data_51688 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51688 _Entry.Title ; Chemical shift assignments of truncated structured core of HPy1 repetitive unit from Argiope argentata ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-11-05 _Entry.Accession_date 2022-11-05 _Entry.Last_release_date 2022-11-07 _Entry.Original_release_date 2022-11-07 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _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.ORCID _Entry_author.Entry_ID 1 Jeffrey Simmons . R. . . 51688 2 Jan Rainey . K. . . 51688 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Rainey Lab' . 51688 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51688 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 528 51688 '15N chemical shifts' 144 51688 '1H chemical shifts' 803 51688 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2023-08-03 2022-11-05 update BMRB 'update entry citation' 51688 1 . . 2023-03-14 2022-11-05 original author 'original release' 51688 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51687 'HPy1 repetitive unit from Argiope argentata' 51688 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51688 _Citation.ID 1 _Citation.Name 'entry citation' _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 36802452 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural Features, Intrinsic Disorder, and Modularity of a Pyriform Spidroin 1 Core Repetitive Domain ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochem. Cell Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 101 _Citation.Journal_issue 4 _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 271 _Citation.Page_last 283 _Citation.Year 2023 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Jeffrey Simmons . R. . . 51688 1 2 Genevieve Gasmi-Seabrook . . . . 51688 1 3 Jan Rainey . K. . . 51688 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51688 _Assembly.ID 1 _Assembly.Name 'HPy1 N2C2 v3' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 14627.0483 _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 'HPy1 N2C2 v3' 1 $entity_1 . . yes native no no . . . 51688 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51688 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGHHHHHHSSAPVYFNSQTL TNNLASSLQSLNALNYVSNG QLSSSDVASTVARAVAQSLG LSQGSVQNIMSQQLSSIGSG ASTSSLSQAIANAVSSAVQG SQAAAPGQEQSIAQRVNSAI SSAFAQLISQRTAPAPAPRP RPAS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 144 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14627.0483 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 51688 1 2 . GLY . 51688 1 3 . HIS . 51688 1 4 . HIS . 51688 1 5 . HIS . 51688 1 6 . HIS . 51688 1 7 . HIS . 51688 1 8 . HIS . 51688 1 9 . SER . 51688 1 10 . SER . 51688 1 11 . ALA . 51688 1 12 . PRO . 51688 1 13 . VAL . 51688 1 14 . TYR . 51688 1 15 . PHE . 51688 1 16 . ASN . 51688 1 17 . SER . 51688 1 18 . GLN . 51688 1 19 . THR . 51688 1 20 . LEU . 51688 1 21 . THR . 51688 1 22 . ASN . 51688 1 23 . ASN . 51688 1 24 . LEU . 51688 1 25 . ALA . 51688 1 26 . SER . 51688 1 27 . SER . 51688 1 28 . LEU . 51688 1 29 . GLN . 51688 1 30 . SER . 51688 1 31 . LEU . 51688 1 32 . ASN . 51688 1 33 . ALA . 51688 1 34 . LEU . 51688 1 35 . ASN . 51688 1 36 . TYR . 51688 1 37 . VAL . 51688 1 38 . SER . 51688 1 39 . ASN . 51688 1 40 . GLY . 51688 1 41 . GLN . 51688 1 42 . LEU . 51688 1 43 . SER . 51688 1 44 . SER . 51688 1 45 . SER . 51688 1 46 . ASP . 51688 1 47 . VAL . 51688 1 48 . ALA . 51688 1 49 . SER . 51688 1 50 . THR . 51688 1 51 . VAL . 51688 1 52 . ALA . 51688 1 53 . ARG . 51688 1 54 . ALA . 51688 1 55 . VAL . 51688 1 56 . ALA . 51688 1 57 . GLN . 51688 1 58 . SER . 51688 1 59 . LEU . 51688 1 60 . GLY . 51688 1 61 . LEU . 51688 1 62 . SER . 51688 1 63 . GLN . 51688 1 64 . GLY . 51688 1 65 . SER . 51688 1 66 . VAL . 51688 1 67 . GLN . 51688 1 68 . ASN . 51688 1 69 . ILE . 51688 1 70 . MET . 51688 1 71 . SER . 51688 1 72 . GLN . 51688 1 73 . GLN . 51688 1 74 . LEU . 51688 1 75 . SER . 51688 1 76 . SER . 51688 1 77 . ILE . 51688 1 78 . GLY . 51688 1 79 . SER . 51688 1 80 . GLY . 51688 1 81 . ALA . 51688 1 82 . SER . 51688 1 83 . THR . 51688 1 84 . SER . 51688 1 85 . SER . 51688 1 86 . LEU . 51688 1 87 . SER . 51688 1 88 . GLN . 51688 1 89 . ALA . 51688 1 90 . ILE . 51688 1 91 . ALA . 51688 1 92 . ASN . 51688 1 93 . ALA . 51688 1 94 . VAL . 51688 1 95 . SER . 51688 1 96 . SER . 51688 1 97 . ALA . 51688 1 98 . VAL . 51688 1 99 . GLN . 51688 1 100 . GLY . 51688 1 101 . SER . 51688 1 102 . GLN . 51688 1 103 . ALA . 51688 1 104 . ALA . 51688 1 105 . ALA . 51688 1 106 . PRO . 51688 1 107 . GLY . 51688 1 108 . GLN . 51688 1 109 . GLU . 51688 1 110 . GLN . 51688 1 111 . SER . 51688 1 112 . ILE . 51688 1 113 . ALA . 51688 1 114 . GLN . 51688 1 115 . ARG . 51688 1 116 . VAL . 51688 1 117 . ASN . 51688 1 118 . SER . 51688 1 119 . ALA . 51688 1 120 . ILE . 51688 1 121 . SER . 51688 1 122 . SER . 51688 1 123 . ALA . 51688 1 124 . PHE . 51688 1 125 . ALA . 51688 1 126 . GLN . 51688 1 127 . LEU . 51688 1 128 . ILE . 51688 1 129 . SER . 51688 1 130 . GLN . 51688 1 131 . ARG . 51688 1 132 . THR . 51688 1 133 . ALA . 51688 1 134 . PRO . 51688 1 135 . ALA . 51688 1 136 . PRO . 51688 1 137 . ALA . 51688 1 138 . PRO . 51688 1 139 . ARG . 51688 1 140 . PRO . 51688 1 141 . ARG . 51688 1 142 . PRO . 51688 1 143 . ALA . 51688 1 144 . SER . 51688 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 51688 1 . GLY 2 2 51688 1 . HIS 3 3 51688 1 . HIS 4 4 51688 1 . HIS 5 5 51688 1 . HIS 6 6 51688 1 . HIS 7 7 51688 1 . HIS 8 8 51688 1 . SER 9 9 51688 1 . SER 10 10 51688 1 . ALA 11 11 51688 1 . PRO 12 12 51688 1 . VAL 13 13 51688 1 . TYR 14 14 51688 1 . PHE 15 15 51688 1 . ASN 16 16 51688 1 . SER 17 17 51688 1 . GLN 18 18 51688 1 . THR 19 19 51688 1 . LEU 20 20 51688 1 . THR 21 21 51688 1 . ASN 22 22 51688 1 . ASN 23 23 51688 1 . LEU 24 24 51688 1 . ALA 25 25 51688 1 . SER 26 26 51688 1 . SER 27 27 51688 1 . LEU 28 28 51688 1 . GLN 29 29 51688 1 . SER 30 30 51688 1 . LEU 31 31 51688 1 . ASN 32 32 51688 1 . ALA 33 33 51688 1 . LEU 34 34 51688 1 . ASN 35 35 51688 1 . TYR 36 36 51688 1 . VAL 37 37 51688 1 . SER 38 38 51688 1 . ASN 39 39 51688 1 . GLY 40 40 51688 1 . GLN 41 41 51688 1 . LEU 42 42 51688 1 . SER 43 43 51688 1 . SER 44 44 51688 1 . SER 45 45 51688 1 . ASP 46 46 51688 1 . VAL 47 47 51688 1 . ALA 48 48 51688 1 . SER 49 49 51688 1 . THR 50 50 51688 1 . VAL 51 51 51688 1 . ALA 52 52 51688 1 . ARG 53 53 51688 1 . ALA 54 54 51688 1 . VAL 55 55 51688 1 . ALA 56 56 51688 1 . GLN 57 57 51688 1 . SER 58 58 51688 1 . LEU 59 59 51688 1 . GLY 60 60 51688 1 . LEU 61 61 51688 1 . SER 62 62 51688 1 . GLN 63 63 51688 1 . GLY 64 64 51688 1 . SER 65 65 51688 1 . VAL 66 66 51688 1 . GLN 67 67 51688 1 . ASN 68 68 51688 1 . ILE 69 69 51688 1 . MET 70 70 51688 1 . SER 71 71 51688 1 . GLN 72 72 51688 1 . GLN 73 73 51688 1 . LEU 74 74 51688 1 . SER 75 75 51688 1 . SER 76 76 51688 1 . ILE 77 77 51688 1 . GLY 78 78 51688 1 . SER 79 79 51688 1 . GLY 80 80 51688 1 . ALA 81 81 51688 1 . SER 82 82 51688 1 . THR 83 83 51688 1 . SER 84 84 51688 1 . SER 85 85 51688 1 . LEU 86 86 51688 1 . SER 87 87 51688 1 . GLN 88 88 51688 1 . ALA 89 89 51688 1 . ILE 90 90 51688 1 . ALA 91 91 51688 1 . ASN 92 92 51688 1 . ALA 93 93 51688 1 . VAL 94 94 51688 1 . SER 95 95 51688 1 . SER 96 96 51688 1 . ALA 97 97 51688 1 . VAL 98 98 51688 1 . GLN 99 99 51688 1 . GLY 100 100 51688 1 . SER 101 101 51688 1 . GLN 102 102 51688 1 . ALA 103 103 51688 1 . ALA 104 104 51688 1 . ALA 105 105 51688 1 . PRO 106 106 51688 1 . GLY 107 107 51688 1 . GLN 108 108 51688 1 . GLU 109 109 51688 1 . GLN 110 110 51688 1 . SER 111 111 51688 1 . ILE 112 112 51688 1 . ALA 113 113 51688 1 . GLN 114 114 51688 1 . ARG 115 115 51688 1 . VAL 116 116 51688 1 . ASN 117 117 51688 1 . SER 118 118 51688 1 . ALA 119 119 51688 1 . ILE 120 120 51688 1 . SER 121 121 51688 1 . SER 122 122 51688 1 . ALA 123 123 51688 1 . PHE 124 124 51688 1 . ALA 125 125 51688 1 . GLN 126 126 51688 1 . LEU 127 127 51688 1 . ILE 128 128 51688 1 . SER 129 129 51688 1 . GLN 130 130 51688 1 . ARG 131 131 51688 1 . THR 132 132 51688 1 . ALA 133 133 51688 1 . PRO 134 134 51688 1 . ALA 135 135 51688 1 . PRO 136 136 51688 1 . ALA 137 137 51688 1 . PRO 138 138 51688 1 . ARG 139 139 51688 1 . PRO 140 140 51688 1 . ARG 141 141 51688 1 . PRO 142 142 51688 1 . ALA 143 143 51688 1 . SER 144 144 51688 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51688 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 233271 organism . 'Argiope argentata' 'Argiope argentata' . . Eukaryota Metazoa Argiope argentata . . . . . . . . . . . PySp1 . 51688 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51688 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . plasmid . . pET32 . . . 51688 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51688 _Sample.ID 1 _Sample.Name 'd9 70 d 206 242 HPy1' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 DSS 'natural abundance' . . . . . . 1.0 . . mM . . . . 51688 1 2 NaN3 'natural abundance' . . . . . . 1.0 . . mM . . . . 51688 1 3 'HPy1 N2C2 v3' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 51688 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 51688 _Sample_condition_list.ID 1 _Sample_condition_list.Name 1 _Sample_condition_list.Details pH6_potassium_phosphate loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.050 . M 51688 1 pH 6.000 . pH 51688 1 pressure 1.000 . atm 51688 1 temperature 313.150 . K 51688 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51688 _Software.ID 1 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version 2.4 _Software.DOI . _Software.Details 'The CCPN NMR assignment and data analysis application' loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51688 1 'data analysis' . 51688 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51688 _Software.ID 2 _Software.Type . _Software.Name DANGLE _Software.Version 1.1 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 51688 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51688 _Software.ID 3 _Software.Type . _Software.Name PyRPF _Software.Version 0.4 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 51688 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51688 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'QUANUC 800' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Ascend _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51688 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51688 1 2 'N2C2 CbCaCONH (H[N[co[{CA|ca[C]}]]])' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51688 1 3 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51688 1 4 'N2C2 HNCaCO (HNcaCO)' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51688 1 5 '2D 1H-15N HSQC/HMQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51688 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51688 1 7 '3D HCCH-COSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51688 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51688 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51688 1 10 '2D 1H-13C HSQC/HMQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51688 1 stop_ save_ save_computing_platform_1 _Computing_platform.Sf_category computing_platform _Computing_platform.Sf_framecode computing_platform_1 _Computing_platform.Entry_ID 51688 _Computing_platform.ID 1 _Computing_platform.Name NMRbox _Computing_platform.Reference_ID . _Computing_platform.Site 'University of Connecticut' _Computing_platform.Site_reference_ID . _Computing_platform.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 51688 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'chemical shift reference 1' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 internal indirect 0.251449 . . . . . 51688 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . 51688 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 internal indirect 0.1013 . . . . . 51688 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51688 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'assigned chem shift list' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_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 '3D HNCACB' . . . 51688 1 2 'N2C2 CbCaCONH (H[N[co[{CA|ca[C]}]]])' . . . 51688 1 3 '3D HNCO' . . . 51688 1 4 'N2C2 HNCaCO (HNcaCO)' . . . 51688 1 5 '2D 1H-15N HSQC/HMQC' . . . 51688 1 6 '3D 1H-15N NOESY' . . . 51688 1 7 '3D HCCH-COSY' . . . 51688 1 8 '3D HCCH-TOCSY' . . . 51688 1 9 '3D 1H-13C NOESY' . . . 51688 1 10 '2D 1H-13C HSQC/HMQC' . . . 51688 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 1 $software_1 . . 51688 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 10 10 SER H H 1 8.347 0.012 . 1 . . 634 . . 10 SER H . 51688 1 2 . 1 . 1 10 10 SER HA H 1 4.481 0.001 . 1 . . 1327 . . 10 SER HA . 51688 1 3 . 1 . 1 10 10 SER C C 13 173.660 . . 1 . . 549 . . 10 SER C . 51688 1 4 . 1 . 1 10 10 SER CA C 13 58.255 0.051 . 1 . . 636 . . 10 SER CA . 51688 1 5 . 1 . 1 10 10 SER CB C 13 64.027 0.037 . 1 . . 623 . . 10 SER CB . 51688 1 6 . 1 . 1 10 10 SER N N 15 118.120 0.061 . 1 . . 635 . . 10 SER N . 51688 1 7 . 1 . 1 11 11 ALA H H 1 8.142 0.011 . 1 . . 535 . . 11 ALA H . 51688 1 8 . 1 . 1 11 11 ALA HA H 1 4.595 0.017 . 1 . . 939 . . 11 ALA HA . 51688 1 9 . 1 . 1 11 11 ALA HB1 H 1 1.357 0.007 . 1 . . 940 . . 11 ALA HB1 . 51688 1 10 . 1 . 1 11 11 ALA HB2 H 1 1.357 0.007 . 1 . . 940 . . 11 ALA HB2 . 51688 1 11 . 1 . 1 11 11 ALA HB3 H 1 1.357 0.007 . 1 . . 940 . . 11 ALA HB3 . 51688 1 12 . 1 . 1 11 11 ALA C C 13 175.318 0.012 . 1 . . 539 . . 11 ALA C . 51688 1 13 . 1 . 1 11 11 ALA CA C 13 50.635 0.005 . 1 . . 537 . . 11 ALA CA . 51688 1 14 . 1 . 1 11 11 ALA CB C 13 18.408 0.048 . 1 . . 538 . . 11 ALA CB . 51688 1 15 . 1 . 1 11 11 ALA N N 15 126.895 0.029 . 1 . . 536 . . 11 ALA N . 51688 1 16 . 1 . 1 12 12 PRO HA H 1 4.396 0.007 . 1 . . 1112 . . 12 PRO HA . 51688 1 17 . 1 . 1 12 12 PRO HB2 H 1 2.188 0.003 . 1 . . 1348 . . 12 PRO HB2 . 51688 1 18 . 1 . 1 12 12 PRO HB3 H 1 2.188 0.003 . 1 . . 1306 . . 12 PRO HB3 . 51688 1 19 . 1 . 1 12 12 PRO HG2 H 1 1.718 . . 1 . . 1349 . . 12 PRO HG2 . 51688 1 20 . 1 . 1 12 12 PRO HG3 H 1 1.718 . . 1 . . 1330 . . 12 PRO HG3 . 51688 1 21 . 1 . 1 12 12 PRO HD2 H 1 3.630 . . 1 . . 1351 . . 12 PRO HD2 . 51688 1 22 . 1 . 1 12 12 PRO HD3 H 1 3.630 . . 1 . . 1352 . . 12 PRO HD3 . 51688 1 23 . 1 . 1 12 12 PRO C C 13 176.223 . . 1 . . 552 . . 12 PRO C . 51688 1 24 . 1 . 1 12 12 PRO CA C 13 63.092 0.042 . 1 . . 964 . . 12 PRO CA . 51688 1 25 . 1 . 1 12 12 PRO CB C 13 32.107 0.056 . 1 . . 624 . . 12 PRO CB . 51688 1 26 . 1 . 1 13 13 VAL H H 1 7.920 0.006 . 1 . . 550 . . 13 VAL H . 51688 1 27 . 1 . 1 13 13 VAL HA H 1 4.114 0.007 . 1 . . 1048 . . 13 VAL HA . 51688 1 28 . 1 . 1 13 13 VAL HB H 1 1.951 0.007 . 1 . . 1049 . . 13 VAL HB . 51688 1 29 . 1 . 1 13 13 VAL HG11 H 1 0.864 0.006 . 2 . . 1050 . . 13 VAL HG11 . 51688 1 30 . 1 . 1 13 13 VAL HG12 H 1 0.864 0.006 . 2 . . 1050 . . 13 VAL HG12 . 51688 1 31 . 1 . 1 13 13 VAL HG13 H 1 0.864 0.006 . 2 . . 1050 . . 13 VAL HG13 . 51688 1 32 . 1 . 1 13 13 VAL HG21 H 1 0.846 0.008 . 2 . . 1051 . . 13 VAL HG21 . 51688 1 33 . 1 . 1 13 13 VAL HG22 H 1 0.846 0.008 . 2 . . 1051 . . 13 VAL HG22 . 51688 1 34 . 1 . 1 13 13 VAL HG23 H 1 0.846 0.008 . 2 . . 1051 . . 13 VAL HG23 . 51688 1 35 . 1 . 1 13 13 VAL C C 13 175.135 0.009 . 1 . . 553 . . 13 VAL C . 51688 1 36 . 1 . 1 13 13 VAL CA C 13 61.895 0.029 . 1 . . 962 . . 13 VAL CA . 51688 1 37 . 1 . 1 13 13 VAL CB C 13 33.181 0.064 . 1 . . 963 . . 13 VAL CB . 51688 1 38 . 1 . 1 13 13 VAL CG1 C 13 20.378 0.029 . 2 . . 1052 . . 13 VAL CG1 . 51688 1 39 . 1 . 1 13 13 VAL CG2 C 13 21.469 0.074 . 2 . . 1053 . . 13 VAL CG2 . 51688 1 40 . 1 . 1 13 13 VAL N N 15 118.713 0.033 . 1 . . 551 . . 13 VAL N . 51688 1 41 . 1 . 1 14 14 TYR H H 1 8.002 0.005 . 1 . . 212 . . 14 TYR H . 51688 1 42 . 1 . 1 14 14 TYR HA H 1 4.837 0.01 . 1 . . 1025 . . 14 TYR HA . 51688 1 43 . 1 . 1 14 14 TYR HB2 H 1 2.858 0.005 . 2 . . 1024 . . 14 TYR HB2 . 51688 1 44 . 1 . 1 14 14 TYR HB3 H 1 3.156 0.005 . 2 . . 1026 . . 14 TYR HB3 . 51688 1 45 . 1 . 1 14 14 TYR HD1 H 1 7.133 0.007 . 1 . . 1170 . . 14 TYR HD1 . 51688 1 46 . 1 . 1 14 14 TYR HD2 H 1 7.133 0.007 . 1 . . 1170 . . 14 TYR HD2 . 51688 1 47 . 1 . 1 14 14 TYR HE1 H 1 6.801 0.0 . 1 . . 1175 . . 14 TYR HE1 . 51688 1 48 . 1 . 1 14 14 TYR HE2 H 1 6.801 0.0 . 1 . . 1175 . . 14 TYR HE2 . 51688 1 49 . 1 . 1 14 14 TYR C C 13 175.162 0.012 . 1 . . 214 . . 14 TYR C . 51688 1 50 . 1 . 1 14 14 TYR CA C 13 56.546 0.044 . 1 . . 215 . . 14 TYR CA . 51688 1 51 . 1 . 1 14 14 TYR CB C 13 40.273 0.039 . 1 . . 216 . . 14 TYR CB . 51688 1 52 . 1 . 1 14 14 TYR CD1 C 13 133.529 . . 1 . . 1171 . . 14 TYR CD1 . 51688 1 53 . 1 . 1 14 14 TYR CD2 C 13 133.529 . . 1 . . 1171 . . 14 TYR CD2 . 51688 1 54 . 1 . 1 14 14 TYR CE1 C 13 118.587 . . 1 . . 1177 . . 14 TYR CE1 . 51688 1 55 . 1 . 1 14 14 TYR CE2 C 13 118.587 . . 1 . . 1177 . . 14 TYR CE2 . 51688 1 56 . 1 . 1 14 14 TYR N N 15 121.746 0.04 . 1 . . 213 . . 14 TYR N . 51688 1 57 . 1 . 1 15 15 PHE H H 1 8.836 0.006 . 1 . . 207 . . 15 PHE H . 51688 1 58 . 1 . 1 15 15 PHE HA H 1 4.278 0.008 . 1 . . 1015 . . 15 PHE HA . 51688 1 59 . 1 . 1 15 15 PHE HB2 H 1 3.021 0.005 . 2 . . 1016 . . 15 PHE HB2 . 51688 1 60 . 1 . 1 15 15 PHE HB3 H 1 2.835 0.005 . 2 . . 1017 . . 15 PHE HB3 . 51688 1 61 . 1 . 1 15 15 PHE HD1 H 1 7.050 0.005 . 1 . . 1180 . . 15 PHE HD1 . 51688 1 62 . 1 . 1 15 15 PHE HD2 H 1 7.050 0.005 . 1 . . 1180 . . 15 PHE HD2 . 51688 1 63 . 1 . 1 15 15 PHE HE1 H 1 7.051 0.006 . 1 . . 1295 . . 15 PHE HE1 . 51688 1 64 . 1 . 1 15 15 PHE HE2 H 1 7.051 0.006 . 1 . . 1295 . . 15 PHE HE2 . 51688 1 65 . 1 . 1 15 15 PHE HZ H 1 7.214 0.014 . 1 . . 1296 . . 15 PHE HZ . 51688 1 66 . 1 . 1 15 15 PHE C C 13 174.174 0.014 . 1 . . 211 . . 15 PHE C . 51688 1 67 . 1 . 1 15 15 PHE CA C 13 58.639 0.035 . 1 . . 209 . . 15 PHE CA . 51688 1 68 . 1 . 1 15 15 PHE CB C 13 40.272 0.041 . 1 . . 210 . . 15 PHE CB . 51688 1 69 . 1 . 1 15 15 PHE CD1 C 13 132.938 . . 1 . . 1181 . . 15 PHE CD1 . 51688 1 70 . 1 . 1 15 15 PHE CD2 C 13 132.938 . . 1 . . 1181 . . 15 PHE CD2 . 51688 1 71 . 1 . 1 15 15 PHE CE1 C 13 130.830 . . 1 . . 1294 . . 15 PHE CE1 . 51688 1 72 . 1 . 1 15 15 PHE CE2 C 13 130.830 . . 1 . . 1294 . . 15 PHE CE2 . 51688 1 73 . 1 . 1 15 15 PHE CZ C 13 129.576 . . 1 . . 1297 . . 15 PHE CZ . 51688 1 74 . 1 . 1 15 15 PHE N N 15 124.099 0.025 . 1 . . 208 . . 15 PHE N . 51688 1 75 . 1 . 1 16 16 ASN H H 1 9.745 0.01 . 1 . . 202 . . 16 ASN H . 51688 1 76 . 1 . 1 16 16 ASN HA H 1 4.743 0.011 . 1 . . 1032 . . 16 ASN HA . 51688 1 77 . 1 . 1 16 16 ASN HB2 H 1 2.940 0.009 . 2 . . 1033 . . 16 ASN HB2 . 51688 1 78 . 1 . 1 16 16 ASN HB3 H 1 2.462 0.006 . 2 . . 1034 . . 16 ASN HB3 . 51688 1 79 . 1 . 1 16 16 ASN HD21 H 1 7.465 0.003 . 1 . . 1238 . . 16 ASN HD21 . 51688 1 80 . 1 . 1 16 16 ASN HD22 H 1 6.797 0.008 . 1 . . 1240 . . 16 ASN HD22 . 51688 1 81 . 1 . 1 16 16 ASN C C 13 174.520 0.002 . 1 . . 204 . . 16 ASN C . 51688 1 82 . 1 . 1 16 16 ASN CA C 13 51.956 0.057 . 1 . . 205 . . 16 ASN CA . 51688 1 83 . 1 . 1 16 16 ASN CB C 13 38.277 0.045 . 1 . . 206 . . 16 ASN CB . 51688 1 84 . 1 . 1 16 16 ASN CG C 13 177.786 0.006 . 1 . . 1241 . . 16 ASN CG . 51688 1 85 . 1 . 1 16 16 ASN N N 15 129.846 0.042 . 1 . . 203 . . 16 ASN N . 51688 1 86 . 1 . 1 16 16 ASN ND2 N 15 111.734 0.058 . 1 . . 1239 . . 16 ASN ND2 . 51688 1 87 . 1 . 1 17 17 SER H H 1 8.379 0.011 . 1 . . 199 . . 17 SER H . 51688 1 88 . 1 . 1 17 17 SER HA H 1 4.279 0.005 . 1 . . 1008 . . 17 SER HA . 51688 1 89 . 1 . 1 17 17 SER HB2 H 1 3.990 0.013 . 2 . . 1282 . . 17 SER HB2 . 51688 1 90 . 1 . 1 17 17 SER HB3 H 1 4.609 0.012 . 2 . . 1283 . . 17 SER HB3 . 51688 1 91 . 1 . 1 17 17 SER C C 13 176.145 0.025 . 1 . . 625 . . 17 SER C . 51688 1 92 . 1 . 1 17 17 SER CA C 13 61.755 0.006 . 1 . . 201 . . 17 SER CA . 51688 1 93 . 1 . 1 17 17 SER CB C 13 62.873 0.044 . 1 . . 965 . . 17 SER CB . 51688 1 94 . 1 . 1 17 17 SER N N 15 120.628 0.042 . 1 . . 200 . . 17 SER N . 51688 1 95 . 1 . 1 18 18 GLN H H 1 8.282 0.006 . 1 . . 510 . . 18 GLN H . 51688 1 96 . 1 . 1 18 18 GLN HA H 1 4.049 0.008 . 1 . . 1054 . . 18 GLN HA . 51688 1 97 . 1 . 1 18 18 GLN HB2 H 1 2.141 0.004 . 2 . . 1162 . . 18 GLN HB2 . 51688 1 98 . 1 . 1 18 18 GLN HB3 H 1 2.141 0.004 . 2 . . 1163 . . 18 GLN HB3 . 51688 1 99 . 1 . 1 18 18 GLN HG2 H 1 2.367 0.003 . 1 . . 1164 . . 18 GLN HG2 . 51688 1 100 . 1 . 1 18 18 GLN HG3 H 1 2.367 0.003 . 1 . . 1165 . . 18 GLN HG3 . 51688 1 101 . 1 . 1 18 18 GLN HE21 H 1 7.434 0.004 . 1 . . 1185 . . 18 GLN HE21 . 51688 1 102 . 1 . 1 18 18 GLN HE22 H 1 6.867 0.006 . 1 . . 1186 . . 18 GLN HE22 . 51688 1 103 . 1 . 1 18 18 GLN C C 13 177.799 0.001 . 1 . . 512 . . 18 GLN C . 51688 1 104 . 1 . 1 18 18 GLN CA C 13 59.189 0.02 . 1 . . 514 . . 18 GLN CA . 51688 1 105 . 1 . 1 18 18 GLN CB C 13 28.096 0.047 . 1 . . 513 . . 18 GLN CB . 51688 1 106 . 1 . 1 18 18 GLN CG C 13 34.176 0.014 . 1 . . 1187 . . 18 GLN CG . 51688 1 107 . 1 . 1 18 18 GLN CD C 13 180.502 0.018 . 1 . . 1188 . . 18 GLN CD . 51688 1 108 . 1 . 1 18 18 GLN N N 15 122.821 0.049 . 1 . . 511 . . 18 GLN N . 51688 1 109 . 1 . 1 18 18 GLN NE2 N 15 112.687 0.044 . 1 . . 1195 . . 18 GLN NE2 . 51688 1 110 . 1 . 1 19 19 THR H H 1 7.614 0.005 . 1 . . 290 . . 19 THR H . 51688 1 111 . 1 . 1 19 19 THR HA H 1 3.893 0.014 . 1 . . 740 . . 19 THR HA . 51688 1 112 . 1 . 1 19 19 THR HB H 1 3.921 0.006 . 1 . . 1133 . . 19 THR HB . 51688 1 113 . 1 . 1 19 19 THR HG21 H 1 1.096 0.004 . 1 . . 1134 . . 19 THR HG21 . 51688 1 114 . 1 . 1 19 19 THR HG22 H 1 1.096 0.004 . 1 . . 1134 . . 19 THR HG22 . 51688 1 115 . 1 . 1 19 19 THR HG23 H 1 1.096 0.004 . 1 . . 1134 . . 19 THR HG23 . 51688 1 116 . 1 . 1 19 19 THR C C 13 176.654 0.014 . 1 . . 1141 . . 19 THR C . 51688 1 117 . 1 . 1 19 19 THR CA C 13 66.257 0.031 . 1 . . 292 . . 19 THR CA . 51688 1 118 . 1 . 1 19 19 THR CB C 13 68.491 0.035 . 1 . . 293 . . 19 THR CB . 51688 1 119 . 1 . 1 19 19 THR CG2 C 13 22.396 0.038 . 1 . . 1135 . . 19 THR CG2 . 51688 1 120 . 1 . 1 19 19 THR N N 15 116.753 0.024 . 1 . . 291 . . 19 THR N . 51688 1 121 . 1 . 1 20 20 LEU H H 1 7.089 0.008 . 1 . . 294 . . 20 LEU H . 51688 1 122 . 1 . 1 20 20 LEU HA H 1 3.946 0.007 . 1 . . 594 . . 20 LEU HA . 51688 1 123 . 1 . 1 20 20 LEU HB2 H 1 2.163 0.007 . 2 . . 637 . . 20 LEU HB2 . 51688 1 124 . 1 . 1 20 20 LEU HB3 H 1 1.310 0.008 . 2 . . 1121 . . 20 LEU HB3 . 51688 1 125 . 1 . 1 20 20 LEU HG H 1 1.675 0.008 . 1 . . 748 . . 20 LEU HG . 51688 1 126 . 1 . 1 20 20 LEU HD11 H 1 1.074 0.01 . 2 . . 638 . . 20 LEU HD11 . 51688 1 127 . 1 . 1 20 20 LEU HD12 H 1 1.074 0.01 . 2 . . 638 . . 20 LEU HD12 . 51688 1 128 . 1 . 1 20 20 LEU HD13 H 1 1.074 0.01 . 2 . . 638 . . 20 LEU HD13 . 51688 1 129 . 1 . 1 20 20 LEU HD21 H 1 1.067 0.007 . 2 . . 1254 . . 20 LEU HD21 . 51688 1 130 . 1 . 1 20 20 LEU HD22 H 1 1.067 0.007 . 2 . . 1254 . . 20 LEU HD22 . 51688 1 131 . 1 . 1 20 20 LEU HD23 H 1 1.067 0.007 . 2 . . 1254 . . 20 LEU HD23 . 51688 1 132 . 1 . 1 20 20 LEU C C 13 177.131 0.023 . 1 . . 296 . . 20 LEU C . 51688 1 133 . 1 . 1 20 20 LEU CA C 13 59.160 0.032 . 1 . . 297 . . 20 LEU CA . 51688 1 134 . 1 . 1 20 20 LEU CB C 13 41.473 0.021 . 1 . . 298 . . 20 LEU CB . 51688 1 135 . 1 . 1 20 20 LEU CG C 13 27.550 0.041 . 1 . . 749 . . 20 LEU CG . 51688 1 136 . 1 . 1 20 20 LEU CD1 C 13 26.575 0.03 . 2 . . 747 . . 20 LEU CD1 . 51688 1 137 . 1 . 1 20 20 LEU CD2 C 13 24.407 0.039 . 2 . . 1253 . . 20 LEU CD2 . 51688 1 138 . 1 . 1 20 20 LEU N N 15 121.429 0.027 . 1 . . 295 . . 20 LEU N . 51688 1 139 . 1 . 1 21 21 THR H H 1 8.587 0.008 . 1 . . 300 . . 21 THR H . 51688 1 140 . 1 . 1 21 21 THR HA H 1 3.595 0.005 . 1 . . 604 . . 21 THR HA . 51688 1 141 . 1 . 1 21 21 THR HB H 1 4.197 0.007 . 1 . . 738 . . 21 THR HB . 51688 1 142 . 1 . 1 21 21 THR HG21 H 1 1.173 0.009 . 1 . . 739 . . 21 THR HG21 . 51688 1 143 . 1 . 1 21 21 THR HG22 H 1 1.173 0.009 . 1 . . 739 . . 21 THR HG22 . 51688 1 144 . 1 . 1 21 21 THR HG23 H 1 1.173 0.009 . 1 . . 739 . . 21 THR HG23 . 51688 1 145 . 1 . 1 21 21 THR C C 13 175.858 0.017 . 1 . . 301 . . 21 THR C . 51688 1 146 . 1 . 1 21 21 THR CA C 13 67.249 0.029 . 1 . . 302 . . 21 THR CA . 51688 1 147 . 1 . 1 21 21 THR CB C 13 68.606 0.087 . 1 . . 303 . . 21 THR CB . 51688 1 148 . 1 . 1 21 21 THR CG2 C 13 22.335 0.023 . 1 . . 1138 . . 21 THR CG2 . 51688 1 149 . 1 . 1 21 21 THR N N 15 115.158 0.02 . 1 . . 299 . . 21 THR N . 51688 1 150 . 1 . 1 22 22 ASN H H 1 8.586 0.008 . 1 . . 304 . . 22 ASN H . 51688 1 151 . 1 . 1 22 22 ASN HA H 1 4.404 0.012 . 1 . . 1031 . . 22 ASN HA . 51688 1 152 . 1 . 1 22 22 ASN HB2 H 1 2.801 0.009 . 2 . . 1029 . . 22 ASN HB2 . 51688 1 153 . 1 . 1 22 22 ASN HB3 H 1 2.881 0.016 . 2 . . 1030 . . 22 ASN HB3 . 51688 1 154 . 1 . 1 22 22 ASN HD21 H 1 7.486 0.007 . 1 . . 1210 . . 22 ASN HD21 . 51688 1 155 . 1 . 1 22 22 ASN HD22 H 1 6.868 0.003 . 1 . . 1211 . . 22 ASN HD22 . 51688 1 156 . 1 . 1 22 22 ASN C C 13 178.324 0.01 . 1 . . 306 . . 22 ASN C . 51688 1 157 . 1 . 1 22 22 ASN CA C 13 56.219 0.016 . 1 . . 307 . . 22 ASN CA . 51688 1 158 . 1 . 1 22 22 ASN CB C 13 38.003 0.064 . 1 . . 308 . . 22 ASN CB . 51688 1 159 . 1 . 1 22 22 ASN CG C 13 176.023 . . 1 . . 1208 . . 22 ASN CG . 51688 1 160 . 1 . 1 22 22 ASN N N 15 119.192 0.034 . 1 . . 305 . . 22 ASN N . 51688 1 161 . 1 . 1 22 22 ASN ND2 N 15 111.131 0.046 . 1 . . 1209 . . 22 ASN ND2 . 51688 1 162 . 1 . 1 23 23 ASN H H 1 8.014 0.009 . 1 . . 309 . . 23 ASN H . 51688 1 163 . 1 . 1 23 23 ASN HA H 1 4.409 0.008 . 1 . . 922 . . 23 ASN HA . 51688 1 164 . 1 . 1 23 23 ASN HB2 H 1 2.782 0.006 . 2 . . 923 . . 23 ASN HB2 . 51688 1 165 . 1 . 1 23 23 ASN HB3 H 1 2.646 0.009 . 2 . . 924 . . 23 ASN HB3 . 51688 1 166 . 1 . 1 23 23 ASN HD21 H 1 7.206 0.013 . 1 . . 1159 . . 23 ASN HD21 . 51688 1 167 . 1 . 1 23 23 ASN HD22 H 1 7.121 0.009 . 1 . . 1160 . . 23 ASN HD22 . 51688 1 168 . 1 . 1 23 23 ASN C C 13 177.736 0.004 . 1 . . 311 . . 23 ASN C . 51688 1 169 . 1 . 1 23 23 ASN CA C 13 56.700 0.019 . 1 . . 966 . . 23 ASN CA . 51688 1 170 . 1 . 1 23 23 ASN CB C 13 39.028 0.045 . 1 . . 312 . . 23 ASN CB . 51688 1 171 . 1 . 1 23 23 ASN CG C 13 175.756 0.013 . 1 . . 1189 . . 23 ASN CG . 51688 1 172 . 1 . 1 23 23 ASN N N 15 118.633 0.026 . 1 . . 310 . . 23 ASN N . 51688 1 173 . 1 . 1 23 23 ASN ND2 N 15 110.451 0.036 . 1 . . 1161 . . 23 ASN ND2 . 51688 1 174 . 1 . 1 24 24 LEU H H 1 8.429 0.008 . 1 . . 313 . . 24 LEU H . 51688 1 175 . 1 . 1 24 24 LEU HA H 1 4.286 0.008 . 1 . . 916 . . 24 LEU HA . 51688 1 176 . 1 . 1 24 24 LEU HB2 H 1 1.694 0.015 . 2 . . 921 . . 24 LEU HB2 . 51688 1 177 . 1 . 1 24 24 LEU HB3 H 1 1.664 0.008 . 2 . . 1123 . . 24 LEU HB3 . 51688 1 178 . 1 . 1 24 24 LEU HG H 1 1.667 0.008 . 1 . . 919 . . 24 LEU HG . 51688 1 179 . 1 . 1 24 24 LEU HD11 H 1 0.912 0.012 . 2 . . 917 . . 24 LEU HD11 . 51688 1 180 . 1 . 1 24 24 LEU HD12 H 1 0.912 0.012 . 2 . . 917 . . 24 LEU HD12 . 51688 1 181 . 1 . 1 24 24 LEU HD13 H 1 0.912 0.012 . 2 . . 917 . . 24 LEU HD13 . 51688 1 182 . 1 . 1 24 24 LEU HD21 H 1 0.993 0.006 . 2 . . 1256 . . 24 LEU HD21 . 51688 1 183 . 1 . 1 24 24 LEU HD22 H 1 0.993 0.006 . 2 . . 1256 . . 24 LEU HD22 . 51688 1 184 . 1 . 1 24 24 LEU HD23 H 1 0.993 0.006 . 2 . . 1256 . . 24 LEU HD23 . 51688 1 185 . 1 . 1 24 24 LEU C C 13 177.678 0.022 . 1 . . 544 . . 24 LEU C . 51688 1 186 . 1 . 1 24 24 LEU CA C 13 57.625 0.023 . 1 . . 925 . . 24 LEU CA . 51688 1 187 . 1 . 1 24 24 LEU CB C 13 42.683 0.05 . 1 . . 315 . . 24 LEU CB . 51688 1 188 . 1 . 1 24 24 LEU CG C 13 27.410 0.0 . 1 . . 918 . . 24 LEU CG . 51688 1 189 . 1 . 1 24 24 LEU CD1 C 13 25.812 0.015 . 2 . . 920 . . 24 LEU CD1 . 51688 1 190 . 1 . 1 24 24 LEU CD2 C 13 24.844 0.023 . 2 . . 1255 . . 24 LEU CD2 . 51688 1 191 . 1 . 1 24 24 LEU N N 15 120.414 0.035 . 1 . . 314 . . 24 LEU N . 51688 1 192 . 1 . 1 25 25 ALA H H 1 8.888 0.012 . 1 . . 316 . . 25 ALA H . 51688 1 193 . 1 . 1 25 25 ALA HA H 1 3.830 0.008 . 1 . . 593 . . 25 ALA HA . 51688 1 194 . 1 . 1 25 25 ALA HB1 H 1 1.360 0.005 . 1 . . 602 . . 25 ALA HB1 . 51688 1 195 . 1 . 1 25 25 ALA HB2 H 1 1.360 0.005 . 1 . . 602 . . 25 ALA HB2 . 51688 1 196 . 1 . 1 25 25 ALA HB3 H 1 1.360 0.005 . 1 . . 602 . . 25 ALA HB3 . 51688 1 197 . 1 . 1 25 25 ALA C C 13 179.762 0.021 . 1 . . 318 . . 25 ALA C . 51688 1 198 . 1 . 1 25 25 ALA CA C 13 55.884 0.041 . 1 . . 967 . . 25 ALA CA . 51688 1 199 . 1 . 1 25 25 ALA CB C 13 17.820 0.083 . 1 . . 319 . . 25 ALA CB . 51688 1 200 . 1 . 1 25 25 ALA N N 15 121.412 0.044 . 1 . . 317 . . 25 ALA N . 51688 1 201 . 1 . 1 26 26 SER H H 1 7.534 0.008 . 1 . . 320 . . 26 SER H . 51688 1 202 . 1 . 1 26 26 SER HA H 1 4.199 0.005 . 1 . . 1005 . . 26 SER HA . 51688 1 203 . 1 . 1 26 26 SER HB2 H 1 3.962 0.007 . 2 . . 1006 . . 26 SER HB2 . 51688 1 204 . 1 . 1 26 26 SER HB3 H 1 3.960 0.007 . 2 . . 1007 . . 26 SER HB3 . 51688 1 205 . 1 . 1 26 26 SER C C 13 177.218 0.03 . 1 . . 322 . . 26 SER C . 51688 1 206 . 1 . 1 26 26 SER CA C 13 61.383 0.033 . 1 . . 323 . . 26 SER CA . 51688 1 207 . 1 . 1 26 26 SER CB C 13 63.041 0.046 . 1 . . 324 . . 26 SER CB . 51688 1 208 . 1 . 1 26 26 SER N N 15 109.869 0.018 . 1 . . 321 . . 26 SER N . 51688 1 209 . 1 . 1 27 27 SER H H 1 7.825 0.007 . 1 . . 325 . . 27 SER H . 51688 1 210 . 1 . 1 27 27 SER HA H 1 4.257 0.016 . 1 . . 1155 . . 27 SER HA . 51688 1 211 . 1 . 1 27 27 SER HB2 H 1 3.921 0.004 . 2 . . 1153 . . 27 SER HB2 . 51688 1 212 . 1 . 1 27 27 SER HB3 H 1 3.883 0.012 . 2 . . 1154 . . 27 SER HB3 . 51688 1 213 . 1 . 1 27 27 SER C C 13 177.081 0.02 . 1 . . 455 . . 27 SER C . 51688 1 214 . 1 . 1 27 27 SER CA C 13 61.847 0.027 . 1 . . 328 . . 27 SER CA . 51688 1 215 . 1 . 1 27 27 SER CB C 13 62.944 0.033 . 1 . . 327 . . 27 SER CB . 51688 1 216 . 1 . 1 27 27 SER N N 15 117.567 0.031 . 1 . . 326 . . 27 SER N . 51688 1 217 . 1 . 1 28 28 LEU H H 1 8.524 0.007 . 1 . . 456 . . 28 LEU H . 51688 1 218 . 1 . 1 28 28 LEU HA H 1 4.163 0.008 . 1 . . 719 . . 28 LEU HA . 51688 1 219 . 1 . 1 28 28 LEU HB2 H 1 1.341 0.007 . 2 . . 605 . . 28 LEU HB2 . 51688 1 220 . 1 . 1 28 28 LEU HB3 H 1 1.965 0.013 . 2 . . 606 . . 28 LEU HB3 . 51688 1 221 . 1 . 1 28 28 LEU HG H 1 1.994 0.005 . 1 . . 1259 . . 28 LEU HG . 51688 1 222 . 1 . 1 28 28 LEU HD11 H 1 0.840 0.009 . 2 . . 750 . . 28 LEU HD11 . 51688 1 223 . 1 . 1 28 28 LEU HD12 H 1 0.840 0.009 . 2 . . 750 . . 28 LEU HD12 . 51688 1 224 . 1 . 1 28 28 LEU HD13 H 1 0.840 0.009 . 2 . . 750 . . 28 LEU HD13 . 51688 1 225 . 1 . 1 28 28 LEU HD21 H 1 0.903 0.008 . 2 . . 1257 . . 28 LEU HD21 . 51688 1 226 . 1 . 1 28 28 LEU HD22 H 1 0.903 0.008 . 2 . . 1257 . . 28 LEU HD22 . 51688 1 227 . 1 . 1 28 28 LEU HD23 H 1 0.903 0.008 . 2 . . 1257 . . 28 LEU HD23 . 51688 1 228 . 1 . 1 28 28 LEU C C 13 177.909 0.007 . 1 . . 458 . . 28 LEU C . 51688 1 229 . 1 . 1 28 28 LEU CA C 13 57.249 0.036 . 1 . . 459 . . 28 LEU CA . 51688 1 230 . 1 . 1 28 28 LEU CB C 13 42.322 0.048 . 1 . . 460 . . 28 LEU CB . 51688 1 231 . 1 . 1 28 28 LEU CG C 13 27.006 0.01 . 1 . . 1258 . . 28 LEU CG . 51688 1 232 . 1 . 1 28 28 LEU CD1 C 13 27.320 0.037 . 2 . . 1009 . . 28 LEU CD1 . 51688 1 233 . 1 . 1 28 28 LEU CD2 C 13 23.884 0.015 . 2 . . 1260 . . 28 LEU CD2 . 51688 1 234 . 1 . 1 28 28 LEU N N 15 122.818 0.018 . 1 . . 457 . . 28 LEU N . 51688 1 235 . 1 . 1 29 29 GLN H H 1 7.377 0.006 . 1 . . 461 . . 29 GLN H . 51688 1 236 . 1 . 1 29 29 GLN HA H 1 3.897 0.016 . 1 . . 562 . . 29 GLN HA . 51688 1 237 . 1 . 1 29 29 GLN HB2 H 1 2.156 0.016 . 2 . . 603 . . 29 GLN HB2 . 51688 1 238 . 1 . 1 29 29 GLN HB3 H 1 2.133 0.008 . 2 . . 1035 . . 29 GLN HB3 . 51688 1 239 . 1 . 1 29 29 GLN HG2 H 1 2.403 0.013 . 2 . . 751 . . 29 GLN HG2 . 51688 1 240 . 1 . 1 29 29 GLN HG3 H 1 2.534 0.009 . 2 . . 753 . . 29 GLN HG3 . 51688 1 241 . 1 . 1 29 29 GLN HE21 H 1 6.731 0.006 . 1 . . 1246 . . 29 GLN HE21 . 51688 1 242 . 1 . 1 29 29 GLN HE22 H 1 7.271 0.006 . 1 . . 1247 . . 29 GLN HE22 . 51688 1 243 . 1 . 1 29 29 GLN C C 13 176.801 0.016 . 1 . . 465 . . 29 GLN C . 51688 1 244 . 1 . 1 29 29 GLN CA C 13 58.720 0.042 . 1 . . 464 . . 29 GLN CA . 51688 1 245 . 1 . 1 29 29 GLN CB C 13 28.504 0.062 . 1 . . 463 . . 29 GLN CB . 51688 1 246 . 1 . 1 29 29 GLN CG C 13 33.925 0.007 . 1 . . 752 . . 29 GLN CG . 51688 1 247 . 1 . 1 29 29 GLN CD C 13 180.082 . . 1 . . 1249 . . 29 GLN CD . 51688 1 248 . 1 . 1 29 29 GLN N N 15 115.187 0.033 . 1 . . 462 . . 29 GLN N . 51688 1 249 . 1 . 1 29 29 GLN NE2 N 15 110.572 0.075 . 1 . . 1248 . . 29 GLN NE2 . 51688 1 250 . 1 . 1 30 30 SER H H 1 7.352 0.01 . 1 . . 378 . . 30 SER H . 51688 1 251 . 1 . 1 30 30 SER HA H 1 4.473 0.002 . 1 . . 1003 . . 30 SER HA . 51688 1 252 . 1 . 1 30 30 SER HB2 H 1 4.000 0.01 . 2 . . 1004 . . 30 SER HB2 . 51688 1 253 . 1 . 1 30 30 SER HB3 H 1 4.025 0.013 . 2 . . 1140 . . 30 SER HB3 . 51688 1 254 . 1 . 1 30 30 SER C C 13 174.219 0.013 . 1 . . 380 . . 30 SER C . 51688 1 255 . 1 . 1 30 30 SER CA C 13 58.407 0.029 . 1 . . 382 . . 30 SER CA . 51688 1 256 . 1 . 1 30 30 SER CB C 13 63.885 0.014 . 1 . . 381 . . 30 SER CB . 51688 1 257 . 1 . 1 30 30 SER N N 15 111.371 0.071 . 1 . . 379 . . 30 SER N . 51688 1 258 . 1 . 1 31 31 LEU H H 1 7.710 0.004 . 1 . . 502 . . 31 LEU H . 51688 1 259 . 1 . 1 31 31 LEU HA H 1 4.373 0.008 . 1 . . 754 . . 31 LEU HA . 51688 1 260 . 1 . 1 31 31 LEU HB2 H 1 1.870 0.011 . 2 . . 755 . . 31 LEU HB2 . 51688 1 261 . 1 . 1 31 31 LEU HB3 H 1 1.750 0.007 . 2 . . 756 . . 31 LEU HB3 . 51688 1 262 . 1 . 1 31 31 LEU HG H 1 1.574 0.006 . 1 . . 758 . . 31 LEU HG . 51688 1 263 . 1 . 1 31 31 LEU HD11 H 1 1.000 0.007 . 2 . . 1010 . . 31 LEU HD11 . 51688 1 264 . 1 . 1 31 31 LEU HD12 H 1 1.000 0.007 . 2 . . 1010 . . 31 LEU HD12 . 51688 1 265 . 1 . 1 31 31 LEU HD13 H 1 1.000 0.007 . 2 . . 1010 . . 31 LEU HD13 . 51688 1 266 . 1 . 1 31 31 LEU HD21 H 1 0.740 0.005 . 2 . . 1011 . . 31 LEU HD21 . 51688 1 267 . 1 . 1 31 31 LEU HD22 H 1 0.740 0.005 . 2 . . 1011 . . 31 LEU HD22 . 51688 1 268 . 1 . 1 31 31 LEU HD23 H 1 0.740 0.005 . 2 . . 1011 . . 31 LEU HD23 . 51688 1 269 . 1 . 1 31 31 LEU C C 13 177.834 0.009 . 1 . . 506 . . 31 LEU C . 51688 1 270 . 1 . 1 31 31 LEU CA C 13 55.103 0.041 . 1 . . 504 . . 31 LEU CA . 51688 1 271 . 1 . 1 31 31 LEU CB C 13 41.405 0.056 . 1 . . 505 . . 31 LEU CB . 51688 1 272 . 1 . 1 31 31 LEU CG C 13 27.277 0.012 . 1 . . 757 . . 31 LEU CG . 51688 1 273 . 1 . 1 31 31 LEU CD1 C 13 24.817 0.039 . 2 . . 1013 . . 31 LEU CD1 . 51688 1 274 . 1 . 1 31 31 LEU CD2 C 13 24.848 0.015 . 2 . . 1012 . . 31 LEU CD2 . 51688 1 275 . 1 . 1 31 31 LEU N N 15 123.616 0.039 . 1 . . 503 . . 31 LEU N . 51688 1 276 . 1 . 1 32 32 ASN HA H 1 4.613 0.003 . 1 . . 1318 . . 32 ASN HA . 51688 1 277 . 1 . 1 32 32 ASN HB2 H 1 2.791 0.002 . 2 . . 1314 . . 32 ASN HB2 . 51688 1 278 . 1 . 1 32 32 ASN HB3 H 1 2.791 0.002 . 2 . . 1315 . . 32 ASN HB3 . 51688 1 279 . 1 . 1 32 32 ASN HD21 H 1 7.639 0.008 . 1 . . 1205 . . 32 ASN HD21 . 51688 1 280 . 1 . 1 32 32 ASN HD22 H 1 6.958 0.003 . 1 . . 1206 . . 32 ASN HD22 . 51688 1 281 . 1 . 1 32 32 ASN C C 13 177.524 . . 1 . . 631 . . 32 ASN C . 51688 1 282 . 1 . 1 32 32 ASN CA C 13 56.241 0.003 . 1 . . 630 . . 32 ASN CA . 51688 1 283 . 1 . 1 32 32 ASN CB C 13 38.136 0.0 . 1 . . 629 . . 32 ASN CB . 51688 1 284 . 1 . 1 32 32 ASN CG C 13 176.013 . . 1 . . 1204 . . 32 ASN CG . 51688 1 285 . 1 . 1 32 32 ASN ND2 N 15 112.512 0.021 . 1 . . 1207 . . 32 ASN ND2 . 51688 1 286 . 1 . 1 33 33 ALA H H 1 8.099 0.008 . 1 . . 627 . . 33 ALA H . 51688 1 287 . 1 . 1 33 33 ALA HA H 1 3.954 0.004 . 1 . . 639 . . 33 ALA HA . 51688 1 288 . 1 . 1 33 33 ALA HB1 H 1 1.022 0.008 . 1 . . 1136 . . 33 ALA HB1 . 51688 1 289 . 1 . 1 33 33 ALA HB2 H 1 1.022 0.008 . 1 . . 1136 . . 33 ALA HB2 . 51688 1 290 . 1 . 1 33 33 ALA HB3 H 1 1.022 0.008 . 1 . . 1136 . . 33 ALA HB3 . 51688 1 291 . 1 . 1 33 33 ALA C C 13 178.662 . . 1 . . 547 . . 33 ALA C . 51688 1 292 . 1 . 1 33 33 ALA CA C 13 54.399 0.069 . 1 . . 548 . . 33 ALA CA . 51688 1 293 . 1 . 1 33 33 ALA CB C 13 19.124 0.044 . 1 . . 628 . . 33 ALA CB . 51688 1 294 . 1 . 1 33 33 ALA N N 15 118.862 0.039 . 1 . . 626 . . 33 ALA N . 51688 1 295 . 1 . 1 34 34 LEU H H 1 7.349 0.007 . 1 . . 34 . . 34 LEU H . 51688 1 296 . 1 . 1 34 34 LEU HA H 1 3.809 0.009 . 1 . . 759 . . 34 LEU HA . 51688 1 297 . 1 . 1 34 34 LEU HB2 H 1 1.863 0.007 . 2 . . 760 . . 34 LEU HB2 . 51688 1 298 . 1 . 1 34 34 LEU HB3 H 1 1.408 0.006 . 2 . . 761 . . 34 LEU HB3 . 51688 1 299 . 1 . 1 34 34 LEU HG H 1 1.616 0.008 . 1 . . 767 . . 34 LEU HG . 51688 1 300 . 1 . 1 34 34 LEU HD11 H 1 0.499 0.004 . 2 . . 763 . . 34 LEU HD11 . 51688 1 301 . 1 . 1 34 34 LEU HD12 H 1 0.499 0.004 . 2 . . 763 . . 34 LEU HD12 . 51688 1 302 . 1 . 1 34 34 LEU HD13 H 1 0.499 0.004 . 2 . . 763 . . 34 LEU HD13 . 51688 1 303 . 1 . 1 34 34 LEU HD21 H 1 0.867 0.007 . 2 . . 765 . . 34 LEU HD21 . 51688 1 304 . 1 . 1 34 34 LEU HD22 H 1 0.867 0.007 . 2 . . 765 . . 34 LEU HD22 . 51688 1 305 . 1 . 1 34 34 LEU HD23 H 1 0.867 0.007 . 2 . . 765 . . 34 LEU HD23 . 51688 1 306 . 1 . 1 34 34 LEU C C 13 179.074 0.003 . 1 . . 471 . . 34 LEU C . 51688 1 307 . 1 . 1 34 34 LEU CA C 13 57.518 0.045 . 1 . . 37 . . 34 LEU CA . 51688 1 308 . 1 . 1 34 34 LEU CB C 13 40.527 0.031 . 1 . . 36 . . 34 LEU CB . 51688 1 309 . 1 . 1 34 34 LEU CG C 13 27.361 0.045 . 1 . . 766 . . 34 LEU CG . 51688 1 310 . 1 . 1 34 34 LEU CD1 C 13 22.259 0.031 . 2 . . 762 . . 34 LEU CD1 . 51688 1 311 . 1 . 1 34 34 LEU CD2 C 13 26.012 0.045 . 2 . . 764 . . 34 LEU CD2 . 51688 1 312 . 1 . 1 34 34 LEU N N 15 112.962 0.068 . 1 . . 35 . . 34 LEU N . 51688 1 313 . 1 . 1 35 35 ASN H H 1 7.930 0.007 . 1 . . 30 . . 35 ASN H . 51688 1 314 . 1 . 1 35 35 ASN HA H 1 4.331 0.007 . 1 . . 640 . . 35 ASN HA . 51688 1 315 . 1 . 1 35 35 ASN HB2 H 1 2.599 0.012 . 2 . . 607 . . 35 ASN HB2 . 51688 1 316 . 1 . 1 35 35 ASN HB3 H 1 2.639 0.005 . 2 . . 1127 . . 35 ASN HB3 . 51688 1 317 . 1 . 1 35 35 ASN HD21 H 1 6.999 0.003 . 1 . . 1197 . . 35 ASN HD21 . 51688 1 318 . 1 . 1 35 35 ASN HD22 H 1 7.401 0.016 . 1 . . 1198 . . 35 ASN HD22 . 51688 1 319 . 1 . 1 35 35 ASN C C 13 176.776 0.01 . 1 . . 470 . . 35 ASN C . 51688 1 320 . 1 . 1 35 35 ASN CA C 13 56.275 0.018 . 1 . . 32 . . 35 ASN CA . 51688 1 321 . 1 . 1 35 35 ASN CB C 13 38.427 0.053 . 1 . . 33 . . 35 ASN CB . 51688 1 322 . 1 . 1 35 35 ASN CG C 13 175.804 . . 1 . . 1199 . . 35 ASN CG . 51688 1 323 . 1 . 1 35 35 ASN N N 15 117.711 0.044 . 1 . . 31 . . 35 ASN N . 51688 1 324 . 1 . 1 35 35 ASN ND2 N 15 113.559 0.03 . 1 . . 1196 . . 35 ASN ND2 . 51688 1 325 . 1 . 1 36 36 TYR H H 1 7.464 0.008 . 1 . . 26 . . 36 TYR H . 51688 1 326 . 1 . 1 36 36 TYR HA H 1 4.540 0.007 . 1 . . 970 . . 36 TYR HA . 51688 1 327 . 1 . 1 36 36 TYR HB2 H 1 2.972 0.009 . 2 . . 968 . . 36 TYR HB2 . 51688 1 328 . 1 . 1 36 36 TYR HB3 H 1 3.114 0.009 . 2 . . 969 . . 36 TYR HB3 . 51688 1 329 . 1 . 1 36 36 TYR HD1 H 1 7.107 0.008 . 1 . . 1172 . . 36 TYR HD1 . 51688 1 330 . 1 . 1 36 36 TYR HD2 H 1 7.107 0.008 . 1 . . 1172 . . 36 TYR HD2 . 51688 1 331 . 1 . 1 36 36 TYR HE1 H 1 6.801 0.009 . 1 . . 1174 . . 36 TYR HE1 . 51688 1 332 . 1 . 1 36 36 TYR HE2 H 1 6.801 0.009 . 1 . . 1174 . . 36 TYR HE2 . 51688 1 333 . 1 . 1 36 36 TYR C C 13 176.888 0.026 . 1 . . 469 . . 36 TYR C . 51688 1 334 . 1 . 1 36 36 TYR CA C 13 59.456 0.033 . 1 . . 28 . . 36 TYR CA . 51688 1 335 . 1 . 1 36 36 TYR CB C 13 37.740 0.048 . 1 . . 29 . . 36 TYR CB . 51688 1 336 . 1 . 1 36 36 TYR CD1 C 13 132.660 . . 1 . . 1173 . . 36 TYR CD1 . 51688 1 337 . 1 . 1 36 36 TYR CD2 C 13 132.660 . . 1 . . 1173 . . 36 TYR CD2 . 51688 1 338 . 1 . 1 36 36 TYR CE1 C 13 118.045 . . 1 . . 1176 . . 36 TYR CE1 . 51688 1 339 . 1 . 1 36 36 TYR CE2 C 13 118.045 . . 1 . . 1176 . . 36 TYR CE2 . 51688 1 340 . 1 . 1 36 36 TYR N N 15 117.060 0.042 . 1 . . 27 . . 36 TYR N . 51688 1 341 . 1 . 1 37 37 VAL H H 1 7.401 0.008 . 1 . . 22 . . 37 VAL H . 51688 1 342 . 1 . 1 37 37 VAL HA H 1 4.180 0.009 . 1 . . 684 . . 37 VAL HA . 51688 1 343 . 1 . 1 37 37 VAL HB H 1 2.228 0.007 . 1 . . 563 . . 37 VAL HB . 51688 1 344 . 1 . 1 37 37 VAL HG11 H 1 0.897 0.009 . 2 . . 564 . . 37 VAL HG11 . 51688 1 345 . 1 . 1 37 37 VAL HG12 H 1 0.897 0.009 . 2 . . 564 . . 37 VAL HG12 . 51688 1 346 . 1 . 1 37 37 VAL HG13 H 1 0.897 0.009 . 2 . . 564 . . 37 VAL HG13 . 51688 1 347 . 1 . 1 37 37 VAL HG21 H 1 0.924 0.001 . 2 . . 769 . . 37 VAL HG21 . 51688 1 348 . 1 . 1 37 37 VAL HG22 H 1 0.924 0.001 . 2 . . 769 . . 37 VAL HG22 . 51688 1 349 . 1 . 1 37 37 VAL HG23 H 1 0.924 0.001 . 2 . . 769 . . 37 VAL HG23 . 51688 1 350 . 1 . 1 37 37 VAL C C 13 179.315 0.014 . 1 . . 468 . . 37 VAL C . 51688 1 351 . 1 . 1 37 37 VAL CA C 13 64.442 0.059 . 1 . . 24 . . 37 VAL CA . 51688 1 352 . 1 . 1 37 37 VAL CB C 13 31.476 0.055 . 1 . . 25 . . 37 VAL CB . 51688 1 353 . 1 . 1 37 37 VAL CG1 C 13 22.822 0.013 . 2 . . 1269 . . 37 VAL CG1 . 51688 1 354 . 1 . 1 37 37 VAL CG2 C 13 22.107 0.009 . 2 . . 768 . . 37 VAL CG2 . 51688 1 355 . 1 . 1 37 37 VAL N N 15 118.720 0.04 . 1 . . 23 . . 37 VAL N . 51688 1 356 . 1 . 1 38 38 SER H H 1 7.851 0.011 . 1 . . 19 . . 38 SER H . 51688 1 357 . 1 . 1 38 38 SER HA H 1 4.242 0.001 . 1 . . 958 . . 38 SER HA . 51688 1 358 . 1 . 1 38 38 SER HB2 H 1 3.913 0.007 . 2 . . 959 . . 38 SER HB2 . 51688 1 359 . 1 . 1 38 38 SER HB3 H 1 3.912 0.007 . 2 . . 960 . . 38 SER HB3 . 51688 1 360 . 1 . 1 38 38 SER C C 13 175.742 0.006 . 1 . . 467 . . 38 SER C . 51688 1 361 . 1 . 1 38 38 SER CA C 13 61.405 0.021 . 1 . . 961 . . 38 SER CA . 51688 1 362 . 1 . 1 38 38 SER CB C 13 63.262 0.052 . 1 . . 21 . . 38 SER CB . 51688 1 363 . 1 . 1 38 38 SER N N 15 115.617 0.029 . 1 . . 20 . . 38 SER N . 51688 1 364 . 1 . 1 39 39 ASN H H 1 7.780 0.006 . 1 . . 15 . . 39 ASN H . 51688 1 365 . 1 . 1 39 39 ASN HA H 1 4.750 0.008 . 1 . . 695 . . 39 ASN HA . 51688 1 366 . 1 . 1 39 39 ASN HB2 H 1 3.039 0.005 . 2 . . 1027 . . 39 ASN HB2 . 51688 1 367 . 1 . 1 39 39 ASN HB3 H 1 2.838 0.005 . 2 . . 1028 . . 39 ASN HB3 . 51688 1 368 . 1 . 1 39 39 ASN C C 13 176.574 0.004 . 1 . . 466 . . 39 ASN C . 51688 1 369 . 1 . 1 39 39 ASN CA C 13 52.972 0.029 . 1 . . 18 . . 39 ASN CA . 51688 1 370 . 1 . 1 39 39 ASN CB C 13 38.390 0.052 . 1 . . 17 . . 39 ASN CB . 51688 1 371 . 1 . 1 39 39 ASN N N 15 114.873 0.024 . 1 . . 16 . . 39 ASN N . 51688 1 372 . 1 . 1 40 40 GLY H H 1 7.726 0.007 . 1 . . 5 . . 40 GLY H . 51688 1 373 . 1 . 1 40 40 GLY HA2 H 1 4.147 0.005 . 2 . . 559 . . 40 GLY HA2 . 51688 1 374 . 1 . 1 40 40 GLY HA3 H 1 3.935 0.004 . 2 . . 560 . . 40 GLY HA3 . 51688 1 375 . 1 . 1 40 40 GLY C C 13 174.790 0.025 . 1 . . 7 . . 40 GLY C . 51688 1 376 . 1 . 1 40 40 GLY CA C 13 45.965 0.017 . 1 . . 946 . . 40 GLY CA . 51688 1 377 . 1 . 1 40 40 GLY N N 15 106.583 0.03 . 1 . . 6 . . 40 GLY N . 51688 1 378 . 1 . 1 41 41 GLN H H 1 8.274 0.007 . 1 . . 38 . . 41 GLN H . 51688 1 379 . 1 . 1 41 41 GLN HA H 1 4.182 0.006 . 1 . . 565 . . 41 GLN HA . 51688 1 380 . 1 . 1 41 41 GLN HB2 H 1 2.227 0.009 . 2 . . 701 . . 41 GLN HB2 . 51688 1 381 . 1 . 1 41 41 GLN HB3 H 1 2.209 0.012 . 2 . . 704 . . 41 GLN HB3 . 51688 1 382 . 1 . 1 41 41 GLN HG2 H 1 2.322 0.004 . 2 . . 700 . . 41 GLN HG2 . 51688 1 383 . 1 . 1 41 41 GLN HG3 H 1 2.322 0.005 . 2 . . 702 . . 41 GLN HG3 . 51688 1 384 . 1 . 1 41 41 GLN HE21 H 1 7.350 0.01 . 1 . . 1217 . . 41 GLN HE21 . 51688 1 385 . 1 . 1 41 41 GLN HE22 H 1 6.611 0.008 . 1 . . 1219 . . 41 GLN HE22 . 51688 1 386 . 1 . 1 41 41 GLN C C 13 176.043 0.029 . 1 . . 500 . . 41 GLN C . 51688 1 387 . 1 . 1 41 41 GLN CA C 13 58.425 0.032 . 1 . . 499 . . 41 GLN CA . 51688 1 388 . 1 . 1 41 41 GLN CB C 13 29.697 0.057 . 1 . . 40 . . 41 GLN CB . 51688 1 389 . 1 . 1 41 41 GLN CG C 13 35.245 0.096 . 1 . . 703 . . 41 GLN CG . 51688 1 390 . 1 . 1 41 41 GLN N N 15 119.863 0.027 . 1 . . 39 . . 41 GLN N . 51688 1 391 . 1 . 1 41 41 GLN NE2 N 15 110.929 0.032 . 1 . . 1218 . . 41 GLN NE2 . 51688 1 392 . 1 . 1 42 42 LEU H H 1 7.633 0.009 . 1 . . 365 . . 42 LEU H . 51688 1 393 . 1 . 1 42 42 LEU HA H 1 4.767 0.009 . 1 . . 705 . . 42 LEU HA . 51688 1 394 . 1 . 1 42 42 LEU HB2 H 1 1.439 0.009 . 2 . . 774 . . 42 LEU HB2 . 51688 1 395 . 1 . 1 42 42 LEU HB3 H 1 1.377 0.011 . 2 . . 775 . . 42 LEU HB3 . 51688 1 396 . 1 . 1 42 42 LEU HG H 1 1.572 0.007 . 1 . . 706 . . 42 LEU HG . 51688 1 397 . 1 . 1 42 42 LEU HD11 H 1 0.869 0.004 . 2 . . 771 . . 42 LEU HD11 . 51688 1 398 . 1 . 1 42 42 LEU HD12 H 1 0.869 0.004 . 2 . . 771 . . 42 LEU HD12 . 51688 1 399 . 1 . 1 42 42 LEU HD13 H 1 0.869 0.004 . 2 . . 771 . . 42 LEU HD13 . 51688 1 400 . 1 . 1 42 42 LEU HD21 H 1 0.866 0.006 . 2 . . 773 . . 42 LEU HD21 . 51688 1 401 . 1 . 1 42 42 LEU HD22 H 1 0.866 0.006 . 2 . . 773 . . 42 LEU HD22 . 51688 1 402 . 1 . 1 42 42 LEU HD23 H 1 0.866 0.006 . 2 . . 773 . . 42 LEU HD23 . 51688 1 403 . 1 . 1 42 42 LEU C C 13 175.585 0.013 . 1 . . 367 . . 42 LEU C . 51688 1 404 . 1 . 1 42 42 LEU CA C 13 53.226 0.041 . 1 . . 368 . . 42 LEU CA . 51688 1 405 . 1 . 1 42 42 LEU CB C 13 45.186 0.038 . 1 . . 369 . . 42 LEU CB . 51688 1 406 . 1 . 1 42 42 LEU CG C 13 27.281 0.027 . 1 . . 707 . . 42 LEU CG . 51688 1 407 . 1 . 1 42 42 LEU CD1 C 13 25.842 0.019 . 2 . . 770 . . 42 LEU CD1 . 51688 1 408 . 1 . 1 42 42 LEU CD2 C 13 23.869 0.023 . 2 . . 772 . . 42 LEU CD2 . 51688 1 409 . 1 . 1 42 42 LEU N N 15 117.864 0.044 . 1 . . 366 . . 42 LEU N . 51688 1 410 . 1 . 1 43 43 SER H H 1 9.204 0.007 . 1 . . 370 . . 43 SER H . 51688 1 411 . 1 . 1 43 43 SER HA H 1 4.614 0.005 . 1 . . 1000 . . 43 SER HA . 51688 1 412 . 1 . 1 43 43 SER HB2 H 1 4.323 0.003 . 2 . . 1001 . . 43 SER HB2 . 51688 1 413 . 1 . 1 43 43 SER HB3 H 1 4.006 0.003 . 2 . . 1002 . . 43 SER HB3 . 51688 1 414 . 1 . 1 43 43 SER C C 13 175.711 0.019 . 1 . . 372 . . 43 SER C . 51688 1 415 . 1 . 1 43 43 SER CA C 13 57.166 0.041 . 1 . . 373 . . 43 SER CA . 51688 1 416 . 1 . 1 43 43 SER CB C 13 65.867 0.04 . 1 . . 374 . . 43 SER CB . 51688 1 417 . 1 . 1 43 43 SER N N 15 118.882 0.03 . 1 . . 371 . . 43 SER N . 51688 1 418 . 1 . 1 44 44 SER H H 1 9.111 0.005 . 1 . . 414 . . 44 SER H . 51688 1 419 . 1 . 1 44 44 SER HA H 1 4.320 0.005 . 1 . . 996 . . 44 SER HA . 51688 1 420 . 1 . 1 44 44 SER HB2 H 1 4.002 0.004 . 2 . . 997 . . 44 SER HB2 . 51688 1 421 . 1 . 1 44 44 SER HB3 H 1 4.003 0.004 . 2 . . 998 . . 44 SER HB3 . 51688 1 422 . 1 . 1 44 44 SER C C 13 176.844 0.015 . 1 . . 600 . . 44 SER C . 51688 1 423 . 1 . 1 44 44 SER CA C 13 62.404 0.001 . 1 . . 416 . . 44 SER CA . 51688 1 424 . 1 . 1 44 44 SER CB C 13 65.796 0.05 . 1 . . 618 . . 44 SER CB . 51688 1 425 . 1 . 1 44 44 SER N N 15 118.001 0.03 . 1 . . 415 . . 44 SER N . 51688 1 426 . 1 . 1 45 45 SER H H 1 8.159 0.002 . 1 . . 596 . . 45 SER H . 51688 1 427 . 1 . 1 45 45 SER HA H 1 4.236 0.004 . 1 . . 641 . . 45 SER HA . 51688 1 428 . 1 . 1 45 45 SER HB2 H 1 3.867 0.0 . 2 . . 642 . . 45 SER HB2 . 51688 1 429 . 1 . 1 45 45 SER HB3 H 1 3.866 0.0 . 2 . . 999 . . 45 SER HB3 . 51688 1 430 . 1 . 1 45 45 SER C C 13 177.126 0.025 . 1 . . 546 . . 45 SER C . 51688 1 431 . 1 . 1 45 45 SER CA C 13 61.426 0.049 . 1 . . 598 . . 45 SER CA . 51688 1 432 . 1 . 1 45 45 SER CB C 13 62.447 0.0 . 1 . . 599 . . 45 SER CB . 51688 1 433 . 1 . 1 45 45 SER N N 15 116.744 0.035 . 1 . . 597 . . 45 SER N . 51688 1 434 . 1 . 1 46 46 ASP H H 1 7.804 0.006 . 1 . . 482 . . 46 ASP H . 51688 1 435 . 1 . 1 46 46 ASP HA H 1 4.459 0.006 . 1 . . 608 . . 46 ASP HA . 51688 1 436 . 1 . 1 46 46 ASP HB2 H 1 3.067 0.002 . 2 . . 609 . . 46 ASP HB2 . 51688 1 437 . 1 . 1 46 46 ASP HB3 H 1 2.470 0.005 . 2 . . 1120 . . 46 ASP HB3 . 51688 1 438 . 1 . 1 46 46 ASP C C 13 179.436 0.002 . 1 . . 485 . . 46 ASP C . 51688 1 439 . 1 . 1 46 46 ASP CA C 13 57.452 0.024 . 1 . . 483 . . 46 ASP CA . 51688 1 440 . 1 . 1 46 46 ASP CB C 13 40.911 0.064 . 1 . . 486 . . 46 ASP CB . 51688 1 441 . 1 . 1 46 46 ASP N N 15 123.377 0.036 . 1 . . 484 . . 46 ASP N . 51688 1 442 . 1 . 1 47 47 VAL H H 1 8.137 0.007 . 1 . . 477 . . 47 VAL H . 51688 1 443 . 1 . 1 47 47 VAL HA H 1 3.455 0.006 . 1 . . 683 . . 47 VAL HA . 51688 1 444 . 1 . 1 47 47 VAL HB H 1 2.277 0.005 . 1 . . 611 . . 47 VAL HB . 51688 1 445 . 1 . 1 47 47 VAL HG11 H 1 1.049 0.004 . 2 . . 610 . . 47 VAL HG11 . 51688 1 446 . 1 . 1 47 47 VAL HG12 H 1 1.049 0.004 . 2 . . 610 . . 47 VAL HG12 . 51688 1 447 . 1 . 1 47 47 VAL HG13 H 1 1.049 0.004 . 2 . . 610 . . 47 VAL HG13 . 51688 1 448 . 1 . 1 47 47 VAL HG21 H 1 0.914 0.007 . 2 . . 696 . . 47 VAL HG21 . 51688 1 449 . 1 . 1 47 47 VAL HG22 H 1 0.914 0.007 . 2 . . 696 . . 47 VAL HG22 . 51688 1 450 . 1 . 1 47 47 VAL HG23 H 1 0.914 0.007 . 2 . . 696 . . 47 VAL HG23 . 51688 1 451 . 1 . 1 47 47 VAL C C 13 176.823 0.007 . 1 . . 479 . . 47 VAL C . 51688 1 452 . 1 . 1 47 47 VAL CA C 13 67.288 0.047 . 1 . . 480 . . 47 VAL CA . 51688 1 453 . 1 . 1 47 47 VAL CB C 13 31.522 0.089 . 1 . . 481 . . 47 VAL CB . 51688 1 454 . 1 . 1 47 47 VAL CG1 C 13 24.374 0.034 . 2 . . 697 . . 47 VAL CG1 . 51688 1 455 . 1 . 1 47 47 VAL CG2 C 13 21.851 0.049 . 2 . . 1270 . . 47 VAL CG2 . 51688 1 456 . 1 . 1 47 47 VAL N N 15 121.484 0.034 . 1 . . 478 . . 47 VAL N . 51688 1 457 . 1 . 1 48 48 ALA H H 1 8.502 0.009 . 1 . . 472 . . 48 ALA H . 51688 1 458 . 1 . 1 48 48 ALA HA H 1 3.751 0.012 . 1 . . 566 . . 48 ALA HA . 51688 1 459 . 1 . 1 48 48 ALA HB1 H 1 1.401 0.006 . 1 . . 612 . . 48 ALA HB1 . 51688 1 460 . 1 . 1 48 48 ALA HB2 H 1 1.401 0.006 . 1 . . 612 . . 48 ALA HB2 . 51688 1 461 . 1 . 1 48 48 ALA HB3 H 1 1.401 0.006 . 1 . . 612 . . 48 ALA HB3 . 51688 1 462 . 1 . 1 48 48 ALA C C 13 179.060 0.003 . 1 . . 474 . . 48 ALA C . 51688 1 463 . 1 . 1 48 48 ALA CA C 13 56.187 0.027 . 1 . . 475 . . 48 ALA CA . 51688 1 464 . 1 . 1 48 48 ALA CB C 13 18.188 0.033 . 1 . . 476 . . 48 ALA CB . 51688 1 465 . 1 . 1 48 48 ALA N N 15 120.909 0.048 . 1 . . 473 . . 48 ALA N . 51688 1 466 . 1 . 1 49 49 SER H H 1 8.084 0.011 . 1 . . 171 . . 49 SER H . 51688 1 467 . 1 . 1 49 49 SER HA H 1 4.235 0.003 . 1 . . 993 . . 49 SER HA . 51688 1 468 . 1 . 1 49 49 SER HB2 H 1 3.907 0.012 . 2 . . 994 . . 49 SER HB2 . 51688 1 469 . 1 . 1 49 49 SER HB3 H 1 3.917 0.002 . 2 . . 995 . . 49 SER HB3 . 51688 1 470 . 1 . 1 49 49 SER C C 13 176.914 0.012 . 1 . . 543 . . 49 SER C . 51688 1 471 . 1 . 1 49 49 SER CA C 13 61.376 0.043 . 1 . . 173 . . 49 SER CA . 51688 1 472 . 1 . 1 49 49 SER CB C 13 63.055 0.087 . 1 . . 84 . . 49 SER CB . 51688 1 473 . 1 . 1 49 49 SER N N 15 110.878 0.027 . 1 . . 172 . . 49 SER N . 51688 1 474 . 1 . 1 50 50 THR H H 1 7.734 0.009 . 1 . . 166 . . 50 THR H . 51688 1 475 . 1 . 1 50 50 THR HA H 1 3.774 0.009 . 1 . . 698 . . 50 THR HA . 51688 1 476 . 1 . 1 50 50 THR HB H 1 3.854 0.007 . 1 . . 699 . . 50 THR HB . 51688 1 477 . 1 . 1 50 50 THR HG21 H 1 0.510 0.008 . 1 . . 1055 . . 50 THR HG21 . 51688 1 478 . 1 . 1 50 50 THR HG22 H 1 0.510 0.008 . 1 . . 1055 . . 50 THR HG22 . 51688 1 479 . 1 . 1 50 50 THR HG23 H 1 0.510 0.008 . 1 . . 1055 . . 50 THR HG23 . 51688 1 480 . 1 . 1 50 50 THR C C 13 176.304 0.011 . 1 . . 170 . . 50 THR C . 51688 1 481 . 1 . 1 50 50 THR CA C 13 67.470 0.071 . 1 . . 168 . . 50 THR CA . 51688 1 482 . 1 . 1 50 50 THR CB C 13 68.497 0.028 . 1 . . 169 . . 50 THR CB . 51688 1 483 . 1 . 1 50 50 THR CG2 C 13 20.979 0.064 . 1 . . 1137 . . 50 THR CG2 . 51688 1 484 . 1 . 1 50 50 THR N N 15 119.743 0.041 . 1 . . 167 . . 50 THR N . 51688 1 485 . 1 . 1 51 51 VAL H H 1 8.437 0.011 . 1 . . 144 . . 51 VAL H . 51688 1 486 . 1 . 1 51 51 VAL HA H 1 3.356 0.007 . 1 . . 685 . . 51 VAL HA . 51688 1 487 . 1 . 1 51 51 VAL HB H 1 2.041 0.005 . 1 . . 643 . . 51 VAL HB . 51688 1 488 . 1 . 1 51 51 VAL HG11 H 1 1.021 0.005 . 2 . . 644 . . 51 VAL HG11 . 51688 1 489 . 1 . 1 51 51 VAL HG12 H 1 1.021 0.005 . 2 . . 644 . . 51 VAL HG12 . 51688 1 490 . 1 . 1 51 51 VAL HG13 H 1 1.021 0.005 . 2 . . 644 . . 51 VAL HG13 . 51688 1 491 . 1 . 1 51 51 VAL HG21 H 1 0.823 0.01 . 2 . . 1285 . . 51 VAL HG21 . 51688 1 492 . 1 . 1 51 51 VAL HG22 H 1 0.823 0.01 . 2 . . 1285 . . 51 VAL HG22 . 51688 1 493 . 1 . 1 51 51 VAL HG23 H 1 0.823 0.01 . 2 . . 1285 . . 51 VAL HG23 . 51688 1 494 . 1 . 1 51 51 VAL C C 13 177.105 0.014 . 1 . . 146 . . 51 VAL C . 51688 1 495 . 1 . 1 51 51 VAL CA C 13 67.261 0.043 . 1 . . 147 . . 51 VAL CA . 51688 1 496 . 1 . 1 51 51 VAL CB C 13 31.661 0.085 . 1 . . 148 . . 51 VAL CB . 51688 1 497 . 1 . 1 51 51 VAL CG1 C 13 23.928 0.057 . 2 . . 708 . . 51 VAL CG1 . 51688 1 498 . 1 . 1 51 51 VAL CG2 C 13 22.364 0.015 . 2 . . 1284 . . 51 VAL CG2 . 51688 1 499 . 1 . 1 51 51 VAL N N 15 119.841 0.032 . 1 . . 145 . . 51 VAL N . 51688 1 500 . 1 . 1 52 52 ALA H H 1 8.155 0.007 . 1 . . 140 . . 52 ALA H . 51688 1 501 . 1 . 1 52 52 ALA HA H 1 3.904 0.011 . 1 . . 926 . . 52 ALA HA . 51688 1 502 . 1 . 1 52 52 ALA HB1 H 1 1.440 0.01 . 1 . . 567 . . 52 ALA HB1 . 51688 1 503 . 1 . 1 52 52 ALA HB2 H 1 1.440 0.01 . 1 . . 567 . . 52 ALA HB2 . 51688 1 504 . 1 . 1 52 52 ALA HB3 H 1 1.440 0.01 . 1 . . 567 . . 52 ALA HB3 . 51688 1 505 . 1 . 1 52 52 ALA C C 13 178.896 0.025 . 1 . . 142 . . 52 ALA C . 51688 1 506 . 1 . 1 52 52 ALA CA C 13 55.869 0.031 . 1 . . 927 . . 52 ALA CA . 51688 1 507 . 1 . 1 52 52 ALA CB C 13 18.444 0.044 . 1 . . 143 . . 52 ALA CB . 51688 1 508 . 1 . 1 52 52 ALA N N 15 119.770 0.038 . 1 . . 141 . . 52 ALA N . 51688 1 509 . 1 . 1 53 53 ARG H H 1 7.824 0.009 . 1 . . 135 . . 53 ARG H . 51688 1 510 . 1 . 1 53 53 ARG HA H 1 3.900 0.006 . 1 . . 776 . . 53 ARG HA . 51688 1 511 . 1 . 1 53 53 ARG HB2 H 1 1.880 0.013 . 2 . . 779 . . 53 ARG HB2 . 51688 1 512 . 1 . 1 53 53 ARG HB3 H 1 1.882 0.012 . 2 . . 783 . . 53 ARG HB3 . 51688 1 513 . 1 . 1 53 53 ARG HG2 H 1 1.696 0.007 . 2 . . 781 . . 53 ARG HG2 . 51688 1 514 . 1 . 1 53 53 ARG HG3 H 1 1.534 0.006 . 2 . . 782 . . 53 ARG HG3 . 51688 1 515 . 1 . 1 53 53 ARG HD2 H 1 3.186 0.01 . 2 . . 778 . . 53 ARG HD2 . 51688 1 516 . 1 . 1 53 53 ARG HD3 H 1 3.180 0.006 . 2 . . 784 . . 53 ARG HD3 . 51688 1 517 . 1 . 1 53 53 ARG C C 13 177.822 0.003 . 1 . . 137 . . 53 ARG C . 51688 1 518 . 1 . 1 53 53 ARG CA C 13 59.889 0.04 . 1 . . 138 . . 53 ARG CA . 51688 1 519 . 1 . 1 53 53 ARG CB C 13 30.088 0.055 . 1 . . 139 . . 53 ARG CB . 51688 1 520 . 1 . 1 53 53 ARG CG C 13 27.618 0.07 . 1 . . 780 . . 53 ARG CG . 51688 1 521 . 1 . 1 53 53 ARG CD C 13 43.638 0.028 . 1 . . 777 . . 53 ARG CD . 51688 1 522 . 1 . 1 53 53 ARG N N 15 117.138 0.049 . 1 . . 136 . . 53 ARG N . 51688 1 523 . 1 . 1 54 54 ALA H H 1 7.642 0.007 . 1 . . 130 . . 54 ALA H . 51688 1 524 . 1 . 1 54 54 ALA HA H 1 4.179 0.005 . 1 . . 614 . . 54 ALA HA . 51688 1 525 . 1 . 1 54 54 ALA HB1 H 1 1.312 0.007 . 1 . . 928 . . 54 ALA HB1 . 51688 1 526 . 1 . 1 54 54 ALA HB2 H 1 1.312 0.007 . 1 . . 928 . . 54 ALA HB2 . 51688 1 527 . 1 . 1 54 54 ALA HB3 H 1 1.312 0.007 . 1 . . 928 . . 54 ALA HB3 . 51688 1 528 . 1 . 1 54 54 ALA C C 13 180.852 0.01 . 1 . . 132 . . 54 ALA C . 51688 1 529 . 1 . 1 54 54 ALA CA C 13 54.772 0.037 . 1 . . 133 . . 54 ALA CA . 51688 1 530 . 1 . 1 54 54 ALA CB C 13 18.853 0.049 . 1 . . 134 . . 54 ALA CB . 51688 1 531 . 1 . 1 54 54 ALA N N 15 120.510 0.06 . 1 . . 131 . . 54 ALA N . 51688 1 532 . 1 . 1 55 55 VAL H H 1 8.539 0.009 . 1 . . 125 . . 55 VAL H . 51688 1 533 . 1 . 1 55 55 VAL HA H 1 3.357 0.01 . 1 . . 645 . . 55 VAL HA . 51688 1 534 . 1 . 1 55 55 VAL HB H 1 2.047 0.004 . 1 . . 646 . . 55 VAL HB . 51688 1 535 . 1 . 1 55 55 VAL HG11 H 1 0.965 0.006 . 1 . . 1311 . . 55 VAL HG11 . 51688 1 536 . 1 . 1 55 55 VAL HG12 H 1 0.965 0.006 . 1 . . 1311 . . 55 VAL HG12 . 51688 1 537 . 1 . 1 55 55 VAL HG13 H 1 0.965 0.006 . 1 . . 1311 . . 55 VAL HG13 . 51688 1 538 . 1 . 1 55 55 VAL C C 13 176.722 0.009 . 1 . . 127 . . 55 VAL C . 51688 1 539 . 1 . 1 55 55 VAL CA C 13 66.780 0.037 . 1 . . 128 . . 55 VAL CA . 51688 1 540 . 1 . 1 55 55 VAL CB C 13 31.945 0.012 . 1 . . 129 . . 55 VAL CB . 51688 1 541 . 1 . 1 55 55 VAL CG1 C 13 24.792 0.021 . 1 . . 1312 . . 55 VAL CG1 . 51688 1 542 . 1 . 1 55 55 VAL N N 15 118.602 0.021 . 1 . . 126 . . 55 VAL N . 51688 1 543 . 1 . 1 56 56 ALA H H 1 8.477 0.008 . 1 . . 120 . . 56 ALA H . 51688 1 544 . 1 . 1 56 56 ALA HA H 1 3.911 0.006 . 1 . . 568 . . 56 ALA HA . 51688 1 545 . 1 . 1 56 56 ALA HB1 H 1 1.427 0.006 . 1 . . 569 . . 56 ALA HB1 . 51688 1 546 . 1 . 1 56 56 ALA HB2 H 1 1.427 0.006 . 1 . . 569 . . 56 ALA HB2 . 51688 1 547 . 1 . 1 56 56 ALA HB3 H 1 1.427 0.006 . 1 . . 569 . . 56 ALA HB3 . 51688 1 548 . 1 . 1 56 56 ALA C C 13 180.283 0.011 . 1 . . 122 . . 56 ALA C . 51688 1 549 . 1 . 1 56 56 ALA CA C 13 56.223 0.025 . 1 . . 123 . . 56 ALA CA . 51688 1 550 . 1 . 1 56 56 ALA CB C 13 18.176 0.046 . 1 . . 124 . . 56 ALA CB . 51688 1 551 . 1 . 1 56 56 ALA N N 15 121.842 0.028 . 1 . . 121 . . 56 ALA N . 51688 1 552 . 1 . 1 57 57 GLN H H 1 8.301 0.011 . 1 . . 115 . . 57 GLN H . 51688 1 553 . 1 . 1 57 57 GLN HA H 1 4.095 0.006 . 1 . . 709 . . 57 GLN HA . 51688 1 554 . 1 . 1 57 57 GLN HB2 H 1 2.084 0.004 . 2 . . 1124 . . 57 GLN HB2 . 51688 1 555 . 1 . 1 57 57 GLN HB3 H 1 2.179 0.008 . 2 . . 1139 . . 57 GLN HB3 . 51688 1 556 . 1 . 1 57 57 GLN HG2 H 1 2.394 0.002 . 2 . . 1286 . . 57 GLN HG2 . 51688 1 557 . 1 . 1 57 57 GLN HG3 H 1 2.557 0.008 . 2 . . 1287 . . 57 GLN HG3 . 51688 1 558 . 1 . 1 57 57 GLN C C 13 178.523 0.033 . 1 . . 116 . . 57 GLN C . 51688 1 559 . 1 . 1 57 57 GLN CA C 13 58.676 0.031 . 1 . . 117 . . 57 GLN CA . 51688 1 560 . 1 . 1 57 57 GLN CB C 13 28.635 0.061 . 1 . . 118 . . 57 GLN CB . 51688 1 561 . 1 . 1 57 57 GLN CG C 13 34.117 0.041 . 1 . . 1227 . . 57 GLN CG . 51688 1 562 . 1 . 1 57 57 GLN CD C 13 180.224 . . 1 . . 1228 . . 57 GLN CD . 51688 1 563 . 1 . 1 57 57 GLN N N 15 114.765 0.039 . 1 . . 119 . . 57 GLN N . 51688 1 564 . 1 . 1 58 58 SER H H 1 7.731 0.008 . 1 . . 110 . . 58 SER H . 51688 1 565 . 1 . 1 58 58 SER HA H 1 4.241 0.003 . 1 . . 991 . . 58 SER HA . 51688 1 566 . 1 . 1 58 58 SER HB2 H 1 3.738 0.004 . 2 . . 992 . . 58 SER HB2 . 51688 1 567 . 1 . 1 58 58 SER HB3 H 1 3.843 0.005 . 2 . . 1288 . . 58 SER HB3 . 51688 1 568 . 1 . 1 58 58 SER C C 13 176.558 0.058 . 1 . . 114 . . 58 SER C . 51688 1 569 . 1 . 1 58 58 SER CA C 13 61.328 0.027 . 1 . . 112 . . 58 SER CA . 51688 1 570 . 1 . 1 58 58 SER CB C 13 64.325 0.028 . 1 . . 113 . . 58 SER CB . 51688 1 571 . 1 . 1 58 58 SER N N 15 112.474 0.035 . 1 . . 111 . . 58 SER N . 51688 1 572 . 1 . 1 59 59 LEU H H 1 7.727 0.01 . 1 . . 41 . . 59 LEU H . 51688 1 573 . 1 . 1 59 59 LEU HA H 1 4.602 0.006 . 1 . . 710 . . 59 LEU HA . 51688 1 574 . 1 . 1 59 59 LEU HB2 H 1 1.438 0.005 . 2 . . 785 . . 59 LEU HB2 . 51688 1 575 . 1 . 1 59 59 LEU HB3 H 1 1.625 0.005 . 2 . . 786 . . 59 LEU HB3 . 51688 1 576 . 1 . 1 59 59 LEU HG H 1 1.793 0.011 . 1 . . 788 . . 59 LEU HG . 51688 1 577 . 1 . 1 59 59 LEU HD11 H 1 0.658 0.007 . 2 . . 789 . . 59 LEU HD11 . 51688 1 578 . 1 . 1 59 59 LEU HD12 H 1 0.658 0.007 . 2 . . 789 . . 59 LEU HD12 . 51688 1 579 . 1 . 1 59 59 LEU HD13 H 1 0.658 0.007 . 2 . . 789 . . 59 LEU HD13 . 51688 1 580 . 1 . 1 59 59 LEU HD21 H 1 0.788 0.014 . 2 . . 790 . . 59 LEU HD21 . 51688 1 581 . 1 . 1 59 59 LEU HD22 H 1 0.788 0.014 . 2 . . 790 . . 59 LEU HD22 . 51688 1 582 . 1 . 1 59 59 LEU HD23 H 1 0.788 0.014 . 2 . . 790 . . 59 LEU HD23 . 51688 1 583 . 1 . 1 59 59 LEU C C 13 176.998 0.001 . 1 . . 59 . . 59 LEU C . 51688 1 584 . 1 . 1 59 59 LEU CA C 13 54.267 0.023 . 1 . . 43 . . 59 LEU CA . 51688 1 585 . 1 . 1 59 59 LEU CB C 13 43.613 0.04 . 1 . . 44 . . 59 LEU CB . 51688 1 586 . 1 . 1 59 59 LEU CG C 13 26.693 0.009 . 1 . . 1261 . . 59 LEU CG . 51688 1 587 . 1 . 1 59 59 LEU CD1 C 13 26.754 0.043 . 2 . . 787 . . 59 LEU CD1 . 51688 1 588 . 1 . 1 59 59 LEU CD2 C 13 22.343 0.015 . 2 . . 1262 . . 59 LEU CD2 . 51688 1 589 . 1 . 1 59 59 LEU N N 15 116.829 0.032 . 1 . . 42 . . 59 LEU N . 51688 1 590 . 1 . 1 60 60 GLY H H 1 7.713 0.005 . 1 . . 61 . . 60 GLY H . 51688 1 591 . 1 . 1 60 60 GLY HA2 H 1 3.949 0.014 . 2 . . 558 . . 60 GLY HA2 . 51688 1 592 . 1 . 1 60 60 GLY HA3 H 1 3.949 0.014 . 2 . . 948 . . 60 GLY HA3 . 51688 1 593 . 1 . 1 60 60 GLY C C 13 174.809 0.021 . 1 . . 62 . . 60 GLY C . 51688 1 594 . 1 . 1 60 60 GLY CA C 13 46.882 0.066 . 1 . . 947 . . 60 GLY CA . 51688 1 595 . 1 . 1 60 60 GLY N N 15 109.243 0.026 . 1 . . 60 . . 60 GLY N . 51688 1 596 . 1 . 1 61 61 LEU H H 1 7.317 0.008 . 1 . . 63 . . 61 LEU H . 51688 1 597 . 1 . 1 61 61 LEU HA H 1 4.553 0.005 . 1 . . 791 . . 61 LEU HA . 51688 1 598 . 1 . 1 61 61 LEU HB2 H 1 1.576 0.007 . 2 . . 792 . . 61 LEU HB2 . 51688 1 599 . 1 . 1 61 61 LEU HB3 H 1 1.187 0.004 . 2 . . 793 . . 61 LEU HB3 . 51688 1 600 . 1 . 1 61 61 LEU HG H 1 1.437 0.007 . 1 . . 795 . . 61 LEU HG . 51688 1 601 . 1 . 1 61 61 LEU HD11 H 1 0.631 0.006 . 2 . . 796 . . 61 LEU HD11 . 51688 1 602 . 1 . 1 61 61 LEU HD12 H 1 0.631 0.006 . 2 . . 796 . . 61 LEU HD12 . 51688 1 603 . 1 . 1 61 61 LEU HD13 H 1 0.631 0.006 . 2 . . 796 . . 61 LEU HD13 . 51688 1 604 . 1 . 1 61 61 LEU HD21 H 1 0.820 0.004 . 2 . . 798 . . 61 LEU HD21 . 51688 1 605 . 1 . 1 61 61 LEU HD22 H 1 0.820 0.004 . 2 . . 798 . . 61 LEU HD22 . 51688 1 606 . 1 . 1 61 61 LEU HD23 H 1 0.820 0.004 . 2 . . 798 . . 61 LEU HD23 . 51688 1 607 . 1 . 1 61 61 LEU C C 13 175.834 0.012 . 1 . . 65 . . 61 LEU C . 51688 1 608 . 1 . 1 61 61 LEU CA C 13 53.033 0.035 . 1 . . 66 . . 61 LEU CA . 51688 1 609 . 1 . 1 61 61 LEU CB C 13 44.421 0.038 . 1 . . 67 . . 61 LEU CB . 51688 1 610 . 1 . 1 61 61 LEU CG C 13 27.085 0.06 . 1 . . 797 . . 61 LEU CG . 51688 1 611 . 1 . 1 61 61 LEU CD1 C 13 25.768 0.047 . 2 . . 794 . . 61 LEU CD1 . 51688 1 612 . 1 . 1 61 61 LEU CD2 C 13 22.348 0.032 . 2 . . 799 . . 61 LEU CD2 . 51688 1 613 . 1 . 1 61 61 LEU N N 15 118.018 0.031 . 1 . . 64 . . 61 LEU N . 51688 1 614 . 1 . 1 62 62 SER H H 1 8.407 0.004 . 1 . . 68 . . 62 SER H . 51688 1 615 . 1 . 1 62 62 SER HA H 1 4.393 0.016 . 1 . . 988 . . 62 SER HA . 51688 1 616 . 1 . 1 62 62 SER HB2 H 1 4.008 0.009 . 2 . . 989 . . 62 SER HB2 . 51688 1 617 . 1 . 1 62 62 SER HB3 H 1 3.915 0.003 . 2 . . 990 . . 62 SER HB3 . 51688 1 618 . 1 . 1 62 62 SER C C 13 176.103 0.012 . 1 . . 70 . . 62 SER C . 51688 1 619 . 1 . 1 62 62 SER CA C 13 57.777 0.036 . 1 . . 72 . . 62 SER CA . 51688 1 620 . 1 . 1 62 62 SER CB C 13 63.294 0.035 . 1 . . 71 . . 62 SER CB . 51688 1 621 . 1 . 1 62 62 SER N N 15 114.290 0.045 . 1 . . 69 . . 62 SER N . 51688 1 622 . 1 . 1 63 63 GLN H H 1 9.055 0.004 . 1 . . 73 . . 63 GLN H . 51688 1 623 . 1 . 1 63 63 GLN HA H 1 3.634 0.009 . 1 . . 1036 . . 63 GLN HA . 51688 1 624 . 1 . 1 63 63 GLN HB2 H 1 1.955 0.01 . 2 . . 1037 . . 63 GLN HB2 . 51688 1 625 . 1 . 1 63 63 GLN HB3 H 1 2.080 0.003 . 2 . . 1038 . . 63 GLN HB3 . 51688 1 626 . 1 . 1 63 63 GLN HG2 H 1 2.092 0.006 . 2 . . 801 . . 63 GLN HG2 . 51688 1 627 . 1 . 1 63 63 GLN HG3 H 1 2.298 0.011 . 2 . . 1039 . . 63 GLN HG3 . 51688 1 628 . 1 . 1 63 63 GLN C C 13 177.955 0.01 . 1 . . 78 . . 63 GLN C . 51688 1 629 . 1 . 1 63 63 GLN CA C 13 60.173 0.019 . 1 . . 75 . . 63 GLN CA . 51688 1 630 . 1 . 1 63 63 GLN CB C 13 28.414 0.013 . 1 . . 76 . . 63 GLN CB . 51688 1 631 . 1 . 1 63 63 GLN CG C 13 33.894 0.033 . 1 . . 800 . . 63 GLN CG . 51688 1 632 . 1 . 1 63 63 GLN CD C 13 180.136 . . 1 . . 1216 . . 63 GLN CD . 51688 1 633 . 1 . 1 63 63 GLN N N 15 129.035 0.036 . 1 . . 74 . . 63 GLN N . 51688 1 634 . 1 . 1 64 64 GLY H H 1 8.732 0.004 . 1 . . 77 . . 64 GLY H . 51688 1 635 . 1 . 1 64 64 GLY HA2 H 1 3.865 0.012 . 2 . . 949 . . 64 GLY HA2 . 51688 1 636 . 1 . 1 64 64 GLY HA3 H 1 3.739 0.005 . 2 . . 950 . . 64 GLY HA3 . 51688 1 637 . 1 . 1 64 64 GLY C C 13 176.448 0.019 . 1 . . 80 . . 64 GLY C . 51688 1 638 . 1 . 1 64 64 GLY CA C 13 47.258 0.046 . 1 . . 79 . . 64 GLY CA . 51688 1 639 . 1 . 1 64 64 GLY N N 15 106.410 0.025 . 1 . . 561 . . 64 GLY N . 51688 1 640 . 1 . 1 65 65 SER H H 1 7.476 0.009 . 1 . . 81 . . 65 SER H . 51688 1 641 . 1 . 1 65 65 SER HA H 1 4.319 0.011 . 1 . . 985 . . 65 SER HA . 51688 1 642 . 1 . 1 65 65 SER HB2 H 1 3.953 0.009 . 2 . . 986 . . 65 SER HB2 . 51688 1 643 . 1 . 1 65 65 SER HB3 H 1 3.952 0.01 . 2 . . 987 . . 65 SER HB3 . 51688 1 644 . 1 . 1 65 65 SER C C 13 176.910 0.018 . 1 . . 85 . . 65 SER C . 51688 1 645 . 1 . 1 65 65 SER CA C 13 61.199 0.053 . 1 . . 83 . . 65 SER CA . 51688 1 646 . 1 . 1 65 65 SER CB C 13 62.889 0.062 . 1 . . 174 . . 65 SER CB . 51688 1 647 . 1 . 1 65 65 SER N N 15 116.486 0.043 . 1 . . 82 . . 65 SER N . 51688 1 648 . 1 . 1 66 66 VAL H H 1 7.713 0.01 . 1 . . 86 . . 66 VAL H . 51688 1 649 . 1 . 1 66 66 VAL HA H 1 3.606 0.009 . 1 . . 686 . . 66 VAL HA . 51688 1 650 . 1 . 1 66 66 VAL HB H 1 2.045 0.004 . 1 . . 613 . . 66 VAL HB . 51688 1 651 . 1 . 1 66 66 VAL HG11 H 1 0.868 0.01 . 2 . . 711 . . 66 VAL HG11 . 51688 1 652 . 1 . 1 66 66 VAL HG12 H 1 0.868 0.01 . 2 . . 711 . . 66 VAL HG12 . 51688 1 653 . 1 . 1 66 66 VAL HG13 H 1 0.868 0.01 . 2 . . 711 . . 66 VAL HG13 . 51688 1 654 . 1 . 1 66 66 VAL HG21 H 1 0.936 0.008 . 2 . . 1265 . . 66 VAL HG21 . 51688 1 655 . 1 . 1 66 66 VAL HG22 H 1 0.936 0.008 . 2 . . 1265 . . 66 VAL HG22 . 51688 1 656 . 1 . 1 66 66 VAL HG23 H 1 0.936 0.008 . 2 . . 1265 . . 66 VAL HG23 . 51688 1 657 . 1 . 1 66 66 VAL C C 13 177.677 0.013 . 1 . . 90 . . 66 VAL C . 51688 1 658 . 1 . 1 66 66 VAL CA C 13 66.183 0.054 . 1 . . 89 . . 66 VAL CA . 51688 1 659 . 1 . 1 66 66 VAL CB C 13 31.669 0.059 . 1 . . 88 . . 66 VAL CB . 51688 1 660 . 1 . 1 66 66 VAL CG1 C 13 22.778 0.062 . 2 . . 712 . . 66 VAL CG1 . 51688 1 661 . 1 . 1 66 66 VAL CG2 C 13 23.423 0.066 . 2 . . 1266 . . 66 VAL CG2 . 51688 1 662 . 1 . 1 66 66 VAL N N 15 119.748 0.045 . 1 . . 87 . . 66 VAL N . 51688 1 663 . 1 . 1 67 67 GLN H H 1 8.876 0.007 . 1 . . 91 . . 67 GLN H . 51688 1 664 . 1 . 1 67 67 GLN HA H 1 3.656 0.01 . 1 . . 1232 . . 67 GLN HA . 51688 1 665 . 1 . 1 67 67 GLN HB2 H 1 2.162 0.005 . 2 . . 1233 . . 67 GLN HB2 . 51688 1 666 . 1 . 1 67 67 GLN HB3 H 1 2.162 0.003 . 2 . . 1234 . . 67 GLN HB3 . 51688 1 667 . 1 . 1 67 67 GLN HG2 H 1 2.366 0.003 . 2 . . 1235 . . 67 GLN HG2 . 51688 1 668 . 1 . 1 67 67 GLN HG3 H 1 2.366 0.003 . 2 . . 1236 . . 67 GLN HG3 . 51688 1 669 . 1 . 1 67 67 GLN HE21 H 1 7.293 0.004 . 1 . . 1223 . . 67 GLN HE21 . 51688 1 670 . 1 . 1 67 67 GLN HE22 H 1 6.538 0.006 . 1 . . 1225 . . 67 GLN HE22 . 51688 1 671 . 1 . 1 67 67 GLN C C 13 177.817 0.019 . 1 . . 92 . . 67 GLN C . 51688 1 672 . 1 . 1 67 67 GLN CA C 13 60.142 0.025 . 1 . . 93 . . 67 GLN CA . 51688 1 673 . 1 . 1 67 67 GLN CB C 13 28.252 0.042 . 1 . . 94 . . 67 GLN CB . 51688 1 674 . 1 . 1 67 67 GLN CG C 13 33.868 0.062 . 1 . . 1226 . . 67 GLN CG . 51688 1 675 . 1 . 1 67 67 GLN CD C 13 178.870 . . 1 . . 1237 . . 67 GLN CD . 51688 1 676 . 1 . 1 67 67 GLN N N 15 120.868 0.038 . 1 . . 570 . . 67 GLN N . 51688 1 677 . 1 . 1 67 67 GLN NE2 N 15 110.259 0.034 . 1 . . 1224 . . 67 GLN NE2 . 51688 1 678 . 1 . 1 68 68 ASN H H 1 7.803 0.007 . 1 . . 95 . . 68 ASN H . 51688 1 679 . 1 . 1 68 68 ASN HA H 1 4.452 0.011 . 1 . . 617 . . 68 ASN HA . 51688 1 680 . 1 . 1 68 68 ASN HB2 H 1 2.885 0.011 . 2 . . 615 . . 68 ASN HB2 . 51688 1 681 . 1 . 1 68 68 ASN HB3 H 1 2.920 0.014 . 2 . . 616 . . 68 ASN HB3 . 51688 1 682 . 1 . 1 68 68 ASN HD21 H 1 7.565 0.003 . 1 . . 1191 . . 68 ASN HD21 . 51688 1 683 . 1 . 1 68 68 ASN HD22 H 1 6.817 0.003 . 1 . . 1193 . . 68 ASN HD22 . 51688 1 684 . 1 . 1 68 68 ASN C C 13 177.603 0.041 . 1 . . 96 . . 68 ASN C . 51688 1 685 . 1 . 1 68 68 ASN CA C 13 56.699 0.037 . 1 . . 98 . . 68 ASN CA . 51688 1 686 . 1 . 1 68 68 ASN CB C 13 38.430 0.059 . 1 . . 99 . . 68 ASN CB . 51688 1 687 . 1 . 1 68 68 ASN CG C 13 175.788 0.001 . 1 . . 1192 . . 68 ASN CG . 51688 1 688 . 1 . 1 68 68 ASN N N 15 117.770 0.032 . 1 . . 97 . . 68 ASN N . 51688 1 689 . 1 . 1 68 68 ASN ND2 N 15 112.233 0.013 . 1 . . 1190 . . 68 ASN ND2 . 51688 1 690 . 1 . 1 69 69 ILE H H 1 7.530 0.007 . 1 . . 100 . . 69 ILE H . 51688 1 691 . 1 . 1 69 69 ILE HA H 1 3.861 0.01 . 1 . . 802 . . 69 ILE HA . 51688 1 692 . 1 . 1 69 69 ILE HB H 1 1.853 0.008 . 1 . . 803 . . 69 ILE HB . 51688 1 693 . 1 . 1 69 69 ILE HG12 H 1 1.776 0.004 . 2 . . 805 . . 69 ILE HG12 . 51688 1 694 . 1 . 1 69 69 ILE HG13 H 1 1.183 0.006 . 2 . . 806 . . 69 ILE HG13 . 51688 1 695 . 1 . 1 69 69 ILE HG21 H 1 0.994 0.005 . 1 . . 808 . . 69 ILE HG21 . 51688 1 696 . 1 . 1 69 69 ILE HG22 H 1 0.994 0.005 . 1 . . 808 . . 69 ILE HG22 . 51688 1 697 . 1 . 1 69 69 ILE HG23 H 1 0.994 0.005 . 1 . . 808 . . 69 ILE HG23 . 51688 1 698 . 1 . 1 69 69 ILE HD11 H 1 0.823 0.008 . 1 . . 810 . . 69 ILE HD11 . 51688 1 699 . 1 . 1 69 69 ILE HD12 H 1 0.823 0.008 . 1 . . 810 . . 69 ILE HD12 . 51688 1 700 . 1 . 1 69 69 ILE HD13 H 1 0.823 0.008 . 1 . . 810 . . 69 ILE HD13 . 51688 1 701 . 1 . 1 69 69 ILE C C 13 178.459 0.018 . 1 . . 102 . . 69 ILE C . 51688 1 702 . 1 . 1 69 69 ILE CA C 13 64.841 0.039 . 1 . . 103 . . 69 ILE CA . 51688 1 703 . 1 . 1 69 69 ILE CB C 13 38.742 0.093 . 1 . . 104 . . 69 ILE CB . 51688 1 704 . 1 . 1 69 69 ILE CG1 C 13 29.194 0.02 . 1 . . 804 . . 69 ILE CG1 . 51688 1 705 . 1 . 1 69 69 ILE CG2 C 13 17.706 0.026 . 1 . . 807 . . 69 ILE CG2 . 51688 1 706 . 1 . 1 69 69 ILE CD1 C 13 13.359 0.048 . 1 . . 809 . . 69 ILE CD1 . 51688 1 707 . 1 . 1 69 69 ILE N N 15 120.087 0.037 . 1 . . 101 . . 69 ILE N . 51688 1 708 . 1 . 1 70 70 MET H H 1 8.543 0.008 . 1 . . 105 . . 70 MET H . 51688 1 709 . 1 . 1 70 70 MET HA H 1 4.211 0.007 . 1 . . 647 . . 70 MET HA . 51688 1 710 . 1 . 1 70 70 MET HB2 H 1 2.183 0.01 . 2 . . 716 . . 70 MET HB2 . 51688 1 711 . 1 . 1 70 70 MET HB3 H 1 1.906 0.011 . 2 . . 1267 . . 70 MET HB3 . 51688 1 712 . 1 . 1 70 70 MET HG2 H 1 2.629 0.019 . 2 . . 714 . . 70 MET HG2 . 51688 1 713 . 1 . 1 70 70 MET HG3 H 1 2.597 0.013 . 2 . . 715 . . 70 MET HG3 . 51688 1 714 . 1 . 1 70 70 MET HE1 H 1 1.840 0.01 . 1 . . 1362 . . 70 MET HE1 . 51688 1 715 . 1 . 1 70 70 MET HE2 H 1 1.840 0.01 . 1 . . 1362 . . 70 MET HE2 . 51688 1 716 . 1 . 1 70 70 MET HE3 H 1 1.840 0.01 . 1 . . 1362 . . 70 MET HE3 . 51688 1 717 . 1 . 1 70 70 MET C C 13 178.398 0.02 . 1 . . 109 . . 70 MET C . 51688 1 718 . 1 . 1 70 70 MET CA C 13 57.520 0.02 . 1 . . 107 . . 70 MET CA . 51688 1 719 . 1 . 1 70 70 MET CB C 13 32.096 0.084 . 1 . . 108 . . 70 MET CB . 51688 1 720 . 1 . 1 70 70 MET CG C 13 32.635 0.06 . 1 . . 713 . . 70 MET CG . 51688 1 721 . 1 . 1 70 70 MET CE C 13 17.667 0.036 . 1 . . 1363 . . 70 MET CE . 51688 1 722 . 1 . 1 70 70 MET N N 15 118.061 0.048 . 1 . . 106 . . 70 MET N . 51688 1 723 . 1 . 1 71 71 SER H H 1 8.689 0.005 . 1 . . 507 . . 71 SER H . 51688 1 724 . 1 . 1 71 71 SER HA H 1 4.195 0.005 . 1 . . 982 . . 71 SER HA . 51688 1 725 . 1 . 1 71 71 SER HB2 H 1 3.965 0.015 . 2 . . 983 . . 71 SER HB2 . 51688 1 726 . 1 . 1 71 71 SER HB3 H 1 3.997 0.006 . 2 . . 984 . . 71 SER HB3 . 51688 1 727 . 1 . 1 71 71 SER C C 13 176.830 0.026 . 1 . . 542 . . 71 SER C . 51688 1 728 . 1 . 1 71 71 SER CA C 13 62.147 0.019 . 1 . . 509 . . 71 SER CA . 51688 1 729 . 1 . 1 71 71 SER CB C 13 62.663 0.051 . 1 . . 595 . . 71 SER CB . 51688 1 730 . 1 . 1 71 71 SER N N 15 114.515 0.02 . 1 . . 508 . . 71 SER N . 51688 1 731 . 1 . 1 72 72 GLN H H 1 7.727 0.009 . 1 . . 487 . . 72 GLN H . 51688 1 732 . 1 . 1 72 72 GLN HA H 1 4.116 0.009 . 1 . . 811 . . 72 GLN HA . 51688 1 733 . 1 . 1 72 72 GLN HB2 H 1 2.188 0.007 . 2 . . 812 . . 72 GLN HB2 . 51688 1 734 . 1 . 1 72 72 GLN HB3 H 1 2.224 0.006 . 2 . . 813 . . 72 GLN HB3 . 51688 1 735 . 1 . 1 72 72 GLN HG2 H 1 2.536 0.009 . 2 . . 815 . . 72 GLN HG2 . 51688 1 736 . 1 . 1 72 72 GLN HG3 H 1 2.374 0.01 . 2 . . 816 . . 72 GLN HG3 . 51688 1 737 . 1 . 1 72 72 GLN HE21 H 1 7.308 0.005 . 1 . . 1243 . . 72 GLN HE21 . 51688 1 738 . 1 . 1 72 72 GLN HE22 H 1 6.718 0.005 . 1 . . 1245 . . 72 GLN HE22 . 51688 1 739 . 1 . 1 72 72 GLN C C 13 178.976 0.008 . 1 . . 489 . . 72 GLN C . 51688 1 740 . 1 . 1 72 72 GLN CA C 13 58.961 0.041 . 1 . . 490 . . 72 GLN CA . 51688 1 741 . 1 . 1 72 72 GLN CB C 13 28.699 0.039 . 1 . . 491 . . 72 GLN CB . 51688 1 742 . 1 . 1 72 72 GLN CG C 13 33.952 0.054 . 1 . . 814 . . 72 GLN CG . 51688 1 743 . 1 . 1 72 72 GLN CD C 13 180.155 . . 1 . . 1276 . . 72 GLN CD . 51688 1 744 . 1 . 1 72 72 GLN N N 15 120.375 0.032 . 1 . . 488 . . 72 GLN N . 51688 1 745 . 1 . 1 72 72 GLN NE2 N 15 111.131 0.077 . 1 . . 1244 . . 72 GLN NE2 . 51688 1 746 . 1 . 1 73 73 GLN H H 1 8.187 0.007 . 1 . . 492 . . 73 GLN H . 51688 1 747 . 1 . 1 73 73 GLN HA H 1 4.185 0.01 . 1 . . 571 . . 73 GLN HA . 51688 1 748 . 1 . 1 73 73 GLN HB2 H 1 1.992 0.011 . 2 . . 817 . . 73 GLN HB2 . 51688 1 749 . 1 . 1 73 73 GLN HB3 H 1 2.280 0.014 . 2 . . 1040 . . 73 GLN HB3 . 51688 1 750 . 1 . 1 73 73 GLN HG2 H 1 2.408 0.012 . 2 . . 819 . . 73 GLN HG2 . 51688 1 751 . 1 . 1 73 73 GLN HG3 H 1 2.574 0.008 . 2 . . 820 . . 73 GLN HG3 . 51688 1 752 . 1 . 1 73 73 GLN HE21 H 1 7.369 0.006 . 1 . . 1278 . . 73 GLN HE21 . 51688 1 753 . 1 . 1 73 73 GLN HE22 H 1 6.782 0.006 . 1 . . 1279 . . 73 GLN HE22 . 51688 1 754 . 1 . 1 73 73 GLN C C 13 178.442 0.018 . 1 . . 494 . . 73 GLN C . 51688 1 755 . 1 . 1 73 73 GLN CA C 13 58.410 0.018 . 1 . . 495 . . 73 GLN CA . 51688 1 756 . 1 . 1 73 73 GLN CB C 13 28.972 0.041 . 1 . . 496 . . 73 GLN CB . 51688 1 757 . 1 . 1 73 73 GLN CG C 13 34.139 0.022 . 1 . . 818 . . 73 GLN CG . 51688 1 758 . 1 . 1 73 73 GLN CD C 13 178.720 . . 1 . . 1280 . . 73 GLN CD . 51688 1 759 . 1 . 1 73 73 GLN N N 15 117.028 0.04 . 1 . . 493 . . 73 GLN N . 51688 1 760 . 1 . 1 73 73 GLN NE2 N 15 111.270 0.061 . 1 . . 1277 . . 73 GLN NE2 . 51688 1 761 . 1 . 1 74 74 LEU H H 1 8.233 0.007 . 1 . . 530 . . 74 LEU H . 51688 1 762 . 1 . 1 74 74 LEU HA H 1 4.365 0.008 . 1 . . 825 . . 74 LEU HA . 51688 1 763 . 1 . 1 74 74 LEU HB2 H 1 1.596 0.014 . 2 . . 821 . . 74 LEU HB2 . 51688 1 764 . 1 . 1 74 74 LEU HB3 H 1 1.839 0.007 . 2 . . 822 . . 74 LEU HB3 . 51688 1 765 . 1 . 1 74 74 LEU HG H 1 1.758 0.015 . 1 . . 1264 . . 74 LEU HG . 51688 1 766 . 1 . 1 74 74 LEU HD11 H 1 0.760 0.005 . 2 . . 824 . . 74 LEU HD11 . 51688 1 767 . 1 . 1 74 74 LEU HD12 H 1 0.760 0.005 . 2 . . 824 . . 74 LEU HD12 . 51688 1 768 . 1 . 1 74 74 LEU HD13 H 1 0.760 0.005 . 2 . . 824 . . 74 LEU HD13 . 51688 1 769 . 1 . 1 74 74 LEU HD21 H 1 0.826 0.009 . 2 . . 827 . . 74 LEU HD21 . 51688 1 770 . 1 . 1 74 74 LEU HD22 H 1 0.826 0.009 . 2 . . 827 . . 74 LEU HD22 . 51688 1 771 . 1 . 1 74 74 LEU HD23 H 1 0.826 0.009 . 2 . . 827 . . 74 LEU HD23 . 51688 1 772 . 1 . 1 74 74 LEU C C 13 178.247 0.033 . 1 . . 532 . . 74 LEU C . 51688 1 773 . 1 . 1 74 74 LEU CA C 13 56.017 0.023 . 1 . . 533 . . 74 LEU CA . 51688 1 774 . 1 . 1 74 74 LEU CB C 13 41.080 0.043 . 1 . . 534 . . 74 LEU CB . 51688 1 775 . 1 . 1 74 74 LEU CG C 13 27.270 0.008 . 1 . . 1263 . . 74 LEU CG . 51688 1 776 . 1 . 1 74 74 LEU CD1 C 13 22.900 0.054 . 2 . . 823 . . 74 LEU CD1 . 51688 1 777 . 1 . 1 74 74 LEU CD2 C 13 26.266 0.047 . 2 . . 826 . . 74 LEU CD2 . 51688 1 778 . 1 . 1 74 74 LEU N N 15 116.964 0.034 . 1 . . 531 . . 74 LEU N . 51688 1 779 . 1 . 1 75 75 SER H H 1 7.671 0.005 . 1 . . 360 . . 75 SER H . 51688 1 780 . 1 . 1 75 75 SER HA H 1 4.235 0.003 . 1 . . 971 . . 75 SER HA . 51688 1 781 . 1 . 1 75 75 SER HB2 H 1 4.032 0.002 . 2 . . 972 . . 75 SER HB2 . 51688 1 782 . 1 . 1 75 75 SER HB3 H 1 4.032 0.002 . 2 . . 973 . . 75 SER HB3 . 51688 1 783 . 1 . 1 75 75 SER C C 13 175.508 0.011 . 1 . . 364 . . 75 SER C . 51688 1 784 . 1 . 1 75 75 SER CA C 13 61.306 0.022 . 1 . . 362 . . 75 SER CA . 51688 1 785 . 1 . 1 75 75 SER CB C 13 63.249 0.056 . 1 . . 363 . . 75 SER CB . 51688 1 786 . 1 . 1 75 75 SER N N 15 114.269 0.02 . 1 . . 361 . . 75 SER N . 51688 1 787 . 1 . 1 76 76 SER H H 1 7.718 0.007 . 1 . . 355 . . 76 SER H . 51688 1 788 . 1 . 1 76 76 SER HA H 1 4.492 0.011 . 1 . . 979 . . 76 SER HA . 51688 1 789 . 1 . 1 76 76 SER HB2 H 1 3.919 0.011 . 2 . . 980 . . 76 SER HB2 . 51688 1 790 . 1 . 1 76 76 SER HB3 H 1 4.005 0.009 . 2 . . 981 . . 76 SER HB3 . 51688 1 791 . 1 . 1 76 76 SER C C 13 174.834 0.029 . 1 . . 357 . . 76 SER C . 51688 1 792 . 1 . 1 76 76 SER CA C 13 59.060 0.053 . 1 . . 358 . . 76 SER CA . 51688 1 793 . 1 . 1 76 76 SER CB C 13 63.787 0.067 . 1 . . 359 . . 76 SER CB . 51688 1 794 . 1 . 1 76 76 SER N N 15 114.365 0.03 . 1 . . 356 . . 76 SER N . 51688 1 795 . 1 . 1 77 77 ILE H H 1 7.321 0.007 . 1 . . 350 . . 77 ILE H . 51688 1 796 . 1 . 1 77 77 ILE HA H 1 4.193 0.003 . 1 . . 828 . . 77 ILE HA . 51688 1 797 . 1 . 1 77 77 ILE HB H 1 1.929 0.005 . 1 . . 829 . . 77 ILE HB . 51688 1 798 . 1 . 1 77 77 ILE HG12 H 1 1.330 0.011 . 2 . . 831 . . 77 ILE HG12 . 51688 1 799 . 1 . 1 77 77 ILE HG13 H 1 1.536 0.014 . 2 . . 832 . . 77 ILE HG13 . 51688 1 800 . 1 . 1 77 77 ILE HG21 H 1 0.910 0.007 . 1 . . 834 . . 77 ILE HG21 . 51688 1 801 . 1 . 1 77 77 ILE HG22 H 1 0.910 0.007 . 1 . . 834 . . 77 ILE HG22 . 51688 1 802 . 1 . 1 77 77 ILE HG23 H 1 0.910 0.007 . 1 . . 834 . . 77 ILE HG23 . 51688 1 803 . 1 . 1 77 77 ILE HD11 H 1 0.827 0.011 . 1 . . 836 . . 77 ILE HD11 . 51688 1 804 . 1 . 1 77 77 ILE HD12 H 1 0.827 0.011 . 1 . . 836 . . 77 ILE HD12 . 51688 1 805 . 1 . 1 77 77 ILE HD13 H 1 0.827 0.011 . 1 . . 836 . . 77 ILE HD13 . 51688 1 806 . 1 . 1 77 77 ILE C C 13 176.011 0.018 . 1 . . 352 . . 77 ILE C . 51688 1 807 . 1 . 1 77 77 ILE CA C 13 61.912 0.031 . 1 . . 353 . . 77 ILE CA . 51688 1 808 . 1 . 1 77 77 ILE CB C 13 38.368 0.035 . 1 . . 354 . . 77 ILE CB . 51688 1 809 . 1 . 1 77 77 ILE CG1 C 13 27.009 0.028 . 1 . . 830 . . 77 ILE CG1 . 51688 1 810 . 1 . 1 77 77 ILE CG2 C 13 17.728 0.022 . 1 . . 833 . . 77 ILE CG2 . 51688 1 811 . 1 . 1 77 77 ILE CD1 C 13 13.697 0.001 . 1 . . 835 . . 77 ILE CD1 . 51688 1 812 . 1 . 1 77 77 ILE N N 15 119.230 0.023 . 1 . . 351 . . 77 ILE N . 51688 1 813 . 1 . 1 78 78 GLY H H 1 7.863 0.007 . 1 . . 346 . . 78 GLY H . 51688 1 814 . 1 . 1 78 78 GLY HA2 H 1 4.021 0.004 . 2 . . 951 . . 78 GLY HA2 . 51688 1 815 . 1 . 1 78 78 GLY HA3 H 1 4.021 0.004 . 2 . . 952 . . 78 GLY HA3 . 51688 1 816 . 1 . 1 78 78 GLY C C 13 173.488 0.014 . 1 . . 348 . . 78 GLY C . 51688 1 817 . 1 . 1 78 78 GLY CA C 13 45.190 0.021 . 1 . . 349 . . 78 GLY CA . 51688 1 818 . 1 . 1 78 78 GLY N N 15 110.872 0.034 . 1 . . 347 . . 78 GLY N . 51688 1 819 . 1 . 1 79 79 SER H H 1 8.273 0.006 . 1 . . 341 . . 79 SER H . 51688 1 820 . 1 . 1 79 79 SER HA H 1 4.427 0.004 . 1 . . 978 . . 79 SER HA . 51688 1 821 . 1 . 1 79 79 SER HB2 H 1 3.903 0.006 . 2 . . 648 . . 79 SER HB2 . 51688 1 822 . 1 . 1 79 79 SER HB3 H 1 3.903 0.006 . 2 . . 649 . . 79 SER HB3 . 51688 1 823 . 1 . 1 79 79 SER C C 13 175.840 0.023 . 1 . . 343 . . 79 SER C . 51688 1 824 . 1 . 1 79 79 SER CA C 13 59.176 0.022 . 1 . . 345 . . 79 SER CA . 51688 1 825 . 1 . 1 79 79 SER CB C 13 63.717 0.065 . 1 . . 344 . . 79 SER CB . 51688 1 826 . 1 . 1 79 79 SER N N 15 115.594 0.043 . 1 . . 342 . . 79 SER N . 51688 1 827 . 1 . 1 80 80 GLY H H 1 8.873 0.004 . 1 . . 329 . . 80 GLY H . 51688 1 828 . 1 . 1 80 80 GLY HA2 H 1 3.984 0.008 . 2 . . 953 . . 80 GLY HA2 . 51688 1 829 . 1 . 1 80 80 GLY HA3 H 1 4.428 0.0 . 2 . . 954 . . 80 GLY HA3 . 51688 1 830 . 1 . 1 80 80 GLY C C 13 174.365 0.007 . 1 . . 331 . . 80 GLY C . 51688 1 831 . 1 . 1 80 80 GLY CA C 13 45.732 0.009 . 1 . . 955 . . 80 GLY CA . 51688 1 832 . 1 . 1 80 80 GLY N N 15 112.537 0.027 . 1 . . 330 . . 80 GLY N . 51688 1 833 . 1 . 1 81 81 ALA H H 1 7.626 0.006 . 1 . . 332 . . 81 ALA H . 51688 1 834 . 1 . 1 81 81 ALA HA H 1 4.283 0.012 . 1 . . 601 . . 81 ALA HA . 51688 1 835 . 1 . 1 81 81 ALA HB1 H 1 1.401 0.01 . 1 . . 572 . . 81 ALA HB1 . 51688 1 836 . 1 . 1 81 81 ALA HB2 H 1 1.401 0.01 . 1 . . 572 . . 81 ALA HB2 . 51688 1 837 . 1 . 1 81 81 ALA HB3 H 1 1.401 0.01 . 1 . . 572 . . 81 ALA HB3 . 51688 1 838 . 1 . 1 81 81 ALA C C 13 177.288 0.028 . 1 . . 334 . . 81 ALA C . 51688 1 839 . 1 . 1 81 81 ALA CA C 13 52.367 0.016 . 1 . . 929 . . 81 ALA CA . 51688 1 840 . 1 . 1 81 81 ALA CB C 13 19.788 0.059 . 1 . . 335 . . 81 ALA CB . 51688 1 841 . 1 . 1 81 81 ALA N N 15 122.832 0.03 . 1 . . 333 . . 81 ALA N . 51688 1 842 . 1 . 1 82 82 SER H H 1 8.487 0.009 . 1 . . 336 . . 82 SER H . 51688 1 843 . 1 . 1 82 82 SER HA H 1 4.569 0.005 . 1 . . 1116 . . 82 SER HA . 51688 1 844 . 1 . 1 82 82 SER HB2 H 1 4.342 0.005 . 2 . . 650 . . 82 SER HB2 . 51688 1 845 . 1 . 1 82 82 SER HB3 H 1 4.063 0.007 . 2 . . 651 . . 82 SER HB3 . 51688 1 846 . 1 . 1 82 82 SER C C 13 175.575 0.002 . 1 . . 338 . . 82 SER C . 51688 1 847 . 1 . 1 82 82 SER CA C 13 57.181 0.03 . 1 . . 340 . . 82 SER CA . 51688 1 848 . 1 . 1 82 82 SER CB C 13 65.060 0.022 . 1 . . 339 . . 82 SER CB . 51688 1 849 . 1 . 1 82 82 SER N N 15 116.374 0.023 . 1 . . 337 . . 82 SER N . 51688 1 850 . 1 . 1 83 83 THR H H 1 8.942 0.009 . 1 . . 554 . . 83 THR H . 51688 1 851 . 1 . 1 83 83 THR HA H 1 3.897 0.006 . 1 . . 837 . . 83 THR HA . 51688 1 852 . 1 . 1 83 83 THR HB H 1 4.265 0.004 . 1 . . 1014 . . 83 THR HB . 51688 1 853 . 1 . 1 83 83 THR HG21 H 1 1.234 0.007 . 1 . . 652 . . 83 THR HG21 . 51688 1 854 . 1 . 1 83 83 THR HG22 H 1 1.234 0.007 . 1 . . 652 . . 83 THR HG22 . 51688 1 855 . 1 . 1 83 83 THR HG23 H 1 1.234 0.007 . 1 . . 652 . . 83 THR HG23 . 51688 1 856 . 1 . 1 83 83 THR C C 13 177.710 0.029 . 1 . . 622 . . 83 THR C . 51688 1 857 . 1 . 1 83 83 THR CA C 13 66.483 0.041 . 1 . . 556 . . 83 THR CA . 51688 1 858 . 1 . 1 83 83 THR CB C 13 68.105 0.053 . 1 . . 557 . . 83 THR CB . 51688 1 859 . 1 . 1 83 83 THR CG2 C 13 22.796 0.049 . 1 . . 838 . . 83 THR CG2 . 51688 1 860 . 1 . 1 83 83 THR N N 15 115.422 0.04 . 1 . . 555 . . 83 THR N . 51688 1 861 . 1 . 1 84 84 SER H H 1 8.324 0.01 . 1 . . 619 . . 84 SER H . 51688 1 862 . 1 . 1 84 84 SER HA H 1 4.234 0.002 . 1 . . 1275 . . 84 SER HA . 51688 1 863 . 1 . 1 84 84 SER HB2 H 1 3.871 0.006 . 1 . . 1274 . . 84 SER HB2 . 51688 1 864 . 1 . 1 84 84 SER C C 13 176.571 . . 1 . . 1313 . . 84 SER C . 51688 1 865 . 1 . 1 84 84 SER CA C 13 61.402 0.035 . 1 . . 977 . . 84 SER CA . 51688 1 866 . 1 . 1 84 84 SER CB C 13 62.367 0.005 . 1 . . 621 . . 84 SER CB . 51688 1 867 . 1 . 1 84 84 SER N N 15 118.027 0.011 . 1 . . 620 . . 84 SER N . 51688 1 868 . 1 . 1 85 85 SER H H 1 7.982 0.006 . 1 . . 515 . . 85 SER H . 51688 1 869 . 1 . 1 85 85 SER HA H 1 4.270 0.004 . 1 . . 653 . . 85 SER HA . 51688 1 870 . 1 . 1 85 85 SER HB2 H 1 3.917 0.006 . 2 . . 654 . . 85 SER HB2 . 51688 1 871 . 1 . 1 85 85 SER HB3 H 1 4.002 0.002 . 2 . . 746 . . 85 SER HB3 . 51688 1 872 . 1 . 1 85 85 SER C C 13 177.419 0.041 . 1 . . 519 . . 85 SER C . 51688 1 873 . 1 . 1 85 85 SER CA C 13 61.482 0.067 . 1 . . 518 . . 85 SER CA . 51688 1 874 . 1 . 1 85 85 SER CB C 13 62.777 0.04 . 1 . . 517 . . 85 SER CB . 51688 1 875 . 1 . 1 85 85 SER N N 15 119.819 0.04 . 1 . . 516 . . 85 SER N . 51688 1 876 . 1 . 1 86 86 LEU H H 1 8.448 0.012 . 1 . . 407 . . 86 LEU H . 51688 1 877 . 1 . 1 86 86 LEU HA H 1 4.028 0.009 . 1 . . 573 . . 86 LEU HA . 51688 1 878 . 1 . 1 86 86 LEU HB2 H 1 1.876 0.011 . 2 . . 839 . . 86 LEU HB2 . 51688 1 879 . 1 . 1 86 86 LEU HB3 H 1 1.404 0.007 . 2 . . 840 . . 86 LEU HB3 . 51688 1 880 . 1 . 1 86 86 LEU HG H 1 1.683 0.008 . 1 . . 842 . . 86 LEU HG . 51688 1 881 . 1 . 1 86 86 LEU HD11 H 1 0.856 0.007 . 2 . . 844 . . 86 LEU HD11 . 51688 1 882 . 1 . 1 86 86 LEU HD12 H 1 0.856 0.007 . 2 . . 844 . . 86 LEU HD12 . 51688 1 883 . 1 . 1 86 86 LEU HD13 H 1 0.856 0.007 . 2 . . 844 . . 86 LEU HD13 . 51688 1 884 . 1 . 1 86 86 LEU HD21 H 1 0.870 0.007 . 2 . . 846 . . 86 LEU HD21 . 51688 1 885 . 1 . 1 86 86 LEU HD22 H 1 0.870 0.007 . 2 . . 846 . . 86 LEU HD22 . 51688 1 886 . 1 . 1 86 86 LEU HD23 H 1 0.870 0.007 . 2 . . 846 . . 86 LEU HD23 . 51688 1 887 . 1 . 1 86 86 LEU C C 13 178.335 0.016 . 1 . . 411 . . 86 LEU C . 51688 1 888 . 1 . 1 86 86 LEU CA C 13 58.222 0.021 . 1 . . 409 . . 86 LEU CA . 51688 1 889 . 1 . 1 86 86 LEU CB C 13 43.238 0.045 . 1 . . 410 . . 86 LEU CB . 51688 1 890 . 1 . 1 86 86 LEU CG C 13 27.049 0.013 . 1 . . 841 . . 86 LEU CG . 51688 1 891 . 1 . 1 86 86 LEU CD1 C 13 26.048 0.009 . 2 . . 843 . . 86 LEU CD1 . 51688 1 892 . 1 . 1 86 86 LEU CD2 C 13 25.059 0.035 . 2 . . 845 . . 86 LEU CD2 . 51688 1 893 . 1 . 1 86 86 LEU N N 15 123.405 0.02 . 1 . . 408 . . 86 LEU N . 51688 1 894 . 1 . 1 87 87 SER H H 1 8.387 0.004 . 1 . . 412 . . 87 SER H . 51688 1 895 . 1 . 1 87 87 SER HA H 1 4.049 0.006 . 1 . . 655 . . 87 SER HA . 51688 1 896 . 1 . 1 87 87 SER HB2 H 1 3.862 0.0 . 1 . . 656 . . 87 SER HB2 . 51688 1 897 . 1 . 1 87 87 SER HB3 H 1 3.862 0.0 . 1 . . 745 . . 87 SER HB3 . 51688 1 898 . 1 . 1 87 87 SER C C 13 175.944 0.033 . 1 . . 541 . . 87 SER C . 51688 1 899 . 1 . 1 87 87 SER CA C 13 62.637 0.01 . 1 . . 413 . . 87 SER CA . 51688 1 900 . 1 . 1 87 87 SER N N 15 114.780 0.041 . 1 . . 574 . . 87 SER N . 51688 1 901 . 1 . 1 88 88 GLN H H 1 7.594 0.008 . 1 . . 240 . . 88 GLN H . 51688 1 902 . 1 . 1 88 88 GLN HA H 1 3.877 0.009 . 1 . . 657 . . 88 GLN HA . 51688 1 903 . 1 . 1 88 88 GLN HB2 H 1 2.137 0.007 . 2 . . 847 . . 88 GLN HB2 . 51688 1 904 . 1 . 1 88 88 GLN HB3 H 1 2.168 0.001 . 2 . . 1042 . . 88 GLN HB3 . 51688 1 905 . 1 . 1 88 88 GLN HG2 H 1 2.371 0.006 . 2 . . 848 . . 88 GLN HG2 . 51688 1 906 . 1 . 1 88 88 GLN HG3 H 1 2.396 0.008 . 2 . . 1041 . . 88 GLN HG3 . 51688 1 907 . 1 . 1 88 88 GLN HE21 H 1 6.640 0.005 . 1 . . 1182 . . 88 GLN HE21 . 51688 1 908 . 1 . 1 88 88 GLN HE22 H 1 7.259 0.013 . 1 . . 1183 . . 88 GLN HE22 . 51688 1 909 . 1 . 1 88 88 GLN C C 13 177.653 0.017 . 1 . . 242 . . 88 GLN C . 51688 1 910 . 1 . 1 88 88 GLN CA C 13 58.974 0.042 . 1 . . 243 . . 88 GLN CA . 51688 1 911 . 1 . 1 88 88 GLN CB C 13 28.567 0.012 . 1 . . 244 . . 88 GLN CB . 51688 1 912 . 1 . 1 88 88 GLN CG C 13 33.690 0.038 . 1 . . 849 . . 88 GLN CG . 51688 1 913 . 1 . 1 88 88 GLN CD C 13 179.720 0.006 . 1 . . 1184 . . 88 GLN CD . 51688 1 914 . 1 . 1 88 88 GLN N N 15 120.589 0.047 . 1 . . 241 . . 88 GLN N . 51688 1 915 . 1 . 1 88 88 GLN NE2 N 15 111.234 0.025 . 1 . . 1194 . . 88 GLN NE2 . 51688 1 916 . 1 . 1 89 89 ALA H H 1 8.077 0.011 . 1 . . 236 . . 89 ALA H . 51688 1 917 . 1 . 1 89 89 ALA HA H 1 4.210 0.008 . 1 . . 930 . . 89 ALA HA . 51688 1 918 . 1 . 1 89 89 ALA HB1 H 1 1.487 0.007 . 1 . . 575 . . 89 ALA HB1 . 51688 1 919 . 1 . 1 89 89 ALA HB2 H 1 1.487 0.007 . 1 . . 575 . . 89 ALA HB2 . 51688 1 920 . 1 . 1 89 89 ALA HB3 H 1 1.487 0.007 . 1 . . 575 . . 89 ALA HB3 . 51688 1 921 . 1 . 1 89 89 ALA C C 13 180.561 0.005 . 1 . . 238 . . 89 ALA C . 51688 1 922 . 1 . 1 89 89 ALA CA C 13 55.365 0.027 . 1 . . 931 . . 89 ALA CA . 51688 1 923 . 1 . 1 89 89 ALA CB C 13 18.552 0.053 . 1 . . 239 . . 89 ALA CB . 51688 1 924 . 1 . 1 89 89 ALA N N 15 122.046 0.022 . 1 . . 237 . . 89 ALA N . 51688 1 925 . 1 . 1 90 90 ILE H H 1 8.436 0.01 . 1 . . 231 . . 90 ILE H . 51688 1 926 . 1 . 1 90 90 ILE HA H 1 3.553 0.007 . 1 . . 658 . . 90 ILE HA . 51688 1 927 . 1 . 1 90 90 ILE HB H 1 1.789 0.01 . 1 . . 850 . . 90 ILE HB . 51688 1 928 . 1 . 1 90 90 ILE HG12 H 1 0.862 0.009 . 2 . . 1129 . . 90 ILE HG12 . 51688 1 929 . 1 . 1 90 90 ILE HG13 H 1 0.861 0.009 . 2 . . 1130 . . 90 ILE HG13 . 51688 1 930 . 1 . 1 90 90 ILE HG21 H 1 0.798 0.009 . 1 . . 852 . . 90 ILE HG21 . 51688 1 931 . 1 . 1 90 90 ILE HG22 H 1 0.798 0.009 . 1 . . 852 . . 90 ILE HG22 . 51688 1 932 . 1 . 1 90 90 ILE HG23 H 1 0.798 0.009 . 1 . . 852 . . 90 ILE HG23 . 51688 1 933 . 1 . 1 90 90 ILE HD11 H 1 0.787 0.004 . 1 . . 1272 . . 90 ILE HD11 . 51688 1 934 . 1 . 1 90 90 ILE HD12 H 1 0.787 0.004 . 1 . . 1272 . . 90 ILE HD12 . 51688 1 935 . 1 . 1 90 90 ILE HD13 H 1 0.787 0.004 . 1 . . 1272 . . 90 ILE HD13 . 51688 1 936 . 1 . 1 90 90 ILE C C 13 177.130 0.014 . 1 . . 233 . . 90 ILE C . 51688 1 937 . 1 . 1 90 90 ILE CA C 13 65.912 0.068 . 1 . . 234 . . 90 ILE CA . 51688 1 938 . 1 . 1 90 90 ILE CB C 13 38.279 0.064 . 1 . . 235 . . 90 ILE CB . 51688 1 939 . 1 . 1 90 90 ILE CG1 C 13 29.739 0.025 . 1 . . 1131 . . 90 ILE CG1 . 51688 1 940 . 1 . 1 90 90 ILE CG2 C 13 18.451 0.024 . 1 . . 851 . . 90 ILE CG2 . 51688 1 941 . 1 . 1 90 90 ILE CD1 C 13 13.770 0.008 . 1 . . 1271 . . 90 ILE CD1 . 51688 1 942 . 1 . 1 90 90 ILE N N 15 117.167 0.022 . 1 . . 232 . . 90 ILE N . 51688 1 943 . 1 . 1 91 91 ALA H H 1 8.161 0.008 . 1 . . 227 . . 91 ALA H . 51688 1 944 . 1 . 1 91 91 ALA HA H 1 3.843 0.009 . 1 . . 659 . . 91 ALA HA . 51688 1 945 . 1 . 1 91 91 ALA HB1 H 1 1.603 0.007 . 1 . . 660 . . 91 ALA HB1 . 51688 1 946 . 1 . 1 91 91 ALA HB2 H 1 1.603 0.007 . 1 . . 660 . . 91 ALA HB2 . 51688 1 947 . 1 . 1 91 91 ALA HB3 H 1 1.603 0.007 . 1 . . 660 . . 91 ALA HB3 . 51688 1 948 . 1 . 1 91 91 ALA C C 13 178.918 0.019 . 1 . . 229 . . 91 ALA C . 51688 1 949 . 1 . 1 91 91 ALA CA C 13 55.995 0.012 . 1 . . 932 . . 91 ALA CA . 51688 1 950 . 1 . 1 91 91 ALA CB C 13 19.673 0.02 . 1 . . 230 . . 91 ALA CB . 51688 1 951 . 1 . 1 91 91 ALA N N 15 121.311 0.04 . 1 . . 228 . . 91 ALA N . 51688 1 952 . 1 . 1 92 92 ASN H H 1 8.566 0.009 . 1 . . 222 . . 92 ASN H . 51688 1 953 . 1 . 1 92 92 ASN HA H 1 4.371 0.011 . 1 . . 576 . . 92 ASN HA . 51688 1 954 . 1 . 1 92 92 ASN HB2 H 1 2.749 0.006 . 2 . . 853 . . 92 ASN HB2 . 51688 1 955 . 1 . 1 92 92 ASN HB3 H 1 2.888 0.009 . 2 . . 854 . . 92 ASN HB3 . 51688 1 956 . 1 . 1 92 92 ASN HD21 H 1 6.906 0.005 . 1 . . 1201 . . 92 ASN HD21 . 51688 1 957 . 1 . 1 92 92 ASN HD22 H 1 7.439 0.008 . 1 . . 1202 . . 92 ASN HD22 . 51688 1 958 . 1 . 1 92 92 ASN C C 13 177.990 0.012 . 1 . . 224 . . 92 ASN C . 51688 1 959 . 1 . 1 92 92 ASN CA C 13 56.209 0.048 . 1 . . 225 . . 92 ASN CA . 51688 1 960 . 1 . 1 92 92 ASN CB C 13 38.770 0.048 . 1 . . 226 . . 92 ASN CB . 51688 1 961 . 1 . 1 92 92 ASN CG C 13 176.138 0.014 . 1 . . 1203 . . 92 ASN CG . 51688 1 962 . 1 . 1 92 92 ASN N N 15 115.949 0.024 . 1 . . 223 . . 92 ASN N . 51688 1 963 . 1 . 1 92 92 ASN ND2 N 15 112.078 0.042 . 1 . . 1200 . . 92 ASN ND2 . 51688 1 964 . 1 . 1 93 93 ALA H H 1 8.017 0.007 . 1 . . 217 . . 93 ALA H . 51688 1 965 . 1 . 1 93 93 ALA HA H 1 4.048 0.005 . 1 . . 578 . . 93 ALA HA . 51688 1 966 . 1 . 1 93 93 ALA HB1 H 1 1.503 0.007 . 1 . . 577 . . 93 ALA HB1 . 51688 1 967 . 1 . 1 93 93 ALA HB2 H 1 1.503 0.007 . 1 . . 577 . . 93 ALA HB2 . 51688 1 968 . 1 . 1 93 93 ALA HB3 H 1 1.503 0.007 . 1 . . 577 . . 93 ALA HB3 . 51688 1 969 . 1 . 1 93 93 ALA C C 13 179.228 0.008 . 1 . . 219 . . 93 ALA C . 51688 1 970 . 1 . 1 93 93 ALA CA C 13 55.266 0.026 . 1 . . 220 . . 93 ALA CA . 51688 1 971 . 1 . 1 93 93 ALA CB C 13 19.476 0.063 . 1 . . 221 . . 93 ALA CB . 51688 1 972 . 1 . 1 93 93 ALA N N 15 123.458 0.027 . 1 . . 218 . . 93 ALA N . 51688 1 973 . 1 . 1 94 94 VAL H H 1 8.446 0.007 . 1 . . 191 . . 94 VAL H . 51688 1 974 . 1 . 1 94 94 VAL HA H 1 3.303 0.004 . 1 . . 687 . . 94 VAL HA . 51688 1 975 . 1 . 1 94 94 VAL HB H 1 2.122 0.009 . 1 . . 688 . . 94 VAL HB . 51688 1 976 . 1 . 1 94 94 VAL HG11 H 1 0.905 0.009 . 2 . . 689 . . 94 VAL HG11 . 51688 1 977 . 1 . 1 94 94 VAL HG12 H 1 0.905 0.009 . 2 . . 689 . . 94 VAL HG12 . 51688 1 978 . 1 . 1 94 94 VAL HG13 H 1 0.905 0.009 . 2 . . 689 . . 94 VAL HG13 . 51688 1 979 . 1 . 1 94 94 VAL HG21 H 1 0.782 0.005 . 2 . . 690 . . 94 VAL HG21 . 51688 1 980 . 1 . 1 94 94 VAL HG22 H 1 0.782 0.005 . 2 . . 690 . . 94 VAL HG22 . 51688 1 981 . 1 . 1 94 94 VAL HG23 H 1 0.782 0.005 . 2 . . 690 . . 94 VAL HG23 . 51688 1 982 . 1 . 1 94 94 VAL C C 13 177.627 0.016 . 1 . . 192 . . 94 VAL C . 51688 1 983 . 1 . 1 94 94 VAL CA C 13 67.509 0.027 . 1 . . 193 . . 94 VAL CA . 51688 1 984 . 1 . 1 94 94 VAL CB C 13 31.191 0.023 . 1 . . 194 . . 94 VAL CB . 51688 1 985 . 1 . 1 94 94 VAL CG1 C 13 23.547 0.013 . 2 . . 736 . . 94 VAL CG1 . 51688 1 986 . 1 . 1 94 94 VAL CG2 C 13 21.937 0.016 . 2 . . 737 . . 94 VAL CG2 . 51688 1 987 . 1 . 1 94 94 VAL N N 15 117.219 0.049 . 1 . . 195 . . 94 VAL N . 51688 1 988 . 1 . 1 95 95 SER H H 1 8.317 0.009 . 1 . . 196 . . 95 SER H . 51688 1 989 . 1 . 1 95 95 SER HA H 1 3.997 0.012 . 1 . . 720 . . 95 SER HA . 51688 1 990 . 1 . 1 95 95 SER HB2 H 1 3.976 0.01 . 2 . . 721 . . 95 SER HB2 . 51688 1 991 . 1 . 1 95 95 SER HB3 H 1 3.959 0.01 . 2 . . 722 . . 95 SER HB3 . 51688 1 992 . 1 . 1 95 95 SER C C 13 177.240 0.021 . 1 . . 529 . . 95 SER C . 51688 1 993 . 1 . 1 95 95 SER CA C 13 62.258 0.023 . 1 . . 190 . . 95 SER CA . 51688 1 994 . 1 . 1 95 95 SER CB C 13 63.358 0.043 . 1 . . 198 . . 95 SER CB . 51688 1 995 . 1 . 1 95 95 SER N N 15 114.376 0.041 . 1 . . 197 . . 95 SER N . 51688 1 996 . 1 . 1 96 96 SER H H 1 8.076 0.004 . 1 . . 524 . . 96 SER H . 51688 1 997 . 1 . 1 96 96 SER HA H 1 4.223 0.007 . 1 . . 661 . . 96 SER HA . 51688 1 998 . 1 . 1 96 96 SER HB2 H 1 4.047 0.006 . 2 . . 662 . . 96 SER HB2 . 51688 1 999 . 1 . 1 96 96 SER HB3 H 1 4.043 0.004 . 2 . . 723 . . 96 SER HB3 . 51688 1 1000 . 1 . 1 96 96 SER C C 13 175.794 0.002 . 1 . . 528 . . 96 SER C . 51688 1 1001 . 1 . 1 96 96 SER CA C 13 62.127 0.011 . 1 . . 526 . . 96 SER CA . 51688 1 1002 . 1 . 1 96 96 SER CB C 13 63.169 0.03 . 1 . . 527 . . 96 SER CB . 51688 1 1003 . 1 . 1 96 96 SER N N 15 115.662 0.039 . 1 . . 525 . . 96 SER N . 51688 1 1004 . 1 . 1 97 97 ALA H H 1 7.933 0.004 . 1 . . 55 . . 97 ALA H . 51688 1 1005 . 1 . 1 97 97 ALA HA H 1 4.129 0.014 . 1 . . 933 . . 97 ALA HA . 51688 1 1006 . 1 . 1 97 97 ALA HB1 H 1 1.394 0.007 . 1 . . 579 . . 97 ALA HB1 . 51688 1 1007 . 1 . 1 97 97 ALA HB2 H 1 1.394 0.007 . 1 . . 579 . . 97 ALA HB2 . 51688 1 1008 . 1 . 1 97 97 ALA HB3 H 1 1.394 0.007 . 1 . . 579 . . 97 ALA HB3 . 51688 1 1009 . 1 . 1 97 97 ALA C C 13 178.183 0.005 . 1 . . 189 . . 97 ALA C . 51688 1 1010 . 1 . 1 97 97 ALA CA C 13 54.090 0.018 . 1 . . 57 . . 97 ALA CA . 51688 1 1011 . 1 . 1 97 97 ALA CB C 13 18.781 0.068 . 1 . . 58 . . 97 ALA CB . 51688 1 1012 . 1 . 1 97 97 ALA N N 15 122.034 0.04 . 1 . . 56 . . 97 ALA N . 51688 1 1013 . 1 . 1 98 98 VAL H H 1 8.007 0.009 . 1 . . 52 . . 98 VAL H . 51688 1 1014 . 1 . 1 98 98 VAL HA H 1 3.657 0.005 . 1 . . 691 . . 98 VAL HA . 51688 1 1015 . 1 . 1 98 98 VAL HB H 1 1.956 0.008 . 1 . . 580 . . 98 VAL HB . 51688 1 1016 . 1 . 1 98 98 VAL HG11 H 1 0.821 0.004 . 2 . . 581 . . 98 VAL HG11 . 51688 1 1017 . 1 . 1 98 98 VAL HG12 H 1 0.821 0.004 . 2 . . 581 . . 98 VAL HG12 . 51688 1 1018 . 1 . 1 98 98 VAL HG13 H 1 0.821 0.004 . 2 . . 581 . . 98 VAL HG13 . 51688 1 1019 . 1 . 1 98 98 VAL HG21 H 1 0.645 0.007 . 2 . . 692 . . 98 VAL HG21 . 51688 1 1020 . 1 . 1 98 98 VAL HG22 H 1 0.645 0.007 . 2 . . 692 . . 98 VAL HG22 . 51688 1 1021 . 1 . 1 98 98 VAL HG23 H 1 0.645 0.007 . 2 . . 692 . . 98 VAL HG23 . 51688 1 1022 . 1 . 1 98 98 VAL C C 13 177.780 0.002 . 1 . . 188 . . 98 VAL C . 51688 1 1023 . 1 . 1 98 98 VAL CA C 13 63.826 0.024 . 1 . . 53 . . 98 VAL CA . 51688 1 1024 . 1 . 1 98 98 VAL CB C 13 32.482 0.044 . 1 . . 54 . . 98 VAL CB . 51688 1 1025 . 1 . 1 98 98 VAL CG1 C 13 23.058 0.068 . 2 . . 734 . . 98 VAL CG1 . 51688 1 1026 . 1 . 1 98 98 VAL CG2 C 13 21.872 0.014 . 2 . . 735 . . 98 VAL CG2 . 51688 1 1027 . 1 . 1 98 98 VAL N N 15 113.787 0.041 . 1 . . 582 . . 98 VAL N . 51688 1 1028 . 1 . 1 99 99 GLN H H 1 7.891 0.006 . 1 . . 45 . . 99 GLN H . 51688 1 1029 . 1 . 1 99 99 GLN HA H 1 3.790 0.005 . 1 . . 855 . . 99 GLN HA . 51688 1 1030 . 1 . 1 99 99 GLN HB2 H 1 2.171 0.006 . 2 . . 856 . . 99 GLN HB2 . 51688 1 1031 . 1 . 1 99 99 GLN HB3 H 1 2.157 0.008 . 2 . . 857 . . 99 GLN HB3 . 51688 1 1032 . 1 . 1 99 99 GLN HG2 H 1 2.477 0.006 . 2 . . 859 . . 99 GLN HG2 . 51688 1 1033 . 1 . 1 99 99 GLN HG3 H 1 2.474 0.006 . 2 . . 860 . . 99 GLN HG3 . 51688 1 1034 . 1 . 1 99 99 GLN C C 13 176.259 0.024 . 1 . . 187 . . 99 GLN C . 51688 1 1035 . 1 . 1 99 99 GLN CA C 13 58.331 0.042 . 1 . . 47 . . 99 GLN CA . 51688 1 1036 . 1 . 1 99 99 GLN CB C 13 28.490 0.021 . 1 . . 48 . . 99 GLN CB . 51688 1 1037 . 1 . 1 99 99 GLN CG C 13 33.828 0.034 . 1 . . 858 . . 99 GLN CG . 51688 1 1038 . 1 . 1 99 99 GLN N N 15 121.193 0.032 . 1 . . 46 . . 99 GLN N . 51688 1 1039 . 1 . 1 100 100 GLY H H 1 8.476 0.009 . 1 . . 49 . . 100 GLY H . 51688 1 1040 . 1 . 1 100 100 GLY HA2 H 1 3.913 0.004 . 2 . . 956 . . 100 GLY HA2 . 51688 1 1041 . 1 . 1 100 100 GLY HA3 H 1 3.997 0.011 . 2 . . 957 . . 100 GLY HA3 . 51688 1 1042 . 1 . 1 100 100 GLY C C 13 173.836 0.012 . 1 . . 181 . . 100 GLY C . 51688 1 1043 . 1 . 1 100 100 GLY CA C 13 45.593 0.082 . 1 . . 51 . . 100 GLY CA . 51688 1 1044 . 1 . 1 100 100 GLY N N 15 110.776 0.039 . 1 . . 50 . . 100 GLY N . 51688 1 1045 . 1 . 1 101 101 SER H H 1 7.836 0.005 . 1 . . 183 . . 101 SER H . 51688 1 1046 . 1 . 1 101 101 SER HA H 1 4.696 0.004 . 1 . . 1113 . . 101 SER HA . 51688 1 1047 . 1 . 1 101 101 SER HB2 H 1 3.898 0.008 . 2 . . 1114 . . 101 SER HB2 . 51688 1 1048 . 1 . 1 101 101 SER HB3 H 1 4.108 0.006 . 2 . . 1115 . . 101 SER HB3 . 51688 1 1049 . 1 . 1 101 101 SER C C 13 175.763 0.001 . 1 . . 182 . . 101 SER C . 51688 1 1050 . 1 . 1 101 101 SER CA C 13 58.093 0.044 . 1 . . 186 . . 101 SER CA . 51688 1 1051 . 1 . 1 101 101 SER CB C 13 66.944 0.041 . 1 . . 185 . . 101 SER CB . 51688 1 1052 . 1 . 1 101 101 SER N N 15 115.812 0.046 . 1 . . 184 . . 101 SER N . 51688 1 1053 . 1 . 1 102 102 GLN H H 1 8.887 0.009 . 1 . . 177 . . 102 GLN H . 51688 1 1054 . 1 . 1 102 102 GLN HA H 1 4.116 0.005 . 1 . . 663 . . 102 GLN HA . 51688 1 1055 . 1 . 1 102 102 GLN HB2 H 1 2.133 0.013 . 2 . . 1044 . . 102 GLN HB2 . 51688 1 1056 . 1 . 1 102 102 GLN HB3 H 1 2.065 0.012 . 2 . . 1045 . . 102 GLN HB3 . 51688 1 1057 . 1 . 1 102 102 GLN HG2 H 1 2.396 0.009 . 1 . . 1046 . . 102 GLN HG2 . 51688 1 1058 . 1 . 1 102 102 GLN C C 13 176.105 0.012 . 1 . . 180 . . 102 GLN C . 51688 1 1059 . 1 . 1 102 102 GLN CA C 13 57.465 0.035 . 1 . . 1043 . . 102 GLN CA . 51688 1 1060 . 1 . 1 102 102 GLN CB C 13 28.236 0.035 . 1 . . 179 . . 102 GLN CB . 51688 1 1061 . 1 . 1 102 102 GLN CG C 13 34.141 0.047 . 1 . . 1281 . . 102 GLN CG . 51688 1 1062 . 1 . 1 102 102 GLN N N 15 119.859 0.028 . 1 . . 178 . . 102 GLN N . 51688 1 1063 . 1 . 1 103 103 ALA H H 1 7.751 0.006 . 1 . . 12 . . 103 ALA H . 51688 1 1064 . 1 . 1 103 103 ALA HA H 1 4.231 0.004 . 1 . . 934 . . 103 ALA HA . 51688 1 1065 . 1 . 1 103 103 ALA HB1 H 1 1.310 0.012 . 1 . . 935 . . 103 ALA HB1 . 51688 1 1066 . 1 . 1 103 103 ALA HB2 H 1 1.310 0.012 . 1 . . 935 . . 103 ALA HB2 . 51688 1 1067 . 1 . 1 103 103 ALA HB3 H 1 1.310 0.012 . 1 . . 935 . . 103 ALA HB3 . 51688 1 1068 . 1 . 1 103 103 ALA C C 13 177.298 0.024 . 1 . . 175 . . 103 ALA C . 51688 1 1069 . 1 . 1 103 103 ALA CA C 13 52.468 0.024 . 1 . . 936 . . 103 ALA CA . 51688 1 1070 . 1 . 1 103 103 ALA CB C 13 19.415 0.029 . 1 . . 14 . . 103 ALA CB . 51688 1 1071 . 1 . 1 103 103 ALA N N 15 119.318 0.031 . 1 . . 13 . . 103 ALA N . 51688 1 1072 . 1 . 1 104 104 ALA H H 1 6.854 0.009 . 1 . . 8 . . 104 ALA H . 51688 1 1073 . 1 . 1 104 104 ALA HA H 1 3.354 0.004 . 1 . . 1018 . . 104 ALA HA . 51688 1 1074 . 1 . 1 104 104 ALA HB1 H 1 0.495 0.003 . 1 . . 1019 . . 104 ALA HB1 . 51688 1 1075 . 1 . 1 104 104 ALA HB2 H 1 0.495 0.003 . 1 . . 1019 . . 104 ALA HB2 . 51688 1 1076 . 1 . 1 104 104 ALA HB3 H 1 0.495 0.003 . 1 . . 1019 . . 104 ALA HB3 . 51688 1 1077 . 1 . 1 104 104 ALA C C 13 174.515 0.0 . 1 . . 176 . . 104 ALA C . 51688 1 1078 . 1 . 1 104 104 ALA CA C 13 51.360 0.034 . 1 . . 11 . . 104 ALA CA . 51688 1 1079 . 1 . 1 104 104 ALA CB C 13 16.332 0.058 . 1 . . 10 . . 104 ALA CB . 51688 1 1080 . 1 . 1 104 104 ALA N N 15 121.678 0.028 . 1 . . 9 . . 104 ALA N . 51688 1 1081 . 1 . 1 105 105 ALA H H 1 7.262 0.007 . 1 . . 3 . . 105 ALA H . 51688 1 1082 . 1 . 1 105 105 ALA HA H 1 4.743 0.004 . 1 . . 1020 . . 105 ALA HA . 51688 1 1083 . 1 . 1 105 105 ALA HB1 H 1 1.262 0.007 . 1 . . 1021 . . 105 ALA HB1 . 51688 1 1084 . 1 . 1 105 105 ALA HB2 H 1 1.262 0.007 . 1 . . 1021 . . 105 ALA HB2 . 51688 1 1085 . 1 . 1 105 105 ALA HB3 H 1 1.262 0.007 . 1 . . 1021 . . 105 ALA HB3 . 51688 1 1086 . 1 . 1 105 105 ALA C C 13 174.528 0.004 . 1 . . 545 . . 105 ALA C . 51688 1 1087 . 1 . 1 105 105 ALA CA C 13 49.341 0.024 . 1 . . 2 . . 105 ALA CA . 51688 1 1088 . 1 . 1 105 105 ALA CB C 13 19.162 0.041 . 1 . . 4 . . 105 ALA CB . 51688 1 1089 . 1 . 1 105 105 ALA N N 15 128.115 0.038 . 1 . . 1 . . 105 ALA N . 51688 1 1090 . 1 . 1 106 106 PRO HA H 1 4.320 0.007 . 1 . . 1364 . . 106 PRO HA . 51688 1 1091 . 1 . 1 106 106 PRO HB2 H 1 2.160 0.015 . 1 . . 1358 . . 106 PRO HB2 . 51688 1 1092 . 1 . 1 106 106 PRO HB3 H 1 2.160 0.015 . 1 . . 1359 . . 106 PRO HB3 . 51688 1 1093 . 1 . 1 106 106 PRO HG2 H 1 1.901 0.004 . 2 . . 1360 . . 106 PRO HG2 . 51688 1 1094 . 1 . 1 106 106 PRO HG3 H 1 1.900 0.004 . 2 . . 1361 . . 106 PRO HG3 . 51688 1 1095 . 1 . 1 106 106 PRO HD2 H 1 4.166 0.007 . 2 . . 1353 . . 106 PRO HD2 . 51688 1 1096 . 1 . 1 106 106 PRO HD3 H 1 3.716 0.003 . 2 . . 1354 . . 106 PRO HD3 . 51688 1 1097 . 1 . 1 106 106 PRO C C 13 177.496 . . 1 . . 165 . . 106 PRO C . 51688 1 1098 . 1 . 1 106 106 PRO CA C 13 64.162 0.024 . 1 . . 164 . . 106 PRO CA . 51688 1 1099 . 1 . 1 106 106 PRO CB C 13 32.207 0.012 . 1 . . 163 . . 106 PRO CB . 51688 1 1100 . 1 . 1 106 106 PRO CD C 13 51.069 0.004 . 1 . . 1355 . . 106 PRO CD . 51688 1 1101 . 1 . 1 107 107 GLY H H 1 8.995 0.008 . 1 . . 159 . . 107 GLY H . 51688 1 1102 . 1 . 1 107 107 GLY HA2 H 1 4.433 0.005 . 2 . . 724 . . 107 GLY HA2 . 51688 1 1103 . 1 . 1 107 107 GLY HA3 H 1 3.924 0.006 . 2 . . 725 . . 107 GLY HA3 . 51688 1 1104 . 1 . 1 107 107 GLY C C 13 175.774 0.006 . 1 . . 161 . . 107 GLY C . 51688 1 1105 . 1 . 1 107 107 GLY CA C 13 45.852 0.033 . 1 . . 162 . . 107 GLY CA . 51688 1 1106 . 1 . 1 107 107 GLY N N 15 114.153 0.037 . 1 . . 160 . . 107 GLY N . 51688 1 1107 . 1 . 1 108 108 GLN H H 1 7.877 0.009 . 1 . . 154 . . 108 GLN H . 51688 1 1108 . 1 . 1 108 108 GLN HA H 1 4.791 0.008 . 1 . . 664 . . 108 GLN HA . 51688 1 1109 . 1 . 1 108 108 GLN HB2 H 1 2.179 0.007 . 2 . . 864 . . 108 GLN HB2 . 51688 1 1110 . 1 . 1 108 108 GLN HB3 H 1 2.724 0.005 . 2 . . 865 . . 108 GLN HB3 . 51688 1 1111 . 1 . 1 108 108 GLN HG2 H 1 2.219 0.003 . 2 . . 862 . . 108 GLN HG2 . 51688 1 1112 . 1 . 1 108 108 GLN HG3 H 1 2.421 0.011 . 2 . . 863 . . 108 GLN HG3 . 51688 1 1113 . 1 . 1 108 108 GLN HE21 H 1 7.491 0.007 . 1 . . 1213 . . 108 GLN HE21 . 51688 1 1114 . 1 . 1 108 108 GLN HE22 H 1 6.801 0.006 . 1 . . 1214 . . 108 GLN HE22 . 51688 1 1115 . 1 . 1 108 108 GLN C C 13 176.124 0.025 . 1 . . 156 . . 108 GLN C . 51688 1 1116 . 1 . 1 108 108 GLN CA C 13 54.837 0.04 . 1 . . 157 . . 108 GLN CA . 51688 1 1117 . 1 . 1 108 108 GLN CB C 13 28.400 0.051 . 1 . . 158 . . 108 GLN CB . 51688 1 1118 . 1 . 1 108 108 GLN CG C 13 33.902 0.02 . 1 . . 861 . . 108 GLN CG . 51688 1 1119 . 1 . 1 108 108 GLN CD C 13 180.189 . . 1 . . 1212 . . 108 GLN CD . 51688 1 1120 . 1 . 1 108 108 GLN N N 15 117.563 0.029 . 1 . . 155 . . 108 GLN N . 51688 1 1121 . 1 . 1 108 108 GLN NE2 N 15 112.966 0.039 . 1 . . 1215 . . 108 GLN NE2 . 51688 1 1122 . 1 . 1 109 109 GLU H H 1 10.418 0.005 . 1 . . 149 . . 109 GLU H . 51688 1 1123 . 1 . 1 109 109 GLU HA H 1 3.665 0.005 . 1 . . 665 . . 109 GLU HA . 51688 1 1124 . 1 . 1 109 109 GLU HB2 H 1 1.318 0.009 . 2 . . 666 . . 109 GLU HB2 . 51688 1 1125 . 1 . 1 109 109 GLU HB3 H 1 1.985 0.01 . 2 . . 866 . . 109 GLU HB3 . 51688 1 1126 . 1 . 1 109 109 GLU HG2 H 1 2.450 0.004 . 2 . . 1167 . . 109 GLU HG2 . 51688 1 1127 . 1 . 1 109 109 GLU HG3 H 1 1.339 0.008 . 2 . . 1168 . . 109 GLU HG3 . 51688 1 1128 . 1 . 1 109 109 GLU C C 13 178.216 0.002 . 1 . . 153 . . 109 GLU C . 51688 1 1129 . 1 . 1 109 109 GLU CA C 13 63.359 0.024 . 1 . . 151 . . 109 GLU CA . 51688 1 1130 . 1 . 1 109 109 GLU CB C 13 29.010 0.049 . 1 . . 152 . . 109 GLU CB . 51688 1 1131 . 1 . 1 109 109 GLU CG C 13 36.315 0.035 . 1 . . 1169 . . 109 GLU CG . 51688 1 1132 . 1 . 1 109 109 GLU N N 15 122.247 0.023 . 1 . . 150 . . 109 GLU N . 51688 1 1133 . 1 . 1 110 110 GLN H H 1 8.547 0.007 . 1 . . 250 . . 110 GLN H . 51688 1 1134 . 1 . 1 110 110 GLN HA H 1 3.946 0.007 . 1 . . 583 . . 110 GLN HA . 51688 1 1135 . 1 . 1 110 110 GLN HB2 H 1 2.055 0.01 . 2 . . 869 . . 110 GLN HB2 . 51688 1 1136 . 1 . 1 110 110 GLN HB3 H 1 2.065 0.005 . 2 . . 870 . . 110 GLN HB3 . 51688 1 1137 . 1 . 1 110 110 GLN HG2 H 1 2.285 0.011 . 2 . . 868 . . 110 GLN HG2 . 51688 1 1138 . 1 . 1 110 110 GLN HG3 H 1 2.296 0.005 . 2 . . 871 . . 110 GLN HG3 . 51688 1 1139 . 1 . 1 110 110 GLN HE21 H 1 7.138 0.004 . 1 . . 1230 . . 110 GLN HE21 . 51688 1 1140 . 1 . 1 110 110 GLN HE22 H 1 6.290 0.005 . 1 . . 1231 . . 110 GLN HE22 . 51688 1 1141 . 1 . 1 110 110 GLN C C 13 178.122 0.0 . 1 . . 252 . . 110 GLN C . 51688 1 1142 . 1 . 1 110 110 GLN CA C 13 59.666 0.053 . 1 . . 253 . . 110 GLN CA . 51688 1 1143 . 1 . 1 110 110 GLN CB C 13 28.078 0.046 . 1 . . 254 . . 110 GLN CB . 51688 1 1144 . 1 . 1 110 110 GLN CG C 13 34.411 0.032 . 1 . . 867 . . 110 GLN CG . 51688 1 1145 . 1 . 1 110 110 GLN N N 15 116.255 0.047 . 1 . . 251 . . 110 GLN N . 51688 1 1146 . 1 . 1 110 110 GLN NE2 N 15 108.178 0.04 . 1 . . 1229 . . 110 GLN NE2 . 51688 1 1147 . 1 . 1 111 111 SER H H 1 7.990 0.006 . 1 . . 245 . . 111 SER H . 51688 1 1148 . 1 . 1 111 111 SER HA H 1 4.269 0.006 . 1 . . 667 . . 111 SER HA . 51688 1 1149 . 1 . 1 111 111 SER HB2 H 1 4.040 0.007 . 2 . . 668 . . 111 SER HB2 . 51688 1 1150 . 1 . 1 111 111 SER HB3 H 1 4.002 0.007 . 2 . . 744 . . 111 SER HB3 . 51688 1 1151 . 1 . 1 111 111 SER C C 13 177.837 0.048 . 1 . . 247 . . 111 SER C . 51688 1 1152 . 1 . 1 111 111 SER CA C 13 61.307 0.067 . 1 . . 248 . . 111 SER CA . 51688 1 1153 . 1 . 1 111 111 SER CB C 13 62.844 0.021 . 1 . . 249 . . 111 SER CB . 51688 1 1154 . 1 . 1 111 111 SER N N 15 116.497 0.045 . 1 . . 246 . . 111 SER N . 51688 1 1155 . 1 . 1 112 112 ILE H H 1 8.860 0.01 . 1 . . 255 . . 112 ILE H . 51688 1 1156 . 1 . 1 112 112 ILE HA H 1 3.667 0.006 . 1 . . 872 . . 112 ILE HA . 51688 1 1157 . 1 . 1 112 112 ILE HB H 1 1.984 0.008 . 1 . . 873 . . 112 ILE HB . 51688 1 1158 . 1 . 1 112 112 ILE HG12 H 1 1.152 0.009 . 1 . . 912 . . 112 ILE HG12 . 51688 1 1159 . 1 . 1 112 112 ILE HG21 H 1 0.910 0.011 . 1 . . 915 . . 112 ILE HG21 . 51688 1 1160 . 1 . 1 112 112 ILE HG22 H 1 0.910 0.011 . 1 . . 915 . . 112 ILE HG22 . 51688 1 1161 . 1 . 1 112 112 ILE HG23 H 1 0.910 0.011 . 1 . . 915 . . 112 ILE HG23 . 51688 1 1162 . 1 . 1 112 112 ILE HD11 H 1 1.003 0.006 . 1 . . 914 . . 112 ILE HD11 . 51688 1 1163 . 1 . 1 112 112 ILE HD12 H 1 1.003 0.006 . 1 . . 914 . . 112 ILE HD12 . 51688 1 1164 . 1 . 1 112 112 ILE HD13 H 1 1.003 0.006 . 1 . . 914 . . 112 ILE HD13 . 51688 1 1165 . 1 . 1 112 112 ILE C C 13 177.515 0.03 . 1 . . 257 . . 112 ILE C . 51688 1 1166 . 1 . 1 112 112 ILE CA C 13 65.669 0.06 . 1 . . 258 . . 112 ILE CA . 51688 1 1167 . 1 . 1 112 112 ILE CB C 13 37.966 0.016 . 1 . . 259 . . 112 ILE CB . 51688 1 1168 . 1 . 1 112 112 ILE CG1 C 13 29.500 0.015 . 1 . . 911 . . 112 ILE CG1 . 51688 1 1169 . 1 . 1 112 112 ILE CG2 C 13 18.323 0.052 . 1 . . 1132 . . 112 ILE CG2 . 51688 1 1170 . 1 . 1 112 112 ILE CD1 C 13 14.477 0.034 . 1 . . 913 . . 112 ILE CD1 . 51688 1 1171 . 1 . 1 112 112 ILE N N 15 122.273 0.021 . 1 . . 256 . . 112 ILE N . 51688 1 1172 . 1 . 1 113 113 ALA H H 1 7.997 0.005 . 1 . . 260 . . 113 ALA H . 51688 1 1173 . 1 . 1 113 113 ALA HA H 1 3.800 0.007 . 1 . . 669 . . 113 ALA HA . 51688 1 1174 . 1 . 1 113 113 ALA HB1 H 1 1.542 0.009 . 1 . . 584 . . 113 ALA HB1 . 51688 1 1175 . 1 . 1 113 113 ALA HB2 H 1 1.542 0.009 . 1 . . 584 . . 113 ALA HB2 . 51688 1 1176 . 1 . 1 113 113 ALA HB3 H 1 1.542 0.009 . 1 . . 584 . . 113 ALA HB3 . 51688 1 1177 . 1 . 1 113 113 ALA C C 13 178.996 0.006 . 1 . . 262 . . 113 ALA C . 51688 1 1178 . 1 . 1 113 113 ALA CA C 13 56.007 0.046 . 1 . . 263 . . 113 ALA CA . 51688 1 1179 . 1 . 1 113 113 ALA CB C 13 18.425 0.021 . 1 . . 264 . . 113 ALA CB . 51688 1 1180 . 1 . 1 113 113 ALA N N 15 120.962 0.036 . 1 . . 261 . . 113 ALA N . 51688 1 1181 . 1 . 1 114 114 GLN H H 1 8.031 0.006 . 1 . . 265 . . 114 GLN H . 51688 1 1182 . 1 . 1 114 114 GLN HA H 1 4.074 0.008 . 1 . . 585 . . 114 GLN HA . 51688 1 1183 . 1 . 1 114 114 GLN HB2 H 1 2.218 0.003 . 2 . . 910 . . 114 GLN HB2 . 51688 1 1184 . 1 . 1 114 114 GLN HB3 H 1 2.194 0.0 . 2 . . 1125 . . 114 GLN HB3 . 51688 1 1185 . 1 . 1 114 114 GLN HG2 H 1 2.563 0.002 . 2 . . 1251 . . 114 GLN HG2 . 51688 1 1186 . 1 . 1 114 114 GLN HG3 H 1 2.475 0.009 . 2 . . 1252 . . 114 GLN HG3 . 51688 1 1187 . 1 . 1 114 114 GLN C C 13 179.100 0.016 . 1 . . 274 . . 114 GLN C . 51688 1 1188 . 1 . 1 114 114 GLN CA C 13 59.205 0.026 . 1 . . 267 . . 114 GLN CA . 51688 1 1189 . 1 . 1 114 114 GLN CB C 13 28.491 0.032 . 1 . . 268 . . 114 GLN CB . 51688 1 1190 . 1 . 1 114 114 GLN CG C 13 33.914 0.009 . 1 . . 1250 . . 114 GLN CG . 51688 1 1191 . 1 . 1 114 114 GLN N N 15 116.532 0.038 . 1 . . 266 . . 114 GLN N . 51688 1 1192 . 1 . 1 115 115 ARG H H 1 8.245 0.009 . 1 . . 269 . . 115 ARG H . 51688 1 1193 . 1 . 1 115 115 ARG HA H 1 4.114 0.006 . 1 . . 586 . . 115 ARG HA . 51688 1 1194 . 1 . 1 115 115 ARG HB2 H 1 1.996 0.012 . 2 . . 670 . . 115 ARG HB2 . 51688 1 1195 . 1 . 1 115 115 ARG HB3 H 1 1.887 0.006 . 2 . . 731 . . 115 ARG HB3 . 51688 1 1196 . 1 . 1 115 115 ARG HG2 H 1 1.712 0.002 . 2 . . 909 . . 115 ARG HG2 . 51688 1 1197 . 1 . 1 115 115 ARG HG3 H 1 1.870 0.003 . 2 . . 1289 . . 115 ARG HG3 . 51688 1 1198 . 1 . 1 115 115 ARG HD2 H 1 3.190 0.013 . 2 . . 732 . . 115 ARG HD2 . 51688 1 1199 . 1 . 1 115 115 ARG HD3 H 1 3.188 0.014 . 2 . . 1142 . . 115 ARG HD3 . 51688 1 1200 . 1 . 1 115 115 ARG C C 13 179.845 0.026 . 1 . . 271 . . 115 ARG C . 51688 1 1201 . 1 . 1 115 115 ARG CA C 13 59.632 0.045 . 1 . . 272 . . 115 ARG CA . 51688 1 1202 . 1 . 1 115 115 ARG CB C 13 30.953 0.021 . 1 . . 273 . . 115 ARG CB . 51688 1 1203 . 1 . 1 115 115 ARG CG C 13 27.542 0.032 . 1 . . 908 . . 115 ARG CG . 51688 1 1204 . 1 . 1 115 115 ARG CD C 13 44.199 0.009 . 1 . . 733 . . 115 ARG CD . 51688 1 1205 . 1 . 1 115 115 ARG N N 15 120.965 0.055 . 1 . . 270 . . 115 ARG N . 51688 1 1206 . 1 . 1 116 116 VAL H H 1 8.826 0.007 . 1 . . 275 . . 116 VAL H . 51688 1 1207 . 1 . 1 116 116 VAL HA H 1 3.783 0.007 . 1 . . 587 . . 116 VAL HA . 51688 1 1208 . 1 . 1 116 116 VAL HB H 1 2.137 0.009 . 1 . . 588 . . 116 VAL HB . 51688 1 1209 . 1 . 1 116 116 VAL HG11 H 1 1.062 0.009 . 2 . . 693 . . 116 VAL HG11 . 51688 1 1210 . 1 . 1 116 116 VAL HG12 H 1 1.062 0.009 . 2 . . 693 . . 116 VAL HG12 . 51688 1 1211 . 1 . 1 116 116 VAL HG13 H 1 1.062 0.009 . 2 . . 693 . . 116 VAL HG13 . 51688 1 1212 . 1 . 1 116 116 VAL HG21 H 1 0.978 0.011 . 2 . . 694 . . 116 VAL HG21 . 51688 1 1213 . 1 . 1 116 116 VAL HG22 H 1 0.978 0.011 . 2 . . 694 . . 116 VAL HG22 . 51688 1 1214 . 1 . 1 116 116 VAL HG23 H 1 0.978 0.011 . 2 . . 694 . . 116 VAL HG23 . 51688 1 1215 . 1 . 1 116 116 VAL C C 13 177.571 0.025 . 1 . . 277 . . 116 VAL C . 51688 1 1216 . 1 . 1 116 116 VAL CA C 13 66.237 0.043 . 1 . . 278 . . 116 VAL CA . 51688 1 1217 . 1 . 1 116 116 VAL CB C 13 31.400 0.069 . 1 . . 279 . . 116 VAL CB . 51688 1 1218 . 1 . 1 116 116 VAL CG1 C 13 24.165 0.072 . 2 . . 717 . . 116 VAL CG1 . 51688 1 1219 . 1 . 1 116 116 VAL CG2 C 13 23.582 0.021 . 2 . . 718 . . 116 VAL CG2 . 51688 1 1220 . 1 . 1 116 116 VAL N N 15 119.292 0.044 . 1 . . 276 . . 116 VAL N . 51688 1 1221 . 1 . 1 117 117 ASN H H 1 8.751 0.006 . 1 . . 280 . . 117 ASN H . 51688 1 1222 . 1 . 1 117 117 ASN HA H 1 4.176 0.008 . 1 . . 589 . . 117 ASN HA . 51688 1 1223 . 1 . 1 117 117 ASN HB2 H 1 2.874 0.005 . 2 . . 906 . . 117 ASN HB2 . 51688 1 1224 . 1 . 1 117 117 ASN HB3 H 1 2.713 0.004 . 2 . . 907 . . 117 ASN HB3 . 51688 1 1225 . 1 . 1 117 117 ASN HD21 H 1 7.410 0.006 . 1 . . 1157 . . 117 ASN HD21 . 51688 1 1226 . 1 . 1 117 117 ASN HD22 H 1 6.403 0.005 . 1 . . 1158 . . 117 ASN HD22 . 51688 1 1227 . 1 . 1 117 117 ASN C C 13 177.981 0.015 . 1 . . 282 . . 117 ASN C . 51688 1 1228 . 1 . 1 117 117 ASN CA C 13 58.369 0.064 . 1 . . 283 . . 117 ASN CA . 51688 1 1229 . 1 . 1 117 117 ASN CB C 13 39.868 0.044 . 1 . . 284 . . 117 ASN CB . 51688 1 1230 . 1 . 1 117 117 ASN CG C 13 174.106 . . 1 . . 1242 . . 117 ASN CG . 51688 1 1231 . 1 . 1 117 117 ASN N N 15 120.331 0.034 . 1 . . 281 . . 117 ASN N . 51688 1 1232 . 1 . 1 117 117 ASN ND2 N 15 110.682 0.03 . 1 . . 1156 . . 117 ASN ND2 . 51688 1 1233 . 1 . 1 118 118 SER H H 1 8.033 0.01 . 1 . . 285 . . 118 SER H . 51688 1 1234 . 1 . 1 118 118 SER HA H 1 4.215 0.012 . 1 . . 975 . . 118 SER HA . 51688 1 1235 . 1 . 1 118 118 SER HB2 H 1 4.041 0.009 . 2 . . 974 . . 118 SER HB2 . 51688 1 1236 . 1 . 1 118 118 SER HB3 H 1 4.036 0.009 . 2 . . 976 . . 118 SER HB3 . 51688 1 1237 . 1 . 1 118 118 SER C C 13 176.537 0.012 . 1 . . 287 . . 118 SER C . 51688 1 1238 . 1 . 1 118 118 SER CA C 13 61.959 0.064 . 1 . . 288 . . 118 SER CA . 51688 1 1239 . 1 . 1 118 118 SER CB C 13 62.864 0.041 . 1 . . 289 . . 118 SER CB . 51688 1 1240 . 1 . 1 118 118 SER N N 15 114.352 0.033 . 1 . . 286 . . 118 SER N . 51688 1 1241 . 1 . 1 119 119 ALA H H 1 7.803 0.004 . 1 . . 375 . . 119 ALA H . 51688 1 1242 . 1 . 1 119 119 ALA HA H 1 4.251 0.005 . 1 . . 938 . . 119 ALA HA . 51688 1 1243 . 1 . 1 119 119 ALA HB1 H 1 1.571 0.004 . 1 . . 937 . . 119 ALA HB1 . 51688 1 1244 . 1 . 1 119 119 ALA HB2 H 1 1.571 0.004 . 1 . . 937 . . 119 ALA HB2 . 51688 1 1245 . 1 . 1 119 119 ALA HB3 H 1 1.571 0.004 . 1 . . 937 . . 119 ALA HB3 . 51688 1 1246 . 1 . 1 119 119 ALA C C 13 180.685 0.001 . 1 . . 377 . . 119 ALA C . 51688 1 1247 . 1 . 1 119 119 ALA CA C 13 55.189 0.039 . 1 . . 497 . . 119 ALA CA . 51688 1 1248 . 1 . 1 119 119 ALA CB C 13 18.905 0.031 . 1 . . 498 . . 119 ALA CB . 51688 1 1249 . 1 . 1 119 119 ALA N N 15 124.266 0.044 . 1 . . 376 . . 119 ALA N . 51688 1 1250 . 1 . 1 120 120 ILE H H 1 8.975 0.006 . 1 . . 442 . . 120 ILE H . 51688 1 1251 . 1 . 1 120 120 ILE HA H 1 3.386 0.006 . 1 . . 726 . . 120 ILE HA . 51688 1 1252 . 1 . 1 120 120 ILE HB H 1 1.961 0.013 . 1 . . 727 . . 120 ILE HB . 51688 1 1253 . 1 . 1 120 120 ILE HG12 H 1 1.327 0.009 . 2 . . 904 . . 120 ILE HG12 . 51688 1 1254 . 1 . 1 120 120 ILE HG13 H 1 1.564 0.008 . 2 . . 905 . . 120 ILE HG13 . 51688 1 1255 . 1 . 1 120 120 ILE HG21 H 1 0.872 0.009 . 1 . . 729 . . 120 ILE HG21 . 51688 1 1256 . 1 . 1 120 120 ILE HG22 H 1 0.872 0.009 . 1 . . 729 . . 120 ILE HG22 . 51688 1 1257 . 1 . 1 120 120 ILE HG23 H 1 0.872 0.009 . 1 . . 729 . . 120 ILE HG23 . 51688 1 1258 . 1 . 1 120 120 ILE HD11 H 1 0.762 0.009 . 1 . . 728 . . 120 ILE HD11 . 51688 1 1259 . 1 . 1 120 120 ILE HD12 H 1 0.762 0.009 . 1 . . 728 . . 120 ILE HD12 . 51688 1 1260 . 1 . 1 120 120 ILE HD13 H 1 0.762 0.009 . 1 . . 728 . . 120 ILE HD13 . 51688 1 1261 . 1 . 1 120 120 ILE C C 13 177.344 0.024 . 1 . . 444 . . 120 ILE C . 51688 1 1262 . 1 . 1 120 120 ILE CA C 13 66.514 0.043 . 1 . . 445 . . 120 ILE CA . 51688 1 1263 . 1 . 1 120 120 ILE CB C 13 38.077 0.018 . 1 . . 446 . . 120 ILE CB . 51688 1 1264 . 1 . 1 120 120 ILE CG1 C 13 27.084 0.074 . 1 . . 903 . . 120 ILE CG1 . 51688 1 1265 . 1 . 1 120 120 ILE CG2 C 13 17.979 0.031 . 1 . . 730 . . 120 ILE CG2 . 51688 1 1266 . 1 . 1 120 120 ILE CD1 C 13 15.005 0.012 . 1 . . 1122 . . 120 ILE CD1 . 51688 1 1267 . 1 . 1 120 120 ILE N N 15 119.950 0.026 . 1 . . 443 . . 120 ILE N . 51688 1 1268 . 1 . 1 121 121 SER H H 1 8.502 0.009 . 1 . . 447 . . 121 SER H . 51688 1 1269 . 1 . 1 121 121 SER HA H 1 4.160 0.009 . 1 . . 671 . . 121 SER HA . 51688 1 1270 . 1 . 1 121 121 SER HB2 H 1 4.065 0.01 . 2 . . 672 . . 121 SER HB2 . 51688 1 1271 . 1 . 1 121 121 SER HB3 H 1 4.059 0.012 . 2 . . 742 . . 121 SER HB3 . 51688 1 1272 . 1 . 1 121 121 SER C C 13 177.680 . . 1 . . 449 . . 121 SER C . 51688 1 1273 . 1 . 1 121 121 SER CA C 13 62.637 0.04 . 1 . . 450 . . 121 SER CA . 51688 1 1274 . 1 . 1 121 121 SER N N 15 115.254 0.045 . 1 . . 448 . . 121 SER N . 51688 1 1275 . 1 . 1 122 122 SER H H 1 8.107 0.008 . 1 . . 451 . . 122 SER H . 51688 1 1276 . 1 . 1 122 122 SER HA H 1 4.294 0.01 . 1 . . 673 . . 122 SER HA . 51688 1 1277 . 1 . 1 122 122 SER HB2 H 1 3.988 0.009 . 2 . . 674 . . 122 SER HB2 . 51688 1 1278 . 1 . 1 122 122 SER HB3 H 1 3.984 0.01 . 2 . . 743 . . 122 SER HB3 . 51688 1 1279 . 1 . 1 122 122 SER C C 13 176.582 0.004 . 1 . . 501 . . 122 SER C . 51688 1 1280 . 1 . 1 122 122 SER CA C 13 61.723 0.09 . 1 . . 453 . . 122 SER CA . 51688 1 1281 . 1 . 1 122 122 SER CB C 13 62.875 0.056 . 1 . . 454 . . 122 SER CB . 51688 1 1282 . 1 . 1 122 122 SER N N 15 116.249 0.048 . 1 . . 452 . . 122 SER N . 51688 1 1283 . 1 . 1 123 123 ALA H H 1 8.091 0.01 . 1 . . 427 . . 123 ALA H . 51688 1 1284 . 1 . 1 123 123 ALA HA H 1 4.195 0.006 . 1 . . 942 . . 123 ALA HA . 51688 1 1285 . 1 . 1 123 123 ALA HB1 H 1 1.378 0.011 . 1 . . 941 . . 123 ALA HB1 . 51688 1 1286 . 1 . 1 123 123 ALA HB2 H 1 1.378 0.011 . 1 . . 941 . . 123 ALA HB2 . 51688 1 1287 . 1 . 1 123 123 ALA HB3 H 1 1.378 0.011 . 1 . . 941 . . 123 ALA HB3 . 51688 1 1288 . 1 . 1 123 123 ALA C C 13 181.251 0.033 . 1 . . 431 . . 123 ALA C . 51688 1 1289 . 1 . 1 123 123 ALA CA C 13 55.153 0.052 . 1 . . 429 . . 123 ALA CA . 51688 1 1290 . 1 . 1 123 123 ALA CB C 13 18.733 0.059 . 1 . . 430 . . 123 ALA CB . 51688 1 1291 . 1 . 1 123 123 ALA N N 15 124.687 0.035 . 1 . . 428 . . 123 ALA N . 51688 1 1292 . 1 . 1 124 124 PHE H H 1 8.626 0.007 . 1 . . 417 . . 124 PHE H . 51688 1 1293 . 1 . 1 124 124 PHE HA H 1 4.207 0.007 . 1 . . 900 . . 124 PHE HA . 51688 1 1294 . 1 . 1 124 124 PHE HB2 H 1 3.089 0.005 . 2 . . 901 . . 124 PHE HB2 . 51688 1 1295 . 1 . 1 124 124 PHE HB3 H 1 2.929 0.004 . 2 . . 902 . . 124 PHE HB3 . 51688 1 1296 . 1 . 1 124 124 PHE HD1 H 1 7.196 0.01 . 1 . . 1178 . . 124 PHE HD1 . 51688 1 1297 . 1 . 1 124 124 PHE HD2 H 1 7.196 0.01 . 1 . . 1178 . . 124 PHE HD2 . 51688 1 1298 . 1 . 1 124 124 PHE HE1 H 1 6.924 0.013 . 1 . . 1290 . . 124 PHE HE1 . 51688 1 1299 . 1 . 1 124 124 PHE HE2 H 1 6.924 0.013 . 1 . . 1290 . . 124 PHE HE2 . 51688 1 1300 . 1 . 1 124 124 PHE HZ H 1 6.967 0.017 . 1 . . 1292 . . 124 PHE HZ . 51688 1 1301 . 1 . 1 124 124 PHE C C 13 177.618 0.015 . 1 . . 419 . . 124 PHE C . 51688 1 1302 . 1 . 1 124 124 PHE CA C 13 62.372 0.006 . 1 . . 420 . . 124 PHE CA . 51688 1 1303 . 1 . 1 124 124 PHE CB C 13 38.807 0.042 . 1 . . 421 . . 124 PHE CB . 51688 1 1304 . 1 . 1 124 124 PHE CD1 C 13 131.657 . . 1 . . 1179 . . 124 PHE CD1 . 51688 1 1305 . 1 . 1 124 124 PHE CD2 C 13 131.657 . . 1 . . 1179 . . 124 PHE CD2 . 51688 1 1306 . 1 . 1 124 124 PHE CE1 C 13 130.225 . . 1 . . 1291 . . 124 PHE CE1 . 51688 1 1307 . 1 . 1 124 124 PHE CE2 C 13 130.225 . . 1 . . 1291 . . 124 PHE CE2 . 51688 1 1308 . 1 . 1 124 124 PHE CZ C 13 128.377 . . 1 . . 1293 . . 124 PHE CZ . 51688 1 1309 . 1 . 1 124 124 PHE N N 15 117.122 0.034 . 1 . . 418 . . 124 PHE N . 51688 1 1310 . 1 . 1 125 125 ALA H H 1 8.014 0.006 . 1 . . 422 . . 125 ALA H . 51688 1 1311 . 1 . 1 125 125 ALA HA H 1 4.141 0.007 . 1 . . 1023 . . 125 ALA HA . 51688 1 1312 . 1 . 1 125 125 ALA HB1 H 1 1.591 0.006 . 1 . . 1022 . . 125 ALA HB1 . 51688 1 1313 . 1 . 1 125 125 ALA HB2 H 1 1.591 0.006 . 1 . . 1022 . . 125 ALA HB2 . 51688 1 1314 . 1 . 1 125 125 ALA HB3 H 1 1.591 0.006 . 1 . . 1022 . . 125 ALA HB3 . 51688 1 1315 . 1 . 1 125 125 ALA C C 13 180.707 0.0 . 1 . . 424 . . 125 ALA C . 51688 1 1316 . 1 . 1 125 125 ALA CA C 13 55.647 0.057 . 1 . . 425 . . 125 ALA CA . 51688 1 1317 . 1 . 1 125 125 ALA CB C 13 17.845 0.052 . 1 . . 426 . . 125 ALA CB . 51688 1 1318 . 1 . 1 125 125 ALA N N 15 121.857 0.04 . 1 . . 423 . . 125 ALA N . 51688 1 1319 . 1 . 1 126 126 GLN H H 1 7.722 0.012 . 1 . . 432 . . 126 GLN H . 51688 1 1320 . 1 . 1 126 126 GLN HA H 1 4.086 0.007 . 1 . . 590 . . 126 GLN HA . 51688 1 1321 . 1 . 1 126 126 GLN HB2 H 1 2.131 0.005 . 2 . . 898 . . 126 GLN HB2 . 51688 1 1322 . 1 . 1 126 126 GLN HB3 H 1 2.148 0.012 . 2 . . 899 . . 126 GLN HB3 . 51688 1 1323 . 1 . 1 126 126 GLN HG2 H 1 2.496 0.006 . 2 . . 1220 . . 126 GLN HG2 . 51688 1 1324 . 1 . 1 126 126 GLN HG3 H 1 2.364 0.007 . 2 . . 1221 . . 126 GLN HG3 . 51688 1 1325 . 1 . 1 126 126 GLN C C 13 177.903 0.008 . 1 . . 434 . . 126 GLN C . 51688 1 1326 . 1 . 1 126 126 GLN CA C 13 58.640 0.039 . 1 . . 435 . . 126 GLN CA . 51688 1 1327 . 1 . 1 126 126 GLN CB C 13 28.566 0.024 . 1 . . 436 . . 126 GLN CB . 51688 1 1328 . 1 . 1 126 126 GLN CG C 13 34.131 0.017 . 1 . . 1222 . . 126 GLN CG . 51688 1 1329 . 1 . 1 126 126 GLN N N 15 117.286 0.051 . 1 . . 433 . . 126 GLN N . 51688 1 1330 . 1 . 1 127 127 LEU H H 1 7.660 0.005 . 1 . . 437 . . 127 LEU H . 51688 1 1331 . 1 . 1 127 127 LEU HA H 1 4.116 0.009 . 1 . . 591 . . 127 LEU HA . 51688 1 1332 . 1 . 1 127 127 LEU HB2 H 1 1.841 0.005 . 2 . . 892 . . 127 LEU HB2 . 51688 1 1333 . 1 . 1 127 127 LEU HB3 H 1 1.649 0.01 . 2 . . 893 . . 127 LEU HB3 . 51688 1 1334 . 1 . 1 127 127 LEU HG H 1 1.507 0.007 . 1 . . 895 . . 127 LEU HG . 51688 1 1335 . 1 . 1 127 127 LEU HD11 H 1 0.828 0.007 . 2 . . 675 . . 127 LEU HD11 . 51688 1 1336 . 1 . 1 127 127 LEU HD12 H 1 0.828 0.007 . 2 . . 675 . . 127 LEU HD12 . 51688 1 1337 . 1 . 1 127 127 LEU HD13 H 1 0.828 0.007 . 2 . . 675 . . 127 LEU HD13 . 51688 1 1338 . 1 . 1 127 127 LEU HD21 H 1 0.823 0.007 . 2 . . 897 . . 127 LEU HD21 . 51688 1 1339 . 1 . 1 127 127 LEU HD22 H 1 0.823 0.007 . 2 . . 897 . . 127 LEU HD22 . 51688 1 1340 . 1 . 1 127 127 LEU HD23 H 1 0.823 0.007 . 2 . . 897 . . 127 LEU HD23 . 51688 1 1341 . 1 . 1 127 127 LEU C C 13 178.726 0.031 . 1 . . 441 . . 127 LEU C . 51688 1 1342 . 1 . 1 127 127 LEU CA C 13 58.090 0.071 . 1 . . 440 . . 127 LEU CA . 51688 1 1343 . 1 . 1 127 127 LEU CB C 13 42.650 0.035 . 1 . . 439 . . 127 LEU CB . 51688 1 1344 . 1 . 1 127 127 LEU CG C 13 27.103 0.037 . 1 . . 894 . . 127 LEU CG . 51688 1 1345 . 1 . 1 127 127 LEU CD1 C 13 23.771 0.073 . 2 . . 1273 . . 127 LEU CD1 . 51688 1 1346 . 1 . 1 127 127 LEU CD2 C 13 25.858 0.083 . 2 . . 896 . . 127 LEU CD2 . 51688 1 1347 . 1 . 1 127 127 LEU N N 15 121.062 0.022 . 1 . . 438 . . 127 LEU N . 51688 1 1348 . 1 . 1 128 128 ILE H H 1 8.293 0.008 . 1 . . 520 . . 128 ILE H . 51688 1 1349 . 1 . 1 128 128 ILE HA H 1 3.622 0.009 . 1 . . 880 . . 128 ILE HA . 51688 1 1350 . 1 . 1 128 128 ILE HB H 1 1.851 0.005 . 1 . . 881 . . 128 ILE HB . 51688 1 1351 . 1 . 1 128 128 ILE HG12 H 1 1.050 0.007 . 2 . . 884 . . 128 ILE HG12 . 51688 1 1352 . 1 . 1 128 128 ILE HG13 H 1 1.481 0.006 . 2 . . 887 . . 128 ILE HG13 . 51688 1 1353 . 1 . 1 128 128 ILE HG21 H 1 0.693 0.008 . 1 . . 883 . . 128 ILE HG21 . 51688 1 1354 . 1 . 1 128 128 ILE HG22 H 1 0.693 0.008 . 1 . . 883 . . 128 ILE HG22 . 51688 1 1355 . 1 . 1 128 128 ILE HG23 H 1 0.693 0.008 . 1 . . 883 . . 128 ILE HG23 . 51688 1 1356 . 1 . 1 128 128 ILE HD11 H 1 0.610 0.009 . 1 . . 886 . . 128 ILE HD11 . 51688 1 1357 . 1 . 1 128 128 ILE HD12 H 1 0.610 0.009 . 1 . . 886 . . 128 ILE HD12 . 51688 1 1358 . 1 . 1 128 128 ILE HD13 H 1 0.610 0.009 . 1 . . 886 . . 128 ILE HD13 . 51688 1 1359 . 1 . 1 128 128 ILE C C 13 178.656 0.037 . 1 . . 522 . . 128 ILE C . 51688 1 1360 . 1 . 1 128 128 ILE CA C 13 64.017 0.039 . 1 . . 540 . . 128 ILE CA . 51688 1 1361 . 1 . 1 128 128 ILE CB C 13 37.628 0.059 . 1 . . 523 . . 128 ILE CB . 51688 1 1362 . 1 . 1 128 128 ILE CG1 C 13 29.036 0.024 . 1 . . 888 . . 128 ILE CG1 . 51688 1 1363 . 1 . 1 128 128 ILE CG2 C 13 17.548 0.068 . 1 . . 882 . . 128 ILE CG2 . 51688 1 1364 . 1 . 1 128 128 ILE CD1 C 13 12.852 0.047 . 1 . . 885 . . 128 ILE CD1 . 51688 1 1365 . 1 . 1 128 128 ILE N N 15 116.767 0.022 . 1 . . 521 . . 128 ILE N . 51688 1 1366 . 1 . 1 129 129 SER H H 1 7.861 0.009 . 1 . . 402 . . 129 SER H . 51688 1 1367 . 1 . 1 129 129 SER HA H 1 4.234 0.007 . 1 . . 676 . . 129 SER HA . 51688 1 1368 . 1 . 1 129 129 SER HB2 H 1 3.990 0.005 . 2 . . 677 . . 129 SER HB2 . 51688 1 1369 . 1 . 1 129 129 SER HB3 H 1 3.993 0.011 . 2 . . 879 . . 129 SER HB3 . 51688 1 1370 . 1 . 1 129 129 SER C C 13 175.755 0.005 . 1 . . 404 . . 129 SER C . 51688 1 1371 . 1 . 1 129 129 SER CA C 13 61.126 0.036 . 1 . . 406 . . 129 SER CA . 51688 1 1372 . 1 . 1 129 129 SER CB C 13 63.185 0.107 . 1 . . 405 . . 129 SER CB . 51688 1 1373 . 1 . 1 129 129 SER N N 15 116.321 0.047 . 1 . . 403 . . 129 SER N . 51688 1 1374 . 1 . 1 130 130 GLN H H 1 7.793 0.007 . 1 . . 383 . . 130 GLN H . 51688 1 1375 . 1 . 1 130 130 GLN HA H 1 4.251 0.008 . 1 . . 592 . . 130 GLN HA . 51688 1 1376 . 1 . 1 130 130 GLN HB2 H 1 2.181 0.006 . 2 . . 889 . . 130 GLN HB2 . 51688 1 1377 . 1 . 1 130 130 GLN HB3 H 1 2.180 0.006 . 2 . . 1126 . . 130 GLN HB3 . 51688 1 1378 . 1 . 1 130 130 GLN HG2 H 1 2.416 0.008 . 2 . . 890 . . 130 GLN HG2 . 51688 1 1379 . 1 . 1 130 130 GLN HG3 H 1 2.530 0.015 . 2 . . 1047 . . 130 GLN HG3 . 51688 1 1380 . 1 . 1 130 130 GLN C C 13 177.263 0.026 . 1 . . 385 . . 130 GLN C . 51688 1 1381 . 1 . 1 130 130 GLN CA C 13 57.400 0.024 . 1 . . 386 . . 130 GLN CA . 51688 1 1382 . 1 . 1 130 130 GLN CB C 13 28.967 0.016 . 1 . . 387 . . 130 GLN CB . 51688 1 1383 . 1 . 1 130 130 GLN CG C 13 34.137 0.018 . 1 . . 891 . . 130 GLN CG . 51688 1 1384 . 1 . 1 130 130 GLN N N 15 119.378 0.049 . 1 . . 384 . . 130 GLN N . 51688 1 1385 . 1 . 1 131 131 ARG H H 1 7.852 0.007 . 1 . . 388 . . 131 ARG H . 51688 1 1386 . 1 . 1 131 131 ARG HA H 1 4.383 0.007 . 1 . . 678 . . 131 ARG HA . 51688 1 1387 . 1 . 1 131 131 ARG HB2 H 1 1.823 0.011 . 2 . . 877 . . 131 ARG HB2 . 51688 1 1388 . 1 . 1 131 131 ARG HB3 H 1 1.957 0.004 . 2 . . 1128 . . 131 ARG HB3 . 51688 1 1389 . 1 . 1 131 131 ARG HG2 H 1 1.688 0.013 . 2 . . 679 . . 131 ARG HG2 . 51688 1 1390 . 1 . 1 131 131 ARG HG3 H 1 1.675 0.006 . 2 . . 878 . . 131 ARG HG3 . 51688 1 1391 . 1 . 1 131 131 ARG HD2 H 1 3.156 0.007 . 1 . . 874 . . 131 ARG HD2 . 51688 1 1392 . 1 . 1 131 131 ARG C C 13 176.652 0.004 . 1 . . 390 . . 131 ARG C . 51688 1 1393 . 1 . 1 131 131 ARG CA C 13 56.268 0.042 . 1 . . 391 . . 131 ARG CA . 51688 1 1394 . 1 . 1 131 131 ARG CB C 13 30.723 0.026 . 1 . . 392 . . 131 ARG CB . 51688 1 1395 . 1 . 1 131 131 ARG CG C 13 27.282 0.04 . 1 . . 876 . . 131 ARG CG . 51688 1 1396 . 1 . 1 131 131 ARG CD C 13 43.012 0.031 . 1 . . 875 . . 131 ARG CD . 51688 1 1397 . 1 . 1 131 131 ARG N N 15 118.207 0.016 . 1 . . 389 . . 131 ARG N . 51688 1 1398 . 1 . 1 132 132 THR H H 1 7.782 0.004 . 1 . . 393 . . 132 THR H . 51688 1 1399 . 1 . 1 132 132 THR HA H 1 4.374 0.005 . 1 . . 680 . . 132 THR HA . 51688 1 1400 . 1 . 1 132 132 THR HB H 1 4.253 0.007 . 1 . . 681 . . 132 THR HB . 51688 1 1401 . 1 . 1 132 132 THR HG21 H 1 1.187 0.004 . 1 . . 682 . . 132 THR HG21 . 51688 1 1402 . 1 . 1 132 132 THR HG22 H 1 1.187 0.004 . 1 . . 682 . . 132 THR HG22 . 51688 1 1403 . 1 . 1 132 132 THR HG23 H 1 1.187 0.004 . 1 . . 682 . . 132 THR HG23 . 51688 1 1404 . 1 . 1 132 132 THR C C 13 173.796 0.018 . 1 . . 395 . . 132 THR C . 51688 1 1405 . 1 . 1 132 132 THR CA C 13 61.922 0.023 . 1 . . 396 . . 132 THR CA . 51688 1 1406 . 1 . 1 132 132 THR CB C 13 70.176 0.027 . 1 . . 397 . . 132 THR CB . 51688 1 1407 . 1 . 1 132 132 THR CG2 C 13 21.599 0.012 . 1 . . 741 . . 132 THR CG2 . 51688 1 1408 . 1 . 1 132 132 THR N N 15 112.458 0.036 . 1 . . 394 . . 132 THR N . 51688 1 1409 . 1 . 1 133 133 ALA H H 1 7.946 0.007 . 1 . . 398 . . 133 ALA H . 51688 1 1410 . 1 . 1 133 133 ALA HA H 1 4.607 0.007 . 1 . . 944 . . 133 ALA HA . 51688 1 1411 . 1 . 1 133 133 ALA HB1 H 1 1.378 0.002 . 1 . . 943 . . 133 ALA HB1 . 51688 1 1412 . 1 . 1 133 133 ALA HB2 H 1 1.378 0.002 . 1 . . 943 . . 133 ALA HB2 . 51688 1 1413 . 1 . 1 133 133 ALA HB3 H 1 1.378 0.002 . 1 . . 943 . . 133 ALA HB3 . 51688 1 1414 . 1 . 1 133 133 ALA C C 13 175.213 0.013 . 1 . . 400 . . 133 ALA C . 51688 1 1415 . 1 . 1 133 133 ALA CA C 13 50.660 0.057 . 1 . . 945 . . 133 ALA CA . 51688 1 1416 . 1 . 1 133 133 ALA CB C 13 18.415 0.092 . 1 . . 401 . . 133 ALA CB . 51688 1 1417 . 1 . 1 133 133 ALA N N 15 127.605 0.033 . 1 . . 399 . . 133 ALA N . 51688 1 1418 . 1 . 1 134 134 PRO HA H 1 4.383 0.0 . 1 . . 1103 . . 134 PRO HA . 51688 1 1419 . 1 . 1 134 134 PRO C C 13 176.322 0.022 . 1 . . 1083 . . 134 PRO C . 51688 1 1420 . 1 . 1 134 134 PRO CA C 13 62.897 . . 1 . . 1079 . . 134 PRO CA . 51688 1 1421 . 1 . 1 134 134 PRO CB C 13 32.030 . . 1 . . 1075 . . 134 PRO CB . 51688 1 1422 . 1 . 1 135 135 ALA H H 1 8.229 0.014 . 1 . . 1070 . . 135 ALA H . 51688 1 1423 . 1 . 1 135 135 ALA HA H 1 4.573 0.003 . 1 . . 1101 . . 135 ALA HA . 51688 1 1424 . 1 . 1 135 135 ALA HB1 H 1 1.343 0.005 . 1 . . 1105 . . 135 ALA HB1 . 51688 1 1425 . 1 . 1 135 135 ALA HB2 H 1 1.343 0.005 . 1 . . 1105 . . 135 ALA HB2 . 51688 1 1426 . 1 . 1 135 135 ALA HB3 H 1 1.343 0.005 . 1 . . 1105 . . 135 ALA HB3 . 51688 1 1427 . 1 . 1 135 135 ALA C C 13 175.501 . . 1 . . 1081 . . 135 ALA C . 51688 1 1428 . 1 . 1 135 135 ALA CA C 13 50.367 0.018 . 1 . . 1071 . . 135 ALA CA . 51688 1 1429 . 1 . 1 135 135 ALA CB C 13 18.233 0.0 . 1 . . 1077 . . 135 ALA CB . 51688 1 1430 . 1 . 1 135 135 ALA N N 15 125.564 0.027 . 1 . . 1069 . . 135 ALA N . 51688 1 1431 . 1 . 1 136 136 PRO HA H 1 4.383 0.0 . 1 . . 1104 . . 136 PRO HA . 51688 1 1432 . 1 . 1 136 136 PRO C C 13 176.322 0.022 . 1 . . 1084 . . 136 PRO C . 51688 1 1433 . 1 . 1 136 136 PRO CA C 13 62.866 0.031 . 1 . . 1080 . . 136 PRO CA . 51688 1 1434 . 1 . 1 136 136 PRO CB C 13 32.027 0.004 . 1 . . 1076 . . 136 PRO CB . 51688 1 1435 . 1 . 1 137 137 ALA H H 1 8.229 0.014 . 1 . . 1166 . . 137 ALA H . 51688 1 1436 . 1 . 1 137 137 ALA HA H 1 4.573 0.003 . 1 . . 1102 . . 137 ALA HA . 51688 1 1437 . 1 . 1 137 137 ALA HB1 H 1 1.344 0.005 . 1 . . 1106 . . 137 ALA HB1 . 51688 1 1438 . 1 . 1 137 137 ALA HB2 H 1 1.344 0.005 . 1 . . 1106 . . 137 ALA HB2 . 51688 1 1439 . 1 . 1 137 137 ALA HB3 H 1 1.344 0.005 . 1 . . 1106 . . 137 ALA HB3 . 51688 1 1440 . 1 . 1 137 137 ALA C C 13 175.526 0.025 . 1 . . 1082 . . 137 ALA C . 51688 1 1441 . 1 . 1 137 137 ALA CA C 13 50.364 0.017 . 1 . . 1073 . . 137 ALA CA . 51688 1 1442 . 1 . 1 137 137 ALA CB C 13 18.231 0.004 . 1 . . 1078 . . 137 ALA CB . 51688 1 1443 . 1 . 1 137 137 ALA N N 15 125.565 0.024 . 1 . . 1072 . . 137 ALA N . 51688 1 1444 . 1 . 1 138 138 PRO CA C 13 62.999 0.07 . 1 . . 1093 . . 138 PRO CA . 51688 1 1445 . 1 . 1 138 138 PRO CB C 13 32.084 0.044 . 1 . . 1096 . . 138 PRO CB . 51688 1 1446 . 1 . 1 139 139 ARG H H 1 8.285 0.02 . 1 . . 1088 . . 139 ARG H . 51688 1 1447 . 1 . 1 139 139 ARG HA H 1 4.612 0.0 . 1 . . 1108 . . 139 ARG HA . 51688 1 1448 . 1 . 1 139 139 ARG HD2 H 1 3.222 0.0 . 1 . . 1109 . . 139 ARG HD2 . 51688 1 1449 . 1 . 1 139 139 ARG C C 13 174.295 . . 1 . . 1098 . . 139 ARG C . 51688 1 1450 . 1 . 1 139 139 ARG CA C 13 53.936 0.068 . 1 . . 1092 . . 139 ARG CA . 51688 1 1451 . 1 . 1 139 139 ARG CB C 13 30.332 0.017 . 1 . . 1089 . . 139 ARG CB . 51688 1 1452 . 1 . 1 139 139 ARG N N 15 122.312 0.062 . 1 . . 1090 . . 139 ARG N . 51688 1 1453 . 1 . 1 140 140 PRO CA C 13 62.999 0.07 . 1 . . 1094 . . 140 PRO CA . 51688 1 1454 . 1 . 1 140 140 PRO CB C 13 32.084 0.044 . 1 . . 1095 . . 140 PRO CB . 51688 1 1455 . 1 . 1 141 141 ARG H H 1 8.263 0.018 . 1 . . 1085 . . 141 ARG H . 51688 1 1456 . 1 . 1 141 141 ARG HA H 1 4.617 0.002 . 1 . . 1107 . . 141 ARG HA . 51688 1 1457 . 1 . 1 141 141 ARG HD2 H 1 3.222 0.0 . 1 . . 1110 . . 141 ARG HD2 . 51688 1 1458 . 1 . 1 141 141 ARG C C 13 174.294 . . 1 . . 1097 . . 141 ARG C . 51688 1 1459 . 1 . 1 141 141 ARG CA C 13 53.998 0.078 . 1 . . 1091 . . 141 ARG CA . 51688 1 1460 . 1 . 1 141 141 ARG CB C 13 30.332 0.012 . 1 . . 1086 . . 141 ARG CB . 51688 1 1461 . 1 . 1 141 141 ARG N N 15 122.247 0.07 . 1 . . 1087 . . 141 ARG N . 51688 1 1462 . 1 . 1 142 142 PRO C C 13 176.417 . . 1 . . 1066 . . 142 PRO C . 51688 1 1463 . 1 . 1 142 142 PRO CA C 13 63.189 . . 1 . . 1068 . . 142 PRO CA . 51688 1 1464 . 1 . 1 142 142 PRO CB C 13 32.142 . . 1 . . 1067 . . 142 PRO CB . 51688 1 1465 . 1 . 1 143 143 ALA H H 1 8.336 0.001 . 1 . . 1063 . . 143 ALA H . 51688 1 1466 . 1 . 1 143 143 ALA HA H 1 4.415 . . 1 . . 1268 . . 143 ALA HA . 51688 1 1467 . 1 . 1 143 143 ALA C C 13 176.809 . . 1 . . 1065 . . 143 ALA C . 51688 1 1468 . 1 . 1 143 143 ALA CA C 13 52.670 0.0 . 1 . . 1061 . . 143 ALA CA . 51688 1 1469 . 1 . 1 143 143 ALA CB C 13 19.361 . . 1 . . 1064 . . 143 ALA CB . 51688 1 1470 . 1 . 1 143 143 ALA N N 15 124.833 0.026 . 1 . . 1062 . . 143 ALA N . 51688 1 1471 . 1 . 1 144 144 SER H H 1 7.782 0.0 . 1 . . 1056 . . 144 SER H . 51688 1 1472 . 1 . 1 144 144 SER C C 13 178.540 . . 1 . . 1060 . . 144 SER C . 51688 1 1473 . 1 . 1 144 144 SER CA C 13 59.876 . . 1 . . 1059 . . 144 SER CA . 51688 1 1474 . 1 . 1 144 144 SER CB C 13 65.034 . . 1 . . 1057 . . 144 SER CB . 51688 1 1475 . 1 . 1 144 144 SER N N 15 120.269 0.006 . 1 . . 1058 . . 144 SER N . 51688 1 stop_ save_