data_11030 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11030 _Entry.Title ; Solution Structure of the N-terminal SAP Domain of SUMO E3 Ligases from Oryza sativa ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-01-29 _Entry.Accession_date 2008-01-30 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _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 Rintaro Suzuki . . . 11030 2 Heisaburo Shindo . . . 11030 3 Akira Tase . . . 11030 4 Toshimasa Yamazaki . . . 11030 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Protein Res. Unit, National Institute of Agrobiological Sciences' . 11030 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DNA binding' . 11030 'SUMO ligase' . 11030 sumoylation . 11030 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 11030 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 927 11030 '15N chemical shifts' 244 11030 '1H chemical shifts' 1468 11030 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 3 . . 2010-06-25 2008-01-29 update author 'update entry authors' 11030 2 . . 2009-03-13 2008-01-29 update BMRB 'complete entry citation' 11030 1 . . 2008-11-11 2008-01-29 original author 'original release' 11030 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1V66 'Entry contains the 3D-structure of human homologue of this protein.' 11030 PDB 2RNO 'BMRB Entry Tracking System' 11030 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11030 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18831036 _Citation.Full_citation . _Citation.Title ; Solution Structures and DNA Binding Properties of the N-terminal SAP Domains of SUMO E3 Ligases from Saccharomyces cerevisiae and Oryza sativa ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full . _Citation.Journal_volume 75 _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 336 _Citation.Page_last 347 _Citation.Year 2008 _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 Rintaro Suzuki . . . 11030 1 2 Heisaburo Shindo . . . 11030 1 3 Akira Tase . . . 11030 1 4 Yoshiko Kikuchi . . . 11030 1 5 Mitsuhiro Shimizu . . . 11030 1 6 Toshimasa Yamazaki . . . 11030 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11030 _Assembly.ID 1 _Assembly.Name 'Siz1 1-105' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Siz1 1-105' 1 $Siz1_1-105 A . yes native no no . . . 11030 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Siz1_1-105 _Entity.Sf_category entity _Entity.Sf_framecode Siz1_1-105 _Entity.Entry_ID 11030 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Siz1 1-105' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMASADLVSSCKDKLAYF RIKELKDILNQLGLPKQGKK QDLIDRVLALLTDEQGQRHH GWGRKNSLTKEAVAKIVDDT YRKMQIQCAPDLATRSHSGS DFSFRPIEEA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues (-5)-1 represent a non-native sequence from affinity tag.' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 110 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12388.231 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2RNO . "Solution Structure Of The N-Terminal Sap Domain Of Sumo E3 Ligases From Oryza Sativa" . . . . . 100.00 110 100.00 100.00 3.05e-74 . . . . 11030 1 2 no DBJ BAF16431 . "Os05g0125000 [Oryza sativa Japonica Group]" . . . . . 94.55 875 100.00 100.00 6.06e-63 . . . . 11030 1 3 no DBJ BAG97182 . "unnamed protein product [Oryza sativa Japonica Group]" . . . . . 94.55 875 100.00 100.00 6.06e-63 . . . . 11030 1 4 no DBJ BAS92058 . "Os05g0125000 [Oryza sativa Japonica Group]" . . . . . 94.55 875 100.00 100.00 6.06e-63 . . . . 11030 1 5 no GB AAT39226 . "putative DNA-binding protein [Oryza sativa Japonica Group]" . . . . . 94.55 875 100.00 100.00 6.06e-63 . . . . 11030 1 6 no GB EEC78434 . "hypothetical protein OsI_18272 [Oryza sativa Indica Group]" . . . . . 87.27 924 100.00 100.00 2.22e-57 . . . . 11030 1 7 no GB EEE62174 . "hypothetical protein OsJ_16961 [Oryza sativa Japonica Group]" . . . . . 94.55 913 100.00 100.00 5.64e-63 . . . . 11030 1 8 no REF NP_001054517 . "Os05g0125000 [Oryza sativa Japonica Group]" . . . . . 94.55 875 100.00 100.00 6.06e-63 . . . . 11030 1 9 no SP Q6L4L4 . "RecName: Full=E3 SUMO-protein ligase SIZ1" . . . . . 94.55 875 100.00 100.00 6.06e-63 . . . . 11030 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 -5 GLY . 11030 1 2 -4 SER . 11030 1 3 -3 HIS . 11030 1 4 -2 MET . 11030 1 5 -1 ALA . 11030 1 6 1 SER . 11030 1 7 2 ALA . 11030 1 8 3 ASP . 11030 1 9 4 LEU . 11030 1 10 5 VAL . 11030 1 11 6 SER . 11030 1 12 7 SER . 11030 1 13 8 CYS . 11030 1 14 9 LYS . 11030 1 15 10 ASP . 11030 1 16 11 LYS . 11030 1 17 12 LEU . 11030 1 18 13 ALA . 11030 1 19 14 TYR . 11030 1 20 15 PHE . 11030 1 21 16 ARG . 11030 1 22 17 ILE . 11030 1 23 18 LYS . 11030 1 24 19 GLU . 11030 1 25 20 LEU . 11030 1 26 21 LYS . 11030 1 27 22 ASP . 11030 1 28 23 ILE . 11030 1 29 24 LEU . 11030 1 30 25 ASN . 11030 1 31 26 GLN . 11030 1 32 27 LEU . 11030 1 33 28 GLY . 11030 1 34 29 LEU . 11030 1 35 30 PRO . 11030 1 36 31 LYS . 11030 1 37 32 GLN . 11030 1 38 33 GLY . 11030 1 39 34 LYS . 11030 1 40 35 LYS . 11030 1 41 36 GLN . 11030 1 42 37 ASP . 11030 1 43 38 LEU . 11030 1 44 39 ILE . 11030 1 45 40 ASP . 11030 1 46 41 ARG . 11030 1 47 42 VAL . 11030 1 48 43 LEU . 11030 1 49 44 ALA . 11030 1 50 45 LEU . 11030 1 51 46 LEU . 11030 1 52 47 THR . 11030 1 53 48 ASP . 11030 1 54 49 GLU . 11030 1 55 50 GLN . 11030 1 56 51 GLY . 11030 1 57 52 GLN . 11030 1 58 53 ARG . 11030 1 59 54 HIS . 11030 1 60 55 HIS . 11030 1 61 56 GLY . 11030 1 62 57 TRP . 11030 1 63 58 GLY . 11030 1 64 59 ARG . 11030 1 65 60 LYS . 11030 1 66 61 ASN . 11030 1 67 62 SER . 11030 1 68 63 LEU . 11030 1 69 64 THR . 11030 1 70 65 LYS . 11030 1 71 66 GLU . 11030 1 72 67 ALA . 11030 1 73 68 VAL . 11030 1 74 69 ALA . 11030 1 75 70 LYS . 11030 1 76 71 ILE . 11030 1 77 72 VAL . 11030 1 78 73 ASP . 11030 1 79 74 ASP . 11030 1 80 75 THR . 11030 1 81 76 TYR . 11030 1 82 77 ARG . 11030 1 83 78 LYS . 11030 1 84 79 MET . 11030 1 85 80 GLN . 11030 1 86 81 ILE . 11030 1 87 82 GLN . 11030 1 88 83 CYS . 11030 1 89 84 ALA . 11030 1 90 85 PRO . 11030 1 91 86 ASP . 11030 1 92 87 LEU . 11030 1 93 88 ALA . 11030 1 94 89 THR . 11030 1 95 90 ARG . 11030 1 96 91 SER . 11030 1 97 92 HIS . 11030 1 98 93 SER . 11030 1 99 94 GLY . 11030 1 100 95 SER . 11030 1 101 96 ASP . 11030 1 102 97 PHE . 11030 1 103 98 SER . 11030 1 104 99 PHE . 11030 1 105 100 ARG . 11030 1 106 101 PRO . 11030 1 107 102 ILE . 11030 1 108 103 GLU . 11030 1 109 104 GLU . 11030 1 110 105 ALA . 11030 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 . GLY 1 1 11030 1 . SER 2 2 11030 1 . HIS 3 3 11030 1 . MET 4 4 11030 1 . ALA 5 5 11030 1 . SER 6 6 11030 1 . ALA 7 7 11030 1 . ASP 8 8 11030 1 . LEU 9 9 11030 1 . VAL 10 10 11030 1 . SER 11 11 11030 1 . SER 12 12 11030 1 . CYS 13 13 11030 1 . LYS 14 14 11030 1 . ASP 15 15 11030 1 . LYS 16 16 11030 1 . LEU 17 17 11030 1 . ALA 18 18 11030 1 . TYR 19 19 11030 1 . PHE 20 20 11030 1 . ARG 21 21 11030 1 . ILE 22 22 11030 1 . LYS 23 23 11030 1 . GLU 24 24 11030 1 . LEU 25 25 11030 1 . LYS 26 26 11030 1 . ASP 27 27 11030 1 . ILE 28 28 11030 1 . LEU 29 29 11030 1 . ASN 30 30 11030 1 . GLN 31 31 11030 1 . LEU 32 32 11030 1 . GLY 33 33 11030 1 . LEU 34 34 11030 1 . PRO 35 35 11030 1 . LYS 36 36 11030 1 . GLN 37 37 11030 1 . GLY 38 38 11030 1 . LYS 39 39 11030 1 . LYS 40 40 11030 1 . GLN 41 41 11030 1 . ASP 42 42 11030 1 . LEU 43 43 11030 1 . ILE 44 44 11030 1 . ASP 45 45 11030 1 . ARG 46 46 11030 1 . VAL 47 47 11030 1 . LEU 48 48 11030 1 . ALA 49 49 11030 1 . LEU 50 50 11030 1 . LEU 51 51 11030 1 . THR 52 52 11030 1 . ASP 53 53 11030 1 . GLU 54 54 11030 1 . GLN 55 55 11030 1 . GLY 56 56 11030 1 . GLN 57 57 11030 1 . ARG 58 58 11030 1 . HIS 59 59 11030 1 . HIS 60 60 11030 1 . GLY 61 61 11030 1 . TRP 62 62 11030 1 . GLY 63 63 11030 1 . ARG 64 64 11030 1 . LYS 65 65 11030 1 . ASN 66 66 11030 1 . SER 67 67 11030 1 . LEU 68 68 11030 1 . THR 69 69 11030 1 . LYS 70 70 11030 1 . GLU 71 71 11030 1 . ALA 72 72 11030 1 . VAL 73 73 11030 1 . ALA 74 74 11030 1 . LYS 75 75 11030 1 . ILE 76 76 11030 1 . VAL 77 77 11030 1 . ASP 78 78 11030 1 . ASP 79 79 11030 1 . THR 80 80 11030 1 . TYR 81 81 11030 1 . ARG 82 82 11030 1 . LYS 83 83 11030 1 . MET 84 84 11030 1 . GLN 85 85 11030 1 . ILE 86 86 11030 1 . GLN 87 87 11030 1 . CYS 88 88 11030 1 . ALA 89 89 11030 1 . PRO 90 90 11030 1 . ASP 91 91 11030 1 . LEU 92 92 11030 1 . ALA 93 93 11030 1 . THR 94 94 11030 1 . ARG 95 95 11030 1 . SER 96 96 11030 1 . HIS 97 97 11030 1 . SER 98 98 11030 1 . GLY 99 99 11030 1 . SER 100 100 11030 1 . ASP 101 101 11030 1 . PHE 102 102 11030 1 . SER 103 103 11030 1 . PHE 104 104 11030 1 . ARG 105 105 11030 1 . PRO 106 106 11030 1 . ILE 107 107 11030 1 . GLU 108 108 11030 1 . GLU 109 109 11030 1 . ALA 110 110 11030 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 11030 _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 $Siz1_1-105 . 39947 organism . 'Oryza sativa subsp. japonica' 'Oryza sativa' . . Eukaryota Viridiplantae Oryza sativa . . . . . . . . . . . . . . . . . . . . . 11030 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 11030 _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 $Siz1_1-105 . 'recombinant technology' 'Escherichia coli' . . 469008 Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET-28b(+) . . . . . . 11030 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_13C_15N_in_10%_D2O _Sample.Sf_category sample _Sample.Sf_framecode 13C_15N_in_10%_D2O _Sample.Entry_ID 11030 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '92% H2O/8% 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 'Siz1 1-105' '[U-13C; U-15N]' . . 1 $Siz1_1-105 . . 0.7 . . mM . . . . 11030 1 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 11030 1 3 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 11030 1 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 11030 1 5 H2O 'natural abundance' . . . . . . 92 . . % . . . . 11030 1 6 D2O . . . . . . . 8 . . % . . . . 11030 1 stop_ save_ save_13C_15N_in_100%_D2O _Sample.Sf_category sample _Sample.Sf_framecode 13C_15N_in_100%_D2O _Sample.Entry_ID 11030 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'Siz1 1-105' '[U-13C; U-15N]' . . 1 $Siz1_1-105 . . 0.7 . . mM . . . . 11030 2 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 11030 2 3 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 11030 2 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 11030 2 5 D2O . . . . . . . 100 . . % . . . . 11030 2 stop_ save_ ####################### # Sample conditions # ####################### save_pH_6.1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode pH_6.1 _Sample_condition_list.Entry_ID 11030 _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 pH 6.1 . pH 11030 1 pressure 1 . atm 11030 1 temperature 283 . K 11030 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 11030 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 11030 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11030 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11030 _Software.ID 2 _Software.Name NMRPipe _Software.Version 'released at Feb 10, 2006' _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 11030 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11030 2 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 11030 _Software.ID 3 _Software.Name TALOS _Software.Version 2003.027.13.05 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 11030 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11030 3 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 11030 _Software.ID 4 _Software.Name SPARKY _Software.Version 3.113 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 11030 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 11030 4 'peak picking' 11030 4 stop_ save_ save_PIPP _Software.Sf_category software _Software.Sf_framecode PIPP _Software.Entry_ID 11030 _Software.ID 5 _Software.Name PIPP _Software.Version 4.3.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Garrett . . 11030 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 11030 5 'peak picking' 11030 5 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11030 _Software.ID 6 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 11030 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11030 6 'structure solution' 11030 6 stop_ save_ save_AQUA _Software.Sf_category software _Software.Sf_framecode AQUA _Software.Entry_ID 11030 _Software.ID 7 _Software.Name AQUA _Software.Version 3.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Rullmann, Doreleijers and Kaptein' . . 11030 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11030 7 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 11030 _Software.ID 8 _Software.Name ProcheckNMR _Software.Version 3.5.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 11030 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11030 8 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 11030 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 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 11030 _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 . 750 . . . 11030 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 11030 _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 $13C_15N_in_10%_D2O isotropic . . 1 $pH_6.1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11030 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $13C_15N_in_10%_D2O isotropic . . 1 $pH_6.1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11030 1 3 '3D HNCO' no . . . . . . . . . . 1 $13C_15N_in_10%_D2O isotropic . . 1 $pH_6.1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11030 1 4 '3D HNCA' no . . . . . . . . . . 1 $13C_15N_in_10%_D2O isotropic . . 1 $pH_6.1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11030 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $13C_15N_in_10%_D2O isotropic . . 1 $pH_6.1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11030 1 6 '3D 13C-edited 1H-15N NOESY' no . . . . . . . . . . 1 $13C_15N_in_10%_D2O isotropic . . 1 $pH_6.1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11030 1 7 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $13C_15N_in_100%_D2O isotropic . . 1 $pH_6.1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11030 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $13C_15N_in_100%_D2O isotropic . . 1 $pH_6.1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11030 1 9 '4D 1H-13C NOESY' no . . . . . . . . . . 2 $13C_15N_in_100%_D2O isotropic . . 1 $pH_6.1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11030 1 10 '3D HCABGCO' no . . . . . . . . . . 2 $13C_15N_in_100%_D2O isotropic . . 1 $pH_6.1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11030 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 11030 _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 TSP 'methyl carbons' . . . . ppm 0.00 external direct 1 . . . . . . . . . 11030 1 H 1 TSP 'methyl protons' . . . . ppm 0.00 external indirect 1 . . . . . . . . . 11030 1 N 15 'ammonium hydroxide' nitrogen . . . . ppm 0.00 external direct 1 . . . . . . . . . 11030 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 11030 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $pH_6.1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $13C_15N_in_10%_D2O isotropic 11030 1 2 '3D 1H-15N NOESY' 1 $13C_15N_in_10%_D2O isotropic 11030 1 3 '3D HNCO' 1 $13C_15N_in_10%_D2O isotropic 11030 1 4 '3D HNCA' 1 $13C_15N_in_10%_D2O isotropic 11030 1 5 '3D CBCA(CO)NH' 1 $13C_15N_in_10%_D2O isotropic 11030 1 6 '3D 13C-edited 1H-15N NOESY' 1 $13C_15N_in_10%_D2O isotropic 11030 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 4 $SPARKY . . 11030 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 GLY CA C 13 42.872 0.400 . 1 . . . . -5 GLY CA . 11030 1 2 . 1 1 1 1 GLY C C 13 169.813 0.400 . 1 . . . . -5 GLY C . 11030 1 3 . 1 1 2 2 SER N N 15 115.528 0.400 . 1 . . . . -4 SER N . 11030 1 4 . 1 1 2 2 SER H H 1 8.751 0.020 . 1 . . . . -4 SER H . 11030 1 5 . 1 1 2 2 SER CA C 13 57.819 0.400 . 1 . . . . -4 SER CA . 11030 1 6 . 1 1 2 2 SER HA H 1 4.461 0.020 . 1 . . . . -4 SER HA . 11030 1 7 . 1 1 2 2 SER CB C 13 63.389 0.400 . 1 . . . . -4 SER CB . 11030 1 8 . 1 1 2 2 SER C C 13 173.924 0.400 . 1 . . . . -4 SER C . 11030 1 9 . 1 1 3 3 HIS N N 15 120.998 0.400 . 1 . . . . -3 HIS N . 11030 1 10 . 1 1 3 3 HIS H H 1 8.769 0.020 . 1 . . . . -3 HIS H . 11030 1 11 . 1 1 3 3 HIS CA C 13 55.238 0.400 . 1 . . . . -3 HIS CA . 11030 1 12 . 1 1 3 3 HIS HA H 1 4.703 0.020 . 1 . . . . -3 HIS HA . 11030 1 13 . 1 1 3 3 HIS CB C 13 28.916 0.400 . 1 . . . . -3 HIS CB . 11030 1 14 . 1 1 3 3 HIS HB2 H 1 3.226 0.020 . 2 . . . . -3 HIS HB2 . 11030 1 15 . 1 1 3 3 HIS HB3 H 1 3.143 0.020 . 2 . . . . -3 HIS HB3 . 11030 1 16 . 1 1 3 3 HIS C C 13 174.207 0.400 . 1 . . . . -3 HIS C . 11030 1 17 . 1 1 4 4 MET N N 15 122.227 0.400 . 1 . . . . -2 MET N . 11030 1 18 . 1 1 4 4 MET H H 1 8.518 0.020 . 1 . . . . -2 MET H . 11030 1 19 . 1 1 4 4 MET CA C 13 55.003 0.400 . 1 . . . . -2 MET CA . 11030 1 20 . 1 1 4 4 MET HA H 1 4.420 0.020 . 1 . . . . -2 MET HA . 11030 1 21 . 1 1 4 4 MET CB C 13 32.578 0.400 . 1 . . . . -2 MET CB . 11030 1 22 . 1 1 4 4 MET HB2 H 1 2.033 0.020 . 2 . . . . -2 MET HB2 . 11030 1 23 . 1 1 4 4 MET HB3 H 1 1.939 0.020 . 2 . . . . -2 MET HB3 . 11030 1 24 . 1 1 4 4 MET CG C 13 31.360 0.400 . 1 . . . . -2 MET CG . 11030 1 25 . 1 1 4 4 MET HG2 H 1 2.546 0.020 . 2 . . . . -2 MET HG2 . 11030 1 26 . 1 1 4 4 MET HG3 H 1 2.490 0.020 . 2 . . . . -2 MET HG3 . 11030 1 27 . 1 1 4 4 MET HE1 H 1 2.052 0.020 . 1 . . . . -2 MET HE . 11030 1 28 . 1 1 4 4 MET HE2 H 1 2.052 0.020 . 1 . . . . -2 MET HE . 11030 1 29 . 1 1 4 4 MET HE3 H 1 2.052 0.020 . 1 . . . . -2 MET HE . 11030 1 30 . 1 1 4 4 MET CE C 13 16.493 0.400 . 1 . . . . -2 MET CE . 11030 1 31 . 1 1 4 4 MET C C 13 175.475 0.400 . 1 . . . . -2 MET C . 11030 1 32 . 1 1 5 5 ALA N N 15 125.936 0.400 . 1 . . . . -1 ALA N . 11030 1 33 . 1 1 5 5 ALA H H 1 8.651 0.020 . 1 . . . . -1 ALA H . 11030 1 34 . 1 1 5 5 ALA CA C 13 52.314 0.400 . 1 . . . . -1 ALA CA . 11030 1 35 . 1 1 5 5 ALA HA H 1 4.310 0.020 . 1 . . . . -1 ALA HA . 11030 1 36 . 1 1 5 5 ALA HB1 H 1 1.420 0.020 . 1 . . . . -1 ALA HB . 11030 1 37 . 1 1 5 5 ALA HB2 H 1 1.420 0.020 . 1 . . . . -1 ALA HB . 11030 1 38 . 1 1 5 5 ALA HB3 H 1 1.420 0.020 . 1 . . . . -1 ALA HB . 11030 1 39 . 1 1 5 5 ALA CB C 13 18.544 0.400 . 1 . . . . -1 ALA CB . 11030 1 40 . 1 1 5 5 ALA C C 13 177.886 0.400 . 1 . . . . -1 ALA C . 11030 1 41 . 1 1 6 6 SER N N 15 115.890 0.400 . 1 . . . . 1 SER N . 11030 1 42 . 1 1 6 6 SER H H 1 8.537 0.020 . 1 . . . . 1 SER H . 11030 1 43 . 1 1 6 6 SER CA C 13 58.928 0.400 . 1 . . . . 1 SER CA . 11030 1 44 . 1 1 6 6 SER HA H 1 4.313 0.020 . 1 . . . . 1 SER HA . 11030 1 45 . 1 1 6 6 SER CB C 13 62.863 0.400 . 1 . . . . 1 SER CB . 11030 1 46 . 1 1 6 6 SER HB2 H 1 3.913 0.020 . 2 . . . . 1 SER HB2 . 11030 1 47 . 1 1 6 6 SER HB3 H 1 3.874 0.020 . 2 . . . . 1 SER HB3 . 11030 1 48 . 1 1 6 6 SER C C 13 174.553 0.400 . 1 . . . . 1 SER C . 11030 1 49 . 1 1 7 7 ALA N N 15 124.543 0.400 . 1 . . . . 2 ALA N . 11030 1 50 . 1 1 7 7 ALA H H 1 8.453 0.020 . 1 . . . . 2 ALA H . 11030 1 51 . 1 1 7 7 ALA CA C 13 53.203 0.400 . 1 . . . . 2 ALA CA . 11030 1 52 . 1 1 7 7 ALA HA H 1 4.211 0.020 . 1 . . . . 2 ALA HA . 11030 1 53 . 1 1 7 7 ALA HB1 H 1 1.390 0.020 . 1 . . . . 2 ALA HB . 11030 1 54 . 1 1 7 7 ALA HB2 H 1 1.390 0.020 . 1 . . . . 2 ALA HB . 11030 1 55 . 1 1 7 7 ALA HB3 H 1 1.390 0.020 . 1 . . . . 2 ALA HB . 11030 1 56 . 1 1 7 7 ALA CB C 13 18.387 0.400 . 1 . . . . 2 ALA CB . 11030 1 57 . 1 1 7 7 ALA C C 13 178.091 0.400 . 1 . . . . 2 ALA C . 11030 1 58 . 1 1 8 8 ASP N N 15 118.618 0.400 . 1 . . . . 3 ASP N . 11030 1 59 . 1 1 8 8 ASP H H 1 8.064 0.020 . 1 . . . . 3 ASP H . 11030 1 60 . 1 1 8 8 ASP CA C 13 54.381 0.400 . 1 . . . . 3 ASP CA . 11030 1 61 . 1 1 8 8 ASP HA H 1 4.551 0.020 . 1 . . . . 3 ASP HA . 11030 1 62 . 1 1 8 8 ASP CB C 13 40.446 0.400 . 1 . . . . 3 ASP CB . 11030 1 63 . 1 1 8 8 ASP HB2 H 1 2.733 0.020 . 2 . . . . 3 ASP HB2 . 11030 1 64 . 1 1 8 8 ASP HB3 H 1 2.733 0.020 . 2 . . . . 3 ASP HB3 . 11030 1 65 . 1 1 8 8 ASP C C 13 176.662 0.400 . 1 . . . . 3 ASP C . 11030 1 66 . 1 1 9 9 LEU N N 15 123.427 0.400 . 1 . . . . 4 LEU N . 11030 1 67 . 1 1 9 9 LEU H H 1 8.202 0.020 . 1 . . . . 4 LEU H . 11030 1 68 . 1 1 9 9 LEU CA C 13 57.491 0.400 . 1 . . . . 4 LEU CA . 11030 1 69 . 1 1 9 9 LEU HA H 1 4.084 0.020 . 1 . . . . 4 LEU HA . 11030 1 70 . 1 1 9 9 LEU CB C 13 41.745 0.400 . 1 . . . . 4 LEU CB . 11030 1 71 . 1 1 9 9 LEU HB2 H 1 1.621 0.020 . 2 . . . . 4 LEU HB2 . 11030 1 72 . 1 1 9 9 LEU HB3 H 1 1.763 0.020 . 2 . . . . 4 LEU HB3 . 11030 1 73 . 1 1 9 9 LEU HD11 H 1 0.845 0.020 . 2 . . . . 4 LEU HD1 . 11030 1 74 . 1 1 9 9 LEU HD12 H 1 0.845 0.020 . 2 . . . . 4 LEU HD1 . 11030 1 75 . 1 1 9 9 LEU HD13 H 1 0.845 0.020 . 2 . . . . 4 LEU HD1 . 11030 1 76 . 1 1 9 9 LEU HD21 H 1 0.812 0.020 . 2 . . . . 4 LEU HD2 . 11030 1 77 . 1 1 9 9 LEU HD22 H 1 0.812 0.020 . 2 . . . . 4 LEU HD2 . 11030 1 78 . 1 1 9 9 LEU HD23 H 1 0.812 0.020 . 2 . . . . 4 LEU HD2 . 11030 1 79 . 1 1 9 9 LEU CD1 C 13 24.288 0.400 . 1 . . . . 4 LEU CD1 . 11030 1 80 . 1 1 9 9 LEU C C 13 178.873 0.400 . 1 . . . . 4 LEU C . 11030 1 81 . 1 1 10 10 VAL N N 15 119.385 0.400 . 1 . . . . 5 VAL N . 11030 1 82 . 1 1 10 10 VAL H H 1 8.186 0.020 . 1 . . . . 5 VAL H . 11030 1 83 . 1 1 10 10 VAL CA C 13 66.686 0.400 . 1 . . . . 5 VAL CA . 11030 1 84 . 1 1 10 10 VAL HA H 1 3.435 0.020 . 1 . . . . 5 VAL HA . 11030 1 85 . 1 1 10 10 VAL CB C 13 31.135 0.400 . 1 . . . . 5 VAL CB . 11030 1 86 . 1 1 10 10 VAL HB H 1 2.128 0.020 . 1 . . . . 5 VAL HB . 11030 1 87 . 1 1 10 10 VAL HG11 H 1 0.885 0.020 . 2 . . . . 5 VAL HG1 . 11030 1 88 . 1 1 10 10 VAL HG12 H 1 0.885 0.020 . 2 . . . . 5 VAL HG1 . 11030 1 89 . 1 1 10 10 VAL HG13 H 1 0.885 0.020 . 2 . . . . 5 VAL HG1 . 11030 1 90 . 1 1 10 10 VAL HG21 H 1 0.971 0.020 . 2 . . . . 5 VAL HG2 . 11030 1 91 . 1 1 10 10 VAL HG22 H 1 0.971 0.020 . 2 . . . . 5 VAL HG2 . 11030 1 92 . 1 1 10 10 VAL HG23 H 1 0.971 0.020 . 2 . . . . 5 VAL HG2 . 11030 1 93 . 1 1 10 10 VAL CG1 C 13 20.919 0.400 . 1 . . . . 5 VAL CG1 . 11030 1 94 . 1 1 10 10 VAL CG2 C 13 22.710 0.400 . 1 . . . . 5 VAL CG2 . 11030 1 95 . 1 1 10 10 VAL C C 13 177.408 0.400 . 1 . . . . 5 VAL C . 11030 1 96 . 1 1 11 11 SER N N 15 115.027 0.400 . 1 . . . . 6 SER N . 11030 1 97 . 1 1 11 11 SER H H 1 8.252 0.020 . 1 . . . . 6 SER H . 11030 1 98 . 1 1 11 11 SER CA C 13 61.229 0.400 . 1 . . . . 6 SER CA . 11030 1 99 . 1 1 11 11 SER HA H 1 4.068 0.020 . 1 . . . . 6 SER HA . 11030 1 100 . 1 1 11 11 SER CB C 13 62.054 0.400 . 1 . . . . 6 SER CB . 11030 1 101 . 1 1 11 11 SER HB2 H 1 3.901 0.020 . 2 . . . . 6 SER HB2 . 11030 1 102 . 1 1 11 11 SER HB3 H 1 3.901 0.020 . 2 . . . . 6 SER HB3 . 11030 1 103 . 1 1 11 11 SER C C 13 176.036 0.400 . 1 . . . . 6 SER C . 11030 1 104 . 1 1 12 12 SER N N 15 115.144 0.400 . 1 . . . . 7 SER N . 11030 1 105 . 1 1 12 12 SER H H 1 8.053 0.020 . 1 . . . . 7 SER H . 11030 1 106 . 1 1 12 12 SER CA C 13 60.212 0.400 . 1 . . . . 7 SER CA . 11030 1 107 . 1 1 12 12 SER HA H 1 4.309 0.020 . 1 . . . . 7 SER HA . 11030 1 108 . 1 1 12 12 SER CB C 13 62.720 0.400 . 1 . . . . 7 SER CB . 11030 1 109 . 1 1 12 12 SER HB2 H 1 3.939 0.020 . 2 . . . . 7 SER HB2 . 11030 1 110 . 1 1 12 12 SER HB3 H 1 3.939 0.020 . 2 . . . . 7 SER HB3 . 11030 1 111 . 1 1 12 12 SER C C 13 176.540 0.400 . 1 . . . . 7 SER C . 11030 1 112 . 1 1 13 13 CYS N N 15 118.211 0.400 . 1 . . . . 8 CYS N . 11030 1 113 . 1 1 13 13 CYS H H 1 7.919 0.020 . 1 . . . . 8 CYS H . 11030 1 114 . 1 1 13 13 CYS CA C 13 63.729 0.400 . 1 . . . . 8 CYS CA . 11030 1 115 . 1 1 13 13 CYS HA H 1 4.046 0.020 . 1 . . . . 8 CYS HA . 11030 1 116 . 1 1 13 13 CYS CB C 13 26.703 0.400 . 1 . . . . 8 CYS CB . 11030 1 117 . 1 1 13 13 CYS HB2 H 1 3.055 0.020 . 2 . . . . 8 CYS HB2 . 11030 1 118 . 1 1 13 13 CYS HB3 H 1 2.440 0.020 . 2 . . . . 8 CYS HB3 . 11030 1 119 . 1 1 13 13 CYS C C 13 175.645 0.400 . 1 . . . . 8 CYS C . 11030 1 120 . 1 1 14 14 LYS N N 15 120.074 0.400 . 1 . . . . 9 LYS N . 11030 1 121 . 1 1 14 14 LYS H H 1 8.632 0.020 . 1 . . . . 9 LYS H . 11030 1 122 . 1 1 14 14 LYS CA C 13 60.438 0.400 . 1 . . . . 9 LYS CA . 11030 1 123 . 1 1 14 14 LYS HA H 1 3.668 0.020 . 1 . . . . 9 LYS HA . 11030 1 124 . 1 1 14 14 LYS CB C 13 31.655 0.400 . 1 . . . . 9 LYS CB . 11030 1 125 . 1 1 14 14 LYS HB2 H 1 1.836 0.020 . 2 . . . . 9 LYS HB2 . 11030 1 126 . 1 1 14 14 LYS HB3 H 1 1.901 0.020 . 2 . . . . 9 LYS HB3 . 11030 1 127 . 1 1 14 14 LYS CG C 13 24.868 0.400 . 1 . . . . 9 LYS CG . 11030 1 128 . 1 1 14 14 LYS HG2 H 1 1.430 0.020 . 2 . . . . 9 LYS HG2 . 11030 1 129 . 1 1 14 14 LYS HG3 H 1 1.341 0.020 . 2 . . . . 9 LYS HG3 . 11030 1 130 . 1 1 14 14 LYS CD C 13 29.099 0.400 . 1 . . . . 9 LYS CD . 11030 1 131 . 1 1 14 14 LYS HD2 H 1 1.639 0.020 . 2 . . . . 9 LYS HD2 . 11030 1 132 . 1 1 14 14 LYS HD3 H 1 1.606 0.020 . 2 . . . . 9 LYS HD3 . 11030 1 133 . 1 1 14 14 LYS CE C 13 41.546 0.400 . 1 . . . . 9 LYS CE . 11030 1 134 . 1 1 14 14 LYS HE2 H 1 2.868 0.020 . 2 . . . . 9 LYS HE2 . 11030 1 135 . 1 1 14 14 LYS HE3 H 1 2.845 0.020 . 2 . . . . 9 LYS HE3 . 11030 1 136 . 1 1 14 14 LYS C C 13 177.590 0.400 . 1 . . . . 9 LYS C . 11030 1 137 . 1 1 15 15 ASP N N 15 117.611 0.400 . 1 . . . . 10 ASP N . 11030 1 138 . 1 1 15 15 ASP H H 1 7.732 0.020 . 1 . . . . 10 ASP H . 11030 1 139 . 1 1 15 15 ASP CA C 13 56.325 0.400 . 1 . . . . 10 ASP CA . 11030 1 140 . 1 1 15 15 ASP HA H 1 4.320 0.020 . 1 . . . . 10 ASP HA . 11030 1 141 . 1 1 15 15 ASP CB C 13 40.092 0.400 . 1 . . . . 10 ASP CB . 11030 1 142 . 1 1 15 15 ASP HB2 H 1 2.620 0.020 . 2 . . . . 10 ASP HB2 . 11030 1 143 . 1 1 15 15 ASP HB3 H 1 2.668 0.020 . 2 . . . . 10 ASP HB3 . 11030 1 144 . 1 1 15 15 ASP C C 13 177.731 0.400 . 1 . . . . 10 ASP C . 11030 1 145 . 1 1 16 16 LYS N N 15 117.878 0.400 . 1 . . . . 11 LYS N . 11030 1 146 . 1 1 16 16 LYS H H 1 7.254 0.020 . 1 . . . . 11 LYS H . 11030 1 147 . 1 1 16 16 LYS CA C 13 58.984 0.400 . 1 . . . . 11 LYS CA . 11030 1 148 . 1 1 16 16 LYS HA H 1 3.662 0.020 . 1 . . . . 11 LYS HA . 11030 1 149 . 1 1 16 16 LYS CB C 13 32.933 0.400 . 1 . . . . 11 LYS CB . 11030 1 150 . 1 1 16 16 LYS HB2 H 1 1.208 0.020 . 2 . . . . 11 LYS HB2 . 11030 1 151 . 1 1 16 16 LYS HB3 H 1 1.208 0.020 . 2 . . . . 11 LYS HB3 . 11030 1 152 . 1 1 16 16 LYS CG C 13 25.344 0.400 . 1 . . . . 11 LYS CG . 11030 1 153 . 1 1 16 16 LYS HG2 H 1 -0.054 0.020 . 2 . . . . 11 LYS HG2 . 11030 1 154 . 1 1 16 16 LYS HG3 H 1 -0.083 0.020 . 2 . . . . 11 LYS HG3 . 11030 1 155 . 1 1 16 16 LYS CE C 13 41.750 0.400 . 1 . . . . 11 LYS CE . 11030 1 156 . 1 1 16 16 LYS HE2 H 1 2.494 0.020 . 2 . . . . 11 LYS HE2 . 11030 1 157 . 1 1 16 16 LYS HE3 H 1 2.494 0.020 . 2 . . . . 11 LYS HE3 . 11030 1 158 . 1 1 16 16 LYS C C 13 177.350 0.400 . 1 . . . . 11 LYS C . 11030 1 159 . 1 1 17 17 LEU N N 15 115.652 0.400 . 1 . . . . 12 LEU N . 11030 1 160 . 1 1 17 17 LEU H H 1 8.138 0.020 . 1 . . . . 12 LEU H . 11030 1 161 . 1 1 17 17 LEU CA C 13 56.722 0.400 . 1 . . . . 12 LEU CA . 11030 1 162 . 1 1 17 17 LEU HA H 1 3.588 0.020 . 1 . . . . 12 LEU HA . 11030 1 163 . 1 1 17 17 LEU CB C 13 41.870 0.400 . 1 . . . . 12 LEU CB . 11030 1 164 . 1 1 17 17 LEU HB2 H 1 1.735 0.020 . 2 . . . . 12 LEU HB2 . 11030 1 165 . 1 1 17 17 LEU HB3 H 1 1.798 0.020 . 2 . . . . 12 LEU HB3 . 11030 1 166 . 1 1 17 17 LEU HD11 H 1 0.747 0.020 . 2 . . . . 12 LEU HD1 . 11030 1 167 . 1 1 17 17 LEU HD12 H 1 0.747 0.020 . 2 . . . . 12 LEU HD1 . 11030 1 168 . 1 1 17 17 LEU HD13 H 1 0.747 0.020 . 2 . . . . 12 LEU HD1 . 11030 1 169 . 1 1 17 17 LEU HD21 H 1 0.700 0.020 . 2 . . . . 12 LEU HD2 . 11030 1 170 . 1 1 17 17 LEU HD22 H 1 0.700 0.020 . 2 . . . . 12 LEU HD2 . 11030 1 171 . 1 1 17 17 LEU HD23 H 1 0.700 0.020 . 2 . . . . 12 LEU HD2 . 11030 1 172 . 1 1 17 17 LEU CD1 C 13 26.073 0.400 . 1 . . . . 12 LEU CD1 . 11030 1 173 . 1 1 17 17 LEU CD2 C 13 23.648 0.400 . 1 . . . . 12 LEU CD2 . 11030 1 174 . 1 1 17 17 LEU C C 13 177.545 0.400 . 1 . . . . 12 LEU C . 11030 1 175 . 1 1 18 18 ALA N N 15 116.045 0.400 . 1 . . . . 13 ALA N . 11030 1 176 . 1 1 18 18 ALA H H 1 7.080 0.020 . 1 . . . . 13 ALA H . 11030 1 177 . 1 1 18 18 ALA CA C 13 53.475 0.400 . 1 . . . . 13 ALA CA . 11030 1 178 . 1 1 18 18 ALA HA H 1 3.984 0.020 . 1 . . . . 13 ALA HA . 11030 1 179 . 1 1 18 18 ALA HB1 H 1 1.299 0.020 . 1 . . . . 13 ALA HB . 11030 1 180 . 1 1 18 18 ALA HB2 H 1 1.299 0.020 . 1 . . . . 13 ALA HB . 11030 1 181 . 1 1 18 18 ALA HB3 H 1 1.299 0.020 . 1 . . . . 13 ALA HB . 11030 1 182 . 1 1 18 18 ALA CB C 13 18.121 0.400 . 1 . . . . 13 ALA CB . 11030 1 183 . 1 1 18 18 ALA C C 13 178.298 0.400 . 1 . . . . 13 ALA C . 11030 1 184 . 1 1 19 19 TYR N N 15 115.556 0.400 . 1 . . . . 14 TYR N . 11030 1 185 . 1 1 19 19 TYR H H 1 7.675 0.020 . 1 . . . . 14 TYR H . 11030 1 186 . 1 1 19 19 TYR CA C 13 58.741 0.400 . 1 . . . . 14 TYR CA . 11030 1 187 . 1 1 19 19 TYR HA H 1 4.323 0.020 . 1 . . . . 14 TYR HA . 11030 1 188 . 1 1 19 19 TYR CB C 13 38.610 0.400 . 1 . . . . 14 TYR CB . 11030 1 189 . 1 1 19 19 TYR HB2 H 1 3.261 0.020 . 2 . . . . 14 TYR HB2 . 11030 1 190 . 1 1 19 19 TYR HB3 H 1 3.073 0.020 . 2 . . . . 14 TYR HB3 . 11030 1 191 . 1 1 19 19 TYR CD1 C 13 133.075 0.400 . 1 . . . . 14 TYR CD1 . 11030 1 192 . 1 1 19 19 TYR CE1 C 13 118.050 0.400 . 1 . . . . 14 TYR CE1 . 11030 1 193 . 1 1 19 19 TYR C C 13 176.007 0.400 . 1 . . . . 14 TYR C . 11030 1 194 . 1 1 20 20 PHE N N 15 118.275 0.400 . 1 . . . . 15 PHE N . 11030 1 195 . 1 1 20 20 PHE H H 1 7.406 0.020 . 1 . . . . 15 PHE H . 11030 1 196 . 1 1 20 20 PHE CA C 13 56.542 0.400 . 1 . . . . 15 PHE CA . 11030 1 197 . 1 1 20 20 PHE HA H 1 4.652 0.020 . 1 . . . . 15 PHE HA . 11030 1 198 . 1 1 20 20 PHE CB C 13 38.561 0.400 . 1 . . . . 15 PHE CB . 11030 1 199 . 1 1 20 20 PHE HB2 H 1 3.287 0.020 . 2 . . . . 15 PHE HB2 . 11030 1 200 . 1 1 20 20 PHE HB3 H 1 3.558 0.020 . 2 . . . . 15 PHE HB3 . 11030 1 201 . 1 1 20 20 PHE CD1 C 13 130.714 0.400 . 1 . . . . 15 PHE CD1 . 11030 1 202 . 1 1 20 20 PHE C C 13 176.160 0.400 . 1 . . . . 15 PHE C . 11030 1 203 . 1 1 21 21 ARG N N 15 119.140 0.400 . 1 . . . . 16 ARG N . 11030 1 204 . 1 1 21 21 ARG H H 1 8.714 0.020 . 1 . . . . 16 ARG H . 11030 1 205 . 1 1 21 21 ARG CA C 13 54.474 0.400 . 1 . . . . 16 ARG CA . 11030 1 206 . 1 1 21 21 ARG HA H 1 4.747 0.020 . 1 . . . . 16 ARG HA . 11030 1 207 . 1 1 21 21 ARG CB C 13 30.097 0.400 . 1 . . . . 16 ARG CB . 11030 1 208 . 1 1 21 21 ARG HB2 H 1 2.299 0.020 . 2 . . . . 16 ARG HB2 . 11030 1 209 . 1 1 21 21 ARG HB3 H 1 2.228 0.020 . 2 . . . . 16 ARG HB3 . 11030 1 210 . 1 1 21 21 ARG CG C 13 27.411 0.400 . 1 . . . . 16 ARG CG . 11030 1 211 . 1 1 21 21 ARG HG2 H 1 1.915 0.020 . 2 . . . . 16 ARG HG2 . 11030 1 212 . 1 1 21 21 ARG HG3 H 1 1.915 0.020 . 2 . . . . 16 ARG HG3 . 11030 1 213 . 1 1 21 21 ARG CD C 13 42.589 0.400 . 1 . . . . 16 ARG CD . 11030 1 214 . 1 1 21 21 ARG HD2 H 1 3.423 0.020 . 2 . . . . 16 ARG HD2 . 11030 1 215 . 1 1 21 21 ARG HD3 H 1 3.291 0.020 . 2 . . . . 16 ARG HD3 . 11030 1 216 . 1 1 21 21 ARG NE N 15 84.463 0.400 . 1 . . . . 16 ARG NE . 11030 1 217 . 1 1 21 21 ARG HE H 1 8.185 0.020 . 1 . . . . 16 ARG HE . 11030 1 218 . 1 1 21 21 ARG CZ C 13 159.351 0.400 . 1 . . . . 16 ARG CZ . 11030 1 219 . 1 1 21 21 ARG HH11 H 1 7.203 0.020 . 2 . . . . 16 ARG HH11 . 11030 1 220 . 1 1 21 21 ARG HH12 H 1 7.203 0.020 . 2 . . . . 16 ARG HH12 . 11030 1 221 . 1 1 21 21 ARG HH21 H 1 6.894 0.020 . 2 . . . . 16 ARG HH21 . 11030 1 222 . 1 1 21 21 ARG HH22 H 1 6.894 0.020 . 2 . . . . 16 ARG HH22 . 11030 1 223 . 1 1 21 21 ARG C C 13 177.095 0.400 . 1 . . . . 16 ARG C . 11030 1 224 . 1 1 22 22 ILE N N 15 120.734 0.400 . 1 . . . . 17 ILE N . 11030 1 225 . 1 1 22 22 ILE H H 1 8.708 0.020 . 1 . . . . 17 ILE H . 11030 1 226 . 1 1 22 22 ILE CA C 13 65.114 0.400 . 1 . . . . 17 ILE CA . 11030 1 227 . 1 1 22 22 ILE HA H 1 3.740 0.020 . 1 . . . . 17 ILE HA . 11030 1 228 . 1 1 22 22 ILE CB C 13 36.768 0.400 . 1 . . . . 17 ILE CB . 11030 1 229 . 1 1 22 22 ILE HB H 1 1.967 0.020 . 1 . . . . 17 ILE HB . 11030 1 230 . 1 1 22 22 ILE HG21 H 1 0.969 0.020 . 1 . . . . 17 ILE HG2 . 11030 1 231 . 1 1 22 22 ILE HG22 H 1 0.969 0.020 . 1 . . . . 17 ILE HG2 . 11030 1 232 . 1 1 22 22 ILE HG23 H 1 0.969 0.020 . 1 . . . . 17 ILE HG2 . 11030 1 233 . 1 1 22 22 ILE CG2 C 13 17.172 0.400 . 1 . . . . 17 ILE CG2 . 11030 1 234 . 1 1 22 22 ILE CG1 C 13 29.005 0.400 . 1 . . . . 17 ILE CG1 . 11030 1 235 . 1 1 22 22 ILE HG12 H 1 1.708 0.020 . 2 . . . . 17 ILE HG12 . 11030 1 236 . 1 1 22 22 ILE HG13 H 1 1.308 0.020 . 2 . . . . 17 ILE HG13 . 11030 1 237 . 1 1 22 22 ILE HD11 H 1 0.968 0.020 . 1 . . . . 17 ILE HD1 . 11030 1 238 . 1 1 22 22 ILE HD12 H 1 0.968 0.020 . 1 . . . . 17 ILE HD1 . 11030 1 239 . 1 1 22 22 ILE HD13 H 1 0.968 0.020 . 1 . . . . 17 ILE HD1 . 11030 1 240 . 1 1 22 22 ILE CD1 C 13 11.952 0.400 . 1 . . . . 17 ILE CD1 . 11030 1 241 . 1 1 22 22 ILE C C 13 176.639 0.400 . 1 . . . . 17 ILE C . 11030 1 242 . 1 1 23 23 LYS N N 15 118.184 0.400 . 1 . . . . 18 LYS N . 11030 1 243 . 1 1 23 23 LYS H H 1 8.267 0.020 . 1 . . . . 18 LYS H . 11030 1 244 . 1 1 23 23 LYS CA C 13 59.978 0.400 . 1 . . . . 18 LYS CA . 11030 1 245 . 1 1 23 23 LYS HA H 1 3.909 0.020 . 1 . . . . 18 LYS HA . 11030 1 246 . 1 1 23 23 LYS CB C 13 32.191 0.400 . 1 . . . . 18 LYS CB . 11030 1 247 . 1 1 23 23 LYS HB2 H 1 1.956 0.020 . 2 . . . . 18 LYS HB2 . 11030 1 248 . 1 1 23 23 LYS HB3 H 1 1.956 0.020 . 2 . . . . 18 LYS HB3 . 11030 1 249 . 1 1 23 23 LYS CG C 13 24.110 0.400 . 1 . . . . 18 LYS CG . 11030 1 250 . 1 1 23 23 LYS HG2 H 1 1.430 0.020 . 2 . . . . 18 LYS HG2 . 11030 1 251 . 1 1 23 23 LYS HG3 H 1 1.430 0.020 . 2 . . . . 18 LYS HG3 . 11030 1 252 . 1 1 23 23 LYS CD C 13 28.715 0.400 . 1 . . . . 18 LYS CD . 11030 1 253 . 1 1 23 23 LYS HD2 H 1 1.595 0.020 . 2 . . . . 18 LYS HD2 . 11030 1 254 . 1 1 23 23 LYS HD3 H 1 1.595 0.020 . 2 . . . . 18 LYS HD3 . 11030 1 255 . 1 1 23 23 LYS CE C 13 41.565 0.400 . 1 . . . . 18 LYS CE . 11030 1 256 . 1 1 23 23 LYS HE2 H 1 2.960 0.020 . 2 . . . . 18 LYS HE2 . 11030 1 257 . 1 1 23 23 LYS HE3 H 1 2.960 0.020 . 2 . . . . 18 LYS HE3 . 11030 1 258 . 1 1 23 23 LYS C C 13 178.185 0.400 . 1 . . . . 18 LYS C . 11030 1 259 . 1 1 24 24 GLU N N 15 117.651 0.400 . 1 . . . . 19 GLU N . 11030 1 260 . 1 1 24 24 GLU H H 1 7.198 0.020 . 1 . . . . 19 GLU H . 11030 1 261 . 1 1 24 24 GLU CA C 13 60.601 0.400 . 1 . . . . 19 GLU CA . 11030 1 262 . 1 1 24 24 GLU HA H 1 4.056 0.020 . 1 . . . . 19 GLU HA . 11030 1 263 . 1 1 24 24 GLU CB C 13 28.859 0.400 . 1 . . . . 19 GLU CB . 11030 1 264 . 1 1 24 24 GLU HB2 H 1 2.056 0.020 . 2 . . . . 19 GLU HB2 . 11030 1 265 . 1 1 24 24 GLU HB3 H 1 2.056 0.020 . 2 . . . . 19 GLU HB3 . 11030 1 266 . 1 1 24 24 GLU CG C 13 37.861 0.400 . 1 . . . . 19 GLU CG . 11030 1 267 . 1 1 24 24 GLU HG2 H 1 2.490 0.020 . 2 . . . . 19 GLU HG2 . 11030 1 268 . 1 1 24 24 GLU HG3 H 1 2.490 0.020 . 2 . . . . 19 GLU HG3 . 11030 1 269 . 1 1 24 24 GLU C C 13 178.542 0.400 . 1 . . . . 19 GLU C . 11030 1 270 . 1 1 25 25 LEU N N 15 119.236 0.400 . 1 . . . . 20 LEU N . 11030 1 271 . 1 1 25 25 LEU H H 1 7.980 0.020 . 1 . . . . 20 LEU H . 11030 1 272 . 1 1 25 25 LEU CA C 13 57.812 0.400 . 1 . . . . 20 LEU CA . 11030 1 273 . 1 1 25 25 LEU HA H 1 3.947 0.020 . 1 . . . . 20 LEU HA . 11030 1 274 . 1 1 25 25 LEU CB C 13 42.172 0.400 . 1 . . . . 20 LEU CB . 11030 1 275 . 1 1 25 25 LEU HD11 H 1 0.874 0.020 . 2 . . . . 20 LEU HD1 . 11030 1 276 . 1 1 25 25 LEU HD12 H 1 0.874 0.020 . 2 . . . . 20 LEU HD1 . 11030 1 277 . 1 1 25 25 LEU HD13 H 1 0.874 0.020 . 2 . . . . 20 LEU HD1 . 11030 1 278 . 1 1 25 25 LEU HD21 H 1 0.874 0.020 . 2 . . . . 20 LEU HD2 . 11030 1 279 . 1 1 25 25 LEU HD22 H 1 0.874 0.020 . 2 . . . . 20 LEU HD2 . 11030 1 280 . 1 1 25 25 LEU HD23 H 1 0.874 0.020 . 2 . . . . 20 LEU HD2 . 11030 1 281 . 1 1 25 25 LEU C C 13 178.081 0.400 . 1 . . . . 20 LEU C . 11030 1 282 . 1 1 26 26 LYS N N 15 117.457 0.400 . 1 . . . . 21 LYS N . 11030 1 283 . 1 1 26 26 LYS H H 1 8.770 0.020 . 1 . . . . 21 LYS H . 11030 1 284 . 1 1 26 26 LYS CA C 13 60.741 0.400 . 1 . . . . 21 LYS CA . 11030 1 285 . 1 1 26 26 LYS HA H 1 3.806 0.020 . 1 . . . . 21 LYS HA . 11030 1 286 . 1 1 26 26 LYS CB C 13 31.876 0.400 . 1 . . . . 21 LYS CB . 11030 1 287 . 1 1 26 26 LYS C C 13 177.659 0.400 . 1 . . . . 21 LYS C . 11030 1 288 . 1 1 27 27 ASP N N 15 119.023 0.400 . 1 . . . . 22 ASP N . 11030 1 289 . 1 1 27 27 ASP H H 1 7.671 0.020 . 1 . . . . 22 ASP H . 11030 1 290 . 1 1 27 27 ASP CA C 13 56.971 0.400 . 1 . . . . 22 ASP CA . 11030 1 291 . 1 1 27 27 ASP HA H 1 4.409 0.020 . 1 . . . . 22 ASP HA . 11030 1 292 . 1 1 27 27 ASP CB C 13 40.196 0.400 . 1 . . . . 22 ASP CB . 11030 1 293 . 1 1 27 27 ASP HB2 H 1 2.843 0.020 . 2 . . . . 22 ASP HB2 . 11030 1 294 . 1 1 27 27 ASP HB3 H 1 2.843 0.020 . 2 . . . . 22 ASP HB3 . 11030 1 295 . 1 1 27 27 ASP C C 13 180.796 0.400 . 1 . . . . 22 ASP C . 11030 1 296 . 1 1 28 28 ILE N N 15 119.318 0.400 . 1 . . . . 23 ILE N . 11030 1 297 . 1 1 28 28 ILE H H 1 8.039 0.020 . 1 . . . . 23 ILE H . 11030 1 298 . 1 1 28 28 ILE CA C 13 65.328 0.400 . 1 . . . . 23 ILE CA . 11030 1 299 . 1 1 28 28 ILE HA H 1 3.601 0.020 . 1 . . . . 23 ILE HA . 11030 1 300 . 1 1 28 28 ILE CB C 13 37.309 0.400 . 1 . . . . 23 ILE CB . 11030 1 301 . 1 1 28 28 ILE HB H 1 1.938 0.020 . 1 . . . . 23 ILE HB . 11030 1 302 . 1 1 28 28 ILE HG21 H 1 0.883 0.020 . 1 . . . . 23 ILE HG2 . 11030 1 303 . 1 1 28 28 ILE HG22 H 1 0.883 0.020 . 1 . . . . 23 ILE HG2 . 11030 1 304 . 1 1 28 28 ILE HG23 H 1 0.883 0.020 . 1 . . . . 23 ILE HG2 . 11030 1 305 . 1 1 28 28 ILE CG2 C 13 17.108 0.400 . 1 . . . . 23 ILE CG2 . 11030 1 306 . 1 1 28 28 ILE CG1 C 13 28.366 0.400 . 1 . . . . 23 ILE CG1 . 11030 1 307 . 1 1 28 28 ILE HG12 H 1 1.773 0.020 . 2 . . . . 23 ILE HG12 . 11030 1 308 . 1 1 28 28 ILE HG13 H 1 1.082 0.020 . 2 . . . . 23 ILE HG13 . 11030 1 309 . 1 1 28 28 ILE HD11 H 1 0.713 0.020 . 1 . . . . 23 ILE HD1 . 11030 1 310 . 1 1 28 28 ILE HD12 H 1 0.713 0.020 . 1 . . . . 23 ILE HD1 . 11030 1 311 . 1 1 28 28 ILE HD13 H 1 0.713 0.020 . 1 . . . . 23 ILE HD1 . 11030 1 312 . 1 1 28 28 ILE CD1 C 13 15.132 0.400 . 1 . . . . 23 ILE CD1 . 11030 1 313 . 1 1 28 28 ILE C C 13 177.251 0.400 . 1 . . . . 23 ILE C . 11030 1 314 . 1 1 29 29 LEU N N 15 120.356 0.400 . 1 . . . . 24 LEU N . 11030 1 315 . 1 1 29 29 LEU H H 1 8.220 0.020 . 1 . . . . 24 LEU H . 11030 1 316 . 1 1 29 29 LEU CA C 13 58.535 0.400 . 1 . . . . 24 LEU CA . 11030 1 317 . 1 1 29 29 LEU HA H 1 3.824 0.020 . 1 . . . . 24 LEU HA . 11030 1 318 . 1 1 29 29 LEU CB C 13 39.478 0.400 . 1 . . . . 24 LEU CB . 11030 1 319 . 1 1 29 29 LEU HD11 H 1 1.773 0.020 . 2 . . . . 24 LEU HD1 . 11030 1 320 . 1 1 29 29 LEU HD12 H 1 1.773 0.020 . 2 . . . . 24 LEU HD1 . 11030 1 321 . 1 1 29 29 LEU HD13 H 1 1.773 0.020 . 2 . . . . 24 LEU HD1 . 11030 1 322 . 1 1 29 29 LEU HD21 H 1 1.741 0.020 . 2 . . . . 24 LEU HD2 . 11030 1 323 . 1 1 29 29 LEU HD22 H 1 1.741 0.020 . 2 . . . . 24 LEU HD2 . 11030 1 324 . 1 1 29 29 LEU HD23 H 1 1.741 0.020 . 2 . . . . 24 LEU HD2 . 11030 1 325 . 1 1 29 29 LEU CD1 C 13 23.979 0.400 . 1 . . . . 24 LEU CD1 . 11030 1 326 . 1 1 29 29 LEU C C 13 178.599 0.400 . 1 . . . . 24 LEU C . 11030 1 327 . 1 1 30 30 ASN N N 15 117.446 0.400 . 1 . . . . 25 ASN N . 11030 1 328 . 1 1 30 30 ASN H H 1 8.687 0.020 . 1 . . . . 25 ASN H . 11030 1 329 . 1 1 30 30 ASN CA C 13 56.241 0.400 . 1 . . . . 25 ASN CA . 11030 1 330 . 1 1 30 30 ASN HA H 1 4.520 0.020 . 1 . . . . 25 ASN HA . 11030 1 331 . 1 1 30 30 ASN CB C 13 38.899 0.400 . 1 . . . . 25 ASN CB . 11030 1 332 . 1 1 30 30 ASN HB2 H 1 2.924 0.020 . 2 . . . . 25 ASN HB2 . 11030 1 333 . 1 1 30 30 ASN HB3 H 1 3.089 0.020 . 2 . . . . 25 ASN HB3 . 11030 1 334 . 1 1 30 30 ASN CG C 13 175.776 0.400 . 1 . . . . 25 ASN CG . 11030 1 335 . 1 1 30 30 ASN ND2 N 15 114.907 0.400 . 1 . . . . 25 ASN ND2 . 11030 1 336 . 1 1 30 30 ASN HD21 H 1 7.934 0.020 . 2 . . . . 25 ASN HD21 . 11030 1 337 . 1 1 30 30 ASN HD22 H 1 7.051 0.020 . 2 . . . . 25 ASN HD22 . 11030 1 338 . 1 1 30 30 ASN C C 13 178.958 0.400 . 1 . . . . 25 ASN C . 11030 1 339 . 1 1 31 31 GLN N N 15 119.946 0.400 . 1 . . . . 26 GLN N . 11030 1 340 . 1 1 31 31 GLN H H 1 8.184 0.020 . 1 . . . . 26 GLN H . 11030 1 341 . 1 1 31 31 GLN CA C 13 58.779 0.400 . 1 . . . . 26 GLN CA . 11030 1 342 . 1 1 31 31 GLN HA H 1 4.055 0.020 . 1 . . . . 26 GLN HA . 11030 1 343 . 1 1 31 31 GLN CB C 13 29.109 0.400 . 1 . . . . 26 GLN CB . 11030 1 344 . 1 1 31 31 GLN HB2 H 1 2.299 0.020 . 2 . . . . 26 GLN HB2 . 11030 1 345 . 1 1 31 31 GLN HB3 H 1 2.173 0.020 . 2 . . . . 26 GLN HB3 . 11030 1 346 . 1 1 31 31 GLN CG C 13 34.436 0.400 . 1 . . . . 26 GLN CG . 11030 1 347 . 1 1 31 31 GLN HG2 H 1 2.301 0.020 . 2 . . . . 26 GLN HG2 . 11030 1 348 . 1 1 31 31 GLN HG3 H 1 2.646 0.020 . 2 . . . . 26 GLN HG3 . 11030 1 349 . 1 1 31 31 GLN CD C 13 179.038 0.400 . 1 . . . . 26 GLN CD . 11030 1 350 . 1 1 31 31 GLN NE2 N 15 111.666 0.400 . 1 . . . . 26 GLN NE2 . 11030 1 351 . 1 1 31 31 GLN HE21 H 1 7.238 0.020 . 2 . . . . 26 GLN HE21 . 11030 1 352 . 1 1 31 31 GLN HE22 H 1 6.847 0.020 . 2 . . . . 26 GLN HE22 . 11030 1 353 . 1 1 31 31 GLN C C 13 177.586 0.400 . 1 . . . . 26 GLN C . 11030 1 354 . 1 1 32 32 LEU N N 15 116.979 0.400 . 1 . . . . 27 LEU N . 11030 1 355 . 1 1 32 32 LEU H H 1 7.893 0.020 . 1 . . . . 27 LEU H . 11030 1 356 . 1 1 32 32 LEU CA C 13 54.393 0.400 . 1 . . . . 27 LEU CA . 11030 1 357 . 1 1 32 32 LEU HA H 1 4.240 0.020 . 1 . . . . 27 LEU HA . 11030 1 358 . 1 1 32 32 LEU CB C 13 42.566 0.400 . 1 . . . . 27 LEU CB . 11030 1 359 . 1 1 32 32 LEU HB2 H 1 1.992 0.020 . 2 . . . . 27 LEU HB2 . 11030 1 360 . 1 1 32 32 LEU HB3 H 1 1.992 0.020 . 2 . . . . 27 LEU HB3 . 11030 1 361 . 1 1 32 32 LEU HG H 1 1.782 0.020 . 1 . . . . 27 LEU HG . 11030 1 362 . 1 1 32 32 LEU HD11 H 1 0.873 0.020 . 2 . . . . 27 LEU HD1 . 11030 1 363 . 1 1 32 32 LEU HD12 H 1 0.873 0.020 . 2 . . . . 27 LEU HD1 . 11030 1 364 . 1 1 32 32 LEU HD13 H 1 0.873 0.020 . 2 . . . . 27 LEU HD1 . 11030 1 365 . 1 1 32 32 LEU HD21 H 1 0.807 0.020 . 2 . . . . 27 LEU HD2 . 11030 1 366 . 1 1 32 32 LEU HD22 H 1 0.807 0.020 . 2 . . . . 27 LEU HD2 . 11030 1 367 . 1 1 32 32 LEU HD23 H 1 0.807 0.020 . 2 . . . . 27 LEU HD2 . 11030 1 368 . 1 1 32 32 LEU CD1 C 13 26.202 0.400 . 1 . . . . 27 LEU CD1 . 11030 1 369 . 1 1 32 32 LEU C C 13 175.693 0.400 . 1 . . . . 27 LEU C . 11030 1 370 . 1 1 33 33 GLY N N 15 108.299 0.400 . 1 . . . . 28 GLY N . 11030 1 371 . 1 1 33 33 GLY H H 1 7.834 0.020 . 1 . . . . 28 GLY H . 11030 1 372 . 1 1 33 33 GLY CA C 13 45.707 0.400 . 1 . . . . 28 GLY CA . 11030 1 373 . 1 1 33 33 GLY HA2 H 1 3.952 0.020 . 2 . . . . 28 GLY HA2 . 11030 1 374 . 1 1 33 33 GLY HA3 H 1 3.952 0.020 . 2 . . . . 28 GLY HA3 . 11030 1 375 . 1 1 33 33 GLY C C 13 174.317 0.400 . 1 . . . . 28 GLY C . 11030 1 376 . 1 1 34 34 LEU N N 15 120.833 0.400 . 1 . . . . 29 LEU N . 11030 1 377 . 1 1 34 34 LEU H H 1 7.986 0.020 . 1 . . . . 29 LEU H . 11030 1 378 . 1 1 34 34 LEU CA C 13 51.600 0.400 . 1 . . . . 29 LEU CA . 11030 1 379 . 1 1 34 34 LEU HA H 1 4.760 0.020 . 1 . . . . 29 LEU HA . 11030 1 380 . 1 1 34 34 LEU CB C 13 43.531 0.400 . 1 . . . . 29 LEU CB . 11030 1 381 . 1 1 34 34 LEU HB2 H 1 1.284 0.020 . 2 . . . . 29 LEU HB2 . 11030 1 382 . 1 1 34 34 LEU HB3 H 1 1.284 0.020 . 2 . . . . 29 LEU HB3 . 11030 1 383 . 1 1 34 34 LEU HD11 H 1 0.768 0.020 . 2 . . . . 29 LEU HD1 . 11030 1 384 . 1 1 34 34 LEU HD12 H 1 0.768 0.020 . 2 . . . . 29 LEU HD1 . 11030 1 385 . 1 1 34 34 LEU HD13 H 1 0.768 0.020 . 2 . . . . 29 LEU HD1 . 11030 1 386 . 1 1 34 34 LEU HD21 H 1 0.786 0.020 . 2 . . . . 29 LEU HD2 . 11030 1 387 . 1 1 34 34 LEU HD22 H 1 0.786 0.020 . 2 . . . . 29 LEU HD2 . 11030 1 388 . 1 1 34 34 LEU HD23 H 1 0.786 0.020 . 2 . . . . 29 LEU HD2 . 11030 1 389 . 1 1 34 34 LEU CD1 C 13 24.010 0.400 . 1 . . . . 29 LEU CD1 . 11030 1 390 . 1 1 34 34 LEU CD2 C 13 22.370 0.400 . 1 . . . . 29 LEU CD2 . 11030 1 391 . 1 1 35 35 PRO CD C 13 50.207 0.400 . 1 . . . . 30 PRO CD . 11030 1 392 . 1 1 35 35 PRO CA C 13 62.741 0.400 . 1 . . . . 30 PRO CA . 11030 1 393 . 1 1 35 35 PRO HA H 1 4.365 0.020 . 1 . . . . 30 PRO HA . 11030 1 394 . 1 1 35 35 PRO CB C 13 31.856 0.400 . 1 . . . . 30 PRO CB . 11030 1 395 . 1 1 35 35 PRO HB2 H 1 2.420 0.020 . 2 . . . . 30 PRO HB2 . 11030 1 396 . 1 1 35 35 PRO HB3 H 1 2.420 0.020 . 2 . . . . 30 PRO HB3 . 11030 1 397 . 1 1 35 35 PRO CG C 13 27.337 0.400 . 1 . . . . 30 PRO CG . 11030 1 398 . 1 1 35 35 PRO HG2 H 1 1.963 0.020 . 2 . . . . 30 PRO HG2 . 11030 1 399 . 1 1 35 35 PRO HG3 H 1 1.963 0.020 . 2 . . . . 30 PRO HG3 . 11030 1 400 . 1 1 35 35 PRO HD2 H 1 3.383 0.020 . 2 . . . . 30 PRO HD2 . 11030 1 401 . 1 1 35 35 PRO HD3 H 1 3.383 0.020 . 2 . . . . 30 PRO HD3 . 11030 1 402 . 1 1 35 35 PRO C C 13 177.334 0.400 . 1 . . . . 30 PRO C . 11030 1 403 . 1 1 36 36 LYS N N 15 117.589 0.400 . 1 . . . . 31 LYS N . 11030 1 404 . 1 1 36 36 LYS H H 1 8.380 0.020 . 1 . . . . 31 LYS H . 11030 1 405 . 1 1 36 36 LYS CA C 13 55.569 0.400 . 1 . . . . 31 LYS CA . 11030 1 406 . 1 1 36 36 LYS HA H 1 4.288 0.020 . 1 . . . . 31 LYS HA . 11030 1 407 . 1 1 36 36 LYS CB C 13 33.225 0.400 . 1 . . . . 31 LYS CB . 11030 1 408 . 1 1 36 36 LYS HB2 H 1 1.768 0.020 . 2 . . . . 31 LYS HB2 . 11030 1 409 . 1 1 36 36 LYS HB3 H 1 1.768 0.020 . 2 . . . . 31 LYS HB3 . 11030 1 410 . 1 1 36 36 LYS CG C 13 24.026 0.400 . 1 . . . . 31 LYS CG . 11030 1 411 . 1 1 36 36 LYS HG2 H 1 1.457 0.020 . 2 . . . . 31 LYS HG2 . 11030 1 412 . 1 1 36 36 LYS HG3 H 1 1.457 0.020 . 2 . . . . 31 LYS HG3 . 11030 1 413 . 1 1 36 36 LYS CD C 13 29.494 0.400 . 1 . . . . 31 LYS CD . 11030 1 414 . 1 1 36 36 LYS CE C 13 41.433 0.400 . 1 . . . . 31 LYS CE . 11030 1 415 . 1 1 36 36 LYS HE2 H 1 3.000 0.020 . 2 . . . . 31 LYS HE2 . 11030 1 416 . 1 1 36 36 LYS HE3 H 1 3.000 0.020 . 2 . . . . 31 LYS HE3 . 11030 1 417 . 1 1 36 36 LYS C C 13 174.406 0.400 . 1 . . . . 31 LYS C . 11030 1 418 . 1 1 37 37 GLN N N 15 118.260 0.400 . 1 . . . . 32 GLN N . 11030 1 419 . 1 1 37 37 GLN H H 1 7.698 0.020 . 1 . . . . 32 GLN H . 11030 1 420 . 1 1 37 37 GLN CA C 13 55.716 0.400 . 1 . . . . 32 GLN CA . 11030 1 421 . 1 1 37 37 GLN HA H 1 4.392 0.020 . 1 . . . . 32 GLN HA . 11030 1 422 . 1 1 37 37 GLN CB C 13 28.251 0.400 . 1 . . . . 32 GLN CB . 11030 1 423 . 1 1 37 37 GLN HB2 H 1 2.059 0.020 . 2 . . . . 32 GLN HB2 . 11030 1 424 . 1 1 37 37 GLN HB3 H 1 2.059 0.020 . 2 . . . . 32 GLN HB3 . 11030 1 425 . 1 1 37 37 GLN CG C 13 33.078 0.400 . 1 . . . . 32 GLN CG . 11030 1 426 . 1 1 37 37 GLN HG2 H 1 2.406 0.020 . 2 . . . . 32 GLN HG2 . 11030 1 427 . 1 1 37 37 GLN HG3 H 1 2.406 0.020 . 2 . . . . 32 GLN HG3 . 11030 1 428 . 1 1 37 37 GLN CD C 13 180.043 0.400 . 1 . . . . 32 GLN CD . 11030 1 429 . 1 1 37 37 GLN NE2 N 15 111.990 0.400 . 1 . . . . 32 GLN NE2 . 11030 1 430 . 1 1 37 37 GLN HE21 H 1 7.589 0.020 . 2 . . . . 32 GLN HE21 . 11030 1 431 . 1 1 37 37 GLN HE22 H 1 6.917 0.020 . 2 . . . . 32 GLN HE22 . 11030 1 432 . 1 1 37 37 GLN C C 13 175.122 0.400 . 1 . . . . 32 GLN C . 11030 1 433 . 1 1 38 38 GLY N N 15 109.855 0.400 . 1 . . . . 33 GLY N . 11030 1 434 . 1 1 38 38 GLY H H 1 8.449 0.020 . 1 . . . . 33 GLY H . 11030 1 435 . 1 1 38 38 GLY CA C 13 43.315 0.400 . 1 . . . . 33 GLY CA . 11030 1 436 . 1 1 38 38 GLY HA2 H 1 4.600 0.020 . 2 . . . . 33 GLY HA2 . 11030 1 437 . 1 1 38 38 GLY HA3 H 1 3.803 0.020 . 2 . . . . 33 GLY HA3 . 11030 1 438 . 1 1 38 38 GLY C C 13 173.537 0.400 . 1 . . . . 33 GLY C . 11030 1 439 . 1 1 39 39 LYS N N 15 117.627 0.400 . 1 . . . . 34 LYS N . 11030 1 440 . 1 1 39 39 LYS H H 1 8.649 0.020 . 1 . . . . 34 LYS H . 11030 1 441 . 1 1 39 39 LYS CA C 13 54.916 0.400 . 1 . . . . 34 LYS CA . 11030 1 442 . 1 1 39 39 LYS HA H 1 4.395 0.020 . 1 . . . . 34 LYS HA . 11030 1 443 . 1 1 39 39 LYS CB C 13 32.893 0.400 . 1 . . . . 34 LYS CB . 11030 1 444 . 1 1 39 39 LYS HB2 H 1 1.760 0.020 . 2 . . . . 34 LYS HB2 . 11030 1 445 . 1 1 39 39 LYS HB3 H 1 1.760 0.020 . 2 . . . . 34 LYS HB3 . 11030 1 446 . 1 1 39 39 LYS CG C 13 24.675 0.400 . 1 . . . . 34 LYS CG . 11030 1 447 . 1 1 39 39 LYS HG2 H 1 1.509 0.020 . 2 . . . . 34 LYS HG2 . 11030 1 448 . 1 1 39 39 LYS HG3 H 1 1.509 0.020 . 2 . . . . 34 LYS HG3 . 11030 1 449 . 1 1 39 39 LYS CD C 13 28.619 0.400 . 1 . . . . 34 LYS CD . 11030 1 450 . 1 1 39 39 LYS HD2 H 1 1.739 0.020 . 2 . . . . 34 LYS HD2 . 11030 1 451 . 1 1 39 39 LYS HD3 H 1 1.739 0.020 . 2 . . . . 34 LYS HD3 . 11030 1 452 . 1 1 39 39 LYS CE C 13 39.909 0.400 . 1 . . . . 34 LYS CE . 11030 1 453 . 1 1 39 39 LYS HE2 H 1 3.000 0.020 . 2 . . . . 34 LYS HE2 . 11030 1 454 . 1 1 39 39 LYS HE3 H 1 3.000 0.020 . 2 . . . . 34 LYS HE3 . 11030 1 455 . 1 1 39 39 LYS C C 13 176.803 0.400 . 1 . . . . 34 LYS C . 11030 1 456 . 1 1 40 40 LYS N N 15 121.705 0.400 . 1 . . . . 35 LYS N . 11030 1 457 . 1 1 40 40 LYS H H 1 8.920 0.020 . 1 . . . . 35 LYS H . 11030 1 458 . 1 1 40 40 LYS CA C 13 61.574 0.400 . 1 . . . . 35 LYS CA . 11030 1 459 . 1 1 40 40 LYS HA H 1 3.599 0.020 . 1 . . . . 35 LYS HA . 11030 1 460 . 1 1 40 40 LYS CB C 13 31.924 0.400 . 1 . . . . 35 LYS CB . 11030 1 461 . 1 1 40 40 LYS HB2 H 1 1.769 0.020 . 2 . . . . 35 LYS HB2 . 11030 1 462 . 1 1 40 40 LYS HB3 H 1 1.862 0.020 . 2 . . . . 35 LYS HB3 . 11030 1 463 . 1 1 40 40 LYS CG C 13 24.667 0.400 . 1 . . . . 35 LYS CG . 11030 1 464 . 1 1 40 40 LYS HG2 H 1 1.202 0.020 . 2 . . . . 35 LYS HG2 . 11030 1 465 . 1 1 40 40 LYS HG3 H 1 1.202 0.020 . 2 . . . . 35 LYS HG3 . 11030 1 466 . 1 1 40 40 LYS CD C 13 29.096 0.400 . 1 . . . . 35 LYS CD . 11030 1 467 . 1 1 40 40 LYS HD2 H 1 1.712 0.020 . 2 . . . . 35 LYS HD2 . 11030 1 468 . 1 1 40 40 LYS HD3 H 1 1.712 0.020 . 2 . . . . 35 LYS HD3 . 11030 1 469 . 1 1 40 40 LYS CE C 13 41.763 0.400 . 1 . . . . 35 LYS CE . 11030 1 470 . 1 1 40 40 LYS HE2 H 1 3.010 0.020 . 2 . . . . 35 LYS HE2 . 11030 1 471 . 1 1 40 40 LYS HE3 H 1 3.010 0.020 . 2 . . . . 35 LYS HE3 . 11030 1 472 . 1 1 40 40 LYS C C 13 177.366 0.400 . 1 . . . . 35 LYS C . 11030 1 473 . 1 1 41 41 GLN N N 15 114.634 0.400 . 1 . . . . 36 GLN N . 11030 1 474 . 1 1 41 41 GLN H H 1 9.017 0.020 . 1 . . . . 36 GLN H . 11030 1 475 . 1 1 41 41 GLN CA C 13 57.636 0.400 . 1 . . . . 36 GLN CA . 11030 1 476 . 1 1 41 41 GLN HA H 1 3.731 0.020 . 1 . . . . 36 GLN HA . 11030 1 477 . 1 1 41 41 GLN CB C 13 27.865 0.400 . 1 . . . . 36 GLN CB . 11030 1 478 . 1 1 41 41 GLN HB2 H 1 2.132 0.020 . 2 . . . . 36 GLN HB2 . 11030 1 479 . 1 1 41 41 GLN HB3 H 1 1.809 0.020 . 2 . . . . 36 GLN HB3 . 11030 1 480 . 1 1 41 41 GLN CG C 13 33.029 0.400 . 1 . . . . 36 GLN CG . 11030 1 481 . 1 1 41 41 GLN HG2 H 1 2.471 0.020 . 2 . . . . 36 GLN HG2 . 11030 1 482 . 1 1 41 41 GLN HG3 H 1 2.351 0.020 . 2 . . . . 36 GLN HG3 . 11030 1 483 . 1 1 41 41 GLN CD C 13 180.016 0.400 . 1 . . . . 36 GLN CD . 11030 1 484 . 1 1 41 41 GLN NE2 N 15 116.890 0.400 . 1 . . . . 36 GLN NE2 . 11030 1 485 . 1 1 41 41 GLN HE21 H 1 8.064 0.020 . 2 . . . . 36 GLN HE21 . 11030 1 486 . 1 1 41 41 GLN HE22 H 1 6.908 0.020 . 2 . . . . 36 GLN HE22 . 11030 1 487 . 1 1 41 41 GLN C C 13 176.872 0.400 . 1 . . . . 36 GLN C . 11030 1 488 . 1 1 42 42 ASP N N 15 115.980 0.400 . 1 . . . . 37 ASP N . 11030 1 489 . 1 1 42 42 ASP H H 1 7.047 0.020 . 1 . . . . 37 ASP H . 11030 1 490 . 1 1 42 42 ASP CA C 13 56.593 0.400 . 1 . . . . 37 ASP CA . 11030 1 491 . 1 1 42 42 ASP HA H 1 4.297 0.020 . 1 . . . . 37 ASP HA . 11030 1 492 . 1 1 42 42 ASP CB C 13 39.839 0.400 . 1 . . . . 37 ASP CB . 11030 1 493 . 1 1 42 42 ASP HB2 H 1 2.985 0.020 . 2 . . . . 37 ASP HB2 . 11030 1 494 . 1 1 42 42 ASP HB3 H 1 2.695 0.020 . 2 . . . . 37 ASP HB3 . 11030 1 495 . 1 1 42 42 ASP C C 13 178.454 0.400 . 1 . . . . 37 ASP C . 11030 1 496 . 1 1 43 43 LEU N N 15 119.074 0.400 . 1 . . . . 38 LEU N . 11030 1 497 . 1 1 43 43 LEU H H 1 7.725 0.020 . 1 . . . . 38 LEU H . 11030 1 498 . 1 1 43 43 LEU CA C 13 57.713 0.400 . 1 . . . . 38 LEU CA . 11030 1 499 . 1 1 43 43 LEU HA H 1 3.787 0.020 . 1 . . . . 38 LEU HA . 11030 1 500 . 1 1 43 43 LEU CB C 13 40.214 0.400 . 1 . . . . 38 LEU CB . 11030 1 501 . 1 1 43 43 LEU HB2 H 1 2.091 0.020 . 2 . . . . 38 LEU HB2 . 11030 1 502 . 1 1 43 43 LEU HB3 H 1 1.290 0.020 . 2 . . . . 38 LEU HB3 . 11030 1 503 . 1 1 43 43 LEU CG C 13 26.110 0.400 . 1 . . . . 38 LEU CG . 11030 1 504 . 1 1 43 43 LEU HG H 1 1.725 0.020 . 1 . . . . 38 LEU HG . 11030 1 505 . 1 1 43 43 LEU HD11 H 1 0.735 0.020 . 2 . . . . 38 LEU HD1 . 11030 1 506 . 1 1 43 43 LEU HD12 H 1 0.735 0.020 . 2 . . . . 38 LEU HD1 . 11030 1 507 . 1 1 43 43 LEU HD13 H 1 0.735 0.020 . 2 . . . . 38 LEU HD1 . 11030 1 508 . 1 1 43 43 LEU HD21 H 1 0.378 0.020 . 2 . . . . 38 LEU HD2 . 11030 1 509 . 1 1 43 43 LEU HD22 H 1 0.378 0.020 . 2 . . . . 38 LEU HD2 . 11030 1 510 . 1 1 43 43 LEU HD23 H 1 0.378 0.020 . 2 . . . . 38 LEU HD2 . 11030 1 511 . 1 1 43 43 LEU CD1 C 13 26.046 0.400 . 1 . . . . 38 LEU CD1 . 11030 1 512 . 1 1 43 43 LEU CD2 C 13 21.136 0.400 . 1 . . . . 38 LEU CD2 . 11030 1 513 . 1 1 43 43 LEU C C 13 177.872 0.400 . 1 . . . . 38 LEU C . 11030 1 514 . 1 1 44 44 ILE N N 15 118.343 0.400 . 1 . . . . 39 ILE N . 11030 1 515 . 1 1 44 44 ILE H H 1 7.867 0.020 . 1 . . . . 39 ILE H . 11030 1 516 . 1 1 44 44 ILE CA C 13 66.090 0.400 . 1 . . . . 39 ILE CA . 11030 1 517 . 1 1 44 44 ILE HA H 1 3.321 0.020 . 1 . . . . 39 ILE HA . 11030 1 518 . 1 1 44 44 ILE CB C 13 38.013 0.400 . 1 . . . . 39 ILE CB . 11030 1 519 . 1 1 44 44 ILE HB H 1 1.813 0.020 . 1 . . . . 39 ILE HB . 11030 1 520 . 1 1 44 44 ILE HG21 H 1 0.853 0.020 . 1 . . . . 39 ILE HG2 . 11030 1 521 . 1 1 44 44 ILE HG22 H 1 0.853 0.020 . 1 . . . . 39 ILE HG2 . 11030 1 522 . 1 1 44 44 ILE HG23 H 1 0.853 0.020 . 1 . . . . 39 ILE HG2 . 11030 1 523 . 1 1 44 44 ILE CG2 C 13 16.122 0.400 . 1 . . . . 39 ILE CG2 . 11030 1 524 . 1 1 44 44 ILE HD11 H 1 0.751 0.020 . 1 . . . . 39 ILE HD1 . 11030 1 525 . 1 1 44 44 ILE HD12 H 1 0.751 0.020 . 1 . . . . 39 ILE HD1 . 11030 1 526 . 1 1 44 44 ILE HD13 H 1 0.751 0.020 . 1 . . . . 39 ILE HD1 . 11030 1 527 . 1 1 44 44 ILE CD1 C 13 13.312 0.400 . 1 . . . . 39 ILE CD1 . 11030 1 528 . 1 1 44 44 ILE C C 13 177.711 0.400 . 1 . . . . 39 ILE C . 11030 1 529 . 1 1 45 45 ASP N N 15 118.533 0.400 . 1 . . . . 40 ASP N . 11030 1 530 . 1 1 45 45 ASP H H 1 8.503 0.020 . 1 . . . . 40 ASP H . 11030 1 531 . 1 1 45 45 ASP CA C 13 57.009 0.400 . 1 . . . . 40 ASP CA . 11030 1 532 . 1 1 45 45 ASP HA H 1 4.272 0.020 . 1 . . . . 40 ASP HA . 11030 1 533 . 1 1 45 45 ASP CB C 13 39.419 0.400 . 1 . . . . 40 ASP CB . 11030 1 534 . 1 1 45 45 ASP HB2 H 1 2.619 0.020 . 2 . . . . 40 ASP HB2 . 11030 1 535 . 1 1 45 45 ASP HB3 H 1 2.781 0.020 . 2 . . . . 40 ASP HB3 . 11030 1 536 . 1 1 45 45 ASP C C 13 178.392 0.400 . 1 . . . . 40 ASP C . 11030 1 537 . 1 1 46 46 ARG N N 15 120.911 0.400 . 1 . . . . 41 ARG N . 11030 1 538 . 1 1 46 46 ARG H H 1 7.717 0.020 . 1 . . . . 41 ARG H . 11030 1 539 . 1 1 46 46 ARG CA C 13 59.048 0.400 . 1 . . . . 41 ARG CA . 11030 1 540 . 1 1 46 46 ARG HA H 1 3.991 0.020 . 1 . . . . 41 ARG HA . 11030 1 541 . 1 1 46 46 ARG CB C 13 29.817 0.400 . 1 . . . . 41 ARG CB . 11030 1 542 . 1 1 46 46 ARG HB2 H 1 2.083 0.020 . 2 . . . . 41 ARG HB2 . 11030 1 543 . 1 1 46 46 ARG HB3 H 1 2.083 0.020 . 2 . . . . 41 ARG HB3 . 11030 1 544 . 1 1 46 46 ARG CG C 13 27.551 0.400 . 1 . . . . 41 ARG CG . 11030 1 545 . 1 1 46 46 ARG HG2 H 1 1.846 0.020 . 2 . . . . 41 ARG HG2 . 11030 1 546 . 1 1 46 46 ARG HG3 H 1 1.846 0.020 . 2 . . . . 41 ARG HG3 . 11030 1 547 . 1 1 46 46 ARG CD C 13 43.916 0.400 . 1 . . . . 41 ARG CD . 11030 1 548 . 1 1 46 46 ARG NE N 15 84.467 0.400 . 1 . . . . 41 ARG NE . 11030 1 549 . 1 1 46 46 ARG HE H 1 7.278 0.020 . 1 . . . . 41 ARG HE . 11030 1 550 . 1 1 46 46 ARG C C 13 177.537 0.400 . 1 . . . . 41 ARG C . 11030 1 551 . 1 1 47 47 VAL N N 15 117.438 0.400 . 1 . . . . 42 VAL N . 11030 1 552 . 1 1 47 47 VAL H H 1 7.445 0.020 . 1 . . . . 42 VAL H . 11030 1 553 . 1 1 47 47 VAL CA C 13 65.881 0.400 . 1 . . . . 42 VAL CA . 11030 1 554 . 1 1 47 47 VAL HA H 1 3.442 0.020 . 1 . . . . 42 VAL HA . 11030 1 555 . 1 1 47 47 VAL CB C 13 30.931 0.400 . 1 . . . . 42 VAL CB . 11030 1 556 . 1 1 47 47 VAL HB H 1 2.100 0.020 . 1 . . . . 42 VAL HB . 11030 1 557 . 1 1 47 47 VAL HG11 H 1 0.690 0.020 . 2 . . . . 42 VAL HG1 . 11030 1 558 . 1 1 47 47 VAL HG12 H 1 0.690 0.020 . 2 . . . . 42 VAL HG1 . 11030 1 559 . 1 1 47 47 VAL HG13 H 1 0.690 0.020 . 2 . . . . 42 VAL HG1 . 11030 1 560 . 1 1 47 47 VAL HG21 H 1 0.884 0.020 . 2 . . . . 42 VAL HG2 . 11030 1 561 . 1 1 47 47 VAL HG22 H 1 0.884 0.020 . 2 . . . . 42 VAL HG2 . 11030 1 562 . 1 1 47 47 VAL HG23 H 1 0.884 0.020 . 2 . . . . 42 VAL HG2 . 11030 1 563 . 1 1 47 47 VAL CG1 C 13 21.168 0.400 . 1 . . . . 42 VAL CG1 . 11030 1 564 . 1 1 47 47 VAL CG2 C 13 22.072 0.400 . 1 . . . . 42 VAL CG2 . 11030 1 565 . 1 1 47 47 VAL C C 13 177.671 0.400 . 1 . . . . 42 VAL C . 11030 1 566 . 1 1 48 48 LEU N N 15 117.085 0.400 . 1 . . . . 43 LEU N . 11030 1 567 . 1 1 48 48 LEU H H 1 8.466 0.020 . 1 . . . . 43 LEU H . 11030 1 568 . 1 1 48 48 LEU CA C 13 57.248 0.400 . 1 . . . . 43 LEU CA . 11030 1 569 . 1 1 48 48 LEU HA H 1 3.847 0.020 . 1 . . . . 43 LEU HA . 11030 1 570 . 1 1 48 48 LEU CB C 13 40.720 0.400 . 1 . . . . 43 LEU CB . 11030 1 571 . 1 1 48 48 LEU HB2 H 1 1.789 0.020 . 2 . . . . 43 LEU HB2 . 11030 1 572 . 1 1 48 48 LEU HB3 H 1 1.452 0.020 . 2 . . . . 43 LEU HB3 . 11030 1 573 . 1 1 48 48 LEU CG C 13 26.032 0.400 . 1 . . . . 43 LEU CG . 11030 1 574 . 1 1 48 48 LEU HG H 1 1.725 0.020 . 1 . . . . 43 LEU HG . 11030 1 575 . 1 1 48 48 LEU HD11 H 1 0.874 0.020 . 2 . . . . 43 LEU HD1 . 11030 1 576 . 1 1 48 48 LEU HD12 H 1 0.874 0.020 . 2 . . . . 43 LEU HD1 . 11030 1 577 . 1 1 48 48 LEU HD13 H 1 0.874 0.020 . 2 . . . . 43 LEU HD1 . 11030 1 578 . 1 1 48 48 LEU HD21 H 1 0.713 0.020 . 2 . . . . 43 LEU HD2 . 11030 1 579 . 1 1 48 48 LEU HD22 H 1 0.713 0.020 . 2 . . . . 43 LEU HD2 . 11030 1 580 . 1 1 48 48 LEU HD23 H 1 0.713 0.020 . 2 . . . . 43 LEU HD2 . 11030 1 581 . 1 1 48 48 LEU CD1 C 13 22.809 0.400 . 1 . . . . 43 LEU CD1 . 11030 1 582 . 1 1 48 48 LEU CD2 C 13 21.561 0.400 . 1 . . . . 43 LEU CD2 . 11030 1 583 . 1 1 48 48 LEU C C 13 179.581 0.400 . 1 . . . . 43 LEU C . 11030 1 584 . 1 1 49 49 ALA N N 15 120.479 0.400 . 1 . . . . 44 ALA N . 11030 1 585 . 1 1 49 49 ALA H H 1 7.953 0.020 . 1 . . . . 44 ALA H . 11030 1 586 . 1 1 49 49 ALA CA C 13 53.997 0.400 . 1 . . . . 44 ALA CA . 11030 1 587 . 1 1 49 49 ALA HA H 1 4.123 0.020 . 1 . . . . 44 ALA HA . 11030 1 588 . 1 1 49 49 ALA HB1 H 1 1.462 0.020 . 1 . . . . 44 ALA HB . 11030 1 589 . 1 1 49 49 ALA HB2 H 1 1.462 0.020 . 1 . . . . 44 ALA HB . 11030 1 590 . 1 1 49 49 ALA HB3 H 1 1.462 0.020 . 1 . . . . 44 ALA HB . 11030 1 591 . 1 1 49 49 ALA CB C 13 17.631 0.400 . 1 . . . . 44 ALA CB . 11030 1 592 . 1 1 49 49 ALA C C 13 178.926 0.400 . 1 . . . . 44 ALA C . 11030 1 593 . 1 1 50 50 LEU N N 15 115.306 0.400 . 1 . . . . 45 LEU N . 11030 1 594 . 1 1 50 50 LEU H H 1 7.428 0.020 . 1 . . . . 45 LEU H . 11030 1 595 . 1 1 50 50 LEU CA C 13 55.652 0.400 . 1 . . . . 45 LEU CA . 11030 1 596 . 1 1 50 50 LEU HA H 1 4.219 0.020 . 1 . . . . 45 LEU HA . 11030 1 597 . 1 1 50 50 LEU CB C 13 41.846 0.400 . 1 . . . . 45 LEU CB . 11030 1 598 . 1 1 50 50 LEU HB2 H 1 1.980 0.020 . 2 . . . . 45 LEU HB2 . 11030 1 599 . 1 1 50 50 LEU HB3 H 1 1.980 0.020 . 2 . . . . 45 LEU HB3 . 11030 1 600 . 1 1 50 50 LEU CG C 13 26.454 0.400 . 1 . . . . 45 LEU CG . 11030 1 601 . 1 1 50 50 LEU HG H 1 1.607 0.020 . 1 . . . . 45 LEU HG . 11030 1 602 . 1 1 50 50 LEU HD11 H 1 0.921 0.020 . 2 . . . . 45 LEU HD1 . 11030 1 603 . 1 1 50 50 LEU HD12 H 1 0.921 0.020 . 2 . . . . 45 LEU HD1 . 11030 1 604 . 1 1 50 50 LEU HD13 H 1 0.921 0.020 . 2 . . . . 45 LEU HD1 . 11030 1 605 . 1 1 50 50 LEU HD21 H 1 0.823 0.020 . 2 . . . . 45 LEU HD2 . 11030 1 606 . 1 1 50 50 LEU HD22 H 1 0.823 0.020 . 2 . . . . 45 LEU HD2 . 11030 1 607 . 1 1 50 50 LEU HD23 H 1 0.823 0.020 . 2 . . . . 45 LEU HD2 . 11030 1 608 . 1 1 50 50 LEU CD1 C 13 21.005 0.400 . 1 . . . . 45 LEU CD1 . 11030 1 609 . 1 1 50 50 LEU CD2 C 13 22.621 0.400 . 1 . . . . 45 LEU CD2 . 11030 1 610 . 1 1 50 50 LEU C C 13 177.840 0.400 . 1 . . . . 45 LEU C . 11030 1 611 . 1 1 51 51 LEU N N 15 115.880 0.400 . 1 . . . . 46 LEU N . 11030 1 612 . 1 1 51 51 LEU H H 1 7.642 0.020 . 1 . . . . 46 LEU H . 11030 1 613 . 1 1 51 51 LEU CA C 13 54.693 0.400 . 1 . . . . 46 LEU CA . 11030 1 614 . 1 1 51 51 LEU HA H 1 4.265 0.020 . 1 . . . . 46 LEU HA . 11030 1 615 . 1 1 51 51 LEU CB C 13 42.040 0.400 . 1 . . . . 46 LEU CB . 11030 1 616 . 1 1 51 51 LEU HB2 H 1 1.968 0.020 . 2 . . . . 46 LEU HB2 . 11030 1 617 . 1 1 51 51 LEU HB3 H 1 1.968 0.020 . 2 . . . . 46 LEU HB3 . 11030 1 618 . 1 1 51 51 LEU CG C 13 26.505 0.400 . 1 . . . . 46 LEU CG . 11030 1 619 . 1 1 51 51 LEU HG H 1 1.598 0.020 . 1 . . . . 46 LEU HG . 11030 1 620 . 1 1 51 51 LEU HD21 H 1 0.832 0.020 . 2 . . . . 46 LEU HD2 . 11030 1 621 . 1 1 51 51 LEU HD22 H 1 0.832 0.020 . 2 . . . . 46 LEU HD2 . 11030 1 622 . 1 1 51 51 LEU HD23 H 1 0.832 0.020 . 2 . . . . 46 LEU HD2 . 11030 1 623 . 1 1 51 51 LEU CD1 C 13 22.670 0.400 . 1 . . . . 46 LEU CD1 . 11030 1 624 . 1 1 51 51 LEU CD2 C 13 23.457 0.400 . 1 . . . . 46 LEU CD2 . 11030 1 625 . 1 1 51 51 LEU C C 13 176.015 0.400 . 1 . . . . 46 LEU C . 11030 1 626 . 1 1 52 52 THR N N 15 109.201 0.400 . 1 . . . . 47 THR N . 11030 1 627 . 1 1 52 52 THR H H 1 7.516 0.020 . 1 . . . . 47 THR H . 11030 1 628 . 1 1 52 52 THR CA C 13 60.834 0.400 . 1 . . . . 47 THR CA . 11030 1 629 . 1 1 52 52 THR HA H 1 4.348 0.020 . 1 . . . . 47 THR HA . 11030 1 630 . 1 1 52 52 THR CB C 13 69.704 0.400 . 1 . . . . 47 THR CB . 11030 1 631 . 1 1 52 52 THR HB H 1 4.248 0.020 . 1 . . . . 47 THR HB . 11030 1 632 . 1 1 52 52 THR HG21 H 1 1.194 0.020 . 1 . . . . 47 THR HG2 . 11030 1 633 . 1 1 52 52 THR HG22 H 1 1.194 0.020 . 1 . . . . 47 THR HG2 . 11030 1 634 . 1 1 52 52 THR HG23 H 1 1.194 0.020 . 1 . . . . 47 THR HG2 . 11030 1 635 . 1 1 52 52 THR CG2 C 13 20.891 0.400 . 1 . . . . 47 THR CG2 . 11030 1 636 . 1 1 52 52 THR C C 13 173.733 0.400 . 1 . . . . 47 THR C . 11030 1 637 . 1 1 53 53 ASP N N 15 122.188 0.400 . 1 . . . . 48 ASP N . 11030 1 638 . 1 1 53 53 ASP H H 1 8.280 0.020 . 1 . . . . 48 ASP H . 11030 1 639 . 1 1 53 53 ASP CA C 13 54.185 0.400 . 1 . . . . 48 ASP CA . 11030 1 640 . 1 1 53 53 ASP HA H 1 4.699 0.020 . 1 . . . . 48 ASP HA . 11030 1 641 . 1 1 53 53 ASP CB C 13 40.749 0.400 . 1 . . . . 48 ASP CB . 11030 1 642 . 1 1 53 53 ASP HB2 H 1 2.652 0.020 . 2 . . . . 48 ASP HB2 . 11030 1 643 . 1 1 53 53 ASP HB3 H 1 2.785 0.020 . 2 . . . . 48 ASP HB3 . 11030 1 644 . 1 1 53 53 ASP CG C 13 179.984 0.400 . 1 . . . . 48 ASP CG . 11030 1 645 . 1 1 53 53 ASP C C 13 176.000 0.400 . 1 . . . . 48 ASP C . 11030 1 646 . 1 1 54 54 GLU N N 15 121.966 0.400 . 1 . . . . 49 GLU N . 11030 1 647 . 1 1 54 54 GLU H H 1 8.588 0.020 . 1 . . . . 49 GLU H . 11030 1 648 . 1 1 54 54 GLU CA C 13 56.604 0.400 . 1 . . . . 49 GLU CA . 11030 1 649 . 1 1 54 54 GLU HA H 1 4.229 0.020 . 1 . . . . 49 GLU HA . 11030 1 650 . 1 1 54 54 GLU CB C 13 29.642 0.400 . 1 . . . . 49 GLU CB . 11030 1 651 . 1 1 54 54 GLU HB2 H 1 1.936 0.020 . 2 . . . . 49 GLU HB2 . 11030 1 652 . 1 1 54 54 GLU HB3 H 1 2.039 0.020 . 2 . . . . 49 GLU HB3 . 11030 1 653 . 1 1 54 54 GLU CG C 13 35.710 0.400 . 1 . . . . 49 GLU CG . 11030 1 654 . 1 1 54 54 GLU HG2 H 1 2.273 0.020 . 2 . . . . 49 GLU HG2 . 11030 1 655 . 1 1 54 54 GLU HG3 H 1 2.273 0.020 . 2 . . . . 49 GLU HG3 . 11030 1 656 . 1 1 54 54 GLU C C 13 176.589 0.400 . 1 . . . . 49 GLU C . 11030 1 657 . 1 1 55 55 GLN N N 15 120.727 0.400 . 1 . . . . 50 GLN N . 11030 1 658 . 1 1 55 55 GLN H H 1 8.642 0.020 . 1 . . . . 50 GLN H . 11030 1 659 . 1 1 55 55 GLN CA C 13 56.165 0.400 . 1 . . . . 50 GLN CA . 11030 1 660 . 1 1 55 55 GLN HA H 1 4.226 0.020 . 1 . . . . 50 GLN HA . 11030 1 661 . 1 1 55 55 GLN CB C 13 28.555 0.400 . 1 . . . . 50 GLN CB . 11030 1 662 . 1 1 55 55 GLN HB2 H 1 2.021 0.020 . 2 . . . . 50 GLN HB2 . 11030 1 663 . 1 1 55 55 GLN HB3 H 1 2.130 0.020 . 2 . . . . 50 GLN HB3 . 11030 1 664 . 1 1 55 55 GLN CG C 13 33.313 0.400 . 1 . . . . 50 GLN CG . 11030 1 665 . 1 1 55 55 GLN HG2 H 1 2.366 0.020 . 2 . . . . 50 GLN HG2 . 11030 1 666 . 1 1 55 55 GLN HG3 H 1 2.366 0.020 . 2 . . . . 50 GLN HG3 . 11030 1 667 . 1 1 55 55 GLN CD C 13 179.851 0.400 . 1 . . . . 50 GLN CD . 11030 1 668 . 1 1 55 55 GLN NE2 N 15 112.704 0.400 . 1 . . . . 50 GLN NE2 . 11030 1 669 . 1 1 55 55 GLN HE21 H 1 7.627 0.020 . 2 . . . . 50 GLN HE21 . 11030 1 670 . 1 1 55 55 GLN HE22 H 1 6.936 0.020 . 2 . . . . 50 GLN HE22 . 11030 1 671 . 1 1 55 55 GLN C C 13 176.554 0.400 . 1 . . . . 50 GLN C . 11030 1 672 . 1 1 56 56 GLY N N 15 109.357 0.400 . 1 . . . . 51 GLY N . 11030 1 673 . 1 1 56 56 GLY H H 1 8.519 0.020 . 1 . . . . 51 GLY H . 11030 1 674 . 1 1 56 56 GLY CA C 13 45.276 0.400 . 1 . . . . 51 GLY CA . 11030 1 675 . 1 1 56 56 GLY HA2 H 1 3.951 0.020 . 2 . . . . 51 GLY HA2 . 11030 1 676 . 1 1 56 56 GLY HA3 H 1 3.815 0.020 . 2 . . . . 51 GLY HA3 . 11030 1 677 . 1 1 56 56 GLY C C 13 174.146 0.400 . 1 . . . . 51 GLY C . 11030 1 678 . 1 1 57 57 GLN N N 15 119.207 0.400 . 1 . . . . 52 GLN N . 11030 1 679 . 1 1 57 57 GLN H H 1 8.263 0.020 . 1 . . . . 52 GLN H . 11030 1 680 . 1 1 57 57 GLN CA C 13 55.650 0.400 . 1 . . . . 52 GLN CA . 11030 1 681 . 1 1 57 57 GLN HA H 1 4.217 0.020 . 1 . . . . 52 GLN HA . 11030 1 682 . 1 1 57 57 GLN CB C 13 28.723 0.400 . 1 . . . . 52 GLN CB . 11030 1 683 . 1 1 57 57 GLN HB2 H 1 1.932 0.020 . 2 . . . . 52 GLN HB2 . 11030 1 684 . 1 1 57 57 GLN HB3 H 1 2.048 0.020 . 2 . . . . 52 GLN HB3 . 11030 1 685 . 1 1 57 57 GLN CG C 13 33.358 0.400 . 1 . . . . 52 GLN CG . 11030 1 686 . 1 1 57 57 GLN HG2 H 1 2.295 0.020 . 2 . . . . 52 GLN HG2 . 11030 1 687 . 1 1 57 57 GLN HG3 H 1 2.295 0.020 . 2 . . . . 52 GLN HG3 . 11030 1 688 . 1 1 57 57 GLN CD C 13 179.875 0.400 . 1 . . . . 52 GLN CD . 11030 1 689 . 1 1 57 57 GLN NE2 N 15 112.550 0.400 . 1 . . . . 52 GLN NE2 . 11030 1 690 . 1 1 57 57 GLN HE21 H 1 7.551 0.020 . 2 . . . . 52 GLN HE21 . 11030 1 691 . 1 1 57 57 GLN HE22 H 1 6.934 0.020 . 2 . . . . 52 GLN HE22 . 11030 1 692 . 1 1 57 57 GLN C C 13 175.872 0.400 . 1 . . . . 52 GLN C . 11030 1 693 . 1 1 58 58 ARG N N 15 120.525 0.400 . 1 . . . . 53 ARG N . 11030 1 694 . 1 1 58 58 ARG H H 1 8.279 0.020 . 1 . . . . 53 ARG H . 11030 1 695 . 1 1 58 58 ARG CA C 13 55.854 0.400 . 1 . . . . 53 ARG CA . 11030 1 696 . 1 1 58 58 ARG HA H 1 4.204 0.020 . 1 . . . . 53 ARG HA . 11030 1 697 . 1 1 58 58 ARG CB C 13 29.944 0.400 . 1 . . . . 53 ARG CB . 11030 1 698 . 1 1 58 58 ARG HB2 H 1 1.671 0.020 . 2 . . . . 53 ARG HB2 . 11030 1 699 . 1 1 58 58 ARG HB3 H 1 1.671 0.020 . 2 . . . . 53 ARG HB3 . 11030 1 700 . 1 1 58 58 ARG CG C 13 26.671 0.400 . 1 . . . . 53 ARG CG . 11030 1 701 . 1 1 58 58 ARG HG2 H 1 1.533 0.020 . 2 . . . . 53 ARG HG2 . 11030 1 702 . 1 1 58 58 ARG HG3 H 1 1.482 0.020 . 2 . . . . 53 ARG HG3 . 11030 1 703 . 1 1 58 58 ARG CD C 13 42.770 0.400 . 1 . . . . 53 ARG CD . 11030 1 704 . 1 1 58 58 ARG HD2 H 1 3.084 0.020 . 2 . . . . 53 ARG HD2 . 11030 1 705 . 1 1 58 58 ARG HD3 H 1 3.084 0.020 . 2 . . . . 53 ARG HD3 . 11030 1 706 . 1 1 58 58 ARG NE N 15 84.322 0.400 . 1 . . . . 53 ARG NE . 11030 1 707 . 1 1 58 58 ARG HE H 1 7.229 0.020 . 1 . . . . 53 ARG HE . 11030 1 708 . 1 1 58 58 ARG C C 13 175.819 0.400 . 1 . . . . 53 ARG C . 11030 1 709 . 1 1 59 59 HIS N N 15 118.905 0.400 . 1 . . . . 54 HIS N . 11030 1 710 . 1 1 59 59 HIS H H 1 8.397 0.020 . 1 . . . . 54 HIS H . 11030 1 711 . 1 1 59 59 HIS CA C 13 55.130 0.400 . 1 . . . . 54 HIS CA . 11030 1 712 . 1 1 59 59 HIS HA H 1 4.554 0.020 . 1 . . . . 54 HIS HA . 11030 1 713 . 1 1 59 59 HIS CB C 13 28.953 0.400 . 1 . . . . 54 HIS CB . 11030 1 714 . 1 1 59 59 HIS HB2 H 1 3.069 0.020 . 2 . . . . 54 HIS HB2 . 11030 1 715 . 1 1 59 59 HIS HB3 H 1 2.947 0.020 . 2 . . . . 54 HIS HB3 . 11030 1 716 . 1 1 59 59 HIS C C 13 174.248 0.400 . 1 . . . . 54 HIS C . 11030 1 717 . 1 1 60 60 HIS N N 15 119.527 0.400 . 1 . . . . 55 HIS N . 11030 1 718 . 1 1 60 60 HIS H H 1 8.493 0.020 . 1 . . . . 55 HIS H . 11030 1 719 . 1 1 60 60 HIS CA C 13 55.589 0.400 . 1 . . . . 55 HIS CA . 11030 1 720 . 1 1 60 60 HIS HA H 1 4.553 0.020 . 1 . . . . 55 HIS HA . 11030 1 721 . 1 1 60 60 HIS CB C 13 28.913 0.400 . 1 . . . . 55 HIS CB . 11030 1 722 . 1 1 60 60 HIS HB2 H 1 3.082 0.020 . 2 . . . . 55 HIS HB2 . 11030 1 723 . 1 1 60 60 HIS HB3 H 1 2.963 0.020 . 2 . . . . 55 HIS HB3 . 11030 1 724 . 1 1 60 60 HIS C C 13 174.759 0.400 . 1 . . . . 55 HIS C . 11030 1 725 . 1 1 61 61 GLY N N 15 110.215 0.400 . 1 . . . . 56 GLY N . 11030 1 726 . 1 1 61 61 GLY H H 1 8.604 0.020 . 1 . . . . 56 GLY H . 11030 1 727 . 1 1 61 61 GLY CA C 13 44.977 0.400 . 1 . . . . 56 GLY CA . 11030 1 728 . 1 1 61 61 GLY HA2 H 1 3.958 0.020 . 2 . . . . 56 GLY HA2 . 11030 1 729 . 1 1 61 61 GLY HA3 H 1 3.833 0.020 . 2 . . . . 56 GLY HA3 . 11030 1 730 . 1 1 61 61 GLY C C 13 173.752 0.400 . 1 . . . . 56 GLY C . 11030 1 731 . 1 1 62 62 TRP N N 15 120.700 0.400 . 1 . . . . 57 TRP N . 11030 1 732 . 1 1 62 62 TRP H H 1 8.175 0.020 . 1 . . . . 57 TRP H . 11030 1 733 . 1 1 62 62 TRP CA C 13 56.935 0.400 . 1 . . . . 57 TRP CA . 11030 1 734 . 1 1 62 62 TRP HA H 1 4.658 0.020 . 1 . . . . 57 TRP HA . 11030 1 735 . 1 1 62 62 TRP CB C 13 29.018 0.400 . 1 . . . . 57 TRP CB . 11030 1 736 . 1 1 62 62 TRP HB2 H 1 3.243 0.020 . 2 . . . . 57 TRP HB2 . 11030 1 737 . 1 1 62 62 TRP HB3 H 1 3.337 0.020 . 2 . . . . 57 TRP HB3 . 11030 1 738 . 1 1 62 62 TRP CD1 C 13 126.437 0.400 . 1 . . . . 57 TRP CD1 . 11030 1 739 . 1 1 62 62 TRP CE3 C 13 120.312 0.400 . 1 . . . . 57 TRP CE3 . 11030 1 740 . 1 1 62 62 TRP NE1 N 15 129.286 0.400 . 1 . . . . 57 TRP NE1 . 11030 1 741 . 1 1 62 62 TRP HD1 H 1 7.232 0.020 . 1 . . . . 57 TRP HD1 . 11030 1 742 . 1 1 62 62 TRP HE3 H 1 7.569 0.020 . 1 . . . . 57 TRP HE3 . 11030 1 743 . 1 1 62 62 TRP CZ3 C 13 119.415 0.400 . 1 . . . . 57 TRP CZ3 . 11030 1 744 . 1 1 62 62 TRP CZ2 C 13 114.016 0.400 . 1 . . . . 57 TRP CZ2 . 11030 1 745 . 1 1 62 62 TRP HE1 H 1 10.230 0.020 . 1 . . . . 57 TRP HE1 . 11030 1 746 . 1 1 62 62 TRP HZ3 H 1 7.510 0.020 . 1 . . . . 57 TRP HZ3 . 11030 1 747 . 1 1 62 62 TRP CH2 C 13 123.927 0.400 . 1 . . . . 57 TRP CH2 . 11030 1 748 . 1 1 62 62 TRP HZ2 H 1 7.362 0.020 . 1 . . . . 57 TRP HZ2 . 11030 1 749 . 1 1 62 62 TRP HH2 H 1 7.109 0.020 . 1 . . . . 57 TRP HH2 . 11030 1 750 . 1 1 62 62 TRP C C 13 176.442 0.400 . 1 . . . . 57 TRP C . 11030 1 751 . 1 1 63 63 GLY N N 15 110.195 0.400 . 1 . . . . 58 GLY N . 11030 1 752 . 1 1 63 63 GLY H H 1 8.452 0.020 . 1 . . . . 58 GLY H . 11030 1 753 . 1 1 63 63 GLY CA C 13 45.052 0.400 . 1 . . . . 58 GLY CA . 11030 1 754 . 1 1 63 63 GLY HA2 H 1 3.925 0.020 . 2 . . . . 58 GLY HA2 . 11030 1 755 . 1 1 63 63 GLY HA3 H 1 3.833 0.020 . 2 . . . . 58 GLY HA3 . 11030 1 756 . 1 1 63 63 GLY C C 13 173.738 0.400 . 1 . . . . 58 GLY C . 11030 1 757 . 1 1 64 64 ARG N N 15 120.374 0.400 . 1 . . . . 59 ARG N . 11030 1 758 . 1 1 64 64 ARG H H 1 8.136 0.020 . 1 . . . . 59 ARG H . 11030 1 759 . 1 1 64 64 ARG CA C 13 55.779 0.400 . 1 . . . . 59 ARG CA . 11030 1 760 . 1 1 64 64 ARG HA H 1 4.287 0.020 . 1 . . . . 59 ARG HA . 11030 1 761 . 1 1 64 64 ARG CB C 13 30.244 0.400 . 1 . . . . 59 ARG CB . 11030 1 762 . 1 1 64 64 ARG HB2 H 1 1.847 0.020 . 2 . . . . 59 ARG HB2 . 11030 1 763 . 1 1 64 64 ARG HB3 H 1 1.712 0.020 . 2 . . . . 59 ARG HB3 . 11030 1 764 . 1 1 64 64 ARG CG C 13 26.739 0.400 . 1 . . . . 59 ARG CG . 11030 1 765 . 1 1 64 64 ARG HG2 H 1 1.587 0.020 . 2 . . . . 59 ARG HG2 . 11030 1 766 . 1 1 64 64 ARG HG3 H 1 1.587 0.020 . 2 . . . . 59 ARG HG3 . 11030 1 767 . 1 1 64 64 ARG CD C 13 42.794 0.400 . 1 . . . . 59 ARG CD . 11030 1 768 . 1 1 64 64 ARG HD2 H 1 3.170 0.020 . 2 . . . . 59 ARG HD2 . 11030 1 769 . 1 1 64 64 ARG HD3 H 1 3.170 0.020 . 2 . . . . 59 ARG HD3 . 11030 1 770 . 1 1 64 64 ARG NE N 15 84.319 0.400 . 1 . . . . 59 ARG NE . 11030 1 771 . 1 1 64 64 ARG HE H 1 7.233 0.020 . 1 . . . . 59 ARG HE . 11030 1 772 . 1 1 64 64 ARG C C 13 176.269 0.400 . 1 . . . . 59 ARG C . 11030 1 773 . 1 1 65 65 LYS N N 15 121.590 0.400 . 1 . . . . 60 LYS N . 11030 1 774 . 1 1 65 65 LYS H H 1 8.483 0.020 . 1 . . . . 60 LYS H . 11030 1 775 . 1 1 65 65 LYS CA C 13 56.435 0.400 . 1 . . . . 60 LYS CA . 11030 1 776 . 1 1 65 65 LYS HA H 1 4.226 0.020 . 1 . . . . 60 LYS HA . 11030 1 777 . 1 1 65 65 LYS CB C 13 32.259 0.400 . 1 . . . . 60 LYS CB . 11030 1 778 . 1 1 65 65 LYS HB2 H 1 1.781 0.020 . 2 . . . . 60 LYS HB2 . 11030 1 779 . 1 1 65 65 LYS HB3 H 1 1.781 0.020 . 2 . . . . 60 LYS HB3 . 11030 1 780 . 1 1 65 65 LYS CG C 13 24.337 0.400 . 1 . . . . 60 LYS CG . 11030 1 781 . 1 1 65 65 LYS HG2 H 1 1.432 0.020 . 2 . . . . 60 LYS HG2 . 11030 1 782 . 1 1 65 65 LYS HG3 H 1 1.432 0.020 . 2 . . . . 60 LYS HG3 . 11030 1 783 . 1 1 65 65 LYS C C 13 176.075 0.400 . 1 . . . . 60 LYS C . 11030 1 784 . 1 1 66 66 ASN N N 15 118.654 0.400 . 1 . . . . 61 ASN N . 11030 1 785 . 1 1 66 66 ASN H H 1 8.413 0.020 . 1 . . . . 61 ASN H . 11030 1 786 . 1 1 66 66 ASN CA C 13 53.042 0.400 . 1 . . . . 61 ASN CA . 11030 1 787 . 1 1 66 66 ASN HA H 1 4.651 0.020 . 1 . . . . 61 ASN HA . 11030 1 788 . 1 1 66 66 ASN CB C 13 38.348 0.400 . 1 . . . . 61 ASN CB . 11030 1 789 . 1 1 66 66 ASN HB2 H 1 2.804 0.020 . 2 . . . . 61 ASN HB2 . 11030 1 790 . 1 1 66 66 ASN HB3 H 1 2.739 0.020 . 2 . . . . 61 ASN HB3 . 11030 1 791 . 1 1 66 66 ASN CG C 13 176.400 0.400 . 1 . . . . 61 ASN CG . 11030 1 792 . 1 1 66 66 ASN ND2 N 15 113.118 0.400 . 1 . . . . 61 ASN ND2 . 11030 1 793 . 1 1 66 66 ASN HD21 H 1 7.681 0.020 . 2 . . . . 61 ASN HD21 . 11030 1 794 . 1 1 66 66 ASN HD22 H 1 6.924 0.020 . 2 . . . . 61 ASN HD22 . 11030 1 795 . 1 1 66 66 ASN C C 13 174.530 0.400 . 1 . . . . 61 ASN C . 11030 1 796 . 1 1 67 67 SER N N 15 115.494 0.400 . 1 . . . . 62 SER N . 11030 1 797 . 1 1 67 67 SER H H 1 8.289 0.020 . 1 . . . . 62 SER H . 11030 1 798 . 1 1 67 67 SER CA C 13 58.090 0.400 . 1 . . . . 62 SER CA . 11030 1 799 . 1 1 67 67 SER HA H 1 4.294 0.020 . 1 . . . . 62 SER HA . 11030 1 800 . 1 1 67 67 SER CB C 13 63.205 0.400 . 1 . . . . 62 SER CB . 11030 1 801 . 1 1 67 67 SER HB2 H 1 3.825 0.020 . 2 . . . . 62 SER HB2 . 11030 1 802 . 1 1 67 67 SER HB3 H 1 3.825 0.020 . 2 . . . . 62 SER HB3 . 11030 1 803 . 1 1 67 67 SER C C 13 173.894 0.400 . 1 . . . . 62 SER C . 11030 1 804 . 1 1 68 68 LEU N N 15 123.552 0.400 . 1 . . . . 63 LEU N . 11030 1 805 . 1 1 68 68 LEU H H 1 8.063 0.020 . 1 . . . . 63 LEU H . 11030 1 806 . 1 1 68 68 LEU CA C 13 54.124 0.400 . 1 . . . . 63 LEU CA . 11030 1 807 . 1 1 68 68 LEU HA H 1 4.495 0.020 . 1 . . . . 63 LEU HA . 11030 1 808 . 1 1 68 68 LEU CB C 13 42.447 0.400 . 1 . . . . 63 LEU CB . 11030 1 809 . 1 1 68 68 LEU HB2 H 1 1.623 0.020 . 2 . . . . 63 LEU HB2 . 11030 1 810 . 1 1 68 68 LEU HB3 H 1 1.623 0.020 . 2 . . . . 63 LEU HB3 . 11030 1 811 . 1 1 68 68 LEU CG C 13 26.684 0.400 . 1 . . . . 63 LEU CG . 11030 1 812 . 1 1 68 68 LEU HG H 1 1.622 0.020 . 1 . . . . 63 LEU HG . 11030 1 813 . 1 1 68 68 LEU HD11 H 1 0.876 0.020 . 2 . . . . 63 LEU HD1 . 11030 1 814 . 1 1 68 68 LEU HD12 H 1 0.876 0.020 . 2 . . . . 63 LEU HD1 . 11030 1 815 . 1 1 68 68 LEU HD13 H 1 0.876 0.020 . 2 . . . . 63 LEU HD1 . 11030 1 816 . 1 1 68 68 LEU HD21 H 1 0.846 0.020 . 2 . . . . 63 LEU HD2 . 11030 1 817 . 1 1 68 68 LEU HD22 H 1 0.846 0.020 . 2 . . . . 63 LEU HD2 . 11030 1 818 . 1 1 68 68 LEU HD23 H 1 0.846 0.020 . 2 . . . . 63 LEU HD2 . 11030 1 819 . 1 1 68 68 LEU CD1 C 13 25.449 0.400 . 1 . . . . 63 LEU CD1 . 11030 1 820 . 1 1 68 68 LEU CD2 C 13 23.358 0.400 . 1 . . . . 63 LEU CD2 . 11030 1 821 . 1 1 68 68 LEU C C 13 176.587 0.400 . 1 . . . . 63 LEU C . 11030 1 822 . 1 1 69 69 THR N N 15 112.637 0.400 . 1 . . . . 64 THR N . 11030 1 823 . 1 1 69 69 THR H H 1 7.797 0.020 . 1 . . . . 64 THR H . 11030 1 824 . 1 1 69 69 THR CA C 13 60.021 0.400 . 1 . . . . 64 THR CA . 11030 1 825 . 1 1 69 69 THR HA H 1 4.490 0.020 . 1 . . . . 64 THR HA . 11030 1 826 . 1 1 69 69 THR CB C 13 70.896 0.400 . 1 . . . . 64 THR CB . 11030 1 827 . 1 1 69 69 THR HB H 1 4.774 0.020 . 1 . . . . 64 THR HB . 11030 1 828 . 1 1 69 69 THR HG21 H 1 1.363 0.020 . 1 . . . . 64 THR HG2 . 11030 1 829 . 1 1 69 69 THR HG22 H 1 1.363 0.020 . 1 . . . . 64 THR HG2 . 11030 1 830 . 1 1 69 69 THR HG23 H 1 1.363 0.020 . 1 . . . . 64 THR HG2 . 11030 1 831 . 1 1 69 69 THR CG2 C 13 21.508 0.400 . 1 . . . . 64 THR CG2 . 11030 1 832 . 1 1 69 69 THR C C 13 174.998 0.400 . 1 . . . . 64 THR C . 11030 1 833 . 1 1 70 70 LYS N N 15 120.128 0.400 . 1 . . . . 65 LYS N . 11030 1 834 . 1 1 70 70 LYS H H 1 9.059 0.020 . 1 . . . . 65 LYS H . 11030 1 835 . 1 1 70 70 LYS CA C 13 59.374 0.400 . 1 . . . . 65 LYS CA . 11030 1 836 . 1 1 70 70 LYS HA H 1 3.941 0.020 . 1 . . . . 65 LYS HA . 11030 1 837 . 1 1 70 70 LYS CB C 13 31.830 0.400 . 1 . . . . 65 LYS CB . 11030 1 838 . 1 1 70 70 LYS HB2 H 1 1.825 0.020 . 2 . . . . 65 LYS HB2 . 11030 1 839 . 1 1 70 70 LYS HB3 H 1 1.825 0.020 . 2 . . . . 65 LYS HB3 . 11030 1 840 . 1 1 70 70 LYS CG C 13 24.520 0.400 . 1 . . . . 65 LYS CG . 11030 1 841 . 1 1 70 70 LYS CD C 13 29.285 0.400 . 1 . . . . 65 LYS CD . 11030 1 842 . 1 1 70 70 LYS CE C 13 41.599 0.400 . 1 . . . . 65 LYS CE . 11030 1 843 . 1 1 70 70 LYS C C 13 177.539 0.400 . 1 . . . . 65 LYS C . 11030 1 844 . 1 1 71 71 GLU N N 15 117.667 0.400 . 1 . . . . 66 GLU N . 11030 1 845 . 1 1 71 71 GLU H H 1 8.699 0.020 . 1 . . . . 66 GLU H . 11030 1 846 . 1 1 71 71 GLU CA C 13 60.307 0.400 . 1 . . . . 66 GLU CA . 11030 1 847 . 1 1 71 71 GLU HA H 1 3.812 0.020 . 1 . . . . 66 GLU HA . 11030 1 848 . 1 1 71 71 GLU CB C 13 27.903 0.400 . 1 . . . . 66 GLU CB . 11030 1 849 . 1 1 71 71 GLU HB2 H 1 2.149 0.020 . 2 . . . . 66 GLU HB2 . 11030 1 850 . 1 1 71 71 GLU HB3 H 1 2.149 0.020 . 2 . . . . 66 GLU HB3 . 11030 1 851 . 1 1 71 71 GLU CG C 13 37.089 0.400 . 1 . . . . 66 GLU CG . 11030 1 852 . 1 1 71 71 GLU HG2 H 1 2.505 0.020 . 2 . . . . 66 GLU HG2 . 11030 1 853 . 1 1 71 71 GLU HG3 H 1 2.182 0.020 . 2 . . . . 66 GLU HG3 . 11030 1 854 . 1 1 71 71 GLU CD C 13 183.610 0.400 . 1 . . . . 66 GLU CD . 11030 1 855 . 1 1 71 71 GLU C C 13 178.499 0.400 . 1 . . . . 66 GLU C . 11030 1 856 . 1 1 72 72 ALA N N 15 123.914 0.400 . 1 . . . . 67 ALA N . 11030 1 857 . 1 1 72 72 ALA H H 1 7.991 0.020 . 1 . . . . 67 ALA H . 11030 1 858 . 1 1 72 72 ALA CA C 13 54.601 0.400 . 1 . . . . 67 ALA CA . 11030 1 859 . 1 1 72 72 ALA HA H 1 4.116 0.020 . 1 . . . . 67 ALA HA . 11030 1 860 . 1 1 72 72 ALA HB1 H 1 1.572 0.020 . 1 . . . . 67 ALA HB . 11030 1 861 . 1 1 72 72 ALA HB2 H 1 1.572 0.020 . 1 . . . . 67 ALA HB . 11030 1 862 . 1 1 72 72 ALA HB3 H 1 1.572 0.020 . 1 . . . . 67 ALA HB . 11030 1 863 . 1 1 72 72 ALA CB C 13 18.288 0.400 . 1 . . . . 67 ALA CB . 11030 1 864 . 1 1 72 72 ALA C C 13 178.721 0.400 . 1 . . . . 67 ALA C . 11030 1 865 . 1 1 73 73 VAL N N 15 119.435 0.400 . 1 . . . . 68 VAL N . 11030 1 866 . 1 1 73 73 VAL H H 1 8.045 0.020 . 1 . . . . 68 VAL H . 11030 1 867 . 1 1 73 73 VAL CA C 13 66.211 0.400 . 1 . . . . 68 VAL CA . 11030 1 868 . 1 1 73 73 VAL HA H 1 3.470 0.020 . 1 . . . . 68 VAL HA . 11030 1 869 . 1 1 73 73 VAL CB C 13 31.103 0.400 . 1 . . . . 68 VAL CB . 11030 1 870 . 1 1 73 73 VAL HB H 1 2.170 0.020 . 1 . . . . 68 VAL HB . 11030 1 871 . 1 1 73 73 VAL HG11 H 1 0.829 0.020 . 2 . . . . 68 VAL HG1 . 11030 1 872 . 1 1 73 73 VAL HG12 H 1 0.829 0.020 . 2 . . . . 68 VAL HG1 . 11030 1 873 . 1 1 73 73 VAL HG13 H 1 0.829 0.020 . 2 . . . . 68 VAL HG1 . 11030 1 874 . 1 1 73 73 VAL HG21 H 1 1.044 0.020 . 2 . . . . 68 VAL HG2 . 11030 1 875 . 1 1 73 73 VAL HG22 H 1 1.044 0.020 . 2 . . . . 68 VAL HG2 . 11030 1 876 . 1 1 73 73 VAL HG23 H 1 1.044 0.020 . 2 . . . . 68 VAL HG2 . 11030 1 877 . 1 1 73 73 VAL CG1 C 13 20.988 0.400 . 1 . . . . 68 VAL CG1 . 11030 1 878 . 1 1 73 73 VAL CG2 C 13 22.584 0.400 . 1 . . . . 68 VAL CG2 . 11030 1 879 . 1 1 73 73 VAL C C 13 177.001 0.400 . 1 . . . . 68 VAL C . 11030 1 880 . 1 1 74 74 ALA N N 15 120.667 0.400 . 1 . . . . 69 ALA N . 11030 1 881 . 1 1 74 74 ALA H H 1 8.407 0.020 . 1 . . . . 69 ALA H . 11030 1 882 . 1 1 74 74 ALA CA C 13 54.687 0.400 . 1 . . . . 69 ALA CA . 11030 1 883 . 1 1 74 74 ALA HA H 1 3.981 0.020 . 1 . . . . 69 ALA HA . 11030 1 884 . 1 1 74 74 ALA HB1 H 1 1.366 0.020 . 1 . . . . 69 ALA HB . 11030 1 885 . 1 1 74 74 ALA HB2 H 1 1.366 0.020 . 1 . . . . 69 ALA HB . 11030 1 886 . 1 1 74 74 ALA HB3 H 1 1.366 0.020 . 1 . . . . 69 ALA HB . 11030 1 887 . 1 1 74 74 ALA CB C 13 18.048 0.400 . 1 . . . . 69 ALA CB . 11030 1 888 . 1 1 74 74 ALA C C 13 178.865 0.400 . 1 . . . . 69 ALA C . 11030 1 889 . 1 1 75 75 LYS N N 15 118.628 0.400 . 1 . . . . 70 LYS N . 11030 1 890 . 1 1 75 75 LYS H H 1 7.930 0.020 . 1 . . . . 70 LYS H . 11030 1 891 . 1 1 75 75 LYS CA C 13 58.914 0.400 . 1 . . . . 70 LYS CA . 11030 1 892 . 1 1 75 75 LYS HA H 1 4.105 0.020 . 1 . . . . 70 LYS HA . 11030 1 893 . 1 1 75 75 LYS CB C 13 31.806 0.400 . 1 . . . . 70 LYS CB . 11030 1 894 . 1 1 75 75 LYS HB2 H 1 1.966 0.020 . 2 . . . . 70 LYS HB2 . 11030 1 895 . 1 1 75 75 LYS HB3 H 1 1.899 0.020 . 2 . . . . 70 LYS HB3 . 11030 1 896 . 1 1 75 75 LYS CG C 13 24.565 0.400 . 1 . . . . 70 LYS CG . 11030 1 897 . 1 1 75 75 LYS HG2 H 1 1.438 0.020 . 2 . . . . 70 LYS HG2 . 11030 1 898 . 1 1 75 75 LYS HG3 H 1 1.438 0.020 . 2 . . . . 70 LYS HG3 . 11030 1 899 . 1 1 75 75 LYS CD C 13 28.534 0.400 . 1 . . . . 70 LYS CD . 11030 1 900 . 1 1 75 75 LYS CE C 13 41.724 0.400 . 1 . . . . 70 LYS CE . 11030 1 901 . 1 1 75 75 LYS HE2 H 1 2.787 0.020 . 2 . . . . 70 LYS HE2 . 11030 1 902 . 1 1 75 75 LYS HE3 H 1 2.787 0.020 . 2 . . . . 70 LYS HE3 . 11030 1 903 . 1 1 75 75 LYS C C 13 177.409 0.400 . 1 . . . . 70 LYS C . 11030 1 904 . 1 1 76 76 ILE N N 15 120.231 0.400 . 1 . . . . 71 ILE N . 11030 1 905 . 1 1 76 76 ILE H H 1 7.478 0.020 . 1 . . . . 71 ILE H . 11030 1 906 . 1 1 76 76 ILE CA C 13 64.835 0.400 . 1 . . . . 71 ILE CA . 11030 1 907 . 1 1 76 76 ILE HA H 1 3.973 0.020 . 1 . . . . 71 ILE HA . 11030 1 908 . 1 1 76 76 ILE CB C 13 37.788 0.400 . 1 . . . . 71 ILE CB . 11030 1 909 . 1 1 76 76 ILE HB H 1 2.032 0.020 . 1 . . . . 71 ILE HB . 11030 1 910 . 1 1 76 76 ILE HG21 H 1 0.866 0.020 . 1 . . . . 71 ILE HG2 . 11030 1 911 . 1 1 76 76 ILE HG22 H 1 0.866 0.020 . 1 . . . . 71 ILE HG2 . 11030 1 912 . 1 1 76 76 ILE HG23 H 1 0.866 0.020 . 1 . . . . 71 ILE HG2 . 11030 1 913 . 1 1 76 76 ILE CG2 C 13 17.162 0.400 . 1 . . . . 71 ILE CG2 . 11030 1 914 . 1 1 76 76 ILE CG1 C 13 29.427 0.400 . 1 . . . . 71 ILE CG1 . 11030 1 915 . 1 1 76 76 ILE HG12 H 1 1.768 0.020 . 2 . . . . 71 ILE HG12 . 11030 1 916 . 1 1 76 76 ILE HG13 H 1 1.190 0.020 . 2 . . . . 71 ILE HG13 . 11030 1 917 . 1 1 76 76 ILE HD11 H 1 0.817 0.020 . 1 . . . . 71 ILE HD1 . 11030 1 918 . 1 1 76 76 ILE HD12 H 1 0.817 0.020 . 1 . . . . 71 ILE HD1 . 11030 1 919 . 1 1 76 76 ILE HD13 H 1 0.817 0.020 . 1 . . . . 71 ILE HD1 . 11030 1 920 . 1 1 76 76 ILE CD1 C 13 13.585 0.400 . 1 . . . . 71 ILE CD1 . 11030 1 921 . 1 1 76 76 ILE C C 13 179.734 0.400 . 1 . . . . 71 ILE C . 11030 1 922 . 1 1 77 77 VAL N N 15 122.505 0.400 . 1 . . . . 72 VAL N . 11030 1 923 . 1 1 77 77 VAL H H 1 8.325 0.020 . 1 . . . . 72 VAL H . 11030 1 924 . 1 1 77 77 VAL CA C 13 67.425 0.400 . 1 . . . . 72 VAL CA . 11030 1 925 . 1 1 77 77 VAL HA H 1 3.581 0.020 . 1 . . . . 72 VAL HA . 11030 1 926 . 1 1 77 77 VAL CB C 13 30.885 0.400 . 1 . . . . 72 VAL CB . 11030 1 927 . 1 1 77 77 VAL HB H 1 2.421 0.020 . 1 . . . . 72 VAL HB . 11030 1 928 . 1 1 77 77 VAL HG11 H 1 1.025 0.020 . 2 . . . . 72 VAL HG1 . 11030 1 929 . 1 1 77 77 VAL HG12 H 1 1.025 0.020 . 2 . . . . 72 VAL HG1 . 11030 1 930 . 1 1 77 77 VAL HG13 H 1 1.025 0.020 . 2 . . . . 72 VAL HG1 . 11030 1 931 . 1 1 77 77 VAL HG21 H 1 0.984 0.020 . 2 . . . . 72 VAL HG2 . 11030 1 932 . 1 1 77 77 VAL HG22 H 1 0.984 0.020 . 2 . . . . 72 VAL HG2 . 11030 1 933 . 1 1 77 77 VAL HG23 H 1 0.984 0.020 . 2 . . . . 72 VAL HG2 . 11030 1 934 . 1 1 77 77 VAL CG1 C 13 21.444 0.400 . 1 . . . . 72 VAL CG1 . 11030 1 935 . 1 1 77 77 VAL CG2 C 13 22.485 0.400 . 1 . . . . 72 VAL CG2 . 11030 1 936 . 1 1 77 77 VAL C C 13 176.939 0.400 . 1 . . . . 72 VAL C . 11030 1 937 . 1 1 78 78 ASP N N 15 120.524 0.400 . 1 . . . . 73 ASP N . 11030 1 938 . 1 1 78 78 ASP H H 1 8.798 0.020 . 1 . . . . 73 ASP H . 11030 1 939 . 1 1 78 78 ASP CA C 13 58.163 0.400 . 1 . . . . 73 ASP CA . 11030 1 940 . 1 1 78 78 ASP HA H 1 4.392 0.020 . 1 . . . . 73 ASP HA . 11030 1 941 . 1 1 78 78 ASP CB C 13 41.459 0.400 . 1 . . . . 73 ASP CB . 11030 1 942 . 1 1 78 78 ASP HB2 H 1 2.802 0.020 . 2 . . . . 73 ASP HB2 . 11030 1 943 . 1 1 78 78 ASP HB3 H 1 2.761 0.020 . 2 . . . . 73 ASP HB3 . 11030 1 944 . 1 1 78 78 ASP CG C 13 178.692 0.400 . 1 . . . . 73 ASP CG . 11030 1 945 . 1 1 78 78 ASP C C 13 178.122 0.400 . 1 . . . . 73 ASP C . 11030 1 946 . 1 1 79 79 ASP N N 15 119.762 0.400 . 1 . . . . 74 ASP N . 11030 1 947 . 1 1 79 79 ASP H H 1 9.318 0.020 . 1 . . . . 74 ASP H . 11030 1 948 . 1 1 79 79 ASP CA C 13 57.122 0.400 . 1 . . . . 74 ASP CA . 11030 1 949 . 1 1 79 79 ASP HA H 1 4.405 0.020 . 1 . . . . 74 ASP HA . 11030 1 950 . 1 1 79 79 ASP CB C 13 39.850 0.400 . 1 . . . . 74 ASP CB . 11030 1 951 . 1 1 79 79 ASP HB2 H 1 2.910 0.020 . 2 . . . . 74 ASP HB2 . 11030 1 952 . 1 1 79 79 ASP HB3 H 1 2.647 0.020 . 2 . . . . 74 ASP HB3 . 11030 1 953 . 1 1 79 79 ASP CG C 13 178.649 0.400 . 1 . . . . 74 ASP CG . 11030 1 954 . 1 1 79 79 ASP C C 13 178.921 0.400 . 1 . . . . 74 ASP C . 11030 1 955 . 1 1 80 80 THR N N 15 117.347 0.400 . 1 . . . . 75 THR N . 11030 1 956 . 1 1 80 80 THR H H 1 8.084 0.020 . 1 . . . . 75 THR H . 11030 1 957 . 1 1 80 80 THR CA C 13 67.055 0.400 . 1 . . . . 75 THR CA . 11030 1 958 . 1 1 80 80 THR HA H 1 3.846 0.020 . 1 . . . . 75 THR HA . 11030 1 959 . 1 1 80 80 THR CB C 13 67.692 0.400 . 1 . . . . 75 THR CB . 11030 1 960 . 1 1 80 80 THR HB H 1 4.288 0.020 . 1 . . . . 75 THR HB . 11030 1 961 . 1 1 80 80 THR HG21 H 1 0.864 0.020 . 1 . . . . 75 THR HG2 . 11030 1 962 . 1 1 80 80 THR HG22 H 1 0.864 0.020 . 1 . . . . 75 THR HG2 . 11030 1 963 . 1 1 80 80 THR HG23 H 1 0.864 0.020 . 1 . . . . 75 THR HG2 . 11030 1 964 . 1 1 80 80 THR CG2 C 13 20.511 0.400 . 1 . . . . 75 THR CG2 . 11030 1 965 . 1 1 80 80 THR C C 13 175.367 0.400 . 1 . . . . 75 THR C . 11030 1 966 . 1 1 81 81 TYR N N 15 123.735 0.400 . 1 . . . . 76 TYR N . 11030 1 967 . 1 1 81 81 TYR H H 1 8.830 0.020 . 1 . . . . 76 TYR H . 11030 1 968 . 1 1 81 81 TYR CA C 13 61.712 0.400 . 1 . . . . 76 TYR CA . 11030 1 969 . 1 1 81 81 TYR HA H 1 4.269 0.020 . 1 . . . . 76 TYR HA . 11030 1 970 . 1 1 81 81 TYR CB C 13 38.639 0.400 . 1 . . . . 76 TYR CB . 11030 1 971 . 1 1 81 81 TYR HB2 H 1 3.452 0.020 . 2 . . . . 76 TYR HB2 . 11030 1 972 . 1 1 81 81 TYR HB3 H 1 3.268 0.020 . 2 . . . . 76 TYR HB3 . 11030 1 973 . 1 1 81 81 TYR CD1 C 13 132.287 0.400 . 1 . . . . 76 TYR CD1 . 11030 1 974 . 1 1 81 81 TYR C C 13 176.700 0.400 . 1 . . . . 76 TYR C . 11030 1 975 . 1 1 82 82 ARG N N 15 118.508 0.400 . 1 . . . . 77 ARG N . 11030 1 976 . 1 1 82 82 ARG H H 1 8.755 0.020 . 1 . . . . 77 ARG H . 11030 1 977 . 1 1 82 82 ARG CA C 13 58.776 0.400 . 1 . . . . 77 ARG CA . 11030 1 978 . 1 1 82 82 ARG HA H 1 3.892 0.020 . 1 . . . . 77 ARG HA . 11030 1 979 . 1 1 82 82 ARG CB C 13 29.459 0.400 . 1 . . . . 77 ARG CB . 11030 1 980 . 1 1 82 82 ARG HB2 H 1 1.917 0.020 . 2 . . . . 77 ARG HB2 . 11030 1 981 . 1 1 82 82 ARG HB3 H 1 1.917 0.020 . 2 . . . . 77 ARG HB3 . 11030 1 982 . 1 1 82 82 ARG CG C 13 27.730 0.400 . 1 . . . . 77 ARG CG . 11030 1 983 . 1 1 82 82 ARG HG2 H 1 1.917 0.020 . 2 . . . . 77 ARG HG2 . 11030 1 984 . 1 1 82 82 ARG HG3 H 1 1.685 0.020 . 2 . . . . 77 ARG HG3 . 11030 1 985 . 1 1 82 82 ARG CD C 13 42.703 0.400 . 1 . . . . 77 ARG CD . 11030 1 986 . 1 1 82 82 ARG HD2 H 1 3.251 0.020 . 2 . . . . 77 ARG HD2 . 11030 1 987 . 1 1 82 82 ARG HD3 H 1 3.251 0.020 . 2 . . . . 77 ARG HD3 . 11030 1 988 . 1 1 82 82 ARG NE N 15 84.609 0.400 . 1 . . . . 77 ARG NE . 11030 1 989 . 1 1 82 82 ARG HE H 1 7.540 0.020 . 1 . . . . 77 ARG HE . 11030 1 990 . 1 1 82 82 ARG CZ C 13 159.043 0.400 . 1 . . . . 77 ARG CZ . 11030 1 991 . 1 1 82 82 ARG HH11 H 1 7.018 0.020 . 2 . . . . 77 ARG HH11 . 11030 1 992 . 1 1 82 82 ARG HH12 H 1 7.018 0.020 . 2 . . . . 77 ARG HH12 . 11030 1 993 . 1 1 82 82 ARG HH21 H 1 6.629 0.020 . 2 . . . . 77 ARG HH21 . 11030 1 994 . 1 1 82 82 ARG HH22 H 1 6.629 0.020 . 2 . . . . 77 ARG HH22 . 11030 1 995 . 1 1 82 82 ARG C C 13 178.748 0.400 . 1 . . . . 77 ARG C . 11030 1 996 . 1 1 83 83 LYS N N 15 118.075 0.400 . 1 . . . . 78 LYS N . 11030 1 997 . 1 1 83 83 LYS H H 1 7.696 0.020 . 1 . . . . 78 LYS H . 11030 1 998 . 1 1 83 83 LYS CA C 13 58.614 0.400 . 1 . . . . 78 LYS CA . 11030 1 999 . 1 1 83 83 LYS HA H 1 4.031 0.020 . 1 . . . . 78 LYS HA . 11030 1 1000 . 1 1 83 83 LYS CB C 13 32.055 0.400 . 1 . . . . 78 LYS CB . 11030 1 1001 . 1 1 83 83 LYS HB2 H 1 1.918 0.020 . 2 . . . . 78 LYS HB2 . 11030 1 1002 . 1 1 83 83 LYS HB3 H 1 1.918 0.020 . 2 . . . . 78 LYS HB3 . 11030 1 1003 . 1 1 83 83 LYS HE2 H 1 2.915 0.020 . 2 . . . . 78 LYS HE2 . 11030 1 1004 . 1 1 83 83 LYS HE3 H 1 2.915 0.020 . 2 . . . . 78 LYS HE3 . 11030 1 1005 . 1 1 83 83 LYS C C 13 177.890 0.400 . 1 . . . . 78 LYS C . 11030 1 1006 . 1 1 84 84 MET N N 15 118.233 0.400 . 1 . . . . 79 MET N . 11030 1 1007 . 1 1 84 84 MET H H 1 7.748 0.020 . 1 . . . . 79 MET H . 11030 1 1008 . 1 1 84 84 MET CA C 13 57.254 0.400 . 1 . . . . 79 MET CA . 11030 1 1009 . 1 1 84 84 MET HA H 1 4.189 0.020 . 1 . . . . 79 MET HA . 11030 1 1010 . 1 1 84 84 MET CB C 13 32.169 0.400 . 1 . . . . 79 MET CB . 11030 1 1011 . 1 1 84 84 MET HB2 H 1 2.139 0.020 . 2 . . . . 79 MET HB2 . 11030 1 1012 . 1 1 84 84 MET HB3 H 1 2.068 0.020 . 2 . . . . 79 MET HB3 . 11030 1 1013 . 1 1 84 84 MET CG C 13 31.530 0.400 . 1 . . . . 79 MET CG . 11030 1 1014 . 1 1 84 84 MET HG2 H 1 2.671 0.020 . 2 . . . . 79 MET HG2 . 11030 1 1015 . 1 1 84 84 MET HG3 H 1 2.503 0.020 . 2 . . . . 79 MET HG3 . 11030 1 1016 . 1 1 84 84 MET HE1 H 1 1.940 0.020 . 1 . . . . 79 MET HE . 11030 1 1017 . 1 1 84 84 MET HE2 H 1 1.940 0.020 . 1 . . . . 79 MET HE . 11030 1 1018 . 1 1 84 84 MET HE3 H 1 1.940 0.020 . 1 . . . . 79 MET HE . 11030 1 1019 . 1 1 84 84 MET CE C 13 16.661 0.400 . 1 . . . . 79 MET CE . 11030 1 1020 . 1 1 84 84 MET C C 13 177.036 0.400 . 1 . . . . 79 MET C . 11030 1 1021 . 1 1 85 85 GLN N N 15 117.242 0.400 . 1 . . . . 80 GLN N . 11030 1 1022 . 1 1 85 85 GLN H H 1 7.843 0.020 . 1 . . . . 80 GLN H . 11030 1 1023 . 1 1 85 85 GLN CA C 13 56.500 0.400 . 1 . . . . 80 GLN CA . 11030 1 1024 . 1 1 85 85 GLN HA H 1 3.993 0.020 . 1 . . . . 80 GLN HA . 11030 1 1025 . 1 1 85 85 GLN CB C 13 28.124 0.400 . 1 . . . . 80 GLN CB . 11030 1 1026 . 1 1 85 85 GLN HB2 H 1 1.966 0.020 . 2 . . . . 80 GLN HB2 . 11030 1 1027 . 1 1 85 85 GLN HB3 H 1 1.966 0.020 . 2 . . . . 80 GLN HB3 . 11030 1 1028 . 1 1 85 85 GLN CG C 13 33.048 0.400 . 1 . . . . 80 GLN CG . 11030 1 1029 . 1 1 85 85 GLN HG2 H 1 1.966 0.020 . 2 . . . . 80 GLN HG2 . 11030 1 1030 . 1 1 85 85 GLN HG3 H 1 1.966 0.020 . 2 . . . . 80 GLN HG3 . 11030 1 1031 . 1 1 85 85 GLN CD C 13 179.523 0.400 . 1 . . . . 80 GLN CD . 11030 1 1032 . 1 1 85 85 GLN NE2 N 15 112.023 0.400 . 1 . . . . 80 GLN NE2 . 11030 1 1033 . 1 1 85 85 GLN HE21 H 1 6.625 0.020 . 2 . . . . 80 GLN HE21 . 11030 1 1034 . 1 1 85 85 GLN HE22 H 1 6.483 0.020 . 2 . . . . 80 GLN HE22 . 11030 1 1035 . 1 1 85 85 GLN C C 13 176.756 0.400 . 1 . . . . 80 GLN C . 11030 1 1036 . 1 1 86 86 ILE N N 15 119.178 0.400 . 1 . . . . 81 ILE N . 11030 1 1037 . 1 1 86 86 ILE H H 1 7.715 0.020 . 1 . . . . 81 ILE H . 11030 1 1038 . 1 1 86 86 ILE CA C 13 61.995 0.400 . 1 . . . . 81 ILE CA . 11030 1 1039 . 1 1 86 86 ILE HA H 1 3.948 0.020 . 1 . . . . 81 ILE HA . 11030 1 1040 . 1 1 86 86 ILE CB C 13 37.856 0.400 . 1 . . . . 81 ILE CB . 11030 1 1041 . 1 1 86 86 ILE HB H 1 1.825 0.020 . 1 . . . . 81 ILE HB . 11030 1 1042 . 1 1 86 86 ILE HG21 H 1 0.842 0.020 . 1 . . . . 81 ILE HG2 . 11030 1 1043 . 1 1 86 86 ILE HG22 H 1 0.842 0.020 . 1 . . . . 81 ILE HG2 . 11030 1 1044 . 1 1 86 86 ILE HG23 H 1 0.842 0.020 . 1 . . . . 81 ILE HG2 . 11030 1 1045 . 1 1 86 86 ILE CG2 C 13 16.903 0.400 . 1 . . . . 81 ILE CG2 . 11030 1 1046 . 1 1 86 86 ILE HG12 H 1 1.492 0.020 . 2 . . . . 81 ILE HG12 . 11030 1 1047 . 1 1 86 86 ILE HG13 H 1 1.154 0.020 . 2 . . . . 81 ILE HG13 . 11030 1 1048 . 1 1 86 86 ILE HD11 H 1 0.789 0.020 . 1 . . . . 81 ILE HD1 . 11030 1 1049 . 1 1 86 86 ILE HD12 H 1 0.789 0.020 . 1 . . . . 81 ILE HD1 . 11030 1 1050 . 1 1 86 86 ILE HD13 H 1 0.789 0.020 . 1 . . . . 81 ILE HD1 . 11030 1 1051 . 1 1 86 86 ILE CD1 C 13 12.527 0.400 . 1 . . . . 81 ILE CD1 . 11030 1 1052 . 1 1 86 86 ILE C C 13 176.728 0.400 . 1 . . . . 81 ILE C . 11030 1 1053 . 1 1 87 87 GLN N N 15 121.380 0.400 . 1 . . . . 82 GLN N . 11030 1 1054 . 1 1 87 87 GLN H H 1 8.164 0.020 . 1 . . . . 82 GLN H . 11030 1 1055 . 1 1 87 87 GLN CA C 13 56.075 0.400 . 1 . . . . 82 GLN CA . 11030 1 1056 . 1 1 87 87 GLN HA H 1 4.227 0.020 . 1 . . . . 82 GLN HA . 11030 1 1057 . 1 1 87 87 GLN CB C 13 28.735 0.400 . 1 . . . . 82 GLN CB . 11030 1 1058 . 1 1 87 87 GLN HB2 H 1 2.127 0.020 . 2 . . . . 82 GLN HB2 . 11030 1 1059 . 1 1 87 87 GLN HB3 H 1 2.047 0.020 . 2 . . . . 82 GLN HB3 . 11030 1 1060 . 1 1 87 87 GLN CG C 13 33.319 0.400 . 1 . . . . 82 GLN CG . 11030 1 1061 . 1 1 87 87 GLN HG2 H 1 2.437 0.020 . 2 . . . . 82 GLN HG2 . 11030 1 1062 . 1 1 87 87 GLN HG3 H 1 2.370 0.020 . 2 . . . . 82 GLN HG3 . 11030 1 1063 . 1 1 87 87 GLN NE2 N 15 112.687 0.400 . 1 . . . . 82 GLN NE2 . 11030 1 1064 . 1 1 87 87 GLN HE21 H 1 7.606 0.020 . 2 . . . . 82 GLN HE21 . 11030 1 1065 . 1 1 87 87 GLN HE22 H 1 6.934 0.020 . 2 . . . . 82 GLN HE22 . 11030 1 1066 . 1 1 87 87 GLN C C 13 175.836 0.400 . 1 . . . . 82 GLN C . 11030 1 1067 . 1 1 88 88 CYS N N 15 118.668 0.400 . 1 . . . . 83 CYS N . 11030 1 1068 . 1 1 88 88 CYS H H 1 8.238 0.020 . 1 . . . . 83 CYS H . 11030 1 1069 . 1 1 88 88 CYS CA C 13 58.012 0.400 . 1 . . . . 83 CYS CA . 11030 1 1070 . 1 1 88 88 CYS HA H 1 4.475 0.020 . 1 . . . . 83 CYS HA . 11030 1 1071 . 1 1 88 88 CYS CB C 13 27.697 0.400 . 1 . . . . 83 CYS CB . 11030 1 1072 . 1 1 88 88 CYS HB2 H 1 2.916 0.020 . 2 . . . . 83 CYS HB2 . 11030 1 1073 . 1 1 88 88 CYS HB3 H 1 2.864 0.020 . 2 . . . . 83 CYS HB3 . 11030 1 1074 . 1 1 88 88 CYS C C 13 173.428 0.400 . 1 . . . . 83 CYS C . 11030 1 1075 . 1 1 89 89 ALA N N 15 127.014 0.400 . 1 . . . . 84 ALA N . 11030 1 1076 . 1 1 89 89 ALA H H 1 8.249 0.020 . 1 . . . . 84 ALA H . 11030 1 1077 . 1 1 89 89 ALA CA C 13 50.615 0.400 . 1 . . . . 84 ALA CA . 11030 1 1078 . 1 1 89 89 ALA HA H 1 4.562 0.020 . 1 . . . . 84 ALA HA . 11030 1 1079 . 1 1 89 89 ALA HB1 H 1 1.394 0.020 . 1 . . . . 84 ALA HB . 11030 1 1080 . 1 1 89 89 ALA HB2 H 1 1.394 0.020 . 1 . . . . 84 ALA HB . 11030 1 1081 . 1 1 89 89 ALA HB3 H 1 1.394 0.020 . 1 . . . . 84 ALA HB . 11030 1 1082 . 1 1 89 89 ALA CB C 13 17.465 0.400 . 1 . . . . 84 ALA CB . 11030 1 1083 . 1 1 89 89 ALA C C 13 175.125 0.400 . 1 . . . . 84 ALA C . 11030 1 1084 . 1 1 90 90 PRO CD C 13 50.067 0.400 . 1 . . . . 85 PRO CD . 11030 1 1085 . 1 1 90 90 PRO CA C 13 63.085 0.400 . 1 . . . . 85 PRO CA . 11030 1 1086 . 1 1 90 90 PRO HA H 1 4.386 0.020 . 1 . . . . 85 PRO HA . 11030 1 1087 . 1 1 90 90 PRO CB C 13 31.491 0.400 . 1 . . . . 85 PRO CB . 11030 1 1088 . 1 1 90 90 PRO HB2 H 1 2.265 0.020 . 2 . . . . 85 PRO HB2 . 11030 1 1089 . 1 1 90 90 PRO HB3 H 1 1.867 0.020 . 2 . . . . 85 PRO HB3 . 11030 1 1090 . 1 1 90 90 PRO CG C 13 27.009 0.400 . 1 . . . . 85 PRO CG . 11030 1 1091 . 1 1 90 90 PRO HG2 H 1 1.994 0.020 . 2 . . . . 85 PRO HG2 . 11030 1 1092 . 1 1 90 90 PRO HG3 H 1 1.994 0.020 . 2 . . . . 85 PRO HG3 . 11030 1 1093 . 1 1 90 90 PRO HD2 H 1 3.769 0.020 . 2 . . . . 85 PRO HD2 . 11030 1 1094 . 1 1 90 90 PRO HD3 H 1 3.647 0.020 . 2 . . . . 85 PRO HD3 . 11030 1 1095 . 1 1 90 90 PRO C C 13 176.381 0.400 . 1 . . . . 85 PRO C . 11030 1 1096 . 1 1 91 91 ASP N N 15 119.209 0.400 . 1 . . . . 86 ASP N . 11030 1 1097 . 1 1 91 91 ASP H H 1 8.429 0.020 . 1 . . . . 86 ASP H . 11030 1 1098 . 1 1 91 91 ASP CA C 13 53.752 0.400 . 1 . . . . 86 ASP CA . 11030 1 1099 . 1 1 91 91 ASP HA H 1 4.394 0.020 . 1 . . . . 86 ASP HA . 11030 1 1100 . 1 1 91 91 ASP CB C 13 40.319 0.400 . 1 . . . . 86 ASP CB . 11030 1 1101 . 1 1 91 91 ASP HB2 H 1 2.695 0.020 . 2 . . . . 86 ASP HB2 . 11030 1 1102 . 1 1 91 91 ASP HB3 H 1 2.654 0.020 . 2 . . . . 86 ASP HB3 . 11030 1 1103 . 1 1 91 91 ASP C C 13 176.101 0.400 . 1 . . . . 86 ASP C . 11030 1 1104 . 1 1 92 92 LEU N N 15 122.571 0.400 . 1 . . . . 87 LEU N . 11030 1 1105 . 1 1 92 92 LEU H H 1 8.208 0.020 . 1 . . . . 87 LEU H . 11030 1 1106 . 1 1 92 92 LEU CA C 13 55.327 0.400 . 1 . . . . 87 LEU CA . 11030 1 1107 . 1 1 92 92 LEU HA H 1 4.205 0.020 . 1 . . . . 87 LEU HA . 11030 1 1108 . 1 1 92 92 LEU CB C 13 41.636 0.400 . 1 . . . . 87 LEU CB . 11030 1 1109 . 1 1 92 92 LEU HB2 H 1 1.621 0.020 . 2 . . . . 87 LEU HB2 . 11030 1 1110 . 1 1 92 92 LEU HB3 H 1 1.621 0.020 . 2 . . . . 87 LEU HB3 . 11030 1 1111 . 1 1 92 92 LEU CG C 13 26.463 0.400 . 1 . . . . 87 LEU CG . 11030 1 1112 . 1 1 92 92 LEU HG H 1 1.617 0.020 . 1 . . . . 87 LEU HG . 11030 1 1113 . 1 1 92 92 LEU HD11 H 1 0.877 0.020 . 2 . . . . 87 LEU HD1 . 11030 1 1114 . 1 1 92 92 LEU HD12 H 1 0.877 0.020 . 2 . . . . 87 LEU HD1 . 11030 1 1115 . 1 1 92 92 LEU HD13 H 1 0.877 0.020 . 2 . . . . 87 LEU HD1 . 11030 1 1116 . 1 1 92 92 LEU HD21 H 1 0.809 0.020 . 2 . . . . 87 LEU HD2 . 11030 1 1117 . 1 1 92 92 LEU HD22 H 1 0.809 0.020 . 2 . . . . 87 LEU HD2 . 11030 1 1118 . 1 1 92 92 LEU HD23 H 1 0.809 0.020 . 2 . . . . 87 LEU HD2 . 11030 1 1119 . 1 1 92 92 LEU CD1 C 13 24.382 0.400 . 1 . . . . 87 LEU CD1 . 11030 1 1120 . 1 1 92 92 LEU CD2 C 13 22.822 0.400 . 1 . . . . 87 LEU CD2 . 11030 1 1121 . 1 1 92 92 LEU C C 13 177.406 0.400 . 1 . . . . 87 LEU C . 11030 1 1122 . 1 1 93 93 ALA N N 15 123.131 0.400 . 1 . . . . 88 ALA N . 11030 1 1123 . 1 1 93 93 ALA H H 1 8.305 0.020 . 1 . . . . 88 ALA H . 11030 1 1124 . 1 1 93 93 ALA CA C 13 52.823 0.400 . 1 . . . . 88 ALA CA . 11030 1 1125 . 1 1 93 93 ALA HA H 1 4.245 0.020 . 1 . . . . 88 ALA HA . 11030 1 1126 . 1 1 93 93 ALA HB1 H 1 1.411 0.020 . 1 . . . . 88 ALA HB . 11030 1 1127 . 1 1 93 93 ALA HB2 H 1 1.411 0.020 . 1 . . . . 88 ALA HB . 11030 1 1128 . 1 1 93 93 ALA HB3 H 1 1.411 0.020 . 1 . . . . 88 ALA HB . 11030 1 1129 . 1 1 93 93 ALA CB C 13 18.496 0.400 . 1 . . . . 88 ALA CB . 11030 1 1130 . 1 1 93 93 ALA C C 13 178.033 0.400 . 1 . . . . 88 ALA C . 11030 1 1131 . 1 1 94 94 THR N N 15 112.097 0.400 . 1 . . . . 89 THR N . 11030 1 1132 . 1 1 94 94 THR H H 1 7.994 0.020 . 1 . . . . 89 THR H . 11030 1 1133 . 1 1 94 94 THR CA C 13 61.892 0.400 . 1 . . . . 89 THR CA . 11030 1 1134 . 1 1 94 94 THR HA H 1 4.247 0.020 . 1 . . . . 89 THR HA . 11030 1 1135 . 1 1 94 94 THR CB C 13 69.076 0.400 . 1 . . . . 89 THR CB . 11030 1 1136 . 1 1 94 94 THR HB H 1 4.229 0.020 . 1 . . . . 89 THR HB . 11030 1 1137 . 1 1 94 94 THR HG21 H 1 1.195 0.020 . 1 . . . . 89 THR HG2 . 11030 1 1138 . 1 1 94 94 THR HG22 H 1 1.195 0.020 . 1 . . . . 89 THR HG2 . 11030 1 1139 . 1 1 94 94 THR HG23 H 1 1.195 0.020 . 1 . . . . 89 THR HG2 . 11030 1 1140 . 1 1 94 94 THR CG2 C 13 21.162 0.400 . 1 . . . . 89 THR CG2 . 11030 1 1141 . 1 1 94 94 THR C C 13 174.478 0.400 . 1 . . . . 89 THR C . 11030 1 1142 . 1 1 95 95 ARG N N 15 122.704 0.400 . 1 . . . . 90 ARG N . 11030 1 1143 . 1 1 95 95 ARG H H 1 8.211 0.020 . 1 . . . . 90 ARG H . 11030 1 1144 . 1 1 95 95 ARG CA C 13 55.803 0.400 . 1 . . . . 90 ARG CA . 11030 1 1145 . 1 1 95 95 ARG HA H 1 4.336 0.020 . 1 . . . . 90 ARG HA . 11030 1 1146 . 1 1 95 95 ARG CB C 13 30.263 0.400 . 1 . . . . 90 ARG CB . 11030 1 1147 . 1 1 95 95 ARG HB2 H 1 1.743 0.020 . 2 . . . . 90 ARG HB2 . 11030 1 1148 . 1 1 95 95 ARG HB3 H 1 1.839 0.020 . 2 . . . . 90 ARG HB3 . 11030 1 1149 . 1 1 95 95 ARG CG C 13 26.514 0.400 . 1 . . . . 90 ARG CG . 11030 1 1150 . 1 1 95 95 ARG HG2 H 1 1.629 0.020 . 2 . . . . 90 ARG HG2 . 11030 1 1151 . 1 1 95 95 ARG HG3 H 1 1.629 0.020 . 2 . . . . 90 ARG HG3 . 11030 1 1152 . 1 1 95 95 ARG CD C 13 42.887 0.400 . 1 . . . . 90 ARG CD . 11030 1 1153 . 1 1 95 95 ARG HD2 H 1 3.138 0.020 . 2 . . . . 90 ARG HD2 . 11030 1 1154 . 1 1 95 95 ARG HD3 H 1 3.138 0.020 . 2 . . . . 90 ARG HD3 . 11030 1 1155 . 1 1 95 95 ARG NE N 15 84.345 0.400 . 1 . . . . 90 ARG NE . 11030 1 1156 . 1 1 95 95 ARG HE H 1 7.232 0.020 . 1 . . . . 90 ARG HE . 11030 1 1157 . 1 1 95 95 ARG C C 13 175.958 0.400 . 1 . . . . 90 ARG C . 11030 1 1158 . 1 1 96 96 SER N N 15 116.390 0.400 . 1 . . . . 91 SER N . 11030 1 1159 . 1 1 96 96 SER H H 1 8.365 0.020 . 1 . . . . 91 SER H . 11030 1 1160 . 1 1 96 96 SER CA C 13 58.011 0.400 . 1 . . . . 91 SER CA . 11030 1 1161 . 1 1 96 96 SER HA H 1 4.383 0.020 . 1 . . . . 91 SER HA . 11030 1 1162 . 1 1 96 96 SER CB C 13 63.261 0.400 . 1 . . . . 91 SER CB . 11030 1 1163 . 1 1 96 96 SER HB2 H 1 3.819 0.020 . 2 . . . . 91 SER HB2 . 11030 1 1164 . 1 1 96 96 SER HB3 H 1 3.819 0.020 . 2 . . . . 91 SER HB3 . 11030 1 1165 . 1 1 96 96 SER C C 13 174.016 0.400 . 1 . . . . 91 SER C . 11030 1 1166 . 1 1 97 97 HIS N N 15 120.507 0.400 . 1 . . . . 92 HIS N . 11030 1 1167 . 1 1 97 97 HIS H H 1 8.541 0.020 . 1 . . . . 92 HIS H . 11030 1 1168 . 1 1 97 97 HIS CA C 13 55.068 0.400 . 1 . . . . 92 HIS CA . 11030 1 1169 . 1 1 97 97 HIS HA H 1 4.707 0.020 . 1 . . . . 92 HIS HA . 11030 1 1170 . 1 1 97 97 HIS CB C 13 28.839 0.400 . 1 . . . . 92 HIS CB . 11030 1 1171 . 1 1 97 97 HIS HB2 H 1 3.230 0.020 . 2 . . . . 92 HIS HB2 . 11030 1 1172 . 1 1 97 97 HIS HB3 H 1 3.126 0.020 . 2 . . . . 92 HIS HB3 . 11030 1 1173 . 1 1 97 97 HIS C C 13 174.186 0.400 . 1 . . . . 92 HIS C . 11030 1 1174 . 1 1 98 98 SER N N 15 116.801 0.400 . 1 . . . . 93 SER N . 11030 1 1175 . 1 1 98 98 SER H H 1 8.455 0.020 . 1 . . . . 93 SER H . 11030 1 1176 . 1 1 98 98 SER CA C 13 58.046 0.400 . 1 . . . . 93 SER CA . 11030 1 1177 . 1 1 98 98 SER HA H 1 4.450 0.020 . 1 . . . . 93 SER HA . 11030 1 1178 . 1 1 98 98 SER CB C 13 63.434 0.400 . 1 . . . . 93 SER CB . 11030 1 1179 . 1 1 98 98 SER HB2 H 1 3.853 0.020 . 2 . . . . 93 SER HB2 . 11030 1 1180 . 1 1 98 98 SER HB3 H 1 3.853 0.020 . 2 . . . . 93 SER HB3 . 11030 1 1181 . 1 1 98 98 SER C C 13 174.553 0.400 . 1 . . . . 93 SER C . 11030 1 1182 . 1 1 99 99 GLY N N 15 111.114 0.400 . 1 . . . . 94 GLY N . 11030 1 1183 . 1 1 99 99 GLY H H 1 8.597 0.020 . 1 . . . . 94 GLY H . 11030 1 1184 . 1 1 99 99 GLY CA C 13 44.888 0.400 . 1 . . . . 94 GLY CA . 11030 1 1185 . 1 1 99 99 GLY HA2 H 1 3.998 0.020 . 2 . . . . 94 GLY HA2 . 11030 1 1186 . 1 1 99 99 GLY HA3 H 1 3.998 0.020 . 2 . . . . 94 GLY HA3 . 11030 1 1187 . 1 1 99 99 GLY C C 13 173.856 0.400 . 1 . . . . 94 GLY C . 11030 1 1188 . 1 1 100 100 SER N N 15 115.398 0.400 . 1 . . . . 95 SER N . 11030 1 1189 . 1 1 100 100 SER H H 1 8.311 0.020 . 1 . . . . 95 SER H . 11030 1 1190 . 1 1 100 100 SER CA C 13 57.909 0.400 . 1 . . . . 95 SER CA . 11030 1 1191 . 1 1 100 100 SER HA H 1 4.422 0.020 . 1 . . . . 95 SER HA . 11030 1 1192 . 1 1 100 100 SER CB C 13 63.377 0.400 . 1 . . . . 95 SER CB . 11030 1 1193 . 1 1 100 100 SER HB2 H 1 3.796 0.020 . 2 . . . . 95 SER HB2 . 11030 1 1194 . 1 1 100 100 SER HB3 H 1 3.796 0.020 . 2 . . . . 95 SER HB3 . 11030 1 1195 . 1 1 100 100 SER C C 13 173.695 0.400 . 1 . . . . 95 SER C . 11030 1 1196 . 1 1 101 101 ASP N N 15 121.810 0.400 . 1 . . . . 96 ASP N . 11030 1 1197 . 1 1 101 101 ASP H H 1 8.380 0.020 . 1 . . . . 96 ASP H . 11030 1 1198 . 1 1 101 101 ASP CA C 13 53.797 0.400 . 1 . . . . 96 ASP CA . 11030 1 1199 . 1 1 101 101 ASP HA H 1 4.546 0.020 . 1 . . . . 96 ASP HA . 11030 1 1200 . 1 1 101 101 ASP CB C 13 40.440 0.400 . 1 . . . . 96 ASP CB . 11030 1 1201 . 1 1 101 101 ASP HB2 H 1 2.515 0.020 . 2 . . . . 96 ASP HB2 . 11030 1 1202 . 1 1 101 101 ASP HB3 H 1 2.618 0.020 . 2 . . . . 96 ASP HB3 . 11030 1 1203 . 1 1 101 101 ASP C C 13 175.547 0.400 . 1 . . . . 96 ASP C . 11030 1 1204 . 1 1 102 102 PHE N N 15 120.706 0.400 . 1 . . . . 97 PHE N . 11030 1 1205 . 1 1 102 102 PHE H H 1 8.249 0.020 . 1 . . . . 97 PHE H . 11030 1 1206 . 1 1 102 102 PHE CA C 13 57.444 0.400 . 1 . . . . 97 PHE CA . 11030 1 1207 . 1 1 102 102 PHE HA H 1 4.546 0.020 . 1 . . . . 97 PHE HA . 11030 1 1208 . 1 1 102 102 PHE CB C 13 38.772 0.400 . 1 . . . . 97 PHE CB . 11030 1 1209 . 1 1 102 102 PHE HB2 H 1 3.088 0.020 . 2 . . . . 97 PHE HB2 . 11030 1 1210 . 1 1 102 102 PHE HB3 H 1 2.949 0.020 . 2 . . . . 97 PHE HB3 . 11030 1 1211 . 1 1 102 102 PHE CD1 C 13 131.380 0.400 . 1 . . . . 97 PHE CD1 . 11030 1 1212 . 1 1 102 102 PHE HD1 H 1 7.157 0.020 . 1 . . . . 97 PHE HD1 . 11030 1 1213 . 1 1 102 102 PHE HD2 H 1 7.157 0.020 . 1 . . . . 97 PHE HD2 . 11030 1 1214 . 1 1 102 102 PHE C C 13 175.312 0.400 . 1 . . . . 97 PHE C . 11030 1 1215 . 1 1 103 103 SER N N 15 116.992 0.400 . 1 . . . . 98 SER N . 11030 1 1216 . 1 1 103 103 SER H H 1 8.167 0.020 . 1 . . . . 98 SER H . 11030 1 1217 . 1 1 103 103 SER CA C 13 57.983 0.400 . 1 . . . . 98 SER CA . 11030 1 1218 . 1 1 103 103 SER HA H 1 4.314 0.020 . 1 . . . . 98 SER HA . 11030 1 1219 . 1 1 103 103 SER CB C 13 63.384 0.400 . 1 . . . . 98 SER CB . 11030 1 1220 . 1 1 103 103 SER HB2 H 1 3.725 0.020 . 2 . . . . 98 SER HB2 . 11030 1 1221 . 1 1 103 103 SER HB3 H 1 3.725 0.020 . 2 . . . . 98 SER HB3 . 11030 1 1222 . 1 1 103 103 SER C C 13 173.286 0.400 . 1 . . . . 98 SER C . 11030 1 1223 . 1 1 104 104 PHE N N 15 122.000 0.400 . 1 . . . . 99 PHE N . 11030 1 1224 . 1 1 104 104 PHE H H 1 8.170 0.020 . 1 . . . . 99 PHE H . 11030 1 1225 . 1 1 104 104 PHE CA C 13 57.354 0.400 . 1 . . . . 99 PHE CA . 11030 1 1226 . 1 1 104 104 PHE HA H 1 4.545 0.020 . 1 . . . . 99 PHE HA . 11030 1 1227 . 1 1 104 104 PHE CB C 13 39.045 0.400 . 1 . . . . 99 PHE CB . 11030 1 1228 . 1 1 104 104 PHE HB2 H 1 3.037 0.020 . 2 . . . . 99 PHE HB2 . 11030 1 1229 . 1 1 104 104 PHE HB3 H 1 3.037 0.020 . 2 . . . . 99 PHE HB3 . 11030 1 1230 . 1 1 104 104 PHE CD1 C 13 131.395 0.400 . 1 . . . . 99 PHE CD1 . 11030 1 1231 . 1 1 104 104 PHE HD1 H 1 7.209 0.020 . 1 . . . . 99 PHE HD1 . 11030 1 1232 . 1 1 104 104 PHE HD2 H 1 7.209 0.020 . 1 . . . . 99 PHE HD2 . 11030 1 1233 . 1 1 104 104 PHE C C 13 174.621 0.400 . 1 . . . . 99 PHE C . 11030 1 1234 . 1 1 105 105 ARG N N 15 124.796 0.400 . 1 . . . . 100 ARG N . 11030 1 1235 . 1 1 105 105 ARG H H 1 8.101 0.020 . 1 . . . . 100 ARG H . 11030 1 1236 . 1 1 105 105 ARG CA C 13 52.919 0.400 . 1 . . . . 100 ARG CA . 11030 1 1237 . 1 1 105 105 ARG HA H 1 4.542 0.020 . 1 . . . . 100 ARG HA . 11030 1 1238 . 1 1 105 105 ARG CB C 13 29.973 0.400 . 1 . . . . 100 ARG CB . 11030 1 1239 . 1 1 105 105 ARG HB2 H 1 1.717 0.020 . 2 . . . . 100 ARG HB2 . 11030 1 1240 . 1 1 105 105 ARG HB3 H 1 1.717 0.020 . 2 . . . . 100 ARG HB3 . 11030 1 1241 . 1 1 105 105 ARG CG C 13 26.151 0.400 . 1 . . . . 100 ARG CG . 11030 1 1242 . 1 1 105 105 ARG HG2 H 1 1.540 0.020 . 2 . . . . 100 ARG HG2 . 11030 1 1243 . 1 1 105 105 ARG HG3 H 1 1.540 0.020 . 2 . . . . 100 ARG HG3 . 11030 1 1244 . 1 1 105 105 ARG CD C 13 42.805 0.400 . 1 . . . . 100 ARG CD . 11030 1 1245 . 1 1 105 105 ARG HD2 H 1 3.142 0.020 . 2 . . . . 100 ARG HD2 . 11030 1 1246 . 1 1 105 105 ARG HD3 H 1 3.142 0.020 . 2 . . . . 100 ARG HD3 . 11030 1 1247 . 1 1 105 105 ARG C C 13 172.924 0.400 . 1 . . . . 100 ARG C . 11030 1 1248 . 1 1 106 106 PRO CD C 13 50.090 0.400 . 1 . . . . 101 PRO CD . 11030 1 1249 . 1 1 106 106 PRO CA C 13 62.366 0.400 . 1 . . . . 101 PRO CA . 11030 1 1250 . 1 1 106 106 PRO HA H 1 4.349 0.020 . 1 . . . . 101 PRO HA . 11030 1 1251 . 1 1 106 106 PRO CB C 13 31.609 0.400 . 1 . . . . 101 PRO CB . 11030 1 1252 . 1 1 106 106 PRO HB2 H 1 2.267 0.020 . 2 . . . . 101 PRO HB2 . 11030 1 1253 . 1 1 106 106 PRO HB3 H 1 1.854 0.020 . 2 . . . . 101 PRO HB3 . 11030 1 1254 . 1 1 106 106 PRO CG C 13 26.991 0.400 . 1 . . . . 101 PRO CG . 11030 1 1255 . 1 1 106 106 PRO HG2 H 1 1.962 0.020 . 2 . . . . 101 PRO HG2 . 11030 1 1256 . 1 1 106 106 PRO HG3 H 1 1.962 0.020 . 2 . . . . 101 PRO HG3 . 11030 1 1257 . 1 1 106 106 PRO HD2 H 1 3.596 0.020 . 2 . . . . 101 PRO HD2 . 11030 1 1258 . 1 1 106 106 PRO HD3 H 1 3.551 0.020 . 2 . . . . 101 PRO HD3 . 11030 1 1259 . 1 1 106 106 PRO C C 13 176.395 0.400 . 1 . . . . 101 PRO C . 11030 1 1260 . 1 1 107 107 ILE N N 15 121.380 0.400 . 1 . . . . 102 ILE N . 11030 1 1261 . 1 1 107 107 ILE H H 1 8.350 0.020 . 1 . . . . 102 ILE H . 11030 1 1262 . 1 1 107 107 ILE CA C 13 60.925 0.400 . 1 . . . . 102 ILE CA . 11030 1 1263 . 1 1 107 107 ILE HA H 1 4.050 0.020 . 1 . . . . 102 ILE HA . 11030 1 1264 . 1 1 107 107 ILE CB C 13 38.165 0.400 . 1 . . . . 102 ILE CB . 11030 1 1265 . 1 1 107 107 ILE HB H 1 1.820 0.020 . 1 . . . . 102 ILE HB . 11030 1 1266 . 1 1 107 107 ILE HG21 H 1 0.883 0.020 . 1 . . . . 102 ILE HG2 . 11030 1 1267 . 1 1 107 107 ILE HG22 H 1 0.883 0.020 . 1 . . . . 102 ILE HG2 . 11030 1 1268 . 1 1 107 107 ILE HG23 H 1 0.883 0.020 . 1 . . . . 102 ILE HG2 . 11030 1 1269 . 1 1 107 107 ILE CG2 C 13 17.057 0.400 . 1 . . . . 102 ILE CG2 . 11030 1 1270 . 1 1 107 107 ILE CG1 C 13 26.989 0.400 . 1 . . . . 102 ILE CG1 . 11030 1 1271 . 1 1 107 107 ILE HG12 H 1 1.486 0.020 . 2 . . . . 102 ILE HG12 . 11030 1 1272 . 1 1 107 107 ILE HG13 H 1 1.195 0.020 . 2 . . . . 102 ILE HG13 . 11030 1 1273 . 1 1 107 107 ILE HD11 H 1 0.885 0.020 . 1 . . . . 102 ILE HD1 . 11030 1 1274 . 1 1 107 107 ILE HD12 H 1 0.885 0.020 . 1 . . . . 102 ILE HD1 . 11030 1 1275 . 1 1 107 107 ILE HD13 H 1 0.885 0.020 . 1 . . . . 102 ILE HD1 . 11030 1 1276 . 1 1 107 107 ILE CD1 C 13 12.600 0.400 . 1 . . . . 102 ILE CD1 . 11030 1 1277 . 1 1 107 107 ILE C C 13 175.990 0.400 . 1 . . . . 102 ILE C . 11030 1 1278 . 1 1 108 108 GLU N N 15 124.836 0.400 . 1 . . . . 103 GLU N . 11030 1 1279 . 1 1 108 108 GLU H H 1 8.578 0.020 . 1 . . . . 103 GLU H . 11030 1 1280 . 1 1 108 108 GLU CA C 13 55.915 0.400 . 1 . . . . 103 GLU CA . 11030 1 1281 . 1 1 108 108 GLU HA H 1 4.279 0.020 . 1 . . . . 103 GLU HA . 11030 1 1282 . 1 1 108 108 GLU CB C 13 29.902 0.400 . 1 . . . . 103 GLU CB . 11030 1 1283 . 1 1 108 108 GLU HB2 H 1 1.906 0.020 . 2 . . . . 103 GLU HB2 . 11030 1 1284 . 1 1 108 108 GLU HB3 H 1 1.906 0.020 . 2 . . . . 103 GLU HB3 . 11030 1 1285 . 1 1 108 108 GLU CG C 13 35.729 0.400 . 1 . . . . 103 GLU CG . 11030 1 1286 . 1 1 108 108 GLU HG2 H 1 2.239 0.020 . 2 . . . . 103 GLU HG2 . 11030 1 1287 . 1 1 108 108 GLU HG3 H 1 2.239 0.020 . 2 . . . . 103 GLU HG3 . 11030 1 1288 . 1 1 108 108 GLU C C 13 175.678 0.400 . 1 . . . . 103 GLU C . 11030 1 1289 . 1 1 109 109 GLU N N 15 122.847 0.400 . 1 . . . . 104 GLU N . 11030 1 1290 . 1 1 109 109 GLU H H 1 8.459 0.020 . 1 . . . . 104 GLU H . 11030 1 1291 . 1 1 109 109 GLU CA C 13 55.845 0.400 . 1 . . . . 104 GLU CA . 11030 1 1292 . 1 1 109 109 GLU HA H 1 4.273 0.020 . 1 . . . . 104 GLU HA . 11030 1 1293 . 1 1 109 109 GLU CB C 13 29.990 0.400 . 1 . . . . 104 GLU CB . 11030 1 1294 . 1 1 109 109 GLU HB2 H 1 1.889 0.020 . 2 . . . . 104 GLU HB2 . 11030 1 1295 . 1 1 109 109 GLU HB3 H 1 1.889 0.020 . 2 . . . . 104 GLU HB3 . 11030 1 1296 . 1 1 109 109 GLU CG C 13 35.740 0.400 . 1 . . . . 104 GLU CG . 11030 1 1297 . 1 1 109 109 GLU HG2 H 1 2.240 0.020 . 2 . . . . 104 GLU HG2 . 11030 1 1298 . 1 1 109 109 GLU HG3 H 1 2.240 0.020 . 2 . . . . 104 GLU HG3 . 11030 1 1299 . 1 1 109 109 GLU C C 13 174.661 0.400 . 1 . . . . 104 GLU C . 11030 1 1300 . 1 1 110 110 ALA N N 15 131.124 0.400 . 1 . . . . 105 ALA N . 11030 1 1301 . 1 1 110 110 ALA H H 1 8.096 0.020 . 1 . . . . 105 ALA H . 11030 1 1302 . 1 1 110 110 ALA CA C 13 53.433 0.400 . 1 . . . . 105 ALA CA . 11030 1 1303 . 1 1 110 110 ALA HA H 1 4.083 0.020 . 1 . . . . 105 ALA HA . 11030 1 1304 . 1 1 110 110 ALA HB1 H 1 1.320 0.020 . 1 . . . . 105 ALA HB . 11030 1 1305 . 1 1 110 110 ALA HB2 H 1 1.320 0.020 . 1 . . . . 105 ALA HB . 11030 1 1306 . 1 1 110 110 ALA HB3 H 1 1.320 0.020 . 1 . . . . 105 ALA HB . 11030 1 1307 . 1 1 110 110 ALA CB C 13 19.505 0.400 . 1 . . . . 105 ALA CB . 11030 1 1308 . 1 1 110 110 ALA C C 13 182.321 0.400 . 1 . . . . 105 ALA C . 11030 1 stop_ save_ save_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 11030 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $pH_6.1 _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 7 '2D 1H-13C HSQC' 2 $13C_15N_in_100%_D2O isotropic 11030 2 8 '3D HCCH-TOCSY' 2 $13C_15N_in_100%_D2O isotropic 11030 2 9 '4D 1H-13C NOESY' 2 $13C_15N_in_100%_D2O isotropic 11030 2 10 '3D HCABGCO' 2 $13C_15N_in_100%_D2O isotropic 11030 2 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 4 $SPARKY . . 11030 2 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 GLY CA C 13 42.872 0.400 . 1 . . . . -5 GLY CA . 11030 2 2 . 1 1 1 1 GLY C C 13 169.813 0.400 . 1 . . . . -5 GLY C . 11030 2 3 . 1 1 2 2 SER N N 15 115.528 0.400 . 1 . . . . -4 SER N . 11030 2 4 . 1 1 2 2 SER H H 1 8.751 0.020 . 1 . . . . -4 SER H . 11030 2 5 . 1 1 2 2 SER CA C 13 57.687 0.400 . 1 . . . . -4 SER CA . 11030 2 6 . 1 1 2 2 SER HA H 1 4.451 0.020 . 1 . . . . -4 SER HA . 11030 2 7 . 1 1 2 2 SER CB C 13 63.389 0.400 . 1 . . . . -4 SER CB . 11030 2 8 . 1 1 2 2 SER C C 13 173.913 0.400 . 1 . . . . -4 SER C . 11030 2 9 . 1 1 3 3 HIS N N 15 120.998 0.400 . 1 . . . . -3 HIS N . 11030 2 10 . 1 1 3 3 HIS H H 1 8.769 0.020 . 1 . . . . -3 HIS H . 11030 2 11 . 1 1 3 3 HIS CA C 13 55.010 0.400 . 1 . . . . -3 HIS CA . 11030 2 12 . 1 1 3 3 HIS HA H 1 4.707 0.020 . 1 . . . . -3 HIS HA . 11030 2 13 . 1 1 3 3 HIS CB C 13 28.916 0.400 . 1 . . . . -3 HIS CB . 11030 2 14 . 1 1 3 3 HIS HB2 H 1 3.226 0.020 . 2 . . . . -3 HIS HB2 . 11030 2 15 . 1 1 3 3 HIS HB3 H 1 3.143 0.020 . 2 . . . . -3 HIS HB3 . 11030 2 16 . 1 1 3 3 HIS C C 13 174.207 0.400 . 1 . . . . -3 HIS C . 11030 2 17 . 1 1 4 4 MET N N 15 122.227 0.400 . 1 . . . . -2 MET N . 11030 2 18 . 1 1 4 4 MET H H 1 8.518 0.020 . 1 . . . . -2 MET H . 11030 2 19 . 1 1 4 4 MET CA C 13 55.014 0.400 . 1 . . . . -2 MET CA . 11030 2 20 . 1 1 4 4 MET HA H 1 4.418 0.020 . 1 . . . . -2 MET HA . 11030 2 21 . 1 1 4 4 MET CB C 13 32.678 0.400 . 1 . . . . -2 MET CB . 11030 2 22 . 1 1 4 4 MET HB2 H 1 2.027 0.020 . 2 . . . . -2 MET HB2 . 11030 2 23 . 1 1 4 4 MET HB3 H 1 1.949 0.020 . 2 . . . . -2 MET HB3 . 11030 2 24 . 1 1 4 4 MET CG C 13 31.454 0.400 . 1 . . . . -2 MET CG . 11030 2 25 . 1 1 4 4 MET HG2 H 1 2.547 0.020 . 2 . . . . -2 MET HG2 . 11030 2 26 . 1 1 4 4 MET HG3 H 1 2.491 0.020 . 2 . . . . -2 MET HG3 . 11030 2 27 . 1 1 4 4 MET HE1 H 1 2.045 0.020 . 1 . . . . -2 MET HE . 11030 2 28 . 1 1 4 4 MET HE2 H 1 2.045 0.020 . 1 . . . . -2 MET HE . 11030 2 29 . 1 1 4 4 MET HE3 H 1 2.045 0.020 . 1 . . . . -2 MET HE . 11030 2 30 . 1 1 4 4 MET CE C 13 16.522 0.400 . 1 . . . . -2 MET CE . 11030 2 31 . 1 1 4 4 MET C C 13 175.481 0.400 . 1 . . . . -2 MET C . 11030 2 32 . 1 1 5 5 ALA N N 15 125.937 0.400 . 1 . . . . -1 ALA N . 11030 2 33 . 1 1 5 5 ALA H H 1 8.651 0.020 . 1 . . . . -1 ALA H . 11030 2 34 . 1 1 5 5 ALA CA C 13 52.228 0.400 . 1 . . . . -1 ALA CA . 11030 2 35 . 1 1 5 5 ALA HA H 1 4.313 0.020 . 1 . . . . -1 ALA HA . 11030 2 36 . 1 1 5 5 ALA HB1 H 1 1.418 0.020 . 1 . . . . -1 ALA HB . 11030 2 37 . 1 1 5 5 ALA HB2 H 1 1.418 0.020 . 1 . . . . -1 ALA HB . 11030 2 38 . 1 1 5 5 ALA HB3 H 1 1.418 0.020 . 1 . . . . -1 ALA HB . 11030 2 39 . 1 1 5 5 ALA CB C 13 18.649 0.400 . 1 . . . . -1 ALA CB . 11030 2 40 . 1 1 5 5 ALA C C 13 177.820 0.400 . 1 . . . . -1 ALA C . 11030 2 41 . 1 1 6 6 SER N N 15 115.885 0.400 . 1 . . . . 1 SER N . 11030 2 42 . 1 1 6 6 SER H H 1 8.537 0.020 . 1 . . . . 1 SER H . 11030 2 43 . 1 1 6 6 SER CA C 13 58.871 0.400 . 1 . . . . 1 SER CA . 11030 2 44 . 1 1 6 6 SER HA H 1 4.284 0.020 . 1 . . . . 1 SER HA . 11030 2 45 . 1 1 6 6 SER CB C 13 62.652 0.400 . 1 . . . . 1 SER CB . 11030 2 46 . 1 1 6 6 SER HB2 H 1 3.913 0.020 . 2 . . . . 1 SER HB2 . 11030 2 47 . 1 1 6 6 SER HB3 H 1 3.875 0.020 . 2 . . . . 1 SER HB3 . 11030 2 48 . 1 1 6 6 SER C C 13 174.570 0.400 . 1 . . . . 1 SER C . 11030 2 49 . 1 1 7 7 ALA N N 15 124.549 0.400 . 1 . . . . 2 ALA N . 11030 2 50 . 1 1 7 7 ALA H H 1 8.453 0.020 . 1 . . . . 2 ALA H . 11030 2 51 . 1 1 7 7 ALA CA C 13 53.221 0.400 . 1 . . . . 2 ALA CA . 11030 2 52 . 1 1 7 7 ALA HA H 1 4.194 0.020 . 1 . . . . 2 ALA HA . 11030 2 53 . 1 1 7 7 ALA HB1 H 1 1.384 0.020 . 1 . . . . 2 ALA HB . 11030 2 54 . 1 1 7 7 ALA HB2 H 1 1.384 0.020 . 1 . . . . 2 ALA HB . 11030 2 55 . 1 1 7 7 ALA HB3 H 1 1.384 0.020 . 1 . . . . 2 ALA HB . 11030 2 56 . 1 1 7 7 ALA CB C 13 18.431 0.400 . 1 . . . . 2 ALA CB . 11030 2 57 . 1 1 7 7 ALA C C 13 178.162 0.400 . 1 . . . . 2 ALA C . 11030 2 58 . 1 1 8 8 ASP N N 15 118.618 0.400 . 1 . . . . 3 ASP N . 11030 2 59 . 1 1 8 8 ASP H H 1 8.064 0.020 . 1 . . . . 3 ASP H . 11030 2 60 . 1 1 8 8 ASP CA C 13 54.124 0.400 . 1 . . . . 3 ASP CA . 11030 2 61 . 1 1 8 8 ASP HA H 1 4.539 0.020 . 1 . . . . 3 ASP HA . 11030 2 62 . 1 1 8 8 ASP CB C 13 40.341 0.400 . 1 . . . . 3 ASP CB . 11030 2 63 . 1 1 8 8 ASP HB2 H 1 2.715 0.020 . 2 . . . . 3 ASP HB2 . 11030 2 64 . 1 1 8 8 ASP HB3 H 1 2.715 0.020 . 2 . . . . 3 ASP HB3 . 11030 2 65 . 1 1 8 8 ASP C C 13 176.694 0.400 . 1 . . . . 3 ASP C . 11030 2 66 . 1 1 9 9 LEU N N 15 123.427 0.400 . 1 . . . . 4 LEU N . 11030 2 67 . 1 1 9 9 LEU H H 1 8.202 0.020 . 1 . . . . 4 LEU H . 11030 2 68 . 1 1 9 9 LEU CA C 13 57.495 0.400 . 1 . . . . 4 LEU CA . 11030 2 69 . 1 1 9 9 LEU HA H 1 4.086 0.020 . 1 . . . . 4 LEU HA . 11030 2 70 . 1 1 9 9 LEU CB C 13 41.905 0.400 . 1 . . . . 4 LEU CB . 11030 2 71 . 1 1 9 9 LEU HB2 H 1 1.623 0.020 . 2 . . . . 4 LEU HB2 . 11030 2 72 . 1 1 9 9 LEU HB3 H 1 1.754 0.020 . 2 . . . . 4 LEU HB3 . 11030 2 73 . 1 1 9 9 LEU CG C 13 26.475 0.400 . 1 . . . . 4 LEU CG . 11030 2 74 . 1 1 9 9 LEU HG H 1 1.586 0.020 . 1 . . . . 4 LEU HG . 11030 2 75 . 1 1 9 9 LEU HD11 H 1 0.843 0.020 . 2 . . . . 4 LEU HD1 . 11030 2 76 . 1 1 9 9 LEU HD12 H 1 0.843 0.020 . 2 . . . . 4 LEU HD1 . 11030 2 77 . 1 1 9 9 LEU HD13 H 1 0.843 0.020 . 2 . . . . 4 LEU HD1 . 11030 2 78 . 1 1 9 9 LEU HD21 H 1 0.814 0.020 . 2 . . . . 4 LEU HD2 . 11030 2 79 . 1 1 9 9 LEU HD22 H 1 0.814 0.020 . 2 . . . . 4 LEU HD2 . 11030 2 80 . 1 1 9 9 LEU HD23 H 1 0.814 0.020 . 2 . . . . 4 LEU HD2 . 11030 2 81 . 1 1 9 9 LEU CD1 C 13 24.341 0.400 . 1 . . . . 4 LEU CD1 . 11030 2 82 . 1 1 9 9 LEU C C 13 178.839 0.400 . 1 . . . . 4 LEU C . 11030 2 83 . 1 1 10 10 VAL N N 15 119.385 0.400 . 1 . . . . 5 VAL N . 11030 2 84 . 1 1 10 10 VAL H H 1 8.186 0.020 . 1 . . . . 5 VAL H . 11030 2 85 . 1 1 10 10 VAL CA C 13 66.585 0.400 . 1 . . . . 5 VAL CA . 11030 2 86 . 1 1 10 10 VAL HA H 1 3.420 0.020 . 1 . . . . 5 VAL HA . 11030 2 87 . 1 1 10 10 VAL CB C 13 31.177 0.400 . 1 . . . . 5 VAL CB . 11030 2 88 . 1 1 10 10 VAL HB H 1 2.121 0.020 . 1 . . . . 5 VAL HB . 11030 2 89 . 1 1 10 10 VAL HG11 H 1 0.882 0.020 . 2 . . . . 5 VAL HG1 . 11030 2 90 . 1 1 10 10 VAL HG12 H 1 0.882 0.020 . 2 . . . . 5 VAL HG1 . 11030 2 91 . 1 1 10 10 VAL HG13 H 1 0.882 0.020 . 2 . . . . 5 VAL HG1 . 11030 2 92 . 1 1 10 10 VAL HG21 H 1 0.966 0.020 . 2 . . . . 5 VAL HG2 . 11030 2 93 . 1 1 10 10 VAL HG22 H 1 0.966 0.020 . 2 . . . . 5 VAL HG2 . 11030 2 94 . 1 1 10 10 VAL HG23 H 1 0.966 0.020 . 2 . . . . 5 VAL HG2 . 11030 2 95 . 1 1 10 10 VAL CG1 C 13 21.062 0.400 . 1 . . . . 5 VAL CG1 . 11030 2 96 . 1 1 10 10 VAL CG2 C 13 22.732 0.400 . 1 . . . . 5 VAL CG2 . 11030 2 97 . 1 1 10 10 VAL C C 13 177.439 0.400 . 1 . . . . 5 VAL C . 11030 2 98 . 1 1 11 11 SER N N 15 115.027 0.400 . 1 . . . . 6 SER N . 11030 2 99 . 1 1 11 11 SER H H 1 8.252 0.020 . 1 . . . . 6 SER H . 11030 2 100 . 1 1 11 11 SER CA C 13 61.152 0.400 . 1 . . . . 6 SER CA . 11030 2 101 . 1 1 11 11 SER HA H 1 4.055 0.020 . 1 . . . . 6 SER HA . 11030 2 102 . 1 1 11 11 SER CB C 13 62.161 0.400 . 1 . . . . 6 SER CB . 11030 2 103 . 1 1 11 11 SER HB2 H 1 3.889 0.020 . 2 . . . . 6 SER HB2 . 11030 2 104 . 1 1 11 11 SER HB3 H 1 3.889 0.020 . 2 . . . . 6 SER HB3 . 11030 2 105 . 1 1 11 11 SER C C 13 176.036 0.400 . 1 . . . . 6 SER C . 11030 2 106 . 1 1 12 12 SER N N 15 115.144 0.400 . 1 . . . . 7 SER N . 11030 2 107 . 1 1 12 12 SER H H 1 8.053 0.020 . 1 . . . . 7 SER H . 11030 2 108 . 1 1 12 12 SER CA C 13 60.168 0.400 . 1 . . . . 7 SER CA . 11030 2 109 . 1 1 12 12 SER HA H 1 4.284 0.020 . 1 . . . . 7 SER HA . 11030 2 110 . 1 1 12 12 SER CB C 13 62.706 0.400 . 1 . . . . 7 SER CB . 11030 2 111 . 1 1 12 12 SER HB2 H 1 3.933 0.020 . 2 . . . . 7 SER HB2 . 11030 2 112 . 1 1 12 12 SER HB3 H 1 3.933 0.020 . 2 . . . . 7 SER HB3 . 11030 2 113 . 1 1 12 12 SER C C 13 176.540 0.400 . 1 . . . . 7 SER C . 11030 2 114 . 1 1 13 13 CYS N N 15 118.211 0.400 . 1 . . . . 8 CYS N . 11030 2 115 . 1 1 13 13 CYS H H 1 7.919 0.020 . 1 . . . . 8 CYS H . 11030 2 116 . 1 1 13 13 CYS CA C 13 63.651 0.400 . 1 . . . . 8 CYS CA . 11030 2 117 . 1 1 13 13 CYS HA H 1 4.026 0.020 . 1 . . . . 8 CYS HA . 11030 2 118 . 1 1 13 13 CYS CB C 13 26.641 0.400 . 1 . . . . 8 CYS CB . 11030 2 119 . 1 1 13 13 CYS HB2 H 1 3.038 0.020 . 2 . . . . 8 CYS HB2 . 11030 2 120 . 1 1 13 13 CYS HB3 H 1 2.437 0.020 . 2 . . . . 8 CYS HB3 . 11030 2 121 . 1 1 13 13 CYS C C 13 175.645 0.400 . 1 . . . . 8 CYS C . 11030 2 122 . 1 1 14 14 LYS N N 15 120.074 0.400 . 1 . . . . 9 LYS N . 11030 2 123 . 1 1 14 14 LYS H H 1 8.632 0.020 . 1 . . . . 9 LYS H . 11030 2 124 . 1 1 14 14 LYS CA C 13 60.441 0.400 . 1 . . . . 9 LYS CA . 11030 2 125 . 1 1 14 14 LYS HA H 1 3.672 0.020 . 1 . . . . 9 LYS HA . 11030 2 126 . 1 1 14 14 LYS CB C 13 31.685 0.400 . 1 . . . . 9 LYS CB . 11030 2 127 . 1 1 14 14 LYS HB2 H 1 1.838 0.020 . 2 . . . . 9 LYS HB2 . 11030 2 128 . 1 1 14 14 LYS HB3 H 1 1.910 0.020 . 2 . . . . 9 LYS HB3 . 11030 2 129 . 1 1 14 14 LYS CG C 13 25.017 0.400 . 1 . . . . 9 LYS CG . 11030 2 130 . 1 1 14 14 LYS HG2 H 1 1.415 0.020 . 2 . . . . 9 LYS HG2 . 11030 2 131 . 1 1 14 14 LYS HG3 H 1 1.335 0.020 . 2 . . . . 9 LYS HG3 . 11030 2 132 . 1 1 14 14 LYS CD C 13 29.007 0.400 . 1 . . . . 9 LYS CD . 11030 2 133 . 1 1 14 14 LYS HD2 H 1 1.635 0.020 . 2 . . . . 9 LYS HD2 . 11030 2 134 . 1 1 14 14 LYS HD3 H 1 1.605 0.020 . 2 . . . . 9 LYS HD3 . 11030 2 135 . 1 1 14 14 LYS CE C 13 41.546 0.400 . 1 . . . . 9 LYS CE . 11030 2 136 . 1 1 14 14 LYS HE2 H 1 2.868 0.020 . 2 . . . . 9 LYS HE2 . 11030 2 137 . 1 1 14 14 LYS HE3 H 1 2.845 0.020 . 2 . . . . 9 LYS HE3 . 11030 2 138 . 1 1 14 14 LYS C C 13 177.615 0.400 . 1 . . . . 9 LYS C . 11030 2 139 . 1 1 15 15 ASP N N 15 117.613 0.400 . 1 . . . . 10 ASP N . 11030 2 140 . 1 1 15 15 ASP H H 1 7.732 0.020 . 1 . . . . 10 ASP H . 11030 2 141 . 1 1 15 15 ASP CA C 13 56.175 0.400 . 1 . . . . 10 ASP CA . 11030 2 142 . 1 1 15 15 ASP HA H 1 4.307 0.020 . 1 . . . . 10 ASP HA . 11030 2 143 . 1 1 15 15 ASP CB C 13 40.056 0.400 . 1 . . . . 10 ASP CB . 11030 2 144 . 1 1 15 15 ASP HB2 H 1 2.620 0.020 . 2 . . . . 10 ASP HB2 . 11030 2 145 . 1 1 15 15 ASP HB3 H 1 2.668 0.020 . 2 . . . . 10 ASP HB3 . 11030 2 146 . 1 1 15 15 ASP C C 13 177.650 0.400 . 1 . . . . 10 ASP C . 11030 2 147 . 1 1 16 16 LYS N N 15 117.878 0.400 . 1 . . . . 11 LYS N . 11030 2 148 . 1 1 16 16 LYS H H 1 7.254 0.020 . 1 . . . . 11 LYS H . 11030 2 149 . 1 1 16 16 LYS CA C 13 58.962 0.400 . 1 . . . . 11 LYS CA . 11030 2 150 . 1 1 16 16 LYS HA H 1 3.645 0.020 . 1 . . . . 11 LYS HA . 11030 2 151 . 1 1 16 16 LYS CB C 13 32.951 0.400 . 1 . . . . 11 LYS CB . 11030 2 152 . 1 1 16 16 LYS HB2 H 1 1.208 0.020 . 2 . . . . 11 LYS HB2 . 11030 2 153 . 1 1 16 16 LYS HB3 H 1 1.208 0.020 . 2 . . . . 11 LYS HB3 . 11030 2 154 . 1 1 16 16 LYS CG C 13 25.480 0.400 . 1 . . . . 11 LYS CG . 11030 2 155 . 1 1 16 16 LYS HG2 H 1 -0.054 0.020 . 2 . . . . 11 LYS HG2 . 11030 2 156 . 1 1 16 16 LYS HG3 H 1 -0.083 0.020 . 2 . . . . 11 LYS HG3 . 11030 2 157 . 1 1 16 16 LYS CE C 13 41.750 0.400 . 1 . . . . 11 LYS CE . 11030 2 158 . 1 1 16 16 LYS HE2 H 1 2.494 0.020 . 2 . . . . 11 LYS HE2 . 11030 2 159 . 1 1 16 16 LYS HE3 H 1 2.494 0.020 . 2 . . . . 11 LYS HE3 . 11030 2 160 . 1 1 16 16 LYS C C 13 177.263 0.400 . 1 . . . . 11 LYS C . 11030 2 161 . 1 1 17 17 LEU N N 15 115.652 0.400 . 1 . . . . 12 LEU N . 11030 2 162 . 1 1 17 17 LEU H H 1 8.138 0.020 . 1 . . . . 12 LEU H . 11030 2 163 . 1 1 17 17 LEU CA C 13 56.726 0.400 . 1 . . . . 12 LEU CA . 11030 2 164 . 1 1 17 17 LEU HA H 1 3.579 0.020 . 1 . . . . 12 LEU HA . 11030 2 165 . 1 1 17 17 LEU CB C 13 41.959 0.400 . 1 . . . . 12 LEU CB . 11030 2 166 . 1 1 17 17 LEU HB2 H 1 1.718 0.020 . 2 . . . . 12 LEU HB2 . 11030 2 167 . 1 1 17 17 LEU HB3 H 1 1.792 0.020 . 2 . . . . 12 LEU HB3 . 11030 2 168 . 1 1 17 17 LEU HD11 H 1 0.747 0.020 . 2 . . . . 12 LEU HD1 . 11030 2 169 . 1 1 17 17 LEU HD12 H 1 0.747 0.020 . 2 . . . . 12 LEU HD1 . 11030 2 170 . 1 1 17 17 LEU HD13 H 1 0.747 0.020 . 2 . . . . 12 LEU HD1 . 11030 2 171 . 1 1 17 17 LEU HD21 H 1 0.689 0.020 . 2 . . . . 12 LEU HD2 . 11030 2 172 . 1 1 17 17 LEU HD22 H 1 0.689 0.020 . 2 . . . . 12 LEU HD2 . 11030 2 173 . 1 1 17 17 LEU HD23 H 1 0.689 0.020 . 2 . . . . 12 LEU HD2 . 11030 2 174 . 1 1 17 17 LEU CD1 C 13 26.143 0.400 . 1 . . . . 12 LEU CD1 . 11030 2 175 . 1 1 17 17 LEU CD2 C 13 23.586 0.400 . 1 . . . . 12 LEU CD2 . 11030 2 176 . 1 1 17 17 LEU C C 13 177.485 0.400 . 1 . . . . 12 LEU C . 11030 2 177 . 1 1 18 18 ALA N N 15 116.044 0.400 . 1 . . . . 13 ALA N . 11030 2 178 . 1 1 18 18 ALA H H 1 7.080 0.020 . 1 . . . . 13 ALA H . 11030 2 179 . 1 1 18 18 ALA CA C 13 53.389 0.400 . 1 . . . . 13 ALA CA . 11030 2 180 . 1 1 18 18 ALA HA H 1 3.963 0.020 . 1 . . . . 13 ALA HA . 11030 2 181 . 1 1 18 18 ALA HB1 H 1 1.278 0.020 . 1 . . . . 13 ALA HB . 11030 2 182 . 1 1 18 18 ALA HB2 H 1 1.278 0.020 . 1 . . . . 13 ALA HB . 11030 2 183 . 1 1 18 18 ALA HB3 H 1 1.278 0.020 . 1 . . . . 13 ALA HB . 11030 2 184 . 1 1 18 18 ALA CB C 13 18.161 0.400 . 1 . . . . 13 ALA CB . 11030 2 185 . 1 1 18 18 ALA C C 13 178.207 0.400 . 1 . . . . 13 ALA C . 11030 2 186 . 1 1 19 19 TYR N N 15 115.556 0.400 . 1 . . . . 14 TYR N . 11030 2 187 . 1 1 19 19 TYR H H 1 7.675 0.020 . 1 . . . . 14 TYR H . 11030 2 188 . 1 1 19 19 TYR CA C 13 58.647 0.400 . 1 . . . . 14 TYR CA . 11030 2 189 . 1 1 19 19 TYR HA H 1 4.304 0.020 . 1 . . . . 14 TYR HA . 11030 2 190 . 1 1 19 19 TYR CB C 13 38.609 0.400 . 1 . . . . 14 TYR CB . 11030 2 191 . 1 1 19 19 TYR HB2 H 1 3.236 0.020 . 2 . . . . 14 TYR HB2 . 11030 2 192 . 1 1 19 19 TYR HB3 H 1 3.054 0.020 . 2 . . . . 14 TYR HB3 . 11030 2 193 . 1 1 19 19 TYR CD1 C 13 133.087 0.400 . 1 . . . . 14 TYR CD1 . 11030 2 194 . 1 1 19 19 TYR HD1 H 1 7.276 0.020 . 1 . . . . 14 TYR HD1 . 11030 2 195 . 1 1 19 19 TYR CE1 C 13 117.811 0.400 . 1 . . . . 14 TYR CE1 . 11030 2 196 . 1 1 19 19 TYR HE1 H 1 6.781 0.020 . 1 . . . . 14 TYR HE1 . 11030 2 197 . 1 1 19 19 TYR HE2 H 1 6.781 0.020 . 1 . . . . 14 TYR HE2 . 11030 2 198 . 1 1 19 19 TYR HD2 H 1 7.276 0.020 . 1 . . . . 14 TYR HD2 . 11030 2 199 . 1 1 19 19 TYR C C 13 175.911 0.400 . 1 . . . . 14 TYR C . 11030 2 200 . 1 1 20 20 PHE N N 15 118.275 0.400 . 1 . . . . 15 PHE N . 11030 2 201 . 1 1 20 20 PHE H H 1 7.406 0.020 . 1 . . . . 15 PHE H . 11030 2 202 . 1 1 20 20 PHE CA C 13 56.615 0.400 . 1 . . . . 15 PHE CA . 11030 2 203 . 1 1 20 20 PHE HA H 1 4.649 0.020 . 1 . . . . 15 PHE HA . 11030 2 204 . 1 1 20 20 PHE CB C 13 38.750 0.400 . 1 . . . . 15 PHE CB . 11030 2 205 . 1 1 20 20 PHE HB2 H 1 3.227 0.020 . 2 . . . . 15 PHE HB2 . 11030 2 206 . 1 1 20 20 PHE HB3 H 1 3.558 0.020 . 2 . . . . 15 PHE HB3 . 11030 2 207 . 1 1 20 20 PHE CD1 C 13 130.808 0.400 . 1 . . . . 15 PHE CD1 . 11030 2 208 . 1 1 20 20 PHE HD1 H 1 7.429 0.020 . 1 . . . . 15 PHE HD1 . 11030 2 209 . 1 1 20 20 PHE CE1 C 13 130.315 0.400 . 1 . . . . 15 PHE CE1 . 11030 2 210 . 1 1 20 20 PHE HE1 H 1 7.197 0.020 . 1 . . . . 15 PHE HE1 . 11030 2 211 . 1 1 20 20 PHE CZ C 13 128.445 0.400 . 1 . . . . 15 PHE CZ . 11030 2 212 . 1 1 20 20 PHE HZ H 1 7.649 0.020 . 1 . . . . 15 PHE HZ . 11030 2 213 . 1 1 20 20 PHE HE2 H 1 7.197 0.020 . 1 . . . . 15 PHE HE2 . 11030 2 214 . 1 1 20 20 PHE HD2 H 1 7.429 0.020 . 1 . . . . 15 PHE HD2 . 11030 2 215 . 1 1 20 20 PHE C C 13 176.160 0.400 . 1 . . . . 15 PHE C . 11030 2 216 . 1 1 21 21 ARG N N 15 119.140 0.400 . 1 . . . . 16 ARG N . 11030 2 217 . 1 1 21 21 ARG H H 1 8.714 0.020 . 1 . . . . 16 ARG H . 11030 2 218 . 1 1 21 21 ARG CA C 13 54.349 0.400 . 1 . . . . 16 ARG CA . 11030 2 219 . 1 1 21 21 ARG HA H 1 4.751 0.020 . 1 . . . . 16 ARG HA . 11030 2 220 . 1 1 21 21 ARG CB C 13 30.097 0.400 . 1 . . . . 16 ARG CB . 11030 2 221 . 1 1 21 21 ARG HB2 H 1 2.299 0.020 . 2 . . . . 16 ARG HB2 . 11030 2 222 . 1 1 21 21 ARG HB3 H 1 2.228 0.020 . 2 . . . . 16 ARG HB3 . 11030 2 223 . 1 1 21 21 ARG CG C 13 27.508 0.400 . 1 . . . . 16 ARG CG . 11030 2 224 . 1 1 21 21 ARG HG2 H 1 1.853 0.020 . 2 . . . . 16 ARG HG2 . 11030 2 225 . 1 1 21 21 ARG HG3 H 1 1.853 0.020 . 2 . . . . 16 ARG HG3 . 11030 2 226 . 1 1 21 21 ARG CD C 13 42.598 0.400 . 1 . . . . 16 ARG CD . 11030 2 227 . 1 1 21 21 ARG HD2 H 1 3.418 0.020 . 2 . . . . 16 ARG HD2 . 11030 2 228 . 1 1 21 21 ARG HD3 H 1 3.291 0.020 . 2 . . . . 16 ARG HD3 . 11030 2 229 . 1 1 21 21 ARG NE N 15 84.463 0.400 . 1 . . . . 16 ARG NE . 11030 2 230 . 1 1 21 21 ARG HE H 1 8.185 0.020 . 1 . . . . 16 ARG HE . 11030 2 231 . 1 1 21 21 ARG CZ C 13 159.351 0.400 . 1 . . . . 16 ARG CZ . 11030 2 232 . 1 1 21 21 ARG HH11 H 1 7.203 0.020 . 2 . . . . 16 ARG HH11 . 11030 2 233 . 1 1 21 21 ARG HH12 H 1 7.203 0.020 . 2 . . . . 16 ARG HH12 . 11030 2 234 . 1 1 21 21 ARG HH21 H 1 6.894 0.020 . 2 . . . . 16 ARG HH21 . 11030 2 235 . 1 1 21 21 ARG HH22 H 1 6.894 0.020 . 2 . . . . 16 ARG HH22 . 11030 2 236 . 1 1 21 21 ARG C C 13 177.095 0.400 . 1 . . . . 16 ARG C . 11030 2 237 . 1 1 22 22 ILE N N 15 120.734 0.400 . 1 . . . . 17 ILE N . 11030 2 238 . 1 1 22 22 ILE H H 1 8.708 0.020 . 1 . . . . 17 ILE H . 11030 2 239 . 1 1 22 22 ILE CA C 13 65.145 0.400 . 1 . . . . 17 ILE CA . 11030 2 240 . 1 1 22 22 ILE HA H 1 3.720 0.020 . 1 . . . . 17 ILE HA . 11030 2 241 . 1 1 22 22 ILE CB C 13 36.857 0.400 . 1 . . . . 17 ILE CB . 11030 2 242 . 1 1 22 22 ILE HB H 1 1.981 0.020 . 1 . . . . 17 ILE HB . 11030 2 243 . 1 1 22 22 ILE HG21 H 1 0.961 0.020 . 1 . . . . 17 ILE HG2 . 11030 2 244 . 1 1 22 22 ILE HG22 H 1 0.961 0.020 . 1 . . . . 17 ILE HG2 . 11030 2 245 . 1 1 22 22 ILE HG23 H 1 0.961 0.020 . 1 . . . . 17 ILE HG2 . 11030 2 246 . 1 1 22 22 ILE CG2 C 13 17.214 0.400 . 1 . . . . 17 ILE CG2 . 11030 2 247 . 1 1 22 22 ILE CG1 C 13 29.187 0.400 . 1 . . . . 17 ILE CG1 . 11030 2 248 . 1 1 22 22 ILE HG12 H 1 1.698 0.020 . 2 . . . . 17 ILE HG12 . 11030 2 249 . 1 1 22 22 ILE HG13 H 1 1.287 0.020 . 2 . . . . 17 ILE HG13 . 11030 2 250 . 1 1 22 22 ILE HD11 H 1 0.969 0.020 . 1 . . . . 17 ILE HD1 . 11030 2 251 . 1 1 22 22 ILE HD12 H 1 0.969 0.020 . 1 . . . . 17 ILE HD1 . 11030 2 252 . 1 1 22 22 ILE HD13 H 1 0.969 0.020 . 1 . . . . 17 ILE HD1 . 11030 2 253 . 1 1 22 22 ILE CD1 C 13 12.082 0.400 . 1 . . . . 17 ILE CD1 . 11030 2 254 . 1 1 22 22 ILE C C 13 176.745 0.400 . 1 . . . . 17 ILE C . 11030 2 255 . 1 1 23 23 LYS N N 15 118.184 0.400 . 1 . . . . 18 LYS N . 11030 2 256 . 1 1 23 23 LYS H H 1 8.267 0.020 . 1 . . . . 18 LYS H . 11030 2 257 . 1 1 23 23 LYS CA C 13 59.829 0.400 . 1 . . . . 18 LYS CA . 11030 2 258 . 1 1 23 23 LYS HA H 1 3.897 0.020 . 1 . . . . 18 LYS HA . 11030 2 259 . 1 1 23 23 LYS CB C 13 32.268 0.400 . 1 . . . . 18 LYS CB . 11030 2 260 . 1 1 23 23 LYS HB2 H 1 1.945 0.020 . 2 . . . . 18 LYS HB2 . 11030 2 261 . 1 1 23 23 LYS HB3 H 1 1.575 0.020 . 2 . . . . 18 LYS HB3 . 11030 2 262 . 1 1 23 23 LYS CG C 13 24.403 0.400 . 1 . . . . 18 LYS CG . 11030 2 263 . 1 1 23 23 LYS HG2 H 1 1.422 0.020 . 2 . . . . 18 LYS HG2 . 11030 2 264 . 1 1 23 23 LYS HG3 H 1 1.422 0.020 . 2 . . . . 18 LYS HG3 . 11030 2 265 . 1 1 23 23 LYS CD C 13 28.822 0.400 . 1 . . . . 18 LYS CD . 11030 2 266 . 1 1 23 23 LYS HD2 H 1 1.625 0.020 . 2 . . . . 18 LYS HD2 . 11030 2 267 . 1 1 23 23 LYS HD3 H 1 1.625 0.020 . 2 . . . . 18 LYS HD3 . 11030 2 268 . 1 1 23 23 LYS CE C 13 41.398 0.400 . 1 . . . . 18 LYS CE . 11030 2 269 . 1 1 23 23 LYS HE2 H 1 2.950 0.020 . 2 . . . . 18 LYS HE2 . 11030 2 270 . 1 1 23 23 LYS HE3 H 1 2.950 0.020 . 2 . . . . 18 LYS HE3 . 11030 2 271 . 1 1 23 23 LYS C C 13 178.159 0.400 . 1 . . . . 18 LYS C . 11030 2 272 . 1 1 24 24 GLU N N 15 117.654 0.400 . 1 . . . . 19 GLU N . 11030 2 273 . 1 1 24 24 GLU H H 1 7.198 0.020 . 1 . . . . 19 GLU H . 11030 2 274 . 1 1 24 24 GLU CA C 13 60.612 0.400 . 1 . . . . 19 GLU CA . 11030 2 275 . 1 1 24 24 GLU HA H 1 4.030 0.020 . 1 . . . . 19 GLU HA . 11030 2 276 . 1 1 24 24 GLU CB C 13 28.859 0.400 . 1 . . . . 19 GLU CB . 11030 2 277 . 1 1 24 24 GLU HB2 H 1 2.049 0.020 . 2 . . . . 19 GLU HB2 . 11030 2 278 . 1 1 24 24 GLU HB3 H 1 2.049 0.020 . 2 . . . . 19 GLU HB3 . 11030 2 279 . 1 1 24 24 GLU CG C 13 38.175 0.400 . 1 . . . . 19 GLU CG . 11030 2 280 . 1 1 24 24 GLU HG2 H 1 2.465 0.020 . 2 . . . . 19 GLU HG2 . 11030 2 281 . 1 1 24 24 GLU HG3 H 1 2.465 0.020 . 2 . . . . 19 GLU HG3 . 11030 2 282 . 1 1 24 24 GLU C C 13 178.521 0.400 . 1 . . . . 19 GLU C . 11030 2 283 . 1 1 25 25 LEU N N 15 119.236 0.400 . 1 . . . . 20 LEU N . 11030 2 284 . 1 1 25 25 LEU H H 1 7.980 0.020 . 1 . . . . 20 LEU H . 11030 2 285 . 1 1 25 25 LEU CA C 13 57.676 0.400 . 1 . . . . 20 LEU CA . 11030 2 286 . 1 1 25 25 LEU HA H 1 3.904 0.020 . 1 . . . . 20 LEU HA . 11030 2 287 . 1 1 25 25 LEU CB C 13 42.218 0.400 . 1 . . . . 20 LEU CB . 11030 2 288 . 1 1 25 25 LEU HD11 H 1 0.875 0.020 . 2 . . . . 20 LEU HD1 . 11030 2 289 . 1 1 25 25 LEU HD12 H 1 0.875 0.020 . 2 . . . . 20 LEU HD1 . 11030 2 290 . 1 1 25 25 LEU HD13 H 1 0.875 0.020 . 2 . . . . 20 LEU HD1 . 11030 2 291 . 1 1 25 25 LEU HD21 H 1 0.875 0.020 . 2 . . . . 20 LEU HD2 . 11030 2 292 . 1 1 25 25 LEU HD22 H 1 0.875 0.020 . 2 . . . . 20 LEU HD2 . 11030 2 293 . 1 1 25 25 LEU HD23 H 1 0.875 0.020 . 2 . . . . 20 LEU HD2 . 11030 2 294 . 1 1 25 25 LEU C C 13 177.990 0.400 . 1 . . . . 20 LEU C . 11030 2 295 . 1 1 26 26 LYS N N 15 117.457 0.400 . 1 . . . . 21 LYS N . 11030 2 296 . 1 1 26 26 LYS H H 1 8.770 0.020 . 1 . . . . 21 LYS H . 11030 2 297 . 1 1 26 26 LYS CA C 13 60.660 0.400 . 1 . . . . 21 LYS CA . 11030 2 298 . 1 1 26 26 LYS HA H 1 3.787 0.020 . 1 . . . . 21 LYS HA . 11030 2 299 . 1 1 26 26 LYS CB C 13 31.876 0.400 . 1 . . . . 21 LYS CB . 11030 2 300 . 1 1 26 26 LYS C C 13 177.625 0.400 . 1 . . . . 21 LYS C . 11030 2 301 . 1 1 27 27 ASP N N 15 119.023 0.400 . 1 . . . . 22 ASP N . 11030 2 302 . 1 1 27 27 ASP H H 1 7.671 0.020 . 1 . . . . 22 ASP H . 11030 2 303 . 1 1 27 27 ASP CA C 13 56.974 0.400 . 1 . . . . 22 ASP CA . 11030 2 304 . 1 1 27 27 ASP HA H 1 4.392 0.020 . 1 . . . . 22 ASP HA . 11030 2 305 . 1 1 27 27 ASP CB C 13 40.250 0.400 . 1 . . . . 22 ASP CB . 11030 2 306 . 1 1 27 27 ASP HB2 H 1 2.834 0.020 . 2 . . . . 22 ASP HB2 . 11030 2 307 . 1 1 27 27 ASP HB3 H 1 2.834 0.020 . 2 . . . . 22 ASP HB3 . 11030 2 308 . 1 1 27 27 ASP C C 13 180.796 0.400 . 1 . . . . 22 ASP C . 11030 2 309 . 1 1 28 28 ILE N N 15 119.318 0.400 . 1 . . . . 23 ILE N . 11030 2 310 . 1 1 28 28 ILE H H 1 8.039 0.020 . 1 . . . . 23 ILE H . 11030 2 311 . 1 1 28 28 ILE CA C 13 65.365 0.400 . 1 . . . . 23 ILE CA . 11030 2 312 . 1 1 28 28 ILE HA H 1 3.587 0.020 . 1 . . . . 23 ILE HA . 11030 2 313 . 1 1 28 28 ILE CB C 13 37.408 0.400 . 1 . . . . 23 ILE CB . 11030 2 314 . 1 1 28 28 ILE HB H 1 1.929 0.020 . 1 . . . . 23 ILE HB . 11030 2 315 . 1 1 28 28 ILE HG21 H 1 0.845 0.020 . 1 . . . . 23 ILE HG2 . 11030 2 316 . 1 1 28 28 ILE HG22 H 1 0.845 0.020 . 1 . . . . 23 ILE HG2 . 11030 2 317 . 1 1 28 28 ILE HG23 H 1 0.845 0.020 . 1 . . . . 23 ILE HG2 . 11030 2 318 . 1 1 28 28 ILE CG2 C 13 17.163 0.400 . 1 . . . . 23 ILE CG2 . 11030 2 319 . 1 1 28 28 ILE CG1 C 13 28.095 0.400 . 1 . . . . 23 ILE CG1 . 11030 2 320 . 1 1 28 28 ILE HG12 H 1 1.774 0.020 . 2 . . . . 23 ILE HG12 . 11030 2 321 . 1 1 28 28 ILE HG13 H 1 1.082 0.020 . 2 . . . . 23 ILE HG13 . 11030 2 322 . 1 1 28 28 ILE HD11 H 1 0.712 0.020 . 1 . . . . 23 ILE HD1 . 11030 2 323 . 1 1 28 28 ILE HD12 H 1 0.712 0.020 . 1 . . . . 23 ILE HD1 . 11030 2 324 . 1 1 28 28 ILE HD13 H 1 0.712 0.020 . 1 . . . . 23 ILE HD1 . 11030 2 325 . 1 1 28 28 ILE CD1 C 13 15.254 0.400 . 1 . . . . 23 ILE CD1 . 11030 2 326 . 1 1 28 28 ILE C C 13 177.265 0.400 . 1 . . . . 23 ILE C . 11030 2 327 . 1 1 29 29 LEU N N 15 120.356 0.400 . 1 . . . . 24 LEU N . 11030 2 328 . 1 1 29 29 LEU H H 1 8.220 0.020 . 1 . . . . 24 LEU H . 11030 2 329 . 1 1 29 29 LEU CA C 13 58.562 0.400 . 1 . . . . 24 LEU CA . 11030 2 330 . 1 1 29 29 LEU HA H 1 3.806 0.020 . 1 . . . . 24 LEU HA . 11030 2 331 . 1 1 29 29 LEU CB C 13 39.477 0.400 . 1 . . . . 24 LEU CB . 11030 2 332 . 1 1 29 29 LEU HD11 H 1 1.773 0.020 . 2 . . . . 24 LEU HD1 . 11030 2 333 . 1 1 29 29 LEU HD12 H 1 1.773 0.020 . 2 . . . . 24 LEU HD1 . 11030 2 334 . 1 1 29 29 LEU HD13 H 1 1.773 0.020 . 2 . . . . 24 LEU HD1 . 11030 2 335 . 1 1 29 29 LEU HD21 H 1 1.741 0.020 . 2 . . . . 24 LEU HD2 . 11030 2 336 . 1 1 29 29 LEU HD22 H 1 1.741 0.020 . 2 . . . . 24 LEU HD2 . 11030 2 337 . 1 1 29 29 LEU HD23 H 1 1.741 0.020 . 2 . . . . 24 LEU HD2 . 11030 2 338 . 1 1 29 29 LEU CD1 C 13 23.979 0.400 . 1 . . . . 24 LEU CD1 . 11030 2 339 . 1 1 29 29 LEU C C 13 178.572 0.400 . 1 . . . . 24 LEU C . 11030 2 340 . 1 1 30 30 ASN N N 15 117.446 0.400 . 1 . . . . 25 ASN N . 11030 2 341 . 1 1 30 30 ASN H H 1 8.688 0.020 . 1 . . . . 25 ASN H . 11030 2 342 . 1 1 30 30 ASN CA C 13 56.092 0.400 . 1 . . . . 25 ASN CA . 11030 2 343 . 1 1 30 30 ASN HA H 1 4.493 0.020 . 1 . . . . 25 ASN HA . 11030 2 344 . 1 1 30 30 ASN CB C 13 38.809 0.400 . 1 . . . . 25 ASN CB . 11030 2 345 . 1 1 30 30 ASN HB2 H 1 2.914 0.020 . 2 . . . . 25 ASN HB2 . 11030 2 346 . 1 1 30 30 ASN HB3 H 1 3.093 0.020 . 2 . . . . 25 ASN HB3 . 11030 2 347 . 1 1 30 30 ASN CG C 13 175.851 0.400 . 1 . . . . 25 ASN CG . 11030 2 348 . 1 1 30 30 ASN ND2 N 15 114.908 0.400 . 1 . . . . 25 ASN ND2 . 11030 2 349 . 1 1 30 30 ASN HD21 H 1 7.934 0.020 . 2 . . . . 25 ASN HD21 . 11030 2 350 . 1 1 30 30 ASN HD22 H 1 7.051 0.020 . 2 . . . . 25 ASN HD22 . 11030 2 351 . 1 1 30 30 ASN C C 13 178.884 0.400 . 1 . . . . 25 ASN C . 11030 2 352 . 1 1 31 31 GLN N N 15 119.946 0.400 . 1 . . . . 26 GLN N . 11030 2 353 . 1 1 31 31 GLN H H 1 8.184 0.020 . 1 . . . . 26 GLN H . 11030 2 354 . 1 1 31 31 GLN CA C 13 58.786 0.400 . 1 . . . . 26 GLN CA . 11030 2 355 . 1 1 31 31 GLN HA H 1 4.041 0.020 . 1 . . . . 26 GLN HA . 11030 2 356 . 1 1 31 31 GLN CB C 13 29.089 0.400 . 1 . . . . 26 GLN CB . 11030 2 357 . 1 1 31 31 GLN HB2 H 1 2.300 0.020 . 2 . . . . 26 GLN HB2 . 11030 2 358 . 1 1 31 31 GLN HB3 H 1 2.173 0.020 . 2 . . . . 26 GLN HB3 . 11030 2 359 . 1 1 31 31 GLN CG C 13 34.499 0.400 . 1 . . . . 26 GLN CG . 11030 2 360 . 1 1 31 31 GLN HG2 H 1 2.309 0.020 . 2 . . . . 26 GLN HG2 . 11030 2 361 . 1 1 31 31 GLN HG3 H 1 2.627 0.020 . 2 . . . . 26 GLN HG3 . 11030 2 362 . 1 1 31 31 GLN CD C 13 179.101 0.400 . 1 . . . . 26 GLN CD . 11030 2 363 . 1 1 31 31 GLN NE2 N 15 111.666 0.400 . 1 . . . . 26 GLN NE2 . 11030 2 364 . 1 1 31 31 GLN HE21 H 1 7.238 0.020 . 2 . . . . 26 GLN HE21 . 11030 2 365 . 1 1 31 31 GLN HE22 H 1 6.847 0.020 . 2 . . . . 26 GLN HE22 . 11030 2 366 . 1 1 31 31 GLN C C 13 177.656 0.400 . 1 . . . . 26 GLN C . 11030 2 367 . 1 1 32 32 LEU N N 15 116.979 0.400 . 1 . . . . 27 LEU N . 11030 2 368 . 1 1 32 32 LEU H H 1 7.893 0.020 . 1 . . . . 27 LEU H . 11030 2 369 . 1 1 32 32 LEU CA C 13 54.545 0.400 . 1 . . . . 27 LEU CA . 11030 2 370 . 1 1 32 32 LEU HA H 1 4.227 0.020 . 1 . . . . 27 LEU HA . 11030 2 371 . 1 1 32 32 LEU CB C 13 42.063 0.400 . 1 . . . . 27 LEU CB . 11030 2 372 . 1 1 32 32 LEU HB2 H 1 2.018 0.020 . 2 . . . . 27 LEU HB2 . 11030 2 373 . 1 1 32 32 LEU HB3 H 1 2.018 0.020 . 2 . . . . 27 LEU HB3 . 11030 2 374 . 1 1 32 32 LEU HG H 1 1.782 0.020 . 1 . . . . 27 LEU HG . 11030 2 375 . 1 1 32 32 LEU HD11 H 1 0.898 0.020 . 2 . . . . 27 LEU HD1 . 11030 2 376 . 1 1 32 32 LEU HD12 H 1 0.898 0.020 . 2 . . . . 27 LEU HD1 . 11030 2 377 . 1 1 32 32 LEU HD13 H 1 0.898 0.020 . 2 . . . . 27 LEU HD1 . 11030 2 378 . 1 1 32 32 LEU HD21 H 1 0.783 0.020 . 2 . . . . 27 LEU HD2 . 11030 2 379 . 1 1 32 32 LEU HD22 H 1 0.783 0.020 . 2 . . . . 27 LEU HD2 . 11030 2 380 . 1 1 32 32 LEU HD23 H 1 0.783 0.020 . 2 . . . . 27 LEU HD2 . 11030 2 381 . 1 1 32 32 LEU CD1 C 13 26.577 0.400 . 1 . . . . 27 LEU CD1 . 11030 2 382 . 1 1 32 32 LEU C C 13 175.733 0.400 . 1 . . . . 27 LEU C . 11030 2 383 . 1 1 33 33 GLY N N 15 108.299 0.400 . 1 . . . . 28 GLY N . 11030 2 384 . 1 1 33 33 GLY H H 1 7.834 0.020 . 1 . . . . 28 GLY H . 11030 2 385 . 1 1 33 33 GLY CA C 13 45.707 0.400 . 1 . . . . 28 GLY CA . 11030 2 386 . 1 1 33 33 GLY HA2 H 1 3.952 0.020 . 2 . . . . 28 GLY HA2 . 11030 2 387 . 1 1 33 33 GLY HA3 H 1 3.952 0.020 . 2 . . . . 28 GLY HA3 . 11030 2 388 . 1 1 33 33 GLY C C 13 174.317 0.400 . 1 . . . . 28 GLY C . 11030 2 389 . 1 1 34 34 LEU N N 15 120.833 0.400 . 1 . . . . 29 LEU N . 11030 2 390 . 1 1 34 34 LEU H H 1 7.986 0.020 . 1 . . . . 29 LEU H . 11030 2 391 . 1 1 34 34 LEU CA C 13 51.558 0.400 . 1 . . . . 29 LEU CA . 11030 2 392 . 1 1 34 34 LEU HA H 1 4.744 0.020 . 1 . . . . 29 LEU HA . 11030 2 393 . 1 1 34 34 LEU CB C 13 43.525 0.400 . 1 . . . . 29 LEU CB . 11030 2 394 . 1 1 34 34 LEU HB2 H 1 1.255 0.020 . 2 . . . . 29 LEU HB2 . 11030 2 395 . 1 1 34 34 LEU HB3 H 1 1.255 0.020 . 2 . . . . 29 LEU HB3 . 11030 2 396 . 1 1 34 34 LEU HD11 H 1 0.768 0.020 . 2 . . . . 29 LEU HD1 . 11030 2 397 . 1 1 34 34 LEU HD12 H 1 0.768 0.020 . 2 . . . . 29 LEU HD1 . 11030 2 398 . 1 1 34 34 LEU HD13 H 1 0.768 0.020 . 2 . . . . 29 LEU HD1 . 11030 2 399 . 1 1 34 34 LEU HD21 H 1 0.785 0.020 . 2 . . . . 29 LEU HD2 . 11030 2 400 . 1 1 34 34 LEU HD22 H 1 0.785 0.020 . 2 . . . . 29 LEU HD2 . 11030 2 401 . 1 1 34 34 LEU HD23 H 1 0.785 0.020 . 2 . . . . 29 LEU HD2 . 11030 2 402 . 1 1 34 34 LEU CD1 C 13 24.404 0.400 . 1 . . . . 29 LEU CD1 . 11030 2 403 . 1 1 34 34 LEU CD2 C 13 22.409 0.400 . 1 . . . . 29 LEU CD2 . 11030 2 404 . 1 1 35 35 PRO CD C 13 50.388 0.400 . 1 . . . . 30 PRO CD . 11030 2 405 . 1 1 35 35 PRO CA C 13 62.707 0.400 . 1 . . . . 30 PRO CA . 11030 2 406 . 1 1 35 35 PRO HA H 1 4.351 0.020 . 1 . . . . 30 PRO HA . 11030 2 407 . 1 1 35 35 PRO CB C 13 31.919 0.400 . 1 . . . . 30 PRO CB . 11030 2 408 . 1 1 35 35 PRO HB2 H 1 2.404 0.020 . 2 . . . . 30 PRO HB2 . 11030 2 409 . 1 1 35 35 PRO HB3 H 1 2.404 0.020 . 2 . . . . 30 PRO HB3 . 11030 2 410 . 1 1 35 35 PRO CG C 13 27.349 0.400 . 1 . . . . 30 PRO CG . 11030 2 411 . 1 1 35 35 PRO HG2 H 1 1.919 0.020 . 2 . . . . 30 PRO HG2 . 11030 2 412 . 1 1 35 35 PRO HG3 H 1 1.919 0.020 . 2 . . . . 30 PRO HG3 . 11030 2 413 . 1 1 35 35 PRO HD2 H 1 3.360 0.020 . 2 . . . . 30 PRO HD2 . 11030 2 414 . 1 1 35 35 PRO HD3 H 1 3.360 0.020 . 2 . . . . 30 PRO HD3 . 11030 2 415 . 1 1 35 35 PRO C C 13 177.488 0.400 . 1 . . . . 30 PRO C . 11030 2 416 . 1 1 36 36 LYS N N 15 117.590 0.400 . 1 . . . . 31 LYS N . 11030 2 417 . 1 1 36 36 LYS H H 1 8.380 0.020 . 1 . . . . 31 LYS H . 11030 2 418 . 1 1 36 36 LYS CA C 13 55.660 0.400 . 1 . . . . 31 LYS CA . 11030 2 419 . 1 1 36 36 LYS HA H 1 4.286 0.020 . 1 . . . . 31 LYS HA . 11030 2 420 . 1 1 36 36 LYS CB C 13 33.239 0.400 . 1 . . . . 31 LYS CB . 11030 2 421 . 1 1 36 36 LYS HB2 H 1 1.791 0.020 . 2 . . . . 31 LYS HB2 . 11030 2 422 . 1 1 36 36 LYS HB3 H 1 1.791 0.020 . 2 . . . . 31 LYS HB3 . 11030 2 423 . 1 1 36 36 LYS CG C 13 24.026 0.400 . 1 . . . . 31 LYS CG . 11030 2 424 . 1 1 36 36 LYS HG2 H 1 1.457 0.020 . 2 . . . . 31 LYS HG2 . 11030 2 425 . 1 1 36 36 LYS HG3 H 1 1.457 0.020 . 2 . . . . 31 LYS HG3 . 11030 2 426 . 1 1 36 36 LYS CD C 13 29.355 0.400 . 1 . . . . 31 LYS CD . 11030 2 427 . 1 1 36 36 LYS CE C 13 41.254 0.400 . 1 . . . . 31 LYS CE . 11030 2 428 . 1 1 36 36 LYS HE2 H 1 2.997 0.020 . 2 . . . . 31 LYS HE2 . 11030 2 429 . 1 1 36 36 LYS HE3 H 1 2.997 0.020 . 2 . . . . 31 LYS HE3 . 11030 2 430 . 1 1 36 36 LYS C C 13 174.384 0.400 . 1 . . . . 31 LYS C . 11030 2 431 . 1 1 37 37 GLN N N 15 118.260 0.400 . 1 . . . . 32 GLN N . 11030 2 432 . 1 1 37 37 GLN H H 1 7.698 0.020 . 1 . . . . 32 GLN H . 11030 2 433 . 1 1 37 37 GLN CA C 13 55.550 0.400 . 1 . . . . 32 GLN CA . 11030 2 434 . 1 1 37 37 GLN HA H 1 4.376 0.020 . 1 . . . . 32 GLN HA . 11030 2 435 . 1 1 37 37 GLN CB C 13 28.221 0.400 . 1 . . . . 32 GLN CB . 11030 2 436 . 1 1 37 37 GLN HB2 H 1 2.050 0.020 . 2 . . . . 32 GLN HB2 . 11030 2 437 . 1 1 37 37 GLN HB3 H 1 2.050 0.020 . 2 . . . . 32 GLN HB3 . 11030 2 438 . 1 1 37 37 GLN CG C 13 33.097 0.400 . 1 . . . . 32 GLN CG . 11030 2 439 . 1 1 37 37 GLN HG2 H 1 2.398 0.020 . 2 . . . . 32 GLN HG2 . 11030 2 440 . 1 1 37 37 GLN HG3 H 1 2.398 0.020 . 2 . . . . 32 GLN HG3 . 11030 2 441 . 1 1 37 37 GLN CD C 13 180.043 0.400 . 1 . . . . 32 GLN CD . 11030 2 442 . 1 1 37 37 GLN NE2 N 15 112.005 0.400 . 1 . . . . 32 GLN NE2 . 11030 2 443 . 1 1 37 37 GLN HE21 H 1 7.586 0.020 . 2 . . . . 32 GLN HE21 . 11030 2 444 . 1 1 37 37 GLN HE22 H 1 6.918 0.020 . 2 . . . . 32 GLN HE22 . 11030 2 445 . 1 1 37 37 GLN C C 13 175.222 0.400 . 1 . . . . 32 GLN C . 11030 2 446 . 1 1 38 38 GLY N N 15 109.855 0.400 . 1 . . . . 33 GLY N . 11030 2 447 . 1 1 38 38 GLY H H 1 8.449 0.020 . 1 . . . . 33 GLY H . 11030 2 448 . 1 1 38 38 GLY CA C 13 43.235 0.400 . 1 . . . . 33 GLY CA . 11030 2 449 . 1 1 38 38 GLY HA2 H 1 4.566 0.020 . 2 . . . . 33 GLY HA2 . 11030 2 450 . 1 1 38 38 GLY HA3 H 1 3.789 0.020 . 2 . . . . 33 GLY HA3 . 11030 2 451 . 1 1 38 38 GLY C C 13 173.603 0.400 . 1 . . . . 33 GLY C . 11030 2 452 . 1 1 39 39 LYS N N 15 117.627 0.400 . 1 . . . . 34 LYS N . 11030 2 453 . 1 1 39 39 LYS H H 1 8.649 0.020 . 1 . . . . 34 LYS H . 11030 2 454 . 1 1 39 39 LYS CA C 13 54.563 0.400 . 1 . . . . 34 LYS CA . 11030 2 455 . 1 1 39 39 LYS HA H 1 4.394 0.020 . 1 . . . . 34 LYS HA . 11030 2 456 . 1 1 39 39 LYS CB C 13 32.892 0.400 . 1 . . . . 34 LYS CB . 11030 2 457 . 1 1 39 39 LYS HB2 H 1 1.734 0.020 . 2 . . . . 34 LYS HB2 . 11030 2 458 . 1 1 39 39 LYS HB3 H 1 1.734 0.020 . 2 . . . . 34 LYS HB3 . 11030 2 459 . 1 1 39 39 LYS CG C 13 24.838 0.400 . 1 . . . . 34 LYS CG . 11030 2 460 . 1 1 39 39 LYS HG2 H 1 1.489 0.020 . 2 . . . . 34 LYS HG2 . 11030 2 461 . 1 1 39 39 LYS HG3 H 1 1.489 0.020 . 2 . . . . 34 LYS HG3 . 11030 2 462 . 1 1 39 39 LYS CD C 13 28.409 0.400 . 1 . . . . 34 LYS CD . 11030 2 463 . 1 1 39 39 LYS HD2 H 1 1.725 0.020 . 2 . . . . 34 LYS HD2 . 11030 2 464 . 1 1 39 39 LYS HD3 H 1 1.725 0.020 . 2 . . . . 34 LYS HD3 . 11030 2 465 . 1 1 39 39 LYS CE C 13 39.912 0.400 . 1 . . . . 34 LYS CE . 11030 2 466 . 1 1 39 39 LYS HE2 H 1 2.987 0.020 . 2 . . . . 34 LYS HE2 . 11030 2 467 . 1 1 39 39 LYS HE3 H 1 2.987 0.020 . 2 . . . . 34 LYS HE3 . 11030 2 468 . 1 1 39 39 LYS C C 13 176.803 0.400 . 1 . . . . 34 LYS C . 11030 2 469 . 1 1 40 40 LYS N N 15 121.705 0.400 . 1 . . . . 35 LYS N . 11030 2 470 . 1 1 40 40 LYS H H 1 8.920 0.020 . 1 . . . . 35 LYS H . 11030 2 471 . 1 1 40 40 LYS CA C 13 61.559 0.400 . 1 . . . . 35 LYS CA . 11030 2 472 . 1 1 40 40 LYS HA H 1 3.597 0.020 . 1 . . . . 35 LYS HA . 11030 2 473 . 1 1 40 40 LYS CB C 13 31.953 0.400 . 1 . . . . 35 LYS CB . 11030 2 474 . 1 1 40 40 LYS HB2 H 1 1.765 0.020 . 2 . . . . 35 LYS HB2 . 11030 2 475 . 1 1 40 40 LYS HB3 H 1 1.861 0.020 . 2 . . . . 35 LYS HB3 . 11030 2 476 . 1 1 40 40 LYS CG C 13 24.713 0.400 . 1 . . . . 35 LYS CG . 11030 2 477 . 1 1 40 40 LYS HG2 H 1 1.189 0.020 . 2 . . . . 35 LYS HG2 . 11030 2 478 . 1 1 40 40 LYS HG3 H 1 1.189 0.020 . 2 . . . . 35 LYS HG3 . 11030 2 479 . 1 1 40 40 LYS CD C 13 29.265 0.400 . 1 . . . . 35 LYS CD . 11030 2 480 . 1 1 40 40 LYS HD2 H 1 1.709 0.020 . 2 . . . . 35 LYS HD2 . 11030 2 481 . 1 1 40 40 LYS HD3 H 1 1.709 0.020 . 2 . . . . 35 LYS HD3 . 11030 2 482 . 1 1 40 40 LYS CE C 13 41.651 0.400 . 1 . . . . 35 LYS CE . 11030 2 483 . 1 1 40 40 LYS HE2 H 1 2.994 0.020 . 2 . . . . 35 LYS HE2 . 11030 2 484 . 1 1 40 40 LYS HE3 H 1 2.994 0.020 . 2 . . . . 35 LYS HE3 . 11030 2 485 . 1 1 40 40 LYS C C 13 177.362 0.400 . 1 . . . . 35 LYS C . 11030 2 486 . 1 1 41 41 GLN N N 15 114.637 0.400 . 1 . . . . 36 GLN N . 11030 2 487 . 1 1 41 41 GLN H H 1 9.017 0.020 . 1 . . . . 36 GLN H . 11030 2 488 . 1 1 41 41 GLN CA C 13 57.638 0.400 . 1 . . . . 36 GLN CA . 11030 2 489 . 1 1 41 41 GLN HA H 1 3.719 0.020 . 1 . . . . 36 GLN HA . 11030 2 490 . 1 1 41 41 GLN CB C 13 27.865 0.400 . 1 . . . . 36 GLN CB . 11030 2 491 . 1 1 41 41 GLN HB2 H 1 2.125 0.020 . 2 . . . . 36 GLN HB2 . 11030 2 492 . 1 1 41 41 GLN HB3 H 1 1.803 0.020 . 2 . . . . 36 GLN HB3 . 11030 2 493 . 1 1 41 41 GLN CG C 13 33.062 0.400 . 1 . . . . 36 GLN CG . 11030 2 494 . 1 1 41 41 GLN HG2 H 1 2.472 0.020 . 2 . . . . 36 GLN HG2 . 11030 2 495 . 1 1 41 41 GLN HG3 H 1 2.351 0.020 . 2 . . . . 36 GLN HG3 . 11030 2 496 . 1 1 41 41 GLN CD C 13 180.016 0.400 . 1 . . . . 36 GLN CD . 11030 2 497 . 1 1 41 41 GLN NE2 N 15 116.890 0.400 . 1 . . . . 36 GLN NE2 . 11030 2 498 . 1 1 41 41 GLN HE21 H 1 8.064 0.020 . 2 . . . . 36 GLN HE21 . 11030 2 499 . 1 1 41 41 GLN HE22 H 1 6.908 0.020 . 2 . . . . 36 GLN HE22 . 11030 2 500 . 1 1 41 41 GLN C C 13 176.975 0.400 . 1 . . . . 36 GLN C . 11030 2 501 . 1 1 42 42 ASP N N 15 115.984 0.400 . 1 . . . . 37 ASP N . 11030 2 502 . 1 1 42 42 ASP H H 1 7.049 0.020 . 1 . . . . 37 ASP H . 11030 2 503 . 1 1 42 42 ASP CA C 13 56.424 0.400 . 1 . . . . 37 ASP CA . 11030 2 504 . 1 1 42 42 ASP HA H 1 4.303 0.020 . 1 . . . . 37 ASP HA . 11030 2 505 . 1 1 42 42 ASP CB C 13 39.955 0.400 . 1 . . . . 37 ASP CB . 11030 2 506 . 1 1 42 42 ASP HB2 H 1 2.973 0.020 . 2 . . . . 37 ASP HB2 . 11030 2 507 . 1 1 42 42 ASP HB3 H 1 2.676 0.020 . 2 . . . . 37 ASP HB3 . 11030 2 508 . 1 1 42 42 ASP C C 13 178.454 0.400 . 1 . . . . 37 ASP C . 11030 2 509 . 1 1 43 43 LEU N N 15 119.074 0.400 . 1 . . . . 38 LEU N . 11030 2 510 . 1 1 43 43 LEU H H 1 7.725 0.020 . 1 . . . . 38 LEU H . 11030 2 511 . 1 1 43 43 LEU CA C 13 57.716 0.400 . 1 . . . . 38 LEU CA . 11030 2 512 . 1 1 43 43 LEU HA H 1 3.794 0.020 . 1 . . . . 38 LEU HA . 11030 2 513 . 1 1 43 43 LEU CB C 13 40.211 0.400 . 1 . . . . 38 LEU CB . 11030 2 514 . 1 1 43 43 LEU HB2 H 1 2.089 0.020 . 2 . . . . 38 LEU HB2 . 11030 2 515 . 1 1 43 43 LEU HB3 H 1 1.269 0.020 . 2 . . . . 38 LEU HB3 . 11030 2 516 . 1 1 43 43 LEU CG C 13 26.216 0.400 . 1 . . . . 38 LEU CG . 11030 2 517 . 1 1 43 43 LEU HG H 1 1.718 0.020 . 1 . . . . 38 LEU HG . 11030 2 518 . 1 1 43 43 LEU HD11 H 1 0.716 0.020 . 2 . . . . 38 LEU HD1 . 11030 2 519 . 1 1 43 43 LEU HD12 H 1 0.716 0.020 . 2 . . . . 38 LEU HD1 . 11030 2 520 . 1 1 43 43 LEU HD13 H 1 0.716 0.020 . 2 . . . . 38 LEU HD1 . 11030 2 521 . 1 1 43 43 LEU HD21 H 1 0.371 0.020 . 2 . . . . 38 LEU HD2 . 11030 2 522 . 1 1 43 43 LEU HD22 H 1 0.371 0.020 . 2 . . . . 38 LEU HD2 . 11030 2 523 . 1 1 43 43 LEU HD23 H 1 0.371 0.020 . 2 . . . . 38 LEU HD2 . 11030 2 524 . 1 1 43 43 LEU CD1 C 13 26.062 0.400 . 1 . . . . 38 LEU CD1 . 11030 2 525 . 1 1 43 43 LEU CD2 C 13 21.205 0.400 . 1 . . . . 38 LEU CD2 . 11030 2 526 . 1 1 43 43 LEU C C 13 177.872 0.400 . 1 . . . . 38 LEU C . 11030 2 527 . 1 1 44 44 ILE N N 15 118.343 0.400 . 1 . . . . 39 ILE N . 11030 2 528 . 1 1 44 44 ILE H H 1 7.867 0.020 . 1 . . . . 39 ILE H . 11030 2 529 . 1 1 44 44 ILE CA C 13 66.211 0.400 . 1 . . . . 39 ILE CA . 11030 2 530 . 1 1 44 44 ILE HA H 1 3.319 0.020 . 1 . . . . 39 ILE HA . 11030 2 531 . 1 1 44 44 ILE CB C 13 37.985 0.400 . 1 . . . . 39 ILE CB . 11030 2 532 . 1 1 44 44 ILE HB H 1 1.793 0.020 . 1 . . . . 39 ILE HB . 11030 2 533 . 1 1 44 44 ILE HG21 H 1 0.847 0.020 . 1 . . . . 39 ILE HG2 . 11030 2 534 . 1 1 44 44 ILE HG22 H 1 0.847 0.020 . 1 . . . . 39 ILE HG2 . 11030 2 535 . 1 1 44 44 ILE HG23 H 1 0.847 0.020 . 1 . . . . 39 ILE HG2 . 11030 2 536 . 1 1 44 44 ILE CG2 C 13 16.202 0.400 . 1 . . . . 39 ILE CG2 . 11030 2 537 . 1 1 44 44 ILE HD11 H 1 0.750 0.020 . 1 . . . . 39 ILE HD1 . 11030 2 538 . 1 1 44 44 ILE HD12 H 1 0.750 0.020 . 1 . . . . 39 ILE HD1 . 11030 2 539 . 1 1 44 44 ILE HD13 H 1 0.750 0.020 . 1 . . . . 39 ILE HD1 . 11030 2 540 . 1 1 44 44 ILE CD1 C 13 13.332 0.400 . 1 . . . . 39 ILE CD1 . 11030 2 541 . 1 1 44 44 ILE C C 13 177.711 0.400 . 1 . . . . 39 ILE C . 11030 2 542 . 1 1 45 45 ASP N N 15 118.535 0.400 . 1 . . . . 40 ASP N . 11030 2 543 . 1 1 45 45 ASP H H 1 8.503 0.020 . 1 . . . . 40 ASP H . 11030 2 544 . 1 1 45 45 ASP CA C 13 56.817 0.400 . 1 . . . . 40 ASP CA . 11030 2 545 . 1 1 45 45 ASP HA H 1 4.256 0.020 . 1 . . . . 40 ASP HA . 11030 2 546 . 1 1 45 45 ASP CB C 13 39.815 0.400 . 1 . . . . 40 ASP CB . 11030 2 547 . 1 1 45 45 ASP HB2 H 1 2.614 0.020 . 2 . . . . 40 ASP HB2 . 11030 2 548 . 1 1 45 45 ASP HB3 H 1 2.787 0.020 . 2 . . . . 40 ASP HB3 . 11030 2 549 . 1 1 45 45 ASP C C 13 178.464 0.400 . 1 . . . . 40 ASP C . 11030 2 550 . 1 1 46 46 ARG N N 15 120.910 0.400 . 1 . . . . 41 ARG N . 11030 2 551 . 1 1 46 46 ARG H H 1 7.717 0.020 . 1 . . . . 41 ARG H . 11030 2 552 . 1 1 46 46 ARG CA C 13 59.054 0.400 . 1 . . . . 41 ARG CA . 11030 2 553 . 1 1 46 46 ARG HA H 1 3.993 0.020 . 1 . . . . 41 ARG HA . 11030 2 554 . 1 1 46 46 ARG CB C 13 29.778 0.400 . 1 . . . . 41 ARG CB . 11030 2 555 . 1 1 46 46 ARG HB2 H 1 2.086 0.020 . 2 . . . . 41 ARG HB2 . 11030 2 556 . 1 1 46 46 ARG HB3 H 1 2.086 0.020 . 2 . . . . 41 ARG HB3 . 11030 2 557 . 1 1 46 46 ARG CG C 13 27.773 0.400 . 1 . . . . 41 ARG CG . 11030 2 558 . 1 1 46 46 ARG HG2 H 1 1.806 0.020 . 2 . . . . 41 ARG HG2 . 11030 2 559 . 1 1 46 46 ARG HG3 H 1 1.806 0.020 . 2 . . . . 41 ARG HG3 . 11030 2 560 . 1 1 46 46 ARG CD C 13 43.916 0.400 . 1 . . . . 41 ARG CD . 11030 2 561 . 1 1 46 46 ARG NE N 15 84.467 0.400 . 1 . . . . 41 ARG NE . 11030 2 562 . 1 1 46 46 ARG HE H 1 7.278 0.020 . 1 . . . . 41 ARG HE . 11030 2 563 . 1 1 46 46 ARG C C 13 177.565 0.400 . 1 . . . . 41 ARG C . 11030 2 564 . 1 1 47 47 VAL N N 15 117.438 0.400 . 1 . . . . 42 VAL N . 11030 2 565 . 1 1 47 47 VAL H H 1 7.445 0.020 . 1 . . . . 42 VAL H . 11030 2 566 . 1 1 47 47 VAL CA C 13 66.095 0.400 . 1 . . . . 42 VAL CA . 11030 2 567 . 1 1 47 47 VAL HA H 1 3.446 0.020 . 1 . . . . 42 VAL HA . 11030 2 568 . 1 1 47 47 VAL CB C 13 31.113 0.400 . 1 . . . . 42 VAL CB . 11030 2 569 . 1 1 47 47 VAL HB H 1 2.106 0.020 . 1 . . . . 42 VAL HB . 11030 2 570 . 1 1 47 47 VAL HG11 H 1 0.675 0.020 . 2 . . . . 42 VAL HG1 . 11030 2 571 . 1 1 47 47 VAL HG12 H 1 0.675 0.020 . 2 . . . . 42 VAL HG1 . 11030 2 572 . 1 1 47 47 VAL HG13 H 1 0.675 0.020 . 2 . . . . 42 VAL HG1 . 11030 2 573 . 1 1 47 47 VAL HG21 H 1 0.894 0.020 . 2 . . . . 42 VAL HG2 . 11030 2 574 . 1 1 47 47 VAL HG22 H 1 0.894 0.020 . 2 . . . . 42 VAL HG2 . 11030 2 575 . 1 1 47 47 VAL HG23 H 1 0.894 0.020 . 2 . . . . 42 VAL HG2 . 11030 2 576 . 1 1 47 47 VAL CG1 C 13 21.460 0.400 . 1 . . . . 42 VAL CG1 . 11030 2 577 . 1 1 47 47 VAL CG2 C 13 22.323 0.400 . 1 . . . . 42 VAL CG2 . 11030 2 578 . 1 1 47 47 VAL C C 13 177.710 0.400 . 1 . . . . 42 VAL C . 11030 2 579 . 1 1 48 48 LEU N N 15 117.085 0.400 . 1 . . . . 43 LEU N . 11030 2 580 . 1 1 48 48 LEU H H 1 8.466 0.020 . 1 . . . . 43 LEU H . 11030 2 581 . 1 1 48 48 LEU CA C 13 57.406 0.400 . 1 . . . . 43 LEU CA . 11030 2 582 . 1 1 48 48 LEU HA H 1 3.851 0.020 . 1 . . . . 43 LEU HA . 11030 2 583 . 1 1 48 48 LEU CB C 13 40.779 0.400 . 1 . . . . 43 LEU CB . 11030 2 584 . 1 1 48 48 LEU HB2 H 1 1.800 0.020 . 2 . . . . 43 LEU HB2 . 11030 2 585 . 1 1 48 48 LEU HB3 H 1 1.436 0.020 . 2 . . . . 43 LEU HB3 . 11030 2 586 . 1 1 48 48 LEU CG C 13 26.036 0.400 . 1 . . . . 43 LEU CG . 11030 2 587 . 1 1 48 48 LEU HG H 1 1.727 0.020 . 1 . . . . 43 LEU HG . 11030 2 588 . 1 1 48 48 LEU HD11 H 1 0.845 0.020 . 2 . . . . 43 LEU HD1 . 11030 2 589 . 1 1 48 48 LEU HD12 H 1 0.845 0.020 . 2 . . . . 43 LEU HD1 . 11030 2 590 . 1 1 48 48 LEU HD13 H 1 0.845 0.020 . 2 . . . . 43 LEU HD1 . 11030 2 591 . 1 1 48 48 LEU HD21 H 1 0.708 0.020 . 2 . . . . 43 LEU HD2 . 11030 2 592 . 1 1 48 48 LEU HD22 H 1 0.708 0.020 . 2 . . . . 43 LEU HD2 . 11030 2 593 . 1 1 48 48 LEU HD23 H 1 0.708 0.020 . 2 . . . . 43 LEU HD2 . 11030 2 594 . 1 1 48 48 LEU CD1 C 13 22.809 0.400 . 1 . . . . 43 LEU CD1 . 11030 2 595 . 1 1 48 48 LEU CD2 C 13 21.561 0.400 . 1 . . . . 43 LEU CD2 . 11030 2 596 . 1 1 48 48 LEU C C 13 179.581 0.400 . 1 . . . . 43 LEU C . 11030 2 597 . 1 1 49 49 ALA N N 15 120.480 0.400 . 1 . . . . 44 ALA N . 11030 2 598 . 1 1 49 49 ALA H H 1 7.952 0.020 . 1 . . . . 44 ALA H . 11030 2 599 . 1 1 49 49 ALA CA C 13 53.998 0.400 . 1 . . . . 44 ALA CA . 11030 2 600 . 1 1 49 49 ALA HA H 1 4.104 0.020 . 1 . . . . 44 ALA HA . 11030 2 601 . 1 1 49 49 ALA HB1 H 1 1.469 0.020 . 1 . . . . 44 ALA HB . 11030 2 602 . 1 1 49 49 ALA HB2 H 1 1.469 0.020 . 1 . . . . 44 ALA HB . 11030 2 603 . 1 1 49 49 ALA HB3 H 1 1.469 0.020 . 1 . . . . 44 ALA HB . 11030 2 604 . 1 1 49 49 ALA CB C 13 17.685 0.400 . 1 . . . . 44 ALA CB . 11030 2 605 . 1 1 49 49 ALA C C 13 178.926 0.400 . 1 . . . . 44 ALA C . 11030 2 606 . 1 1 50 50 LEU N N 15 115.306 0.400 . 1 . . . . 45 LEU N . 11030 2 607 . 1 1 50 50 LEU H H 1 7.428 0.020 . 1 . . . . 45 LEU H . 11030 2 608 . 1 1 50 50 LEU CA C 13 55.650 0.400 . 1 . . . . 45 LEU CA . 11030 2 609 . 1 1 50 50 LEU HA H 1 4.206 0.020 . 1 . . . . 45 LEU HA . 11030 2 610 . 1 1 50 50 LEU CB C 13 41.937 0.400 . 1 . . . . 45 LEU CB . 11030 2 611 . 1 1 50 50 LEU HB2 H 1 1.993 0.020 . 2 . . . . 45 LEU HB2 . 11030 2 612 . 1 1 50 50 LEU HB3 H 1 1.993 0.020 . 2 . . . . 45 LEU HB3 . 11030 2 613 . 1 1 50 50 LEU CG C 13 26.560 0.400 . 1 . . . . 45 LEU CG . 11030 2 614 . 1 1 50 50 LEU HG H 1 1.614 0.020 . 1 . . . . 45 LEU HG . 11030 2 615 . 1 1 50 50 LEU HD11 H 1 0.921 0.020 . 2 . . . . 45 LEU HD1 . 11030 2 616 . 1 1 50 50 LEU HD12 H 1 0.921 0.020 . 2 . . . . 45 LEU HD1 . 11030 2 617 . 1 1 50 50 LEU HD13 H 1 0.921 0.020 . 2 . . . . 45 LEU HD1 . 11030 2 618 . 1 1 50 50 LEU HD21 H 1 0.789 0.020 . 2 . . . . 45 LEU HD2 . 11030 2 619 . 1 1 50 50 LEU HD22 H 1 0.789 0.020 . 2 . . . . 45 LEU HD2 . 11030 2 620 . 1 1 50 50 LEU HD23 H 1 0.789 0.020 . 2 . . . . 45 LEU HD2 . 11030 2 621 . 1 1 50 50 LEU CD1 C 13 21.067 0.400 . 1 . . . . 45 LEU CD1 . 11030 2 622 . 1 1 50 50 LEU CD2 C 13 22.850 0.400 . 1 . . . . 45 LEU CD2 . 11030 2 623 . 1 1 50 50 LEU C C 13 177.840 0.400 . 1 . . . . 45 LEU C . 11030 2 624 . 1 1 51 51 LEU N N 15 115.880 0.400 . 1 . . . . 46 LEU N . 11030 2 625 . 1 1 51 51 LEU H H 1 7.642 0.020 . 1 . . . . 46 LEU H . 11030 2 626 . 1 1 51 51 LEU CA C 13 54.861 0.400 . 1 . . . . 46 LEU CA . 11030 2 627 . 1 1 51 51 LEU HA H 1 4.260 0.020 . 1 . . . . 46 LEU HA . 11030 2 628 . 1 1 51 51 LEU CB C 13 42.228 0.400 . 1 . . . . 46 LEU CB . 11030 2 629 . 1 1 51 51 LEU HB2 H 1 1.963 0.020 . 2 . . . . 46 LEU HB2 . 11030 2 630 . 1 1 51 51 LEU HB3 H 1 1.963 0.020 . 2 . . . . 46 LEU HB3 . 11030 2 631 . 1 1 51 51 LEU CG C 13 26.558 0.400 . 1 . . . . 46 LEU CG . 11030 2 632 . 1 1 51 51 LEU HG H 1 0.894 0.020 . 1 . . . . 46 LEU HG . 11030 2 633 . 1 1 51 51 LEU HD21 H 1 0.834 0.020 . 2 . . . . 46 LEU HD2 . 11030 2 634 . 1 1 51 51 LEU HD22 H 1 0.834 0.020 . 2 . . . . 46 LEU HD2 . 11030 2 635 . 1 1 51 51 LEU HD23 H 1 0.834 0.020 . 2 . . . . 46 LEU HD2 . 11030 2 636 . 1 1 51 51 LEU CD1 C 13 22.670 0.400 . 1 . . . . 46 LEU CD1 . 11030 2 637 . 1 1 51 51 LEU CD2 C 13 23.187 0.400 . 1 . . . . 46 LEU CD2 . 11030 2 638 . 1 1 51 51 LEU C C 13 176.015 0.400 . 1 . . . . 46 LEU C . 11030 2 639 . 1 1 52 52 THR N N 15 109.201 0.400 . 1 . . . . 47 THR N . 11030 2 640 . 1 1 52 52 THR H H 1 7.515 0.020 . 1 . . . . 47 THR H . 11030 2 641 . 1 1 52 52 THR CA C 13 60.972 0.400 . 1 . . . . 47 THR CA . 11030 2 642 . 1 1 52 52 THR HA H 1 4.345 0.020 . 1 . . . . 47 THR HA . 11030 2 643 . 1 1 52 52 THR CB C 13 69.620 0.400 . 1 . . . . 47 THR CB . 11030 2 644 . 1 1 52 52 THR HB H 1 4.293 0.020 . 1 . . . . 47 THR HB . 11030 2 645 . 1 1 52 52 THR HG21 H 1 1.187 0.020 . 1 . . . . 47 THR HG2 . 11030 2 646 . 1 1 52 52 THR HG22 H 1 1.187 0.020 . 1 . . . . 47 THR HG2 . 11030 2 647 . 1 1 52 52 THR HG23 H 1 1.187 0.020 . 1 . . . . 47 THR HG2 . 11030 2 648 . 1 1 52 52 THR CG2 C 13 20.922 0.400 . 1 . . . . 47 THR CG2 . 11030 2 649 . 1 1 52 52 THR C C 13 173.733 0.400 . 1 . . . . 47 THR C . 11030 2 650 . 1 1 53 53 ASP N N 15 122.188 0.400 . 1 . . . . 48 ASP N . 11030 2 651 . 1 1 53 53 ASP H H 1 8.280 0.020 . 1 . . . . 48 ASP H . 11030 2 652 . 1 1 53 53 ASP CA C 13 54.205 0.400 . 1 . . . . 48 ASP CA . 11030 2 653 . 1 1 53 53 ASP HA H 1 4.686 0.020 . 1 . . . . 48 ASP HA . 11030 2 654 . 1 1 53 53 ASP CB C 13 40.766 0.400 . 1 . . . . 48 ASP CB . 11030 2 655 . 1 1 53 53 ASP HB2 H 1 2.650 0.020 . 2 . . . . 48 ASP HB2 . 11030 2 656 . 1 1 53 53 ASP HB3 H 1 2.775 0.020 . 2 . . . . 48 ASP HB3 . 11030 2 657 . 1 1 53 53 ASP CG C 13 179.984 0.400 . 1 . . . . 48 ASP CG . 11030 2 658 . 1 1 53 53 ASP C C 13 176.000 0.400 . 1 . . . . 48 ASP C . 11030 2 659 . 1 1 54 54 GLU N N 15 121.966 0.400 . 1 . . . . 49 GLU N . 11030 2 660 . 1 1 54 54 GLU H H 1 8.589 0.020 . 1 . . . . 49 GLU H . 11030 2 661 . 1 1 54 54 GLU CA C 13 56.448 0.400 . 1 . . . . 49 GLU CA . 11030 2 662 . 1 1 54 54 GLU HA H 1 4.234 0.020 . 1 . . . . 49 GLU HA . 11030 2 663 . 1 1 54 54 GLU CB C 13 29.642 0.400 . 1 . . . . 49 GLU CB . 11030 2 664 . 1 1 54 54 GLU HB2 H 1 1.928 0.020 . 2 . . . . 49 GLU HB2 . 11030 2 665 . 1 1 54 54 GLU HB3 H 1 2.039 0.020 . 2 . . . . 49 GLU HB3 . 11030 2 666 . 1 1 54 54 GLU CG C 13 35.710 0.400 . 1 . . . . 49 GLU CG . 11030 2 667 . 1 1 54 54 GLU HG2 H 1 2.273 0.020 . 2 . . . . 49 GLU HG2 . 11030 2 668 . 1 1 54 54 GLU HG3 H 1 2.273 0.020 . 2 . . . . 49 GLU HG3 . 11030 2 669 . 1 1 54 54 GLU C C 13 176.522 0.400 . 1 . . . . 49 GLU C . 11030 2 670 . 1 1 55 55 GLN N N 15 120.727 0.400 . 1 . . . . 50 GLN N . 11030 2 671 . 1 1 55 55 GLN H H 1 8.642 0.020 . 1 . . . . 50 GLN H . 11030 2 672 . 1 1 55 55 GLN CA C 13 56.251 0.400 . 1 . . . . 50 GLN CA . 11030 2 673 . 1 1 55 55 GLN HA H 1 4.217 0.020 . 1 . . . . 50 GLN HA . 11030 2 674 . 1 1 55 55 GLN CB C 13 28.555 0.400 . 1 . . . . 50 GLN CB . 11030 2 675 . 1 1 55 55 GLN HB2 H 1 2.021 0.020 . 2 . . . . 50 GLN HB2 . 11030 2 676 . 1 1 55 55 GLN HB3 H 1 2.130 0.020 . 2 . . . . 50 GLN HB3 . 11030 2 677 . 1 1 55 55 GLN CG C 13 33.313 0.400 . 1 . . . . 50 GLN CG . 11030 2 678 . 1 1 55 55 GLN HG2 H 1 2.366 0.020 . 2 . . . . 50 GLN HG2 . 11030 2 679 . 1 1 55 55 GLN HG3 H 1 2.366 0.020 . 2 . . . . 50 GLN HG3 . 11030 2 680 . 1 1 55 55 GLN CD C 13 179.851 0.400 . 1 . . . . 50 GLN CD . 11030 2 681 . 1 1 55 55 GLN NE2 N 15 112.704 0.400 . 1 . . . . 50 GLN NE2 . 11030 2 682 . 1 1 55 55 GLN HE21 H 1 7.627 0.020 . 2 . . . . 50 GLN HE21 . 11030 2 683 . 1 1 55 55 GLN HE22 H 1 6.936 0.020 . 2 . . . . 50 GLN HE22 . 11030 2 684 . 1 1 55 55 GLN C C 13 176.519 0.400 . 1 . . . . 50 GLN C . 11030 2 685 . 1 1 56 56 GLY N N 15 109.357 0.400 . 1 . . . . 51 GLY N . 11030 2 686 . 1 1 56 56 GLY H H 1 8.519 0.020 . 1 . . . . 51 GLY H . 11030 2 687 . 1 1 56 56 GLY CA C 13 45.276 0.400 . 1 . . . . 51 GLY CA . 11030 2 688 . 1 1 56 56 GLY HA2 H 1 3.950 0.020 . 2 . . . . 51 GLY HA2 . 11030 2 689 . 1 1 56 56 GLY HA3 H 1 3.809 0.020 . 2 . . . . 51 GLY HA3 . 11030 2 690 . 1 1 56 56 GLY C C 13 174.146 0.400 . 1 . . . . 51 GLY C . 11030 2 691 . 1 1 57 57 GLN N N 15 119.207 0.400 . 1 . . . . 52 GLN N . 11030 2 692 . 1 1 57 57 GLN H H 1 8.263 0.020 . 1 . . . . 52 GLN H . 11030 2 693 . 1 1 57 57 GLN CA C 13 55.572 0.400 . 1 . . . . 52 GLN CA . 11030 2 694 . 1 1 57 57 GLN HA H 1 4.203 0.020 . 1 . . . . 52 GLN HA . 11030 2 695 . 1 1 57 57 GLN CB C 13 28.656 0.400 . 1 . . . . 52 GLN CB . 11030 2 696 . 1 1 57 57 GLN HB2 H 1 1.928 0.020 . 2 . . . . 52 GLN HB2 . 11030 2 697 . 1 1 57 57 GLN HB3 H 1 2.048 0.020 . 2 . . . . 52 GLN HB3 . 11030 2 698 . 1 1 57 57 GLN CG C 13 33.358 0.400 . 1 . . . . 52 GLN CG . 11030 2 699 . 1 1 57 57 GLN HG2 H 1 2.295 0.020 . 2 . . . . 52 GLN HG2 . 11030 2 700 . 1 1 57 57 GLN HG3 H 1 2.295 0.020 . 2 . . . . 52 GLN HG3 . 11030 2 701 . 1 1 57 57 GLN CD C 13 179.875 0.400 . 1 . . . . 52 GLN CD . 11030 2 702 . 1 1 57 57 GLN NE2 N 15 112.550 0.400 . 1 . . . . 52 GLN NE2 . 11030 2 703 . 1 1 57 57 GLN HE21 H 1 7.551 0.020 . 2 . . . . 52 GLN HE21 . 11030 2 704 . 1 1 57 57 GLN HE22 H 1 6.934 0.020 . 2 . . . . 52 GLN HE22 . 11030 2 705 . 1 1 57 57 GLN C C 13 175.872 0.400 . 1 . . . . 52 GLN C . 11030 2 706 . 1 1 58 58 ARG N N 15 120.525 0.400 . 1 . . . . 53 ARG N . 11030 2 707 . 1 1 58 58 ARG H H 1 8.279 0.020 . 1 . . . . 53 ARG H . 11030 2 708 . 1 1 58 58 ARG CA C 13 55.883 0.400 . 1 . . . . 53 ARG CA . 11030 2 709 . 1 1 58 58 ARG HA H 1 4.176 0.020 . 1 . . . . 53 ARG HA . 11030 2 710 . 1 1 58 58 ARG CB C 13 30.031 0.400 . 1 . . . . 53 ARG CB . 11030 2 711 . 1 1 58 58 ARG HB2 H 1 1.676 0.020 . 2 . . . . 53 ARG HB2 . 11030 2 712 . 1 1 58 58 ARG HB3 H 1 1.676 0.020 . 2 . . . . 53 ARG HB3 . 11030 2 713 . 1 1 58 58 ARG CG C 13 26.777 0.400 . 1 . . . . 53 ARG CG . 11030 2 714 . 1 1 58 58 ARG HG2 H 1 1.533 0.020 . 2 . . . . 53 ARG HG2 . 11030 2 715 . 1 1 58 58 ARG HG3 H 1 1.482 0.020 . 2 . . . . 53 ARG HG3 . 11030 2 716 . 1 1 58 58 ARG CD C 13 42.741 0.400 . 1 . . . . 53 ARG CD . 11030 2 717 . 1 1 58 58 ARG HD2 H 1 3.081 0.020 . 2 . . . . 53 ARG HD2 . 11030 2 718 . 1 1 58 58 ARG HD3 H 1 3.081 0.020 . 2 . . . . 53 ARG HD3 . 11030 2 719 . 1 1 58 58 ARG NE N 15 84.322 0.400 . 1 . . . . 53 ARG NE . 11030 2 720 . 1 1 58 58 ARG HE H 1 7.229 0.020 . 1 . . . . 53 ARG HE . 11030 2 721 . 1 1 58 58 ARG C C 13 175.820 0.400 . 1 . . . . 53 ARG C . 11030 2 722 . 1 1 59 59 HIS N N 15 118.905 0.400 . 1 . . . . 54 HIS N . 11030 2 723 . 1 1 59 59 HIS H H 1 8.398 0.020 . 1 . . . . 54 HIS H . 11030 2 724 . 1 1 59 59 HIS CA C 13 54.908 0.400 . 1 . . . . 54 HIS CA . 11030 2 725 . 1 1 59 59 HIS HA H 1 4.548 0.020 . 1 . . . . 54 HIS HA . 11030 2 726 . 1 1 59 59 HIS CB C 13 28.953 0.400 . 1 . . . . 54 HIS CB . 11030 2 727 . 1 1 59 59 HIS HB2 H 1 3.069 0.020 . 2 . . . . 54 HIS HB2 . 11030 2 728 . 1 1 59 59 HIS HB3 H 1 2.947 0.020 . 2 . . . . 54 HIS HB3 . 11030 2 729 . 1 1 59 59 HIS C C 13 174.136 0.400 . 1 . . . . 54 HIS C . 11030 2 730 . 1 1 60 60 HIS N N 15 119.527 0.400 . 1 . . . . 55 HIS N . 11030 2 731 . 1 1 60 60 HIS H H 1 8.493 0.020 . 1 . . . . 55 HIS H . 11030 2 732 . 1 1 60 60 HIS CA C 13 55.274 0.400 . 1 . . . . 55 HIS CA . 11030 2 733 . 1 1 60 60 HIS HA H 1 4.552 0.020 . 1 . . . . 55 HIS HA . 11030 2 734 . 1 1 60 60 HIS CB C 13 28.913 0.400 . 1 . . . . 55 HIS CB . 11030 2 735 . 1 1 60 60 HIS HB2 H 1 3.082 0.020 . 2 . . . . 55 HIS HB2 . 11030 2 736 . 1 1 60 60 HIS HB3 H 1 2.963 0.020 . 2 . . . . 55 HIS HB3 . 11030 2 737 . 1 1 60 60 HIS C C 13 174.595 0.400 . 1 . . . . 55 HIS C . 11030 2 738 . 1 1 61 61 GLY N N 15 110.215 0.400 . 1 . . . . 56 GLY N . 11030 2 739 . 1 1 61 61 GLY H H 1 8.604 0.020 . 1 . . . . 56 GLY H . 11030 2 740 . 1 1 61 61 GLY CA C 13 44.977 0.400 . 1 . . . . 56 GLY CA . 11030 2 741 . 1 1 61 61 GLY HA2 H 1 3.956 0.020 . 2 . . . . 56 GLY HA2 . 11030 2 742 . 1 1 61 61 GLY HA3 H 1 3.831 0.020 . 2 . . . . 56 GLY HA3 . 11030 2 743 . 1 1 61 61 GLY C C 13 173.752 0.400 . 1 . . . . 56 GLY C . 11030 2 744 . 1 1 62 62 TRP N N 15 120.700 0.400 . 1 . . . . 57 TRP N . 11030 2 745 . 1 1 62 62 TRP H H 1 8.175 0.020 . 1 . . . . 57 TRP H . 11030 2 746 . 1 1 62 62 TRP CA C 13 56.929 0.400 . 1 . . . . 57 TRP CA . 11030 2 747 . 1 1 62 62 TRP HA H 1 4.663 0.020 . 1 . . . . 57 TRP HA . 11030 2 748 . 1 1 62 62 TRP CB C 13 29.142 0.400 . 1 . . . . 57 TRP CB . 11030 2 749 . 1 1 62 62 TRP HB2 H 1 3.249 0.020 . 2 . . . . 57 TRP HB2 . 11030 2 750 . 1 1 62 62 TRP HB3 H 1 3.326 0.020 . 2 . . . . 57 TRP HB3 . 11030 2 751 . 1 1 62 62 TRP CD1 C 13 126.268 0.400 . 1 . . . . 57 TRP CD1 . 11030 2 752 . 1 1 62 62 TRP CE3 C 13 120.528 0.400 . 1 . . . . 57 TRP CE3 . 11030 2 753 . 1 1 62 62 TRP NE1 N 15 129.289 0.400 . 1 . . . . 57 TRP NE1 . 11030 2 754 . 1 1 62 62 TRP HD1 H 1 7.218 0.020 . 1 . . . . 57 TRP HD1 . 11030 2 755 . 1 1 62 62 TRP HE3 H 1 7.553 0.020 . 1 . . . . 57 TRP HE3 . 11030 2 756 . 1 1 62 62 TRP CZ3 C 13 121.555 0.400 . 1 . . . . 57 TRP CZ3 . 11030 2 757 . 1 1 62 62 TRP CZ2 C 13 113.985 0.400 . 1 . . . . 57 TRP CZ2 . 11030 2 758 . 1 1 62 62 TRP HE1 H 1 10.230 0.020 . 1 . . . . 57 TRP HE1 . 11030 2 759 . 1 1 62 62 TRP HZ3 H 1 7.079 0.020 . 1 . . . . 57 TRP HZ3 . 11030 2 760 . 1 1 62 62 TRP CH2 C 13 124.060 0.400 . 1 . . . . 57 TRP CH2 . 11030 2 761 . 1 1 62 62 TRP HZ2 H 1 7.364 0.020 . 1 . . . . 57 TRP HZ2 . 11030 2 762 . 1 1 62 62 TRP HH2 H 1 7.107 0.020 . 1 . . . . 57 TRP HH2 . 11030 2 763 . 1 1 62 62 TRP C C 13 176.442 0.400 . 1 . . . . 57 TRP C . 11030 2 764 . 1 1 63 63 GLY N N 15 110.195 0.400 . 1 . . . . 58 GLY N . 11030 2 765 . 1 1 63 63 GLY H H 1 8.452 0.020 . 1 . . . . 58 GLY H . 11030 2 766 . 1 1 63 63 GLY CA C 13 45.052 0.400 . 1 . . . . 58 GLY CA . 11030 2 767 . 1 1 63 63 GLY HA2 H 1 3.925 0.020 . 2 . . . . 58 GLY HA2 . 11030 2 768 . 1 1 63 63 GLY HA3 H 1 3.833 0.020 . 2 . . . . 58 GLY HA3 . 11030 2 769 . 1 1 63 63 GLY C C 13 173.738 0.400 . 1 . . . . 58 GLY C . 11030 2 770 . 1 1 64 64 ARG N N 15 120.374 0.400 . 1 . . . . 59 ARG N . 11030 2 771 . 1 1 64 64 ARG H H 1 8.136 0.020 . 1 . . . . 59 ARG H . 11030 2 772 . 1 1 64 64 ARG CA C 13 55.799 0.400 . 1 . . . . 59 ARG CA . 11030 2 773 . 1 1 64 64 ARG HA H 1 4.287 0.020 . 1 . . . . 59 ARG HA . 11030 2 774 . 1 1 64 64 ARG CB C 13 30.371 0.400 . 1 . . . . 59 ARG CB . 11030 2 775 . 1 1 64 64 ARG HB2 H 1 1.855 0.020 . 2 . . . . 59 ARG HB2 . 11030 2 776 . 1 1 64 64 ARG HB3 H 1 1.721 0.020 . 2 . . . . 59 ARG HB3 . 11030 2 777 . 1 1 64 64 ARG CG C 13 26.748 0.400 . 1 . . . . 59 ARG CG . 11030 2 778 . 1 1 64 64 ARG HG2 H 1 1.587 0.020 . 2 . . . . 59 ARG HG2 . 11030 2 779 . 1 1 64 64 ARG HG3 H 1 1.587 0.020 . 2 . . . . 59 ARG HG3 . 11030 2 780 . 1 1 64 64 ARG CD C 13 42.789 0.400 . 1 . . . . 59 ARG CD . 11030 2 781 . 1 1 64 64 ARG HD2 H 1 3.160 0.020 . 2 . . . . 59 ARG HD2 . 11030 2 782 . 1 1 64 64 ARG HD3 H 1 3.160 0.020 . 2 . . . . 59 ARG HD3 . 11030 2 783 . 1 1 64 64 ARG NE N 15 84.319 0.400 . 1 . . . . 59 ARG NE . 11030 2 784 . 1 1 64 64 ARG HE H 1 7.233 0.020 . 1 . . . . 59 ARG HE . 11030 2 785 . 1 1 64 64 ARG C C 13 176.287 0.400 . 1 . . . . 59 ARG C . 11030 2 786 . 1 1 65 65 LYS N N 15 121.593 0.400 . 1 . . . . 60 LYS N . 11030 2 787 . 1 1 65 65 LYS H H 1 8.483 0.020 . 1 . . . . 60 LYS H . 11030 2 788 . 1 1 65 65 LYS CA C 13 56.353 0.400 . 1 . . . . 60 LYS CA . 11030 2 789 . 1 1 65 65 LYS HA H 1 4.218 0.020 . 1 . . . . 60 LYS HA . 11030 2 790 . 1 1 65 65 LYS CB C 13 32.260 0.400 . 1 . . . . 60 LYS CB . 11030 2 791 . 1 1 65 65 LYS HB2 H 1 1.782 0.020 . 2 . . . . 60 LYS HB2 . 11030 2 792 . 1 1 65 65 LYS HB3 H 1 1.782 0.020 . 2 . . . . 60 LYS HB3 . 11030 2 793 . 1 1 65 65 LYS CG C 13 24.337 0.400 . 1 . . . . 60 LYS CG . 11030 2 794 . 1 1 65 65 LYS HG2 H 1 1.432 0.020 . 2 . . . . 60 LYS HG2 . 11030 2 795 . 1 1 65 65 LYS HG3 H 1 1.432 0.020 . 2 . . . . 60 LYS HG3 . 11030 2 796 . 1 1 65 65 LYS C C 13 176.102 0.400 . 1 . . . . 60 LYS C . 11030 2 797 . 1 1 66 66 ASN N N 15 118.654 0.400 . 1 . . . . 61 ASN N . 11030 2 798 . 1 1 66 66 ASN H H 1 8.413 0.020 . 1 . . . . 61 ASN H . 11030 2 799 . 1 1 66 66 ASN CA C 13 53.055 0.400 . 1 . . . . 61 ASN CA . 11030 2 800 . 1 1 66 66 ASN HA H 1 4.639 0.020 . 1 . . . . 61 ASN HA . 11030 2 801 . 1 1 66 66 ASN CB C 13 38.385 0.400 . 1 . . . . 61 ASN CB . 11030 2 802 . 1 1 66 66 ASN HB2 H 1 2.794 0.020 . 2 . . . . 61 ASN HB2 . 11030 2 803 . 1 1 66 66 ASN HB3 H 1 2.723 0.020 . 2 . . . . 61 ASN HB3 . 11030 2 804 . 1 1 66 66 ASN CG C 13 176.400 0.400 . 1 . . . . 61 ASN CG . 11030 2 805 . 1 1 66 66 ASN ND2 N 15 113.118 0.400 . 1 . . . . 61 ASN ND2 . 11030 2 806 . 1 1 66 66 ASN HD21 H 1 7.681 0.020 . 2 . . . . 61 ASN HD21 . 11030 2 807 . 1 1 66 66 ASN HD22 H 1 6.925 0.020 . 2 . . . . 61 ASN HD22 . 11030 2 808 . 1 1 66 66 ASN C C 13 174.531 0.400 . 1 . . . . 61 ASN C . 11030 2 809 . 1 1 67 67 SER N N 15 115.491 0.400 . 1 . . . . 62 SER N . 11030 2 810 . 1 1 67 67 SER H H 1 8.288 0.020 . 1 . . . . 62 SER H . 11030 2 811 . 1 1 67 67 SER CA C 13 57.980 0.400 . 1 . . . . 62 SER CA . 11030 2 812 . 1 1 67 67 SER HA H 1 4.283 0.020 . 1 . . . . 62 SER HA . 11030 2 813 . 1 1 67 67 SER CB C 13 63.205 0.400 . 1 . . . . 62 SER CB . 11030 2 814 . 1 1 67 67 SER HB2 H 1 3.825 0.020 . 2 . . . . 62 SER HB2 . 11030 2 815 . 1 1 67 67 SER HB3 H 1 3.825 0.020 . 2 . . . . 62 SER HB3 . 11030 2 816 . 1 1 67 67 SER C C 13 173.864 0.400 . 1 . . . . 62 SER C . 11030 2 817 . 1 1 68 68 LEU N N 15 123.549 0.400 . 1 . . . . 63 LEU N . 11030 2 818 . 1 1 68 68 LEU H H 1 8.063 0.020 . 1 . . . . 63 LEU H . 11030 2 819 . 1 1 68 68 LEU CA C 13 54.098 0.400 . 1 . . . . 63 LEU CA . 11030 2 820 . 1 1 68 68 LEU HA H 1 4.481 0.020 . 1 . . . . 63 LEU HA . 11030 2 821 . 1 1 68 68 LEU CB C 13 42.494 0.400 . 1 . . . . 63 LEU CB . 11030 2 822 . 1 1 68 68 LEU HB2 H 1 1.589 0.020 . 2 . . . . 63 LEU HB2 . 11030 2 823 . 1 1 68 68 LEU HB3 H 1 1.480 0.020 . 2 . . . . 63 LEU HB3 . 11030 2 824 . 1 1 68 68 LEU CG C 13 26.710 0.400 . 1 . . . . 63 LEU CG . 11030 2 825 . 1 1 68 68 LEU HG H 1 1.620 0.020 . 1 . . . . 63 LEU HG . 11030 2 826 . 1 1 68 68 LEU HD11 H 1 0.875 0.020 . 2 . . . . 63 LEU HD1 . 11030 2 827 . 1 1 68 68 LEU HD12 H 1 0.875 0.020 . 2 . . . . 63 LEU HD1 . 11030 2 828 . 1 1 68 68 LEU HD13 H 1 0.875 0.020 . 2 . . . . 63 LEU HD1 . 11030 2 829 . 1 1 68 68 LEU HD21 H 1 0.839 0.020 . 2 . . . . 63 LEU HD2 . 11030 2 830 . 1 1 68 68 LEU HD22 H 1 0.839 0.020 . 2 . . . . 63 LEU HD2 . 11030 2 831 . 1 1 68 68 LEU HD23 H 1 0.839 0.020 . 2 . . . . 63 LEU HD2 . 11030 2 832 . 1 1 68 68 LEU CD1 C 13 25.495 0.400 . 1 . . . . 63 LEU CD1 . 11030 2 833 . 1 1 68 68 LEU CD2 C 13 23.466 0.400 . 1 . . . . 63 LEU CD2 . 11030 2 834 . 1 1 68 68 LEU C C 13 176.532 0.400 . 1 . . . . 63 LEU C . 11030 2 835 . 1 1 69 69 THR N N 15 112.637 0.400 . 1 . . . . 64 THR N . 11030 2 836 . 1 1 69 69 THR H H 1 7.797 0.020 . 1 . . . . 64 THR H . 11030 2 837 . 1 1 69 69 THR CA C 13 59.915 0.400 . 1 . . . . 64 THR CA . 11030 2 838 . 1 1 69 69 THR HA H 1 4.490 0.020 . 1 . . . . 64 THR HA . 11030 2 839 . 1 1 69 69 THR CB C 13 70.852 0.400 . 1 . . . . 64 THR CB . 11030 2 840 . 1 1 69 69 THR HB H 1 4.753 0.020 . 1 . . . . 64 THR HB . 11030 2 841 . 1 1 69 69 THR HG21 H 1 1.340 0.020 . 1 . . . . 64 THR HG2 . 11030 2 842 . 1 1 69 69 THR HG22 H 1 1.340 0.020 . 1 . . . . 64 THR HG2 . 11030 2 843 . 1 1 69 69 THR HG23 H 1 1.340 0.020 . 1 . . . . 64 THR HG2 . 11030 2 844 . 1 1 69 69 THR CG2 C 13 21.600 0.400 . 1 . . . . 64 THR CG2 . 11030 2 845 . 1 1 69 69 THR C C 13 174.998 0.400 . 1 . . . . 64 THR C . 11030 2 846 . 1 1 70 70 LYS N N 15 120.128 0.400 . 1 . . . . 65 LYS N . 11030 2 847 . 1 1 70 70 LYS H H 1 9.059 0.020 . 1 . . . . 65 LYS H . 11030 2 848 . 1 1 70 70 LYS CA C 13 59.535 0.400 . 1 . . . . 65 LYS CA . 11030 2 849 . 1 1 70 70 LYS HA H 1 3.909 0.020 . 1 . . . . 65 LYS HA . 11030 2 850 . 1 1 70 70 LYS CB C 13 31.890 0.400 . 1 . . . . 65 LYS CB . 11030 2 851 . 1 1 70 70 LYS HB2 H 1 1.836 0.020 . 2 . . . . 65 LYS HB2 . 11030 2 852 . 1 1 70 70 LYS HB3 H 1 1.836 0.020 . 2 . . . . 65 LYS HB3 . 11030 2 853 . 1 1 70 70 LYS CG C 13 24.520 0.400 . 1 . . . . 65 LYS CG . 11030 2 854 . 1 1 70 70 LYS CD C 13 29.282 0.400 . 1 . . . . 65 LYS CD . 11030 2 855 . 1 1 70 70 LYS CE C 13 41.385 0.400 . 1 . . . . 65 LYS CE . 11030 2 856 . 1 1 70 70 LYS HE2 H 1 3.018 0.020 . 2 . . . . 65 LYS HE2 . 11030 2 857 . 1 1 70 70 LYS HE3 H 1 3.018 0.020 . 2 . . . . 65 LYS HE3 . 11030 2 858 . 1 1 70 70 LYS C C 13 177.536 0.400 . 1 . . . . 65 LYS C . 11030 2 859 . 1 1 71 71 GLU N N 15 117.667 0.400 . 1 . . . . 66 GLU N . 11030 2 860 . 1 1 71 71 GLU H H 1 8.699 0.020 . 1 . . . . 66 GLU H . 11030 2 861 . 1 1 71 71 GLU CA C 13 60.199 0.400 . 1 . . . . 66 GLU CA . 11030 2 862 . 1 1 71 71 GLU HA H 1 3.806 0.020 . 1 . . . . 66 GLU HA . 11030 2 863 . 1 1 71 71 GLU CB C 13 27.986 0.400 . 1 . . . . 66 GLU CB . 11030 2 864 . 1 1 71 71 GLU HB2 H 1 2.080 0.020 . 2 . . . . 66 GLU HB2 . 11030 2 865 . 1 1 71 71 GLU HB3 H 1 1.882 0.020 . 2 . . . . 66 GLU HB3 . 11030 2 866 . 1 1 71 71 GLU CG C 13 36.965 0.400 . 1 . . . . 66 GLU CG . 11030 2 867 . 1 1 71 71 GLU HG2 H 1 2.476 0.020 . 2 . . . . 66 GLU HG2 . 11030 2 868 . 1 1 71 71 GLU HG3 H 1 2.175 0.020 . 2 . . . . 66 GLU HG3 . 11030 2 869 . 1 1 71 71 GLU CD C 13 183.610 0.400 . 1 . . . . 66 GLU CD . 11030 2 870 . 1 1 71 71 GLU C C 13 178.416 0.400 . 1 . . . . 66 GLU C . 11030 2 871 . 1 1 72 72 ALA N N 15 123.924 0.400 . 1 . . . . 67 ALA N . 11030 2 872 . 1 1 72 72 ALA H H 1 7.992 0.020 . 1 . . . . 67 ALA H . 11030 2 873 . 1 1 72 72 ALA CA C 13 54.477 0.400 . 1 . . . . 67 ALA CA . 11030 2 874 . 1 1 72 72 ALA HA H 1 4.110 0.020 . 1 . . . . 67 ALA HA . 11030 2 875 . 1 1 72 72 ALA HB1 H 1 1.552 0.020 . 1 . . . . 67 ALA HB . 11030 2 876 . 1 1 72 72 ALA HB2 H 1 1.552 0.020 . 1 . . . . 67 ALA HB . 11030 2 877 . 1 1 72 72 ALA HB3 H 1 1.552 0.020 . 1 . . . . 67 ALA HB . 11030 2 878 . 1 1 72 72 ALA CB C 13 18.301 0.400 . 1 . . . . 67 ALA CB . 11030 2 879 . 1 1 72 72 ALA C C 13 178.721 0.400 . 1 . . . . 67 ALA C . 11030 2 880 . 1 1 73 73 VAL N N 15 119.434 0.400 . 1 . . . . 68 VAL N . 11030 2 881 . 1 1 73 73 VAL H H 1 8.044 0.020 . 1 . . . . 68 VAL H . 11030 2 882 . 1 1 73 73 VAL CA C 13 66.089 0.400 . 1 . . . . 68 VAL CA . 11030 2 883 . 1 1 73 73 VAL HA H 1 3.473 0.020 . 1 . . . . 68 VAL HA . 11030 2 884 . 1 1 73 73 VAL CB C 13 31.150 0.400 . 1 . . . . 68 VAL CB . 11030 2 885 . 1 1 73 73 VAL HB H 1 2.171 0.020 . 1 . . . . 68 VAL HB . 11030 2 886 . 1 1 73 73 VAL HG11 H 1 0.809 0.020 . 2 . . . . 68 VAL HG1 . 11030 2 887 . 1 1 73 73 VAL HG12 H 1 0.809 0.020 . 2 . . . . 68 VAL HG1 . 11030 2 888 . 1 1 73 73 VAL HG13 H 1 0.809 0.020 . 2 . . . . 68 VAL HG1 . 11030 2 889 . 1 1 73 73 VAL HG21 H 1 1.041 0.020 . 2 . . . . 68 VAL HG2 . 11030 2 890 . 1 1 73 73 VAL HG22 H 1 1.041 0.020 . 2 . . . . 68 VAL HG2 . 11030 2 891 . 1 1 73 73 VAL HG23 H 1 1.041 0.020 . 2 . . . . 68 VAL HG2 . 11030 2 892 . 1 1 73 73 VAL CG1 C 13 20.919 0.400 . 1 . . . . 68 VAL CG1 . 11030 2 893 . 1 1 73 73 VAL CG2 C 13 22.730 0.400 . 1 . . . . 68 VAL CG2 . 11030 2 894 . 1 1 73 73 VAL C C 13 177.001 0.400 . 1 . . . . 68 VAL C . 11030 2 895 . 1 1 74 74 ALA N N 15 120.671 0.400 . 1 . . . . 69 ALA N . 11030 2 896 . 1 1 74 74 ALA H H 1 8.407 0.020 . 1 . . . . 69 ALA H . 11030 2 897 . 1 1 74 74 ALA CA C 13 54.727 0.400 . 1 . . . . 69 ALA CA . 11030 2 898 . 1 1 74 74 ALA HA H 1 3.968 0.020 . 1 . . . . 69 ALA HA . 11030 2 899 . 1 1 74 74 ALA HB1 H 1 1.364 0.020 . 1 . . . . 69 ALA HB . 11030 2 900 . 1 1 74 74 ALA HB2 H 1 1.364 0.020 . 1 . . . . 69 ALA HB . 11030 2 901 . 1 1 74 74 ALA HB3 H 1 1.364 0.020 . 1 . . . . 69 ALA HB . 11030 2 902 . 1 1 74 74 ALA CB C 13 18.066 0.400 . 1 . . . . 69 ALA CB . 11030 2 903 . 1 1 74 74 ALA C C 13 178.820 0.400 . 1 . . . . 69 ALA C . 11030 2 904 . 1 1 75 75 LYS N N 15 118.624 0.400 . 1 . . . . 70 LYS N . 11030 2 905 . 1 1 75 75 LYS H H 1 7.930 0.020 . 1 . . . . 70 LYS H . 11030 2 906 . 1 1 75 75 LYS CA C 13 58.807 0.400 . 1 . . . . 70 LYS CA . 11030 2 907 . 1 1 75 75 LYS HA H 1 4.086 0.020 . 1 . . . . 70 LYS HA . 11030 2 908 . 1 1 75 75 LYS CB C 13 31.776 0.400 . 1 . . . . 70 LYS CB . 11030 2 909 . 1 1 75 75 LYS HB2 H 1 1.939 0.020 . 2 . . . . 70 LYS HB2 . 11030 2 910 . 1 1 75 75 LYS HB3 H 1 1.901 0.020 . 2 . . . . 70 LYS HB3 . 11030 2 911 . 1 1 75 75 LYS CG C 13 24.448 0.400 . 1 . . . . 70 LYS CG . 11030 2 912 . 1 1 75 75 LYS HG2 H 1 1.429 0.020 . 2 . . . . 70 LYS HG2 . 11030 2 913 . 1 1 75 75 LYS HG3 H 1 1.429 0.020 . 2 . . . . 70 LYS HG3 . 11030 2 914 . 1 1 75 75 LYS CD C 13 28.534 0.400 . 1 . . . . 70 LYS CD . 11030 2 915 . 1 1 75 75 LYS CE C 13 41.724 0.400 . 1 . . . . 70 LYS CE . 11030 2 916 . 1 1 75 75 LYS HE2 H 1 2.787 0.020 . 2 . . . . 70 LYS HE2 . 11030 2 917 . 1 1 75 75 LYS HE3 H 1 2.787 0.020 . 2 . . . . 70 LYS HE3 . 11030 2 918 . 1 1 75 75 LYS C C 13 177.424 0.400 . 1 . . . . 70 LYS C . 11030 2 919 . 1 1 76 76 ILE N N 15 120.234 0.400 . 1 . . . . 71 ILE N . 11030 2 920 . 1 1 76 76 ILE H H 1 7.478 0.020 . 1 . . . . 71 ILE H . 11030 2 921 . 1 1 76 76 ILE CA C 13 64.885 0.400 . 1 . . . . 71 ILE CA . 11030 2 922 . 1 1 76 76 ILE HA H 1 3.960 0.020 . 1 . . . . 71 ILE HA . 11030 2 923 . 1 1 76 76 ILE CB C 13 37.810 0.400 . 1 . . . . 71 ILE CB . 11030 2 924 . 1 1 76 76 ILE HB H 1 2.035 0.020 . 1 . . . . 71 ILE HB . 11030 2 925 . 1 1 76 76 ILE HG21 H 1 0.879 0.020 . 1 . . . . 71 ILE HG2 . 11030 2 926 . 1 1 76 76 ILE HG22 H 1 0.879 0.020 . 1 . . . . 71 ILE HG2 . 11030 2 927 . 1 1 76 76 ILE HG23 H 1 0.879 0.020 . 1 . . . . 71 ILE HG2 . 11030 2 928 . 1 1 76 76 ILE CG2 C 13 17.197 0.400 . 1 . . . . 71 ILE CG2 . 11030 2 929 . 1 1 76 76 ILE CG1 C 13 29.460 0.400 . 1 . . . . 71 ILE CG1 . 11030 2 930 . 1 1 76 76 ILE HG12 H 1 1.743 0.020 . 2 . . . . 71 ILE HG12 . 11030 2 931 . 1 1 76 76 ILE HG13 H 1 1.177 0.020 . 2 . . . . 71 ILE HG13 . 11030 2 932 . 1 1 76 76 ILE HD11 H 1 0.800 0.020 . 1 . . . . 71 ILE HD1 . 11030 2 933 . 1 1 76 76 ILE HD12 H 1 0.800 0.020 . 1 . . . . 71 ILE HD1 . 11030 2 934 . 1 1 76 76 ILE HD13 H 1 0.800 0.020 . 1 . . . . 71 ILE HD1 . 11030 2 935 . 1 1 76 76 ILE CD1 C 13 13.511 0.400 . 1 . . . . 71 ILE CD1 . 11030 2 936 . 1 1 76 76 ILE C C 13 179.734 0.400 . 1 . . . . 71 ILE C . 11030 2 937 . 1 1 77 77 VAL N N 15 122.502 0.400 . 1 . . . . 72 VAL N . 11030 2 938 . 1 1 77 77 VAL H H 1 8.325 0.020 . 1 . . . . 72 VAL H . 11030 2 939 . 1 1 77 77 VAL CA C 13 67.450 0.400 . 1 . . . . 72 VAL CA . 11030 2 940 . 1 1 77 77 VAL HA H 1 3.576 0.020 . 1 . . . . 72 VAL HA . 11030 2 941 . 1 1 77 77 VAL CB C 13 30.928 0.400 . 1 . . . . 72 VAL CB . 11030 2 942 . 1 1 77 77 VAL HB H 1 2.409 0.020 . 1 . . . . 72 VAL HB . 11030 2 943 . 1 1 77 77 VAL HG11 H 1 1.007 0.020 . 2 . . . . 72 VAL HG1 . 11030 2 944 . 1 1 77 77 VAL HG12 H 1 1.007 0.020 . 2 . . . . 72 VAL HG1 . 11030 2 945 . 1 1 77 77 VAL HG13 H 1 1.007 0.020 . 2 . . . . 72 VAL HG1 . 11030 2 946 . 1 1 77 77 VAL HG21 H 1 0.981 0.020 . 2 . . . . 72 VAL HG2 . 11030 2 947 . 1 1 77 77 VAL HG22 H 1 0.981 0.020 . 2 . . . . 72 VAL HG2 . 11030 2 948 . 1 1 77 77 VAL HG23 H 1 0.981 0.020 . 2 . . . . 72 VAL HG2 . 11030 2 949 . 1 1 77 77 VAL CG1 C 13 21.631 0.400 . 1 . . . . 72 VAL CG1 . 11030 2 950 . 1 1 77 77 VAL CG2 C 13 22.693 0.400 . 1 . . . . 72 VAL CG2 . 11030 2 951 . 1 1 77 77 VAL C C 13 176.906 0.400 . 1 . . . . 72 VAL C . 11030 2 952 . 1 1 78 78 ASP N N 15 120.524 0.400 . 1 . . . . 73 ASP N . 11030 2 953 . 1 1 78 78 ASP H H 1 8.798 0.020 . 1 . . . . 73 ASP H . 11030 2 954 . 1 1 78 78 ASP CA C 13 58.206 0.400 . 1 . . . . 73 ASP CA . 11030 2 955 . 1 1 78 78 ASP HA H 1 4.379 0.020 . 1 . . . . 73 ASP HA . 11030 2 956 . 1 1 78 78 ASP CB C 13 41.420 0.400 . 1 . . . . 73 ASP CB . 11030 2 957 . 1 1 78 78 ASP HB2 H 1 2.802 0.020 . 2 . . . . 73 ASP HB2 . 11030 2 958 . 1 1 78 78 ASP HB3 H 1 2.761 0.020 . 2 . . . . 73 ASP HB3 . 11030 2 959 . 1 1 78 78 ASP CG C 13 178.692 0.400 . 1 . . . . 73 ASP CG . 11030 2 960 . 1 1 78 78 ASP C C 13 178.068 0.400 . 1 . . . . 73 ASP C . 11030 2 961 . 1 1 79 79 ASP N N 15 119.761 0.400 . 1 . . . . 74 ASP N . 11030 2 962 . 1 1 79 79 ASP H H 1 9.318 0.020 . 1 . . . . 74 ASP H . 11030 2 963 . 1 1 79 79 ASP CA C 13 57.025 0.400 . 1 . . . . 74 ASP CA . 11030 2 964 . 1 1 79 79 ASP HA H 1 4.404 0.020 . 1 . . . . 74 ASP HA . 11030 2 965 . 1 1 79 79 ASP CB C 13 40.007 0.400 . 1 . . . . 74 ASP CB . 11030 2 966 . 1 1 79 79 ASP HB2 H 1 2.908 0.020 . 2 . . . . 74 ASP HB2 . 11030 2 967 . 1 1 79 79 ASP HB3 H 1 2.647 0.020 . 2 . . . . 74 ASP HB3 . 11030 2 968 . 1 1 79 79 ASP CG C 13 178.649 0.400 . 1 . . . . 74 ASP CG . 11030 2 969 . 1 1 79 79 ASP C C 13 178.813 0.400 . 1 . . . . 74 ASP C . 11030 2 970 . 1 1 80 80 THR N N 15 117.342 0.400 . 1 . . . . 75 THR N . 11030 2 971 . 1 1 80 80 THR H H 1 8.084 0.020 . 1 . . . . 75 THR H . 11030 2 972 . 1 1 80 80 THR CA C 13 66.977 0.400 . 1 . . . . 75 THR CA . 11030 2 973 . 1 1 80 80 THR HA H 1 3.826 0.020 . 1 . . . . 75 THR HA . 11030 2 974 . 1 1 80 80 THR CB C 13 67.725 0.400 . 1 . . . . 75 THR CB . 11030 2 975 . 1 1 80 80 THR HB H 1 4.263 0.020 . 1 . . . . 75 THR HB . 11030 2 976 . 1 1 80 80 THR HG21 H 1 0.860 0.020 . 1 . . . . 75 THR HG2 . 11030 2 977 . 1 1 80 80 THR HG22 H 1 0.860 0.020 . 1 . . . . 75 THR HG2 . 11030 2 978 . 1 1 80 80 THR HG23 H 1 0.860 0.020 . 1 . . . . 75 THR HG2 . 11030 2 979 . 1 1 80 80 THR CG2 C 13 20.570 0.400 . 1 . . . . 75 THR CG2 . 11030 2 980 . 1 1 80 80 THR C C 13 175.367 0.400 . 1 . . . . 75 THR C . 11030 2 981 . 1 1 81 81 TYR N N 15 123.732 0.400 . 1 . . . . 76 TYR N . 11030 2 982 . 1 1 81 81 TYR H H 1 8.830 0.020 . 1 . . . . 76 TYR H . 11030 2 983 . 1 1 81 81 TYR CA C 13 61.713 0.400 . 1 . . . . 76 TYR CA . 11030 2 984 . 1 1 81 81 TYR HA H 1 4.265 0.020 . 1 . . . . 76 TYR HA . 11030 2 985 . 1 1 81 81 TYR CB C 13 38.849 0.400 . 1 . . . . 76 TYR CB . 11030 2 986 . 1 1 81 81 TYR HB2 H 1 3.440 0.020 . 2 . . . . 76 TYR HB2 . 11030 2 987 . 1 1 81 81 TYR HB3 H 1 3.210 0.020 . 2 . . . . 76 TYR HB3 . 11030 2 988 . 1 1 81 81 TYR CD1 C 13 132.542 0.400 . 1 . . . . 76 TYR CD1 . 11030 2 989 . 1 1 81 81 TYR HD1 H 1 6.995 0.020 . 1 . . . . 76 TYR HD1 . 11030 2 990 . 1 1 81 81 TYR CE1 C 13 118.013 0.400 . 1 . . . . 76 TYR CE1 . 11030 2 991 . 1 1 81 81 TYR HE1 H 1 6.468 0.020 . 1 . . . . 76 TYR HE1 . 11030 2 992 . 1 1 81 81 TYR HE2 H 1 6.468 0.020 . 1 . . . . 76 TYR HE2 . 11030 2 993 . 1 1 81 81 TYR HD2 H 1 6.995 0.020 . 1 . . . . 76 TYR HD2 . 11030 2 994 . 1 1 81 81 TYR C C 13 176.700 0.400 . 1 . . . . 76 TYR C . 11030 2 995 . 1 1 82 82 ARG N N 15 118.508 0.400 . 1 . . . . 77 ARG N . 11030 2 996 . 1 1 82 82 ARG H H 1 8.754 0.020 . 1 . . . . 77 ARG H . 11030 2 997 . 1 1 82 82 ARG CA C 13 58.792 0.400 . 1 . . . . 77 ARG CA . 11030 2 998 . 1 1 82 82 ARG HA H 1 3.890 0.020 . 1 . . . . 77 ARG HA . 11030 2 999 . 1 1 82 82 ARG CB C 13 29.498 0.400 . 1 . . . . 77 ARG CB . 11030 2 1000 . 1 1 82 82 ARG HB2 H 1 1.927 0.020 . 2 . . . . 77 ARG HB2 . 11030 2 1001 . 1 1 82 82 ARG HB3 H 1 1.927 0.020 . 2 . . . . 77 ARG HB3 . 11030 2 1002 . 1 1 82 82 ARG CG C 13 27.731 0.400 . 1 . . . . 77 ARG CG . 11030 2 1003 . 1 1 82 82 ARG HG2 H 1 1.901 0.020 . 2 . . . . 77 ARG HG2 . 11030 2 1004 . 1 1 82 82 ARG HG3 H 1 1.696 0.020 . 2 . . . . 77 ARG HG3 . 11030 2 1005 . 1 1 82 82 ARG CD C 13 42.715 0.400 . 1 . . . . 77 ARG CD . 11030 2 1006 . 1 1 82 82 ARG HD2 H 1 3.239 0.020 . 2 . . . . 77 ARG HD2 . 11030 2 1007 . 1 1 82 82 ARG HD3 H 1 3.239 0.020 . 2 . . . . 77 ARG HD3 . 11030 2 1008 . 1 1 82 82 ARG NE N 15 84.609 0.400 . 1 . . . . 77 ARG NE . 11030 2 1009 . 1 1 82 82 ARG HE H 1 7.540 0.020 . 1 . . . . 77 ARG HE . 11030 2 1010 . 1 1 82 82 ARG CZ C 13 159.043 0.400 . 1 . . . . 77 ARG CZ . 11030 2 1011 . 1 1 82 82 ARG HH11 H 1 7.018 0.020 . 2 . . . . 77 ARG HH11 . 11030 2 1012 . 1 1 82 82 ARG HH12 H 1 7.018 0.020 . 2 . . . . 77 ARG HH12 . 11030 2 1013 . 1 1 82 82 ARG HH21 H 1 6.629 0.020 . 2 . . . . 77 ARG HH21 . 11030 2 1014 . 1 1 82 82 ARG HH22 H 1 6.629 0.020 . 2 . . . . 77 ARG HH22 . 11030 2 1015 . 1 1 82 82 ARG C C 13 178.748 0.400 . 1 . . . . 77 ARG C . 11030 2 1016 . 1 1 83 83 LYS N N 15 118.079 0.400 . 1 . . . . 78 LYS N . 11030 2 1017 . 1 1 83 83 LYS H H 1 7.696 0.020 . 1 . . . . 78 LYS H . 11030 2 1018 . 1 1 83 83 LYS CA C 13 58.671 0.400 . 1 . . . . 78 LYS CA . 11030 2 1019 . 1 1 83 83 LYS HA H 1 4.024 0.020 . 1 . . . . 78 LYS HA . 11030 2 1020 . 1 1 83 83 LYS CB C 13 32.057 0.400 . 1 . . . . 78 LYS CB . 11030 2 1021 . 1 1 83 83 LYS HB2 H 1 1.913 0.020 . 2 . . . . 78 LYS HB2 . 11030 2 1022 . 1 1 83 83 LYS HB3 H 1 1.913 0.020 . 2 . . . . 78 LYS HB3 . 11030 2 1023 . 1 1 83 83 LYS CE C 13 41.258 0.400 . 1 . . . . 78 LYS CE . 11030 2 1024 . 1 1 83 83 LYS HE2 H 1 2.900 0.020 . 2 . . . . 78 LYS HE2 . 11030 2 1025 . 1 1 83 83 LYS HE3 H 1 2.900 0.020 . 2 . . . . 78 LYS HE3 . 11030 2 1026 . 1 1 83 83 LYS C C 13 177.743 0.400 . 1 . . . . 78 LYS C . 11030 2 1027 . 1 1 84 84 MET N N 15 118.241 0.400 . 1 . . . . 79 MET N . 11030 2 1028 . 1 1 84 84 MET H H 1 7.748 0.020 . 1 . . . . 79 MET H . 11030 2 1029 . 1 1 84 84 MET CA C 13 57.209 0.400 . 1 . . . . 79 MET CA . 11030 2 1030 . 1 1 84 84 MET HA H 1 4.170 0.020 . 1 . . . . 79 MET HA . 11030 2 1031 . 1 1 84 84 MET CB C 13 32.320 0.400 . 1 . . . . 79 MET CB . 11030 2 1032 . 1 1 84 84 MET HB2 H 1 2.135 0.020 . 2 . . . . 79 MET HB2 . 11030 2 1033 . 1 1 84 84 MET HB3 H 1 2.068 0.020 . 2 . . . . 79 MET HB3 . 11030 2 1034 . 1 1 84 84 MET CG C 13 31.544 0.400 . 1 . . . . 79 MET CG . 11030 2 1035 . 1 1 84 84 MET HG2 H 1 2.659 0.020 . 2 . . . . 79 MET HG2 . 11030 2 1036 . 1 1 84 84 MET HG3 H 1 2.492 0.020 . 2 . . . . 79 MET HG3 . 11030 2 1037 . 1 1 84 84 MET HE1 H 1 1.946 0.020 . 1 . . . . 79 MET HE . 11030 2 1038 . 1 1 84 84 MET HE2 H 1 1.946 0.020 . 1 . . . . 79 MET HE . 11030 2 1039 . 1 1 84 84 MET HE3 H 1 1.946 0.020 . 1 . . . . 79 MET HE . 11030 2 1040 . 1 1 84 84 MET CE C 13 16.692 0.400 . 1 . . . . 79 MET CE . 11030 2 1041 . 1 1 84 84 MET C C 13 177.036 0.400 . 1 . . . . 79 MET C . 11030 2 1042 . 1 1 85 85 GLN N N 15 117.242 0.400 . 1 . . . . 80 GLN N . 11030 2 1043 . 1 1 85 85 GLN H H 1 7.843 0.020 . 1 . . . . 80 GLN H . 11030 2 1044 . 1 1 85 85 GLN CA C 13 56.523 0.400 . 1 . . . . 80 GLN CA . 11030 2 1045 . 1 1 85 85 GLN HA H 1 3.993 0.020 . 1 . . . . 80 GLN HA . 11030 2 1046 . 1 1 85 85 GLN CB C 13 28.240 0.400 . 1 . . . . 80 GLN CB . 11030 2 1047 . 1 1 85 85 GLN HB2 H 1 1.929 0.020 . 2 . . . . 80 GLN HB2 . 11030 2 1048 . 1 1 85 85 GLN HB3 H 1 1.929 0.020 . 2 . . . . 80 GLN HB3 . 11030 2 1049 . 1 1 85 85 GLN CG C 13 33.091 0.400 . 1 . . . . 80 GLN CG . 11030 2 1050 . 1 1 85 85 GLN HG2 H 1 1.978 0.020 . 2 . . . . 80 GLN HG2 . 11030 2 1051 . 1 1 85 85 GLN HG3 H 1 1.978 0.020 . 2 . . . . 80 GLN HG3 . 11030 2 1052 . 1 1 85 85 GLN CD C 13 179.508 0.400 . 1 . . . . 80 GLN CD . 11030 2 1053 . 1 1 85 85 GLN NE2 N 15 112.034 0.400 . 1 . . . . 80 GLN NE2 . 11030 2 1054 . 1 1 85 85 GLN HE21 H 1 6.624 0.020 . 2 . . . . 80 GLN HE21 . 11030 2 1055 . 1 1 85 85 GLN HE22 H 1 6.483 0.020 . 2 . . . . 80 GLN HE22 . 11030 2 1056 . 1 1 85 85 GLN C C 13 176.690 0.400 . 1 . . . . 80 GLN C . 11030 2 1057 . 1 1 86 86 ILE N N 15 119.178 0.400 . 1 . . . . 81 ILE N . 11030 2 1058 . 1 1 86 86 ILE H H 1 7.715 0.020 . 1 . . . . 81 ILE H . 11030 2 1059 . 1 1 86 86 ILE CA C 13 62.073 0.400 . 1 . . . . 81 ILE CA . 11030 2 1060 . 1 1 86 86 ILE HA H 1 3.934 0.020 . 1 . . . . 81 ILE HA . 11030 2 1061 . 1 1 86 86 ILE CB C 13 37.966 0.400 . 1 . . . . 81 ILE CB . 11030 2 1062 . 1 1 86 86 ILE HB H 1 1.820 0.020 . 1 . . . . 81 ILE HB . 11030 2 1063 . 1 1 86 86 ILE HG21 H 1 0.845 0.020 . 1 . . . . 81 ILE HG2 . 11030 2 1064 . 1 1 86 86 ILE HG22 H 1 0.845 0.020 . 1 . . . . 81 ILE HG2 . 11030 2 1065 . 1 1 86 86 ILE HG23 H 1 0.845 0.020 . 1 . . . . 81 ILE HG2 . 11030 2 1066 . 1 1 86 86 ILE CG2 C 13 17.029 0.400 . 1 . . . . 81 ILE CG2 . 11030 2 1067 . 1 1 86 86 ILE CG1 C 13 27.469 0.400 . 1 . . . . 81 ILE CG1 . 11030 2 1068 . 1 1 86 86 ILE HG12 H 1 1.483 0.020 . 2 . . . . 81 ILE HG12 . 11030 2 1069 . 1 1 86 86 ILE HG13 H 1 1.131 0.020 . 2 . . . . 81 ILE HG13 . 11030 2 1070 . 1 1 86 86 ILE HD11 H 1 0.791 0.020 . 1 . . . . 81 ILE HD1 . 11030 2 1071 . 1 1 86 86 ILE HD12 H 1 0.791 0.020 . 1 . . . . 81 ILE HD1 . 11030 2 1072 . 1 1 86 86 ILE HD13 H 1 0.791 0.020 . 1 . . . . 81 ILE HD1 . 11030 2 1073 . 1 1 86 86 ILE CD1 C 13 12.662 0.400 . 1 . . . . 81 ILE CD1 . 11030 2 1074 . 1 1 86 86 ILE C C 13 176.673 0.400 . 1 . . . . 81 ILE C . 11030 2 1075 . 1 1 87 87 GLN N N 15 121.386 0.400 . 1 . . . . 82 GLN N . 11030 2 1076 . 1 1 87 87 GLN H H 1 8.164 0.020 . 1 . . . . 82 GLN H . 11030 2 1077 . 1 1 87 87 GLN CA C 13 55.968 0.400 . 1 . . . . 82 GLN CA . 11030 2 1078 . 1 1 87 87 GLN HA H 1 4.214 0.020 . 1 . . . . 82 GLN HA . 11030 2 1079 . 1 1 87 87 GLN CB C 13 28.735 0.400 . 1 . . . . 82 GLN CB . 11030 2 1080 . 1 1 87 87 GLN HB2 H 1 2.127 0.020 . 2 . . . . 82 GLN HB2 . 11030 2 1081 . 1 1 87 87 GLN HB3 H 1 2.047 0.020 . 2 . . . . 82 GLN HB3 . 11030 2 1082 . 1 1 87 87 GLN CG C 13 33.352 0.400 . 1 . . . . 82 GLN CG . 11030 2 1083 . 1 1 87 87 GLN HG2 H 1 2.437 0.020 . 2 . . . . 82 GLN HG2 . 11030 2 1084 . 1 1 87 87 GLN HG3 H 1 2.346 0.020 . 2 . . . . 82 GLN HG3 . 11030 2 1085 . 1 1 87 87 GLN NE2 N 15 112.687 0.400 . 1 . . . . 82 GLN NE2 . 11030 2 1086 . 1 1 87 87 GLN HE21 H 1 7.606 0.020 . 2 . . . . 82 GLN HE21 . 11030 2 1087 . 1 1 87 87 GLN HE22 H 1 6.934 0.020 . 2 . . . . 82 GLN HE22 . 11030 2 1088 . 1 1 87 87 GLN C C 13 175.836 0.400 . 1 . . . . 82 GLN C . 11030 2 1089 . 1 1 88 88 CYS N N 15 118.663 0.400 . 1 . . . . 83 CYS N . 11030 2 1090 . 1 1 88 88 CYS H H 1 8.238 0.020 . 1 . . . . 83 CYS H . 11030 2 1091 . 1 1 88 88 CYS CA C 13 57.997 0.400 . 1 . . . . 83 CYS CA . 11030 2 1092 . 1 1 88 88 CYS HA H 1 4.467 0.020 . 1 . . . . 83 CYS HA . 11030 2 1093 . 1 1 88 88 CYS CB C 13 27.582 0.400 . 1 . . . . 83 CYS CB . 11030 2 1094 . 1 1 88 88 CYS HB2 H 1 2.915 0.020 . 2 . . . . 83 CYS HB2 . 11030 2 1095 . 1 1 88 88 CYS HB3 H 1 2.863 0.020 . 2 . . . . 83 CYS HB3 . 11030 2 1096 . 1 1 88 88 CYS C C 13 173.432 0.400 . 1 . . . . 83 CYS C . 11030 2 1097 . 1 1 89 89 ALA N N 15 127.014 0.400 . 1 . . . . 84 ALA N . 11030 2 1098 . 1 1 89 89 ALA H H 1 8.249 0.020 . 1 . . . . 84 ALA H . 11030 2 1099 . 1 1 89 89 ALA CA C 13 50.607 0.400 . 1 . . . . 84 ALA CA . 11030 2 1100 . 1 1 89 89 ALA HA H 1 4.544 0.020 . 1 . . . . 84 ALA HA . 11030 2 1101 . 1 1 89 89 ALA HB1 H 1 1.372 0.020 . 1 . . . . 84 ALA HB . 11030 2 1102 . 1 1 89 89 ALA HB2 H 1 1.372 0.020 . 1 . . . . 84 ALA HB . 11030 2 1103 . 1 1 89 89 ALA HB3 H 1 1.372 0.020 . 1 . . . . 84 ALA HB . 11030 2 1104 . 1 1 89 89 ALA CB C 13 17.658 0.400 . 1 . . . . 84 ALA CB . 11030 2 1105 . 1 1 89 89 ALA C C 13 175.125 0.400 . 1 . . . . 84 ALA C . 11030 2 1106 . 1 1 90 90 PRO CD C 13 50.072 0.400 . 1 . . . . 85 PRO CD . 11030 2 1107 . 1 1 90 90 PRO CA C 13 62.995 0.400 . 1 . . . . 85 PRO CA . 11030 2 1108 . 1 1 90 90 PRO HA H 1 4.373 0.020 . 1 . . . . 85 PRO HA . 11030 2 1109 . 1 1 90 90 PRO CB C 13 31.692 0.400 . 1 . . . . 85 PRO CB . 11030 2 1110 . 1 1 90 90 PRO HB2 H 1 2.260 0.020 . 2 . . . . 85 PRO HB2 . 11030 2 1111 . 1 1 90 90 PRO HB3 H 1 1.860 0.020 . 2 . . . . 85 PRO HB3 . 11030 2 1112 . 1 1 90 90 PRO CG C 13 26.955 0.400 . 1 . . . . 85 PRO CG . 11030 2 1113 . 1 1 90 90 PRO HG2 H 1 1.980 0.020 . 2 . . . . 85 PRO HG2 . 11030 2 1114 . 1 1 90 90 PRO HG3 H 1 1.980 0.020 . 2 . . . . 85 PRO HG3 . 11030 2 1115 . 1 1 90 90 PRO HD2 H 1 3.748 0.020 . 2 . . . . 85 PRO HD2 . 11030 2 1116 . 1 1 90 90 PRO HD3 H 1 3.643 0.020 . 2 . . . . 85 PRO HD3 . 11030 2 1117 . 1 1 90 90 PRO C C 13 176.407 0.400 . 1 . . . . 85 PRO C . 11030 2 1118 . 1 1 91 91 ASP N N 15 119.209 0.400 . 1 . . . . 86 ASP N . 11030 2 1119 . 1 1 91 91 ASP H H 1 8.429 0.020 . 1 . . . . 86 ASP H . 11030 2 1120 . 1 1 91 91 ASP CA C 13 53.752 0.400 . 1 . . . . 86 ASP CA . 11030 2 1121 . 1 1 91 91 ASP HA H 1 4.394 0.020 . 1 . . . . 86 ASP HA . 11030 2 1122 . 1 1 91 91 ASP CB C 13 40.319 0.400 . 1 . . . . 86 ASP CB . 11030 2 1123 . 1 1 91 91 ASP HB2 H 1 2.695 0.020 . 2 . . . . 86 ASP HB2 . 11030 2 1124 . 1 1 91 91 ASP HB3 H 1 2.654 0.020 . 2 . . . . 86 ASP HB3 . 11030 2 1125 . 1 1 91 91 ASP C C 13 176.101 0.400 . 1 . . . . 86 ASP C . 11030 2 1126 . 1 1 92 92 LEU N N 15 122.571 0.400 . 1 . . . . 87 LEU N . 11030 2 1127 . 1 1 92 92 LEU H H 1 8.208 0.020 . 1 . . . . 87 LEU H . 11030 2 1128 . 1 1 92 92 LEU CA C 13 55.286 0.400 . 1 . . . . 87 LEU CA . 11030 2 1129 . 1 1 92 92 LEU HA H 1 4.204 0.020 . 1 . . . . 87 LEU HA . 11030 2 1130 . 1 1 92 92 LEU CB C 13 41.786 0.400 . 1 . . . . 87 LEU CB . 11030 2 1131 . 1 1 92 92 LEU HB2 H 1 1.646 0.020 . 2 . . . . 87 LEU HB2 . 11030 2 1132 . 1 1 92 92 LEU HB3 H 1 1.575 0.020 . 2 . . . . 87 LEU HB3 . 11030 2 1133 . 1 1 92 92 LEU CG C 13 26.463 0.400 . 1 . . . . 87 LEU CG . 11030 2 1134 . 1 1 92 92 LEU HG H 1 1.617 0.020 . 1 . . . . 87 LEU HG . 11030 2 1135 . 1 1 92 92 LEU HD11 H 1 0.877 0.020 . 2 . . . . 87 LEU HD1 . 11030 2 1136 . 1 1 92 92 LEU HD12 H 1 0.877 0.020 . 2 . . . . 87 LEU HD1 . 11030 2 1137 . 1 1 92 92 LEU HD13 H 1 0.877 0.020 . 2 . . . . 87 LEU HD1 . 11030 2 1138 . 1 1 92 92 LEU HD21 H 1 0.811 0.020 . 2 . . . . 87 LEU HD2 . 11030 2 1139 . 1 1 92 92 LEU HD22 H 1 0.811 0.020 . 2 . . . . 87 LEU HD2 . 11030 2 1140 . 1 1 92 92 LEU HD23 H 1 0.811 0.020 . 2 . . . . 87 LEU HD2 . 11030 2 1141 . 1 1 92 92 LEU CD1 C 13 24.375 0.400 . 1 . . . . 87 LEU CD1 . 11030 2 1142 . 1 1 92 92 LEU CD2 C 13 23.100 0.400 . 1 . . . . 87 LEU CD2 . 11030 2 1143 . 1 1 92 92 LEU C C 13 177.406 0.400 . 1 . . . . 87 LEU C . 11030 2 1144 . 1 1 93 93 ALA N N 15 123.131 0.400 . 1 . . . . 88 ALA N . 11030 2 1145 . 1 1 93 93 ALA H H 1 8.305 0.020 . 1 . . . . 88 ALA H . 11030 2 1146 . 1 1 93 93 ALA CA C 13 52.876 0.400 . 1 . . . . 88 ALA CA . 11030 2 1147 . 1 1 93 93 ALA HA H 1 4.263 0.020 . 1 . . . . 88 ALA HA . 11030 2 1148 . 1 1 93 93 ALA HB1 H 1 1.395 0.020 . 1 . . . . 88 ALA HB . 11030 2 1149 . 1 1 93 93 ALA HB2 H 1 1.395 0.020 . 1 . . . . 88 ALA HB . 11030 2 1150 . 1 1 93 93 ALA HB3 H 1 1.395 0.020 . 1 . . . . 88 ALA HB . 11030 2 1151 . 1 1 93 93 ALA CB C 13 18.672 0.400 . 1 . . . . 88 ALA CB . 11030 2 1152 . 1 1 93 93 ALA C C 13 178.033 0.400 . 1 . . . . 88 ALA C . 11030 2 1153 . 1 1 94 94 THR N N 15 112.097 0.400 . 1 . . . . 89 THR N . 11030 2 1154 . 1 1 94 94 THR H H 1 7.994 0.020 . 1 . . . . 89 THR H . 11030 2 1155 . 1 1 94 94 THR CA C 13 61.640 0.400 . 1 . . . . 89 THR CA . 11030 2 1156 . 1 1 94 94 THR HA H 1 4.251 0.020 . 1 . . . . 89 THR HA . 11030 2 1157 . 1 1 94 94 THR CB C 13 69.063 0.400 . 1 . . . . 89 THR CB . 11030 2 1158 . 1 1 94 94 THR HB H 1 4.222 0.020 . 1 . . . . 89 THR HB . 11030 2 1159 . 1 1 94 94 THR HG21 H 1 1.186 0.020 . 1 . . . . 89 THR HG2 . 11030 2 1160 . 1 1 94 94 THR HG22 H 1 1.186 0.020 . 1 . . . . 89 THR HG2 . 11030 2 1161 . 1 1 94 94 THR HG23 H 1 1.186 0.020 . 1 . . . . 89 THR HG2 . 11030 2 1162 . 1 1 94 94 THR CG2 C 13 21.162 0.400 . 1 . . . . 89 THR CG2 . 11030 2 1163 . 1 1 94 94 THR C C 13 174.493 0.400 . 1 . . . . 89 THR C . 11030 2 1164 . 1 1 95 95 ARG N N 15 122.704 0.400 . 1 . . . . 90 ARG N . 11030 2 1165 . 1 1 95 95 ARG H H 1 8.211 0.020 . 1 . . . . 90 ARG H . 11030 2 1166 . 1 1 95 95 ARG CA C 13 55.718 0.400 . 1 . . . . 90 ARG CA . 11030 2 1167 . 1 1 95 95 ARG HA H 1 4.324 0.020 . 1 . . . . 90 ARG HA . 11030 2 1168 . 1 1 95 95 ARG CB C 13 30.309 0.400 . 1 . . . . 90 ARG CB . 11030 2 1169 . 1 1 95 95 ARG HB2 H 1 1.742 0.020 . 2 . . . . 90 ARG HB2 . 11030 2 1170 . 1 1 95 95 ARG HB3 H 1 1.839 0.020 . 2 . . . . 90 ARG HB3 . 11030 2 1171 . 1 1 95 95 ARG CG C 13 26.651 0.400 . 1 . . . . 90 ARG CG . 11030 2 1172 . 1 1 95 95 ARG HG2 H 1 1.603 0.020 . 2 . . . . 90 ARG HG2 . 11030 2 1173 . 1 1 95 95 ARG HG3 H 1 1.603 0.020 . 2 . . . . 90 ARG HG3 . 11030 2 1174 . 1 1 95 95 ARG CD C 13 42.852 0.400 . 1 . . . . 90 ARG CD . 11030 2 1175 . 1 1 95 95 ARG HD2 H 1 3.130 0.020 . 2 . . . . 90 ARG HD2 . 11030 2 1176 . 1 1 95 95 ARG HD3 H 1 3.130 0.020 . 2 . . . . 90 ARG HD3 . 11030 2 1177 . 1 1 95 95 ARG NE N 15 84.345 0.400 . 1 . . . . 90 ARG NE . 11030 2 1178 . 1 1 95 95 ARG HE H 1 7.232 0.020 . 1 . . . . 90 ARG HE . 11030 2 1179 . 1 1 95 95 ARG C C 13 175.927 0.400 . 1 . . . . 90 ARG C . 11030 2 1180 . 1 1 96 96 SER N N 15 116.390 0.400 . 1 . . . . 91 SER N . 11030 2 1181 . 1 1 96 96 SER H H 1 8.365 0.020 . 1 . . . . 91 SER H . 11030 2 1182 . 1 1 96 96 SER CA C 13 57.823 0.400 . 1 . . . . 91 SER CA . 11030 2 1183 . 1 1 96 96 SER HA H 1 4.356 0.020 . 1 . . . . 91 SER HA . 11030 2 1184 . 1 1 96 96 SER CB C 13 63.214 0.400 . 1 . . . . 91 SER CB . 11030 2 1185 . 1 1 96 96 SER HB2 H 1 3.818 0.020 . 2 . . . . 91 SER HB2 . 11030 2 1186 . 1 1 96 96 SER HB3 H 1 3.818 0.020 . 2 . . . . 91 SER HB3 . 11030 2 1187 . 1 1 96 96 SER C C 13 174.011 0.400 . 1 . . . . 91 SER C . 11030 2 1188 . 1 1 97 97 HIS N N 15 120.507 0.400 . 1 . . . . 92 HIS N . 11030 2 1189 . 1 1 97 97 HIS H H 1 8.541 0.020 . 1 . . . . 92 HIS H . 11030 2 1190 . 1 1 97 97 HIS CA C 13 54.960 0.400 . 1 . . . . 92 HIS CA . 11030 2 1191 . 1 1 97 97 HIS HA H 1 4.704 0.020 . 1 . . . . 92 HIS HA . 11030 2 1192 . 1 1 97 97 HIS CB C 13 28.518 0.400 . 1 . . . . 92 HIS CB . 11030 2 1193 . 1 1 97 97 HIS HB2 H 1 3.253 0.020 . 2 . . . . 92 HIS HB2 . 11030 2 1194 . 1 1 97 97 HIS HB3 H 1 3.158 0.020 . 2 . . . . 92 HIS HB3 . 11030 2 1195 . 1 1 97 97 HIS CD2 C 13 119.523 0.400 . 1 . . . . 92 HIS CD2 . 11030 2 1196 . 1 1 97 97 HIS HD2 H 1 7.261 0.020 . 1 . . . . 92 HIS HD2 . 11030 2 1197 . 1 1 97 97 HIS C C 13 174.186 0.400 . 1 . . . . 92 HIS C . 11030 2 1198 . 1 1 98 98 SER N N 15 116.801 0.400 . 1 . . . . 93 SER N . 11030 2 1199 . 1 1 98 98 SER H H 1 8.455 0.020 . 1 . . . . 93 SER H . 11030 2 1200 . 1 1 98 98 SER CA C 13 57.880 0.400 . 1 . . . . 93 SER CA . 11030 2 1201 . 1 1 98 98 SER HA H 1 4.445 0.020 . 1 . . . . 93 SER HA . 11030 2 1202 . 1 1 98 98 SER CB C 13 63.434 0.400 . 1 . . . . 93 SER CB . 11030 2 1203 . 1 1 98 98 SER HB2 H 1 3.853 0.020 . 2 . . . . 93 SER HB2 . 11030 2 1204 . 1 1 98 98 SER HB3 H 1 3.853 0.020 . 2 . . . . 93 SER HB3 . 11030 2 1205 . 1 1 98 98 SER C C 13 174.508 0.400 . 1 . . . . 93 SER C . 11030 2 1206 . 1 1 99 99 GLY N N 15 111.114 0.400 . 1 . . . . 94 GLY N . 11030 2 1207 . 1 1 99 99 GLY H H 1 8.597 0.020 . 1 . . . . 94 GLY H . 11030 2 1208 . 1 1 99 99 GLY CA C 13 44.888 0.400 . 1 . . . . 94 GLY CA . 11030 2 1209 . 1 1 99 99 GLY HA2 H 1 3.998 0.020 . 2 . . . . 94 GLY HA2 . 11030 2 1210 . 1 1 99 99 GLY HA3 H 1 3.998 0.020 . 2 . . . . 94 GLY HA3 . 11030 2 1211 . 1 1 99 99 GLY C C 13 173.856 0.400 . 1 . . . . 94 GLY C . 11030 2 1212 . 1 1 100 100 SER N N 15 115.398 0.400 . 1 . . . . 95 SER N . 11030 2 1213 . 1 1 100 100 SER H H 1 8.311 0.020 . 1 . . . . 95 SER H . 11030 2 1214 . 1 1 100 100 SER CA C 13 57.888 0.400 . 1 . . . . 95 SER CA . 11030 2 1215 . 1 1 100 100 SER HA H 1 4.408 0.020 . 1 . . . . 95 SER HA . 11030 2 1216 . 1 1 100 100 SER CB C 13 63.328 0.400 . 1 . . . . 95 SER CB . 11030 2 1217 . 1 1 100 100 SER HB2 H 1 3.776 0.020 . 2 . . . . 95 SER HB2 . 11030 2 1218 . 1 1 100 100 SER HB3 H 1 3.776 0.020 . 2 . . . . 95 SER HB3 . 11030 2 1219 . 1 1 100 100 SER C C 13 173.725 0.400 . 1 . . . . 95 SER C . 11030 2 1220 . 1 1 101 101 ASP N N 15 121.810 0.400 . 1 . . . . 96 ASP N . 11030 2 1221 . 1 1 101 101 ASP H H 1 8.380 0.020 . 1 . . . . 96 ASP H . 11030 2 1222 . 1 1 101 101 ASP CA C 13 53.813 0.400 . 1 . . . . 96 ASP CA . 11030 2 1223 . 1 1 101 101 ASP HA H 1 4.536 0.020 . 1 . . . . 96 ASP HA . 11030 2 1224 . 1 1 101 101 ASP CB C 13 40.438 0.400 . 1 . . . . 96 ASP CB . 11030 2 1225 . 1 1 101 101 ASP HB2 H 1 2.518 0.020 . 2 . . . . 96 ASP HB2 . 11030 2 1226 . 1 1 101 101 ASP HB3 H 1 2.632 0.020 . 2 . . . . 96 ASP HB3 . 11030 2 1227 . 1 1 101 101 ASP C C 13 175.524 0.400 . 1 . . . . 96 ASP C . 11030 2 1228 . 1 1 102 102 PHE N N 15 120.706 0.400 . 1 . . . . 97 PHE N . 11030 2 1229 . 1 1 102 102 PHE H H 1 8.249 0.020 . 1 . . . . 97 PHE H . 11030 2 1230 . 1 1 102 102 PHE CA C 13 57.323 0.400 . 1 . . . . 97 PHE CA . 11030 2 1231 . 1 1 102 102 PHE HA H 1 4.527 0.020 . 1 . . . . 97 PHE HA . 11030 2 1232 . 1 1 102 102 PHE CB C 13 38.989 0.400 . 1 . . . . 97 PHE CB . 11030 2 1233 . 1 1 102 102 PHE HB2 H 1 3.088 0.020 . 2 . . . . 97 PHE HB2 . 11030 2 1234 . 1 1 102 102 PHE HB3 H 1 2.922 0.020 . 2 . . . . 97 PHE HB3 . 11030 2 1235 . 1 1 102 102 PHE CD1 C 13 131.320 0.400 . 1 . . . . 97 PHE CD1 . 11030 2 1236 . 1 1 102 102 PHE HD1 H 1 7.146 0.020 . 1 . . . . 97 PHE HD1 . 11030 2 1237 . 1 1 102 102 PHE HD2 H 1 7.146 0.020 . 1 . . . . 97 PHE HD2 . 11030 2 1238 . 1 1 102 102 PHE C C 13 175.246 0.400 . 1 . . . . 97 PHE C . 11030 2 1239 . 1 1 103 103 SER N N 15 116.992 0.400 . 1 . . . . 98 SER N . 11030 2 1240 . 1 1 103 103 SER H H 1 8.167 0.020 . 1 . . . . 98 SER H . 11030 2 1241 . 1 1 103 103 SER CA C 13 57.883 0.400 . 1 . . . . 98 SER CA . 11030 2 1242 . 1 1 103 103 SER HA H 1 4.317 0.020 . 1 . . . . 98 SER HA . 11030 2 1243 . 1 1 103 103 SER CB C 13 63.301 0.400 . 1 . . . . 98 SER CB . 11030 2 1244 . 1 1 103 103 SER HB2 H 1 3.728 0.020 . 2 . . . . 98 SER HB2 . 11030 2 1245 . 1 1 103 103 SER HB3 H 1 3.728 0.020 . 2 . . . . 98 SER HB3 . 11030 2 1246 . 1 1 103 103 SER C C 13 173.244 0.400 . 1 . . . . 98 SER C . 11030 2 1247 . 1 1 104 104 PHE N N 15 122.000 0.400 . 1 . . . . 99 PHE N . 11030 2 1248 . 1 1 104 104 PHE H H 1 8.170 0.020 . 1 . . . . 99 PHE H . 11030 2 1249 . 1 1 104 104 PHE CA C 13 57.236 0.400 . 1 . . . . 99 PHE CA . 11030 2 1250 . 1 1 104 104 PHE HA H 1 4.529 0.020 . 1 . . . . 99 PHE HA . 11030 2 1251 . 1 1 104 104 PHE CB C 13 38.997 0.400 . 1 . . . . 99 PHE CB . 11030 2 1252 . 1 1 104 104 PHE HB2 H 1 3.027 0.020 . 2 . . . . 99 PHE HB2 . 11030 2 1253 . 1 1 104 104 PHE HB3 H 1 3.027 0.020 . 2 . . . . 99 PHE HB3 . 11030 2 1254 . 1 1 104 104 PHE CD1 C 13 131.356 0.400 . 1 . . . . 99 PHE CD1 . 11030 2 1255 . 1 1 104 104 PHE HD1 H 1 7.187 0.020 . 1 . . . . 99 PHE HD1 . 11030 2 1256 . 1 1 104 104 PHE HD2 H 1 7.187 0.020 . 1 . . . . 99 PHE HD2 . 11030 2 1257 . 1 1 104 104 PHE C C 13 174.632 0.400 . 1 . . . . 99 PHE C . 11030 2 1258 . 1 1 105 105 ARG N N 15 124.796 0.400 . 1 . . . . 100 ARG N . 11030 2 1259 . 1 1 105 105 ARG H H 1 8.101 0.020 . 1 . . . . 100 ARG H . 11030 2 1260 . 1 1 105 105 ARG CA C 13 52.969 0.400 . 1 . . . . 100 ARG CA . 11030 2 1261 . 1 1 105 105 ARG HA H 1 4.516 0.020 . 1 . . . . 100 ARG HA . 11030 2 1262 . 1 1 105 105 ARG CB C 13 30.069 0.400 . 1 . . . . 100 ARG CB . 11030 2 1263 . 1 1 105 105 ARG HB2 H 1 1.708 0.020 . 2 . . . . 100 ARG HB2 . 11030 2 1264 . 1 1 105 105 ARG HB3 H 1 1.603 0.020 . 2 . . . . 100 ARG HB3 . 11030 2 1265 . 1 1 105 105 ARG CG C 13 26.241 0.400 . 1 . . . . 100 ARG CG . 11030 2 1266 . 1 1 105 105 ARG HG2 H 1 1.542 0.020 . 2 . . . . 100 ARG HG2 . 11030 2 1267 . 1 1 105 105 ARG HG3 H 1 1.542 0.020 . 2 . . . . 100 ARG HG3 . 11030 2 1268 . 1 1 105 105 ARG CD C 13 42.895 0.400 . 1 . . . . 100 ARG CD . 11030 2 1269 . 1 1 105 105 ARG HD2 H 1 3.117 0.020 . 2 . . . . 100 ARG HD2 . 11030 2 1270 . 1 1 105 105 ARG HD3 H 1 3.117 0.020 . 2 . . . . 100 ARG HD3 . 11030 2 1271 . 1 1 105 105 ARG C C 13 172.924 0.400 . 1 . . . . 100 ARG C . 11030 2 1272 . 1 1 106 106 PRO CD C 13 50.206 0.400 . 1 . . . . 101 PRO CD . 11030 2 1273 . 1 1 106 106 PRO CA C 13 62.673 0.400 . 1 . . . . 101 PRO CA . 11030 2 1274 . 1 1 106 106 PRO HA H 1 4.351 0.020 . 1 . . . . 101 PRO HA . 11030 2 1275 . 1 1 106 106 PRO CB C 13 31.726 0.400 . 1 . . . . 101 PRO CB . 11030 2 1276 . 1 1 106 106 PRO HB2 H 1 2.262 0.020 . 2 . . . . 101 PRO HB2 . 11030 2 1277 . 1 1 106 106 PRO HB3 H 1 1.853 0.020 . 2 . . . . 101 PRO HB3 . 11030 2 1278 . 1 1 106 106 PRO CG C 13 26.981 0.400 . 1 . . . . 101 PRO CG . 11030 2 1279 . 1 1 106 106 PRO HG2 H 1 1.961 0.020 . 2 . . . . 101 PRO HG2 . 11030 2 1280 . 1 1 106 106 PRO HG3 H 1 1.961 0.020 . 2 . . . . 101 PRO HG3 . 11030 2 1281 . 1 1 106 106 PRO HD2 H 1 3.594 0.020 . 2 . . . . 101 PRO HD2 . 11030 2 1282 . 1 1 106 106 PRO HD3 H 1 3.551 0.020 . 2 . . . . 101 PRO HD3 . 11030 2 1283 . 1 1 106 106 PRO C C 13 176.395 0.400 . 1 . . . . 101 PRO C . 11030 2 1284 . 1 1 107 107 ILE N N 15 121.380 0.400 . 1 . . . . 102 ILE N . 11030 2 1285 . 1 1 107 107 ILE H H 1 8.350 0.020 . 1 . . . . 102 ILE H . 11030 2 1286 . 1 1 107 107 ILE CA C 13 60.940 0.400 . 1 . . . . 102 ILE CA . 11030 2 1287 . 1 1 107 107 ILE HA H 1 4.039 0.020 . 1 . . . . 102 ILE HA . 11030 2 1288 . 1 1 107 107 ILE CB C 13 38.204 0.400 . 1 . . . . 102 ILE CB . 11030 2 1289 . 1 1 107 107 ILE HB H 1 1.808 0.020 . 1 . . . . 102 ILE HB . 11030 2 1290 . 1 1 107 107 ILE HG21 H 1 0.877 0.020 . 1 . . . . 102 ILE HG2 . 11030 2 1291 . 1 1 107 107 ILE HG22 H 1 0.877 0.020 . 1 . . . . 102 ILE HG2 . 11030 2 1292 . 1 1 107 107 ILE HG23 H 1 0.877 0.020 . 1 . . . . 102 ILE HG2 . 11030 2 1293 . 1 1 107 107 ILE CG2 C 13 17.141 0.400 . 1 . . . . 102 ILE CG2 . 11030 2 1294 . 1 1 107 107 ILE CG1 C 13 27.108 0.400 . 1 . . . . 102 ILE CG1 . 11030 2 1295 . 1 1 107 107 ILE HG12 H 1 1.469 0.020 . 2 . . . . 102 ILE HG12 . 11030 2 1296 . 1 1 107 107 ILE HG13 H 1 1.176 0.020 . 2 . . . . 102 ILE HG13 . 11030 2 1297 . 1 1 107 107 ILE HD11 H 1 0.835 0.020 . 1 . . . . 102 ILE HD1 . 11030 2 1298 . 1 1 107 107 ILE HD12 H 1 0.835 0.020 . 1 . . . . 102 ILE HD1 . 11030 2 1299 . 1 1 107 107 ILE HD13 H 1 0.835 0.020 . 1 . . . . 102 ILE HD1 . 11030 2 1300 . 1 1 107 107 ILE CD1 C 13 12.605 0.400 . 1 . . . . 102 ILE CD1 . 11030 2 1301 . 1 1 107 107 ILE C C 13 175.990 0.400 . 1 . . . . 102 ILE C . 11030 2 1302 . 1 1 108 108 GLU N N 15 124.836 0.400 . 1 . . . . 103 GLU N . 11030 2 1303 . 1 1 108 108 GLU H H 1 8.578 0.020 . 1 . . . . 103 GLU H . 11030 2 1304 . 1 1 108 108 GLU CA C 13 55.883 0.400 . 1 . . . . 103 GLU CA . 11030 2 1305 . 1 1 108 108 GLU HA H 1 4.280 0.020 . 1 . . . . 103 GLU HA . 11030 2 1306 . 1 1 108 108 GLU CB C 13 29.902 0.400 . 1 . . . . 103 GLU CB . 11030 2 1307 . 1 1 108 108 GLU HB2 H 1 1.906 0.020 . 2 . . . . 103 GLU HB2 . 11030 2 1308 . 1 1 108 108 GLU HB3 H 1 1.906 0.020 . 2 . . . . 103 GLU HB3 . 11030 2 1309 . 1 1 108 108 GLU CG C 13 35.729 0.400 . 1 . . . . 103 GLU CG . 11030 2 1310 . 1 1 108 108 GLU HG2 H 1 2.239 0.020 . 2 . . . . 103 GLU HG2 . 11030 2 1311 . 1 1 108 108 GLU HG3 H 1 2.239 0.020 . 2 . . . . 103 GLU HG3 . 11030 2 1312 . 1 1 108 108 GLU C C 13 175.670 0.400 . 1 . . . . 103 GLU C . 11030 2 1313 . 1 1 109 109 GLU N N 15 122.847 0.400 . 1 . . . . 104 GLU N . 11030 2 1314 . 1 1 109 109 GLU H H 1 8.459 0.020 . 1 . . . . 104 GLU H . 11030 2 1315 . 1 1 109 109 GLU CA C 13 55.902 0.400 . 1 . . . . 104 GLU CA . 11030 2 1316 . 1 1 109 109 GLU HA H 1 4.267 0.020 . 1 . . . . 104 GLU HA . 11030 2 1317 . 1 1 109 109 GLU CB C 13 29.985 0.400 . 1 . . . . 104 GLU CB . 11030 2 1318 . 1 1 109 109 GLU HB3 H 1 1.879 0.020 . 2 . . . . 104 GLU HB3 . 11030 2 1319 . 1 1 109 109 GLU CG C 13 35.721 0.400 . 1 . . . . 104 GLU CG . 11030 2 1320 . 1 1 109 109 GLU HG2 H 1 2.234 0.020 . 2 . . . . 104 GLU HG2 . 11030 2 1321 . 1 1 109 109 GLU HG3 H 1 2.234 0.020 . 2 . . . . 104 GLU HG3 . 11030 2 1322 . 1 1 109 109 GLU C C 13 174.661 0.400 . 1 . . . . 104 GLU C . 11030 2 1323 . 1 1 110 110 ALA N N 15 131.124 0.400 . 1 . . . . 105 ALA N . 11030 2 1324 . 1 1 110 110 ALA H H 1 8.096 0.020 . 1 . . . . 105 ALA H . 11030 2 1325 . 1 1 110 110 ALA CA C 13 53.369 0.400 . 1 . . . . 105 ALA CA . 11030 2 1326 . 1 1 110 110 ALA HA H 1 4.061 0.020 . 1 . . . . 105 ALA HA . 11030 2 1327 . 1 1 110 110 ALA HB1 H 1 1.306 0.020 . 1 . . . . 105 ALA HB . 11030 2 1328 . 1 1 110 110 ALA HB2 H 1 1.306 0.020 . 1 . . . . 105 ALA HB . 11030 2 1329 . 1 1 110 110 ALA HB3 H 1 1.306 0.020 . 1 . . . . 105 ALA HB . 11030 2 1330 . 1 1 110 110 ALA CB C 13 19.571 0.400 . 1 . . . . 105 ALA CB . 11030 2 1331 . 1 1 110 110 ALA C C 13 182.321 0.400 . 1 . . . . 105 ALA C . 11030 2 stop_ save_