data_18471 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18471 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for PWWP domain from Trypanosoma brucei ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-05-17 _Entry.Accession_date 2012-05-17 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Kun Dai . . . 18471 2 Shanhui Liao . . . 18471 3 Jiahai Zhang . . . 18471 4 Xiaoming Tu . . . 18471 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18471 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 298 18471 '15N chemical shifts' 101 18471 '1H chemical shifts' 645 18471 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2014-02-24 2012-05-17 update BMRB 'update entry citation' 18471 1 . . 2012-08-29 2012-05-17 original author 'original release' 18471 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18471 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22836947 _Citation.Full_citation . _Citation.Title 'H, C and N resonance assignments of TbTFIIS2-2 PWWP domain from Trypanosoma brucei.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 7 _Citation.Journal_issue 2 _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 207 _Citation.Page_last 209 _Citation.Year 2013 _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 Jiahai Zhang . . . 18471 1 2 Kun Dai . . . 18471 1 3 Shanhui Liao . . . 18471 1 4 Xiaoming Tu . . . 18471 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18471 _Assembly.ID 1 _Assembly.Name PWWP_domain _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 PWWP_domain 1 $PWWP_domain A . yes native no no . . . 18471 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PWWP_domain _Entity.Sf_category entity _Entity.Sf_framecode PWWP_domain _Entity.Entry_ID 18471 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PWWP_domain _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 ; MIPSFAPGTLVWLKQDRFPW WPGFVMDPDEVRDITLPEGS DVWVCCLPRDSLTLSAANSE DEGQIRYFLPDRDEGMMEEG KLDASCAVAIEEAIQLYEEQ LKAQAGGTNELEHHHHHH ; _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 118 _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 EMBL CBH09455 . "hypothetical protein, conserved [Trypanosoma brucei gambiense DAL972]" . . . . . 93.22 381 98.18 98.18 3.63e-72 . . . . 18471 1 2 no GB AAQ15805 . "hypothetical protein, conserved [Trypanosoma brucei brucei TREU927]" . . . . . 93.22 381 100.00 100.00 2.84e-74 . . . . 18471 1 3 no GB AAX79611 . "hypothetical protein, conserved [Trypanosoma brucei]" . . . . . 93.22 381 100.00 100.00 2.84e-74 . . . . 18471 1 4 no REF XP_011771760 . "hypothetical protein, conserved [Trypanosoma brucei gambiense DAL972]" . . . . . 93.22 381 98.18 98.18 3.63e-72 . . . . 18471 1 5 no REF XP_951596 . "hypothetical protein [Trypanosoma brucei brucei TREU927]" . . . . . 93.22 381 100.00 100.00 2.84e-74 . . . . 18471 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 MET . 18471 1 2 2 ILE . 18471 1 3 3 PRO . 18471 1 4 4 SER . 18471 1 5 5 PHE . 18471 1 6 6 ALA . 18471 1 7 7 PRO . 18471 1 8 8 GLY . 18471 1 9 9 THR . 18471 1 10 10 LEU . 18471 1 11 11 VAL . 18471 1 12 12 TRP . 18471 1 13 13 LEU . 18471 1 14 14 LYS . 18471 1 15 15 GLN . 18471 1 16 16 ASP . 18471 1 17 17 ARG . 18471 1 18 18 PHE . 18471 1 19 19 PRO . 18471 1 20 20 TRP . 18471 1 21 21 TRP . 18471 1 22 22 PRO . 18471 1 23 23 GLY . 18471 1 24 24 PHE . 18471 1 25 25 VAL . 18471 1 26 26 MET . 18471 1 27 27 ASP . 18471 1 28 28 PRO . 18471 1 29 29 ASP . 18471 1 30 30 GLU . 18471 1 31 31 VAL . 18471 1 32 32 ARG . 18471 1 33 33 ASP . 18471 1 34 34 ILE . 18471 1 35 35 THR . 18471 1 36 36 LEU . 18471 1 37 37 PRO . 18471 1 38 38 GLU . 18471 1 39 39 GLY . 18471 1 40 40 SER . 18471 1 41 41 ASP . 18471 1 42 42 VAL . 18471 1 43 43 TRP . 18471 1 44 44 VAL . 18471 1 45 45 CYS . 18471 1 46 46 CYS . 18471 1 47 47 LEU . 18471 1 48 48 PRO . 18471 1 49 49 ARG . 18471 1 50 50 ASP . 18471 1 51 51 SER . 18471 1 52 52 LEU . 18471 1 53 53 THR . 18471 1 54 54 LEU . 18471 1 55 55 SER . 18471 1 56 56 ALA . 18471 1 57 57 ALA . 18471 1 58 58 ASN . 18471 1 59 59 SER . 18471 1 60 60 GLU . 18471 1 61 61 ASP . 18471 1 62 62 GLU . 18471 1 63 63 GLY . 18471 1 64 64 GLN . 18471 1 65 65 ILE . 18471 1 66 66 ARG . 18471 1 67 67 TYR . 18471 1 68 68 PHE . 18471 1 69 69 LEU . 18471 1 70 70 PRO . 18471 1 71 71 ASP . 18471 1 72 72 ARG . 18471 1 73 73 ASP . 18471 1 74 74 GLU . 18471 1 75 75 GLY . 18471 1 76 76 MET . 18471 1 77 77 MET . 18471 1 78 78 GLU . 18471 1 79 79 GLU . 18471 1 80 80 GLY . 18471 1 81 81 LYS . 18471 1 82 82 LEU . 18471 1 83 83 ASP . 18471 1 84 84 ALA . 18471 1 85 85 SER . 18471 1 86 86 CYS . 18471 1 87 87 ALA . 18471 1 88 88 VAL . 18471 1 89 89 ALA . 18471 1 90 90 ILE . 18471 1 91 91 GLU . 18471 1 92 92 GLU . 18471 1 93 93 ALA . 18471 1 94 94 ILE . 18471 1 95 95 GLN . 18471 1 96 96 LEU . 18471 1 97 97 TYR . 18471 1 98 98 GLU . 18471 1 99 99 GLU . 18471 1 100 100 GLN . 18471 1 101 101 LEU . 18471 1 102 102 LYS . 18471 1 103 103 ALA . 18471 1 104 104 GLN . 18471 1 105 105 ALA . 18471 1 106 106 GLY . 18471 1 107 107 GLY . 18471 1 108 108 THR . 18471 1 109 109 ASN . 18471 1 110 110 GLU . 18471 1 111 111 LEU . 18471 1 112 112 GLU . 18471 1 113 113 HIS . 18471 1 114 114 HIS . 18471 1 115 115 HIS . 18471 1 116 116 HIS . 18471 1 117 117 HIS . 18471 1 118 118 HIS . 18471 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 18471 1 . ILE 2 2 18471 1 . PRO 3 3 18471 1 . SER 4 4 18471 1 . PHE 5 5 18471 1 . ALA 6 6 18471 1 . PRO 7 7 18471 1 . GLY 8 8 18471 1 . THR 9 9 18471 1 . LEU 10 10 18471 1 . VAL 11 11 18471 1 . TRP 12 12 18471 1 . LEU 13 13 18471 1 . LYS 14 14 18471 1 . GLN 15 15 18471 1 . ASP 16 16 18471 1 . ARG 17 17 18471 1 . PHE 18 18 18471 1 . PRO 19 19 18471 1 . TRP 20 20 18471 1 . TRP 21 21 18471 1 . PRO 22 22 18471 1 . GLY 23 23 18471 1 . PHE 24 24 18471 1 . VAL 25 25 18471 1 . MET 26 26 18471 1 . ASP 27 27 18471 1 . PRO 28 28 18471 1 . ASP 29 29 18471 1 . GLU 30 30 18471 1 . VAL 31 31 18471 1 . ARG 32 32 18471 1 . ASP 33 33 18471 1 . ILE 34 34 18471 1 . THR 35 35 18471 1 . LEU 36 36 18471 1 . PRO 37 37 18471 1 . GLU 38 38 18471 1 . GLY 39 39 18471 1 . SER 40 40 18471 1 . ASP 41 41 18471 1 . VAL 42 42 18471 1 . TRP 43 43 18471 1 . VAL 44 44 18471 1 . CYS 45 45 18471 1 . CYS 46 46 18471 1 . LEU 47 47 18471 1 . PRO 48 48 18471 1 . ARG 49 49 18471 1 . ASP 50 50 18471 1 . SER 51 51 18471 1 . LEU 52 52 18471 1 . THR 53 53 18471 1 . LEU 54 54 18471 1 . SER 55 55 18471 1 . ALA 56 56 18471 1 . ALA 57 57 18471 1 . ASN 58 58 18471 1 . SER 59 59 18471 1 . GLU 60 60 18471 1 . ASP 61 61 18471 1 . GLU 62 62 18471 1 . GLY 63 63 18471 1 . GLN 64 64 18471 1 . ILE 65 65 18471 1 . ARG 66 66 18471 1 . TYR 67 67 18471 1 . PHE 68 68 18471 1 . LEU 69 69 18471 1 . PRO 70 70 18471 1 . ASP 71 71 18471 1 . ARG 72 72 18471 1 . ASP 73 73 18471 1 . GLU 74 74 18471 1 . GLY 75 75 18471 1 . MET 76 76 18471 1 . MET 77 77 18471 1 . GLU 78 78 18471 1 . GLU 79 79 18471 1 . GLY 80 80 18471 1 . LYS 81 81 18471 1 . LEU 82 82 18471 1 . ASP 83 83 18471 1 . ALA 84 84 18471 1 . SER 85 85 18471 1 . CYS 86 86 18471 1 . ALA 87 87 18471 1 . VAL 88 88 18471 1 . ALA 89 89 18471 1 . ILE 90 90 18471 1 . GLU 91 91 18471 1 . GLU 92 92 18471 1 . ALA 93 93 18471 1 . ILE 94 94 18471 1 . GLN 95 95 18471 1 . LEU 96 96 18471 1 . TYR 97 97 18471 1 . GLU 98 98 18471 1 . GLU 99 99 18471 1 . GLN 100 100 18471 1 . LEU 101 101 18471 1 . LYS 102 102 18471 1 . ALA 103 103 18471 1 . GLN 104 104 18471 1 . ALA 105 105 18471 1 . GLY 106 106 18471 1 . GLY 107 107 18471 1 . THR 108 108 18471 1 . ASN 109 109 18471 1 . GLU 110 110 18471 1 . LEU 111 111 18471 1 . GLU 112 112 18471 1 . HIS 113 113 18471 1 . HIS 114 114 18471 1 . HIS 115 115 18471 1 . HIS 116 116 18471 1 . HIS 117 117 18471 1 . HIS 118 118 18471 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 18471 _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 $PWWP_domain . 5691 organism . 'Trypanosoma brucei' Kinetoplastids . . Eukaryota . Trypanosoma brucei . . . . . . . . . . . . . . . . . . . . . 18471 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 18471 _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 $PWWP_domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . Pet22(b) . . . . . . 18471 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18471 _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 PWWP_domain '[U-99% 13C; U-99% 15N]' . . 1 $PWWP_domain . . 0.6 . . mM . . . . 18471 1 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 18471 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 18471 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 18471 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18471 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18471 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 18471 _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' 125 . mM 18471 1 pH 6.8 . pH 18471 1 pressure 1 . atm 18471 1 temperature 293 . K 18471 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18471 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18471 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18471 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 18471 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 18471 _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 DMX . 600 . . . 18471 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 18471 _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 . . . . . . . . . . . . . . . . 18471 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18471 1 3 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18471 1 4 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18471 1 5 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18471 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18471 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18471 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 18471 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18471 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18471 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18471 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 18471 _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' . . . 18471 1 2 '3D CBCA(CO)NH' . . . 18471 1 3 '3D C(CO)NH' . . . 18471 1 4 '3D HBHA(CO)NH' . . . 18471 1 5 '3D H(CCO)NH' . . . 18471 1 6 '3D HNCACB' . . . 18471 1 7 '3D 1H-15N NOESY' . . . 18471 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.062 . . 1 . . . . 1 M HA . 18471 1 2 . 1 1 1 1 MET HB2 H 1 2.044 . . 2 . . . . 1 M HB . 18471 1 3 . 1 1 1 1 MET HB3 H 1 2.044 . . 2 . . . . 1 M HB . 18471 1 4 . 1 1 1 1 MET HG2 H 1 2.529 . . 2 . . . . 1 M HG . 18471 1 5 . 1 1 1 1 MET HG3 H 1 2.529 . . 2 . . . . 1 M HG . 18471 1 6 . 1 1 1 1 MET CA C 13 52.084 . . 1 . . . . 1 M CA . 18471 1 7 . 1 1 1 1 MET CB C 13 30.024 . . 1 . . . . 1 M CB . 18471 1 8 . 1 1 1 1 MET CG C 13 27.559 . . 1 . . . . 1 M CG . 18471 1 9 . 1 1 2 2 ILE H H 1 8.328 . . 1 . . . . 2 I NH . 18471 1 10 . 1 1 2 2 ILE HA H 1 4.833 . . 1 . . . . 2 I HA . 18471 1 11 . 1 1 2 2 ILE HB H 1 1.738 . . 1 . . . . 2 I HB . 18471 1 12 . 1 1 2 2 ILE HG12 H 1 1.150 . . 2 . . . . 2 I HG1# . 18471 1 13 . 1 1 2 2 ILE HG13 H 1 1.150 . . 2 . . . . 2 I HG1# . 18471 1 14 . 1 1 2 2 ILE HG21 H 1 0.845 . . 1 . . . . 2 I HG2# . 18471 1 15 . 1 1 2 2 ILE HG22 H 1 0.845 . . 1 . . . . 2 I HG2# . 18471 1 16 . 1 1 2 2 ILE HG23 H 1 0.845 . . 1 . . . . 2 I HG2# . 18471 1 17 . 1 1 2 2 ILE HD11 H 1 0.952 . . 1 . . . . 2 I HD1# . 18471 1 18 . 1 1 2 2 ILE HD12 H 1 0.952 . . 1 . . . . 2 I HD1# . 18471 1 19 . 1 1 2 2 ILE HD13 H 1 0.952 . . 1 . . . . 2 I HD1# . 18471 1 20 . 1 1 2 2 ILE CA C 13 55.447 . . 1 . . . . 2 I CA . 18471 1 21 . 1 1 2 2 ILE CB C 13 37.569 . . 1 . . . . 2 I CB . 18471 1 22 . 1 1 2 2 ILE N N 15 123.014 . . 1 . . . . 2 I N . 18471 1 23 . 1 1 3 3 PRO HA H 1 4.355 . . 1 . . . . 3 P HA . 18471 1 24 . 1 1 3 3 PRO HB2 H 1 2.132 . . 2 . . . . 3 P HB2 . 18471 1 25 . 1 1 3 3 PRO HB3 H 1 1.757 . . 2 . . . . 3 P HB3 . 18471 1 26 . 1 1 3 3 PRO HG2 H 1 1.970 . . 2 . . . . 3 P HG . 18471 1 27 . 1 1 3 3 PRO HG3 H 1 1.970 . . 2 . . . . 3 P HG . 18471 1 28 . 1 1 3 3 PRO HD2 H 1 3.890 . . 2 . . . . 3 P HD2 . 18471 1 29 . 1 1 3 3 PRO HD3 H 1 3.687 . . 2 . . . . 3 P HD3 . 18471 1 30 . 1 1 3 3 PRO CA C 13 60.386 . . 1 . . . . 3 P CA . 18471 1 31 . 1 1 3 3 PRO CB C 13 29.201 . . 1 . . . . 3 P CB . 18471 1 32 . 1 1 3 3 PRO CG C 13 24.588 . . 1 . . . . 3 P CG . 18471 1 33 . 1 1 3 3 PRO CD C 13 48.208 . . 1 . . . . 3 P CD . 18471 1 34 . 1 1 4 4 SER H H 1 8.225 . . 1 . . . . 4 S NH . 18471 1 35 . 1 1 4 4 SER HA H 1 4.354 . . 1 . . . . 4 S HA . 18471 1 36 . 1 1 4 4 SER HB2 H 1 3.764 . . 2 . . . . 4 S HB . 18471 1 37 . 1 1 4 4 SER HB3 H 1 3.764 . . 2 . . . . 4 S HB . 18471 1 38 . 1 1 4 4 SER CA C 13 55.589 . . 1 . . . . 4 S CA . 18471 1 39 . 1 1 4 4 SER CB C 13 61.054 . . 1 . . . . 4 S CB . 18471 1 40 . 1 1 4 4 SER N N 15 115.507 . . 1 . . . . 4 S N . 18471 1 41 . 1 1 5 5 PHE H H 1 8.365 . . 1 . . . . 5 F NH . 18471 1 42 . 1 1 5 5 PHE HA H 1 4.541 . . 1 . . . . 5 F HA . 18471 1 43 . 1 1 5 5 PHE HB2 H 1 2.963 . . 2 . . . . 5 F HB2 . 18471 1 44 . 1 1 5 5 PHE HB3 H 1 2.815 . . 2 . . . . 5 F HB3 . 18471 1 45 . 1 1 5 5 PHE CA C 13 54.526 . . 1 . . . . 5 F CA . 18471 1 46 . 1 1 5 5 PHE CB C 13 36.183 . . 1 . . . . 5 F CB . 18471 1 47 . 1 1 5 5 PHE N N 15 121.200 . . 1 . . . . 5 F N . 18471 1 48 . 1 1 6 6 ALA H H 1 8.002 . . 1 . . . . 6 A NH . 18471 1 49 . 1 1 6 6 ALA HB1 H 1 1.388 . . 1 . . . . 6 A HB . 18471 1 50 . 1 1 6 6 ALA HB2 H 1 1.388 . . 1 . . . . 6 A HB . 18471 1 51 . 1 1 6 6 ALA HB3 H 1 1.388 . . 1 . . . . 6 A HB . 18471 1 52 . 1 1 6 6 ALA N N 15 123.543 . . 1 . . . . 6 A N . 18471 1 53 . 1 1 7 7 PRO HA H 1 4.049 . . 1 . . . . 7 P HA . 18471 1 54 . 1 1 7 7 PRO HB2 H 1 2.186 . . 2 . . . . 7 P HB2 . 18471 1 55 . 1 1 7 7 PRO HB3 H 1 2.016 . . 2 . . . . 7 P HB3 . 18471 1 56 . 1 1 7 7 PRO HG2 H 1 2.062 . . 2 . . . . 7 P HG . 18471 1 57 . 1 1 7 7 PRO HG3 H 1 2.062 . . 2 . . . . 7 P HG . 18471 1 58 . 1 1 7 7 PRO HD2 H 1 2.388 . . 2 . . . . 7 P HD . 18471 1 59 . 1 1 7 7 PRO HD3 H 1 2.388 . . 2 . . . . 7 P HD . 18471 1 60 . 1 1 7 7 PRO CA C 13 61.635 . . 1 . . . . 7 P CA . 18471 1 61 . 1 1 7 7 PRO CB C 13 28.602 . . 1 . . . . 7 P CB . 18471 1 62 . 1 1 7 7 PRO CG C 13 25.732 . . 1 . . . . 7 P CG . 18471 1 63 . 1 1 7 7 PRO CD C 13 47.689 . . 1 . . . . 7 P CD . 18471 1 64 . 1 1 8 8 GLY H H 1 9.625 . . 1 . . . . 8 G NH . 18471 1 65 . 1 1 8 8 GLY HA2 H 1 4.476 . . 2 . . . . 8 G HA2 . 18471 1 66 . 1 1 8 8 GLY HA3 H 1 3.524 . . 2 . . . . 8 G HA3 . 18471 1 67 . 1 1 8 8 GLY CA C 13 41.883 . . 1 . . . . 8 G CA . 18471 1 68 . 1 1 8 8 GLY N N 15 113.942 . . 1 . . . . 8 G N . 18471 1 69 . 1 1 9 9 THR H H 1 8.071 . . 1 . . . . 9 T NH . 18471 1 70 . 1 1 9 9 THR HA H 1 4.210 . . 1 . . . . 9 T HA . 18471 1 71 . 1 1 9 9 THR HB H 1 4.191 . . 1 . . . . 9 T HB . 18471 1 72 . 1 1 9 9 THR HG21 H 1 1.530 . . 1 . . . . 9 T HG2# . 18471 1 73 . 1 1 9 9 THR HG22 H 1 1.530 . . 1 . . . . 9 T HG2# . 18471 1 74 . 1 1 9 9 THR HG23 H 1 1.530 . . 1 . . . . 9 T HG2# . 18471 1 75 . 1 1 9 9 THR CA C 13 62.021 . . 1 . . . . 9 T CA . 18471 1 76 . 1 1 9 9 THR CB C 13 66.809 . . 1 . . . . 9 T CB . 18471 1 77 . 1 1 9 9 THR CG2 C 13 18.795 . . 1 . . . . 9 T CG . 18471 1 78 . 1 1 9 9 THR N N 15 117.710 . . 1 . . . . 9 T N . 18471 1 79 . 1 1 10 10 LEU H H 1 9.409 . . 1 . . . . 10 L NH . 18471 1 80 . 1 1 10 10 LEU HA H 1 5.141 . . 1 . . . . 10 L HA . 18471 1 81 . 1 1 10 10 LEU HB2 H 1 2.224 . . 2 . . . . 10 L HB2 . 18471 1 82 . 1 1 10 10 LEU HB3 H 1 1.320 . . 2 . . . . 10 L HB3 . 18471 1 83 . 1 1 10 10 LEU HG H 1 1.933 . . 1 . . . . 10 L HG . 18471 1 84 . 1 1 10 10 LEU HD11 H 1 0.865 . . 2 . . . . 10 L HD1# . 18471 1 85 . 1 1 10 10 LEU HD12 H 1 0.865 . . 2 . . . . 10 L HD1# . 18471 1 86 . 1 1 10 10 LEU HD13 H 1 0.865 . . 2 . . . . 10 L HD1# . 18471 1 87 . 1 1 10 10 LEU HD21 H 1 1.045 . . 2 . . . . 10 L HD2# . 18471 1 88 . 1 1 10 10 LEU HD22 H 1 1.045 . . 2 . . . . 10 L HD2# . 18471 1 89 . 1 1 10 10 LEU HD23 H 1 1.045 . . 2 . . . . 10 L HD2# . 18471 1 90 . 1 1 10 10 LEU CA C 13 51.910 . . 1 . . . . 10 L CA . 18471 1 91 . 1 1 10 10 LEU CB C 13 39.725 . . 1 . . . . 10 L CB . 18471 1 92 . 1 1 10 10 LEU CG C 13 23.453 . . 1 . . . . 10 L CG . 18471 1 93 . 1 1 10 10 LEU CD1 C 13 20.631 . . 2 . . . . 10 L CD . 18471 1 94 . 1 1 10 10 LEU CD2 C 13 20.631 . . 2 . . . . 10 L CD . 18471 1 95 . 1 1 10 10 LEU N N 15 128.814 . . 1 . . . . 10 L N . 18471 1 96 . 1 1 11 11 VAL H H 1 9.111 . . 1 . . . . 11 V NH . 18471 1 97 . 1 1 11 11 VAL HA H 1 5.299 . . 1 . . . . 11 V HA . 18471 1 98 . 1 1 11 11 VAL HB H 1 2.404 . . 1 . . . . 11 V HB . 18471 1 99 . 1 1 11 11 VAL HG11 H 1 0.722 . . 2 . . . . 11 V HG1# . 18471 1 100 . 1 1 11 11 VAL HG12 H 1 0.722 . . 2 . . . . 11 V HG1# . 18471 1 101 . 1 1 11 11 VAL HG13 H 1 0.722 . . 2 . . . . 11 V HG1# . 18471 1 102 . 1 1 11 11 VAL HG21 H 1 0.428 . . 2 . . . . 11 V HG2# . 18471 1 103 . 1 1 11 11 VAL HG22 H 1 0.428 . . 2 . . . . 11 V HG2# . 18471 1 104 . 1 1 11 11 VAL HG23 H 1 0.428 . . 2 . . . . 11 V HG2# . 18471 1 105 . 1 1 11 11 VAL CA C 13 55.949 . . 1 . . . . 11 V CA . 18471 1 106 . 1 1 11 11 VAL CB C 13 32.827 . . 1 . . . . 11 V CB . 18471 1 107 . 1 1 11 11 VAL CG1 C 13 19.826 . . 2 . . . . 11 V CG1 . 18471 1 108 . 1 1 11 11 VAL CG2 C 13 14.811 . . 2 . . . . 11 V CG2 . 18471 1 109 . 1 1 11 11 VAL N N 15 117.450 . . 1 . . . . 11 V N . 18471 1 110 . 1 1 12 12 TRP H H 1 9.204 . . 1 . . . . 12 W NH . 18471 1 111 . 1 1 12 12 TRP HA H 1 5.149 . . 1 . . . . 12 W HA . 18471 1 112 . 1 1 12 12 TRP HB2 H 1 3.516 . . 2 . . . . 12 W HB2 . 18471 1 113 . 1 1 12 12 TRP HB3 H 1 2.806 . . 2 . . . . 12 W HB3 . 18471 1 114 . 1 1 12 12 TRP CA C 13 53.268 . . 1 . . . . 12 W CA . 18471 1 115 . 1 1 12 12 TRP CB C 13 31.550 . . 1 . . . . 12 W CB . 18471 1 116 . 1 1 12 12 TRP N N 15 117.688 . . 1 . . . . 12 W N . 18471 1 117 . 1 1 13 13 LEU H H 1 9.972 . . 1 . . . . 13 L NH . 18471 1 118 . 1 1 13 13 LEU HA H 1 5.532 . . 1 . . . . 13 L HA . 18471 1 119 . 1 1 13 13 LEU HB2 H 1 1.943 . . 2 . . . . 13 L HB2 . 18471 1 120 . 1 1 13 13 LEU HB3 H 1 1.142 . . 2 . . . . 13 L HB3 . 18471 1 121 . 1 1 13 13 LEU HG H 1 1.212 . . 1 . . . . 13 L HG . 18471 1 122 . 1 1 13 13 LEU HD11 H 1 0.775 . . 2 . . . . 13 L HD1# . 18471 1 123 . 1 1 13 13 LEU HD12 H 1 0.775 . . 2 . . . . 13 L HD1# . 18471 1 124 . 1 1 13 13 LEU HD13 H 1 0.775 . . 2 . . . . 13 L HD1# . 18471 1 125 . 1 1 13 13 LEU HD21 H 1 0.600 . . 2 . . . . 13 L HD2# . 18471 1 126 . 1 1 13 13 LEU HD22 H 1 0.600 . . 2 . . . . 13 L HD2# . 18471 1 127 . 1 1 13 13 LEU HD23 H 1 0.600 . . 2 . . . . 13 L HD2# . 18471 1 128 . 1 1 13 13 LEU CA C 13 49.803 . . 1 . . . . 13 L CA . 18471 1 129 . 1 1 13 13 LEU CB C 13 43.824 . . 1 . . . . 13 L CB . 18471 1 130 . 1 1 13 13 LEU CD1 C 13 23.358 . . 2 . . . . 13 L CD1 . 18471 1 131 . 1 1 13 13 LEU CD2 C 13 21.041 . . 2 . . . . 13 L CD2 . 18471 1 132 . 1 1 13 13 LEU N N 15 123.309 . . 1 . . . . 13 L N . 18471 1 133 . 1 1 14 14 LYS H H 1 9.295 . . 1 . . . . 14 K NH . 18471 1 134 . 1 1 14 14 LYS HA H 1 4.162 . . 1 . . . . 14 K HA . 18471 1 135 . 1 1 14 14 LYS HB2 H 1 1.211 . . 2 . . . . 14 K HB2 . 18471 1 136 . 1 1 14 14 LYS HB3 H 1 0.997 . . 2 . . . . 14 K HB3 . 18471 1 137 . 1 1 14 14 LYS HG2 H 1 1.056 . . 2 . . . . 14 K HG . 18471 1 138 . 1 1 14 14 LYS HG3 H 1 1.056 . . 2 . . . . 14 K HG . 18471 1 139 . 1 1 14 14 LYS HD2 H 1 0.622 . . 2 . . . . 14 K HD . 18471 1 140 . 1 1 14 14 LYS HD3 H 1 0.622 . . 2 . . . . 14 K HD . 18471 1 141 . 1 1 14 14 LYS CA C 13 50.287 . . 1 . . . . 14 K CA . 18471 1 142 . 1 1 14 14 LYS CB C 13 28.258 . . 1 . . . . 14 K CB . 18471 1 143 . 1 1 14 14 LYS CG C 13 20.871 . . 1 . . . . 14 K CG . 18471 1 144 . 1 1 14 14 LYS CD C 13 24.146 . . 1 . . . . 14 K CD . 18471 1 145 . 1 1 14 14 LYS CE C 13 39.887 . . 1 . . . . 14 K CE . 18471 1 146 . 1 1 14 14 LYS N N 15 133.286 . . 1 . . . . 14 K N . 18471 1 147 . 1 1 15 15 GLN H H 1 8.280 . . 1 . . . . 15 Q NH . 18471 1 148 . 1 1 15 15 GLN HA H 1 4.532 . . 1 . . . . 15 Q HA . 18471 1 149 . 1 1 15 15 GLN HB2 H 1 2.073 . . 2 . . . . 15 Q HB2 . 18471 1 150 . 1 1 15 15 GLN HB3 H 1 1.801 . . 2 . . . . 15 Q HB3 . 18471 1 151 . 1 1 15 15 GLN HG2 H 1 2.042 . . 2 . . . . 15 Q HG . 18471 1 152 . 1 1 15 15 GLN HG3 H 1 2.042 . . 2 . . . . 15 Q HG . 18471 1 153 . 1 1 15 15 GLN CA C 13 50.599 . . 1 . . . . 15 Q CA . 18471 1 154 . 1 1 15 15 GLN CB C 13 29.536 . . 1 . . . . 15 Q CB . 18471 1 155 . 1 1 15 15 GLN CG C 13 31.001 . . 1 . . . . 15 Q CG . 18471 1 156 . 1 1 15 15 GLN N N 15 127.591 . . 1 . . . . 15 Q N . 18471 1 157 . 1 1 16 16 ASP H H 1 8.728 . . 1 . . . . 16 D NH . 18471 1 158 . 1 1 16 16 ASP HA H 1 4.176 . . 1 . . . . 16 D HA . 18471 1 159 . 1 1 16 16 ASP HB2 H 1 2.570 . . 2 . . . . 16 D HB . 18471 1 160 . 1 1 16 16 ASP HB3 H 1 2.570 . . 2 . . . . 16 D HB . 18471 1 161 . 1 1 16 16 ASP CA C 13 53.561 . . 1 . . . . 16 D CA . 18471 1 162 . 1 1 16 16 ASP CB C 13 37.775 . . 1 . . . . 16 D CB . 18471 1 163 . 1 1 16 16 ASP N N 15 122.752 . . 1 . . . . 16 D N . 18471 1 164 . 1 1 17 17 ARG H H 1 8.355 . . 1 . . . . 17 R NH . 18471 1 165 . 1 1 17 17 ARG HA H 1 3.836 . . 1 . . . . 17 R HA . 18471 1 166 . 1 1 17 17 ARG HB2 H 1 1.827 . . 2 . . . . 17 R HB2 . 18471 1 167 . 1 1 17 17 ARG HB3 H 1 1.664 . . 2 . . . . 17 R HB3 . 18471 1 168 . 1 1 17 17 ARG HG2 H 1 1.363 . . 2 . . . . 17 R HG . 18471 1 169 . 1 1 17 17 ARG HG3 H 1 1.363 . . 2 . . . . 17 R HG . 18471 1 170 . 1 1 17 17 ARG HD2 H 1 3.063 . . 2 . . . . 17 R HD . 18471 1 171 . 1 1 17 17 ARG HD3 H 1 3.063 . . 2 . . . . 17 R HD . 18471 1 172 . 1 1 17 17 ARG CA C 13 54.630 . . 1 . . . . 17 R CA . 18471 1 173 . 1 1 17 17 ARG CB C 13 24.951 . . 1 . . . . 17 R CB . 18471 1 174 . 1 1 17 17 ARG CD C 13 40.178 . . 1 . . . . 17 R CD . 18471 1 175 . 1 1 17 17 ARG N N 15 114.576 . . 1 . . . . 17 R N . 18471 1 176 . 1 1 18 18 PHE H H 1 7.860 . . 1 . . . . 18 F NH . 18471 1 177 . 1 1 18 18 PHE HA H 1 5.052 . . 1 . . . . 18 F HA . 18471 1 178 . 1 1 18 18 PHE HB2 H 1 3.389 . . 2 . . . . 18 F HB2 . 18471 1 179 . 1 1 18 18 PHE HB3 H 1 2.796 . . 2 . . . . 18 F HB3 . 18471 1 180 . 1 1 18 18 PHE CA C 13 53.306 . . 1 . . . . 18 F CA . 18471 1 181 . 1 1 18 18 PHE CB C 13 38.132 . . 1 . . . . 18 F CB . 18471 1 182 . 1 1 18 18 PHE N N 15 119.316 . . 1 . . . . 18 F N . 18471 1 183 . 1 1 19 19 PRO HA H 1 4.730 . . 1 . . . . 19 P HA . 18471 1 184 . 1 1 19 19 PRO HB2 H 1 2.424 . . 2 . . . . 19 P HB . 18471 1 185 . 1 1 19 19 PRO HB3 H 1 2.424 . . 2 . . . . 19 P HB . 18471 1 186 . 1 1 19 19 PRO HD2 H 1 4.183 . . 2 . . . . 19 P HD . 18471 1 187 . 1 1 19 19 PRO HD3 H 1 4.183 . . 2 . . . . 19 P HD . 18471 1 188 . 1 1 19 19 PRO CA C 13 59.195 . . 1 . . . . 19 P CA . 18471 1 189 . 1 1 19 19 PRO CB C 13 28.818 . . 1 . . . . 19 P CB . 18471 1 190 . 1 1 19 19 PRO CG C 13 24.178 . . 1 . . . . 19 P CG . 18471 1 191 . 1 1 19 19 PRO CD C 13 47.720 . . 1 . . . . 19 P CD . 18471 1 192 . 1 1 20 20 TRP H H 1 8.031 . . 1 . . . . 20 W NH . 18471 1 193 . 1 1 20 20 TRP HA H 1 4.115 . . 1 . . . . 20 W HA . 18471 1 194 . 1 1 20 20 TRP HB2 H 1 2.946 . . 2 . . . . 20 W HB2 . 18471 1 195 . 1 1 20 20 TRP HB3 H 1 2.769 . . 2 . . . . 20 W HB3 . 18471 1 196 . 1 1 20 20 TRP CA C 13 57.568 . . 1 . . . . 20 W CA . 18471 1 197 . 1 1 20 20 TRP CB C 13 26.208 . . 1 . . . . 20 W CB . 18471 1 198 . 1 1 20 20 TRP N N 15 121.569 . . 1 . . . . 20 W N . 18471 1 199 . 1 1 21 21 TRP H H 1 9.223 . . 1 . . . . 21 W NH . 18471 1 200 . 1 1 21 21 TRP HB2 H 1 3.562 . . 2 . . . . 21 W HB . 18471 1 201 . 1 1 21 21 TRP HB3 H 1 3.562 . . 2 . . . . 21 W HB . 18471 1 202 . 1 1 21 21 TRP CA C 13 52.214 . . 1 . . . . 21 W CA . 18471 1 203 . 1 1 21 21 TRP CB C 13 30.308 . . 1 . . . . 21 W CB . 18471 1 204 . 1 1 21 21 TRP N N 15 126.349 . . 1 . . . . 21 W N . 18471 1 205 . 1 1 22 22 PRO HA H 1 5.141 . . 1 . . . . 22 P HA . 18471 1 206 . 1 1 22 22 PRO HB2 H 1 1.171 . . 2 . . . . 22 P HB . 18471 1 207 . 1 1 22 22 PRO HB3 H 1 1.171 . . 2 . . . . 22 P HB . 18471 1 208 . 1 1 22 22 PRO HG2 H 1 1.342 . . 2 . . . . 22 P HG . 18471 1 209 . 1 1 22 22 PRO HG3 H 1 1.342 . . 2 . . . . 22 P HG . 18471 1 210 . 1 1 22 22 PRO HD2 H 1 3.741 . . 2 . . . . 22 P HD2 . 18471 1 211 . 1 1 22 22 PRO HD3 H 1 2.899 . . 2 . . . . 22 P HD3 . 18471 1 212 . 1 1 22 22 PRO CA C 13 59.137 . . 1 . . . . 22 P CA . 18471 1 213 . 1 1 22 22 PRO CB C 13 29.832 . . 1 . . . . 22 P CB . 18471 1 214 . 1 1 22 22 PRO CG C 13 24.779 . . 1 . . . . 22 P CG . 18471 1 215 . 1 1 22 22 PRO CD C 13 48.280 . . 1 . . . . 22 P CD . 18471 1 216 . 1 1 23 23 GLY H H 1 8.977 . . 1 . . . . 23 G NH . 18471 1 217 . 1 1 23 23 GLY HA2 H 1 4.443 . . 2 . . . . 23 G HA2 . 18471 1 218 . 1 1 23 23 GLY HA3 H 1 3.771 . . 2 . . . . 23 G HA3 . 18471 1 219 . 1 1 23 23 GLY CA C 13 43.275 . . 1 . . . . 23 G CA . 18471 1 220 . 1 1 23 23 GLY N N 15 109.097 . . 1 . . . . 23 G N . 18471 1 221 . 1 1 24 24 PHE H H 1 8.455 . . 1 . . . . 24 F NH . 18471 1 222 . 1 1 24 24 PHE HA H 1 5.991 . . 1 . . . . 24 F HA . 18471 1 223 . 1 1 24 24 PHE HB2 H 1 2.851 . . 2 . . . . 24 F HB2 . 18471 1 224 . 1 1 24 24 PHE HB3 H 1 2.650 . . 2 . . . . 24 F HB3 . 18471 1 225 . 1 1 24 24 PHE CA C 13 51.089 . . 1 . . . . 24 F CA . 18471 1 226 . 1 1 24 24 PHE CB C 13 39.727 . . 1 . . . . 24 F CB . 18471 1 227 . 1 1 24 24 PHE N N 15 114.041 . . 1 . . . . 24 F N . 18471 1 228 . 1 1 25 25 VAL H H 1 8.537 . . 1 . . . . 25 V NH . 18471 1 229 . 1 1 25 25 VAL HA H 1 4.302 . . 1 . . . . 25 V HA . 18471 1 230 . 1 1 25 25 VAL HB H 1 2.189 . . 1 . . . . 25 V HB . 18471 1 231 . 1 1 25 25 VAL HG11 H 1 1.107 . . 2 . . . . 25 V HG1# . 18471 1 232 . 1 1 25 25 VAL HG12 H 1 1.107 . . 2 . . . . 25 V HG1# . 18471 1 233 . 1 1 25 25 VAL HG13 H 1 1.107 . . 2 . . . . 25 V HG1# . 18471 1 234 . 1 1 25 25 VAL HG21 H 1 0.968 . . 2 . . . . 25 V HG2# . 18471 1 235 . 1 1 25 25 VAL HG22 H 1 0.968 . . 2 . . . . 25 V HG2# . 18471 1 236 . 1 1 25 25 VAL HG23 H 1 0.968 . . 2 . . . . 25 V HG2# . 18471 1 237 . 1 1 25 25 VAL CA C 13 60.383 . . 1 . . . . 25 V CA . 18471 1 238 . 1 1 25 25 VAL CB C 13 29.180 . . 1 . . . . 25 V CB . 18471 1 239 . 1 1 25 25 VAL CG1 C 13 20.023 . . 2 . . . . 25 V CG1 . 18471 1 240 . 1 1 25 25 VAL CG2 C 13 18.190 . . 2 . . . . 25 V CG2 . 18471 1 241 . 1 1 25 25 VAL N N 15 121.619 . . 1 . . . . 25 V N . 18471 1 242 . 1 1 26 26 MET H H 1 8.853 . . 1 . . . . 26 M NH . 18471 1 243 . 1 1 26 26 MET HA H 1 4.666 . . 1 . . . . 26 M HA . 18471 1 244 . 1 1 26 26 MET HB2 H 1 1.859 . . 2 . . . . 26 M HB . 18471 1 245 . 1 1 26 26 MET HB3 H 1 1.859 . . 2 . . . . 26 M HB . 18471 1 246 . 1 1 26 26 MET HG2 H 1 2.225 . . 2 . . . . 26 M HG . 18471 1 247 . 1 1 26 26 MET HG3 H 1 2.225 . . 2 . . . . 26 M HG . 18471 1 248 . 1 1 26 26 MET CA C 13 51.028 . . 1 . . . . 26 M CA . 18471 1 249 . 1 1 26 26 MET CB C 13 30.197 . . 1 . . . . 26 M CB . 18471 1 250 . 1 1 26 26 MET CG C 13 29.221 . . 1 . . . . 26 M CG . 18471 1 251 . 1 1 26 26 MET N N 15 129.683 . . 1 . . . . 26 M N . 18471 1 252 . 1 1 27 27 ASP H H 1 8.827 . . 1 . . . . 27 D NH . 18471 1 253 . 1 1 27 27 ASP HA H 1 4.106 . . 1 . . . . 27 D HA . 18471 1 254 . 1 1 27 27 ASP HB2 H 1 2.896 . . 2 . . . . 27 D HB2 . 18471 1 255 . 1 1 27 27 ASP HB3 H 1 2.634 . . 2 . . . . 27 D HB3 . 18471 1 256 . 1 1 27 27 ASP CA C 13 48.769 . . 1 . . . . 27 D CA . 18471 1 257 . 1 1 27 27 ASP CB C 13 38.979 . . 1 . . . . 27 D CB . 18471 1 258 . 1 1 27 27 ASP N N 15 123.690 . . 1 . . . . 27 D N . 18471 1 259 . 1 1 28 28 PRO HA H 1 4.329 . . 1 . . . . 28 P HA . 18471 1 260 . 1 1 28 28 PRO HB2 H 1 2.551 . . 2 . . . . 28 P HB2 . 18471 1 261 . 1 1 28 28 PRO HB3 H 1 2.202 . . 2 . . . . 28 P HB3 . 18471 1 262 . 1 1 28 28 PRO HD2 H 1 4.128 . . 2 . . . . 28 P HD . 18471 1 263 . 1 1 28 28 PRO HD3 H 1 4.128 . . 2 . . . . 28 P HD . 18471 1 264 . 1 1 28 28 PRO CA C 13 62.024 . . 1 . . . . 28 P CA . 18471 1 265 . 1 1 28 28 PRO CB C 13 29.080 . . 1 . . . . 28 P CB . 18471 1 266 . 1 1 28 28 PRO CG C 13 24.665 . . 1 . . . . 28 P CG . 18471 1 267 . 1 1 28 28 PRO CD C 13 48.220 . . 1 . . . . 28 P CD . 18471 1 268 . 1 1 29 29 ASP H H 1 8.725 . . 1 . . . . 29 D NH . 18471 1 269 . 1 1 29 29 ASP HA H 1 4.500 . . 1 . . . . 29 D HA . 18471 1 270 . 1 1 29 29 ASP HB2 H 1 2.646 . . 2 . . . . 29 D HB . 18471 1 271 . 1 1 29 29 ASP HB3 H 1 2.646 . . 2 . . . . 29 D HB . 18471 1 272 . 1 1 29 29 ASP CA C 13 53.317 . . 1 . . . . 29 D CA . 18471 1 273 . 1 1 29 29 ASP CB C 13 37.476 . . 1 . . . . 29 D CB . 18471 1 274 . 1 1 29 29 ASP N N 15 117.898 . . 1 . . . . 29 D N . 18471 1 275 . 1 1 30 30 GLU H H 1 8.062 . . 1 . . . . 30 E NH . 18471 1 276 . 1 1 30 30 GLU HA H 1 4.268 . . 1 . . . . 30 E HA . 18471 1 277 . 1 1 30 30 GLU HB2 H 1 2.245 . . 2 . . . . 30 E HB2 . 18471 1 278 . 1 1 30 30 GLU HB3 H 1 2.060 . . 2 . . . . 30 E HB3 . 18471 1 279 . 1 1 30 30 GLU HG2 H 1 2.330 . . 2 . . . . 30 E HG2 . 18471 1 280 . 1 1 30 30 GLU HG3 H 1 2.220 . . 2 . . . . 30 E HG3 . 18471 1 281 . 1 1 30 30 GLU CA C 13 53.458 . . 1 . . . . 30 E CA . 18471 1 282 . 1 1 30 30 GLU CB C 13 27.580 . . 1 . . . . 30 E CB . 18471 1 283 . 1 1 30 30 GLU CG C 13 33.611 . . 1 . . . . 30 E CG . 18471 1 284 . 1 1 30 30 GLU N N 15 116.719 . . 1 . . . . 30 E N . 18471 1 285 . 1 1 31 31 VAL H H 1 7.183 . . 1 . . . . 31 V NH . 18471 1 286 . 1 1 31 31 VAL HA H 1 3.971 . . 1 . . . . 31 V HA . 18471 1 287 . 1 1 31 31 VAL HB H 1 1.804 . . 1 . . . . 31 V HB . 18471 1 288 . 1 1 31 31 VAL HG11 H 1 0.388 . . 2 . . . . 31 V HG1# . 18471 1 289 . 1 1 31 31 VAL HG12 H 1 0.388 . . 2 . . . . 31 V HG1# . 18471 1 290 . 1 1 31 31 VAL HG13 H 1 0.388 . . 2 . . . . 31 V HG1# . 18471 1 291 . 1 1 31 31 VAL HG21 H 1 0.065 . . 2 . . . . 31 V HG2# . 18471 1 292 . 1 1 31 31 VAL HG22 H 1 0.065 . . 2 . . . . 31 V HG2# . 18471 1 293 . 1 1 31 31 VAL HG23 H 1 0.065 . . 2 . . . . 31 V HG2# . 18471 1 294 . 1 1 31 31 VAL CA C 13 58.438 . . 1 . . . . 31 V CA . 18471 1 295 . 1 1 31 31 VAL CB C 13 28.229 . . 1 . . . . 31 V CB . 18471 1 296 . 1 1 31 31 VAL CG1 C 13 18.622 . . 2 . . . . 31 V CG1 . 18471 1 297 . 1 1 31 31 VAL CG2 C 13 17.197 . . 2 . . . . 31 V CG2 . 18471 1 298 . 1 1 31 31 VAL N N 15 119.423 . . 1 . . . . 31 V N . 18471 1 299 . 1 1 32 32 ARG H H 1 7.990 . . 1 . . . . 32 R NH . 18471 1 300 . 1 1 32 32 ARG HA H 1 4.323 . . 1 . . . . 32 R HA . 18471 1 301 . 1 1 32 32 ARG HB2 H 1 1.760 . . 2 . . . . 32 R HB . 18471 1 302 . 1 1 32 32 ARG HB3 H 1 1.760 . . 2 . . . . 32 R HB . 18471 1 303 . 1 1 32 32 ARG HG2 H 1 1.727 . . 2 . . . . 32 R HG2 . 18471 1 304 . 1 1 32 32 ARG HG3 H 1 1.553 . . 2 . . . . 32 R HG3 . 18471 1 305 . 1 1 32 32 ARG HD2 H 1 3.132 . . 2 . . . . 32 R HD . 18471 1 306 . 1 1 32 32 ARG HD3 H 1 3.132 . . 2 . . . . 32 R HD . 18471 1 307 . 1 1 32 32 ARG CA C 13 53.493 . . 1 . . . . 32 R CA . 18471 1 308 . 1 1 32 32 ARG CB C 13 28.177 . . 1 . . . . 32 R CB . 18471 1 309 . 1 1 32 32 ARG CG C 13 23.972 . . 1 . . . . 32 R CG . 18471 1 310 . 1 1 32 32 ARG CD C 13 40.007 . . 1 . . . . 32 R CD . 18471 1 311 . 1 1 32 32 ARG N N 15 122.465 . . 1 . . . . 32 R N . 18471 1 312 . 1 1 33 33 ASP H H 1 8.680 . . 1 . . . . 33 D NH . 18471 1 313 . 1 1 33 33 ASP HA H 1 4.403 . . 1 . . . . 33 D HA . 18471 1 314 . 1 1 33 33 ASP HB2 H 1 2.691 . . 2 . . . . 33 D HB . 18471 1 315 . 1 1 33 33 ASP HB3 H 1 2.691 . . 2 . . . . 33 D HB . 18471 1 316 . 1 1 33 33 ASP CA C 13 52.646 . . 1 . . . . 33 D CA . 18471 1 317 . 1 1 33 33 ASP CB C 13 37.096 . . 1 . . . . 33 D CB . 18471 1 318 . 1 1 33 33 ASP N N 15 116.156 . . 1 . . . . 33 D N . 18471 1 319 . 1 1 34 34 ILE H H 1 7.317 . . 1 . . . . 34 I NH . 18471 1 320 . 1 1 34 34 ILE HA H 1 4.421 . . 1 . . . . 34 I HA . 18471 1 321 . 1 1 34 34 ILE HB H 1 1.636 . . 1 . . . . 34 I HB . 18471 1 322 . 1 1 34 34 ILE HG12 H 1 1.139 . . 2 . . . . 34 I HG1# . 18471 1 323 . 1 1 34 34 ILE HG13 H 1 1.139 . . 2 . . . . 34 I HG1# . 18471 1 324 . 1 1 34 34 ILE HG21 H 1 0.699 . . 1 . . . . 34 I HG2# . 18471 1 325 . 1 1 34 34 ILE HG22 H 1 0.699 . . 1 . . . . 34 I HG2# . 18471 1 326 . 1 1 34 34 ILE HG23 H 1 0.699 . . 1 . . . . 34 I HG2# . 18471 1 327 . 1 1 34 34 ILE HD11 H 1 0.304 . . 1 . . . . 34 I HD1# . 18471 1 328 . 1 1 34 34 ILE HD12 H 1 0.304 . . 1 . . . . 34 I HD1# . 18471 1 329 . 1 1 34 34 ILE HD13 H 1 0.304 . . 1 . . . . 34 I HD1# . 18471 1 330 . 1 1 34 34 ILE CA C 13 57.159 . . 1 . . . . 34 I CA . 18471 1 331 . 1 1 34 34 ILE CB C 13 37.276 . . 1 . . . . 34 I CB . 18471 1 332 . 1 1 34 34 ILE CG1 C 13 23.123 . . 1 . . . . 34 I CG1 . 18471 1 333 . 1 1 34 34 ILE CG2 C 13 14.880 . . 1 . . . . 34 I CG2 . 18471 1 334 . 1 1 34 34 ILE CD1 C 13 10.185 . . 1 . . . . 34 I CD . 18471 1 335 . 1 1 34 34 ILE N N 15 116.883 . . 1 . . . . 34 I N . 18471 1 336 . 1 1 35 35 THR H H 1 8.340 . . 1 . . . . 35 T NH . 18471 1 337 . 1 1 35 35 THR HA H 1 4.607 . . 1 . . . . 35 T HA . 18471 1 338 . 1 1 35 35 THR HB H 1 4.034 . . 1 . . . . 35 T HB . 18471 1 339 . 1 1 35 35 THR HG21 H 1 1.232 . . 1 . . . . 35 T HG2# . 18471 1 340 . 1 1 35 35 THR HG22 H 1 1.232 . . 1 . . . . 35 T HG2# . 18471 1 341 . 1 1 35 35 THR HG23 H 1 1.232 . . 1 . . . . 35 T HG2# . 18471 1 342 . 1 1 35 35 THR CA C 13 58.280 . . 1 . . . . 35 T CA . 18471 1 343 . 1 1 35 35 THR CB C 13 67.628 . . 1 . . . . 35 T CB . 18471 1 344 . 1 1 35 35 THR CG2 C 13 18.798 . . 1 . . . . 35 T CG . 18471 1 345 . 1 1 35 35 THR N N 15 118.599 . . 1 . . . . 35 T N . 18471 1 346 . 1 1 36 36 LEU H H 1 8.812 . . 1 . . . . 36 L NH . 18471 1 347 . 1 1 36 36 LEU HA H 1 4.612 . . 1 . . . . 36 L HA . 18471 1 348 . 1 1 36 36 LEU HG H 1 1.214 . . 1 . . . . 36 L HG . 18471 1 349 . 1 1 36 36 LEU HD11 H 1 0.394 . . 2 . . . . 36 L HD1# . 18471 1 350 . 1 1 36 36 LEU HD12 H 1 0.394 . . 2 . . . . 36 L HD1# . 18471 1 351 . 1 1 36 36 LEU HD13 H 1 0.394 . . 2 . . . . 36 L HD1# . 18471 1 352 . 1 1 36 36 LEU HD21 H 1 1.041 . . 2 . . . . 36 L HD2# . 18471 1 353 . 1 1 36 36 LEU HD22 H 1 1.041 . . 2 . . . . 36 L HD2# . 18471 1 354 . 1 1 36 36 LEU HD23 H 1 1.041 . . 2 . . . . 36 L HD2# . 18471 1 355 . 1 1 36 36 LEU CA C 13 50.934 . . 1 . . . . 36 L CA . 18471 1 356 . 1 1 36 36 LEU CB C 13 38.722 . . 1 . . . . 36 L CB . 18471 1 357 . 1 1 36 36 LEU N N 15 129.041 . . 1 . . . . 36 L N . 18471 1 358 . 1 1 37 37 PRO HA H 1 4.350 . . 1 . . . . 37 P HA . 18471 1 359 . 1 1 37 37 PRO HB2 H 1 2.205 . . 2 . . . . 37 P HB2 . 18471 1 360 . 1 1 37 37 PRO HB3 H 1 1.763 . . 2 . . . . 37 P HB3 . 18471 1 361 . 1 1 37 37 PRO HG2 H 1 1.872 . . 2 . . . . 37 P HG . 18471 1 362 . 1 1 37 37 PRO HG3 H 1 1.872 . . 2 . . . . 37 P HG . 18471 1 363 . 1 1 37 37 PRO HD2 H 1 3.636 . . 2 . . . . 37 P HD . 18471 1 364 . 1 1 37 37 PRO HD3 H 1 3.636 . . 2 . . . . 37 P HD . 18471 1 365 . 1 1 37 37 PRO CA C 13 58.971 . . 1 . . . . 37 P CA . 18471 1 366 . 1 1 37 37 PRO CB C 13 28.898 . . 1 . . . . 37 P CB . 18471 1 367 . 1 1 37 37 PRO CG C 13 24.015 . . 1 . . . . 37 P CG . 18471 1 368 . 1 1 38 38 GLU H H 1 8.443 . . 1 . . . . 38 E NH . 18471 1 369 . 1 1 38 38 GLU HA H 1 3.964 . . 1 . . . . 38 E HA . 18471 1 370 . 1 1 38 38 GLU HB2 H 1 1.913 . . 2 . . . . 38 E HB . 18471 1 371 . 1 1 38 38 GLU HB3 H 1 1.913 . . 2 . . . . 38 E HB . 18471 1 372 . 1 1 38 38 GLU HG2 H 1 2.235 . . 2 . . . . 38 E HG . 18471 1 373 . 1 1 38 38 GLU HG3 H 1 2.235 . . 2 . . . . 38 E HG . 18471 1 374 . 1 1 38 38 GLU CA C 13 55.130 . . 1 . . . . 38 E CA . 18471 1 375 . 1 1 38 38 GLU CB C 13 26.296 . . 1 . . . . 38 E CB . 18471 1 376 . 1 1 38 38 GLU CG C 13 32.869 . . 1 . . . . 38 E CG . 18471 1 377 . 1 1 38 38 GLU N N 15 121.681 . . 1 . . . . 38 E N . 18471 1 378 . 1 1 39 39 GLY H H 1 8.983 . . 1 . . . . 39 G NH . 18471 1 379 . 1 1 39 39 GLY HA2 H 1 4.265 . . 2 . . . . 39 G HA2 . 18471 1 380 . 1 1 39 39 GLY HA3 H 1 3.611 . . 2 . . . . 39 G HA3 . 18471 1 381 . 1 1 39 39 GLY CA C 13 42.150 . . 1 . . . . 39 G CA . 18471 1 382 . 1 1 39 39 GLY N N 15 115.156 . . 1 . . . . 39 G N . 18471 1 383 . 1 1 40 40 SER H H 1 7.814 . . 1 . . . . 40 S NH . 18471 1 384 . 1 1 40 40 SER HA H 1 4.323 . . 1 . . . . 40 S HA . 18471 1 385 . 1 1 40 40 SER HB2 H 1 3.468 . . 2 . . . . 40 S HB2 . 18471 1 386 . 1 1 40 40 SER HB3 H 1 3.385 . . 2 . . . . 40 S HB3 . 18471 1 387 . 1 1 40 40 SER CA C 13 56.042 . . 1 . . . . 40 S CA . 18471 1 388 . 1 1 40 40 SER CB C 13 62.675 . . 1 . . . . 40 S CB . 18471 1 389 . 1 1 40 40 SER N N 15 116.062 . . 1 . . . . 40 S N . 18471 1 390 . 1 1 41 41 ASP H H 1 9.309 . . 1 . . . . 41 D NH . 18471 1 391 . 1 1 41 41 ASP HA H 1 4.630 . . 1 . . . . 41 D HA . 18471 1 392 . 1 1 41 41 ASP HB2 H 1 2.812 . . 2 . . . . 41 D HB2 . 18471 1 393 . 1 1 41 41 ASP HB3 H 1 2.555 . . 2 . . . . 41 D HB3 . 18471 1 394 . 1 1 41 41 ASP CA C 13 50.606 . . 1 . . . . 41 D CA . 18471 1 395 . 1 1 41 41 ASP CB C 13 38.635 . . 1 . . . . 41 D CB . 18471 1 396 . 1 1 41 41 ASP N N 15 118.748 . . 1 . . . . 41 D N . 18471 1 397 . 1 1 42 42 VAL H H 1 8.115 . . 1 . . . . 42 V NH . 18471 1 398 . 1 1 42 42 VAL HA H 1 4.570 . . 1 . . . . 42 V HA . 18471 1 399 . 1 1 42 42 VAL HB H 1 1.997 . . 1 . . . . 42 V HB . 18471 1 400 . 1 1 42 42 VAL HG11 H 1 0.852 . . 2 . . . . 42 V HG1# . 18471 1 401 . 1 1 42 42 VAL HG12 H 1 0.852 . . 2 . . . . 42 V HG1# . 18471 1 402 . 1 1 42 42 VAL HG13 H 1 0.852 . . 2 . . . . 42 V HG1# . 18471 1 403 . 1 1 42 42 VAL HG21 H 1 0.700 . . 2 . . . . 42 V HG2# . 18471 1 404 . 1 1 42 42 VAL HG22 H 1 0.700 . . 2 . . . . 42 V HG2# . 18471 1 405 . 1 1 42 42 VAL HG23 H 1 0.700 . . 2 . . . . 42 V HG2# . 18471 1 406 . 1 1 42 42 VAL CA C 13 56.800 . . 1 . . . . 42 V CA . 18471 1 407 . 1 1 42 42 VAL CB C 13 33.275 . . 1 . . . . 42 V CB . 18471 1 408 . 1 1 42 42 VAL CG1 C 13 19.278 . . 2 . . . . 42 V CG1 . 18471 1 409 . 1 1 42 42 VAL CG2 C 13 16.963 . . 2 . . . . 42 V CG2 . 18471 1 410 . 1 1 42 42 VAL N N 15 117.708 . . 1 . . . . 42 V N . 18471 1 411 . 1 1 43 43 TRP H H 1 8.865 . . 1 . . . . 43 W NH . 18471 1 412 . 1 1 43 43 TRP HA H 1 5.048 . . 1 . . . . 43 W HA . 18471 1 413 . 1 1 43 43 TRP HB2 H 1 2.982 . . 2 . . . . 43 W HB2 . 18471 1 414 . 1 1 43 43 TRP HB3 H 1 2.863 . . 2 . . . . 43 W HB3 . 18471 1 415 . 1 1 43 43 TRP CA C 13 52.197 . . 1 . . . . 43 W CA . 18471 1 416 . 1 1 43 43 TRP CB C 13 29.559 . . 1 . . . . 43 W CB . 18471 1 417 . 1 1 43 43 TRP N N 15 121.795 . . 1 . . . . 43 W N . 18471 1 418 . 1 1 44 44 VAL H H 1 9.394 . . 1 . . . . 44 V NH . 18471 1 419 . 1 1 44 44 VAL HA H 1 4.282 . . 1 . . . . 44 V HA . 18471 1 420 . 1 1 44 44 VAL HB H 1 1.751 . . 1 . . . . 44 V HB . 18471 1 421 . 1 1 44 44 VAL HG11 H 1 0.582 . . 2 . . . . 44 V HG1 . 18471 1 422 . 1 1 44 44 VAL HG12 H 1 0.582 . . 2 . . . . 44 V HG1 . 18471 1 423 . 1 1 44 44 VAL HG13 H 1 0.582 . . 2 . . . . 44 V HG1 . 18471 1 424 . 1 1 44 44 VAL CA C 13 57.651 . . 1 . . . . 44 V CA . 18471 1 425 . 1 1 44 44 VAL CB C 13 31.144 . . 1 . . . . 44 V CB . 18471 1 426 . 1 1 44 44 VAL CG1 C 13 19.178 . . 2 . . . . 44 V CG1 . 18471 1 427 . 1 1 44 44 VAL N N 15 122.518 . . 1 . . . . 44 V N . 18471 1 428 . 1 1 45 45 CYS H H 1 8.799 . . 1 . . . . 45 C NH . 18471 1 429 . 1 1 45 45 CYS HA H 1 4.785 . . 1 . . . . 45 C HA . 18471 1 430 . 1 1 45 45 CYS HB2 H 1 1.987 . . 2 . . . . 45 C HB2 . 18471 1 431 . 1 1 45 45 CYS HB3 H 1 1.492 . . 2 . . . . 45 C HB3 . 18471 1 432 . 1 1 45 45 CYS CA C 13 53.532 . . 1 . . . . 45 C CA . 18471 1 433 . 1 1 45 45 CYS CB C 13 24.661 . . 1 . . . . 45 C CB . 18471 1 434 . 1 1 45 45 CYS N N 15 127.046 . . 1 . . . . 45 C N . 18471 1 435 . 1 1 46 46 CYS H H 1 8.782 . . 1 . . . . 46 C NH . 18471 1 436 . 1 1 46 46 CYS HA H 1 4.525 . . 1 . . . . 46 C HA . 18471 1 437 . 1 1 46 46 CYS HB2 H 1 2.685 . . 2 . . . . 46 C HB . 18471 1 438 . 1 1 46 46 CYS HB3 H 1 2.685 . . 2 . . . . 46 C HB . 18471 1 439 . 1 1 46 46 CYS CA C 13 58.113 . . 1 . . . . 46 C CA . 18471 1 440 . 1 1 46 46 CYS CB C 13 25.078 . . 1 . . . . 46 C CB . 18471 1 441 . 1 1 46 46 CYS N N 15 125.264 . . 1 . . . . 46 C N . 18471 1 442 . 1 1 47 47 LEU H H 1 7.925 . . 1 . . . . 47 L NH . 18471 1 443 . 1 1 47 47 LEU HA H 1 4.149 . . 1 . . . . 47 L HA . 18471 1 444 . 1 1 47 47 LEU HB2 H 1 1.712 . . 2 . . . . 47 L HB . 18471 1 445 . 1 1 47 47 LEU HB3 H 1 1.712 . . 2 . . . . 47 L HB . 18471 1 446 . 1 1 47 47 LEU HG H 1 1.221 . . 1 . . . . 47 L HG . 18471 1 447 . 1 1 47 47 LEU HD11 H 1 0.754 . . 2 . . . . 47 L HD1 . 18471 1 448 . 1 1 47 47 LEU HD12 H 1 0.754 . . 2 . . . . 47 L HD1 . 18471 1 449 . 1 1 47 47 LEU HD13 H 1 0.754 . . 2 . . . . 47 L HD1 . 18471 1 450 . 1 1 47 47 LEU CB C 13 38.333 . . 1 . . . . 47 L CB . 18471 1 451 . 1 1 47 47 LEU N N 15 123.398 . . 1 . . . . 47 L N . 18471 1 452 . 1 1 48 48 PRO HA H 1 4.832 . . 1 . . . . 48 P HA . 18471 1 453 . 1 1 48 48 PRO HB2 H 1 2.467 . . 2 . . . . 48 P HB2 . 18471 1 454 . 1 1 48 48 PRO HB3 H 1 2.243 . . 2 . . . . 48 P HB3 . 18471 1 455 . 1 1 48 48 PRO HG2 H 1 1.947 . . 2 . . . . 48 P HG . 18471 1 456 . 1 1 48 48 PRO HG3 H 1 1.947 . . 2 . . . . 48 P HG . 18471 1 457 . 1 1 48 48 PRO HD2 H 1 3.798 . . 2 . . . . 48 P HD . 18471 1 458 . 1 1 48 48 PRO HD3 H 1 3.798 . . 2 . . . . 48 P HD . 18471 1 459 . 1 1 48 48 PRO CA C 13 58.816 . . 1 . . . . 48 P CA . 18471 1 460 . 1 1 48 48 PRO CB C 13 33.671 . . 1 . . . . 48 P CB . 18471 1 461 . 1 1 48 48 PRO CG C 13 21.825 . . 1 . . . . 48 P CG . 18471 1 462 . 1 1 48 48 PRO CD C 13 49.457 . . 1 . . . . 48 P CD . 18471 1 463 . 1 1 49 49 ARG H H 1 10.926 . . 1 . . . . 49 R NH . 18471 1 464 . 1 1 49 49 ARG HA H 1 3.972 . . 1 . . . . 49 R HA . 18471 1 465 . 1 1 49 49 ARG HB2 H 1 1.915 . . 2 . . . . 49 R HB . 18471 1 466 . 1 1 49 49 ARG HB3 H 1 1.915 . . 2 . . . . 49 R HB . 18471 1 467 . 1 1 49 49 ARG HG2 H 1 1.747 . . 2 . . . . 49 R HG . 18471 1 468 . 1 1 49 49 ARG HG3 H 1 1.747 . . 2 . . . . 49 R HG . 18471 1 469 . 1 1 49 49 ARG HD2 H 1 3.175 . . 2 . . . . 49 R HD . 18471 1 470 . 1 1 49 49 ARG HD3 H 1 3.175 . . 2 . . . . 49 R HD . 18471 1 471 . 1 1 49 49 ARG CA C 13 56.516 . . 1 . . . . 49 R CA . 18471 1 472 . 1 1 49 49 ARG CB C 13 26.831 . . 1 . . . . 49 R CB . 18471 1 473 . 1 1 49 49 ARG CG C 13 24.689 . . 1 . . . . 49 R CG . 18471 1 474 . 1 1 49 49 ARG CD C 13 40.274 . . 1 . . . . 49 R CD . 18471 1 475 . 1 1 49 49 ARG N N 15 124.287 . . 1 . . . . 49 R N . 18471 1 476 . 1 1 50 50 ASP H H 1 8.550 . . 1 . . . . 50 D NH . 18471 1 477 . 1 1 50 50 ASP HA H 1 4.498 . . 1 . . . . 50 D HA . 18471 1 478 . 1 1 50 50 ASP HB2 H 1 2.687 . . 2 . . . . 50 D HB2 . 18471 1 479 . 1 1 50 50 ASP HB3 H 1 2.704 . . 2 . . . . 50 D HB3 . 18471 1 480 . 1 1 50 50 ASP CA C 13 51.972 . . 1 . . . . 50 D CA . 18471 1 481 . 1 1 50 50 ASP CB C 13 37.254 . . 1 . . . . 50 D CB . 18471 1 482 . 1 1 50 50 ASP N N 15 116.628 . . 1 . . . . 50 D N . 18471 1 483 . 1 1 51 51 SER H H 1 7.983 . . 1 . . . . 51 S NH . 18471 1 484 . 1 1 51 51 SER HA H 1 4.519 . . 1 . . . . 51 S HA . 18471 1 485 . 1 1 51 51 SER HB2 H 1 3.838 . . 2 . . . . 51 S HB2 . 18471 1 486 . 1 1 51 51 SER HB3 H 1 3.659 . . 2 . . . . 51 S HB3 . 18471 1 487 . 1 1 51 51 SER CA C 13 54.046 . . 1 . . . . 51 S CA . 18471 1 488 . 1 1 51 51 SER CB C 13 60.479 . . 1 . . . . 51 S CB . 18471 1 489 . 1 1 51 51 SER N N 15 115.989 . . 1 . . . . 51 S N . 18471 1 490 . 1 1 52 52 LEU H H 1 7.769 . . 1 . . . . 52 L NH . 18471 1 491 . 1 1 52 52 LEU HA H 1 4.433 . . 1 . . . . 52 L HA . 18471 1 492 . 1 1 52 52 LEU HB2 H 1 1.736 . . 2 . . . . 52 L HB2 . 18471 1 493 . 1 1 52 52 LEU HB3 H 1 1.329 . . 2 . . . . 52 L HB3 . 18471 1 494 . 1 1 52 52 LEU HD11 H 1 0.878 . . 2 . . . . 52 L HD1 . 18471 1 495 . 1 1 52 52 LEU HD12 H 1 0.878 . . 2 . . . . 52 L HD1 . 18471 1 496 . 1 1 52 52 LEU HD13 H 1 0.878 . . 2 . . . . 52 L HD1 . 18471 1 497 . 1 1 52 52 LEU CA C 13 52.770 . . 1 . . . . 52 L CA . 18471 1 498 . 1 1 52 52 LEU CB C 13 38.188 . . 1 . . . . 52 L CB . 18471 1 499 . 1 1 52 52 LEU CD1 C 13 22.725 . . 2 . . . . 52 L CD . 18471 1 500 . 1 1 52 52 LEU CD2 C 13 22.725 . . 2 . . . . 52 L CD . 18471 1 501 . 1 1 52 52 LEU N N 15 121.679 . . 1 . . . . 52 L N . 18471 1 502 . 1 1 53 53 THR H H 1 7.717 . . 1 . . . . 53 T NH . 18471 1 503 . 1 1 53 53 THR HA H 1 4.320 . . 1 . . . . 53 T HA . 18471 1 504 . 1 1 53 53 THR HB H 1 3.846 . . 1 . . . . 53 T HB . 18471 1 505 . 1 1 53 53 THR HG21 H 1 0.985 . . 1 . . . . 53 T HG2# . 18471 1 506 . 1 1 53 53 THR HG22 H 1 0.985 . . 1 . . . . 53 T HG2# . 18471 1 507 . 1 1 53 53 THR HG23 H 1 0.985 . . 1 . . . . 53 T HG2# . 18471 1 508 . 1 1 53 53 THR CA C 13 58.105 . . 1 . . . . 53 T CA . 18471 1 509 . 1 1 53 53 THR CB C 13 68.053 . . 1 . . . . 53 T CB . 18471 1 510 . 1 1 53 53 THR CG2 C 13 18.560 . . 1 . . . . 53 T CG . 18471 1 511 . 1 1 53 53 THR N N 15 114.725 . . 1 . . . . 53 T N . 18471 1 512 . 1 1 54 54 LEU H H 1 8.476 . . 1 . . . . 54 L NH . 18471 1 513 . 1 1 54 54 LEU HA H 1 5.073 . . 1 . . . . 54 L HA . 18471 1 514 . 1 1 54 54 LEU HB2 H 1 1.355 . . 2 . . . . 54 L HB . 18471 1 515 . 1 1 54 54 LEU HB3 H 1 1.355 . . 2 . . . . 54 L HB . 18471 1 516 . 1 1 54 54 LEU HD11 H 1 0.537 . . 2 . . . . 54 L HD1# . 18471 1 517 . 1 1 54 54 LEU HD12 H 1 0.537 . . 2 . . . . 54 L HD1# . 18471 1 518 . 1 1 54 54 LEU HD13 H 1 0.537 . . 2 . . . . 54 L HD1# . 18471 1 519 . 1 1 54 54 LEU HD21 H 1 0.372 . . 2 . . . . 54 L HD2# . 18471 1 520 . 1 1 54 54 LEU HD22 H 1 0.372 . . 2 . . . . 54 L HD2# . 18471 1 521 . 1 1 54 54 LEU HD23 H 1 0.372 . . 2 . . . . 54 L HD2# . 18471 1 522 . 1 1 54 54 LEU CA C 13 51.112 . . 1 . . . . 54 L CA . 18471 1 523 . 1 1 54 54 LEU CB C 13 41.301 . . 1 . . . . 54 L CB . 18471 1 524 . 1 1 54 54 LEU CD1 C 13 24.243 . . 2 . . . . 54 L CD1 . 18471 1 525 . 1 1 54 54 LEU CD2 C 13 21.798 . . 2 . . . . 54 L CD2 . 18471 1 526 . 1 1 54 54 LEU N N 15 126.462 . . 1 . . . . 54 L N . 18471 1 527 . 1 1 55 55 SER H H 1 9.300 . . 1 . . . . 55 S NH . 18471 1 528 . 1 1 55 55 SER HA H 1 4.783 . . 1 . . . . 55 S HA . 18471 1 529 . 1 1 55 55 SER HB2 H 1 3.593 . . 2 . . . . 55 S HB2 . 18471 1 530 . 1 1 55 55 SER HB3 H 1 3.372 . . 2 . . . . 55 S HB3 . 18471 1 531 . 1 1 55 55 SER CA C 13 54.723 . . 1 . . . . 55 S CA . 18471 1 532 . 1 1 55 55 SER CB C 13 63.311 . . 1 . . . . 55 S CB . 18471 1 533 . 1 1 55 55 SER N N 15 120.280 . . 1 . . . . 55 S N . 18471 1 534 . 1 1 56 56 ALA H H 1 8.646 . . 1 . . . . 56 A NH . 18471 1 535 . 1 1 56 56 ALA HA H 1 4.783 . . 1 . . . . 56 A HA . 18471 1 536 . 1 1 56 56 ALA HB1 H 1 0.769 . . 1 . . . . 56 A HB# . 18471 1 537 . 1 1 56 56 ALA HB2 H 1 0.769 . . 1 . . . . 56 A HB# . 18471 1 538 . 1 1 56 56 ALA HB3 H 1 0.769 . . 1 . . . . 56 A HB# . 18471 1 539 . 1 1 56 56 ALA CA C 13 47.989 . . 1 . . . . 56 A CA . 18471 1 540 . 1 1 56 56 ALA CB C 13 17.735 . . 1 . . . . 56 A CB . 18471 1 541 . 1 1 56 56 ALA N N 15 127.762 . . 1 . . . . 56 A N . 18471 1 542 . 1 1 57 57 ALA H H 1 8.772 . . 1 . . . . 57 A NH . 18471 1 543 . 1 1 57 57 ALA HA H 1 4.555 . . 1 . . . . 57 A HA . 18471 1 544 . 1 1 57 57 ALA HB1 H 1 0.897 . . 1 . . . . 57 A HB# . 18471 1 545 . 1 1 57 57 ALA HB2 H 1 0.897 . . 1 . . . . 57 A HB# . 18471 1 546 . 1 1 57 57 ALA HB3 H 1 0.897 . . 1 . . . . 57 A HB# . 18471 1 547 . 1 1 57 57 ALA CA C 13 47.805 . . 1 . . . . 57 A CA . 18471 1 548 . 1 1 57 57 ALA CB C 13 20.333 . . 1 . . . . 57 A CB . 18471 1 549 . 1 1 57 57 ALA N N 15 120.839 . . 1 . . . . 57 A N . 18471 1 550 . 1 1 58 58 ASN H H 1 7.928 . . 1 . . . . 58 N NH . 18471 1 551 . 1 1 58 58 ASN HA H 1 5.022 . . 1 . . . . 58 N HA . 18471 1 552 . 1 1 58 58 ASN HB2 H 1 3.058 . . 2 . . . . 58 N HB2 . 18471 1 553 . 1 1 58 58 ASN HB3 H 1 2.971 . . 2 . . . . 58 N HB3 . 18471 1 554 . 1 1 58 58 ASN CA C 13 48.037 . . 1 . . . . 58 N CA . 18471 1 555 . 1 1 58 58 ASN CB C 13 36.022 . . 1 . . . . 58 N CB . 18471 1 556 . 1 1 58 58 ASN N N 15 118.254 . . 1 . . . . 58 N N . 18471 1 557 . 1 1 59 59 SER H H 1 10.942 . . 1 . . . . 59 S NH . 18471 1 558 . 1 1 59 59 SER HA H 1 3.563 . . 1 . . . . 59 S HA . 18471 1 559 . 1 1 59 59 SER HB2 H 1 3.743 . . 2 . . . . 59 S HB2 . 18471 1 560 . 1 1 59 59 SER HB3 H 1 3.635 . . 2 . . . . 59 S HB3 . 18471 1 561 . 1 1 59 59 SER CA C 13 58.523 . . 1 . . . . 59 S CA . 18471 1 562 . 1 1 59 59 SER CB C 13 59.134 . . 1 . . . . 59 S CB . 18471 1 563 . 1 1 59 59 SER N N 15 122.073 . . 1 . . . . 59 S N . 18471 1 564 . 1 1 60 60 GLU H H 1 7.646 . . 1 . . . . 60 E NH . 18471 1 565 . 1 1 60 60 GLU HA H 1 4.278 . . 1 . . . . 60 E HA . 18471 1 566 . 1 1 60 60 GLU HB2 H 1 2.152 . . 2 . . . . 60 E HB2 . 18471 1 567 . 1 1 60 60 GLU HB3 H 1 1.893 . . 2 . . . . 60 E HB3 . 18471 1 568 . 1 1 60 60 GLU CA C 13 53.375 . . 1 . . . . 60 E CA . 18471 1 569 . 1 1 60 60 GLU CB C 13 26.669 . . 1 . . . . 60 E CB . 18471 1 570 . 1 1 60 60 GLU CG C 13 33.318 . . 1 . . . . 60 E CG . 18471 1 571 . 1 1 60 60 GLU N N 15 118.823 . . 1 . . . . 60 E N . 18471 1 572 . 1 1 61 61 ASP H H 1 8.105 . . 1 . . . . 61 D NH . 18471 1 573 . 1 1 61 61 ASP HA H 1 4.845 . . 1 . . . . 61 D HA . 18471 1 574 . 1 1 61 61 ASP HB2 H 1 3.429 . . 2 . . . . 61 D HB2 . 18471 1 575 . 1 1 61 61 ASP HB3 H 1 2.396 . . 2 . . . . 61 D HB3 . 18471 1 576 . 1 1 61 61 ASP CA C 13 49.597 . . 1 . . . . 61 D CA . 18471 1 577 . 1 1 61 61 ASP CB C 13 38.033 . . 1 . . . . 61 D CB . 18471 1 578 . 1 1 61 61 ASP N N 15 120.603 . . 1 . . . . 61 D N . 18471 1 579 . 1 1 62 62 GLU H H 1 8.959 . . 1 . . . . 62 E NH . 18471 1 580 . 1 1 62 62 GLU HA H 1 4.740 . . 1 . . . . 62 E HA . 18471 1 581 . 1 1 62 62 GLU HB2 H 1 2.432 . . 2 . . . . 62 E HB2 . 18471 1 582 . 1 1 62 62 GLU HB3 H 1 2.204 . . 2 . . . . 62 E HB3 . 18471 1 583 . 1 1 62 62 GLU HG2 H 1 2.467 . . 2 . . . . 62 E HG . 18471 1 584 . 1 1 62 62 GLU HG3 H 1 2.467 . . 2 . . . . 62 E HG . 18471 1 585 . 1 1 62 62 GLU CA C 13 54.978 . . 1 . . . . 62 E CA . 18471 1 586 . 1 1 62 62 GLU CB C 13 26.123 . . 1 . . . . 62 E CB . 18471 1 587 . 1 1 62 62 GLU CG C 13 33.459 . . 1 . . . . 62 E CG . 18471 1 588 . 1 1 62 62 GLU N N 15 127.707 . . 1 . . . . 62 E N . 18471 1 589 . 1 1 63 63 GLY H H 1 8.906 . . 1 . . . . 63 G NH . 18471 1 590 . 1 1 63 63 GLY HA2 H 1 4.447 . . 2 . . . . 63 G HA2 . 18471 1 591 . 1 1 63 63 GLY HA3 H 1 3.725 . . 2 . . . . 63 G HA3 . 18471 1 592 . 1 1 63 63 GLY CA C 13 42.384 . . 1 . . . . 63 G CA . 18471 1 593 . 1 1 63 63 GLY N N 15 106.493 . . 1 . . . . 63 G N . 18471 1 594 . 1 1 64 64 GLN H H 1 8.195 . . 1 . . . . 64 Q NH . 18471 1 595 . 1 1 64 64 GLN HA H 1 4.433 . . 1 . . . . 64 Q HA . 18471 1 596 . 1 1 64 64 GLN HB2 H 1 1.861 . . 2 . . . . 64 Q HB . 18471 1 597 . 1 1 64 64 GLN HB3 H 1 1.861 . . 2 . . . . 64 Q HB . 18471 1 598 . 1 1 64 64 GLN HG2 H 1 2.424 . . 2 . . . . 64 Q HG2 . 18471 1 599 . 1 1 64 64 GLN HG3 H 1 2.204 . . 2 . . . . 64 Q HG3 . 18471 1 600 . 1 1 64 64 GLN CA C 13 53.702 . . 1 . . . . 64 Q CA . 18471 1 601 . 1 1 64 64 GLN CB C 13 29.364 . . 1 . . . . 64 Q CB . 18471 1 602 . 1 1 64 64 GLN CG C 13 31.746 . . 1 . . . . 64 Q CG . 18471 1 603 . 1 1 64 64 GLN N N 15 119.689 . . 1 . . . . 64 Q N . 18471 1 604 . 1 1 65 65 ILE H H 1 8.321 . . 1 . . . . 65 I NH . 18471 1 605 . 1 1 65 65 ILE HA H 1 5.780 . . 1 . . . . 65 I HA . 18471 1 606 . 1 1 65 65 ILE HB H 1 1.360 . . 1 . . . . 65 I HB . 18471 1 607 . 1 1 65 65 ILE HG21 H 1 0.548 . . 1 . . . . 65 I HG2# . 18471 1 608 . 1 1 65 65 ILE HG22 H 1 0.548 . . 1 . . . . 65 I HG2# . 18471 1 609 . 1 1 65 65 ILE HG23 H 1 0.548 . . 1 . . . . 65 I HG2# . 18471 1 610 . 1 1 65 65 ILE HD11 H 1 0.174 . . 1 . . . . 65 I HD1# . 18471 1 611 . 1 1 65 65 ILE HD12 H 1 0.174 . . 1 . . . . 65 I HD1# . 18471 1 612 . 1 1 65 65 ILE HD13 H 1 0.174 . . 1 . . . . 65 I HD1# . 18471 1 613 . 1 1 65 65 ILE CA C 13 55.813 . . 1 . . . . 65 I CA . 18471 1 614 . 1 1 65 65 ILE CB C 13 38.649 . . 1 . . . . 65 I CB . 18471 1 615 . 1 1 65 65 ILE CD1 C 13 11.446 . . 1 . . . . 65 I CD . 18471 1 616 . 1 1 65 65 ILE N N 15 118.087 . . 1 . . . . 65 I N . 18471 1 617 . 1 1 66 66 ARG H H 1 8.692 . . 1 . . . . 66 R NH . 18471 1 618 . 1 1 66 66 ARG HA H 1 4.900 . . 1 . . . . 66 R HA . 18471 1 619 . 1 1 66 66 ARG HB2 H 1 2.048 . . 2 . . . . 66 R HB2 . 18471 1 620 . 1 1 66 66 ARG HB3 H 1 1.279 . . 2 . . . . 66 R HB3 . 18471 1 621 . 1 1 66 66 ARG HG2 H 1 1.691 . . 2 . . . . 66 R HG2 . 18471 1 622 . 1 1 66 66 ARG HG3 H 1 1.437 . . 2 . . . . 66 R HG3 . 18471 1 623 . 1 1 66 66 ARG HD2 H 1 2.452 . . 2 . . . . 66 R HD . 18471 1 624 . 1 1 66 66 ARG HD3 H 1 2.452 . . 2 . . . . 66 R HD . 18471 1 625 . 1 1 66 66 ARG CA C 13 50.708 . . 1 . . . . 66 R CA . 18471 1 626 . 1 1 66 66 ARG CB C 13 33.067 . . 1 . . . . 66 R CB . 18471 1 627 . 1 1 66 66 ARG CG C 13 23.924 . . 1 . . . . 66 R CG . 18471 1 628 . 1 1 66 66 ARG CD C 13 40.146 . . 1 . . . . 66 R CD . 18471 1 629 . 1 1 66 66 ARG N N 15 123.602 . . 1 . . . . 66 R N . 18471 1 630 . 1 1 67 67 TYR H H 1 8.989 . . 1 . . . . 67 Y NH . 18471 1 631 . 1 1 67 67 TYR HA H 1 4.451 . . 1 . . . . 67 Y HA . 18471 1 632 . 1 1 67 67 TYR HB2 H 1 3.024 . . 2 . . . . 67 Y HB2 . 18471 1 633 . 1 1 67 67 TYR HB3 H 1 2.835 . . 2 . . . . 67 Y HB3 . 18471 1 634 . 1 1 67 67 TYR CA C 13 57.855 . . 1 . . . . 67 Y CA . 18471 1 635 . 1 1 67 67 TYR CB C 13 35.768 . . 1 . . . . 67 Y CB . 18471 1 636 . 1 1 67 67 TYR N N 15 119.901 . . 1 . . . . 67 Y N . 18471 1 637 . 1 1 68 68 PHE H H 1 8.064 . . 1 . . . . 68 F NH . 18471 1 638 . 1 1 68 68 PHE HA H 1 4.543 . . 1 . . . . 68 F HA . 18471 1 639 . 1 1 68 68 PHE HB2 H 1 2.747 . . 2 . . . . 68 F HB2 . 18471 1 640 . 1 1 68 68 PHE HB3 H 1 1.965 . . 2 . . . . 68 F HB3 . 18471 1 641 . 1 1 68 68 PHE CA C 13 54.817 . . 1 . . . . 68 F CA . 18471 1 642 . 1 1 68 68 PHE CB C 13 36.276 . . 1 . . . . 68 F CB . 18471 1 643 . 1 1 68 68 PHE N N 15 123.421 . . 1 . . . . 68 F N . 18471 1 644 . 1 1 69 69 LEU H H 1 8.688 . . 1 . . . . 69 L NH . 18471 1 645 . 1 1 69 69 LEU HA H 1 5.815 . . 1 . . . . 69 L HA . 18471 1 646 . 1 1 69 69 LEU HB2 H 1 1.623 . . 2 . . . . 69 L HB . 18471 1 647 . 1 1 69 69 LEU HB3 H 1 1.623 . . 2 . . . . 69 L HB . 18471 1 648 . 1 1 69 69 LEU HG H 1 1.241 . . 1 . . . . 69 L HG . 18471 1 649 . 1 1 69 69 LEU HD11 H 1 0.932 . . 2 . . . . 69 L HD1 . 18471 1 650 . 1 1 69 69 LEU HD12 H 1 0.932 . . 2 . . . . 69 L HD1 . 18471 1 651 . 1 1 69 69 LEU HD13 H 1 0.932 . . 2 . . . . 69 L HD1 . 18471 1 652 . 1 1 69 69 LEU CA C 13 48.103 . . 1 . . . . 69 L CA . 18471 1 653 . 1 1 69 69 LEU CB C 13 40.247 . . 1 . . . . 69 L CB . 18471 1 654 . 1 1 69 69 LEU N N 15 129.629 . . 1 . . . . 69 L N . 18471 1 655 . 1 1 70 70 PRO HA H 1 3.651 . . 1 . . . . 70 P HA . 18471 1 656 . 1 1 70 70 PRO HB2 H 1 1.784 . . 2 . . . . 70 P HB . 18471 1 657 . 1 1 70 70 PRO HB3 H 1 1.784 . . 2 . . . . 70 P HB . 18471 1 658 . 1 1 70 70 PRO HG2 H 1 1.534 . . 2 . . . . 70 P HG2 . 18471 1 659 . 1 1 70 70 PRO HG3 H 1 1.219 . . 2 . . . . 70 P HG3 . 18471 1 660 . 1 1 70 70 PRO HD2 H 1 2.599 . . 2 . . . . 70 P HD2 . 18471 1 661 . 1 1 70 70 PRO HD3 H 1 2.221 . . 2 . . . . 70 P HD3 . 18471 1 662 . 1 1 70 70 PRO CA C 13 62.065 . . 1 . . . . 70 P CA . 18471 1 663 . 1 1 70 70 PRO CB C 13 28.564 . . 1 . . . . 70 P CB . 18471 1 664 . 1 1 70 70 PRO CG C 13 24.627 . . 1 . . . . 70 P CG . 18471 1 665 . 1 1 70 70 PRO CD C 13 46.291 . . 1 . . . . 70 P CD . 18471 1 666 . 1 1 71 71 ASP H H 1 8.226 . . 1 . . . . 71 D NH . 18471 1 667 . 1 1 71 71 ASP HA H 1 4.369 . . 1 . . . . 71 D HA . 18471 1 668 . 1 1 71 71 ASP HB2 H 1 2.620 . . 2 . . . . 71 D HB . 18471 1 669 . 1 1 71 71 ASP HB3 H 1 2.620 . . 2 . . . . 71 D HB . 18471 1 670 . 1 1 71 71 ASP CA C 13 51.884 . . 1 . . . . 71 D CA . 18471 1 671 . 1 1 71 71 ASP CB C 13 36.941 . . 1 . . . . 71 D CB . 18471 1 672 . 1 1 71 71 ASP N N 15 114.266 . . 1 . . . . 71 D N . 18471 1 673 . 1 1 72 72 ARG H H 1 7.731 . . 1 . . . . 72 R NH . 18471 1 674 . 1 1 72 72 ARG HA H 1 4.574 . . 1 . . . . 72 R HA . 18471 1 675 . 1 1 72 72 ARG HB2 H 1 1.879 . . 2 . . . . 72 R HB2 . 18471 1 676 . 1 1 72 72 ARG HB3 H 1 1.778 . . 2 . . . . 72 R HB3 . 18471 1 677 . 1 1 72 72 ARG HG2 H 1 1.711 . . 2 . . . . 72 R HG . 18471 1 678 . 1 1 72 72 ARG HG3 H 1 1.711 . . 2 . . . . 72 R HG . 18471 1 679 . 1 1 72 72 ARG HD2 H 1 3.102 . . 2 . . . . 72 R HD . 18471 1 680 . 1 1 72 72 ARG HD3 H 1 3.102 . . 2 . . . . 72 R HD . 18471 1 681 . 1 1 72 72 ARG CA C 13 52.300 . . 1 . . . . 72 R CA . 18471 1 682 . 1 1 72 72 ARG CB C 13 28.910 . . 1 . . . . 72 R CB . 18471 1 683 . 1 1 72 72 ARG CG C 13 22.890 . . 1 . . . . 72 R CG . 18471 1 684 . 1 1 72 72 ARG CD C 13 40.257 . . 1 . . . . 72 R CD . 18471 1 685 . 1 1 72 72 ARG N N 15 117.929 . . 1 . . . . 72 R N . 18471 1 686 . 1 1 73 73 ASP H H 1 7.636 . . 1 . . . . 73 D NH . 18471 1 687 . 1 1 73 73 ASP HA H 1 4.581 . . 1 . . . . 73 D HA . 18471 1 688 . 1 1 73 73 ASP HB2 H 1 2.778 . . 2 . . . . 73 D HB2 . 18471 1 689 . 1 1 73 73 ASP HB3 H 1 2.442 . . 2 . . . . 73 D HB3 . 18471 1 690 . 1 1 73 73 ASP CA C 13 51.762 . . 1 . . . . 73 D CA . 18471 1 691 . 1 1 73 73 ASP CB C 13 38.017 . . 1 . . . . 73 D CB . 18471 1 692 . 1 1 73 73 ASP N N 15 119.547 . . 1 . . . . 73 D N . 18471 1 693 . 1 1 74 74 GLU H H 1 8.283 . . 1 . . . . 74 E NH . 18471 1 694 . 1 1 74 74 GLU HA H 1 3.871 . . 1 . . . . 74 E HA . 18471 1 695 . 1 1 74 74 GLU HB2 H 1 1.974 . . 2 . . . . 74 E HB . 18471 1 696 . 1 1 74 74 GLU HB3 H 1 1.974 . . 2 . . . . 74 E HB . 18471 1 697 . 1 1 74 74 GLU HG2 H 1 2.194 . . 2 . . . . 74 E HG . 18471 1 698 . 1 1 74 74 GLU HG3 H 1 2.194 . . 2 . . . . 74 E HG . 18471 1 699 . 1 1 74 74 GLU CA C 13 56.961 . . 1 . . . . 74 E CA . 18471 1 700 . 1 1 74 74 GLU CB C 13 26.392 . . 1 . . . . 74 E CB . 18471 1 701 . 1 1 74 74 GLU CG C 13 32.977 . . 1 . . . . 74 E CG . 18471 1 702 . 1 1 74 74 GLU N N 15 120.515 . . 1 . . . . 74 E N . 18471 1 703 . 1 1 75 75 GLY H H 1 8.632 . . 1 . . . . 75 G NH . 18471 1 704 . 1 1 75 75 GLY HA2 H 1 3.777 . . 2 . . . . 75 G HA . 18471 1 705 . 1 1 75 75 GLY HA3 H 1 3.777 . . 2 . . . . 75 G HA . 18471 1 706 . 1 1 75 75 GLY CA C 13 44.147 . . 1 . . . . 75 G CA . 18471 1 707 . 1 1 75 75 GLY N N 15 107.078 . . 1 . . . . 75 G N . 18471 1 708 . 1 1 76 76 MET H H 1 7.387 . . 1 . . . . 76 M NH . 18471 1 709 . 1 1 76 76 MET HA H 1 3.778 . . 1 . . . . 76 M HA . 18471 1 710 . 1 1 76 76 MET HB2 H 1 1.757 . . 2 . . . . 76 M HB2 . 18471 1 711 . 1 1 76 76 MET HB3 H 1 1.366 . . 2 . . . . 76 M HB3 . 18471 1 712 . 1 1 76 76 MET HG2 H 1 2.152 . . 2 . . . . 76 M HG . 18471 1 713 . 1 1 76 76 MET HG3 H 1 2.152 . . 2 . . . . 76 M HG . 18471 1 714 . 1 1 76 76 MET CA C 13 56.048 . . 1 . . . . 76 M CA . 18471 1 715 . 1 1 76 76 MET CB C 13 29.186 . . 1 . . . . 76 M CB . 18471 1 716 . 1 1 76 76 MET N N 15 121.496 . . 1 . . . . 76 M N . 18471 1 717 . 1 1 77 77 MET H H 1 8.170 . . 1 . . . . 77 M NH . 18471 1 718 . 1 1 77 77 MET HA H 1 4.354 . . 1 . . . . 77 M HA . 18471 1 719 . 1 1 77 77 MET HB2 H 1 2.427 . . 2 . . . . 77 M HB . 18471 1 720 . 1 1 77 77 MET HB3 H 1 2.427 . . 2 . . . . 77 M HB . 18471 1 721 . 1 1 77 77 MET HG2 H 1 2.923 . . 2 . . . . 77 M HG2 . 18471 1 722 . 1 1 77 77 MET HG3 H 1 2.653 . . 2 . . . . 77 M HG3 . 18471 1 723 . 1 1 77 77 MET CA C 13 56.217 . . 1 . . . . 77 M CA . 18471 1 724 . 1 1 77 77 MET CB C 13 29.811 . . 1 . . . . 77 M CB . 18471 1 725 . 1 1 77 77 MET CG C 13 30.076 . . 1 . . . . 77 M CG . 18471 1 726 . 1 1 77 77 MET N N 15 119.408 . . 1 . . . . 77 M N . 18471 1 727 . 1 1 78 78 GLU H H 1 8.277 . . 1 . . . . 78 E NH . 18471 1 728 . 1 1 78 78 GLU HA H 1 3.921 . . 1 . . . . 78 E HA . 18471 1 729 . 1 1 78 78 GLU HB2 H 1 2.059 . . 2 . . . . 78 E HB . 18471 1 730 . 1 1 78 78 GLU HB3 H 1 2.059 . . 2 . . . . 78 E HB . 18471 1 731 . 1 1 78 78 GLU HG2 H 1 2.349 . . 2 . . . . 78 E HG . 18471 1 732 . 1 1 78 78 GLU HG3 H 1 2.349 . . 2 . . . . 78 E HG . 18471 1 733 . 1 1 78 78 GLU CA C 13 56.134 . . 1 . . . . 78 E CA . 18471 1 734 . 1 1 78 78 GLU CB C 13 26.431 . . 1 . . . . 78 E CB . 18471 1 735 . 1 1 78 78 GLU CG C 13 33.126 . . 1 . . . . 78 E CG . 18471 1 736 . 1 1 78 78 GLU N N 15 118.002 . . 1 . . . . 78 E N . 18471 1 737 . 1 1 79 79 GLU H H 1 7.811 . . 1 . . . . 79 E NH . 18471 1 738 . 1 1 79 79 GLU HA H 1 4.052 . . 1 . . . . 79 E HA . 18471 1 739 . 1 1 79 79 GLU HB2 H 1 2.022 . . 2 . . . . 79 E HB . 18471 1 740 . 1 1 79 79 GLU HB3 H 1 2.022 . . 2 . . . . 79 E HB . 18471 1 741 . 1 1 79 79 GLU HG2 H 1 2.381 . . 2 . . . . 79 E HG2 . 18471 1 742 . 1 1 79 79 GLU HG3 H 1 2.306 . . 2 . . . . 79 E HG3 . 18471 1 743 . 1 1 79 79 GLU CA C 13 55.915 . . 1 . . . . 79 E CA . 18471 1 744 . 1 1 79 79 GLU CB C 13 26.944 . . 1 . . . . 79 E CB . 18471 1 745 . 1 1 79 79 GLU CG C 13 33.623 . . 1 . . . . 79 E CG . 18471 1 746 . 1 1 79 79 GLU N N 15 117.477 . . 1 . . . . 79 E N . 18471 1 747 . 1 1 80 80 GLY H H 1 8.048 . . 1 . . . . 80 G NH . 18471 1 748 . 1 1 80 80 GLY HA2 H 1 3.943 . . 2 . . . . 80 G HA . 18471 1 749 . 1 1 80 80 GLY HA3 H 1 3.943 . . 2 . . . . 80 G HA . 18471 1 750 . 1 1 80 80 GLY CA C 13 45.673 . . 1 . . . . 80 G CA . 18471 1 751 . 1 1 80 80 GLY N N 15 108.809 . . 1 . . . . 80 G N . 18471 1 752 . 1 1 81 81 LYS H H 1 7.608 . . 1 . . . . 81 K NH . 18471 1 753 . 1 1 81 81 LYS HA H 1 3.850 . . 1 . . . . 81 K HA . 18471 1 754 . 1 1 81 81 LYS HB2 H 1 1.865 . . 2 . . . . 81 K HB . 18471 1 755 . 1 1 81 81 LYS HB3 H 1 1.865 . . 2 . . . . 81 K HB . 18471 1 756 . 1 1 81 81 LYS HG2 H 1 1.829 . . 2 . . . . 81 K HG . 18471 1 757 . 1 1 81 81 LYS HG3 H 1 1.829 . . 2 . . . . 81 K HG . 18471 1 758 . 1 1 81 81 LYS HD2 H 1 1.672 . . 2 . . . . 81 K HD . 18471 1 759 . 1 1 81 81 LYS HD3 H 1 1.672 . . 2 . . . . 81 K HD . 18471 1 760 . 1 1 81 81 LYS HE2 H 1 2.912 . . 2 . . . . 81 K HE . 18471 1 761 . 1 1 81 81 LYS HE3 H 1 2.912 . . 2 . . . . 81 K HE . 18471 1 762 . 1 1 81 81 LYS CA C 13 55.643 . . 1 . . . . 81 K CA . 18471 1 763 . 1 1 81 81 LYS CB C 13 29.355 . . 1 . . . . 81 K CB . 18471 1 764 . 1 1 81 81 LYS CG C 13 23.443 . . 1 . . . . 81 K CG . 18471 1 765 . 1 1 81 81 LYS CD C 13 26.927 . . 1 . . . . 81 K CD . 18471 1 766 . 1 1 81 81 LYS CE C 13 38.861 . . 1 . . . . 81 K CE . 18471 1 767 . 1 1 81 81 LYS N N 15 115.907 . . 1 . . . . 81 K N . 18471 1 768 . 1 1 82 82 LEU H H 1 7.166 . . 1 . . . . 82 L NH . 18471 1 769 . 1 1 82 82 LEU HA H 1 4.167 . . 1 . . . . 82 L HA . 18471 1 770 . 1 1 82 82 LEU HB2 H 1 1.620 . . 2 . . . . 82 L HB . 18471 1 771 . 1 1 82 82 LEU HB3 H 1 1.620 . . 2 . . . . 82 L HB . 18471 1 772 . 1 1 82 82 LEU HG H 1 1.897 . . 1 . . . . 82 L HG . 18471 1 773 . 1 1 82 82 LEU HD11 H 1 0.962 . . 2 . . . . 82 L HD1# . 18471 1 774 . 1 1 82 82 LEU HD12 H 1 0.962 . . 2 . . . . 82 L HD1# . 18471 1 775 . 1 1 82 82 LEU HD13 H 1 0.962 . . 2 . . . . 82 L HD1# . 18471 1 776 . 1 1 82 82 LEU HD21 H 1 0.892 . . 2 . . . . 82 L HD2# . 18471 1 777 . 1 1 82 82 LEU HD22 H 1 0.892 . . 2 . . . . 82 L HD2# . 18471 1 778 . 1 1 82 82 LEU HD23 H 1 0.892 . . 2 . . . . 82 L HD2# . 18471 1 779 . 1 1 82 82 LEU CA C 13 52.984 . . 1 . . . . 82 L CA . 18471 1 780 . 1 1 82 82 LEU CB C 13 38.632 . . 1 . . . . 82 L CB . 18471 1 781 . 1 1 82 82 LEU CD1 C 13 22.453 . . 2 . . . . 82 L CD1 . 18471 1 782 . 1 1 82 82 LEU CD2 C 13 19.361 . . 2 . . . . 82 L CD2 . 18471 1 783 . 1 1 82 82 LEU N N 15 117.021 . . 1 . . . . 82 L N . 18471 1 784 . 1 1 83 83 ASP H H 1 7.736 . . 1 . . . . 83 D NH . 18471 1 785 . 1 1 83 83 ASP HA H 1 4.884 . . 1 . . . . 83 D HA . 18471 1 786 . 1 1 83 83 ASP HB2 H 1 2.930 . . 2 . . . . 83 D HB2 . 18471 1 787 . 1 1 83 83 ASP HB3 H 1 2.544 . . 2 . . . . 83 D HB3 . 18471 1 788 . 1 1 83 83 ASP CA C 13 49.872 . . 1 . . . . 83 D CA . 18471 1 789 . 1 1 83 83 ASP CB C 13 41.152 . . 1 . . . . 83 D CB . 18471 1 790 . 1 1 83 83 ASP N N 15 121.839 . . 1 . . . . 83 D N . 18471 1 791 . 1 1 84 84 ALA H H 1 8.837 . . 1 . . . . 84 A NH . 18471 1 792 . 1 1 84 84 ALA HA H 1 4.074 . . 1 . . . . 84 A HA . 18471 1 793 . 1 1 84 84 ALA HB1 H 1 1.495 . . 1 . . . . 84 A HB# . 18471 1 794 . 1 1 84 84 ALA HB2 H 1 1.495 . . 1 . . . . 84 A HB# . 18471 1 795 . 1 1 84 84 ALA HB3 H 1 1.495 . . 1 . . . . 84 A HB# . 18471 1 796 . 1 1 84 84 ALA CA C 13 52.746 . . 1 . . . . 84 A CA . 18471 1 797 . 1 1 84 84 ALA CB C 13 15.780 . . 1 . . . . 84 A CB . 18471 1 798 . 1 1 84 84 ALA N N 15 127.936 . . 1 . . . . 84 A N . 18471 1 799 . 1 1 85 85 SER H H 1 8.322 . . 1 . . . . 85 S NH . 18471 1 800 . 1 1 85 85 SER HA H 1 4.504 . . 1 . . . . 85 S HA . 18471 1 801 . 1 1 85 85 SER HB2 H 1 4.304 . . 2 . . . . 85 S HB . 18471 1 802 . 1 1 85 85 SER HB3 H 1 4.304 . . 2 . . . . 85 S HB . 18471 1 803 . 1 1 85 85 SER CA C 13 58.242 . . 1 . . . . 85 S CA . 18471 1 804 . 1 1 85 85 SER CB C 13 60.125 . . 1 . . . . 85 S CB . 18471 1 805 . 1 1 85 85 SER N N 15 113.389 . . 1 . . . . 85 S N . 18471 1 806 . 1 1 86 86 CYS H H 1 8.719 . . 1 . . . . 86 C NH . 18471 1 807 . 1 1 86 86 CYS HA H 1 3.414 . . 1 . . . . 86 C HA . 18471 1 808 . 1 1 86 86 CYS HB2 H 1 2.717 . . 2 . . . . 86 C HB2 . 18471 1 809 . 1 1 86 86 CYS HB3 H 1 1.732 . . 2 . . . . 86 C HB3 . 18471 1 810 . 1 1 86 86 CYS CA C 13 58.966 . . 1 . . . . 86 C CA . 18471 1 811 . 1 1 86 86 CYS CB C 13 22.721 . . 1 . . . . 86 C CB . 18471 1 812 . 1 1 86 86 CYS N N 15 127.612 . . 1 . . . . 86 C N . 18471 1 813 . 1 1 87 87 ALA H H 1 8.900 . . 1 . . . . 87 A NH . 18471 1 814 . 1 1 87 87 ALA HA H 1 3.792 . . 1 . . . . 87 A HA . 18471 1 815 . 1 1 87 87 ALA HB1 H 1 1.557 . . 1 . . . . 87 A HB# . 18471 1 816 . 1 1 87 87 ALA HB2 H 1 1.557 . . 1 . . . . 87 A HB# . 18471 1 817 . 1 1 87 87 ALA HB3 H 1 1.557 . . 1 . . . . 87 A HB# . 18471 1 818 . 1 1 87 87 ALA CA C 13 52.856 . . 1 . . . . 87 A CA . 18471 1 819 . 1 1 87 87 ALA CB C 13 15.226 . . 1 . . . . 87 A CB . 18471 1 820 . 1 1 87 87 ALA N N 15 119.496 . . 1 . . . . 87 A N . 18471 1 821 . 1 1 88 88 VAL H H 1 7.039 . . 1 . . . . 88 V NH . 18471 1 822 . 1 1 88 88 VAL HA H 1 3.760 . . 1 . . . . 88 V HA . 18471 1 823 . 1 1 88 88 VAL HB H 1 2.206 . . 1 . . . . 88 V HB . 18471 1 824 . 1 1 88 88 VAL HG11 H 1 1.180 . . 2 . . . . 88 V HG1# . 18471 1 825 . 1 1 88 88 VAL HG12 H 1 1.180 . . 2 . . . . 88 V HG1# . 18471 1 826 . 1 1 88 88 VAL HG13 H 1 1.180 . . 2 . . . . 88 V HG1# . 18471 1 827 . 1 1 88 88 VAL HG21 H 1 1.051 . . 2 . . . . 88 V HG2# . 18471 1 828 . 1 1 88 88 VAL HG22 H 1 1.051 . . 2 . . . . 88 V HG2# . 18471 1 829 . 1 1 88 88 VAL HG23 H 1 1.051 . . 2 . . . . 88 V HG2# . 18471 1 830 . 1 1 88 88 VAL CA C 13 62.873 . . 1 . . . . 88 V CA . 18471 1 831 . 1 1 88 88 VAL CB C 13 28.914 . . 1 . . . . 88 V CB . 18471 1 832 . 1 1 88 88 VAL CG1 C 13 19.015 . . 2 . . . . 88 V CG1 . 18471 1 833 . 1 1 88 88 VAL N N 15 118.078 . . 1 . . . . 88 V N . 18471 1 834 . 1 1 89 89 ALA H H 1 7.716 . . 1 . . . . 89 A NH . 18471 1 835 . 1 1 89 89 ALA HA H 1 3.724 . . 1 . . . . 89 A HA . 18471 1 836 . 1 1 89 89 ALA HB1 H 1 1.247 . . 1 . . . . 89 A HB . 18471 1 837 . 1 1 89 89 ALA HB2 H 1 1.247 . . 1 . . . . 89 A HB . 18471 1 838 . 1 1 89 89 ALA HB3 H 1 1.247 . . 1 . . . . 89 A HB . 18471 1 839 . 1 1 89 89 ALA CA C 13 52.752 . . 1 . . . . 89 A CA . 18471 1 840 . 1 1 89 89 ALA CB C 13 15.958 . . 1 . . . . 89 A CB . 18471 1 841 . 1 1 89 89 ALA N N 15 122.873 . . 1 . . . . 89 A N . 18471 1 842 . 1 1 90 90 ILE H H 1 8.736 . . 1 . . . . 90 I NH . 18471 1 843 . 1 1 90 90 ILE HA H 1 3.281 . . 1 . . . . 90 I HA . 18471 1 844 . 1 1 90 90 ILE HB H 1 1.931 . . 1 . . . . 90 I HB . 18471 1 845 . 1 1 90 90 ILE HG12 H 1 1.134 . . 2 . . . . 90 I HG1# . 18471 1 846 . 1 1 90 90 ILE HG13 H 1 1.134 . . 2 . . . . 90 I HG1# . 18471 1 847 . 1 1 90 90 ILE HG21 H 1 1.026 . . 1 . . . . 90 I HG2# . 18471 1 848 . 1 1 90 90 ILE HG22 H 1 1.026 . . 1 . . . . 90 I HG2# . 18471 1 849 . 1 1 90 90 ILE HG23 H 1 1.026 . . 1 . . . . 90 I HG2# . 18471 1 850 . 1 1 90 90 ILE CA C 13 63.099 . . 1 . . . . 90 I CA . 18471 1 851 . 1 1 90 90 ILE CB C 13 35.294 . . 1 . . . . 90 I CB . 18471 1 852 . 1 1 90 90 ILE CG2 C 13 15.327 . . 1 . . . . 90 I CG2 . 18471 1 853 . 1 1 90 90 ILE CD1 C 13 12.999 . . 1 . . . . 90 I CD . 18471 1 854 . 1 1 90 90 ILE N N 15 117.605 . . 1 . . . . 90 I N . 18471 1 855 . 1 1 91 91 GLU H H 1 7.628 . . 1 . . . . 91 E NH . 18471 1 856 . 1 1 91 91 GLU HA H 1 3.998 . . 1 . . . . 91 E HA . 18471 1 857 . 1 1 91 91 GLU HB2 H 1 2.206 . . 2 . . . . 91 E HB . 18471 1 858 . 1 1 91 91 GLU HB3 H 1 2.206 . . 2 . . . . 91 E HB . 18471 1 859 . 1 1 91 91 GLU HG2 H 1 2.456 . . 2 . . . . 91 E HG2 . 18471 1 860 . 1 1 91 91 GLU HG3 H 1 2.307 . . 2 . . . . 91 E HG3 . 18471 1 861 . 1 1 91 91 GLU CA C 13 56.905 . . 1 . . . . 91 E CA . 18471 1 862 . 1 1 91 91 GLU CB C 13 26.470 . . 1 . . . . 91 E CB . 18471 1 863 . 1 1 91 91 GLU N N 15 119.158 . . 1 . . . . 91 E N . 18471 1 864 . 1 1 92 92 GLU H H 1 8.327 . . 1 . . . . 92 E NH . 18471 1 865 . 1 1 92 92 GLU HA H 1 4.002 . . 1 . . . . 92 E HA . 18471 1 866 . 1 1 92 92 GLU HB2 H 1 2.118 . . 2 . . . . 92 E HB2 . 18471 1 867 . 1 1 92 92 GLU HB3 H 1 1.973 . . 2 . . . . 92 E HB3 . 18471 1 868 . 1 1 92 92 GLU HG2 H 1 2.669 . . 2 . . . . 92 E HG2 . 18471 1 869 . 1 1 92 92 GLU HG3 H 1 2.153 . . 2 . . . . 92 E HG3 . 18471 1 870 . 1 1 92 92 GLU CA C 13 56.833 . . 1 . . . . 92 E CA . 18471 1 871 . 1 1 92 92 GLU CB C 13 27.078 . . 1 . . . . 92 E CB . 18471 1 872 . 1 1 92 92 GLU CG C 13 34.025 . . 1 . . . . 92 E CG . 18471 1 873 . 1 1 92 92 GLU N N 15 118.776 . . 1 . . . . 92 E N . 18471 1 874 . 1 1 93 93 ALA H H 1 8.579 . . 1 . . . . 93 A NH . 18471 1 875 . 1 1 93 93 ALA HA H 1 3.673 . . 1 . . . . 93 A HA . 18471 1 876 . 1 1 93 93 ALA HB1 H 1 0.537 . . 1 . . . . 93 A HB# . 18471 1 877 . 1 1 93 93 ALA HB2 H 1 0.537 . . 1 . . . . 93 A HB# . 18471 1 878 . 1 1 93 93 ALA HB3 H 1 0.537 . . 1 . . . . 93 A HB# . 18471 1 879 . 1 1 93 93 ALA CA C 13 52.210 . . 1 . . . . 93 A CA . 18471 1 880 . 1 1 93 93 ALA CB C 13 15.305 . . 1 . . . . 93 A CB . 18471 1 881 . 1 1 93 93 ALA N N 15 123.691 . . 1 . . . . 93 A N . 18471 1 882 . 1 1 94 94 ILE H H 1 8.596 . . 1 . . . . 94 I NH . 18471 1 883 . 1 1 94 94 ILE HA H 1 3.709 . . 1 . . . . 94 I HA . 18471 1 884 . 1 1 94 94 ILE HB H 1 2.055 . . 1 . . . . 94 I HB . 18471 1 885 . 1 1 94 94 ILE HG21 H 1 0.998 . . 1 . . . . 94 I HG2# . 18471 1 886 . 1 1 94 94 ILE HG22 H 1 0.998 . . 1 . . . . 94 I HG2# . 18471 1 887 . 1 1 94 94 ILE HG23 H 1 0.998 . . 1 . . . . 94 I HG2# . 18471 1 888 . 1 1 94 94 ILE CA C 13 63.246 . . 1 . . . . 94 I CA . 18471 1 889 . 1 1 94 94 ILE CB C 13 34.852 . . 1 . . . . 94 I CB . 18471 1 890 . 1 1 94 94 ILE CG1 C 13 27.135 . . 1 . . . . 94 I CG1 . 18471 1 891 . 1 1 94 94 ILE CG2 C 13 14.234 . . 1 . . . . 94 I CG2 . 18471 1 892 . 1 1 94 94 ILE CD1 C 13 11.006 . . 1 . . . . 94 I CD1 . 18471 1 893 . 1 1 94 94 ILE N N 15 118.686 . . 1 . . . . 94 I N . 18471 1 894 . 1 1 95 95 GLN H H 1 7.435 . . 1 . . . . 95 Q NH . 18471 1 895 . 1 1 95 95 GLN HA H 1 4.140 . . 1 . . . . 95 Q HA . 18471 1 896 . 1 1 95 95 GLN HB2 H 1 2.211 . . 2 . . . . 95 Q HB . 18471 1 897 . 1 1 95 95 GLN HB3 H 1 2.211 . . 2 . . . . 95 Q HB . 18471 1 898 . 1 1 95 95 GLN HG2 H 1 2.352 . . 2 . . . . 95 Q HG . 18471 1 899 . 1 1 95 95 GLN HG3 H 1 2.352 . . 2 . . . . 95 Q HG . 18471 1 900 . 1 1 95 95 GLN CA C 13 56.171 . . 1 . . . . 95 Q CA . 18471 1 901 . 1 1 95 95 GLN CB C 13 25.097 . . 1 . . . . 95 Q CB . 18471 1 902 . 1 1 95 95 GLN CG C 13 30.663 . . 1 . . . . 95 Q CG . 18471 1 903 . 1 1 95 95 GLN N N 15 118.547 . . 1 . . . . 95 Q N . 18471 1 904 . 1 1 96 96 LEU H H 1 8.253 . . 1 . . . . 96 L NH . 18471 1 905 . 1 1 96 96 LEU HA H 1 4.040 . . 1 . . . . 96 L HA . 18471 1 906 . 1 1 96 96 LEU HB2 H 1 1.939 . . 2 . . . . 96 L HB2 . 18471 1 907 . 1 1 96 96 LEU HB3 H 1 1.460 . . 2 . . . . 96 L HB3 . 18471 1 908 . 1 1 96 96 LEU HG H 1 1.787 . . 1 . . . . 96 L HG . 18471 1 909 . 1 1 96 96 LEU HD11 H 1 0.767 . . 2 . . . . 96 L HD1# . 18471 1 910 . 1 1 96 96 LEU HD12 H 1 0.767 . . 2 . . . . 96 L HD1# . 18471 1 911 . 1 1 96 96 LEU HD13 H 1 0.767 . . 2 . . . . 96 L HD1# . 18471 1 912 . 1 1 96 96 LEU HD21 H 1 1.047 . . 2 . . . . 96 L HD2# . 18471 1 913 . 1 1 96 96 LEU HD22 H 1 1.047 . . 2 . . . . 96 L HD2# . 18471 1 914 . 1 1 96 96 LEU HD23 H 1 1.047 . . 2 . . . . 96 L HD2# . 18471 1 915 . 1 1 96 96 LEU CA C 13 55.005 . . 1 . . . . 96 L CA . 18471 1 916 . 1 1 96 96 LEU CB C 13 39.143 . . 1 . . . . 96 L CB . 18471 1 917 . 1 1 96 96 LEU CD1 C 13 22.449 . . 2 . . . . 96 L CD1 . 18471 1 918 . 1 1 96 96 LEU CD2 C 13 19.869 . . 2 . . . . 96 L CD2 . 18471 1 919 . 1 1 96 96 LEU N N 15 120.379 . . 1 . . . . 96 L N . 18471 1 920 . 1 1 97 97 TYR H H 1 9.042 . . 1 . . . . 97 Y NH . 18471 1 921 . 1 1 97 97 TYR HA H 1 3.964 . . 1 . . . . 97 Y HA . 18471 1 922 . 1 1 97 97 TYR HB2 H 1 3.414 . . 2 . . . . 97 Y HB2 . 18471 1 923 . 1 1 97 97 TYR HB3 H 1 3.214 . . 2 . . . . 97 Y HB3 . 18471 1 924 . 1 1 97 97 TYR CA C 13 59.167 . . 1 . . . . 97 Y CA . 18471 1 925 . 1 1 97 97 TYR CB C 13 35.759 . . 1 . . . . 97 Y CB . 18471 1 926 . 1 1 97 97 TYR N N 15 123.736 . . 1 . . . . 97 Y N . 18471 1 927 . 1 1 98 98 GLU H H 1 8.551 . . 1 . . . . 98 E NH . 18471 1 928 . 1 1 98 98 GLU HA H 1 3.940 . . 1 . . . . 98 E HA . 18471 1 929 . 1 1 98 98 GLU HB2 H 1 2.272 . . 2 . . . . 98 E HB2 . 18471 1 930 . 1 1 98 98 GLU HB3 H 1 2.092 . . 2 . . . . 98 E HB3 . 18471 1 931 . 1 1 98 98 GLU HG2 H 1 2.670 . . 2 . . . . 98 E HG2 . 18471 1 932 . 1 1 98 98 GLU HG3 H 1 2.395 . . 2 . . . . 98 E HG3 . 18471 1 933 . 1 1 98 98 GLU CA C 13 56.630 . . 1 . . . . 98 E CA . 18471 1 934 . 1 1 98 98 GLU CB C 13 26.297 . . 1 . . . . 98 E CB . 18471 1 935 . 1 1 98 98 GLU CG C 13 33.560 . . 1 . . . . 98 E CG . 18471 1 936 . 1 1 98 98 GLU N N 15 118.602 . . 1 . . . . 98 E N . 18471 1 937 . 1 1 99 99 GLU H H 1 8.047 . . 1 . . . . 99 E NH . 18471 1 938 . 1 1 99 99 GLU HA H 1 4.003 . . 1 . . . . 99 E HA . 18471 1 939 . 1 1 99 99 GLU HB2 H 1 2.134 . . 2 . . . . 99 E HB2 . 18471 1 940 . 1 1 99 99 GLU HB3 H 1 2.059 . . 2 . . . . 99 E HB3 . 18471 1 941 . 1 1 99 99 GLU HG2 H 1 2.623 . . 2 . . . . 99 E HG . 18471 1 942 . 1 1 99 99 GLU HG3 H 1 2.623 . . 2 . . . . 99 E HG . 18471 1 943 . 1 1 99 99 GLU CA C 13 56.311 . . 1 . . . . 99 E CA . 18471 1 944 . 1 1 99 99 GLU CG C 13 33.234 . . 1 . . . . 99 E CG . 18471 1 945 . 1 1 99 99 GLU N N 15 119.307 . . 1 . . . . 99 E N . 18471 1 946 . 1 1 100 100 GLN H H 1 8.086 . . 1 . . . . 100 Q NH . 18471 1 947 . 1 1 100 100 GLN HA H 1 4.040 . . 1 . . . . 100 Q HA . 18471 1 948 . 1 1 100 100 GLN HB2 H 1 2.210 . . 2 . . . . 100 Q HB2 . 18471 1 949 . 1 1 100 100 GLN HB3 H 1 2.018 . . 2 . . . . 100 Q HB3 . 18471 1 950 . 1 1 100 100 GLN HG3 H 1 2.425 . . 2 . . . . 100 Q HG3 . 18471 1 951 . 1 1 100 100 GLN CA C 13 55.791 . . 1 . . . . 100 Q CA . 18471 1 952 . 1 1 100 100 GLN CB C 13 25.145 . . 1 . . . . 100 Q CB . 18471 1 953 . 1 1 100 100 GLN CG C 13 30.857 . . 1 . . . . 100 Q CG . 18471 1 954 . 1 1 100 100 GLN N N 15 120.935 . . 1 . . . . 100 Q N . 18471 1 955 . 1 1 101 101 LEU H H 1 7.918 . . 1 . . . . 101 L NH . 18471 1 956 . 1 1 101 101 LEU HA H 1 3.924 . . 1 . . . . 101 L HA . 18471 1 957 . 1 1 101 101 LEU HB2 H 1 1.663 . . 2 . . . . 101 L HB2 . 18471 1 958 . 1 1 101 101 LEU HB3 H 1 1.441 . . 2 . . . . 101 L HB3 . 18471 1 959 . 1 1 101 101 LEU HD11 H 1 0.749 . . 2 . . . . 101 L HD1 . 18471 1 960 . 1 1 101 101 LEU HD12 H 1 0.749 . . 2 . . . . 101 L HD1 . 18471 1 961 . 1 1 101 101 LEU HD13 H 1 0.749 . . 2 . . . . 101 L HD1 . 18471 1 962 . 1 1 101 101 LEU CA C 13 54.539 . . 1 . . . . 101 L CA . 18471 1 963 . 1 1 101 101 LEU CB C 13 38.670 . . 1 . . . . 101 L CB . 18471 1 964 . 1 1 101 101 LEU CD1 C 13 22.137 . . 2 . . . . 101 L CD1 . 18471 1 965 . 1 1 101 101 LEU CD2 C 13 20.003 . . 2 . . . . 101 L CD2 . 18471 1 966 . 1 1 101 101 LEU N N 15 120.113 . . 1 . . . . 101 L N . 18471 1 967 . 1 1 102 102 LYS H H 1 7.724 . . 1 . . . . 102 K NH . 18471 1 968 . 1 1 102 102 LYS HA H 1 4.031 . . 1 . . . . 102 K HA . 18471 1 969 . 1 1 102 102 LYS HB2 H 1 1.857 . . 2 . . . . 102 K HB . 18471 1 970 . 1 1 102 102 LYS HB3 H 1 1.857 . . 2 . . . . 102 K HB . 18471 1 971 . 1 1 102 102 LYS HG2 H 1 1.409 . . 2 . . . . 102 K HG . 18471 1 972 . 1 1 102 102 LYS HG3 H 1 1.409 . . 2 . . . . 102 K HG . 18471 1 973 . 1 1 102 102 LYS HD2 H 1 1.632 . . 2 . . . . 102 K HD . 18471 1 974 . 1 1 102 102 LYS HD3 H 1 1.632 . . 2 . . . . 102 K HD . 18471 1 975 . 1 1 102 102 LYS HE2 H 1 2.936 . . 2 . . . . 102 K HE . 18471 1 976 . 1 1 102 102 LYS HE3 H 1 2.936 . . 2 . . . . 102 K HE . 18471 1 977 . 1 1 102 102 LYS CA C 13 55.511 . . 1 . . . . 102 K CA . 18471 1 978 . 1 1 102 102 LYS CB C 13 29.464 . . 1 . . . . 102 K CB . 18471 1 979 . 1 1 102 102 LYS CG C 13 22.246 . . 1 . . . . 102 K CG . 18471 1 980 . 1 1 102 102 LYS CD C 13 26.356 . . 1 . . . . 102 K CD . 18471 1 981 . 1 1 102 102 LYS CE C 13 38.889 . . 1 . . . . 102 K CE . 18471 1 982 . 1 1 102 102 LYS N N 15 119.040 . . 1 . . . . 102 K N . 18471 1 983 . 1 1 103 103 ALA H H 1 7.789 . . 1 . . . . 103 A NH . 18471 1 984 . 1 1 103 103 ALA HA H 1 4.185 . . 1 . . . . 103 A HA . 18471 1 985 . 1 1 103 103 ALA HB1 H 1 1.451 . . 1 . . . . 103 A HB . 18471 1 986 . 1 1 103 103 ALA HB2 H 1 1.451 . . 1 . . . . 103 A HB . 18471 1 987 . 1 1 103 103 ALA HB3 H 1 1.451 . . 1 . . . . 103 A HB . 18471 1 988 . 1 1 103 103 ALA CA C 13 50.747 . . 1 . . . . 103 A CA . 18471 1 989 . 1 1 103 103 ALA CB C 13 15.591 . . 1 . . . . 103 A CB . 18471 1 990 . 1 1 103 103 ALA N N 15 121.754 . . 1 . . . . 103 A N . 18471 1 991 . 1 1 104 104 GLN H H 1 7.870 . . 1 . . . . 104 Q NH . 18471 1 992 . 1 1 104 104 GLN HA H 1 4.199 . . 1 . . . . 104 Q HA . 18471 1 993 . 1 1 104 104 GLN HB2 H 1 2.079 . . 2 . . . . 104 Q HB . 18471 1 994 . 1 1 104 104 GLN HB3 H 1 2.079 . . 2 . . . . 104 Q HB . 18471 1 995 . 1 1 104 104 GLN HG2 H 1 2.441 . . 2 . . . . 104 Q HG . 18471 1 996 . 1 1 104 104 GLN HG3 H 1 2.441 . . 2 . . . . 104 Q HG . 18471 1 997 . 1 1 104 104 GLN CA C 13 53.575 . . 1 . . . . 104 Q CA . 18471 1 998 . 1 1 104 104 GLN CB C 13 25.921 . . 1 . . . . 104 Q CB . 18471 1 999 . 1 1 104 104 GLN CG C 13 30.711 . . 1 . . . . 104 Q CG . 18471 1 1000 . 1 1 104 104 GLN N N 15 117.353 . . 1 . . . . 104 Q N . 18471 1 1001 . 1 1 105 105 ALA H H 1 7.912 . . 1 . . . . 105 A NH . 18471 1 1002 . 1 1 105 105 ALA HA H 1 4.277 . . 1 . . . . 105 A HA . 18471 1 1003 . 1 1 105 105 ALA HB1 H 1 1.429 . . 1 . . . . 105 A HB# . 18471 1 1004 . 1 1 105 105 ALA HB2 H 1 1.429 . . 1 . . . . 105 A HB# . 18471 1 1005 . 1 1 105 105 ALA HB3 H 1 1.429 . . 1 . . . . 105 A HB# . 18471 1 1006 . 1 1 105 105 ALA CA C 13 50.066 . . 1 . . . . 105 A CA . 18471 1 1007 . 1 1 105 105 ALA CB C 13 15.980 . . 1 . . . . 105 A CB . 18471 1 1008 . 1 1 105 105 ALA N N 15 123.226 . . 1 . . . . 105 A N . 18471 1 1009 . 1 1 106 106 GLY H H 1 8.213 . . 1 . . . . 106 G NH . 18471 1 1010 . 1 1 106 106 GLY HA2 H 1 3.976 . . 2 . . . . 106 G HA . 18471 1 1011 . 1 1 106 106 GLY HA3 H 1 3.976 . . 2 . . . . 106 G HA . 18471 1 1012 . 1 1 106 106 GLY CA C 13 42.423 . . 1 . . . . 106 G CA . 18471 1 1013 . 1 1 106 106 GLY N N 15 107.314 . . 1 . . . . 106 G N . 18471 1 1014 . 1 1 107 107 GLY H H 1 8.233 . . 1 . . . . 107 G NH . 18471 1 1015 . 1 1 107 107 GLY HA2 H 1 4.020 . . 2 . . . . 107 G HA . 18471 1 1016 . 1 1 107 107 GLY HA3 H 1 4.020 . . 2 . . . . 107 G HA . 18471 1 1017 . 1 1 107 107 GLY CA C 13 42.377 . . 1 . . . . 107 G CA . 18471 1 1018 . 1 1 107 107 GLY N N 15 108.637 . . 1 . . . . 107 G N . 18471 1 1019 . 1 1 108 108 THR H H 1 8.162 . . 1 . . . . 108 T NH . 18471 1 1020 . 1 1 108 108 THR HA H 1 4.247 . . 1 . . . . 108 T HA . 18471 1 1021 . 1 1 108 108 THR HG21 H 1 1.163 . . 1 . . . . 108 T HG2# . 18471 1 1022 . 1 1 108 108 THR HG22 H 1 1.163 . . 1 . . . . 108 T HG2# . 18471 1 1023 . 1 1 108 108 THR HG23 H 1 1.163 . . 1 . . . . 108 T HG2# . 18471 1 1024 . 1 1 108 108 THR CA C 13 58.995 . . 1 . . . . 108 T CA . 18471 1 1025 . 1 1 108 108 THR CB C 13 66.678 . . 1 . . . . 108 T CB . 18471 1 1026 . 1 1 108 108 THR CG2 C 13 18.727 . . 1 . . . . 108 T CG . 18471 1 1027 . 1 1 108 108 THR N N 15 113.360 . . 1 . . . . 108 T N . 18471 1 1028 . 1 1 109 109 ASN H H 1 8.560 . . 1 . . . . 109 N NH . 18471 1 1029 . 1 1 109 109 ASN HA H 1 4.692 . . 1 . . . . 109 N HA . 18471 1 1030 . 1 1 109 109 ASN HB2 H 1 2.779 . . 2 . . . . 109 N HB . 18471 1 1031 . 1 1 109 109 ASN HB3 H 1 2.779 . . 2 . . . . 109 N HB . 18471 1 1032 . 1 1 109 109 ASN CA C 13 50.410 . . 1 . . . . 109 N CA . 18471 1 1033 . 1 1 109 109 ASN CB C 13 35.794 . . 1 . . . . 109 N CB . 18471 1 1034 . 1 1 109 109 ASN N N 15 120.939 . . 1 . . . . 109 N N . 18471 1 1035 . 1 1 110 110 GLU H H 1 8.433 . . 1 . . . . 110 E NH . 18471 1 1036 . 1 1 110 110 GLU HA H 1 4.191 . . 1 . . . . 110 E HA . 18471 1 1037 . 1 1 110 110 GLU HB2 H 1 2.002 . . 2 . . . . 110 E HB2 . 18471 1 1038 . 1 1 110 110 GLU HB3 H 1 1.944 . . 2 . . . . 110 E HB3 . 18471 1 1039 . 1 1 110 110 GLU HG2 H 1 2.236 . . 2 . . . . 110 E HG . 18471 1 1040 . 1 1 110 110 GLU HG3 H 1 2.236 . . 2 . . . . 110 E HG . 18471 1 1041 . 1 1 110 110 GLU CA C 13 54.015 . . 1 . . . . 110 E CA . 18471 1 1042 . 1 1 110 110 GLU CB C 13 27.056 . . 1 . . . . 110 E CB . 18471 1 1043 . 1 1 110 110 GLU CG C 13 32.971 . . 1 . . . . 110 E CG . 18471 1 1044 . 1 1 110 110 GLU N N 15 121.415 . . 1 . . . . 110 E N . 18471 1 stop_ save_