1 1 30 30 VAL CB C 13 33.457 0.2 . 1 . . . . 30 V CB . 17864 1 354 . 1 1 30 30 VAL CG1 C 13 21.154 0.2 . 1 . . . . 30 V CG1 . 17864 1 355 . 1 1 30 30 VAL CG2 C 13 21.701 0.2 . 1 . . . . 30 V CG2 . 17864 1 356 . 1 1 30 30 VAL N N 15 122.049 0.2 . 1 . . . . 30 V N . 17864 1 357 . 1 1 31 31 TRP H H 1 9.296 0.02 . 1 . . . . 31 W HN . 17864 1 358 . 1 1 31 31 TRP HA H 1 5.057 0.02 . 1 . . . . 31 W HA . 17864 1 359 . 1 1 31 31 TRP HB2 H 1 2.905 0.02 . 2 . . . . 31 W HB1 . 17864 1 360 . 1 1 31 31 TRP HB3 H 1 3.069 0.02 . 2 . . . . 31 W HB2 . 17864 1 361 . 1 1 31 31 TRP HE1 H 1 10.410 0.02 . 1 . . . . 31 W HE1 . 17864 1 362 . 1 1 31 31 TRP C C 13 176.007 0.2 . 1 . . . . 31 W C . 17864 1 363 . 1 1 31 31 TRP CA C 13 55.133 0.2 . 1 . . . . 31 W CA . 17864 1 364 . 1 1 31 31 TRP CB C 13 31.779 0.2 . 1 . . . . 31 W CB . 17864 1 365 . 1 1 31 31 TRP N N 15 126.870 0.2 . 1 . . . . 31 W N . 17864 1 366 . 1 1 31 31 TRP NE1 N 15 130.934 0.2 . 1 . . . . 31 W NE1 . 17864 1 367 . 1 1 32 32 CYS H H 1 9.530 0.02 . 1 . . . . 32 C HN . 17864 1 368 . 1 1 32 32 CYS HA H 1 5.489 0.02 . 1 . . . . 32 C HA . 17864 1 369 . 1 1 32 32 CYS HB2 H 1 2.392 0.02 . 2 . . . . 32 C HB1 . 17864 1 370 . 1 1 32 32 CYS HB3 H 1 2.937 0.02 . 2 . . . . 32 C HB2 . 17864 1 371 . 1 1 32 32 CYS C C 13 175.281 0.2 . 1 . . . . 32 C C . 17864 1 372 . 1 1 32 32 CYS CA C 13 56.361 0.2 . 1 . . . . 32 C CA . 17864 1 373 . 1 1 32 32 CYS CB C 13 28.127 0.2 . 1 . . . . 32 C CB . 17864 1 374 . 1 1 32 32 CYS N N 15 121.009 0.2 . 1 . . . . 32 C N . 17864 1 375 . 1 1 33 33 ASN H H 1 9.787 0.02 . 1 . . . . 33 N HN . 17864 1 376 . 1 1 33 33 ASN HA H 1 4.728 0.02 . 1 . . . . 33 N HA . 17864 1 377 . 1 1 33 33 ASN HB2 H 1 3.160 0.02 . 2 . . . . 33 N HB1 . 17864 1 378 . 1 1 33 33 ASN HB3 H 1 3.366 0.02 . 2 . . . . 33 N HB2 . 17864 1 379 . 1 1 33 33 ASN HD21 H 1 7.997 0.02 . 2 . . . . 33 N HD21 . 17864 1 380 . 1 1 33 33 ASN HD22 H 1 7.137 0.02 . 2 . . . . 33 N HD22 . 17864 1 381 . 1 1 33 33 ASN C C 13 175.630 0.2 . 1 . . . . 33 N C . 17864 1 382 . 1 1 33 33 ASN CA C 13 54.166 0.2 . 1 . . . . 33 N CA . 17864 1 383 . 1 1 33 33 ASN CB C 13 36.423 0.2 . 1 . . . . 33 N CB . 17864 1 384 . 1 1 33 33 ASN N N 15 130.930 0.2 . 1 . . . . 33 N N . 17864 1 385 . 1 1 33 33 ASN ND2 N 15 112.770 0.2 . 1 . . . . 33 N ND2 . 17864 1 386 . 1 1 34 34 GLY H H 1 9.109 0.02 . 1 . . . . 34 G HN . 17864 1 387 . 1 1 34 34 GLY HA2 H 1 3.779 0.02 . 2 . . . . 34 G HA1 . 17864 1 388 . 1 1 34 34 GLY HA3 H 1 4.308 0.02 . 2 . . . . 34 G HA2 . 17864 1 389 . 1 1 34 34 GLY C C 13 173.641 0.2 . 1 . . . . 34 G C . 17864 1 390 . 1 1 34 34 GLY CA C 13 45.560 0.2 . 1 . . . . 34 G CA . 17864 1 391 . 1 1 34 34 GLY N N 15 102.344 0.2 . 1 . . . . 34 G N . 17864 1 392 . 1 1 35 35 LYS H H 1 8.004 0.02 . 1 . . . . 35 K HN . 17864 1 393 . 1 1 35 35 LYS HA H 1 4.822 0.02 . 1 . . . . 35 K HA . 17864 1 394 . 1 1 35 35 LYS HB2 H 1 1.916 0.02 . 2 . . . . 35 K HB1 . 17864 1 395 . 1 1 35 35 LYS HB3 H 1 1.876 0.02 . 2 . . . . 35 K HB2 . 17864 1 396 . 1 1 35 35 LYS HG2 H 1 1.459 0.02 . 2 . . . . 35 K HG1 . 17864 1 397 . 1 1 35 35 LYS HG3 H 1 1.531 0.02 . 2 . . . . 35 K HG2 . 17864 1 398 . 1 1 35 35 LYS HD2 H 1 1.789 0.02 . 2 . . . . 35 K HD1 . 17864 1 399 . 1 1 35 35 LYS HD3 H 1 1.789 0.02 . 2 . . . . 35 K HD2 . 17864 1 400 . 1 1 35 35 LYS HE2 H 1 3.105 0.02 . 2 . . . . 35 K HE1 . 17864 1 401 . 1 1 35 35 LYS HE3 H 1 3.105 0.02 . 2 . . . . 35 K HE2 . 17864 1 402 . 1 1 35 35 LYS C C 13 174.770 0.2 . 1 . . . . 35 K C . 17864 1 403 . 1 1 35 35 LYS CA C 13 54.637 0.2 . 1 . . . . 35 K CA . 17864 1 404 . 1 1 35 35 LYS CB C 13 34.586 0.2 . 1 . . . . 35 K CB . 17864 1 405 . 1 1 35 35 LYS CG C 13 24.753 0.2 . 1 . . . . 35 K CG . 17864 1 406 . 1 1 35 35 LYS CD C 13 29.086 0.2 . 1 . . . . 35 K CD . 17864 1 407 . 1 1 35 35 LYS CE C 13 42.369 0.2 . 1 . . . . 35 K CE . 17864 1 408 . 1 1 35 35 LYS N N 15 121.240 0.2 . 1 . . . . 35 K N . 17864 1 409 . 1 1 36 36 LYS H H 1 8.545 0.02 . 1 . . . . 36 K HN . 17864 1 410 . 1 1 36 36 LYS HA H 1 3.482 0.02 . 1 . . . . 36 K HA . 17864 1 411 . 1 1 36 36 LYS HB2 H 1 0.325 0.02 . 2 . . . . 36 K HB1 . 17864 1 412 . 1 1 36 36 LYS HB3 H 1 1.199 0.02 . 2 . . . . 36 K HB2 . 17864 1 413 . 1 1 36 36 LYS HG2 H 1 0.113 0.02 . 2 . . . . 36 K HG1 . 17864 1 414 . 1 1 36 36 LYS HG3 H 1 0.736 0.02 . 2 . . . . 36 K HG2 . 17864 1 415 . 1 1 36 36 LYS HD2 H 1 1.232 0.02 . 2 . . . . 36 K HD1 . 17864 1 416 . 1 1 36 36 LYS HD3 H 1 1.266 0.02 . 2 . . . . 36 K HD2 . 17864 1 417 . 1 1 36 36 LYS HE2 H 1 2.582 0.02 . 2 . . . . 36 K HE1 . 17864 1 418 . 1 1 36 36 LYS HE3 H 1 2.733 0.02 . 2 . . . . 36 K HE2 . 17864 1 419 . 1 1 36 36 LYS C C 13 176.920 0.2 . 1 . . . . 36 K C . 17864 1 420 . 1 1 36 36 LYS CA C 13 57.010 0.2 . 1 . . . . 36 K CA . 17864 1 421 . 1 1 36 36 LYS CB C 13 31.666 0.2 . 1 . . . . 36 K CB . 17864 1 422 . 1 1 36 36 LYS CG C 13 24.778 0.2 . 1 . . . . 36 K CG . 17864 1 423 . 1 1 36 36 LYS CD C 13 28.939 0.2 . 1 . . . . 36 K CD . 17864 1 424 . 1 1 36 36 LYS CE C 13 42.203 0.2 . 1 . . . . 36 K CE . 17864 1 425 . 1 1 36 36 LYS N N 15 128.223 0.2 . 1 . . . . 36 K N . 17864 1 426 . 1 1 37 37 LEU H H 1 8.619 0.02 . 1 . . . . 37 L HN . 17864 1 427 . 1 1 37 37 LEU HA H 1 4.425 0.02 . 1 . . . . 37 L HA . 17864 1 428 . 1 1 37 37 LEU HB2 H 1 1.234 0.02 . 2 . . . . 37 L HB1 . 17864 1 429 . 1 1 37 37 LEU HB3 H 1 1.234 0.02 . 2 . . . . 37 L HB2 . 17864 1 430 . 1 1 37 37 LEU HG H 1 1.429 0.02 . 1 . . . . 37 L HG . 17864 1 431 . 1 1 37 37 LEU HD11 H 1 0.831 0.02 . 2 . . . . 37 L HD11 . 17864 1 432 . 1 1 37 37 LEU HD12 H 1 0.831 0.02 . 2 . . . . 37 L HD11 . 17864 1 433 . 1 1 37 37 LEU HD13 H 1 0.831 0.02 . 2 . . . . 37 L HD11 . 17864 1 434 . 1 1 37 37 LEU HD21 H 1 0.465 0.02 . 2 . . . . 37 L HD21 . 17864 1 435 . 1 1 37 37 LEU HD22 H 1 0.465 0.02 . 2 . . . . 37 L HD21 . 17864 1 436 . 1 1 37 37 LEU HD23 H 1 0.465 0.02 . 2 . . . . 37 L HD21 . 17864 1 437 . 1 1 37 37 LEU C C 13 177.055 0.2 . 1 . . . . 37 L C . 17864 1 438 . 1 1 37 37 LEU CA C 13 53.963 0.2 . 1 . . . . 37 L CA . 17864 1 439 . 1 1 37 37 LEU CB C 13 42.753 0.2 . 1 . . . . 37 L CB . 17864 1 440 . 1 1 37 37 LEU CG C 13 26.670 0.2 . 1 . . . . 37 L CG . 17864 1 441 . 1 1 37 37 LEU CD1 C 13 22.178 0.2 . 1 . . . . 37 L CD1 . 17864 1 442 . 1 1 37 37 LEU CD2 C 13 26.622 0.2 . 1 . . . . 37 L CD2 . 17864 1 443 . 1 1 37 37 LEU N N 15 127.796 0.2 . 1 . . . . 37 L N . 17864 1 444 . 1 1 38 38 GLU H H 1 8.519 0.02 . 1 . . . . 38 E HN . 17864 1 445 . 1 1 38 38 GLU HA H 1 4.398 0.02 . 1 . . . . 38 E HA . 17864 1 446 . 1 1 38 38 GLU HB2 H 1 1.976 0.02 . 2 . . . . 38 E HB1 . 17864 1 447 . 1 1 38 38 GLU HB3 H 1 2.056 0.02 . 2 . . . . 38 E HB2 . 17864 1 448 . 1 1 38 38 GLU HG2 H 1 2.263 0.02 . 2 . . . . 38 E HG1 . 17864 1 449 . 1 1 38 38 GLU HG3 H 1 2.345 0.02 . 2 . . . . 38 E HG2 . 17864 1 450 . 1 1 38 38 GLU C C 13 176.490 0.2 . 1 . . . . 38 E C . 17864 1 451 . 1 1 38 38 GLU CA C 13 56.370 0.2 . 1 . . . . 38 E CA . 17864 1 452 . 1 1 38 38 GLU CB C 13 29.630 0.2 . 1 . . . . 38 E CB . 17864 1 453 . 1 1 38 38 GLU CG C 13 36.432 0.2 . 1 . . . . 38 E CG . 17864 1 454 . 1 1 38 38 GLU N N 15 122.076 0.2 . 1 . . . . 38 E N . 17864 1 455 . 1 1 39 39 THR H H 1 8.236 0.02 . 1 . . . . 39 T HN . 17864 1 456 . 1 1 39 39 THR HA H 1 5.294 0.02 . 1 . . . . 39 T HA . 17864 1 457 . 1 1 39 39 THR HB H 1 4.231 0.02 . 1 . . . . 39 T HB . 17864 1 458 . 1 1 39 39 THR HG21 H 1 0.932 0.02 . 1 . . . . 39 T HG21 . 17864 1 459 . 1 1 39 39 THR HG22 H 1 0.932 0.02 . 1 . . . . 39 T HG21 . 17864 1 460 . 1 1 39 39 THR HG23 H 1 0.932 0.02 . 1 . . . . 39 T HG21 . 17864 1 461 . 1 1 39 39 THR C C 13 174.071 0.2 . 1 . . . . 39 T C . 17864 1 462 . 1 1 39 39 THR CA C 13 59.413 0.2 . 1 . . . . 39 T CA . 17864 1 463 . 1 1 39 39 THR CB C 13 72.281 0.2 . 1 . . . . 39 T CB . 17864 1 464 . 1 1 39 39 THR CG2 C 13 21.528 0.2 . 1 . . . . 39 T CG2 . 17864 1 465 . 1 1 39 39 THR N N 15 114.136 0.2 . 1 . . . . 39 T N . 17864 1 466 . 1 1 40 40 ALA H H 1 8.723 0.02 . 1 . . . . 40 A HN . 17864 1 467 . 1 1 40 40 ALA HA H 1 4.770 0.02 . 1 . . . . 40 A HA . 17864 1 468 . 1 1 40 40 ALA HB1 H 1 1.409 0.02 . 1 . . . . 40 A HB1 . 17864 1 469 . 1 1 40 40 ALA HB2 H 1 1.409 0.02 . 1 . . . . 40 A HB1 . 17864 1 470 . 1 1 40 40 ALA HB3 H 1 1.409 0.02 . 1 . . . . 40 A HB1 . 17864 1 471 . 1 1 40 40 ALA C C 13 177.001 0.2 . 1 . . . . 40 A C . 17864 1 472 . 1 1 40 40 ALA CA C 13 51.604 0.2 . 1 . . . . 40 A CA . 17864 1 473 . 1 1 40 40 ALA CB C 13 21.286 0.2 . 1 . . . . 40 A CB . 17864 1 474 . 1 1 40 40 ALA N N 15 123.157 0.2 . 1 . . . . 40 A N . 17864 1 475 . 1 1 41 41 GLY H H 1 8.806 0.02 . 1 . . . . 41 G HN . 17864 1 476 . 1 1 41 41 GLY HA2 H 1 4.727 0.02 . 2 . . . . 41 G HA1 . 17864 1 477 . 1 1 41 41 GLY HA3 H 1 4.907 0.02 . 2 . . . . 41 G HA2 . 17864 1 478 . 1 1 41 41 GLY C C 13 173.614 0.2 . 1 . . . . 41 G C . 17864 1 479 . 1 1 41 41 GLY CA C 13 45.061 0.2 . 1 . . . . 41 G CA . 17864 1 480 . 1 1 41 41 GLY N N 15 112.065 0.2 . 1 . . . . 41 G N . 17864 1 481 . 1 1 42 42 GLU H H 1 8.768 0.02 . 1 . . . . 42 E HN . 17864 1 482 . 1 1 42 42 GLU HA H 1 4.590 0.02 . 1 . . . . 42 E HA . 17864 1 483 . 1 1 42 42 GLU HB2 H 1 1.816 0.02 . 2 . . . . 42 E HB1 . 17864 1 484 . 1 1 42 42 GLU HB3 H 1 2.006 0.02 . 2 . . . . 42 E HB2 . 17864 1 485 . 1 1 42 42 GLU HG2 H 1 2.097 0.02 . 2 . . . . 42 E HG1 . 17864 1 486 . 1 1 42 42 GLU HG3 H 1 2.097 0.02 . 2 . . . . 42 E HG2 . 17864 1 487 . 1 1 42 42 GLU C C 13 175.281 0.2 . 1 . . . . 42 E C . 17864 1 488 . 1 1 42 42 GLU CA C 13 55.068 0.2 . 1 . . . . 42 E CA . 17864 1 489 . 1 1 42 42 GLU CB C 13 32.768 0.2 . 1 . . . . 42 E CB . 17864 1 490 . 1 1 42 42 GLU CG C 13 35.660 0.2 . 1 . . . . 42 E CG . 17864 1 491 . 1 1 42 42 GLU N N 15 122.075 0.2 . 1 . . . . 42 E N . 17864 1 492 . 1 1 43 43 PHE H H 1 8.904 0.02 . 1 . . . . 43 F HN . 17864 1 493 . 1 1 43 43 PHE HA H 1 4.821 0.02 . 1 . . . . 43 F HA . 17864 1 494 . 1 1 43 43 PHE HB2 H 1 2.997 0.02 . 2 . . . . 43 F HB1 . 17864 1 495 . 1 1 43 43 PHE HB3 H 1 3.187 0.02 . 2 . . . . 43 F HB2 . 17864 1 496 . 1 1 43 43 PHE C C 13 175.523 0.2 . 1 . . . . 43 F C . 17864 1 497 . 1 1 43 43 PHE CA C 13 58.265 0.2 . 1 . . . . 43 F CA . 17864 1 498 . 1 1 43 43 PHE CB C 13 39.002 0.2 . 1 . . . . 43 F CB . 17864 1 499 . 1 1 43 43 PHE N N 15 123.834 0.2 . 1 . . . . 43 F N . 17864 1 500 . 1 1 44 44 VAL H H 1 8.103 0.02 . 1 . . . . 44 V HN . 17864 1 501 . 1 1 44 44 VAL HA H 1 4.494 0.02 . 1 . . . . 44 V HA . 17864 1 502 . 1 1 44 44 VAL HB H 1 2.191 0.02 . 1 . . . . 44 V HB . 17864 1 503 . 1 1 44 44 VAL HG11 H 1 0.744 0.02 . 2 . . . . 44 V HG11 . 17864 1 504 . 1 1 44 44 VAL HG12 H 1 0.744 0.02 . 2 . . . . 44 V HG11 . 17864 1 505 . 1 1 44 44 VAL HG13 H 1 0.744 0.02 . 2 . . . . 44 V HG11 . 17864 1 506 . 1 1 44 44 VAL HG21 H 1 0.836 0.02 . 2 . . . . 44 V HG21 . 17864 1 507 . 1 1 44 44 VAL HG22 H 1 0.836 0.02 . 2 . . . . 44 V HG21 . 17864 1 508 . 1 1 44 44 VAL HG23 H 1 0.836 0.02 . 2 . . . . 44 V HG21 . 17864 1 509 . 1 1 44 44 VAL C C 13 176.275 0.2 . 1 . . . . 44 V C . 17864 1 510 . 1 1 44 44 VAL CA C 13 60.499 0.2 . 1 . . . . 44 V CA . 17864 1 511 . 1 1 44 44 VAL CB C 13 34.277 0.2 . 1 . . . . 44 V CB . 17864 1 512 . 1 1 44 44 VAL CG1 C 13 19.665 0.2 . 1 . . . . 44 V CG1 . 17864 1 513 . 1 1 44 44 VAL CG2 C 13 21.722 0.2 . 1 . . . . 44 V CG2 . 17864 1 514 . 1 1 44 44 VAL N N 15 120.014 0.2 . 1 . . . . 44 V N . 17864 1 515 . 1 1 45 45 ASP H H 1 8.586 0.02 . 1 . . . . 45 D HN . 17864 1 516 . 1 1 45 45 ASP HA H 1 4.319 0.02 . 1 . . . . 45 D HA . 17864 1 517 . 1 1 45 45 ASP HB2 H 1 2.684 0.02 . 2 . . . . 45 D HB1 . 17864 1 518 . 1 1 45 45 ASP HB3 H 1 2.684 0.02 . 2 . . . . 45 D HB2 . 17864 1 519 . 1 1 45 45 ASP C C 13 176.544 0.2 . 1 . . . . 45 D C . 17864 1 520 . 1 1 45 45 ASP CA C 13 57.124 0.2 . 1 . . . . 45 D CA . 17864 1 521 . 1 1 45 45 ASP CB C 13 40.287 0.2 . 1 . . . . 45 D CB . 17864 1 522 . 1 1 45 45 ASP N N 15 122.164 0.2 . 1 . . . . 45 D N . 17864 1 523 . 1 1 46 46 ASP H H 1 8.301 0.02 . 1 . . . . 46 D HN . 17864 1 524 . 1 1 46 46 ASP HA H 1 4.676 0.02 . 1 . . . . 46 D HA . 17864 1 525 . 1 1 46 46 ASP HB2 H 1 2.707 0.02 . 2 . . . . 46 D HB1 . 17864 1 526 . 1 1 46 46 ASP HB3 H 1 2.915 0.02 . 2 . . . . 46 D HB2 . 17864 1 527 . 1 1 46 46 ASP C C 13 175.899 0.2 . 1 . . . . 46 D C . 17864 1 528 . 1 1 46 46 ASP CA C 13 53.647 0.2 . 1 . . . . 46 D CA . 17864 1 529 . 1 1 46 46 ASP CB C 13 40.291 0.2 . 1 . . . . 46 D CB . 17864 1 530 . 1 1 46 46 ASP N N 15 116.301 0.2 . 1 . . . . 46 D N . 17864 1 531 . 1 1 47 47 GLY H H 1 7.672 0.02 . 1 . . . . 47 G HN . 17864 1 532 . 1 1 47 47 GLY HA2 H 1 4.065 0.02 . 2 . . . . 47 G HA1 . 17864 1 533 . 1 1 47 47 GLY HA3 H 1 4.671 0.02 . 2 . . . . 47 G HA2 . 17864 1 534 . 1 1 47 47 GLY C C 13 173.292 0.2 . 1 . . . . 47 G C . 17864 1 535 . 1 1 47 47 GLY CA C 13 46.034 0.2 . 1 . . . . 47 G CA . 17864 1 536 . 1 1 47 47 GLY N N 15 107.841 0.2 . 1 . . . . 47 G N . 17864 1 537 . 1 1 48 48 THR H H 1 8.433 0.02 . 1 . . . . 48 T HN . 17864 1 538 . 1 1 48 48 THR HA H 1 4.961 0.02 . 1 . . . . 48 T HA . 17864 1 539 . 1 1 48 48 THR HB H 1 4.160 0.02 . 1 . . . . 48 T HB . 17864 1 540 . 1 1 48 48 THR HG21 H 1 1.111 0.02 . 1 . . . . 48 T HG21 . 17864 1 541 . 1 1 48 48 THR HG22 H 1 1.111 0.02 . 1 . . . . 48 T HG21 . 17864 1 542 . 1 1 48 48 THR HG23 H 1 1.111 0.02 . 1 . . . . 48 T HG21 . 17864 1 543 . 1 1 48 48 THR C C 13 174.206 0.2 . 1 . . . . 48 T C . 17864 1 544 . 1 1 48 48 THR CA C 13 61.336 0.2 . 1 . . . . 48 T CA . 17864 1 545 . 1 1 48 48 THR CB C 13 71.908 0.2 . 1 . . . . 48 T CB . 17864 1 546 . 1 1 48 48 THR CG2 C 13 21.953 0.2 . 1 . . . . 48 T CG2 . 17864 1 547 . 1 1 48 48 THR N N 15 115.157 0.2 . 1 . . . . 48 T N . 17864 1 548 . 1 1 49 49 GLU H H 1 8.885 0.02 . 1 . . . . 49 E HN . 17864 1 549 . 1 1 49 49 GLU HA H 1 5.231 0.02 . 1 . . . . 49 E HA . 17864 1 550 . 1 1 49 49 GLU HB2 H 1 1.494 0.02 . 2 . . . . 49 E HB1 . 17864 1 551 . 1 1 49 49 GLU HB3 H 1 1.969 0.02 . 2 . . . . 49 E HB2 . 17864 1 552 . 1 1 49 49 GLU HG2 H 1 2.016 0.02 . 2 . . . . 49 E HG1 . 17864 1 553 . 1 1 49 49 GLU HG3 H 1 2.285 0.02 . 2 . . . . 49 E HG2 . 17864 1 554 . 1 1 49 49 GLU C C 13 175.684 0.2 . 1 . . . . 49 E C . 17864 1 555 . 1 1 49 49 GLU CA C 13 54.688 0.2 . 1 . . . . 49 E CA . 17864 1 556 . 1 1 49 49 GLU CB C 13 33.433 0.2 . 1 . . . . 49 E CB . 17864 1 557 . 1 1 49 49 GLU CG C 13 36.369 0.2 . 1 . . . . 49 E CG . 17864 1 558 . 1 1 49 49 GLU N N 15 121.306 0.2 . 1 . . . . 49 E N . 17864 1 559 . 1 1 50 50 THR H H 1 9.134 0.02 . 1 . . . . 50 T HN . 17864 1 560 . 1 1 50 50 THR HA H 1 4.775 0.02 . 1 . . . . 50 T HA . 17864 1 561 . 1 1 50 50 THR HB H 1 3.991 0.02 . 1 . . . . 50 T HB . 17864 1 562 . 1 1 50 50 THR HG21 H 1 1.210 0.02 . 1 . . . . 50 T HG21 . 17864 1 563 . 1 1 50 50 THR HG22 H 1 1.210 0.02 . 1 . . . . 50 T HG21 . 17864 1 564 . 1 1 50 50 THR HG23 H 1 1.210 0.02 . 1 . . . . 50 T HG21 . 17864 1 565 . 1 1 50 50 THR C C 13 174.340 0.2 . 1 . . . . 50 T C . 17864 1 566 . 1 1 50 50 THR CA C 13 62.682 0.2 . 1 . . . . 50 T CA . 17864 1 567 . 1 1 50 50 THR CB C 13 69.925 0.2 . 1 . . . . 50 T CB . 17864 1 568 . 1 1 50 50 THR CG2 C 13 21.118 0.2 . 1 . . . . 50 T CG2 . 17864 1 569 . 1 1 50 50 THR N N 15 121.943 0.2 . 1 . . . . 50 T N . 17864 1 570 . 1 1 51 51 HIS H H 1 9.434 0.02 . 1 . . . . 51 H HN . 17864 1 571 . 1 1 51 51 HIS HA H 1 5.069 0.02 . 1 . . . . 51 H HA . 17864 1 572 . 1 1 51 51 HIS HB2 H 1 3.279 0.02 . 2 . . . . 51 H HB1 . 17864 1 573 . 1 1 51 51 HIS HB3 H 1 3.325 0.02 . 2 . . . . 51 H HB2 . 17864 1 574 . 1 1 51 51 HIS C C 13 174.797 0.2 . 1 . . . . 51 H C . 17864 1 575 . 1 1 51 51 HIS CA C 13 55.876 0.2 . 1 . . . . 51 H CA . 17864 1 576 . 1 1 51 51 HIS CB C 13 31.461 0.2 . 1 . . . . 51 H CB . 17864 1 577 . 1 1 51 51 HIS N N 15 126.017 0.2 . 1 . . . . 51 H N . 17864 1 578 . 1 1 52 52 PHE H H 1 8.464 0.02 . 1 . . . . 52 F HN . 17864 1 579 . 1 1 52 52 PHE HA H 1 4.926 0.02 . 1 . . . . 52 F HA . 17864 1 580 . 1 1 52 52 PHE HB2 H 1 2.999 0.02 . 2 . . . . 52 F HB1 . 17864 1 581 . 1 1 52 52 PHE HB3 H 1 3.351 0.02 . 2 . . . . 52 F HB2 . 17864 1 582 . 1 1 52 52 PHE C C 13 172.512 0.2 . 1 . . . . 52 F C . 17864 1 583 . 1 1 52 52 PHE CA C 13 56.147 0.2 . 1 . . . . 52 F CA . 17864 1 584 . 1 1 52 52 PHE CB C 13 39.386 0.2 . 1 . . . . 52 F CB . 17864 1 585 . 1 1 52 52 PHE N N 15 116.915 0.2 . 1 . . . . 52 F N . 17864 1 586 . 1 1 53 53 SER H H 1 8.850 0.02 . 1 . . . . 53 S HN . 17864 1 587 . 1 1 53 53 SER HA H 1 5.323 0.02 . 1 . . . . 53 S HA . 17864 1 588 . 1 1 53 53 SER HB2 H 1 3.687 0.02 . 2 . . . . 53 S HB1 . 17864 1 589 . 1 1 53 53 SER HB3 H 1 3.876 0.02 . 2 . . . . 53 S HB2 . 17864 1 590 . 1 1 53 53 SER C C 13 173.829 0.2 . 1 . . . . 53 S C . 17864 1 591 . 1 1 53 53 SER CA C 13 57.482 0.2 . 1 . . . . 53 S CA . 17864 1 592 . 1 1 53 53 SER CB C 13 65.747 0.2 . 1 . . . . 53 S CB . 17864 1 593 . 1 1 53 53 SER N N 15 114.493 0.2 . 1 . . . . 53 S N . 17864 1 594 . 1 1 54 54 ILE H H 1 7.651 0.02 . 1 . . . . 54 I HN . 17864 1 595 . 1 1 54 54 ILE HA H 1 4.075 0.02 . 1 . . . . 54 I HA . 17864 1 596 . 1 1 54 54 ILE HB H 1 1.173 0.02 . 1 . . . . 54 I HB . 17864 1 597 . 1 1 54 54 ILE HG12 H 1 0.983 0.02 . 1 . . . . 54 I HG11 . 17864 1 598 . 1 1 54 54 ILE HG13 H 1 1.493 0.02 . 1 . . . . 54 I HG12 . 17864 1 599 . 1 1 54 54 ILE HG21 H 1 0.146 0.02 . 1 . . . . 54 I HG21 . 17864 1 600 . 1 1 54 54 ILE HG22 H 1 0.146 0.02 . 1 . . . . 54 I HG21 . 17864 1 601 . 1 1 54 54 ILE HG23 H 1 0.146 0.02 . 1 . . . . 54 I HG21 . 17864 1 602 . 1 1 54 54 ILE HD11 H 1 0.626 0.02 . 1 . . . . 54 I HD11 . 17864 1 603 . 1 1 54 54 ILE HD12 H 1 0.626 0.02 . 1 . . . . 54 I HD11 . 17864 1 604 . 1 1 54 54 ILE HD13 H 1 0.626 0.02 . 1 . . . . 54 I HD11 . 17864 1 605 . 1 1 54 54 ILE C C 13 176.222 0.2 . 1 . . . . 54 I C . 17864 1 606 . 1 1 54 54 ILE CA C 13 60.918 0.2 . 1 . . . . 54 I CA . 17864 1 607 . 1 1 54 54 ILE CB C 13 40.132 0.2 . 1 . . . . 54 I CB . 17864 1 608 . 1 1 54 54 ILE CG1 C 13 27.003 0.2 . 1 . . . . 54 I CG1 . 17864 1 609 . 1 1 54 54 ILE CG2 C 13 16.813 0.2 . 1 . . . . 54 I CG2 . 17864 1 610 . 1 1 54 54 ILE CD1 C 13 14.308 0.2 . 1 . . . . 54 I CD1 . 17864 1 611 . 1 1 54 54 ILE N N 15 122.442 0.2 . 1 . . . . 54 I N . 17864 1 612 . 1 1 55 55 GLY H H 1 8.878 0.02 . 1 . . . . 55 G HN . 17864 1 613 . 1 1 55 55 GLY HA2 H 1 3.676 0.02 . 2 . . . . 55 G HA1 . 17864 1 614 . 1 1 55 55 GLY HA3 H 1 3.982 0.02 . 2 . . . . 55 G HA2 . 17864 1 615 . 1 1 55 55 GLY C C 13 175.173 0.2 . 1 . . . . 55 G C . 17864 1 616 . 1 1 55 55 GLY CA C 13 46.900 0.2 . 1 . . . . 55 G CA . 17864 1 617 . 1 1 55 55 GLY N N 15 116.615 0.2 . 1 . . . . 55 G N . 17864 1 618 . 1 1 56 56 ASN H H 1 8.923 0.02 . 1 . . . . 56 N HN . 17864 1 619 . 1 1 56 56 ASN HA H 1 4.733 0.02 . 1 . . . . 56 N HA . 17864 1 620 . 1 1 56 56 ASN HB2 H 1 2.507 0.02 . 2 . . . . 56 N HB1 . 17864 1 621 . 1 1 56 56 ASN HB3 H 1 2.777 0.02 . 2 . . . . 56 N HB2 . 17864 1 622 . 1 1 56 56 ASN HD21 H 1 7.445 0.02 . 2 . . . . 56 N HD21 . 17864 1 623 . 1 1 56 56 ASN HD22 H 1 6.772 0.02 . 2 . . . . 56 N HD22 . 17864 1 624 . 1 1 56 56 ASN C C 13 174.770 0.2 . 1 . . . . 56 N C . 17864 1 625 . 1 1 56 56 ASN CA C 13 52.863 0.2 . 1 . . . . 56 N CA . 17864 1 626 . 1 1 56 56 ASN CB C 13 37.900 0.2 . 1 . . . . 56 N CB . 17864 1 627 . 1 1 56 56 ASN N N 15 124.141 0.2 . 1 . . . . 56 N N . 17864 1 628 . 1 1 56 56 ASN ND2 N 15 112.285 0.2 . 1 . . . . 56 N ND2 . 17864 1 629 . 1 1 57 57 HIS H H 1 8.363 0.02 . 1 . . . . 57 H HN . 17864 1 630 . 1 1 57 57 HIS HA H 1 4.746 0.02 . 1 . . . . 57 H HA . 17864 1 631 . 1 1 57 57 HIS HB2 H 1 2.682 0.02 . 2 . . . . 57 H HB1 . 17864 1 632 . 1 1 57 57 HIS HB3 H 1 3.215 0.02 . 2 . . . . 57 H HB2 . 17864 1 633 . 1 1 57 57 HIS C C 13 174.018 0.2 . 1 . . . . 57 H C . 17864 1 634 . 1 1 57 57 HIS CA C 13 55.444 0.2 . 1 . . . . 57 H CA . 17864 1 635 . 1 1 57 57 HIS CB C 13 28.536 0.2 . 1 . . . . 57 H CB . 17864 1 636 . 1 1 57 57 HIS N N 15 118.668 0.2 . 1 . . . . 57 H N . 17864 1 637 . 1 1 58 58 ASP H H 1 8.682 0.02 . 1 . . . . 58 D HN . 17864 1 638 . 1 1 58 58 ASP HA H 1 4.784 0.02 . 1 . . . . 58 D HA . 17864 1 639 . 1 1 58 58 ASP HB2 H 1 2.691 0.02 . 2 . . . . 58 D HB1 . 17864 1 640 . 1 1 58 58 ASP HB3 H 1 2.806 0.02 . 2 . . . . 58 D HB2 . 17864 1 641 . 1 1 58 58 ASP C C 13 175.523 0.2 . 1 . . . . 58 D C . 17864 1 642 . 1 1 58 58 ASP CA C 13 54.418 0.2 . 1 . . . . 58 D CA . 17864 1 643 . 1 1 58 58 ASP CB C 13 42.206 0.2 . 1 . . . . 58 D CB . 17864 1 644 . 1 1 58 58 ASP N N 15 125.633 0.2 . 1 . . . . 58 D N . 17864 1 645 . 1 1 59 59 CYS H H 1 8.198 0.02 . 1 . . . . 59 C HN . 17864 1 646 . 1 1 59 59 CYS HA H 1 5.183 0.02 . 1 . . . . 59 C HA . 17864 1 647 . 1 1 59 59 CYS HB2 H 1 1.258 0.02 . 2 . . . . 59 C HB1 . 17864 1 648 . 1 1 59 59 CYS HB3 H 1 1.653 0.02 . 2 . . . . 59 C HB2 . 17864 1 649 . 1 1 59 59 CYS C C 13 173.937 0.2 . 1 . . . . 59 C C . 17864 1 650 . 1 1 59 59 CYS CA C 13 55.433 0.2 . 1 . . . . 59 C CA . 17864 1 651 . 1 1 59 59 CYS CB C 13 30.996 0.2 . 1 . . . . 59 C CB . 17864 1 652 . 1 1 59 59 CYS N N 15 123.221 0.2 . 1 . . . . 59 C N . 17864 1 653 . 1 1 60 60 TYR H H 1 8.812 0.02 . 1 . . . . 60 Y HN . 17864 1 654 . 1 1 60 60 TYR HA H 1 4.978 0.02 . 1 . . . . 60 Y HA . 17864 1 655 . 1 1 60 60 TYR HB2 H 1 1.670 0.02 . 2 . . . . 60 Y HB1 . 17864 1 656 . 1 1 60 60 TYR HB3 H 1 2.050 0.02 . 2 . . . . 60 Y HB2 . 17864 1 657 . 1 1 60 60 TYR C C 13 172.862 0.2 . 1 . . . . 60 Y C . 17864 1 658 . 1 1 60 60 TYR CA C 13 56.725 0.2 . 1 . . . . 60 Y CA . 17864 1 659 . 1 1 60 60 TYR CB C 13 38.893 0.2 . 1 . . . . 60 Y CB . 17864 1 660 . 1 1 60 60 TYR N N 15 115.569 0.2 . 1 . . . . 60 Y N . 17864 1 661 . 1 1 61 61 ILE H H 1 8.421 0.02 . 1 . . . . 61 I HN . 17864 1 662 . 1 1 61 61 ILE HA H 1 5.039 0.02 . 1 . . . . 61 I HA . 17864 1 663 . 1 1 61 61 ILE HB H 1 1.564 0.02 . 1 . . . . 61 I HB . 17864 1 664 . 1 1 61 61 ILE HG12 H 1 0.737 0.02 . 1 . . . . 61 I HG11 . 17864 1 665 . 1 1 61 61 ILE HG13 H 1 1.508 0.02 . 1 . . . . 61 I HG12 . 17864 1 666 . 1 1 61 61 ILE HG21 H 1 0.974 0.02 . 1 . . . . 61 I HG21 . 17864 1 667 . 1 1 61 61 ILE HG22 H 1 0.974 0.02 . 1 . . . . 61 I HG21 . 17864 1 668 . 1 1 61 61 ILE HG23 H 1 0.974 0.02 . 1 . . . . 61 I HG21 . 17864 1 669 . 1 1 61 61 ILE HD11 H 1 0.731 0.02 . 1 . . . . 61 I HD11 . 17864 1 670 . 1 1 61 61 ILE HD12 H 1 0.731 0.02 . 1 . . . . 61 I HD11 . 17864 1 671 . 1 1 61 61 ILE HD13 H 1 0.731 0.02 . 1 . . . . 61 I HD11 . 17864 1 672 . 1 1 61 61 ILE C C 13 176.033 0.2 . 1 . . . . 61 I C . 17864 1 673 . 1 1 61 61 ILE CA C 13 58.337 0.2 . 1 . . . . 61 I CA . 17864 1 674 . 1 1 61 61 ILE CB C 13 40.450 0.2 . 1 . . . . 61 I CB . 17864 1 675 . 1 1 61 61 ILE CG1 C 13 28.912 0.2 . 1 . . . . 61 I CG1 . 17864 1 676 . 1 1 61 61 ILE CG2 C 13 18.203 0.2 . 1 . . . . 61 I CG2 . 17864 1 677 . 1 1 61 61 ILE CD1 C 13 14.593 0.2 . 1 . . . . 61 I CD1 . 17864 1 678 . 1 1 61 61 ILE N N 15 118.246 0.2 . 1 . . . . 61 I N . 17864 1 679 . 1 1 62 62 LYS H H 1 9.438 0.02 . 1 . . . . 62 K HN . 17864 1 680 . 1 1 62 62 LYS HA H 1 5.118 0.02 . 1 . . . . 62 K HA . 17864 1 681 . 1 1 62 62 LYS HB2 H 1 1.599 0.02 . 2 . . . . 62 K HB1 . 17864 1 682 . 1 1 62 62 LYS HB3 H 1 1.983 0.02 . 2 . . . . 62 K HB2 . 17864 1 683 . 1 1 62 62 LYS HG2 H 1 1.375 0.02 . 2 . . . . 62 K HG1 . 17864 1 684 . 1 1 62 62 LYS HG3 H 1 1.375 0.02 . 2 . . . . 62 K HG2 . 17864 1 685 . 1 1 62 62 LYS HD2 H 1 1.655 0.02 . 2 . . . . 62 K HD1 . 17864 1 686 . 1 1 62 62 LYS HD3 H 1 1.655 0.02 . 2 . . . . 62 K HD2 . 17864 1 687 . 1 1 62 62 LYS HE2 H 1 2.812 0.02 . 2 . . . . 62 K HE1 . 17864 1 688 . 1 1 62 62 LYS HE3 H 1 2.882 0.02 . 2 . . . . 62 K HE2 . 17864 1 689 . 1 1 62 62 LYS C C 13 174.071 0.2 . 1 . . . . 62 K C . 17864 1 690 . 1 1 62 62 LYS CA C 13 54.594 0.2 . 1 . . . . 62 K CA . 17864 1 691 . 1 1 62 62 LYS CB C 13 35.644 0.2 . 1 . . . . 62 K CB . 17864 1 692 . 1 1 62 62 LYS CG C 13 25.255 0.2 . 1 . . . . 62 K CG . 17864 1 693 . 1 1 62 62 LYS CD C 13 29.697 0.2 . 1 . . . . 62 K CD . 17864 1 694 . 1 1 62 62 LYS CE C 13 42.074 0.2 . 1 . . . . 62 K CE . 17864 1 695 . 1 1 62 62 LYS N N 15 131.705 0.2 . 1 . . . . 62 K N . 17864 1 696 . 1 1 63 63 ALA H H 1 8.819 0.02 . 1 . . . . 63 A HN . 17864 1 697 . 1 1 63 63 ALA HA H 1 5.022 0.02 . 1 . . . . 63 A HA . 17864 1 698 . 1 1 63 63 ALA HB1 H 1 1.251 0.02 . 1 . . . . 63 A HB1 . 17864 1 699 . 1 1 63 63 ALA HB2 H 1 1.251 0.02 . 1 . . . . 63 A HB1 . 17864 1 700 . 1 1 63 63 ALA HB3 H 1 1.251 0.02 . 1 . . . . 63 A HB1 . 17864 1 701 . 1 1 63 63 ALA C C 13 176.625 0.2 . 1 . . . . 63 A C . 17864 1 702 . 1 1 63 63 ALA CA C 13 50.542 0.2 . 1 . . . . 63 A CA . 17864 1 703 . 1 1 63 63 ALA CB C 13 20.369 0.2 . 1 . . . . 63 A CB . 17864 1 704 . 1 1 63 63 ALA N N 15 129.971 0.2 . 1 . . . . 63 A N . 17864 1 705 . 1 1 64 64 VAL H H 1 8.511 0.02 . 1 . . . . 64 V HN . 17864 1 706 . 1 1 64 64 VAL HA H 1 4.559 0.02 . 1 . . . . 64 V HA . 17864 1 707 . 1 1 64 64 VAL HB H 1 2.070 0.02 . 1 . . . . 64 V HB . 17864 1 708 . 1 1 64 64 VAL HG11 H 1 0.896 0.02 . 2 . . . . 64 V HG11 . 17864 1 709 . 1 1 64 64 VAL HG12 H 1 0.896 0.02 . 2 . . . . 64 V HG11 . 17864 1 710 . 1 1 64 64 VAL HG13 H 1 0.896 0.02 . 2 . . . . 64 V HG11 . 17864 1 711 . 1 1 64 64 VAL HG21 H 1 0.958 0.02 . 2 . . . . 64 V HG21 . 17864 1 712 . 1 1 64 64 VAL HG22 H 1 0.958 0.02 . 2 . . . . 64 V HG21 . 17864 1 713 . 1 1 64 64 VAL HG23 H 1 0.958 0.02 . 2 . . . . 64 V HG21 . 17864 1 714 . 1 1 64 64 VAL C C 13 175.308 0.2 . 1 . . . . 64 V C . 17864 1 715 . 1 1 64 64 VAL CA C 13 60.855 0.2 . 1 . . . . 64 V CA . 17864 1 716 . 1 1 64 64 VAL CB C 13 34.571 0.2 . 1 . . . . 64 V CB . 17864 1 717 . 1 1 64 64 VAL CG1 C 13 20.607 0.2 . 1 . . . . 64 V CG1 . 17864 1 718 . 1 1 64 64 VAL CG2 C 13 21.344 0.2 . 1 . . . . 64 V CG2 . 17864 1 719 . 1 1 64 64 VAL N N 15 121.578 0.2 . 1 . . . . 64 V N . 17864 1 720 . 1 1 65 65 SER H H 1 8.698 0.02 . 1 . . . . 65 S HN . 17864 1 721 . 1 1 65 65 SER HA H 1 4.660 0.02 . 1 . . . . 65 S HA . 17864 1 722 . 1 1 65 65 SER HB2 H 1 3.899 0.02 . 2 . . . . 65 S HB1 . 17864 1 723 . 1 1 65 65 SER HB3 H 1 3.822 0.02 . 2 . . . . 65 S HB2 . 17864 1 724 . 1 1 65 65 SER C C 13 174.770 0.2 . 1 . . . . 65 S C . 17864 1 725 . 1 1 65 65 SER CA C 13 58.038 0.2 . 1 . . . . 65 S CA . 17864 1 726 . 1 1 65 65 SER CB C 13 64.202 0.2 . 1 . . . . 65 S CB . 17864 1 727 . 1 1 65 65 SER N N 15 119.794 0.2 . 1 . . . . 65 S N . 17864 1 728 . 1 1 66 66 SER H H 1 8.367 0.02 . 1 . . . . 66 S HN . 17864 1 729 . 1 1 66 66 SER HA H 1 4.483 0.02 . 1 . . . . 66 S HA . 17864 1 730 . 1 1 66 66 SER HB2 H 1 3.743 0.02 . 2 . . . . 66 S HB1 . 17864 1 731 . 1 1 66 66 SER HB3 H 1 3.905 0.02 . 2 . . . . 66 S HB2 . 17864 1 732 . 1 1 66 66 SER C C 13 175.053 0.2 . 1 . . . . 66 S C . 17864 1 733 . 1 1 66 66 SER CA C 13 58.195 0.2 . 1 . . . . 66 S CA . 17864 1 734 . 1 1 66 66 SER CB C 13 64.249 0.2 . 1 . . . . 66 S CB . 17864 1 735 . 1 1 66 66 SER N N 15 118.656 0.2 . 1 . . . . 66 S N . 17864 1 736 . 1 1 67 67 GLY H H 1 8.543 0.02 . 1 . . . . 67 G HN . 17864 1 737 . 1 1 67 67 GLY HA2 H 1 3.727 0.02 . 2 . . . . 67 G HA1 . 17864 1 738 . 1 1 67 67 GLY HA3 H 1 3.727 0.02 . 2 . . . . 67 G HA2 . 17864 1 739 . 1 1 67 67 GLY C C 13 174.853 0.2 . 1 . . . . 67 G C . 17864 1 740 . 1 1 67 67 GLY CA C 13 45.405 0.2 . 1 . . . . 67 G CA . 17864 1 741 . 1 1 67 67 GLY N N 15 111.490 0.2 . 1 . . . . 67 G N . 17864 1 742 . 1 1 68 68 LYS HA H 1 4.398 0.02 . 1 . . . . 68 K HA . 17864 1 743 . 1 1 68 68 LYS HB2 H 1 1.908 0.02 . 2 . . . . 68 K HB1 . 17864 1 744 . 1 1 68 68 LYS HB3 H 1 2.268 0.02 . 2 . . . . 68 K HB2 . 17864 1 745 . 1 1 68 68 LYS C C 13 176.013 0.2 . 1 . . . . 68 K C . 17864 1 746 . 1 1 68 68 LYS CA C 13 55.669 0.2 . 1 . . . . 68 K CA . 17864 1 747 . 1 1 68 68 LYS CB C 13 32.467 0.2 . 1 . . . . 68 K CB . 17864 1 748 . 1 1 68 68 LYS CG C 13 24.841 0.2 . 1 . . . . 68 K CG . 17864 1 749 . 1 1 68 68 LYS CD C 13 29.105 0.2 . 1 . . . . 68 K CD . 17864 1 750 . 1 1 68 68 LYS CE C 13 42.215 0.2 . 1 . . . . 68 K CE . 17864 1 751 . 1 1 69 69 ARG H H 1 8.449 0.02 . 1 . . . . 69 R HN . 17864 1 752 . 1 1 69 69 ARG C C 13 175.968 0.2 . 1 . . . . 69 R C . 17864 1 753 . 1 1 69 69 ARG CA C 13 56.458 0.2 . 1 . . . . 69 R CA . 17864 1 754 . 1 1 69 69 ARG CB C 13 30.197 0.2 . 1 . . . . 69 R CB . 17864 1 755 . 1 1 69 69 ARG N N 15 121.909 0.2 . 1 . . . . 69 R N . 17864 1 756 . 1 1 70 70 LYS HA H 1 4.099 0.02 . 1 . . . . 70 K HA . 17864 1 757 . 1 1 70 70 LYS HB2 H 1 1.878 0.02 . 2 . . . . 70 K HB1 . 17864 1 758 . 1 1 70 70 LYS HB3 H 1 1.878 0.02 . 2 . . . . 70 K HB2 . 17864 1 759 . 1 1 70 70 LYS HG2 H 1 1.443 0.02 . 2 . . . . 70 K HG1 . 17864 1 760 . 1 1 70 70 LYS HG3 H 1 1.443 0.02 . 2 . . . . 70 K HG2 . 17864 1 761 . 1 1 70 70 LYS HD2 H 1 1.702 0.02 . 2 . . . . 70 K HD1 . 17864 1 762 . 1 1 70 70 LYS HD3 H 1 1.702 0.02 . 2 . . . . 70 K HD2 . 17864 1 763 . 1 1 70 70 LYS HE2 H 1 3.028 0.02 . 2 . . . . 70 K HE1 . 17864 1 764 . 1 1 70 70 LYS HE3 H 1 3.028 0.02 . 2 . . . . 70 K HE2 . 17864 1 765 . 1 1 70 70 LYS C C 13 176.947 0.2 . 1 . . . . 70 K C . 17864 1 766 . 1 1 70 70 LYS CA C 13 57.790 0.2 . 1 . . . . 70 K CA . 17864 1 767 . 1 1 70 70 LYS CB C 13 31.756 0.2 . 1 . . . . 70 K CB . 17864 1 768 . 1 1 70 70 LYS CG C 13 24.872 0.2 . 1 . . . . 70 K CG . 17864 1 769 . 1 1 70 70 LYS CD C 13 29.123 0.2 . 1 . . . . 70 K CD . 17864 1 770 . 1 1 70 70 LYS CE C 13 42.157 0.2 . 1 . . . . 70 K CE . 17864 1 771 . 1 1 71 71 GLU H H 1 8.656 0.02 . 1 . . . . 71 E HN . 17864 1 772 . 1 1 71 71 GLU HA H 1 4.297 0.02 . 1 . . . . 71 E HA . 17864 1 773 . 1 1 71 71 GLU HB2 H 1 2.005 0.02 . 2 . . . . 71 E HB1 . 17864 1 774 . 1 1 71 71 GLU HB3 H 1 2.099 0.02 . 2 . . . . 71 E HB2 . 17864 1 775 . 1 1 71 71 GLU HG2 H 1 2.303 0.02 . 2 . . . . 71 E HG1 . 17864 1 776 . 1 1 71 71 GLU HG3 H 1 2.303 0.02 . 2 . . . . 71 E HG2 . 17864 1 777 . 1 1 71 71 GLU C C 13 176.947 0.2 . 1 . . . . 71 E C . 17864 1 778 . 1 1 71 71 GLU CA C 13 57.265 0.2 . 1 . . . . 71 E CA . 17864 1 779 . 1 1 71 71 GLU CB C 13 29.665 0.2 . 1 . . . . 71 E CB . 17864 1 780 . 1 1 71 71 GLU CG C 13 36.686 0.2 . 1 . . . . 71 E CG . 17864 1 781 . 1 1 71 71 GLU N N 15 118.767 0.2 . 1 . . . . 71 E N . 17864 1 782 . 1 1 72 72 GLY H H 1 8.172 0.02 . 1 . . . . 72 G HN . 17864 1 783 . 1 1 72 72 GLY HA2 H 1 3.960 0.02 . 2 . . . . 72 G HA1 . 17864 1 784 . 1 1 72 72 GLY HA3 H 1 4.062 0.02 . 2 . . . . 72 G HA2 . 17864 1 785 . 1 1 72 72 GLY C C 13 173.588 0.2 . 1 . . . . 72 G C . 17864 1 786 . 1 1 72 72 GLY CA C 13 45.171 0.2 . 1 . . . . 72 G CA . 17864 1 787 . 1 1 72 72 GLY N N 15 108.493 0.2 . 1 . . . . 72 G N . 17864 1 788 . 1 1 73 73 ILE H H 1 7.985 0.02 . 1 . . . . 73 I HN . 17864 1 789 . 1 1 73 73 ILE HA H 1 4.376 0.02 . 1 . . . . 73 I HA . 17864 1 790 . 1 1 73 73 ILE HB H 1 1.666 0.02 . 1 . . . . 73 I HB . 17864 1 791 . 1 1 73 73 ILE HG12 H 1 1.029 0.02 . 1 . . . . 73 I HG11 . 17864 1 792 . 1 1 73 73 ILE HG13 H 1 1.470 0.02 . 1 . . . . 73 I HG12 . 17864 1 793 . 1 1 73 73 ILE HG21 H 1 0.485 0.02 . 1 . . . . 73 I HG21 . 17864 1 794 . 1 1 73 73 ILE HG22 H 1 0.485 0.02 . 1 . . . . 73 I HG21 . 17864 1 795 . 1 1 73 73 ILE HG23 H 1 0.485 0.02 . 1 . . . . 73 I HG21 . 17864 1 796 . 1 1 73 73 ILE HD11 H 1 0.808 0.02 . 1 . . . . 73 I HD11 . 17864 1 797 . 1 1 73 73 ILE HD12 H 1 0.808 0.02 . 1 . . . . 73 I HD11 . 17864 1 798 . 1 1 73 73 ILE HD13 H 1 0.808 0.02 . 1 . . . . 73 I HD11 . 17864 1 799 . 1 1 73 73 ILE C C 13 175.469 0.2 . 1 . . . . 73 I C . 17864 1 800 . 1 1 73 73 ILE CA C 13 60.532 0.2 . 1 . . . . 73 I CA . 17864 1 801 . 1 1 73 73 ILE CB C 13 39.745 0.2 . 1 . . . . 73 I CB . 17864 1 802 . 1 1 73 73 ILE CG1 C 13 27.828 0.2 . 1 . . . . 73 I CG1 . 17864 1 803 . 1 1 73 73 ILE CG2 C 13 17.616 0.2 . 1 . . . . 73 I CG2 . 17864 1 804 . 1 1 73 73 ILE CD1 C 13 12.732 0.2 . 1 . . . . 73 I CD1 . 17864 1 805 . 1 1 73 73 ILE N N 15 121.671 0.2 . 1 . . . . 73 I N . 17864 1 806 . 1 1 74 74 ILE H H 1 8.576 0.02 . 1 . . . . 74 I HN . 17864 1 807 . 1 1 74 74 ILE HA H 1 4.387 0.02 . 1 . . . . 74 I HA . 17864 1 808 . 1 1 74 74 ILE HB H 1 1.781 0.02 . 1 . . . . 74 I HB . 17864 1 809 . 1 1 74 74 ILE HG12 H 1 1.132 0.02 . 1 . . . . 74 I HG11 . 17864 1 810 . 1 1 74 74 ILE HG13 H 1 1.492 0.02 . 1 . . . . 74 I HG12 . 17864 1 811 . 1 1 74 74 ILE HG21 H 1 0.900 0.02 . 1 . . . . 74 I HG21 . 17864 1 812 . 1 1 74 74 ILE HG22 H 1 0.900 0.02 . 1 . . . . 74 I HG21 . 17864 1 813 . 1 1 74 74 ILE HG23 H 1 0.900 0.02 . 1 . . . . 74 I HG21 . 17864 1 814 . 1 1 74 74 ILE HD11 H 1 0.850 0.02 . 1 . . . . 74 I HD11 . 17864 1 815 . 1 1 74 74 ILE HD12 H 1 0.850 0.02 . 1 . . . . 74 I HD11 . 17864 1 816 . 1 1 74 74 ILE HD13 H 1 0.850 0.02 . 1 . . . . 74 I HD11 . 17864 1 817 . 1 1 74 74 ILE C C 13 175.039 0.2 . 1 . . . . 74 I C . 17864 1 818 . 1 1 74 74 ILE CA C 13 60.021 0.2 . 1 . . . . 74 I CA . 17864 1 819 . 1 1 74 74 ILE CB C 13 40.292 0.2 . 1 . . . . 74 I CB . 17864 1 820 . 1 1 74 74 ILE CG1 C 13 27.372 0.2 . 1 . . . . 74 I CG1 . 17864 1 821 . 1 1 74 74 ILE CG2 C 13 17.449 0.2 . 1 . . . . 74 I CG2 . 17864 1 822 . 1 1 74 74 ILE CD1 C 13 13.097 0.2 . 1 . . . . 74 I CD1 . 17864 1 823 . 1 1 74 74 ILE N N 15 127.014 0.2 . 1 . . . . 74 I N . 17864 1 824 . 1 1 75 75 HIS H H 1 8.605 0.02 . 1 . . . . 75 H HN . 17864 1 825 . 1 1 75 75 HIS HA H 1 5.599 0.02 . 1 . . . . 75 H HA . 17864 1 826 . 1 1 75 75 HIS HB2 H 1 2.842 0.02 . 2 . . . . 75 H HB1 . 17864 1 827 . 1 1 75 75 HIS HB3 H 1 3.046 0.02 . 2 . . . . 75 H HB2 . 17864 1 828 . 1 1 75 75 HIS C C 13 175.254 0.2 . 1 . . . . 75 H C . 17864 1 829 . 1 1 75 75 HIS CA C 13 57.206 0.2 . 1 . . . . 75 H CA . 17864 1 830 . 1 1 75 75 HIS CB C 13 32.230 0.2 . 1 . . . . 75 H CB . 17864 1 831 . 1 1 75 75 HIS N N 15 125.448 0.2 . 1 . . . . 75 H N . 17864 1 832 . 1 1 76 76 THR H H 1 8.977 0.02 . 1 . . . . 76 T HN . 17864 1 833 . 1 1 76 76 THR HA H 1 4.939 0.02 . 1 . . . . 76 T HA . 17864 1 834 . 1 1 76 76 THR HB H 1 3.917 0.02 . 1 . . . . 76 T HB . 17864 1 835 . 1 1 76 76 THR HG21 H 1 1.185 0.02 . 1 . . . . 76 T HG21 . 17864 1 836 . 1 1 76 76 THR HG22 H 1 1.185 0.02 . 1 . . . . 76 T HG21 . 17864 1 837 . 1 1 76 76 THR HG23 H 1 1.185 0.02 . 1 . . . . 76 T HG21 . 17864 1 838 . 1 1 76 76 THR C C 13 172.019 0.2 . 1 . . . . 76 T C . 17864 1 839 . 1 1 76 76 THR CA C 13 60.153 0.2 . 1 . . . . 76 T CA . 17864 1 840 . 1 1 76 76 THR CB C 13 71.945 0.2 . 1 . . . . 76 T CB . 17864 1 841 . 1 1 76 76 THR CG2 C 13 21.832 0.2 . 1 . . . . 76 T CG2 . 17864 1 842 . 1 1 76 76 THR N N 15 117.745 0.2 . 1 . . . . 76 T N . 17864 1 843 . 1 1 77 77 LEU H H 1 8.334 0.02 . 1 . . . . 77 L HN . 17864 1 844 . 1 1 77 77 LEU HA H 1 4.320 0.02 . 1 . . . . 77 L HA . 17864 1 845 . 1 1 77 77 LEU HB2 H 1 -0.930 0.02 . 2 . . . . 77 L HB1 . 17864 1 846 . 1 1 77 77 LEU HB3 H 1 0.568 0.02 . 2 . . . . 77 L HB2 . 17864 1 847 . 1 1 77 77 LEU HG H 1 0.755 0.02 . 1 . . . . 77 L HG . 17864 1 848 . 1 1 77 77 LEU HD11 H 1 0.243 0.02 . 2 . . . . 77 L HD11 . 17864 1 849 . 1 1 77 77 LEU HD12 H 1 0.243 0.02 . 2 . . . . 77 L HD11 . 17864 1 850 . 1 1 77 77 LEU HD13 H 1 0.243 0.02 . 2 . . . . 77 L HD11 . 17864 1 851 . 1 1 77 77 LEU HD21 H 1 0.109 0.02 . 2 . . . . 77 L HD21 . 17864 1 852 . 1 1 77 77 LEU HD22 H 1 0.109 0.02 . 2 . . . . 77 L HD21 . 17864 1 853 . 1 1 77 77 LEU HD23 H 1 0.109 0.02 . 2 . . . . 77 L HD21 . 17864 1 854 . 1 1 77 77 LEU C C 13 172.754 0.2 . 1 . . . . 77 L C . 17864 1 855 . 1 1 77 77 LEU CA C 13 53.763 0.2 . 1 . . . . 77 L CA . 17864 1 856 . 1 1 77 77 LEU CB C 13 39.976 0.2 . 1 . . . . 77 L CB . 17864 1 857 . 1 1 77 77 LEU CG C 13 27.170 0.2 . 1 . . . . 77 L CG . 17864 1 858 . 1 1 77 77 LEU CD1 C 13 23.308 0.2 . 1 . . . . 77 L CD1 . 17864 1 859 . 1 1 77 77 LEU CD2 C 13 26.825 0.2 . 1 . . . . 77 L CD2 . 17864 1 860 . 1 1 77 77 LEU N N 15 126.537 0.2 . 1 . . . . 77 L N . 17864 1 861 . 1 1 78 78 ILE H H 1 8.623 0.02 . 1 . . . . 78 I HN . 17864 1 862 . 1 1 78 78 ILE HA H 1 4.469 0.02 . 1 . . . . 78 I HA . 17864 1 863 . 1 1 78 78 ILE HB H 1 0.340 0.02 . 1 . . . . 78 I HB . 17864 1 864 . 1 1 78 78 ILE HG12 H 1 0.766 0.02 . 1 . . . . 78 I HG11 . 17864 1 865 . 1 1 78 78 ILE HG13 H 1 0.875 0.02 . 1 . . . . 78 I HG12 . 17864 1 866 . 1 1 78 78 ILE HG21 H 1 0.393 0.02 . 1 . . . . 78 I HG21 . 17864 1 867 . 1 1 78 78 ILE HG22 H 1 0.393 0.02 . 1 . . . . 78 I HG21 . 17864 1 868 . 1 1 78 78 ILE HG23 H 1 0.393 0.02 . 1 . . . . 78 I HG21 . 17864 1 869 . 1 1 78 78 ILE HD11 H 1 0.479 0.02 . 1 . . . . 78 I HD11 . 17864 1 870 . 1 1 78 78 ILE HD12 H 1 0.479 0.02 . 1 . . . . 78 I HD11 . 17864 1 871 . 1 1 78 78 ILE HD13 H 1 0.479 0.02 . 1 . . . . 78 I HD11 . 17864 1 872 . 1 1 78 78 ILE C C 13 175.256 0.2 . 1 . . . . 78 I C . 17864 1 873 . 1 1 78 78 ILE CA C 13 58.564 0.2 . 1 . . . . 78 I CA . 17864 1 874 . 1 1 78 78 ILE CB C 13 37.558 0.2 . 1 . . . . 78 I CB . 17864 1 875 . 1 1 78 78 ILE CG1 C 13 28.130 0.2 . 1 . . . . 78 I CG1 . 17864 1 876 . 1 1 78 78 ILE CG2 C 13 17.838 0.2 . 1 . . . . 78 I CG2 . 17864 1 877 . 1 1 78 78 ILE CD1 C 13 11.950 0.2 . 1 . . . . 78 I CD1 . 17864 1 878 . 1 1 78 78 ILE N N 15 128.032 0.2 . 1 . . . . 78 I N . 17864 1 879 . 1 1 79 79 VAL H H 1 8.494 0.02 . 1 . . . . 79 V HN . 17864 1 880 . 1 1 79 79 VAL HA H 1 4.249 0.02 . 1 . . . . 79 V HA . 17864 1 881 . 1 1 79 79 VAL HB H 1 1.682 0.02 . 1 . . . . 79 V HB . 17864 1 882 . 1 1 79 79 VAL HG11 H 1 0.606 0.02 . 2 . . . . 79 V HG11 . 17864 1 883 . 1 1 79 79 VAL HG12 H 1 0.606 0.02 . 2 . . . . 79 V HG11 . 17864 1 884 . 1 1 79 79 VAL HG13 H 1 0.606 0.02 . 2 . . . . 79 V HG11 . 17864 1 885 . 1 1 79 79 VAL HG21 H 1 0.701 0.02 . 2 . . . . 79 V HG21 . 17864 1 886 . 1 1 79 79 VAL HG22 H 1 0.701 0.02 . 2 . . . . 79 V HG21 . 17864 1 887 . 1 1 79 79 VAL HG23 H 1 0.701 0.02 . 2 . . . . 79 V HG21 . 17864 1 888 . 1 1 79 79 VAL C C 13 176.266 0.2 . 1 . . . . 79 V C . 17864 1 889 . 1 1 79 79 VAL CA C 13 61.032 0.2 . 1 . . . . 79 V CA . 17864 1 890 . 1 1 79 79 VAL CB C 13 34.526 0.2 . 1 . . . . 79 V CB . 17864 1 891 . 1 1 79 79 VAL CG1 C 13 20.607 0.2 . 1 . . . . 79 V CG1 . 17864 1 892 . 1 1 79 79 VAL CG2 C 13 20.436 0.2 . 1 . . . . 79 V CG2 . 17864 1 893 . 1 1 79 79 VAL N N 15 124.704 0.2 . 1 . . . . 79 V N . 17864 1 894 . 1 1 80 80 ASP H H 1 9.247 0.02 . 1 . . . . 80 D HN . 17864 1 895 . 1 1 80 80 ASP HA H 1 4.363 0.02 . 1 . . . . 80 D HA . 17864 1 896 . 1 1 80 80 ASP HB2 H 1 2.819 0.02 . 2 . . . . 80 D HB1 . 17864 1 897 . 1 1 80 80 ASP HB3 H 1 2.916 0.02 . 2 . . . . 80 D HB2 . 17864 1 898 . 1 1 80 80 ASP C C 13 175.601 0.2 . 1 . . . . 80 D C . 17864 1 899 . 1 1 80 80 ASP CA C 13 55.757 0.2 . 1 . . . . 80 D CA . 17864 1 900 . 1 1 80 80 ASP CB C 13 39.199 0.2 . 1 . . . . 80 D CB . 17864 1 901 . 1 1 80 80 ASP N N 15 129.210 0.2 . 1 . . . . 80 D N . 17864 1 902 . 1 1 81 81 ASN H H 1 8.828 0.02 . 1 . . . . 81 N HN . 17864 1 903 . 1 1 81 81 ASN HA H 1 4.040 0.02 . 1 . . . . 81 N HA . 17864 1 904 . 1 1 81 81 ASN HB2 H 1 2.993 0.02 . 2 . . . . 81 N HB1 . 17864 1 905 . 1 1 81 81 ASN HB3 H 1 3.063 0.02 . 2 . . . . 81 N HB2 . 17864 1 906 . 1 1 81 81 ASN HD21 H 1 6.952 0.02 . 2 . . . . 81 N HD21 . 17864 1 907 . 1 1 81 81 ASN HD22 H 1 7.564 0.02 . 2 . . . . 81 N HD22 . 17864 1 908 . 1 1 81 81 ASN C C 13 173.794 0.2 . 1 . . . . 81 N C . 17864 1 909 . 1 1 81 81 ASN CA C 13 55.273 0.2 . 1 . . . . 81 N CA . 17864 1 910 . 1 1 81 81 ASN CB C 13 37.960 0.2 . 1 . . . . 81 N CB . 17864 1 911 . 1 1 81 81 ASN N N 15 108.129 0.2 . 1 . . . . 81 N N . 17864 1 912 . 1 1 81 81 ASN ND2 N 15 113.496 0.2 . 1 . . . . 81 N ND2 . 17864 1 913 . 1 1 82 82 ARG H H 1 7.904 0.02 . 1 . . . . 82 R HN . 17864 1 914 . 1 1 82 82 ARG HA H 1 4.618 0.02 . 1 . . . . 82 R HA . 17864 1 915 . 1 1 82 82 ARG HB2 H 1 1.802 0.02 . 2 . . . . 82 R HB1 . 17864 1 916 . 1 1 82 82 ARG HB3 H 1 1.826 0.02 . 2 . . . . 82 R HB2 . 17864 1 917 . 1 1 82 82 ARG HG2 H 1 1.640 0.02 . 2 . . . . 82 R HG1 . 17864 1 918 . 1 1 82 82 ARG HG3 H 1 1.678 0.02 . 2 . . . . 82 R HG2 . 17864 1 919 . 1 1 82 82 ARG HD2 H 1 3.244 0.02 . 2 . . . . 82 R HD1 . 17864 1 920 . 1 1 82 82 ARG HD3 H 1 3.244 0.02 . 2 . . . . 82 R HD2 . 17864 1 921 . 1 1 82 82 ARG C C 13 174.085 0.2 . 1 . . . . 82 R C . 17864 1 922 . 1 1 82 82 ARG CA C 13 54.761 0.2 . 1 . . . . 82 R CA . 17864 1 923 . 1 1 82 82 ARG CB C 13 32.504 0.2 . 1 . . . . 82 R CB . 17864 1 924 . 1 1 82 82 ARG CG C 13 27.181 0.2 . 1 . . . . 82 R CG . 17864 1 925 . 1 1 82 82 ARG CD C 13 43.421 0.2 . 1 . . . . 82 R CD . 17864 1 926 . 1 1 82 82 ARG N N 15 120.865 0.2 . 1 . . . . 82 R N . 17864 1 927 . 1 1 83 83 GLU H H 1 8.543 0.02 . 1 . . . . 83 E HN . 17864 1 928 . 1 1 83 83 GLU HA H 1 4.552 0.02 . 1 . . . . 83 E HA . 17864 1 929 . 1 1 83 83 GLU HB2 H 1 1.867 0.02 . 2 . . . . 83 E HB1 . 17864 1 930 . 1 1 83 83 GLU HB3 H 1 1.845 0.02 . 2 . . . . 83 E HB2 . 17864 1 931 . 1 1 83 83 GLU HG2 H 1 1.983 0.02 . 2 . . . . 83 E HG1 . 17864 1 932 . 1 1 83 83 GLU HG3 H 1 2.182 0.02 . 2 . . . . 83 E HG2 . 17864 1 933 . 1 1 83 83 GLU C C 13 176.269 0.2 . 1 . . . . 83 E C . 17864 1 934 . 1 1 83 83 GLU CA C 13 56.185 0.2 . 1 . . . . 83 E CA . 17864 1 935 . 1 1 83 83 GLU CB C 13 30.155 0.2 . 1 . . . . 83 E CB . 17864 1 936 . 1 1 83 83 GLU CG C 13 36.631 0.2 . 1 . . . . 83 E CG . 17864 1 937 . 1 1 83 83 GLU N N 15 123.840 0.2 . 1 . . . . 83 E N . 17864 1 938 . 1 1 84 84 ILE H H 1 8.820 0.02 . 1 . . . . 84 I HN . 17864 1 939 . 1 1 84 84 ILE HA H 1 4.671 0.02 . 1 . . . . 84 I HA . 17864 1 940 . 1 1 84 84 ILE HB H 1 1.931 0.02 . 1 . . . . 84 I HB . 17864 1 941 . 1 1 84 84 ILE HG12 H 1 1.006 0.02 . 1 . . . . 84 I HG11 . 17864 1 942 . 1 1 84 84 ILE HG13 H 1 1.624 0.02 . 1 . . . . 84 I HG12 . 17864 1 943 . 1 1 84 84 ILE HG21 H 1 1.130 0.02 . 1 . . . . 84 I HG21 . 17864 1 944 . 1 1 84 84 ILE HG22 H 1 1.130 0.02 . 1 . . . . 84 I HG21 . 17864 1 945 . 1 1 84 84 ILE HG23 H 1 1.130 0.02 . 1 . . . . 84 I HG21 . 17864 1 946 . 1 1 84 84 ILE HD11 H 1 0.675 0.02 . 1 . . . . 84 I HD11 . 17864 1 947 . 1 1 84 84 ILE HD12 H 1 0.675 0.02 . 1 . . . . 84 I HD11 . 17864 1 948 . 1 1 84 84 ILE HD13 H 1 0.675 0.02 . 1 . . . . 84 I HD11 . 17864 1 949 . 1 1 84 84 ILE C C 13 174.269 0.2 . 1 . . . . 84 I C . 17864 1 950 . 1 1 84 84 ILE CA C 13 55.191 0.2 . 1 . . . . 84 I CA . 17864 1 951 . 1 1 84 84 ILE CB C 13 37.439 0.2 . 1 . . . . 84 I CB . 17864 1 952 . 1 1 84 84 ILE CG1 C 13 26.622 0.2 . 1 . . . . 84 I CG1 . 17864 1 953 . 1 1 84 84 ILE CG2 C 13 16.648 0.2 . 1 . . . . 84 I CG2 . 17864 1 954 . 1 1 84 84 ILE CD1 C 13 9.146 0.2 . 1 . . . . 84 I CD1 . 17864 1 955 . 1 1 84 84 ILE N N 15 129.567 0.2 . 1 . . . . 84 I N . 17864 1 956 . 1 1 85 85 PRO HA H 1 4.742 0.02 . 1 . . . . 85 P HA . 17864 1 957 . 1 1 85 85 PRO HB2 H 1 2.062 0.02 . 2 . . . . 85 P HB1 . 17864 1 958 . 1 1 85 85 PRO HB3 H 1 2.419 0.02 . 2 . . . . 85 P HB2 . 17864 1 959 . 1 1 85 85 PRO HG2 H 1 2.123 0.02 . 2 . . . . 85 P HG1 . 17864 1 960 . 1 1 85 85 PRO HG3 H 1 2.234 0.02 . 2 . . . . 85 P HG2 . 17864 1 961 . 1 1 85 85 PRO HD2 H 1 3.912 0.02 . 2 . . . . 85 P HD1 . 17864 1 962 . 1 1 85 85 PRO HD3 H 1 4.022 0.02 . 2 . . . . 85 P HD2 . 17864 1 963 . 1 1 85 85 PRO C C 13 174.839 0.2 . 1 . . . . 85 P C . 17864 1 964 . 1 1 85 85 PRO CA C 13 63.011 0.2 . 1 . . . . 85 P CA . 17864 1 965 . 1 1 85 85 PRO CB C 13 32.217 0.2 . 1 . . . . 85 P CB . 17864 1 966 . 1 1 85 85 PRO CG C 13 27.505 0.2 . 1 . . . . 85 P CG . 17864 1 967 . 1 1 85 85 PRO CD C 13 51.079 0.2 . 1 . . . . 85 P CD . 17864 1 968 . 1 1 86 86 GLU H H 1 8.767 0.02 . 1 . . . . 86 E HN . 17864 1 969 . 1 1 86 86 GLU HA H 1 4.223 0.02 . 1 . . . . 86 E HA . 17864 1 970 . 1 1 86 86 GLU HB2 H 1 1.912 0.02 . 2 . . . . 86 E HB1 . 17864 1 971 . 1 1 86 86 GLU HB3 H 1 1.944 0.02 . 2 . . . . 86 E HB2 . 17864 1 972 . 1 1 86 86 GLU HG2 H 1 1.895 0.02 . 2 . . . . 86 E HG1 . 17864 1 973 . 1 1 86 86 GLU HG3 H 1 2.063 0.02 . 2 . . . . 86 E HG2 . 17864 1 974 . 1 1 86 86 GLU C C 13 177.275 0.2 . 1 . . . . 86 E C . 17864 1 975 . 1 1 86 86 GLU CA C 13 56.921 0.2 . 1 . . . . 86 E CA . 17864 1 976 . 1 1 86 86 GLU CB C 13 30.697 0.2 . 1 . . . . 86 E CB . 17864 1 977 . 1 1 86 86 GLU CG C 13 36.634 0.2 . 1 . . . . 86 E CG . 17864 1 978 . 1 1 86 86 GLU N N 15 123.157 0.2 . 1 . . . . 86 E N . 17864 1 979 . 1 1 87 87 ILE H H 1 8.187 0.02 . 1 . . . . 87 I HN . 17864 1 980 . 1 1 87 87 ILE HA H 1 4.290 0.02 . 1 . . . . 87 I HA . 17864 1 981 . 1 1 87 87 ILE HB H 1 1.848 0.02 . 1 . . . . 87 I HB . 17864 1 982 . 1 1 87 87 ILE HG12 H 1 1.187 0.02 . 1 . . . . 87 I HG11 . 17864 1 983 . 1 1 87 87 ILE HG13 H 1 1.432 0.02 . 1 . . . . 87 I HG12 . 17864 1 984 . 1 1 87 87 ILE HG21 H 1 0.939 0.02 . 1 . . . . 87 I HG21 . 17864 1 985 . 1 1 87 87 ILE HG22 H 1 0.939 0.02 . 1 . . . . 87 I HG21 . 17864 1 986 . 1 1 87 87 ILE HG23 H 1 0.939 0.02 . 1 . . . . 87 I HG21 . 17864 1 987 . 1 1 87 87 ILE HD11 H 1 0.860 0.02 . 1 . . . . 87 I HD11 . 17864 1 988 . 1 1 87 87 ILE HD12 H 1 0.860 0.02 . 1 . . . . 87 I HD11 . 17864 1 989 . 1 1 87 87 ILE HD13 H 1 0.860 0.02 . 1 . . . . 87 I HD11 . 17864 1 990 . 1 1 87 87 ILE C C 13 175.529 0.2 . 1 . . . . 87 I C . 17864 1 991 . 1 1 87 87 ILE CA C 13 61.064 0.2 . 1 . . . . 87 I CA . 17864 1 992 . 1 1 87 87 ILE CB C 13 38.929 0.2 . 1 . . . . 87 I CB . 17864 1 993 . 1 1 87 87 ILE CG1 C 13 27.185 0.2 . 1 . . . . 87 I CG1 . 17864 1 994 . 1 1 87 87 ILE CG2 C 13 17.812 0.2 . 1 . . . . 87 I CG2 . 17864 1 995 . 1 1 87 87 ILE CD1 C 13 13.225 0.2 . 1 . . . . 87 I CD1 . 17864 1 996 . 1 1 87 87 ILE N N 15 120.697 0.2 . 1 . . . . 87 I N . 17864 1 997 . 1 1 88 88 ALA H H 1 8.406 0.02 . 1 . . . . 88 A HN . 17864 1 998 . 1 1 88 88 ALA HA H 1 4.413 0.02 . 1 . . . . 88 A HA . 17864 1 999 . 1 1 88 88 ALA HB1 H 1 1.419 0.02 . 1 . . . . 88 A HB1 . 17864 1 1000 . 1 1 88 88 ALA HB2 H 1 1.419 0.02 . 1 . . . . 88 A HB1 . 17864 1 1001 . 1 1 88 88 ALA HB3 H 1 1.419 0.02 . 1 . . . . 88 A HB1 . 17864 1 1002 . 1 1 88 88 ALA C C 13 176.932 0.2 . 1 . . . . 88 A C . 17864 1 1003 . 1 1 88 88 ALA CA C 13 52.595 0.2 . 1 . . . . 88 A CA . 17864 1 1004 . 1 1 88 88 ALA CB C 13 19.513 0.2 . 1 . . . . 88 A CB . 17864 1 1005 . 1 1 88 88 ALA N N 15 128.306 0.2 . 1 . . . . 88 A N . 17864 1 1006 . 1 1 89 89 SER H H 1 7.907 0.02 . 1 . . . . 89 S HN . 17864 1 1007 . 1 1 89 89 SER HA H 1 4.234 0.02 . 1 . . . . 89 S HA . 17864 1 1008 . 1 1 89 89 SER HB2 H 1 3.829 0.02 . 2 . . . . 89 S HB1 . 17864 1 1009 . 1 1 89 89 SER HB3 H 1 3.829 0.02 . 2 . . . . 89 S HB2 . 17864 1 1010 . 1 1 89 89 SER C C 13 178.723 0.2 . 1 . . . . 89 S C . 17864 1 1011 . 1 1 89 89 SER CA C 13 59.843 0.2 . 1 . . . . 89 S CA . 17864 1 1012 . 1 1 89 89 SER CB C 13 64.966 0.2 . 1 . . . . 89 S CB . 17864 1 1013 . 1 1 89 89 SER N N 15 121.218 0.2 . 1 . . . . 89 S N . 17864 1 stop_ save_