data_25643 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25643 _Entry.Title ; Amino-terminal domain of Latrodectus hesperus MaSp1 with neutralized acidic cluster ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-05-29 _Entry.Accession_date 2015-06-01 _Entry.Last_release_date 2016-05-31 _Entry.Original_release_date 2016-05-31 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Daniel Schaal . . . . 25643 2 Stephan Schwarzinger . . . . 25643 3 Joschka Bauer . . . . 25643 4 Paul Roesch . . . . 25643 5 Thomas Scheibel . . . . 25643 6 Kristian Schweimer . . . . 25643 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25643 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID PROTEIN . 25643 'five-helix bundle' . 25643 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25643 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 367 25643 '15N chemical shifts' 128 25643 '1H chemical shifts' 756 25643 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2016-05-31 . original BMRB . 25643 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2N3E 'BMRB Entry Tracking System' 25643 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25643 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structure of the amino-terminal domain of major spider silk amplulate with neutralized charge cluster ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Daniel Schaal . . . . 25643 1 2 Stephan Schwarzinger . . . . 25643 1 3 Joschka Bauer . . . . 25643 1 4 Thomas Scheibel . . . . 25643 1 5 Kristian Schweimer . . . . 25643 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25643 _Assembly.ID 1 _Assembly.Name 'Amino-terminal domain of Latrodectus hesperus MaSp1 with neutralized acidic cluster' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity 1 $entity A . yes native no no . . . 25643 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25643 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GMGQANTPWSSKANADAFIN SFISAASNTGSFSQDQMENM SLIGNTLMAAMDNMGGRITP SKLQALDMAFASSVAQIAAS QGGDLGVTTNAIADALTSAF YQTTGVVNSRFISEIRSLIG MFAQASANDVYASAGSG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'No through-space distance information for unstructured termini' _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 137 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation 'D39N, E76Q, E81Q' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14011.565 _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 1 GLY . 25643 1 2 2 MET . 25643 1 3 3 GLY . 25643 1 4 4 GLN . 25643 1 5 5 ALA . 25643 1 6 6 ASN . 25643 1 7 7 THR . 25643 1 8 8 PRO . 25643 1 9 9 TRP . 25643 1 10 10 SER . 25643 1 11 11 SER . 25643 1 12 12 LYS . 25643 1 13 13 ALA . 25643 1 14 14 ASN . 25643 1 15 15 ALA . 25643 1 16 16 ASP . 25643 1 17 17 ALA . 25643 1 18 18 PHE . 25643 1 19 19 ILE . 25643 1 20 20 ASN . 25643 1 21 21 SER . 25643 1 22 22 PHE . 25643 1 23 23 ILE . 25643 1 24 24 SER . 25643 1 25 25 ALA . 25643 1 26 26 ALA . 25643 1 27 27 SER . 25643 1 28 28 ASN . 25643 1 29 29 THR . 25643 1 30 30 GLY . 25643 1 31 31 SER . 25643 1 32 32 PHE . 25643 1 33 33 SER . 25643 1 34 34 GLN . 25643 1 35 35 ASP . 25643 1 36 36 GLN . 25643 1 37 37 MET . 25643 1 38 38 GLU . 25643 1 39 39 ASN . 25643 1 40 40 MET . 25643 1 41 41 SER . 25643 1 42 42 LEU . 25643 1 43 43 ILE . 25643 1 44 44 GLY . 25643 1 45 45 ASN . 25643 1 46 46 THR . 25643 1 47 47 LEU . 25643 1 48 48 MET . 25643 1 49 49 ALA . 25643 1 50 50 ALA . 25643 1 51 51 MET . 25643 1 52 52 ASP . 25643 1 53 53 ASN . 25643 1 54 54 MET . 25643 1 55 55 GLY . 25643 1 56 56 GLY . 25643 1 57 57 ARG . 25643 1 58 58 ILE . 25643 1 59 59 THR . 25643 1 60 60 PRO . 25643 1 61 61 SER . 25643 1 62 62 LYS . 25643 1 63 63 LEU . 25643 1 64 64 GLN . 25643 1 65 65 ALA . 25643 1 66 66 LEU . 25643 1 67 67 ASP . 25643 1 68 68 MET . 25643 1 69 69 ALA . 25643 1 70 70 PHE . 25643 1 71 71 ALA . 25643 1 72 72 SER . 25643 1 73 73 SER . 25643 1 74 74 VAL . 25643 1 75 75 ALA . 25643 1 76 76 GLN . 25643 1 77 77 ILE . 25643 1 78 78 ALA . 25643 1 79 79 ALA . 25643 1 80 80 SER . 25643 1 81 81 GLN . 25643 1 82 82 GLY . 25643 1 83 83 GLY . 25643 1 84 84 ASP . 25643 1 85 85 LEU . 25643 1 86 86 GLY . 25643 1 87 87 VAL . 25643 1 88 88 THR . 25643 1 89 89 THR . 25643 1 90 90 ASN . 25643 1 91 91 ALA . 25643 1 92 92 ILE . 25643 1 93 93 ALA . 25643 1 94 94 ASP . 25643 1 95 95 ALA . 25643 1 96 96 LEU . 25643 1 97 97 THR . 25643 1 98 98 SER . 25643 1 99 99 ALA . 25643 1 100 100 PHE . 25643 1 101 101 TYR . 25643 1 102 102 GLN . 25643 1 103 103 THR . 25643 1 104 104 THR . 25643 1 105 105 GLY . 25643 1 106 106 VAL . 25643 1 107 107 VAL . 25643 1 108 108 ASN . 25643 1 109 109 SER . 25643 1 110 110 ARG . 25643 1 111 111 PHE . 25643 1 112 112 ILE . 25643 1 113 113 SER . 25643 1 114 114 GLU . 25643 1 115 115 ILE . 25643 1 116 116 ARG . 25643 1 117 117 SER . 25643 1 118 118 LEU . 25643 1 119 119 ILE . 25643 1 120 120 GLY . 25643 1 121 121 MET . 25643 1 122 122 PHE . 25643 1 123 123 ALA . 25643 1 124 124 GLN . 25643 1 125 125 ALA . 25643 1 126 126 SER . 25643 1 127 127 ALA . 25643 1 128 128 ASN . 25643 1 129 129 ASP . 25643 1 130 130 VAL . 25643 1 131 131 TYR . 25643 1 132 132 ALA . 25643 1 133 133 SER . 25643 1 134 134 ALA . 25643 1 135 135 GLY . 25643 1 136 136 SER . 25643 1 137 137 GLY . 25643 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 25643 1 . MET 2 2 25643 1 . GLY 3 3 25643 1 . GLN 4 4 25643 1 . ALA 5 5 25643 1 . ASN 6 6 25643 1 . THR 7 7 25643 1 . PRO 8 8 25643 1 . TRP 9 9 25643 1 . SER 10 10 25643 1 . SER 11 11 25643 1 . LYS 12 12 25643 1 . ALA 13 13 25643 1 . ASN 14 14 25643 1 . ALA 15 15 25643 1 . ASP 16 16 25643 1 . ALA 17 17 25643 1 . PHE 18 18 25643 1 . ILE 19 19 25643 1 . ASN 20 20 25643 1 . SER 21 21 25643 1 . PHE 22 22 25643 1 . ILE 23 23 25643 1 . SER 24 24 25643 1 . ALA 25 25 25643 1 . ALA 26 26 25643 1 . SER 27 27 25643 1 . ASN 28 28 25643 1 . THR 29 29 25643 1 . GLY 30 30 25643 1 . SER 31 31 25643 1 . PHE 32 32 25643 1 . SER 33 33 25643 1 . GLN 34 34 25643 1 . ASP 35 35 25643 1 . GLN 36 36 25643 1 . MET 37 37 25643 1 . GLU 38 38 25643 1 . ASN 39 39 25643 1 . MET 40 40 25643 1 . SER 41 41 25643 1 . LEU 42 42 25643 1 . ILE 43 43 25643 1 . GLY 44 44 25643 1 . ASN 45 45 25643 1 . THR 46 46 25643 1 . LEU 47 47 25643 1 . MET 48 48 25643 1 . ALA 49 49 25643 1 . ALA 50 50 25643 1 . MET 51 51 25643 1 . ASP 52 52 25643 1 . ASN 53 53 25643 1 . MET 54 54 25643 1 . GLY 55 55 25643 1 . GLY 56 56 25643 1 . ARG 57 57 25643 1 . ILE 58 58 25643 1 . THR 59 59 25643 1 . PRO 60 60 25643 1 . SER 61 61 25643 1 . LYS 62 62 25643 1 . LEU 63 63 25643 1 . GLN 64 64 25643 1 . ALA 65 65 25643 1 . LEU 66 66 25643 1 . ASP 67 67 25643 1 . MET 68 68 25643 1 . ALA 69 69 25643 1 . PHE 70 70 25643 1 . ALA 71 71 25643 1 . SER 72 72 25643 1 . SER 73 73 25643 1 . VAL 74 74 25643 1 . ALA 75 75 25643 1 . GLN 76 76 25643 1 . ILE 77 77 25643 1 . ALA 78 78 25643 1 . ALA 79 79 25643 1 . SER 80 80 25643 1 . GLN 81 81 25643 1 . GLY 82 82 25643 1 . GLY 83 83 25643 1 . ASP 84 84 25643 1 . LEU 85 85 25643 1 . GLY 86 86 25643 1 . VAL 87 87 25643 1 . THR 88 88 25643 1 . THR 89 89 25643 1 . ASN 90 90 25643 1 . ALA 91 91 25643 1 . ILE 92 92 25643 1 . ALA 93 93 25643 1 . ASP 94 94 25643 1 . ALA 95 95 25643 1 . LEU 96 96 25643 1 . THR 97 97 25643 1 . SER 98 98 25643 1 . ALA 99 99 25643 1 . PHE 100 100 25643 1 . TYR 101 101 25643 1 . GLN 102 102 25643 1 . THR 103 103 25643 1 . THR 104 104 25643 1 . GLY 105 105 25643 1 . VAL 106 106 25643 1 . VAL 107 107 25643 1 . ASN 108 108 25643 1 . SER 109 109 25643 1 . ARG 110 110 25643 1 . PHE 111 111 25643 1 . ILE 112 112 25643 1 . SER 113 113 25643 1 . GLU 114 114 25643 1 . ILE 115 115 25643 1 . ARG 116 116 25643 1 . SER 117 117 25643 1 . LEU 118 118 25643 1 . ILE 119 119 25643 1 . GLY 120 120 25643 1 . MET 121 121 25643 1 . PHE 122 122 25643 1 . ALA 123 123 25643 1 . GLN 124 124 25643 1 . ALA 125 125 25643 1 . SER 126 126 25643 1 . ALA 127 127 25643 1 . ASN 128 128 25643 1 . ASP 129 129 25643 1 . VAL 130 130 25643 1 . TYR 131 131 25643 1 . ALA 132 132 25643 1 . SER 133 133 25643 1 . ALA 134 134 25643 1 . GLY 135 135 25643 1 . SER 136 136 25643 1 . GLY 137 137 25643 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 25643 _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 . 256737 organism . 'Latrodectus hesperus' 'western black widow spider' . . Eukaryota Metazoa Latrodectus hesperus . . . . . . . . . . . . . 25643 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 25643 _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 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . pET28a . . pET28a-SUMO-NRN1 25643 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25643 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 NRN1-3* '[U-95% 13C; U-90% 15N]' . . 1 $entity . . 600 . . uM . . . . 25643 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25643 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25643 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25643 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 25643 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 20 . mM 25643 1 pH 7.2 . pH 25643 1 pressure 1 . atm 25643 1 temperature 298 . K 25643 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 25643 _Software.ID 1 _Software.Name X-PLOR_NIH _Software.Version 1.2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID NIH . . 25643 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25643 1 stop_ save_ save_CCPNMR_Analysis _Software.Sf_category software _Software.Sf_framecode CCPNMR_Analysis _Software.Entry_ID 25643 _Software.ID 2 _Software.Name CCPNMR_Analysis _Software.Version 2.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Vranken, Boucher, Stevens, Fogh, Pajon, Llinas, Ulrich, Markley, Ionides, Laue' . . 25643 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25643 2 'data analysis' 25643 2 'peak picking' 25643 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25643 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'TXI, 5 mm' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance II+' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25643 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'z ; Ultra-Shield, BCU05, TCI-cryo, 5mm' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25643 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker 'Avance II+' . 600 'TXI, 5 mm' . . 25643 1 2 spectrometer_2 Bruker Avance . 700 'z ; Ultra-Shield, BCU05, TCI-cryo, 5mm' . . 25643 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 25643 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25643 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25643 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25643 1 4 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25643 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25643 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25643 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25643 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25643 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25643 1 10 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25643 1 11 '3D CCH-NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25643 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25643 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.7 na indirect 1 . . . . . 25643 1 H 1 water protons . . . . ppm 4.7 na indirect 1 . . . . . 25643 1 N 15 water protons . . . . ppm 4.7 na indirect 1 . . . . . 25643 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25643 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 25643 1 3 '2D 1H-13C HSQC' . . . 25643 1 4 '2D 1H-13C HSQC aromatic' . . . 25643 1 5 '3D CBCA(CO)NH' . . . 25643 1 6 '3D HNCA' . . . 25643 1 7 '3D HCCH-TOCSY' . . . 25643 1 8 '3D 1H-15N NOESY' . . . 25643 1 9 '3D 1H-13C NOESY' . . . 25643 1 10 '3D 1H-13C NOESY aromatic' . . . 25643 1 11 '3D CCH-NOESY' . . . 25643 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 GLY H H 1 8.27 0 . 1 . . . A 3 GLY H . 25643 1 2 . 1 1 3 3 GLY CA C 13 45.5 0.11 . 1 . . . A 3 GLY CA . 25643 1 3 . 1 1 3 3 GLY N N 15 108.15 0.09 . 1 . . . A 3 GLY N . 25643 1 4 . 1 1 4 4 GLN H H 1 8.14 0 . 1 . . . A 4 GLN H . 25643 1 5 . 1 1 4 4 GLN HA H 1 4.21 0.01 . 1 . . . A 4 GLN HA . 25643 1 6 . 1 1 4 4 GLN HB2 H 1 2.01 0.04 . 2 . . . A 4 GLN HB2 . 25643 1 7 . 1 1 4 4 GLN HB3 H 1 1.87 0.04 . 2 . . . A 4 GLN HB3 . 25643 1 8 . 1 1 4 4 GLN CA C 13 55.9 0.04 . 1 . . . A 4 GLN CA . 25643 1 9 . 1 1 4 4 GLN CB C 13 29.49 0.05 . 1 . . . A 4 GLN CB . 25643 1 10 . 1 1 4 4 GLN CG C 13 33.89 0.03 . 1 . . . A 4 GLN CG . 25643 1 11 . 1 1 4 4 GLN N N 15 119.7 0.03 . 1 . . . A 4 GLN N . 25643 1 12 . 1 1 5 5 ALA H H 1 8.18 0.01 . 1 . . . A 5 ALA H . 25643 1 13 . 1 1 5 5 ALA HA H 1 4.17 0.03 . 1 . . . A 5 ALA HA . 25643 1 14 . 1 1 5 5 ALA HB1 H 1 1.26 0.03 . 1 . . . A 5 ALA HB1 . 25643 1 15 . 1 1 5 5 ALA HB2 H 1 1.26 0.03 . 1 . . . A 5 ALA HB1 . 25643 1 16 . 1 1 5 5 ALA HB3 H 1 1.26 0.03 . 1 . . . A 5 ALA HB1 . 25643 1 17 . 1 1 5 5 ALA CA C 13 52.88 0.23 . 1 . . . A 5 ALA CA . 25643 1 18 . 1 1 5 5 ALA CB C 13 19.22 0.07 . 1 . . . A 5 ALA CB . 25643 1 19 . 1 1 5 5 ALA N N 15 124.13 0.04 . 1 . . . A 5 ALA N . 25643 1 20 . 1 1 6 6 ASN H H 1 8.34 0.01 . 1 . . . A 6 ASN H . 25643 1 21 . 1 1 6 6 ASN HD21 H 1 7.39 0.00 . 1 . . . A 6 ASN HD21 . 25643 1 22 . 1 1 6 6 ASN HD22 H 1 6.75 0.00 . 1 . . . A 6 ASN HD22 . 25643 1 23 . 1 1 6 6 ASN HA H 1 4.5 0.17 . 1 . . . A 6 ASN HA . 25643 1 24 . 1 1 6 6 ASN CA C 13 52.6 0.03 . 1 . . . A 6 ASN CA . 25643 1 25 . 1 1 6 6 ASN CB C 13 37.98 0 . 1 . . . A 6 ASN CB . 25643 1 26 . 1 1 6 6 ASN N N 15 118.55 0.03 . 1 . . . A 6 ASN N . 25643 1 27 . 1 1 7 7 THR H H 1 7.48 0.01 . 1 . . . A 7 THR H . 25643 1 28 . 1 1 7 7 THR HA H 1 4.58 0.02 . 1 . . . A 7 THR HA . 25643 1 29 . 1 1 7 7 THR HB H 1 3.95 0.04 . 1 . . . A 7 THR HB . 25643 1 30 . 1 1 7 7 THR HG21 H 1 0.92 0.02 . 1 . . . A 7 THR HG21 . 25643 1 31 . 1 1 7 7 THR HG22 H 1 0.92 0.02 . 1 . . . A 7 THR HG21 . 25643 1 32 . 1 1 7 7 THR HG23 H 1 0.92 0.02 . 1 . . . A 7 THR HG21 . 25643 1 33 . 1 1 7 7 THR CA C 13 56.79 0.06 . 1 . . . A 7 THR CA . 25643 1 34 . 1 1 7 7 THR CB C 13 69.25 0.04 . 1 . . . A 7 THR CB . 25643 1 35 . 1 1 7 7 THR CG2 C 13 19.64 0.07 . 1 . . . A 7 THR CG2 . 25643 1 36 . 1 1 7 7 THR N N 15 115.3 0.03 . 1 . . . A 7 THR N . 25643 1 37 . 1 1 8 8 PRO HA H 1 3.83 0 . 1 . . . A 8 PRO HA . 25643 1 38 . 1 1 9 9 TRP H H 1 7.19 0.02 . 1 . . . A 9 TRP H . 25643 1 39 . 1 1 9 9 TRP HA H 1 4.81 0.03 . 1 . . . A 9 TRP HA . 25643 1 40 . 1 1 9 9 TRP HB2 H 1 3.87 0.04 . 2 . . . A 9 TRP HB2 . 25643 1 41 . 1 1 9 9 TRP HB3 H 1 3.34 0.01 . 2 . . . A 9 TRP HB3 . 25643 1 42 . 1 1 9 9 TRP HD1 H 1 6.9 0.02 . 1 . . . A 9 TRP HD1 . 25643 1 43 . 1 1 9 9 TRP HE3 H 1 6.56 0 . 1 . . . A 9 TRP HE3 . 25643 1 44 . 1 1 9 9 TRP HZ2 H 1 6.68 0.01 . 1 . . . A 9 TRP HZ2 . 25643 1 45 . 1 1 9 9 TRP HZ3 H 1 7.17 0.01 . 1 . . . A 9 TRP HZ3 . 25643 1 46 . 1 1 9 9 TRP HH2 H 1 6.16 0.02 . 1 . . . A 9 TRP HH2 . 25643 1 47 . 1 1 9 9 TRP CA C 13 52.9 0.05 . 1 . . . A 9 TRP CA . 25643 1 48 . 1 1 9 9 TRP CB C 13 28.76 0.08 . 1 . . . A 9 TRP CB . 25643 1 49 . 1 1 9 9 TRP CD1 C 13 128.87 0 . 1 . . . A 9 TRP CD1 . 25643 1 50 . 1 1 9 9 TRP CE3 C 13 119.83 0.06 . 1 . . . A 9 TRP CE3 . 25643 1 51 . 1 1 9 9 TRP CZ2 C 13 113.4 0 . 1 . . . A 9 TRP CZ2 . 25643 1 52 . 1 1 9 9 TRP CZ3 C 13 121.18 0.08 . 1 . . . A 9 TRP CZ3 . 25643 1 53 . 1 1 9 9 TRP CH2 C 13 122.9 0.07 . 1 . . . A 9 TRP CH2 . 25643 1 54 . 1 1 9 9 TRP N N 15 113.18 0.05 . 1 . . . A 9 TRP N . 25643 1 55 . 1 1 10 10 SER H H 1 7.2 0.01 . 1 . . . A 10 SER H . 25643 1 56 . 1 1 10 10 SER HA H 1 4.71 0.01 . 1 . . . A 10 SER HA . 25643 1 57 . 1 1 10 10 SER HB2 H 1 3.77 0.04 . 2 . . . A 10 SER HB2 . 25643 1 58 . 1 1 10 10 SER HB3 H 1 3.93 0.03 . 2 . . . A 10 SER HB3 . 25643 1 59 . 1 1 10 10 SER CA C 13 59.76 0.06 . 1 . . . A 10 SER CA . 25643 1 60 . 1 1 10 10 SER CB C 13 63.22 0.24 . 1 . . . A 10 SER CB . 25643 1 61 . 1 1 10 10 SER N N 15 110.44 0.04 . 1 . . . A 10 SER N . 25643 1 62 . 1 1 11 11 SER H H 1 7.46 0.05 . 1 . . . A 11 SER H . 25643 1 63 . 1 1 11 11 SER HA H 1 4.52 0.03 . 1 . . . A 11 SER HA . 25643 1 64 . 1 1 11 11 SER HB3 H 1 4.1 0.03 . 1 . . . A 11 SER HB3 . 25643 1 65 . 1 1 11 11 SER HB2 H 1 4.1 0.03 . 1 . . . A 11 SER HB3 . 25643 1 66 . 1 1 11 11 SER CA C 13 56.93 0.06 . 1 . . . A 11 SER CA . 25643 1 67 . 1 1 11 11 SER CB C 13 65.85 0.11 . 1 . . . A 11 SER CB . 25643 1 68 . 1 1 11 11 SER N N 15 112 0.03 . 1 . . . A 11 SER N . 25643 1 69 . 1 1 12 12 LYS H H 1 7.99 0.01 . 1 . . . A 12 LYS H . 25643 1 70 . 1 1 12 12 LYS HA H 1 3.94 0.02 . 1 . . . A 12 LYS HA . 25643 1 71 . 1 1 12 12 LYS HB2 H 1 1.82 0.02 . 2 . . . A 12 LYS HB2 . 25643 1 72 . 1 1 12 12 LYS HB3 H 1 1.84 0.03 . 2 . . . A 12 LYS HB3 . 25643 1 73 . 1 1 12 12 LYS HG2 H 1 1.46 0.04 . 1 . . . A 12 LYS HG2 . 25643 1 74 . 1 1 12 12 LYS HG3 H 1 1.46 0.04 . 1 . . . A 12 LYS HG3 . 25643 1 75 . 1 1 12 12 LYS HD2 H 1 1.71 0.03 . 2 . . . A 12 LYS HD2 . 25643 1 76 . 1 1 12 12 LYS HD3 H 1 1.62 0.03 . 2 . . . A 12 LYS HD3 . 25643 1 77 . 1 1 12 12 LYS HE2 H 1 2.92 0.02 . 2 . . . A 12 LYS HE2 . 25643 1 78 . 1 1 12 12 LYS HE3 H 1 2.93 0.02 . 2 . . . A 12 LYS HE3 . 25643 1 79 . 1 1 12 12 LYS CA C 13 60.63 0.14 . 1 . . . A 12 LYS CA . 25643 1 80 . 1 1 12 12 LYS CB C 13 32.1 0.06 . 1 . . . A 12 LYS CB . 25643 1 81 . 1 1 12 12 LYS CG C 13 25.8 0.07 . 1 . . . A 12 LYS CG . 25643 1 82 . 1 1 12 12 LYS CD C 13 29.48 0.16 . 1 . . . A 12 LYS CD . 25643 1 83 . 1 1 12 12 LYS CE C 13 42.12 0.08 . 1 . . . A 12 LYS CE . 25643 1 84 . 1 1 12 12 LYS N N 15 120.31 0.09 . 1 . . . A 12 LYS N . 25643 1 85 . 1 1 13 13 ALA H H 1 8.36 0.01 . 1 . . . A 13 ALA H . 25643 1 86 . 1 1 13 13 ALA HA H 1 4.16 0.04 . 1 . . . A 13 ALA HA . 25643 1 87 . 1 1 13 13 ALA HB1 H 1 1.33 0.03 . 1 . . . A 13 ALA HB1 . 25643 1 88 . 1 1 13 13 ALA HB2 H 1 1.33 0.03 . 1 . . . A 13 ALA HB1 . 25643 1 89 . 1 1 13 13 ALA HB3 H 1 1.33 0.03 . 1 . . . A 13 ALA HB1 . 25643 1 90 . 1 1 13 13 ALA CA C 13 55.08 0.09 . 1 . . . A 13 ALA CA . 25643 1 91 . 1 1 13 13 ALA CB C 13 18.15 0.07 . 1 . . . A 13 ALA CB . 25643 1 92 . 1 1 13 13 ALA N N 15 119.83 0.04 . 1 . . . A 13 ALA N . 25643 1 93 . 1 1 14 14 ASN H H 1 7.96 0.01 . 1 . . . A 14 ASN H . 25643 1 94 . 1 1 14 14 ASN HA H 1 4.36 0.02 . 1 . . . A 14 ASN HA . 25643 1 95 . 1 1 14 14 ASN HB2 H 1 2.61 0.06 . 2 . . . A 14 ASN HB2 . 25643 1 96 . 1 1 14 14 ASN HB3 H 1 2.71 0.03 . 2 . . . A 14 ASN HB3 . 25643 1 97 . 1 1 14 14 ASN CA C 13 56.14 0.11 . 1 . . . A 14 ASN CA . 25643 1 98 . 1 1 14 14 ASN CB C 13 38.29 0.09 . 1 . . . A 14 ASN CB . 25643 1 99 . 1 1 14 14 ASN N N 15 119.06 0.03 . 1 . . . A 14 ASN N . 25643 1 100 . 1 1 15 15 ALA H H 1 8.44 0.03 . 1 . . . A 15 ALA H . 25643 1 101 . 1 1 15 15 ALA HA H 1 4.34 0.03 . 1 . . . A 15 ALA HA . 25643 1 102 . 1 1 15 15 ALA HB1 H 1 1.64 0.03 . 1 . . . A 15 ALA HB1 . 25643 1 103 . 1 1 15 15 ALA HB2 H 1 1.64 0.03 . 1 . . . A 15 ALA HB1 . 25643 1 104 . 1 1 15 15 ALA HB3 H 1 1.64 0.03 . 1 . . . A 15 ALA HB1 . 25643 1 105 . 1 1 15 15 ALA CA C 13 55.87 0.22 . 1 . . . A 15 ALA CA . 25643 1 106 . 1 1 15 15 ALA CB C 13 19.55 0.07 . 1 . . . A 15 ALA CB . 25643 1 107 . 1 1 15 15 ALA N N 15 125.51 0.02 . 1 . . . A 15 ALA N . 25643 1 108 . 1 1 16 16 ASP H H 1 8.39 0.01 . 1 . . . A 16 ASP H . 25643 1 109 . 1 1 16 16 ASP HA H 1 4.36 0.02 . 1 . . . A 16 ASP HA . 25643 1 110 . 1 1 16 16 ASP HB2 H 1 2.63 0.03 . 2 . . . A 16 ASP HB2 . 25643 1 111 . 1 1 16 16 ASP HB3 H 1 2.78 0 . 2 . . . A 16 ASP HB3 . 25643 1 112 . 1 1 16 16 ASP CA C 13 57.35 0.12 . 1 . . . A 16 ASP CA . 25643 1 113 . 1 1 16 16 ASP CB C 13 42.31 0.08 . 1 . . . A 16 ASP CB . 25643 1 114 . 1 1 16 16 ASP N N 15 118.08 0.05 . 1 . . . A 16 ASP N . 25643 1 115 . 1 1 17 17 ALA H H 1 7.65 0.01 . 1 . . . A 17 ALA H . 25643 1 116 . 1 1 17 17 ALA HA H 1 4.11 0.02 . 1 . . . A 17 ALA HA . 25643 1 117 . 1 1 17 17 ALA HB1 H 1 1.49 0.02 . 1 . . . A 17 ALA HB1 . 25643 1 118 . 1 1 17 17 ALA HB2 H 1 1.49 0.02 . 1 . . . A 17 ALA HB1 . 25643 1 119 . 1 1 17 17 ALA HB3 H 1 1.49 0.02 . 1 . . . A 17 ALA HB1 . 25643 1 120 . 1 1 17 17 ALA CA C 13 55.1 0.07 . 1 . . . A 17 ALA CA . 25643 1 121 . 1 1 17 17 ALA CB C 13 18.28 0.1 . 1 . . . A 17 ALA CB . 25643 1 122 . 1 1 17 17 ALA N N 15 120.35 0.02 . 1 . . . A 17 ALA N . 25643 1 123 . 1 1 18 18 PHE H H 1 8.65 0.01 . 1 . . . A 18 PHE H . 25643 1 124 . 1 1 18 18 PHE HA H 1 3.77 0.03 . 1 . . . A 18 PHE HA . 25643 1 125 . 1 1 18 18 PHE HB2 H 1 2.88 0.01 . 2 . . . A 18 PHE HB2 . 25643 1 126 . 1 1 18 18 PHE HB3 H 1 2.9 0.03 . 2 . . . A 18 PHE HB3 . 25643 1 127 . 1 1 18 18 PHE HD1 H 1 6.37 0.02 . 1 . . . A 18 PHE HD1 . 25643 1 128 . 1 1 18 18 PHE HD2 H 1 6.37 0.02 . 1 . . . A 18 PHE HD2 . 25643 1 129 . 1 1 18 18 PHE HE1 H 1 5.59 0.01 . 1 . . . A 18 PHE HE1 . 25643 1 130 . 1 1 18 18 PHE HE2 H 1 5.59 0.01 . 1 . . . A 18 PHE HE2 . 25643 1 131 . 1 1 18 18 PHE HZ H 1 6.09 0.03 . 1 . . . A 18 PHE HZ . 25643 1 132 . 1 1 18 18 PHE CA C 13 62.18 0.04 . 1 . . . A 18 PHE CA . 25643 1 133 . 1 1 18 18 PHE CB C 13 39.62 0.09 . 1 . . . A 18 PHE CB . 25643 1 134 . 1 1 18 18 PHE CD1 C 13 131.23 0.06 . 1 . . . A 18 PHE CD1 . 25643 1 135 . 1 1 18 18 PHE CD2 C 13 131.23 0.06 . 1 . . . A 18 PHE CD2 . 25643 1 136 . 1 1 18 18 PHE CE1 C 13 130.06 0.05 . 1 . . . A 18 PHE CE1 . 25643 1 137 . 1 1 18 18 PHE CE2 C 13 130.06 0.05 . 1 . . . A 18 PHE CE2 . 25643 1 138 . 1 1 18 18 PHE CZ C 13 128.6 0.06 . 1 . . . A 18 PHE CZ . 25643 1 139 . 1 1 18 18 PHE N N 15 121.31 0.04 . 1 . . . A 18 PHE N . 25643 1 140 . 1 1 19 19 ILE H H 1 8.92 0.01 . 1 . . . A 19 ILE H . 25643 1 141 . 1 1 19 19 ILE HA H 1 3.46 0.03 . 1 . . . A 19 ILE HA . 25643 1 142 . 1 1 19 19 ILE HB H 1 2.13 0.03 . 1 . . . A 19 ILE HB . 25643 1 143 . 1 1 19 19 ILE HG12 H 1 1.37 0.06 . 1 . . . A 19 ILE HG12 . 25643 1 144 . 1 1 19 19 ILE HG13 H 1 1.37 0.06 . 1 . . . A 19 ILE HG13 . 25643 1 145 . 1 1 19 19 ILE HG21 H 1 0.94 0.04 . 1 . . . A 19 ILE HG21 . 25643 1 146 . 1 1 19 19 ILE HG22 H 1 0.94 0.04 . 1 . . . A 19 ILE HG21 . 25643 1 147 . 1 1 19 19 ILE HG23 H 1 0.94 0.04 . 1 . . . A 19 ILE HG21 . 25643 1 148 . 1 1 19 19 ILE HD11 H 1 0.96 0.01 . 1 . . . A 19 ILE HD11 . 25643 1 149 . 1 1 19 19 ILE HD12 H 1 0.96 0.01 . 1 . . . A 19 ILE HD11 . 25643 1 150 . 1 1 19 19 ILE HD13 H 1 0.96 0.01 . 1 . . . A 19 ILE HD11 . 25643 1 151 . 1 1 19 19 ILE CA C 13 65.01 0.05 . 1 . . . A 19 ILE CA . 25643 1 152 . 1 1 19 19 ILE CB C 13 37.21 0.08 . 1 . . . A 19 ILE CB . 25643 1 153 . 1 1 19 19 ILE CG1 C 13 29.79 0.12 . 1 . . . A 19 ILE CG1 . 25643 1 154 . 1 1 19 19 ILE CG2 C 13 18.01 0.24 . 1 . . . A 19 ILE CG2 . 25643 1 155 . 1 1 19 19 ILE CD1 C 13 13 0.06 . 1 . . . A 19 ILE CD1 . 25643 1 156 . 1 1 19 19 ILE N N 15 119.77 0.04 . 1 . . . A 19 ILE N . 25643 1 157 . 1 1 20 20 ASN H H 1 8.44 0.01 . 1 . . . A 20 ASN H . 25643 1 158 . 1 1 20 20 ASN HA H 1 4.37 0.02 . 1 . . . A 20 ASN HA . 25643 1 159 . 1 1 20 20 ASN HB2 H 1 2.73 0.11 . 2 . . . A 20 ASN HB2 . 25643 1 160 . 1 1 20 20 ASN HB3 H 1 2.64 0.03 . 2 . . . A 20 ASN HB3 . 25643 1 161 . 1 1 20 20 ASN HD21 H 1 7.38 0.01 . 2 . . . A 20 ASN HD21 . 25643 1 162 . 1 1 20 20 ASN HD22 H 1 6.73 0.01 . 2 . . . A 20 ASN HD22 . 25643 1 163 . 1 1 20 20 ASN CA C 13 57.1 0.12 . 1 . . . A 20 ASN CA . 25643 1 164 . 1 1 20 20 ASN CB C 13 38.33 0.05 . 1 . . . A 20 ASN CB . 25643 1 165 . 1 1 20 20 ASN N N 15 116.91 0.04 . 1 . . . A 20 ASN N . 25643 1 166 . 1 1 20 20 ASN ND2 N 15 114.47 0.05 . 1 . . . A 20 ASN ND2 . 25643 1 167 . 1 1 21 21 SER H H 1 8.13 0.01 . 1 . . . A 21 SER H . 25643 1 168 . 1 1 21 21 SER HA H 1 4.12 0.03 . 1 . . . A 21 SER HA . 25643 1 169 . 1 1 21 21 SER HB2 H 1 3.85 0.04 . 2 . . . A 21 SER HB2 . 25643 1 170 . 1 1 21 21 SER HB3 H 1 3.69 0.02 . 2 . . . A 21 SER HB3 . 25643 1 171 . 1 1 21 21 SER CA C 13 62.69 0.1 . 1 . . . A 21 SER CA . 25643 1 172 . 1 1 21 21 SER CB C 13 62.8 0.09 . 1 . . . A 21 SER CB . 25643 1 173 . 1 1 21 21 SER N N 15 117 0.08 . 1 . . . A 21 SER N . 25643 1 174 . 1 1 22 22 PHE H H 1 8.53 0.01 . 1 . . . A 22 PHE H . 25643 1 175 . 1 1 22 22 PHE HA H 1 3.97 0.02 . 1 . . . A 22 PHE HA . 25643 1 176 . 1 1 22 22 PHE HB2 H 1 3.01 0.04 . 2 . . . A 22 PHE HB2 . 25643 1 177 . 1 1 22 22 PHE HB3 H 1 2.39 0.03 . 2 . . . A 22 PHE HB3 . 25643 1 178 . 1 1 22 22 PHE HD1 H 1 6.88 0.02 . 1 . . . A 22 PHE HD1 . 25643 1 179 . 1 1 22 22 PHE HD2 H 1 6.88 0.02 . 1 . . . A 22 PHE HD2 . 25643 1 180 . 1 1 22 22 PHE HE1 H 1 7.19 0.02 . 1 . . . A 22 PHE HE1 . 25643 1 181 . 1 1 22 22 PHE HE2 H 1 7.19 0.02 . 1 . . . A 22 PHE HE2 . 25643 1 182 . 1 1 22 22 PHE HZ H 1 6.89 0.01 . 1 . . . A 22 PHE HZ . 25643 1 183 . 1 1 22 22 PHE CA C 13 60.92 0.07 . 1 . . . A 22 PHE CA . 25643 1 184 . 1 1 22 22 PHE CB C 13 38.38 0.09 . 1 . . . A 22 PHE CB . 25643 1 185 . 1 1 22 22 PHE CD1 C 13 131.81 0.07 . 1 . . . A 22 PHE CD1 . 25643 1 186 . 1 1 22 22 PHE CD2 C 13 131.81 0.07 . 1 . . . A 22 PHE CD2 . 25643 1 187 . 1 1 22 22 PHE CE1 C 13 130.39 0.05 . 1 . . . A 22 PHE CE1 . 25643 1 188 . 1 1 22 22 PHE CE2 C 13 130.39 0.05 . 1 . . . A 22 PHE CE2 . 25643 1 189 . 1 1 22 22 PHE CZ C 13 128.91 0.08 . 1 . . . A 22 PHE CZ . 25643 1 190 . 1 1 22 22 PHE N N 15 124.18 0.03 . 1 . . . A 22 PHE N . 25643 1 191 . 1 1 23 23 ILE H H 1 8.6 0.01 . 1 . . . A 23 ILE H . 25643 1 192 . 1 1 23 23 ILE HA H 1 3.03 0.02 . 1 . . . A 23 ILE HA . 25643 1 193 . 1 1 23 23 ILE HB H 1 1.85 0.04 . 1 . . . A 23 ILE HB . 25643 1 194 . 1 1 23 23 ILE HG12 H 1 1.16 0.06 . 1 . . . A 23 ILE HG12 . 25643 1 195 . 1 1 23 23 ILE HG13 H 1 1.16 0.06 . 1 . . . A 23 ILE HG13 . 25643 1 196 . 1 1 23 23 ILE HG21 H 1 0.71 0.02 . 1 . . . A 23 ILE HG21 . 25643 1 197 . 1 1 23 23 ILE HG22 H 1 0.71 0.02 . 1 . . . A 23 ILE HG21 . 25643 1 198 . 1 1 23 23 ILE HG23 H 1 0.71 0.02 . 1 . . . A 23 ILE HG21 . 25643 1 199 . 1 1 23 23 ILE CA C 13 64.56 0.24 . 1 . . . A 23 ILE CA . 25643 1 200 . 1 1 23 23 ILE CB C 13 37.2 0.09 . 1 . . . A 23 ILE CB . 25643 1 201 . 1 1 23 23 ILE CG1 C 13 29.15 0.13 . 1 . . . A 23 ILE CG1 . 25643 1 202 . 1 1 23 23 ILE CG2 C 13 16.8 0.18 . 1 . . . A 23 ILE CG2 . 25643 1 203 . 1 1 23 23 ILE CD1 C 13 12.7 0.2 . 1 . . . A 23 ILE CD1 . 25643 1 204 . 1 1 23 23 ILE N N 15 120.16 0.04 . 1 . . . A 23 ILE N . 25643 1 205 . 1 1 24 24 SER H H 1 7.89 0.01 . 1 . . . A 24 SER H . 25643 1 206 . 1 1 24 24 SER HA H 1 4.05 0.03 . 1 . . . A 24 SER HA . 25643 1 207 . 1 1 24 24 SER HB2 H 1 3.87 0.03 . 1 . . . A 24 SER HB2 . 25643 1 208 . 1 1 24 24 SER HB3 H 1 3.87 0.03 . 1 . . . A 24 SER HB3 . 25643 1 209 . 1 1 24 24 SER CA C 13 61.79 0.11 . 1 . . . A 24 SER CA . 25643 1 210 . 1 1 24 24 SER CB C 13 62.84 0.07 . 1 . . . A 24 SER CB . 25643 1 211 . 1 1 24 24 SER N N 15 114.9 0.05 . 1 . . . A 24 SER N . 25643 1 212 . 1 1 25 25 ALA H H 1 8.1 0.01 . 1 . . . A 25 ALA H . 25643 1 213 . 1 1 25 25 ALA HA H 1 4.08 0.05 . 1 . . . A 25 ALA HA . 25643 1 214 . 1 1 25 25 ALA HB1 H 1 1.54 0.04 . 1 . . . A 25 ALA HB1 . 25643 1 215 . 1 1 25 25 ALA HB2 H 1 1.54 0.04 . 1 . . . A 25 ALA HB1 . 25643 1 216 . 1 1 25 25 ALA HB3 H 1 1.54 0.04 . 1 . . . A 25 ALA HB1 . 25643 1 217 . 1 1 25 25 ALA CA C 13 55.17 0.14 . 1 . . . A 25 ALA CA . 25643 1 218 . 1 1 25 25 ALA CB C 13 18.21 0.13 . 1 . . . A 25 ALA CB . 25643 1 219 . 1 1 25 25 ALA N N 15 123.19 0.03 . 1 . . . A 25 ALA N . 25643 1 220 . 1 1 26 26 ALA H H 1 8.85 0.01 . 1 . . . A 26 ALA H . 25643 1 221 . 1 1 26 26 ALA HA H 1 4.1 0.03 . 1 . . . A 26 ALA HA . 25643 1 222 . 1 1 26 26 ALA HB1 H 1 1.52 0.03 . 1 . . . A 26 ALA HB1 . 25643 1 223 . 1 1 26 26 ALA HB2 H 1 1.52 0.03 . 1 . . . A 26 ALA HB1 . 25643 1 224 . 1 1 26 26 ALA HB3 H 1 1.52 0.03 . 1 . . . A 26 ALA HB1 . 25643 1 225 . 1 1 26 26 ALA CA C 13 55.55 0.18 . 1 . . . A 26 ALA CA . 25643 1 226 . 1 1 26 26 ALA CB C 13 16.39 0.02 . 1 . . . A 26 ALA CB . 25643 1 227 . 1 1 26 26 ALA N N 15 122.04 0.03 . 1 . . . A 26 ALA N . 25643 1 228 . 1 1 27 27 SER H H 1 8.55 0.02 . 1 . . . A 27 SER H . 25643 1 229 . 1 1 27 27 SER HA H 1 4.16 0.06 . 1 . . . A 27 SER HA . 25643 1 230 . 1 1 27 27 SER HB2 H 1 4.01 0.02 . 1 . . . A 27 SER HB2 . 25643 1 231 . 1 1 27 27 SER HB3 H 1 4.01 0.02 . 1 . . . A 27 SER HB3 . 25643 1 232 . 1 1 27 27 SER CA C 13 62.11 0.29 . 1 . . . A 27 SER CA . 25643 1 233 . 1 1 27 27 SER CB C 13 62.93 0.07 . 1 . . . A 27 SER CB . 25643 1 234 . 1 1 27 27 SER N N 15 116.72 0.04 . 1 . . . A 27 SER N . 25643 1 235 . 1 1 28 28 ASN H H 1 7.68 0.03 . 1 . . . A 28 ASN H . 25643 1 236 . 1 1 28 28 ASN HA H 1 4.59 0.02 . 1 . . . A 28 ASN HA . 25643 1 237 . 1 1 28 28 ASN HB2 H 1 2.85 0.04 . 2 . . . A 28 ASN HB2 . 25643 1 238 . 1 1 28 28 ASN HB3 H 1 2.86 0.04 . 2 . . . A 28 ASN HB3 . 25643 1 239 . 1 1 28 28 ASN HD21 H 1 7.49 0.00 . 2 . . . A 28 ASN HD21 . 25643 1 240 . 1 1 28 28 ASN HD22 H 1 6.83 0.00 . 2 . . . A 28 ASN HD22 . 25643 1 241 . 1 1 28 28 ASN CA C 13 54.81 0.06 . 1 . . . A 28 ASN CA . 25643 1 242 . 1 1 28 28 ASN CB C 13 39.03 0.04 . 1 . . . A 28 ASN CB . 25643 1 243 . 1 1 28 28 ASN N N 15 117.81 0.03 . 1 . . . A 28 ASN N . 25643 1 244 . 1 1 29 29 THR H H 1 7.57 0.01 . 1 . . . A 29 THR H . 25643 1 245 . 1 1 29 29 THR HA H 1 4.17 0.03 . 1 . . . A 29 THR HA . 25643 1 246 . 1 1 29 29 THR HB H 1 4.31 0.03 . 1 . . . A 29 THR HB . 25643 1 247 . 1 1 29 29 THR HG1 H 1 5.17 0.02 . 1 . . . A 29 THR HG1 . 25643 1 248 . 1 1 29 29 THR HG21 H 1 1.6 0.02 . 1 . . . A 29 THR HG21 . 25643 1 249 . 1 1 29 29 THR HG22 H 1 1.6 0.02 . 1 . . . A 29 THR HG21 . 25643 1 250 . 1 1 29 29 THR HG23 H 1 1.6 0.02 . 1 . . . A 29 THR HG21 . 25643 1 251 . 1 1 29 29 THR CA C 13 64.53 0.05 . 1 . . . A 29 THR CA . 25643 1 252 . 1 1 29 29 THR CB C 13 71.26 0.1 . 1 . . . A 29 THR CB . 25643 1 253 . 1 1 29 29 THR CG2 C 13 21.64 0.08 . 1 . . . A 29 THR CG2 . 25643 1 254 . 1 1 29 29 THR N N 15 109.08 0.02 . 1 . . . A 29 THR N . 25643 1 255 . 1 1 30 30 GLY H H 1 7.55 0.02 . 1 . . . A 30 GLY H . 25643 1 256 . 1 1 30 30 GLY HA2 H 1 4.08 0.03 . 2 . . . A 30 GLY HA2 . 25643 1 257 . 1 1 30 30 GLY HA3 H 1 3.92 0.04 . 2 . . . A 30 GLY HA3 . 25643 1 258 . 1 1 30 30 GLY CA C 13 46.21 0.08 . 1 . . . A 30 GLY CA . 25643 1 259 . 1 1 30 30 GLY N N 15 108.75 0.05 . 1 . . . A 30 GLY N . 25643 1 260 . 1 1 31 31 SER H H 1 7.82 0.03 . 1 . . . A 31 SER H . 25643 1 261 . 1 1 31 31 SER HA H 1 4.12 0.02 . 1 . . . A 31 SER HA . 25643 1 262 . 1 1 31 31 SER HB2 H 1 4.04 0.07 . 2 . . . A 31 SER HB2 . 25643 1 263 . 1 1 31 31 SER HB3 H 1 3.95 0.05 . 2 . . . A 31 SER HB3 . 25643 1 264 . 1 1 31 31 SER CA C 13 59.75 0.1 . 1 . . . A 31 SER CA . 25643 1 265 . 1 1 31 31 SER CB C 13 64.02 0.13 . 1 . . . A 31 SER CB . 25643 1 266 . 1 1 31 31 SER N N 15 114.87 0.01 . 1 . . . A 31 SER N . 25643 1 267 . 1 1 32 32 PHE H H 1 8.14 0.02 . 1 . . . A 32 PHE H . 25643 1 268 . 1 1 32 32 PHE HA H 1 4.86 0.03 . 1 . . . A 32 PHE HA . 25643 1 269 . 1 1 32 32 PHE HB2 H 1 2.6 0.03 . 1 . . . A 32 PHE HB2 . 25643 1 270 . 1 1 32 32 PHE HB3 H 1 2.6 0.03 . 1 . . . A 32 PHE HB3 . 25643 1 271 . 1 1 32 32 PHE HD1 H 1 7.01 0.03 . 1 . . . A 32 PHE HD1 . 25643 1 272 . 1 1 32 32 PHE HD2 H 1 7.01 0.03 . 1 . . . A 32 PHE HD2 . 25643 1 273 . 1 1 32 32 PHE HE1 H 1 6.92 0.01 . 1 . . . A 32 PHE HE1 . 25643 1 274 . 1 1 32 32 PHE HE2 H 1 6.92 0.01 . 1 . . . A 32 PHE HE2 . 25643 1 275 . 1 1 32 32 PHE HZ H 1 7.02 0.01 . 1 . . . A 32 PHE HZ . 25643 1 276 . 1 1 32 32 PHE CA C 13 56.46 0.05 . 1 . . . A 32 PHE CA . 25643 1 277 . 1 1 32 32 PHE CB C 13 41.23 0.08 . 1 . . . A 32 PHE CB . 25643 1 278 . 1 1 32 32 PHE CD1 C 13 132.22 0.06 . 1 . . . A 32 PHE CD1 . 25643 1 279 . 1 1 32 32 PHE CD2 C 13 132.22 0.06 . 1 . . . A 32 PHE CD2 . 25643 1 280 . 1 1 32 32 PHE CE1 C 13 130.04 0.08 . 1 . . . A 32 PHE CE1 . 25643 1 281 . 1 1 32 32 PHE CE2 C 13 130.04 0.08 . 1 . . . A 32 PHE CE2 . 25643 1 282 . 1 1 32 32 PHE CZ C 13 129 0.15 . 1 . . . A 32 PHE CZ . 25643 1 283 . 1 1 32 32 PHE N N 15 117.84 0.03 . 1 . . . A 32 PHE N . 25643 1 284 . 1 1 33 33 SER H H 1 9.41 0.01 . 1 . . . A 33 SER H . 25643 1 285 . 1 1 33 33 SER HA H 1 4.47 0.02 . 1 . . . A 33 SER HA . 25643 1 286 . 1 1 33 33 SER HB2 H 1 4.09 0.07 . 2 . . . A 33 SER HB2 . 25643 1 287 . 1 1 33 33 SER HB3 H 1 4.02 0.03 . 2 . . . A 33 SER HB3 . 25643 1 288 . 1 1 33 33 SER CA C 13 56.88 0.12 . 1 . . . A 33 SER CA . 25643 1 289 . 1 1 33 33 SER CB C 13 65.74 0.1 . 1 . . . A 33 SER CB . 25643 1 290 . 1 1 33 33 SER N N 15 120.05 0.02 . 1 . . . A 33 SER N . 25643 1 291 . 1 1 34 34 GLN H H 1 9 0.01 . 1 . . . A 34 GLN H . 25643 1 292 . 1 1 34 34 GLN HA H 1 3.98 0.02 . 1 . . . A 34 GLN HA . 25643 1 293 . 1 1 34 34 GLN HB2 H 1 2.13 0.03 . 2 . . . A 34 GLN HB2 . 25643 1 294 . 1 1 34 34 GLN HB3 H 1 2.03 0.03 . 2 . . . A 34 GLN HB3 . 25643 1 295 . 1 1 34 34 GLN HG2 H 1 2.38 0.04 . 1 . . . A 34 GLN HG2 . 25643 1 296 . 1 1 34 34 GLN HG3 H 1 2.38 0.04 . 1 . . . A 34 GLN HG3 . 25643 1 297 . 1 1 34 34 GLN HE22 H 1 6.79 0.00 . 1 . . . A 34 GLN HE22 . 25643 1 298 . 1 1 34 34 GLN CA C 13 59.61 0.08 . 1 . . . A 34 GLN CA . 25643 1 299 . 1 1 34 34 GLN CB C 13 28.16 0.07 . 1 . . . A 34 GLN CB . 25643 1 300 . 1 1 34 34 GLN CG C 13 33.65 0.13 . 1 . . . A 34 GLN CG . 25643 1 301 . 1 1 34 34 GLN N N 15 121.44 0.03 . 1 . . . A 34 GLN N . 25643 1 302 . 1 1 35 35 ASP H H 1 8.39 0.03 . 1 . . . A 35 ASP H . 25643 1 303 . 1 1 35 35 ASP HA H 1 4.37 0.03 . 1 . . . A 35 ASP HA . 25643 1 304 . 1 1 35 35 ASP HB2 H 1 2.66 0.03 . 1 . . . A 35 ASP HB2 . 25643 1 305 . 1 1 35 35 ASP HB3 H 1 2.66 0.03 . 1 . . . A 35 ASP HB2 . 25643 1 306 . 1 1 35 35 ASP CA C 13 57.47 0.07 . 1 . . . A 35 ASP CA . 25643 1 307 . 1 1 35 35 ASP CB C 13 41.15 0.08 . 1 . . . A 35 ASP CB . 25643 1 308 . 1 1 35 35 ASP N N 15 118.15 0.07 . 1 . . . A 35 ASP N . 25643 1 309 . 1 1 36 36 GLN H H 1 7.69 0.02 . 1 . . . A 36 GLN H . 25643 1 310 . 1 1 36 36 GLN HA H 1 3.99 0.07 . 1 . . . A 36 GLN HA . 25643 1 311 . 1 1 36 36 GLN HB2 H 1 2.02 0.02 . 2 . . . A 36 GLN HB2 . 25643 1 312 . 1 1 36 36 GLN HB3 H 1 2 0.02 . 2 . . . A 36 GLN HB3 . 25643 1 313 . 1 1 36 36 GLN HE22 H 1 6.81 0.00 . 2 . . . A 36 GLN HE22 . 25643 1 314 . 1 1 36 36 GLN HE21 H 1 7.48 0.00 . 2 . . . A 36 GLN HE21 . 25643 1 315 . 1 1 36 36 GLN CA C 13 59.37 0.17 . 1 . . . A 36 GLN CA . 25643 1 316 . 1 1 36 36 GLN CB C 13 29.93 0.07 . 1 . . . A 36 GLN CB . 25643 1 317 . 1 1 36 36 GLN CG C 13 33.88 0.2 . 1 . . . A 36 GLN CG . 25643 1 318 . 1 1 36 36 GLN N N 15 118.28 0.06 . 1 . . . A 36 GLN N . 25643 1 319 . 1 1 37 37 MET H H 1 8.32 0.01 . 1 . . . A 37 MET H . 25643 1 320 . 1 1 37 37 MET HA H 1 4.26 0.04 . 1 . . . A 37 MET HA . 25643 1 321 . 1 1 37 37 MET HB2 H 1 2.18 0.05 . 1 . . . A 37 MET HB2 . 25643 1 322 . 1 1 37 37 MET HB3 H 1 2.18 0.05 . 1 . . . A 37 MET HB3 . 25643 1 323 . 1 1 37 37 MET HG2 H 1 2.37 0.05 . 2 . . . A 37 MET HG2 . 25643 1 324 . 1 1 37 37 MET HG3 H 1 2.36 0.06 . 2 . . . A 37 MET HG3 . 25643 1 325 . 1 1 37 37 MET HE1 H 1 1.81 0.02 . 1 . . . A 37 MET HE1 . 25643 1 326 . 1 1 37 37 MET HE2 H 1 1.81 0.02 . 1 . . . A 37 MET HE1 . 25643 1 327 . 1 1 37 37 MET HE3 H 1 1.81 0.02 . 1 . . . A 37 MET HE1 . 25643 1 328 . 1 1 37 37 MET CA C 13 56.6 0.08 . 1 . . . A 37 MET CA . 25643 1 329 . 1 1 37 37 MET CB C 13 29.41 0.02 . 1 . . . A 37 MET CB . 25643 1 330 . 1 1 37 37 MET CG C 13 33.88 0.06 . 1 . . . A 37 MET CG . 25643 1 331 . 1 1 37 37 MET N N 15 117.43 0.02 . 1 . . . A 37 MET N . 25643 1 332 . 1 1 38 38 GLU H H 1 8.48 0.02 . 1 . . . A 38 GLU H . 25643 1 333 . 1 1 38 38 GLU HA H 1 3.99 0.03 . 1 . . . A 38 GLU HA . 25643 1 334 . 1 1 38 38 GLU HB3 H 1 2.08 0.06 . 1 . . . A 38 GLU HB3 . 25643 1 335 . 1 1 38 38 GLU HB2 H 1 2.08 0.06 . 1 . . . A 38 GLU HB3 . 25643 1 336 . 1 1 38 38 GLU HG2 H 1 2.39 0.04 . 2 . . . A 38 GLU HG2 . 25643 1 337 . 1 1 38 38 GLU HG3 H 1 2.38 0.02 . 2 . . . A 38 GLU HG3 . 25643 1 338 . 1 1 38 38 GLU CA C 13 59.61 0.04 . 1 . . . A 38 GLU CA . 25643 1 339 . 1 1 38 38 GLU CB C 13 29.09 0.1 . 1 . . . A 38 GLU CB . 25643 1 340 . 1 1 38 38 GLU CG C 13 36.54 0.05 . 1 . . . A 38 GLU CG . 25643 1 341 . 1 1 38 38 GLU N N 15 122.27 0.03 . 1 . . . A 38 GLU N . 25643 1 342 . 1 1 39 39 ASN H H 1 7.91 0.02 . 1 . . . A 39 ASN H . 25643 1 343 . 1 1 39 39 ASN HA H 1 4.48 0.02 . 1 . . . A 39 ASN HA . 25643 1 344 . 1 1 39 39 ASN HB2 H 1 2.72 0.03 . 1 . . . A 39 ASN HB2 . 25643 1 345 . 1 1 39 39 ASN HB3 H 1 2.72 0.03 . 1 . . . A 39 ASN HB2 . 25643 1 346 . 1 1 39 39 ASN HD21 H 1 7.40 0.03 . 1 . . . A 39 ASN HD21 . 25643 1 347 . 1 1 39 39 ASN CA C 13 56.05 0.06 . 1 . . . A 39 ASN CA . 25643 1 348 . 1 1 39 39 ASN CB C 13 37.78 0 . 1 . . . A 39 ASN CB . 25643 1 349 . 1 1 39 39 ASN N N 15 119.51 0.09 . 1 . . . A 39 ASN N . 25643 1 350 . 1 1 40 40 MET H H 1 8.57 0.01 . 1 . . . A 40 MET H . 25643 1 351 . 1 1 40 40 MET HA H 1 3.81 0.03 . 1 . . . A 40 MET HA . 25643 1 352 . 1 1 40 40 MET HB2 H 1 2.27 0.03 . 2 . . . A 40 MET HB2 . 25643 1 353 . 1 1 40 40 MET HB3 H 1 2.25 0.02 . 2 . . . A 40 MET HB3 . 25643 1 354 . 1 1 40 40 MET HG2 H 1 2.59 0.02 . 1 . . . A 40 MET HG2 . 25643 1 355 . 1 1 40 40 MET HG3 H 1 2.59 0.03 . 1 . . . A 40 MET HG3 . 25643 1 356 . 1 1 40 40 MET CA C 13 59.96 0.12 . 1 . . . A 40 MET CA . 25643 1 357 . 1 1 40 40 MET CB C 13 34.01 0.11 . 1 . . . A 40 MET CB . 25643 1 358 . 1 1 40 40 MET CG C 13 34.06 0.12 . 1 . . . A 40 MET CG . 25643 1 359 . 1 1 40 40 MET N N 15 121.4 0.04 . 1 . . . A 40 MET N . 25643 1 360 . 1 1 41 41 SER H H 1 7.97 0.03 . 1 . . . A 41 SER H . 25643 1 361 . 1 1 41 41 SER CA C 13 61.85 0 . 1 . . . A 41 SER CA . 25643 1 362 . 1 1 41 41 SER N N 15 115.23 0 . 1 . . . A 41 SER N . 25643 1 363 . 1 1 42 42 LEU H H 1 8.16 0.01 . 1 . . . A 42 LEU H . 25643 1 364 . 1 1 42 42 LEU HA H 1 4.23 0.01 . 1 . . . A 42 LEU HA . 25643 1 365 . 1 1 42 42 LEU CA C 13 58.18 0 . 1 . . . A 42 LEU CA . 25643 1 366 . 1 1 42 42 LEU N N 15 123.36 0.05 . 1 . . . A 42 LEU N . 25643 1 367 . 1 1 44 44 GLY H H 1 8.62 0.03 . 1 . . . A 44 GLY H . 25643 1 368 . 1 1 44 44 GLY HA2 H 1 3.99 0.03 . 2 . . . A 44 GLY HA2 . 25643 1 369 . 1 1 44 44 GLY HA3 H 1 3.75 0.02 . 2 . . . A 44 GLY HA3 . 25643 1 370 . 1 1 44 44 GLY CA C 13 48.33 0.06 . 1 . . . A 44 GLY CA . 25643 1 371 . 1 1 44 44 GLY N N 15 108 0.04 . 1 . . . A 44 GLY N . 25643 1 372 . 1 1 45 45 ASN H H 1 8.22 0.04 . 1 . . . A 45 ASN H . 25643 1 373 . 1 1 45 45 ASN HA H 1 4.41 0.01 . 1 . . . A 45 ASN HA . 25643 1 374 . 1 1 45 45 ASN HB2 H 1 2.86 0.02 . 1 . . . A 45 ASN HB2 . 25643 1 375 . 1 1 45 45 ASN HB3 H 1 2.86 0.02 . 1 . . . A 45 ASN HB3 . 25643 1 376 . 1 1 45 45 ASN CA C 13 56.45 0.14 . 1 . . . A 45 ASN CA . 25643 1 377 . 1 1 45 45 ASN CB C 13 37.47 0.31 . 1 . . . A 45 ASN CB . 25643 1 378 . 1 1 45 45 ASN N N 15 119.28 0.14 . 1 . . . A 45 ASN N . 25643 1 379 . 1 1 46 46 THR H H 1 8.03 0.03 . 1 . . . A 46 THR H . 25643 1 380 . 1 1 46 46 THR HA H 1 4.35 0.02 . 1 . . . A 46 THR HA . 25643 1 381 . 1 1 46 46 THR HB H 1 4.22 0.02 . 1 . . . A 46 THR HB . 25643 1 382 . 1 1 46 46 THR HG21 H 1 1.04 0 . 1 . . . A 46 THR HG21 . 25643 1 383 . 1 1 46 46 THR HG22 H 1 1.04 0 . 1 . . . A 46 THR HG21 . 25643 1 384 . 1 1 46 46 THR HG23 H 1 1.04 0 . 1 . . . A 46 THR HG21 . 25643 1 385 . 1 1 46 46 THR CA C 13 62.54 0.13 . 1 . . . A 46 THR CA . 25643 1 386 . 1 1 46 46 THR CB C 13 69.95 0.11 . 1 . . . A 46 THR CB . 25643 1 387 . 1 1 46 46 THR CG2 C 13 21.77 0.02 . 1 . . . A 46 THR CG2 . 25643 1 388 . 1 1 46 46 THR N N 15 117.95 0.09 . 1 . . . A 46 THR N . 25643 1 389 . 1 1 47 47 LEU H H 1 7.91 0.07 . 1 . . . A 47 LEU H . 25643 1 390 . 1 1 47 47 LEU HB2 H 1 1.55 0.04 . 1 . . . A 47 LEU HB2 . 25643 1 391 . 1 1 47 47 LEU HB3 H 1 1.55 0.03 . 1 . . . A 47 LEU HB3 . 25643 1 392 . 1 1 47 47 LEU CA C 13 55.33 0 . 1 . . . A 47 LEU CA . 25643 1 393 . 1 1 47 47 LEU CB C 13 41.99 0.09 . 1 . . . A 47 LEU CB . 25643 1 394 . 1 1 47 47 LEU N N 15 122.19 0.01 . 1 . . . A 47 LEU N . 25643 1 395 . 1 1 48 48 MET H H 1 8.25 0.02 . 1 . . . A 48 MET H . 25643 1 396 . 1 1 48 48 MET HA H 1 4.12 0.01 . 1 . . . A 48 MET HA . 25643 1 397 . 1 1 48 48 MET HB2 H 1 1.89 0.05 . 1 . . . A 48 MET HB2 . 25643 1 398 . 1 1 48 48 MET HB3 H 1 1.89 0.05 . 1 . . . A 48 MET HB3 . 25643 1 399 . 1 1 48 48 MET CA C 13 59.23 0.03 . 1 . . . A 48 MET CA . 25643 1 400 . 1 1 48 48 MET CB C 13 34.19 0 . 1 . . . A 48 MET CB . 25643 1 401 . 1 1 48 48 MET N N 15 124.7 0.02 . 1 . . . A 48 MET N . 25643 1 402 . 1 1 49 49 ALA H H 1 8.18 0.01 . 1 . . . A 49 ALA H . 25643 1 403 . 1 1 49 49 ALA HA H 1 4.17 0 . 1 . . . A 49 ALA HA . 25643 1 404 . 1 1 49 49 ALA HB1 H 1 1.46 0 . 1 . . . A 49 ALA HB1 . 25643 1 405 . 1 1 49 49 ALA HB2 H 1 1.46 0 . 1 . . . A 49 ALA HB1 . 25643 1 406 . 1 1 49 49 ALA HB3 H 1 1.46 0 . 1 . . . A 49 ALA HB1 . 25643 1 407 . 1 1 49 49 ALA CA C 13 52.59 0.02 . 1 . . . A 49 ALA CA . 25643 1 408 . 1 1 49 49 ALA CB C 13 19.44 0 . 1 . . . A 49 ALA CB . 25643 1 409 . 1 1 50 50 ALA H H 1 7.86 0.01 . 1 . . . A 50 ALA H . 25643 1 410 . 1 1 50 50 ALA HA H 1 4.14 0.03 . 1 . . . A 50 ALA HA . 25643 1 411 . 1 1 50 50 ALA HB1 H 1 1.37 0.01 . 1 . . . A 50 ALA HB1 . 25643 1 412 . 1 1 50 50 ALA HB2 H 1 1.37 0.01 . 1 . . . A 50 ALA HB1 . 25643 1 413 . 1 1 50 50 ALA HB3 H 1 1.37 0.01 . 1 . . . A 50 ALA HB1 . 25643 1 414 . 1 1 50 50 ALA CA C 13 54.85 0.04 . 1 . . . A 50 ALA CA . 25643 1 415 . 1 1 50 50 ALA CB C 13 18.14 0 . 1 . . . A 50 ALA CB . 25643 1 416 . 1 1 50 50 ALA N N 15 123.32 0.02 . 1 . . . A 50 ALA N . 25643 1 417 . 1 1 51 51 MET H H 1 8.39 0.02 . 1 . . . A 51 MET H . 25643 1 418 . 1 1 51 51 MET HA H 1 4.39 0 . 1 . . . A 51 MET HA . 25643 1 419 . 1 1 51 51 MET HB2 H 1 1.93 0 . 1 . . . A 51 MET HB2 . 25643 1 420 . 1 1 51 51 MET HB3 H 1 1.93 0 . 1 . . . A 51 MET HB3 . 25643 1 421 . 1 1 51 51 MET HE1 H 1 1.84 0 . 1 . . . A 51 MET HE1 . 25643 1 422 . 1 1 51 51 MET HE2 H 1 1.84 0 . 1 . . . A 51 MET HE1 . 25643 1 423 . 1 1 51 51 MET HE3 H 1 1.84 0 . 1 . . . A 51 MET HE1 . 25643 1 424 . 1 1 51 51 MET CA C 13 59.58 0.06 . 1 . . . A 51 MET CA . 25643 1 425 . 1 1 51 51 MET CB C 13 29.03 0.01 . 1 . . . A 51 MET CB . 25643 1 426 . 1 1 51 51 MET N N 15 119.32 0.11 . 1 . . . A 51 MET N . 25643 1 427 . 1 1 52 52 ASP H H 1 7.86 0.02 . 1 . . . A 52 ASP H . 25643 1 428 . 1 1 52 52 ASP HA H 1 4.46 0.03 . 1 . . . A 52 ASP HA . 25643 1 429 . 1 1 52 52 ASP HB2 H 1 2.68 0.03 . 1 . . . A 52 ASP HB2 . 25643 1 430 . 1 1 52 52 ASP HB3 H 1 2.68 0.03 . 1 . . . A 52 ASP HB3 . 25643 1 431 . 1 1 52 52 ASP CA C 13 56.66 0.21 . 1 . . . A 52 ASP CA . 25643 1 432 . 1 1 52 52 ASP CB C 13 40.86 0.08 . 1 . . . A 52 ASP CB . 25643 1 433 . 1 1 52 52 ASP N N 15 119.99 0.03 . 1 . . . A 52 ASP N . 25643 1 434 . 1 1 53 53 ASN H H 1 7.85 0.02 . 1 . . . A 53 ASN H . 25643 1 435 . 1 1 53 53 ASN HA H 1 4.62 0.04 . 1 . . . A 53 ASN HA . 25643 1 436 . 1 1 53 53 ASN HB2 H 1 2.67 0.03 . 1 . . . A 53 ASN HB2 . 25643 1 437 . 1 1 53 53 ASN HB3 H 1 2.67 0.03 . 1 . . . A 53 ASN HB3 . 25643 1 438 . 1 1 53 53 ASN HD21 H 1 7.54 0.00 . 1 . . . A 53 ASN HD21 . 25643 1 439 . 1 1 53 53 ASN HD22 H 1 6.85 0.00 . 1 . . . A 53 ASN HD22 . 25643 1 440 . 1 1 53 53 ASN CA C 13 54.4 0.1 . 1 . . . A 53 ASN CA . 25643 1 441 . 1 1 53 53 ASN CB C 13 39.16 0.09 . 1 . . . A 53 ASN CB . 25643 1 442 . 1 1 53 53 ASN N N 15 117.48 0.04 . 1 . . . A 53 ASN N . 25643 1 443 . 1 1 54 54 MET H H 1 7.78 0.02 . 1 . . . A 54 MET H . 25643 1 444 . 1 1 54 54 MET HA H 1 4.25 0.02 . 1 . . . A 54 MET HA . 25643 1 445 . 1 1 54 54 MET HB2 H 1 2.07 0.02 . 2 . . . A 54 MET HB2 . 25643 1 446 . 1 1 54 54 MET HB3 H 1 2.06 0.01 . 2 . . . A 54 MET HB3 . 25643 1 447 . 1 1 54 54 MET HG2 H 1 2.51 0.02 . 2 . . . A 54 MET HG2 . 25643 1 448 . 1 1 54 54 MET HG3 H 1 2.64 0.02 . 2 . . . A 54 MET HG3 . 25643 1 449 . 1 1 54 54 MET HE1 H 1 1.95 0.01 . 1 . . . A 54 MET HE1 . 25643 1 450 . 1 1 54 54 MET HE2 H 1 1.95 0.01 . 1 . . . A 54 MET HE1 . 25643 1 451 . 1 1 54 54 MET HE3 H 1 1.95 0.01 . 1 . . . A 54 MET HE1 . 25643 1 452 . 1 1 54 54 MET CA C 13 57.25 0.16 . 1 . . . A 54 MET CA . 25643 1 453 . 1 1 54 54 MET CB C 13 33.18 0.19 . 1 . . . A 54 MET CB . 25643 1 454 . 1 1 54 54 MET CG C 13 32.55 0.1 . 1 . . . A 54 MET CG . 25643 1 455 . 1 1 54 54 MET CE C 13 17.63 0.2 . 1 . . . A 54 MET CE . 25643 1 456 . 1 1 54 54 MET N N 15 118.52 0.06 . 1 . . . A 54 MET N . 25643 1 457 . 1 1 55 55 GLY H H 1 7.98 0.01 . 1 . . . A 55 GLY H . 25643 1 458 . 1 1 55 55 GLY HA2 H 1 3.89 0.03 . 2 . . . A 55 GLY HA2 . 25643 1 459 . 1 1 55 55 GLY HA3 H 1 3.9 0.04 . 2 . . . A 55 GLY HA3 . 25643 1 460 . 1 1 55 55 GLY CA C 13 46.27 0.06 . 1 . . . A 55 GLY CA . 25643 1 461 . 1 1 55 55 GLY N N 15 107.55 0.06 . 1 . . . A 55 GLY N . 25643 1 462 . 1 1 56 56 GLY H H 1 8.38 0.01 . 1 . . . A 56 GLY H . 25643 1 463 . 1 1 56 56 GLY HA2 H 1 3.93 0.04 . 2 . . . A 56 GLY HA2 . 25643 1 464 . 1 1 56 56 GLY HA3 H 1 3.9 0.05 . 2 . . . A 56 GLY HA3 . 25643 1 465 . 1 1 56 56 GLY CA C 13 45.44 0.15 . 1 . . . A 56 GLY CA . 25643 1 466 . 1 1 56 56 GLY N N 15 107.94 0.03 . 1 . . . A 56 GLY N . 25643 1 467 . 1 1 57 57 ARG H H 1 7.82 0.01 . 1 . . . A 57 ARG H . 25643 1 468 . 1 1 57 57 ARG HA H 1 4.42 0.03 . 1 . . . A 57 ARG HA . 25643 1 469 . 1 1 57 57 ARG HB2 H 1 1.75 0.05 . 2 . . . A 57 ARG HB2 . 25643 1 470 . 1 1 57 57 ARG HB3 H 1 1.73 0.04 . 2 . . . A 57 ARG HB3 . 25643 1 471 . 1 1 57 57 ARG HG2 H 1 1.5 0.03 . 2 . . . A 57 ARG HG2 . 25643 1 472 . 1 1 57 57 ARG HG3 H 1 1.55 0.03 . 2 . . . A 57 ARG HG3 . 25643 1 473 . 1 1 57 57 ARG HD2 H 1 3.15 0.02 . 1 . . . A 57 ARG HD2 . 25643 1 474 . 1 1 57 57 ARG HD3 H 1 3.15 0.02 . 1 . . . A 57 ARG HD3 . 25643 1 475 . 1 1 57 57 ARG CA C 13 55.31 0.06 . 1 . . . A 57 ARG CA . 25643 1 476 . 1 1 57 57 ARG CB C 13 30.33 0.12 . 1 . . . A 57 ARG CB . 25643 1 477 . 1 1 57 57 ARG CG C 13 27.13 0.07 . 1 . . . A 57 ARG CG . 25643 1 478 . 1 1 57 57 ARG CD C 13 43.42 0.09 . 1 . . . A 57 ARG CD . 25643 1 479 . 1 1 57 57 ARG N N 15 121.29 0.09 . 1 . . . A 57 ARG N . 25643 1 480 . 1 1 58 58 ILE H H 1 8.34 0.02 . 1 . . . A 58 ILE H . 25643 1 481 . 1 1 58 58 ILE HA H 1 3.98 0.03 . 1 . . . A 58 ILE HA . 25643 1 482 . 1 1 58 58 ILE HB H 1 1.8 0.03 . 1 . . . A 58 ILE HB . 25643 1 483 . 1 1 58 58 ILE HG13 H 1 1.15 0.02 . 1 . . . A 58 ILE HG13 . 25643 1 484 . 1 1 58 58 ILE HG12 H 1 1.15 0.02 . 1 . . . A 58 ILE HG13 . 25643 1 485 . 1 1 58 58 ILE HG21 H 1 0.8 0.03 . 1 . . . A 58 ILE HG21 . 25643 1 486 . 1 1 58 58 ILE HG22 H 1 0.8 0.03 . 1 . . . A 58 ILE HG21 . 25643 1 487 . 1 1 58 58 ILE HG23 H 1 0.8 0.03 . 1 . . . A 58 ILE HG21 . 25643 1 488 . 1 1 58 58 ILE HD11 H 1 0.81 0.02 . 1 . . . A 58 ILE HD11 . 25643 1 489 . 1 1 58 58 ILE HD12 H 1 0.81 0.02 . 1 . . . A 58 ILE HD11 . 25643 1 490 . 1 1 58 58 ILE HD13 H 1 0.81 0.02 . 1 . . . A 58 ILE HD11 . 25643 1 491 . 1 1 58 58 ILE CA C 13 62.09 0.09 . 1 . . . A 58 ILE CA . 25643 1 492 . 1 1 58 58 ILE CB C 13 37.88 0.14 . 1 . . . A 58 ILE CB . 25643 1 493 . 1 1 58 58 ILE CG1 C 13 27.83 0.05 . 1 . . . A 58 ILE CG1 . 25643 1 494 . 1 1 58 58 ILE CG2 C 13 18.03 0.11 . 1 . . . A 58 ILE CG2 . 25643 1 495 . 1 1 58 58 ILE CD1 C 13 12.92 0.07 . 1 . . . A 58 ILE CD1 . 25643 1 496 . 1 1 58 58 ILE N N 15 124.37 0.03 . 1 . . . A 58 ILE N . 25643 1 497 . 1 1 59 59 THR H H 1 6.79 0.01 . 1 . . . A 59 THR H . 25643 1 498 . 1 1 59 59 THR HA H 1 4.77 0.03 . 1 . . . A 59 THR HA . 25643 1 499 . 1 1 59 59 THR HB H 1 3.98 0.01 . 1 . . . A 59 THR HB . 25643 1 500 . 1 1 59 59 THR HG21 H 1 0.85 0.04 . 1 . . . A 59 THR HG21 . 25643 1 501 . 1 1 59 59 THR HG22 H 1 0.85 0.04 . 1 . . . A 59 THR HG21 . 25643 1 502 . 1 1 59 59 THR HG23 H 1 0.85 0.04 . 1 . . . A 59 THR HG21 . 25643 1 503 . 1 1 59 59 THR CA C 13 58.63 0.1 . 1 . . . A 59 THR CA . 25643 1 504 . 1 1 59 59 THR CB C 13 69.27 0 . 1 . . . A 59 THR CB . 25643 1 505 . 1 1 59 59 THR CG2 C 13 22.14 0 . 1 . . . A 59 THR CG2 . 25643 1 506 . 1 1 59 59 THR N N 15 116.58 0.04 . 1 . . . A 59 THR N . 25643 1 507 . 1 1 61 61 SER HA H 1 4.29 0 . 1 . . . A 61 SER HA . 25643 1 508 . 1 1 61 61 SER CA C 13 61.13 0 . 1 . . . A 61 SER CA . 25643 1 509 . 1 1 62 62 LYS H H 1 7.58 0 . 1 . . . A 62 LYS H . 25643 1 510 . 1 1 62 62 LYS CA C 13 59.7 0 . 1 . . . A 62 LYS CA . 25643 1 511 . 1 1 62 62 LYS N N 15 124.45 0.05 . 1 . . . A 62 LYS N . 25643 1 512 . 1 1 63 63 LEU H H 1 7.83 0.01 . 1 . . . A 63 LEU H . 25643 1 513 . 1 1 63 63 LEU HA H 1 3.92 0.03 . 1 . . . A 63 LEU HA . 25643 1 514 . 1 1 63 63 LEU HB2 H 1 1.84 0.03 . 2 . . . A 63 LEU HB2 . 25643 1 515 . 1 1 63 63 LEU HB3 H 1 1.78 0.08 . 2 . . . A 63 LEU HB3 . 25643 1 516 . 1 1 63 63 LEU HD11 H 1 0.87 0.04 . 1 . . . A 63 LEU HD11 . 25643 1 517 . 1 1 63 63 LEU HD12 H 1 0.87 0.04 . 1 . . . A 63 LEU HD11 . 25643 1 518 . 1 1 63 63 LEU HD13 H 1 0.87 0.04 . 1 . . . A 63 LEU HD11 . 25643 1 519 . 1 1 63 63 LEU HD21 H 1 0.87 0.04 . 1 . . . A 63 LEU HD11 . 25643 1 520 . 1 1 63 63 LEU HD22 H 1 0.87 0.04 . 1 . . . A 63 LEU HD11 . 25643 1 521 . 1 1 63 63 LEU HD23 H 1 0.87 0.04 . 1 . . . A 63 LEU HD11 . 25643 1 522 . 1 1 63 63 LEU CA C 13 58.27 0.03 . 1 . . . A 63 LEU CA . 25643 1 523 . 1 1 63 63 LEU CB C 13 41.22 0.11 . 1 . . . A 63 LEU CB . 25643 1 524 . 1 1 63 63 LEU CG C 13 25.7 0.18 . 1 . . . A 63 LEU CG . 25643 1 525 . 1 1 63 63 LEU CD1 C 13 23.95 0.13 . 2 . . . A 63 LEU CD1 . 25643 1 526 . 1 1 63 63 LEU CD2 C 13 23.83 0.04 . 2 . . . A 63 LEU CD2 . 25643 1 527 . 1 1 63 63 LEU N N 15 118.1 0.1 . 1 . . . A 63 LEU N . 25643 1 528 . 1 1 64 64 GLN H H 1 7.84 0.01 . 1 . . . A 64 GLN H . 25643 1 529 . 1 1 64 64 GLN HA H 1 4.07 0.03 . 1 . . . A 64 GLN HA . 25643 1 530 . 1 1 64 64 GLN HB2 H 1 2.14 0 . 2 . . . A 64 GLN HB2 . 25643 1 531 . 1 1 64 64 GLN HB3 H 1 2.06 0 . 2 . . . A 64 GLN HB3 . 25643 1 532 . 1 1 64 64 GLN HG2 H 1 2.32 0 . 1 . . . A 64 GLN HG2 . 25643 1 533 . 1 1 64 64 GLN HG3 H 1 2.32 0 . 1 . . . A 64 GLN HG2 . 25643 1 534 . 1 1 64 64 GLN HE21 H 1 7.38 0 . 1 . . . A 64 GLN HE21 . 25643 1 535 . 1 1 64 64 GLN HE22 H 1 6.77 0 . 1 . . . A 64 GLN HE22 . 25643 1 536 . 1 1 64 64 GLN CA C 13 58.85 0.04 . 1 . . . A 64 GLN CA . 25643 1 537 . 1 1 64 64 GLN CB C 13 28.71 0.04 . 1 . . . A 64 GLN CB . 25643 1 538 . 1 1 64 64 GLN CG C 13 34.20 0.00 . 1 . . . A 64 GLN CG . 25643 1 539 . 1 1 64 64 GLN N N 15 116.98 0.04 . 1 . . . A 64 GLN N . 25643 1 540 . 1 1 65 65 ALA H H 1 7.51 0.01 . 1 . . . A 65 ALA H . 25643 1 541 . 1 1 65 65 ALA HA H 1 4.04 0.04 . 1 . . . A 65 ALA HA . 25643 1 542 . 1 1 65 65 ALA HB1 H 1 1.38 0.03 . 1 . . . A 65 ALA HB1 . 25643 1 543 . 1 1 65 65 ALA HB2 H 1 1.38 0.03 . 1 . . . A 65 ALA HB1 . 25643 1 544 . 1 1 65 65 ALA HB3 H 1 1.38 0.03 . 1 . . . A 65 ALA HB1 . 25643 1 545 . 1 1 65 65 ALA CA C 13 55.27 0.08 . 1 . . . A 65 ALA CA . 25643 1 546 . 1 1 65 65 ALA CB C 13 17.7 0.17 . 1 . . . A 65 ALA CB . 25643 1 547 . 1 1 65 65 ALA N N 15 121.53 0.04 . 1 . . . A 65 ALA N . 25643 1 548 . 1 1 66 66 LEU H H 1 7.66 0.01 . 1 . . . A 66 LEU H . 25643 1 549 . 1 1 66 66 LEU HA H 1 3.6 0.04 . 1 . . . A 66 LEU HA . 25643 1 550 . 1 1 66 66 LEU HB2 H 1 1.35 0.04 . 1 . . . A 66 LEU HB2 . 25643 1 551 . 1 1 66 66 LEU HB3 H 1 1.35 0.04 . 1 . . . A 66 LEU HB3 . 25643 1 552 . 1 1 66 66 LEU HG H 1 1.45 0.03 . 1 . . . A 66 LEU HG . 25643 1 553 . 1 1 66 66 LEU HD21 H 1 0.51 0.03 . 1 . . . A 66 LEU HD21 . 25643 1 554 . 1 1 66 66 LEU HD22 H 1 0.51 0.03 . 1 . . . A 66 LEU HD21 . 25643 1 555 . 1 1 66 66 LEU HD23 H 1 0.51 0.03 . 1 . . . A 66 LEU HD21 . 25643 1 556 . 1 1 66 66 LEU HD11 H 1 0.51 0.03 . 1 . . . A 66 LEU HD21 . 25643 1 557 . 1 1 66 66 LEU HD12 H 1 0.51 0.03 . 1 . . . A 66 LEU HD21 . 25643 1 558 . 1 1 66 66 LEU HD13 H 1 0.51 0.03 . 1 . . . A 66 LEU HD21 . 25643 1 559 . 1 1 66 66 LEU CA C 13 58.03 0.06 . 1 . . . A 66 LEU CA . 25643 1 560 . 1 1 66 66 LEU CB C 13 39.95 0.08 . 1 . . . A 66 LEU CB . 25643 1 561 . 1 1 66 66 LEU CG C 13 26.69 0.17 . 1 . . . A 66 LEU CG . 25643 1 562 . 1 1 66 66 LEU CD2 C 13 22.5 0.14 . 1 . . . A 66 LEU CD2 . 25643 1 563 . 1 1 66 66 LEU CD1 C 13 22.5 0.14 . 1 . . . A 66 LEU CD2 . 25643 1 564 . 1 1 67 67 ASP H H 1 8.47 0.01 . 1 . . . A 67 ASP H . 25643 1 565 . 1 1 67 67 ASP HA H 1 4.41 0.02 . 1 . . . A 67 ASP HA . 25643 1 566 . 1 1 67 67 ASP HB2 H 1 2.59 0.02 . 2 . . . A 67 ASP HB2 . 25643 1 567 . 1 1 67 67 ASP HB3 H 1 2.64 0.05 . 2 . . . A 67 ASP HB3 . 25643 1 568 . 1 1 67 67 ASP CA C 13 58.34 0.03 . 1 . . . A 67 ASP CA . 25643 1 569 . 1 1 67 67 ASP CB C 13 40.74 0.06 . 1 . . . A 67 ASP CB . 25643 1 570 . 1 1 67 67 ASP N N 15 119.37 0.05 . 1 . . . A 67 ASP N . 25643 1 571 . 1 1 68 68 MET H H 1 7.98 0.01 . 1 . . . A 68 MET H . 25643 1 572 . 1 1 68 68 MET HA H 1 3.78 0.01 . 1 . . . A 68 MET HA . 25643 1 573 . 1 1 68 68 MET CA C 13 57.89 0 . 1 . . . A 68 MET CA . 25643 1 574 . 1 1 68 68 MET N N 15 116.88 0.02 . 1 . . . A 68 MET N . 25643 1 575 . 1 1 69 69 ALA H H 1 8.3 0.02 . 1 . . . A 69 ALA H . 25643 1 576 . 1 1 69 69 ALA HA H 1 4.08 0.03 . 1 . . . A 69 ALA HA . 25643 1 577 . 1 1 69 69 ALA HB1 H 1 1.33 0.02 . 1 . . . A 69 ALA HB1 . 25643 1 578 . 1 1 69 69 ALA HB2 H 1 1.33 0.02 . 1 . . . A 69 ALA HB1 . 25643 1 579 . 1 1 69 69 ALA HB3 H 1 1.33 0.02 . 1 . . . A 69 ALA HB1 . 25643 1 580 . 1 1 69 69 ALA CA C 13 55.24 0.11 . 1 . . . A 69 ALA CA . 25643 1 581 . 1 1 69 69 ALA CB C 13 17.63 0.06 . 1 . . . A 69 ALA CB . 25643 1 582 . 1 1 69 69 ALA N N 15 125.04 0.05 . 1 . . . A 69 ALA N . 25643 1 583 . 1 1 70 70 PHE H H 1 8.49 0.01 . 1 . . . A 70 PHE H . 25643 1 584 . 1 1 70 70 PHE HA H 1 3.93 0.02 . 1 . . . A 70 PHE HA . 25643 1 585 . 1 1 70 70 PHE HB2 H 1 3.39 0.03 . 2 . . . A 70 PHE HB2 . 25643 1 586 . 1 1 70 70 PHE HB3 H 1 3.16 0.03 . 2 . . . A 70 PHE HB3 . 25643 1 587 . 1 1 70 70 PHE HD1 H 1 7.15 0.02 . 1 . . . A 70 PHE HD1 . 25643 1 588 . 1 1 70 70 PHE HD2 H 1 7.15 0.02 . 1 . . . A 70 PHE HD2 . 25643 1 589 . 1 1 70 70 PHE HE1 H 1 6.9 0.01 . 1 . . . A 70 PHE HE1 . 25643 1 590 . 1 1 70 70 PHE HE2 H 1 6.9 0.01 . 1 . . . A 70 PHE HE2 . 25643 1 591 . 1 1 70 70 PHE HZ H 1 6.08 0.01 . 1 . . . A 70 PHE HZ . 25643 1 592 . 1 1 70 70 PHE CA C 13 62.04 0.1 . 1 . . . A 70 PHE CA . 25643 1 593 . 1 1 70 70 PHE CB C 13 39.82 0.06 . 1 . . . A 70 PHE CB . 25643 1 594 . 1 1 70 70 PHE CD1 C 13 131.78 0 . 1 . . . A 70 PHE CD1 . 25643 1 595 . 1 1 70 70 PHE CD2 C 13 131.78 0 . 1 . . . A 70 PHE CD2 . 25643 1 596 . 1 1 70 70 PHE CE1 C 13 130.11 0.08 . 1 . . . A 70 PHE CE1 . 25643 1 597 . 1 1 70 70 PHE CE2 C 13 130.11 0.08 . 1 . . . A 70 PHE CE2 . 25643 1 598 . 1 1 70 70 PHE CZ C 13 129.55 0.07 . 1 . . . A 70 PHE CZ . 25643 1 599 . 1 1 70 70 PHE N N 15 118.72 0.06 . 1 . . . A 70 PHE N . 25643 1 600 . 1 1 71 71 ALA H H 1 8.97 0.02 . 1 . . . A 71 ALA H . 25643 1 601 . 1 1 71 71 ALA HA H 1 3.59 0.02 . 1 . . . A 71 ALA HA . 25643 1 602 . 1 1 71 71 ALA HB1 H 1 1.38 0.06 . 1 . . . A 71 ALA HB1 . 25643 1 603 . 1 1 71 71 ALA HB2 H 1 1.38 0.06 . 1 . . . A 71 ALA HB1 . 25643 1 604 . 1 1 71 71 ALA HB3 H 1 1.38 0.06 . 1 . . . A 71 ALA HB1 . 25643 1 605 . 1 1 71 71 ALA CA C 13 55.52 0.08 . 1 . . . A 71 ALA CA . 25643 1 606 . 1 1 71 71 ALA CB C 13 19.66 0.06 . 1 . . . A 71 ALA CB . 25643 1 607 . 1 1 71 71 ALA N N 15 119.68 0.04 . 1 . . . A 71 ALA N . 25643 1 608 . 1 1 72 72 SER H H 1 8.56 0.01 . 1 . . . A 72 SER H . 25643 1 609 . 1 1 72 72 SER HA H 1 4.05 0.02 . 1 . . . A 72 SER HA . 25643 1 610 . 1 1 72 72 SER HB2 H 1 3.82 0.03 . 2 . . . A 72 SER HB2 . 25643 1 611 . 1 1 72 72 SER HB3 H 1 3.81 0.01 . 2 . . . A 72 SER HB3 . 25643 1 612 . 1 1 72 72 SER CA C 13 62.46 0.16 . 1 . . . A 72 SER CA . 25643 1 613 . 1 1 72 72 SER CB C 13 62.43 0.17 . 1 . . . A 72 SER CB . 25643 1 614 . 1 1 72 72 SER N N 15 110.85 0.04 . 1 . . . A 72 SER N . 25643 1 615 . 1 1 73 73 SER H H 1 7.39 0.03 . 1 . . . A 73 SER H . 25643 1 616 . 1 1 73 73 SER HA H 1 4.1 0.03 . 1 . . . A 73 SER HA . 25643 1 617 . 1 1 73 73 SER HB2 H 1 3.68 0.03 . 2 . . . A 73 SER HB2 . 25643 1 618 . 1 1 73 73 SER HB3 H 1 3.8 0.03 . 2 . . . A 73 SER HB3 . 25643 1 619 . 1 1 73 73 SER CA C 13 62.77 0.14 . 1 . . . A 73 SER CA . 25643 1 620 . 1 1 73 73 SER CB C 13 62.98 0.09 . 1 . . . A 73 SER CB . 25643 1 621 . 1 1 73 73 SER N N 15 117.78 0.04 . 1 . . . A 73 SER N . 25643 1 622 . 1 1 74 74 VAL H H 1 7.98 0.05 . 1 . . . A 74 VAL H . 25643 1 623 . 1 1 74 74 VAL HA H 1 3.38 0.02 . 1 . . . A 74 VAL HA . 25643 1 624 . 1 1 74 74 VAL HB H 1 1.67 0.03 . 1 . . . A 74 VAL HB . 25643 1 625 . 1 1 74 74 VAL HG11 H 1 0.26 0 . 2 . . . A 74 VAL HG11 . 25643 1 626 . 1 1 74 74 VAL HG12 H 1 0.26 0 . 2 . . . A 74 VAL HG11 . 25643 1 627 . 1 1 74 74 VAL HG13 H 1 0.26 0 . 2 . . . A 74 VAL HG11 . 25643 1 628 . 1 1 74 74 VAL HG21 H 1 0.41 0.17 . 2 . . . A 74 VAL HG21 . 25643 1 629 . 1 1 74 74 VAL HG22 H 1 0.41 0.17 . 2 . . . A 74 VAL HG21 . 25643 1 630 . 1 1 74 74 VAL HG23 H 1 0.41 0.17 . 2 . . . A 74 VAL HG21 . 25643 1 631 . 1 1 74 74 VAL CA C 13 66.8 0.07 . 1 . . . A 74 VAL CA . 25643 1 632 . 1 1 74 74 VAL CB C 13 31.12 0.07 . 1 . . . A 74 VAL CB . 25643 1 633 . 1 1 74 74 VAL CG2 C 13 22.47 0.23 . 1 . . . A 74 VAL CG2 . 25643 1 634 . 1 1 74 74 VAL CG1 C 13 22.47 0.23 . 1 . . . A 74 VAL CG2 . 25643 1 635 . 1 1 74 74 VAL N N 15 120.39 0.05 . 1 . . . A 74 VAL N . 25643 1 636 . 1 1 75 75 ALA H H 1 8.38 0.03 . 1 . . . A 75 ALA H . 25643 1 637 . 1 1 75 75 ALA HA H 1 3.85 0.03 . 1 . . . A 75 ALA HA . 25643 1 638 . 1 1 75 75 ALA HB1 H 1 1.38 0.05 . 1 . . . A 75 ALA HB1 . 25643 1 639 . 1 1 75 75 ALA HB2 H 1 1.38 0.05 . 1 . . . A 75 ALA HB1 . 25643 1 640 . 1 1 75 75 ALA HB3 H 1 1.38 0.05 . 1 . . . A 75 ALA HB1 . 25643 1 641 . 1 1 75 75 ALA CA C 13 55.33 0.14 . 1 . . . A 75 ALA CA . 25643 1 642 . 1 1 75 75 ALA CB C 13 17.98 0.09 . 1 . . . A 75 ALA CB . 25643 1 643 . 1 1 75 75 ALA N N 15 121.42 0.04 . 1 . . . A 75 ALA N . 25643 1 644 . 1 1 76 76 GLN H H 1 8.89 0.01 . 1 . . . A 76 GLN H . 25643 1 645 . 1 1 76 76 GLN HA H 1 4.08 0.03 . 1 . . . A 76 GLN HA . 25643 1 646 . 1 1 76 76 GLN HB2 H 1 2.2 0 . 1 . . . A 76 GLN HB2 . 25643 1 647 . 1 1 76 76 GLN HB3 H 1 2.2 0 . 1 . . . A 76 GLN HB3 . 25643 1 648 . 1 1 76 76 GLN HG2 H 1 2.27 0.03 . 1 . . . A 76 GLN HG2 . 25643 1 649 . 1 1 76 76 GLN HG3 H 1 2.27 0.03 . 1 . . . A 76 GLN HG3 . 25643 1 650 . 1 1 76 76 GLN HE21 H 1 7.39 0.00 . 1 . . . A 76 GLN HE21 . 25643 1 651 . 1 1 76 76 GLN HE22 H 1 6.77 0.00 . 1 . . . A 76 GLN HE22 . 25643 1 652 . 1 1 76 76 GLN CA C 13 57.91 0.05 . 1 . . . A 76 GLN CA . 25643 1 653 . 1 1 76 76 GLN CB C 13 29.76 0.00 . 1 . . . A 76 GLN CB . 25643 1 654 . 1 1 76 76 GLN CG C 13 34.64 0.00 . 1 . . . A 76 GLN CG . 25643 1 655 . 1 1 76 76 GLN N N 15 118.53 0.03 . 1 . . . A 76 GLN N . 25643 1 656 . 1 1 77 77 ILE H H 1 7.33 0.03 . 1 . . . A 77 ILE H . 25643 1 657 . 1 1 77 77 ILE HA H 1 3.65 0.02 . 1 . . . A 77 ILE HA . 25643 1 658 . 1 1 77 77 ILE HB H 1 1.79 0.03 . 1 . . . A 77 ILE HB . 25643 1 659 . 1 1 77 77 ILE HG12 H 1 1.03 0.02 . 1 . . . A 77 ILE HG12 . 25643 1 660 . 1 1 77 77 ILE HG13 H 1 1.03 0.02 . 1 . . . A 77 ILE HG13 . 25643 1 661 . 1 1 77 77 ILE HG21 H 1 0.86 0.06 . 1 . . . A 77 ILE HG21 . 25643 1 662 . 1 1 77 77 ILE HG22 H 1 0.86 0.06 . 1 . . . A 77 ILE HG21 . 25643 1 663 . 1 1 77 77 ILE HG23 H 1 0.86 0.06 . 1 . . . A 77 ILE HG21 . 25643 1 664 . 1 1 77 77 ILE HD11 H 1 0.6 0.05 . 1 . . . A 77 ILE HD11 . 25643 1 665 . 1 1 77 77 ILE HD12 H 1 0.6 0.05 . 1 . . . A 77 ILE HD11 . 25643 1 666 . 1 1 77 77 ILE HD13 H 1 0.6 0.05 . 1 . . . A 77 ILE HD11 . 25643 1 667 . 1 1 77 77 ILE CA C 13 64.5 0.13 . 1 . . . A 77 ILE CA . 25643 1 668 . 1 1 77 77 ILE CB C 13 38.41 0.15 . 1 . . . A 77 ILE CB . 25643 1 669 . 1 1 77 77 ILE CG1 C 13 28.72 0.14 . 1 . . . A 77 ILE CG1 . 25643 1 670 . 1 1 77 77 ILE CG2 C 13 17.74 0.13 . 1 . . . A 77 ILE CG2 . 25643 1 671 . 1 1 77 77 ILE CD1 C 13 14.04 0.09 . 1 . . . A 77 ILE CD1 . 25643 1 672 . 1 1 78 78 ALA H H 1 8.53 0.04 . 1 . . . A 78 ALA H . 25643 1 673 . 1 1 78 78 ALA HA H 1 3.93 0.04 . 1 . . . A 78 ALA HA . 25643 1 674 . 1 1 78 78 ALA HB1 H 1 1.39 0.03 . 1 . . . A 78 ALA HB1 . 25643 1 675 . 1 1 78 78 ALA HB2 H 1 1.39 0.03 . 1 . . . A 78 ALA HB1 . 25643 1 676 . 1 1 78 78 ALA HB3 H 1 1.39 0.03 . 1 . . . A 78 ALA HB1 . 25643 1 677 . 1 1 78 78 ALA CA C 13 55.19 0.09 . 1 . . . A 78 ALA CA . 25643 1 678 . 1 1 78 78 ALA CB C 13 18.68 0.17 . 1 . . . A 78 ALA CB . 25643 1 679 . 1 1 78 78 ALA N N 15 122.51 0.04 . 1 . . . A 78 ALA N . 25643 1 680 . 1 1 79 79 ALA H H 1 8.04 0.01 . 1 . . . A 79 ALA H . 25643 1 681 . 1 1 79 79 ALA HA H 1 4.24 0.02 . 1 . . . A 79 ALA HA . 25643 1 682 . 1 1 79 79 ALA HB1 H 1 1.45 0.03 . 1 . . . A 79 ALA HB1 . 25643 1 683 . 1 1 79 79 ALA HB2 H 1 1.45 0.03 . 1 . . . A 79 ALA HB1 . 25643 1 684 . 1 1 79 79 ALA HB3 H 1 1.45 0.03 . 1 . . . A 79 ALA HB1 . 25643 1 685 . 1 1 79 79 ALA CA C 13 53.55 0.16 . 1 . . . A 79 ALA CA . 25643 1 686 . 1 1 79 79 ALA CB C 13 19.38 0.14 . 1 . . . A 79 ALA CB . 25643 1 687 . 1 1 79 79 ALA N N 15 116.84 0.12 . 1 . . . A 79 ALA N . 25643 1 688 . 1 1 80 80 SER H H 1 7.65 0.01 . 1 . . . A 80 SER H . 25643 1 689 . 1 1 80 80 SER HA H 1 4.21 0.03 . 1 . . . A 80 SER HA . 25643 1 690 . 1 1 80 80 SER HB2 H 1 4.01 0.02 . 2 . . . A 80 SER HB2 . 25643 1 691 . 1 1 80 80 SER HB3 H 1 4.04 0.04 . 2 . . . A 80 SER HB3 . 25643 1 692 . 1 1 80 80 SER CA C 13 60.78 0.06 . 1 . . . A 80 SER CA . 25643 1 693 . 1 1 80 80 SER CB C 13 63.88 0.05 . 1 . . . A 80 SER CB . 25643 1 694 . 1 1 80 80 SER N N 15 113.08 0.06 . 1 . . . A 80 SER N . 25643 1 695 . 1 1 81 81 GLN H H 1 7.73 0.01 . 1 . . . A 81 GLN H . 25643 1 696 . 1 1 81 81 GLN HA H 1 4.36 0.02 . 1 . . . A 81 GLN HA . 25643 1 697 . 1 1 81 81 GLN HB2 H 1 2.18 0.03 . 1 . . . A 81 GLN HB2 . 25643 1 698 . 1 1 81 81 GLN HB3 H 1 2.18 0.03 . 1 . . . A 81 GLN HB3 . 25643 1 699 . 1 1 81 81 GLN HG2 H 1 2.36 0.03 . 1 . . . A 81 GLN HG2 . 25643 1 700 . 1 1 81 81 GLN HG3 H 1 2.36 0.03 . 1 . . . A 81 GLN HG3 . 25643 1 701 . 1 1 81 81 GLN HE21 H 1 7.47 0.00 . 1 . . . A 81 GLN HE21 . 25643 1 702 . 1 1 81 81 GLN HE22 H 1 6.79 0.00 . 1 . . . A 81 GLN HE22 . 25643 1 703 . 1 1 81 81 GLN CA C 13 56.08 0.1 . 1 . . . A 81 GLN CA . 25643 1 704 . 1 1 81 81 GLN CB C 13 29.52 0.13 . 1 . . . A 81 GLN CB . 25643 1 705 . 1 1 81 81 GLN CG C 13 34.07 0.2 . 1 . . . A 81 GLN CG . 25643 1 706 . 1 1 81 81 GLN N N 15 119.98 0.03 . 1 . . . A 81 GLN N . 25643 1 707 . 1 1 82 82 GLY H H 1 7.97 0.01 . 1 . . . A 82 GLY H . 25643 1 708 . 1 1 82 82 GLY HA2 H 1 3.86 0.03 . 2 . . . A 82 GLY HA2 . 25643 1 709 . 1 1 82 82 GLY HA3 H 1 4.03 0.02 . 2 . . . A 82 GLY HA3 . 25643 1 710 . 1 1 82 82 GLY CA C 13 45.47 0.1 . 1 . . . A 82 GLY CA . 25643 1 711 . 1 1 82 82 GLY N N 15 107.94 0.04 . 1 . . . A 82 GLY N . 25643 1 712 . 1 1 83 83 GLY H H 1 8.22 0.01 . 1 . . . A 83 GLY H . 25643 1 713 . 1 1 83 83 GLY HA2 H 1 4.03 0.02 . 2 . . . A 83 GLY HA2 . 25643 1 714 . 1 1 83 83 GLY HA3 H 1 3.86 0.02 . 2 . . . A 83 GLY HA3 . 25643 1 715 . 1 1 83 83 GLY CA C 13 45.04 0.13 . 1 . . . A 83 GLY CA . 25643 1 716 . 1 1 83 83 GLY N N 15 108.53 0.11 . 1 . . . A 83 GLY N . 25643 1 717 . 1 1 84 84 ASP H H 1 8.35 0.01 . 1 . . . A 84 ASP H . 25643 1 718 . 1 1 84 84 ASP HA H 1 4.57 0.02 . 1 . . . A 84 ASP HA . 25643 1 719 . 1 1 84 84 ASP HB2 H 1 2.51 0.02 . 2 . . . A 84 ASP HB2 . 25643 1 720 . 1 1 84 84 ASP HB3 H 1 2.8 0.02 . 2 . . . A 84 ASP HB3 . 25643 1 721 . 1 1 84 84 ASP CA C 13 54.09 0.13 . 1 . . . A 84 ASP CA . 25643 1 722 . 1 1 84 84 ASP CB C 13 41.62 0.08 . 1 . . . A 84 ASP CB . 25643 1 723 . 1 1 84 84 ASP N N 15 121.66 0.02 . 1 . . . A 84 ASP N . 25643 1 724 . 1 1 85 85 LEU H H 1 8.73 0 . 1 . . . A 85 LEU H . 25643 1 725 . 1 1 85 85 LEU HA H 1 4.15 0.02 . 1 . . . A 85 LEU HA . 25643 1 726 . 1 1 85 85 LEU HB2 H 1 1.62 0.02 . 1 . . . A 85 LEU HB2 . 25643 1 727 . 1 1 85 85 LEU HB3 H 1 1.62 0.02 . 1 . . . A 85 LEU HB3 . 25643 1 728 . 1 1 85 85 LEU HG H 1 1.59 0.03 . 1 . . . A 85 LEU HG . 25643 1 729 . 1 1 85 85 LEU HD21 H 1 0.81 0.03 . 1 . . . A 85 LEU HD21 . 25643 1 730 . 1 1 85 85 LEU HD22 H 1 0.81 0.03 . 1 . . . A 85 LEU HD21 . 25643 1 731 . 1 1 85 85 LEU HD23 H 1 0.81 0.03 . 1 . . . A 85 LEU HD21 . 25643 1 732 . 1 1 85 85 LEU HD11 H 1 0.81 0.03 . 1 . . . A 85 LEU HD21 . 25643 1 733 . 1 1 85 85 LEU HD12 H 1 0.81 0.03 . 1 . . . A 85 LEU HD21 . 25643 1 734 . 1 1 85 85 LEU HD13 H 1 0.81 0.03 . 1 . . . A 85 LEU HD21 . 25643 1 735 . 1 1 85 85 LEU CA C 13 56.95 0.09 . 1 . . . A 85 LEU CA . 25643 1 736 . 1 1 85 85 LEU CB C 13 42 0.09 . 1 . . . A 85 LEU CB . 25643 1 737 . 1 1 85 85 LEU CG C 13 27.08 0.07 . 1 . . . A 85 LEU CG . 25643 1 738 . 1 1 85 85 LEU CD2 C 13 24.72 0.05 . 1 . . . A 85 LEU CD2 . 25643 1 739 . 1 1 85 85 LEU CD1 C 13 24.72 0.05 . 1 . . . A 85 LEU CD2 . 25643 1 740 . 1 1 85 85 LEU N N 15 128.24 0.03 . 1 . . . A 85 LEU N . 25643 1 741 . 1 1 86 86 GLY H H 1 8.69 0.01 . 1 . . . A 86 GLY H . 25643 1 742 . 1 1 86 86 GLY HA2 H 1 3.74 0.02 . 2 . . . A 86 GLY HA2 . 25643 1 743 . 1 1 86 86 GLY HA3 H 1 3.89 0.03 . 2 . . . A 86 GLY HA3 . 25643 1 744 . 1 1 86 86 GLY CA C 13 47.67 0.11 . 1 . . . A 86 GLY CA . 25643 1 745 . 1 1 86 86 GLY N N 15 111.51 0.02 . 1 . . . A 86 GLY N . 25643 1 746 . 1 1 87 87 VAL H H 1 7.82 0.01 . 1 . . . A 87 VAL H . 25643 1 747 . 1 1 87 87 VAL HA H 1 3.7 0.02 . 1 . . . A 87 VAL HA . 25643 1 748 . 1 1 87 87 VAL HB H 1 2.08 0.02 . 1 . . . A 87 VAL HB . 25643 1 749 . 1 1 87 87 VAL HG11 H 1 0.85 0.03 . 2 . . . A 87 VAL HG11 . 25643 1 750 . 1 1 87 87 VAL HG12 H 1 0.85 0.03 . 2 . . . A 87 VAL HG11 . 25643 1 751 . 1 1 87 87 VAL HG13 H 1 0.85 0.03 . 2 . . . A 87 VAL HG11 . 25643 1 752 . 1 1 87 87 VAL HG21 H 1 0.97 0.02 . 2 . . . A 87 VAL HG21 . 25643 1 753 . 1 1 87 87 VAL HG22 H 1 0.97 0.02 . 2 . . . A 87 VAL HG21 . 25643 1 754 . 1 1 87 87 VAL HG23 H 1 0.97 0.02 . 2 . . . A 87 VAL HG21 . 25643 1 755 . 1 1 87 87 VAL CA C 13 66.18 0.07 . 1 . . . A 87 VAL CA . 25643 1 756 . 1 1 87 87 VAL CB C 13 32.02 0.07 . 1 . . . A 87 VAL CB . 25643 1 757 . 1 1 87 87 VAL CG1 C 13 20.96 0.03 . 2 . . . A 87 VAL CG1 . 25643 1 758 . 1 1 87 87 VAL CG2 C 13 22.38 0.05 . 2 . . . A 87 VAL CG2 . 25643 1 759 . 1 1 87 87 VAL N N 15 123.05 0.03 . 1 . . . A 87 VAL N . 25643 1 760 . 1 1 88 88 THR H H 1 8.09 0.01 . 1 . . . A 88 THR H . 25643 1 761 . 1 1 88 88 THR HA H 1 3.68 0.03 . 1 . . . A 88 THR HA . 25643 1 762 . 1 1 88 88 THR HB H 1 4.09 0.02 . 1 . . . A 88 THR HB . 25643 1 763 . 1 1 88 88 THR HG21 H 1 1.19 0.02 . 1 . . . A 88 THR HG21 . 25643 1 764 . 1 1 88 88 THR HG22 H 1 1.19 0.02 . 1 . . . A 88 THR HG21 . 25643 1 765 . 1 1 88 88 THR HG23 H 1 1.19 0.02 . 1 . . . A 88 THR HG21 . 25643 1 766 . 1 1 88 88 THR CA C 13 66.57 0.1 . 1 . . . A 88 THR CA . 25643 1 767 . 1 1 88 88 THR CB C 13 68.64 0.09 . 1 . . . A 88 THR CB . 25643 1 768 . 1 1 88 88 THR CG2 C 13 22.77 0.18 . 1 . . . A 88 THR CG2 . 25643 1 769 . 1 1 88 88 THR N N 15 116.52 0.02 . 1 . . . A 88 THR N . 25643 1 770 . 1 1 89 89 THR H H 1 8.52 0.01 . 1 . . . A 89 THR H . 25643 1 771 . 1 1 89 89 THR HA H 1 4.21 0.04 . 1 . . . A 89 THR HA . 25643 1 772 . 1 1 89 89 THR HB H 1 4.11 0.04 . 1 . . . A 89 THR HB . 25643 1 773 . 1 1 89 89 THR HG1 H 1 5.11 0 . 1 . . . A 89 THR HG1 . 25643 1 774 . 1 1 89 89 THR HG21 H 1 1.2 0.01 . 1 . . . A 89 THR HG21 . 25643 1 775 . 1 1 89 89 THR HG22 H 1 1.2 0.01 . 1 . . . A 89 THR HG21 . 25643 1 776 . 1 1 89 89 THR HG23 H 1 1.2 0.01 . 1 . . . A 89 THR HG21 . 25643 1 777 . 1 1 89 89 THR CA C 13 68.07 0.11 . 1 . . . A 89 THR CA . 25643 1 778 . 1 1 89 89 THR CG2 C 13 21.77 0.05 . 1 . . . A 89 THR CG2 . 25643 1 779 . 1 1 89 89 THR N N 15 117.19 0.05 . 1 . . . A 89 THR N . 25643 1 780 . 1 1 90 90 ASN H H 1 7.81 0.01 . 1 . . . A 90 ASN H . 25643 1 781 . 1 1 90 90 ASN HA H 1 4.42 0.02 . 1 . . . A 90 ASN HA . 25643 1 782 . 1 1 90 90 ASN HB2 H 1 2.87 0.03 . 1 . . . A 90 ASN HB2 . 25643 1 783 . 1 1 90 90 ASN HB3 H 1 2.87 0.03 . 1 . . . A 90 ASN HB3 . 25643 1 784 . 1 1 90 90 ASN HD21 H 1 6.82 0.00 . 1 . . . A 90 ASN HD21 . 25643 1 785 . 1 1 90 90 ASN HD22 H 1 7.59 0.00 . 1 . . . A 90 ASN HD22 . 25643 1 786 . 1 1 90 90 ASN CA C 13 56.15 0.1 . 1 . . . A 90 ASN CA . 25643 1 787 . 1 1 90 90 ASN CB C 13 37.88 0.13 . 1 . . . A 90 ASN CB . 25643 1 788 . 1 1 90 90 ASN N N 15 120.41 0.09 . 1 . . . A 90 ASN N . 25643 1 789 . 1 1 91 91 ALA H H 1 8.07 0.02 . 1 . . . A 91 ALA H . 25643 1 790 . 1 1 91 91 ALA HA H 1 4.32 0.03 . 1 . . . A 91 ALA HA . 25643 1 791 . 1 1 91 91 ALA HB1 H 1 1.54 0.03 . 1 . . . A 91 ALA HB1 . 25643 1 792 . 1 1 91 91 ALA HB2 H 1 1.54 0.03 . 1 . . . A 91 ALA HB1 . 25643 1 793 . 1 1 91 91 ALA HB3 H 1 1.54 0.03 . 1 . . . A 91 ALA HB1 . 25643 1 794 . 1 1 91 91 ALA CA C 13 55.5 0.19 . 1 . . . A 91 ALA CA . 25643 1 795 . 1 1 91 91 ALA CB C 13 18.45 0.07 . 1 . . . A 91 ALA CB . 25643 1 796 . 1 1 91 91 ALA N N 15 123.15 0.04 . 1 . . . A 91 ALA N . 25643 1 797 . 1 1 92 92 ILE H H 1 8.26 0.02 . 1 . . . A 92 ILE H . 25643 1 798 . 1 1 92 92 ILE HA H 1 3.94 0.03 . 1 . . . A 92 ILE HA . 25643 1 799 . 1 1 92 92 ILE HB H 1 1.51 0 . 1 . . . A 92 ILE HB . 25643 1 800 . 1 1 92 92 ILE HG12 H 1 0.67 0.05 . 1 . . . A 92 ILE HG12 . 25643 1 801 . 1 1 92 92 ILE HG13 H 1 0.67 0.05 . 1 . . . A 92 ILE HG13 . 25643 1 802 . 1 1 92 92 ILE HG21 H 1 0.94 0.03 . 1 . . . A 92 ILE HG21 . 25643 1 803 . 1 1 92 92 ILE HG22 H 1 0.94 0.03 . 1 . . . A 92 ILE HG21 . 25643 1 804 . 1 1 92 92 ILE HG23 H 1 0.94 0.03 . 1 . . . A 92 ILE HG21 . 25643 1 805 . 1 1 92 92 ILE HD11 H 1 0.76 0.06 . 1 . . . A 92 ILE HD11 . 25643 1 806 . 1 1 92 92 ILE HD12 H 1 0.76 0.06 . 1 . . . A 92 ILE HD11 . 25643 1 807 . 1 1 92 92 ILE HD13 H 1 0.76 0.06 . 1 . . . A 92 ILE HD11 . 25643 1 808 . 1 1 92 92 ILE CA C 13 63.52 0.05 . 1 . . . A 92 ILE CA . 25643 1 809 . 1 1 92 92 ILE N N 15 117.98 0.05 . 1 . . . A 92 ILE N . 25643 1 810 . 1 1 93 93 ALA H H 1 8.39 0.01 . 1 . . . A 93 ALA H . 25643 1 811 . 1 1 93 93 ALA HA H 1 4.07 0 . 1 . . . A 93 ALA HA . 25643 1 812 . 1 1 93 93 ALA HB1 H 1 1.53 0 . 1 . . . A 93 ALA HB1 . 25643 1 813 . 1 1 93 93 ALA HB2 H 1 1.53 0 . 1 . . . A 93 ALA HB1 . 25643 1 814 . 1 1 93 93 ALA HB3 H 1 1.53 0 . 1 . . . A 93 ALA HB1 . 25643 1 815 . 1 1 93 93 ALA CA C 13 56.08 0.06 . 1 . . . A 93 ALA CA . 25643 1 816 . 1 1 93 93 ALA CB C 13 18.24 0.02 . 1 . . . A 93 ALA CB . 25643 1 817 . 1 1 93 93 ALA N N 15 122.65 0.02 . 1 . . . A 93 ALA N . 25643 1 818 . 1 1 94 94 ASP H H 1 8.84 0.01 . 1 . . . A 94 ASP H . 25643 1 819 . 1 1 94 94 ASP HA H 1 4.4 0.02 . 1 . . . A 94 ASP HA . 25643 1 820 . 1 1 94 94 ASP HB2 H 1 2.68 0.02 . 2 . . . A 94 ASP HB2 . 25643 1 821 . 1 1 94 94 ASP HB3 H 1 2.88 0.02 . 2 . . . A 94 ASP HB3 . 25643 1 822 . 1 1 94 94 ASP CA C 13 57.79 0.07 . 1 . . . A 94 ASP CA . 25643 1 823 . 1 1 94 94 ASP CB C 13 40.14 0.04 . 1 . . . A 94 ASP CB . 25643 1 824 . 1 1 94 94 ASP N N 15 122.06 0.03 . 1 . . . A 94 ASP N . 25643 1 825 . 1 1 95 95 ALA H H 1 8.41 0.01 . 1 . . . A 95 ALA H . 25643 1 826 . 1 1 95 95 ALA HA H 1 4.12 0.03 . 1 . . . A 95 ALA HA . 25643 1 827 . 1 1 95 95 ALA HB1 H 1 1.42 0.03 . 1 . . . A 95 ALA HB1 . 25643 1 828 . 1 1 95 95 ALA HB2 H 1 1.42 0.03 . 1 . . . A 95 ALA HB1 . 25643 1 829 . 1 1 95 95 ALA HB3 H 1 1.42 0.03 . 1 . . . A 95 ALA HB1 . 25643 1 830 . 1 1 95 95 ALA CA C 13 55.22 0.07 . 1 . . . A 95 ALA CA . 25643 1 831 . 1 1 95 95 ALA CB C 13 18.06 0.04 . 1 . . . A 95 ALA CB . 25643 1 832 . 1 1 95 95 ALA N N 15 124.38 0.02 . 1 . . . A 95 ALA N . 25643 1 833 . 1 1 96 96 LEU H H 1 8.87 0.02 . 1 . . . A 96 LEU H . 25643 1 834 . 1 1 96 96 LEU HA H 1 4.04 0.03 . 1 . . . A 96 LEU HA . 25643 1 835 . 1 1 96 96 LEU HB2 H 1 1.48 0.03 . 1 . . . A 96 LEU HB2 . 25643 1 836 . 1 1 96 96 LEU HB3 H 1 1.48 0.03 . 1 . . . A 96 LEU HB3 . 25643 1 837 . 1 1 96 96 LEU HD21 H 1 0.76 0.03 . 1 . . . A 96 LEU HD21 . 25643 1 838 . 1 1 96 96 LEU HD22 H 1 0.76 0.03 . 1 . . . A 96 LEU HD21 . 25643 1 839 . 1 1 96 96 LEU HD23 H 1 0.76 0.03 . 1 . . . A 96 LEU HD21 . 25643 1 840 . 1 1 96 96 LEU HD11 H 1 0.76 0.03 . 1 . . . A 96 LEU HD21 . 25643 1 841 . 1 1 96 96 LEU HD12 H 1 0.76 0.03 . 1 . . . A 96 LEU HD21 . 25643 1 842 . 1 1 96 96 LEU HD13 H 1 0.76 0.03 . 1 . . . A 96 LEU HD21 . 25643 1 843 . 1 1 96 96 LEU CA C 13 58.02 0.13 . 1 . . . A 96 LEU CA . 25643 1 844 . 1 1 96 96 LEU CB C 13 43.39 0.07 . 1 . . . A 96 LEU CB . 25643 1 845 . 1 1 96 96 LEU CG C 13 28.65 0.01 . 1 . . . A 96 LEU CG . 25643 1 846 . 1 1 96 96 LEU CD2 C 13 24.9 0.18 . 1 . . . A 96 LEU CD2 . 25643 1 847 . 1 1 96 96 LEU CD1 C 13 24.9 0.18 . 1 . . . A 96 LEU CD2 . 25643 1 848 . 1 1 96 96 LEU N N 15 118.53 0.05 . 1 . . . A 96 LEU N . 25643 1 849 . 1 1 97 97 THR H H 1 8.45 0.03 . 1 . . . A 97 THR H . 25643 1 850 . 1 1 97 97 THR HA H 1 4.54 0.02 . 1 . . . A 97 THR HA . 25643 1 851 . 1 1 97 97 THR HB H 1 3.81 0.03 . 1 . . . A 97 THR HB . 25643 1 852 . 1 1 97 97 THR HG1 H 1 5.15 0.02 . 1 . . . A 97 THR HG1 . 25643 1 853 . 1 1 97 97 THR HG21 H 1 1.2 0.06 . 1 . . . A 97 THR HG21 . 25643 1 854 . 1 1 97 97 THR HG22 H 1 1.2 0.06 . 1 . . . A 97 THR HG21 . 25643 1 855 . 1 1 97 97 THR HG23 H 1 1.2 0.06 . 1 . . . A 97 THR HG21 . 25643 1 856 . 1 1 97 97 THR CA C 13 68.73 0.15 . 1 . . . A 97 THR CA . 25643 1 857 . 1 1 97 97 THR CB C 13 68.65 0.09 . 1 . . . A 97 THR CB . 25643 1 858 . 1 1 97 97 THR CG2 C 13 21.31 0.03 . 1 . . . A 97 THR CG2 . 25643 1 859 . 1 1 97 97 THR N N 15 117.79 0.03 . 1 . . . A 97 THR N . 25643 1 860 . 1 1 98 98 SER H H 1 7.9 0.02 . 1 . . . A 98 SER H . 25643 1 861 . 1 1 98 98 SER HA H 1 4.24 0.03 . 1 . . . A 98 SER HA . 25643 1 862 . 1 1 98 98 SER HB2 H 1 3.96 0.03 . 1 . . . A 98 SER HB2 . 25643 1 863 . 1 1 98 98 SER HB3 H 1 3.96 0.03 . 1 . . . A 98 SER HB3 . 25643 1 864 . 1 1 98 98 SER CA C 13 61.89 0.06 . 1 . . . A 98 SER CA . 25643 1 865 . 1 1 98 98 SER CB C 13 63.04 0.05 . 1 . . . A 98 SER CB . 25643 1 866 . 1 1 98 98 SER N N 15 115.21 0.1 . 1 . . . A 98 SER N . 25643 1 867 . 1 1 99 99 ALA H H 1 8.05 0.02 . 1 . . . A 99 ALA H . 25643 1 868 . 1 1 99 99 ALA HA H 1 4.33 0.03 . 1 . . . A 99 ALA HA . 25643 1 869 . 1 1 99 99 ALA HB1 H 1 1.52 0.02 . 1 . . . A 99 ALA HB1 . 25643 1 870 . 1 1 99 99 ALA HB2 H 1 1.52 0.02 . 1 . . . A 99 ALA HB1 . 25643 1 871 . 1 1 99 99 ALA HB3 H 1 1.52 0.02 . 1 . . . A 99 ALA HB1 . 25643 1 872 . 1 1 99 99 ALA CA C 13 55.33 0.1 . 1 . . . A 99 ALA CA . 25643 1 873 . 1 1 99 99 ALA CB C 13 18.18 0.11 . 1 . . . A 99 ALA CB . 25643 1 874 . 1 1 99 99 ALA N N 15 123.15 0.04 . 1 . . . A 99 ALA N . 25643 1 875 . 1 1 100 100 PHE H H 1 8.63 0.02 . 1 . . . A 100 PHE H . 25643 1 876 . 1 1 100 100 PHE HA H 1 4.21 0.02 . 1 . . . A 100 PHE HA . 25643 1 877 . 1 1 100 100 PHE HB2 H 1 2.95 0.03 . 2 . . . A 100 PHE HB2 . 25643 1 878 . 1 1 100 100 PHE HB3 H 1 3.27 0.03 . 2 . . . A 100 PHE HB3 . 25643 1 879 . 1 1 100 100 PHE HD1 H 1 7.37 0.01 . 1 . . . A 100 PHE HD1 . 25643 1 880 . 1 1 100 100 PHE HD2 H 1 7.37 0.01 . 1 . . . A 100 PHE HD2 . 25643 1 881 . 1 1 100 100 PHE HE1 H 1 6.91 0.02 . 1 . . . A 100 PHE HE1 . 25643 1 882 . 1 1 100 100 PHE HE2 H 1 6.91 0.02 . 1 . . . A 100 PHE HE2 . 25643 1 883 . 1 1 100 100 PHE HZ H 1 6.26 0.01 . 1 . . . A 100 PHE HZ . 25643 1 884 . 1 1 100 100 PHE CA C 13 64.11 0.16 . 1 . . . A 100 PHE CA . 25643 1 885 . 1 1 100 100 PHE CB C 13 39.18 0.07 . 1 . . . A 100 PHE CB . 25643 1 886 . 1 1 100 100 PHE CD1 C 13 132.9 0.05 . 1 . . . A 100 PHE CD1 . 25643 1 887 . 1 1 100 100 PHE CD2 C 13 132.9 0.05 . 1 . . . A 100 PHE CD2 . 25643 1 888 . 1 1 100 100 PHE CE1 C 13 131.08 0.06 . 1 . . . A 100 PHE CE1 . 25643 1 889 . 1 1 100 100 PHE CE2 C 13 131.08 0.06 . 1 . . . A 100 PHE CE2 . 25643 1 890 . 1 1 100 100 PHE CZ C 13 130.09 0.1 . 1 . . . A 100 PHE CZ . 25643 1 891 . 1 1 100 100 PHE N N 15 118.17 0.02 . 1 . . . A 100 PHE N . 25643 1 892 . 1 1 101 101 TYR H H 1 8.53 0.03 . 1 . . . A 101 TYR H . 25643 1 893 . 1 1 101 101 TYR HA H 1 3.98 0.03 . 1 . . . A 101 TYR HA . 25643 1 894 . 1 1 101 101 TYR HB2 H 1 3.1 0.02 . 1 . . . A 101 TYR HB2 . 25643 1 895 . 1 1 101 101 TYR HB3 H 1 3.1 0.02 . 1 . . . A 101 TYR HB3 . 25643 1 896 . 1 1 101 101 TYR HD1 H 1 6.92 0.02 . 1 . . . A 101 TYR HD1 . 25643 1 897 . 1 1 101 101 TYR HD2 H 1 6.92 0.02 . 1 . . . A 101 TYR HD2 . 25643 1 898 . 1 1 101 101 TYR HE1 H 1 6.69 0.01 . 1 . . . A 101 TYR HE1 . 25643 1 899 . 1 1 101 101 TYR HE2 H 1 6.69 0.01 . 1 . . . A 101 TYR HE2 . 25643 1 900 . 1 1 101 101 TYR CA C 13 62.38 0.06 . 1 . . . A 101 TYR CA . 25643 1 901 . 1 1 101 101 TYR CB C 13 37.68 0.12 . 1 . . . A 101 TYR CB . 25643 1 902 . 1 1 101 101 TYR CD1 C 13 132.17 0.06 . 1 . . . A 101 TYR CD1 . 25643 1 903 . 1 1 101 101 TYR CD2 C 13 132.17 0.06 . 1 . . . A 101 TYR CD2 . 25643 1 904 . 1 1 101 101 TYR CE1 C 13 118.41 0.04 . 1 . . . A 101 TYR CE1 . 25643 1 905 . 1 1 101 101 TYR CE2 C 13 118.41 0.04 . 1 . . . A 101 TYR CE2 . 25643 1 906 . 1 1 101 101 TYR N N 15 120.66 0.03 . 1 . . . A 101 TYR N . 25643 1 907 . 1 1 102 102 GLN H H 1 8.34 0.01 . 1 . . . A 102 GLN H . 25643 1 908 . 1 1 102 102 GLN HA H 1 4.07 0.02 . 1 . . . A 102 GLN HA . 25643 1 909 . 1 1 102 102 GLN HB2 H 1 2 0.04 . 2 . . . A 102 GLN HB2 . 25643 1 910 . 1 1 102 102 GLN HB3 H 1 2.18 0.01 . 2 . . . A 102 GLN HB3 . 25643 1 911 . 1 1 102 102 GLN HG2 H 1 2.4 0.01 . 2 . . . A 102 GLN HG2 . 25643 1 912 . 1 1 102 102 GLN HG3 H 1 2.56 0.02 . 2 . . . A 102 GLN HG3 . 25643 1 913 . 1 1 102 102 GLN HE21 H 1 7.31 0 . 1 . . . A 102 GLN HE21 . 25643 1 914 . 1 1 102 102 GLN HE22 H 1 6.95 0 . 1 . . . A 102 GLN HE22 . 25643 1 915 . 1 1 102 102 GLN CA C 13 57.86 0.07 . 1 . . . A 102 GLN CA . 25643 1 916 . 1 1 102 102 GLN CB C 13 29.72 0.14 . 1 . . . A 102 GLN CB . 25643 1 917 . 1 1 102 102 GLN CG C 13 34.59 0.13 . 1 . . . A 102 GLN CG . 25643 1 918 . 1 1 102 102 GLN N N 15 114.92 0.04 . 1 . . . A 102 GLN N . 25643 1 919 . 1 1 103 103 THR H H 1 7.53 0.01 . 1 . . . A 103 THR H . 25643 1 920 . 1 1 103 103 THR HA H 1 4.38 0.02 . 1 . . . A 103 THR HA . 25643 1 921 . 1 1 103 103 THR HB H 1 4.23 0.04 . 1 . . . A 103 THR HB . 25643 1 922 . 1 1 103 103 THR HG1 H 1 5.18 0.03 . 1 . . . A 103 THR HG1 . 25643 1 923 . 1 1 103 103 THR HG21 H 1 1.15 0.02 . 1 . . . A 103 THR HG21 . 25643 1 924 . 1 1 103 103 THR HG22 H 1 1.15 0.02 . 1 . . . A 103 THR HG21 . 25643 1 925 . 1 1 103 103 THR HG23 H 1 1.15 0.02 . 1 . . . A 103 THR HG21 . 25643 1 926 . 1 1 103 103 THR CA C 13 62.55 0.05 . 1 . . . A 103 THR CA . 25643 1 927 . 1 1 103 103 THR CB C 13 70.16 0.19 . 1 . . . A 103 THR CB . 25643 1 928 . 1 1 103 103 THR CG2 C 13 21.75 0.08 . 1 . . . A 103 THR CG2 . 25643 1 929 . 1 1 103 103 THR N N 15 108.79 0.06 . 1 . . . A 103 THR N . 25643 1 930 . 1 1 104 104 THR H H 1 8.55 0.02 . 1 . . . A 104 THR H . 25643 1 931 . 1 1 104 104 THR HA H 1 4.43 0.02 . 1 . . . A 104 THR HA . 25643 1 932 . 1 1 104 104 THR HB H 1 4.3 0.02 . 1 . . . A 104 THR HB . 25643 1 933 . 1 1 104 104 THR HG21 H 1 1.11 0.03 . 1 . . . A 104 THR HG21 . 25643 1 934 . 1 1 104 104 THR HG22 H 1 1.11 0.03 . 1 . . . A 104 THR HG21 . 25643 1 935 . 1 1 104 104 THR HG23 H 1 1.11 0.03 . 1 . . . A 104 THR HG21 . 25643 1 936 . 1 1 104 104 THR CA C 13 62.23 0.1 . 1 . . . A 104 THR CA . 25643 1 937 . 1 1 104 104 THR CB C 13 70.56 0.11 . 1 . . . A 104 THR CB . 25643 1 938 . 1 1 104 104 THR CG2 C 13 21.85 0.07 . 1 . . . A 104 THR CG2 . 25643 1 939 . 1 1 104 104 THR N N 15 112.18 0.02 . 1 . . . A 104 THR N . 25643 1 940 . 1 1 105 105 GLY H H 1 8.33 0.01 . 1 . . . A 105 GLY H . 25643 1 941 . 1 1 105 105 GLY HA2 H 1 3.8 0.03 . 2 . . . A 105 GLY HA2 . 25643 1 942 . 1 1 105 105 GLY HA3 H 1 4.3 0.03 . 2 . . . A 105 GLY HA3 . 25643 1 943 . 1 1 105 105 GLY CA C 13 45.5 0.08 . 1 . . . A 105 GLY CA . 25643 1 944 . 1 1 105 105 GLY N N 15 109.48 0.03 . 1 . . . A 105 GLY N . 25643 1 945 . 1 1 106 106 VAL H H 1 7.69 0.01 . 1 . . . A 106 VAL H . 25643 1 946 . 1 1 106 106 VAL HA H 1 4.17 0.02 . 1 . . . A 106 VAL HA . 25643 1 947 . 1 1 106 106 VAL HB H 1 1.71 0.03 . 1 . . . A 106 VAL HB . 25643 1 948 . 1 1 106 106 VAL HG21 H 1 0.72 0.03 . 1 . . . A 106 VAL HG21 . 25643 1 949 . 1 1 106 106 VAL HG22 H 1 0.72 0.03 . 1 . . . A 106 VAL HG21 . 25643 1 950 . 1 1 106 106 VAL HG23 H 1 0.72 0.03 . 1 . . . A 106 VAL HG21 . 25643 1 951 . 1 1 106 106 VAL HG11 H 1 0.72 0.03 . 1 . . . A 106 VAL HG21 . 25643 1 952 . 1 1 106 106 VAL HG12 H 1 0.72 0.03 . 1 . . . A 106 VAL HG21 . 25643 1 953 . 1 1 106 106 VAL HG13 H 1 0.72 0.03 . 1 . . . A 106 VAL HG21 . 25643 1 954 . 1 1 106 106 VAL CA C 13 60.88 0.07 . 1 . . . A 106 VAL CA . 25643 1 955 . 1 1 106 106 VAL CB C 13 35.01 0.09 . 1 . . . A 106 VAL CB . 25643 1 956 . 1 1 106 106 VAL CG2 C 13 20.49 0.11 . 1 . . . A 106 VAL CG2 . 25643 1 957 . 1 1 106 106 VAL CG1 C 13 20.49 0.11 . 1 . . . A 106 VAL CG2 . 25643 1 958 . 1 1 106 106 VAL N N 15 119.71 0.03 . 1 . . . A 106 VAL N . 25643 1 959 . 1 1 107 107 VAL H H 1 8.48 0.02 . 1 . . . A 107 VAL H . 25643 1 960 . 1 1 107 107 VAL HA H 1 4 0.03 . 1 . . . A 107 VAL HA . 25643 1 961 . 1 1 107 107 VAL HB H 1 1.79 0.04 . 1 . . . A 107 VAL HB . 25643 1 962 . 1 1 107 107 VAL HG21 H 1 0.69 0.02 . 1 . . . A 107 VAL HG21 . 25643 1 963 . 1 1 107 107 VAL HG22 H 1 0.69 0.02 . 1 . . . A 107 VAL HG21 . 25643 1 964 . 1 1 107 107 VAL HG23 H 1 0.69 0.02 . 1 . . . A 107 VAL HG21 . 25643 1 965 . 1 1 107 107 VAL HG11 H 1 0.69 0.02 . 1 . . . A 107 VAL HG21 . 25643 1 966 . 1 1 107 107 VAL HG12 H 1 0.69 0.02 . 1 . . . A 107 VAL HG21 . 25643 1 967 . 1 1 107 107 VAL HG13 H 1 0.69 0.02 . 1 . . . A 107 VAL HG21 . 25643 1 968 . 1 1 107 107 VAL CA C 13 63.41 0.11 . 1 . . . A 107 VAL CA . 25643 1 969 . 1 1 107 107 VAL CB C 13 36.5 0.08 . 1 . . . A 107 VAL CB . 25643 1 970 . 1 1 107 107 VAL CG2 C 13 21.57 0.18 . 1 . . . A 107 VAL CG2 . 25643 1 971 . 1 1 107 107 VAL CG1 C 13 21.57 0.18 . 1 . . . A 107 VAL CG2 . 25643 1 972 . 1 1 107 107 VAL N N 15 125.41 0.04 . 1 . . . A 107 VAL N . 25643 1 973 . 1 1 109 109 SER H H 1 7.83 0.01 . 1 . . . A 109 SER H . 25643 1 974 . 1 1 109 109 SER HA H 1 4.06 0.04 . 1 . . . A 109 SER HA . 25643 1 975 . 1 1 109 109 SER HB3 H 1 3.8 0.02 . 1 . . . A 109 SER HB3 . 25643 1 976 . 1 1 109 109 SER HB2 H 1 3.8 0.02 . 1 . . . A 109 SER HB3 . 25643 1 977 . 1 1 109 109 SER CA C 13 61.28 0 . 1 . . . A 109 SER CA . 25643 1 978 . 1 1 109 109 SER CB C 13 61.88 0 . 1 . . . A 109 SER CB . 25643 1 979 . 1 1 109 109 SER N N 15 114.88 0.01 . 1 . . . A 109 SER N . 25643 1 980 . 1 1 110 110 ARG H H 1 7.58 0.01 . 1 . . . A 110 ARG H . 25643 1 981 . 1 1 110 110 ARG HA H 1 4.04 0.03 . 1 . . . A 110 ARG HA . 25643 1 982 . 1 1 110 110 ARG HB2 H 1 1.89 0.03 . 1 . . . A 110 ARG HB2 . 25643 1 983 . 1 1 110 110 ARG HB3 H 1 1.89 0.03 . 1 . . . A 110 ARG HB3 . 25643 1 984 . 1 1 110 110 ARG HG2 H 1 1.61 0.03 . 2 . . . A 110 ARG HG2 . 25643 1 985 . 1 1 110 110 ARG HG3 H 1 1.57 0.04 . 2 . . . A 110 ARG HG3 . 25643 1 986 . 1 1 110 110 ARG HD2 H 1 3.13 0.03 . 2 . . . A 110 ARG HD2 . 25643 1 987 . 1 1 110 110 ARG HD3 H 1 3.15 0.02 . 2 . . . A 110 ARG HD3 . 25643 1 988 . 1 1 110 110 ARG CA C 13 59.19 0.14 . 1 . . . A 110 ARG CA . 25643 1 989 . 1 1 110 110 ARG CB C 13 29.41 0.06 . 1 . . . A 110 ARG CB . 25643 1 990 . 1 1 110 110 ARG CG C 13 27.06 0.09 . 1 . . . A 110 ARG CG . 25643 1 991 . 1 1 110 110 ARG CD C 13 43.13 0.05 . 1 . . . A 110 ARG CD . 25643 1 992 . 1 1 110 110 ARG N N 15 124.47 0.03 . 1 . . . A 110 ARG N . 25643 1 993 . 1 1 111 111 PHE H H 1 7.47 0.01 . 1 . . . A 111 PHE H . 25643 1 994 . 1 1 111 111 PHE HA H 1 4.22 0.03 . 1 . . . A 111 PHE HA . 25643 1 995 . 1 1 111 111 PHE HB2 H 1 2.97 0.05 . 1 . . . A 111 PHE HB2 . 25643 1 996 . 1 1 111 111 PHE HB3 H 1 2.97 0.04 . 1 . . . A 111 PHE HB3 . 25643 1 997 . 1 1 111 111 PHE HD1 H 1 7.23 0.02 . 1 . . . A 111 PHE HD1 . 25643 1 998 . 1 1 111 111 PHE HD2 H 1 7.23 0.02 . 1 . . . A 111 PHE HD2 . 25643 1 999 . 1 1 111 111 PHE CA C 13 60.48 0.08 . 1 . . . A 111 PHE CA . 25643 1 1000 . 1 1 111 111 PHE CB C 13 39.5 0.08 . 1 . . . A 111 PHE CB . 25643 1 1001 . 1 1 111 111 PHE CD1 C 13 131.88 0.04 . 1 . . . A 111 PHE CD1 . 25643 1 1002 . 1 1 111 111 PHE CD2 C 13 131.88 0.04 . 1 . . . A 111 PHE CD2 . 25643 1 1003 . 1 1 111 111 PHE N N 15 120.72 0.03 . 1 . . . A 111 PHE N . 25643 1 1004 . 1 1 112 112 ILE H H 1 7.48 0.01 . 1 . . . A 112 ILE H . 25643 1 1005 . 1 1 112 112 ILE HA H 1 3.55 0.02 . 1 . . . A 112 ILE HA . 25643 1 1006 . 1 1 112 112 ILE HB H 1 1.93 0.03 . 1 . . . A 112 ILE HB . 25643 1 1007 . 1 1 112 112 ILE HG12 H 1 1.26 0.05 . 1 . . . A 112 ILE HG12 . 25643 1 1008 . 1 1 112 112 ILE HG13 H 1 1.26 0.05 . 1 . . . A 112 ILE HG13 . 25643 1 1009 . 1 1 112 112 ILE HG21 H 1 0.95 0.03 . 1 . . . A 112 ILE HG21 . 25643 1 1010 . 1 1 112 112 ILE HG22 H 1 0.95 0.03 . 1 . . . A 112 ILE HG21 . 25643 1 1011 . 1 1 112 112 ILE HG23 H 1 0.95 0.03 . 1 . . . A 112 ILE HG21 . 25643 1 1012 . 1 1 112 112 ILE HD11 H 1 0.93 0.03 . 1 . . . A 112 ILE HD11 . 25643 1 1013 . 1 1 112 112 ILE HD12 H 1 0.93 0.03 . 1 . . . A 112 ILE HD11 . 25643 1 1014 . 1 1 112 112 ILE HD13 H 1 0.93 0.03 . 1 . . . A 112 ILE HD11 . 25643 1 1015 . 1 1 112 112 ILE CA C 13 65.64 0.1 . 1 . . . A 112 ILE CA . 25643 1 1016 . 1 1 112 112 ILE CB C 13 37.57 0.12 . 1 . . . A 112 ILE CB . 25643 1 1017 . 1 1 112 112 ILE CG1 C 13 29.83 0.13 . 1 . . . A 112 ILE CG1 . 25643 1 1018 . 1 1 112 112 ILE CG2 C 13 14.06 0.13 . 1 . . . A 112 ILE CG2 . 25643 1 1019 . 1 1 112 112 ILE CD1 C 13 14.17 0.05 . 1 . . . A 112 ILE CD1 . 25643 1 1020 . 1 1 112 112 ILE N N 15 116.54 0.02 . 1 . . . A 112 ILE N . 25643 1 1021 . 1 1 113 113 SER H H 1 8.28 0.02 . 1 . . . A 113 SER H . 25643 1 1022 . 1 1 113 113 SER HA H 1 3.98 0.03 . 1 . . . A 113 SER HA . 25643 1 1023 . 1 1 113 113 SER HB2 H 1 3.97 0.01 . 1 . . . A 113 SER HB2 . 25643 1 1024 . 1 1 113 113 SER HB3 H 1 3.97 0.01 . 1 . . . A 113 SER HB3 . 25643 1 1025 . 1 1 113 113 SER CA C 13 62.45 0.09 . 1 . . . A 113 SER CA . 25643 1 1026 . 1 1 113 113 SER CB C 13 62.71 0 . 1 . . . A 113 SER CB . 25643 1 1027 . 1 1 113 113 SER N N 15 115.79 0.04 . 1 . . . A 113 SER N . 25643 1 1028 . 1 1 114 114 GLU H H 1 8.33 0.01 . 1 . . . A 114 GLU H . 25643 1 1029 . 1 1 114 114 GLU HA H 1 3.98 0.03 . 1 . . . A 114 GLU HA . 25643 1 1030 . 1 1 114 114 GLU CA C 13 59.56 0.07 . 1 . . . A 114 GLU CA . 25643 1 1031 . 1 1 114 114 GLU CB C 13 29.19 0.08 . 1 . . . A 114 GLU CB . 25643 1 1032 . 1 1 114 114 GLU CG C 13 36.51 0 . 1 . . . A 114 GLU CG . 25643 1 1033 . 1 1 114 114 GLU N N 15 122.58 0.03 . 1 . . . A 114 GLU N . 25643 1 1034 . 1 1 115 115 ILE H H 1 7.81 0.03 . 1 . . . A 115 ILE H . 25643 1 1035 . 1 1 115 115 ILE HA H 1 3.61 0.02 . 1 . . . A 115 ILE HA . 25643 1 1036 . 1 1 115 115 ILE HB H 1 1.78 0.04 . 1 . . . A 115 ILE HB . 25643 1 1037 . 1 1 115 115 ILE HG12 H 1 1.73 0 . 1 . . . A 115 ILE HG12 . 25643 1 1038 . 1 1 115 115 ILE HG13 H 1 1.73 0 . 1 . . . A 115 ILE HG13 . 25643 1 1039 . 1 1 115 115 ILE HG21 H 1 0.79 0.03 . 1 . . . A 115 ILE HG21 . 25643 1 1040 . 1 1 115 115 ILE HG22 H 1 0.79 0.03 . 1 . . . A 115 ILE HG21 . 25643 1 1041 . 1 1 115 115 ILE HG23 H 1 0.79 0.03 . 1 . . . A 115 ILE HG21 . 25643 1 1042 . 1 1 115 115 ILE HD11 H 1 0.55 0.02 . 1 . . . A 115 ILE HD11 . 25643 1 1043 . 1 1 115 115 ILE HD12 H 1 0.55 0.02 . 1 . . . A 115 ILE HD11 . 25643 1 1044 . 1 1 115 115 ILE HD13 H 1 0.55 0.02 . 1 . . . A 115 ILE HD11 . 25643 1 1045 . 1 1 115 115 ILE CA C 13 65.06 0.11 . 1 . . . A 115 ILE CA . 25643 1 1046 . 1 1 115 115 ILE CB C 13 36.51 0.13 . 1 . . . A 115 ILE CB . 25643 1 1047 . 1 1 115 115 ILE CG1 C 13 30.28 0.13 . 1 . . . A 115 ILE CG1 . 25643 1 1048 . 1 1 115 115 ILE CG2 C 13 17.6 0.09 . 1 . . . A 115 ILE CG2 . 25643 1 1049 . 1 1 115 115 ILE CD1 C 13 13.19 0.12 . 1 . . . A 115 ILE CD1 . 25643 1 1050 . 1 1 115 115 ILE N N 15 120.01 0.05 . 1 . . . A 115 ILE N . 25643 1 1051 . 1 1 116 116 ARG H H 1 8.35 0.02 . 1 . . . A 116 ARG H . 25643 1 1052 . 1 1 116 116 ARG HA H 1 3.73 0.02 . 1 . . . A 116 ARG HA . 25643 1 1053 . 1 1 116 116 ARG HB2 H 1 1.88 0.04 . 2 . . . A 116 ARG HB2 . 25643 1 1054 . 1 1 116 116 ARG HB3 H 1 1.87 0.04 . 2 . . . A 116 ARG HB3 . 25643 1 1055 . 1 1 116 116 ARG HG2 H 1 1.33 0 . 1 . . . A 116 ARG HG2 . 25643 1 1056 . 1 1 116 116 ARG HG3 H 1 1.33 0 . 1 . . . A 116 ARG HG3 . 25643 1 1057 . 1 1 116 116 ARG HD2 H 1 3.14 0.03 . 1 . . . A 116 ARG HD2 . 25643 1 1058 . 1 1 116 116 ARG HD3 H 1 3.14 0.03 . 1 . . . A 116 ARG HD3 . 25643 1 1059 . 1 1 116 116 ARG CA C 13 61.19 0.11 . 1 . . . A 116 ARG CA . 25643 1 1060 . 1 1 116 116 ARG CB C 13 30.27 0.11 . 1 . . . A 116 ARG CB . 25643 1 1061 . 1 1 116 116 ARG CG C 13 27.18 0.06 . 1 . . . A 116 ARG CG . 25643 1 1062 . 1 1 116 116 ARG CD C 13 43.5 0.09 . 1 . . . A 116 ARG CD . 25643 1 1063 . 1 1 116 116 ARG N N 15 119.62 0.08 . 1 . . . A 116 ARG N . 25643 1 1064 . 1 1 117 117 SER H H 1 7.98 0.01 . 1 . . . A 117 SER H . 25643 1 1065 . 1 1 117 117 SER HA H 1 4.14 0.03 . 1 . . . A 117 SER HA . 25643 1 1066 . 1 1 117 117 SER HB2 H 1 3.94 0.04 . 2 . . . A 117 SER HB2 . 25643 1 1067 . 1 1 117 117 SER HB3 H 1 3.95 0.03 . 2 . . . A 117 SER HB3 . 25643 1 1068 . 1 1 117 117 SER CA C 13 61.72 0.08 . 1 . . . A 117 SER CA . 25643 1 1069 . 1 1 117 117 SER CB C 13 62.69 0.12 . 1 . . . A 117 SER CB . 25643 1 1070 . 1 1 117 117 SER N N 15 115.2 0.04 . 1 . . . A 117 SER N . 25643 1 1071 . 1 1 118 118 LEU H H 1 8.17 0.01 . 1 . . . A 118 LEU H . 25643 1 1072 . 1 1 118 118 LEU HA H 1 3.84 0.03 . 1 . . . A 118 LEU HA . 25643 1 1073 . 1 1 118 118 LEU HB2 H 1 1.71 0.04 . 2 . . . A 118 LEU HB2 . 25643 1 1074 . 1 1 118 118 LEU HB3 H 1 1.72 0.05 . 2 . . . A 118 LEU HB3 . 25643 1 1075 . 1 1 118 118 LEU HG H 1 1.62 0.03 . 1 . . . A 118 LEU HG . 25643 1 1076 . 1 1 118 118 LEU HD11 H 1 0.7 0.04 . 2 . . . A 118 LEU HD11 . 25643 1 1077 . 1 1 118 118 LEU HD12 H 1 0.7 0.04 . 2 . . . A 118 LEU HD11 . 25643 1 1078 . 1 1 118 118 LEU HD13 H 1 0.7 0.04 . 2 . . . A 118 LEU HD11 . 25643 1 1079 . 1 1 118 118 LEU HD21 H 1 0.71 0.03 . 2 . . . A 118 LEU HD21 . 25643 1 1080 . 1 1 118 118 LEU HD22 H 1 0.71 0.03 . 2 . . . A 118 LEU HD21 . 25643 1 1081 . 1 1 118 118 LEU HD23 H 1 0.71 0.03 . 2 . . . A 118 LEU HD21 . 25643 1 1082 . 1 1 118 118 LEU CA C 13 58.05 0.11 . 1 . . . A 118 LEU CA . 25643 1 1083 . 1 1 118 118 LEU CB C 13 42.47 0.04 . 1 . . . A 118 LEU CB . 25643 1 1084 . 1 1 118 118 LEU CG C 13 25.73 0.07 . 1 . . . A 118 LEU CG . 25643 1 1085 . 1 1 118 118 LEU CD1 C 13 25.72 0.07 . 2 . . . A 118 LEU CD1 . 25643 1 1086 . 1 1 118 118 LEU CD2 C 13 25.74 0.11 . 2 . . . A 118 LEU CD2 . 25643 1 1087 . 1 1 118 118 LEU N N 15 123.53 0.13 . 1 . . . A 118 LEU N . 25643 1 1088 . 1 1 119 119 ILE H H 1 8.38 0.02 . 1 . . . A 119 ILE H . 25643 1 1089 . 1 1 119 119 ILE HA H 1 3.51 0.03 . 1 . . . A 119 ILE HA . 25643 1 1090 . 1 1 119 119 ILE HB H 1 1.84 0.03 . 1 . . . A 119 ILE HB . 25643 1 1091 . 1 1 119 119 ILE HG12 H 1 1.38 0.01 . 1 . . . A 119 ILE HG12 . 25643 1 1092 . 1 1 119 119 ILE HG13 H 1 1.38 0.01 . 1 . . . A 119 ILE HG13 . 25643 1 1093 . 1 1 119 119 ILE HG21 H 1 0.81 0.04 . 1 . . . A 119 ILE HG21 . 25643 1 1094 . 1 1 119 119 ILE HG22 H 1 0.81 0.04 . 1 . . . A 119 ILE HG21 . 25643 1 1095 . 1 1 119 119 ILE HG23 H 1 0.81 0.04 . 1 . . . A 119 ILE HG21 . 25643 1 1096 . 1 1 119 119 ILE HD11 H 1 0.79 0.03 . 1 . . . A 119 ILE HD11 . 25643 1 1097 . 1 1 119 119 ILE HD12 H 1 0.79 0.03 . 1 . . . A 119 ILE HD11 . 25643 1 1098 . 1 1 119 119 ILE HD13 H 1 0.79 0.03 . 1 . . . A 119 ILE HD11 . 25643 1 1099 . 1 1 119 119 ILE CA C 13 66.64 0.11 . 1 . . . A 119 ILE CA . 25643 1 1100 . 1 1 119 119 ILE CB C 13 38.01 0.15 . 1 . . . A 119 ILE CB . 25643 1 1101 . 1 1 119 119 ILE CG1 C 13 30.12 0 . 1 . . . A 119 ILE CG1 . 25643 1 1102 . 1 1 119 119 ILE CG2 C 13 17.47 0.07 . 1 . . . A 119 ILE CG2 . 25643 1 1103 . 1 1 119 119 ILE CD1 C 13 15.22 0.05 . 1 . . . A 119 ILE CD1 . 25643 1 1104 . 1 1 119 119 ILE N N 15 119.1 0.05 . 1 . . . A 119 ILE N . 25643 1 1105 . 1 1 120 120 GLY H H 1 8.17 0 . 1 . . . A 120 GLY H . 25643 1 1106 . 1 1 120 120 GLY HA2 H 1 3.86 0.02 . 2 . . . A 120 GLY HA2 . 25643 1 1107 . 1 1 120 120 GLY HA3 H 1 3.75 0.03 . 2 . . . A 120 GLY HA3 . 25643 1 1108 . 1 1 120 120 GLY CA C 13 47.38 0.07 . 1 . . . A 120 GLY CA . 25643 1 1109 . 1 1 120 120 GLY N N 15 103.74 0.01 . 1 . . . A 120 GLY N . 25643 1 1110 . 1 1 121 121 MET H H 1 7.69 0.05 . 1 . . . A 121 MET H . 25643 1 1111 . 1 1 121 121 MET HA H 1 4.07 0.03 . 1 . . . A 121 MET HA . 25643 1 1112 . 1 1 121 121 MET HB2 H 1 1.94 0.04 . 1 . . . A 121 MET HB2 . 25643 1 1113 . 1 1 121 121 MET HB3 H 1 1.94 0.05 . 1 . . . A 121 MET HB3 . 25643 1 1114 . 1 1 121 121 MET HG2 H 1 2.27 0.03 . 2 . . . A 121 MET HG2 . 25643 1 1115 . 1 1 121 121 MET HG3 H 1 2.48 0.04 . 2 . . . A 121 MET HG3 . 25643 1 1116 . 1 1 121 121 MET CA C 13 58.73 0.07 . 1 . . . A 121 MET CA . 25643 1 1117 . 1 1 121 121 MET CB C 13 32.99 0.25 . 1 . . . A 121 MET CB . 25643 1 1118 . 1 1 121 121 MET CG C 13 32 0.05 . 1 . . . A 121 MET CG . 25643 1 1119 . 1 1 121 121 MET N N 15 120.94 0.12 . 1 . . . A 121 MET N . 25643 1 1120 . 1 1 122 122 PHE H H 1 8.47 0.02 . 1 . . . A 122 PHE H . 25643 1 1121 . 1 1 122 122 PHE HA H 1 4.39 0.02 . 1 . . . A 122 PHE HA . 25643 1 1122 . 1 1 122 122 PHE HB2 H 1 2.86 0.04 . 2 . . . A 122 PHE HB2 . 25643 1 1123 . 1 1 122 122 PHE HB3 H 1 3.14 0.03 . 2 . . . A 122 PHE HB3 . 25643 1 1124 . 1 1 122 122 PHE HD1 H 1 7.23 0.01 . 1 . . . A 122 PHE HD1 . 25643 1 1125 . 1 1 122 122 PHE HD2 H 1 7.23 0.01 . 1 . . . A 122 PHE HD2 . 25643 1 1126 . 1 1 122 122 PHE HE1 H 1 7 0.01 . 1 . . . A 122 PHE HE1 . 25643 1 1127 . 1 1 122 122 PHE HE2 H 1 7 0.01 . 1 . . . A 122 PHE HE2 . 25643 1 1128 . 1 1 122 122 PHE HZ H 1 7.11 0.01 . 1 . . . A 122 PHE HZ . 25643 1 1129 . 1 1 122 122 PHE CA C 13 59.72 0.12 . 1 . . . A 122 PHE CA . 25643 1 1130 . 1 1 122 122 PHE CB C 13 38.26 0.08 . 1 . . . A 122 PHE CB . 25643 1 1131 . 1 1 122 122 PHE CD1 C 13 131.33 0.08 . 1 . . . A 122 PHE CD1 . 25643 1 1132 . 1 1 122 122 PHE CD2 C 13 131.33 0.08 . 1 . . . A 122 PHE CD2 . 25643 1 1133 . 1 1 122 122 PHE CE1 C 13 130.85 0.04 . 1 . . . A 122 PHE CE1 . 25643 1 1134 . 1 1 122 122 PHE CE2 C 13 130.85 0.04 . 1 . . . A 122 PHE CE2 . 25643 1 1135 . 1 1 122 122 PHE CZ C 13 129.38 0.05 . 1 . . . A 122 PHE CZ . 25643 1 1136 . 1 1 122 122 PHE N N 15 119.5 0.19 . 1 . . . A 122 PHE N . 25643 1 1137 . 1 1 123 123 ALA H H 1 8.36 0.01 . 1 . . . A 123 ALA H . 25643 1 1138 . 1 1 123 123 ALA HA H 1 4.2 0.02 . 1 . . . A 123 ALA HA . 25643 1 1139 . 1 1 123 123 ALA HB1 H 1 1.49 0.03 . 1 . . . A 123 ALA HB1 . 25643 1 1140 . 1 1 123 123 ALA HB2 H 1 1.49 0.03 . 1 . . . A 123 ALA HB1 . 25643 1 1141 . 1 1 123 123 ALA HB3 H 1 1.49 0.03 . 1 . . . A 123 ALA HB1 . 25643 1 1142 . 1 1 123 123 ALA CA C 13 54.34 0.09 . 1 . . . A 123 ALA CA . 25643 1 1143 . 1 1 123 123 ALA CB C 13 19.14 0.05 . 1 . . . A 123 ALA CB . 25643 1 1144 . 1 1 123 123 ALA N N 15 122.25 0.03 . 1 . . . A 123 ALA N . 25643 1 1145 . 1 1 124 124 GLN H H 1 7.72 0.02 . 1 . . . A 124 GLN H . 25643 1 1146 . 1 1 124 124 GLN HA H 1 4.15 0.02 . 1 . . . A 124 GLN HA . 25643 1 1147 . 1 1 124 124 GLN HB2 H 1 2.07 0.04 . 2 . . . A 124 GLN HB2 . 25643 1 1148 . 1 1 124 124 GLN HB3 H 1 2.08 0.04 . 2 . . . A 124 GLN HB3 . 25643 1 1149 . 1 1 124 124 GLN HG2 H 1 2.42 0.03 . 2 . . . A 124 GLN HG2 . 25643 1 1150 . 1 1 124 124 GLN HG3 H 1 2.37 0.02 . 2 . . . A 124 GLN HG3 . 25643 1 1151 . 1 1 124 124 GLN HE21 H 1 7.38 0.00 . 2 . . . A 124 GLN HE21 . 25643 1 1152 . 1 1 124 124 GLN HE22 H 1 6.78 0.00 . 2 . . . A 124 GLN HE22 . 25643 1 1153 . 1 1 124 124 GLN CA C 13 57.17 0.06 . 1 . . . A 124 GLN CA . 25643 1 1154 . 1 1 124 124 GLN CB C 13 29.04 0.08 . 1 . . . A 124 GLN CB . 25643 1 1155 . 1 1 124 124 GLN CG C 13 34 0.13 . 1 . . . A 124 GLN CG . 25643 1 1156 . 1 1 124 124 GLN N N 15 117.12 0.04 . 1 . . . A 124 GLN N . 25643 1 1157 . 1 1 125 125 ALA H H 1 7.89 0.03 . 1 . . . A 125 ALA H . 25643 1 1158 . 1 1 125 125 ALA HA H 1 4.21 0.03 . 1 . . . A 125 ALA HA . 25643 1 1159 . 1 1 125 125 ALA HB1 H 1 1.41 0.03 . 1 . . . A 125 ALA HB1 . 25643 1 1160 . 1 1 125 125 ALA HB2 H 1 1.41 0.03 . 1 . . . A 125 ALA HB1 . 25643 1 1161 . 1 1 125 125 ALA HB3 H 1 1.41 0.03 . 1 . . . A 125 ALA HB1 . 25643 1 1162 . 1 1 125 125 ALA CA C 13 53.65 0.06 . 1 . . . A 125 ALA CA . 25643 1 1163 . 1 1 125 125 ALA CB C 13 18.96 0.08 . 1 . . . A 125 ALA CB . 25643 1 1164 . 1 1 125 125 ALA N N 15 122.81 0.1 . 1 . . . A 125 ALA N . 25643 1 1165 . 1 1 126 126 SER H H 1 7.98 0.01 . 1 . . . A 126 SER H . 25643 1 1166 . 1 1 126 126 SER HA H 1 4.36 0.02 . 1 . . . A 126 SER HA . 25643 1 1167 . 1 1 126 126 SER HB2 H 1 3.81 0.05 . 2 . . . A 126 SER HB2 . 25643 1 1168 . 1 1 126 126 SER HB3 H 1 3.88 0.02 . 2 . . . A 126 SER HB3 . 25643 1 1169 . 1 1 126 126 SER CA C 13 59.09 0.07 . 1 . . . A 126 SER CA . 25643 1 1170 . 1 1 126 126 SER CB C 13 63.85 0.08 . 1 . . . A 126 SER CB . 25643 1 1171 . 1 1 126 126 SER N N 15 113.75 0.17 . 1 . . . A 126 SER N . 25643 1 1172 . 1 1 127 127 ALA H H 1 7.96 0.01 . 1 . . . A 127 ALA H . 25643 1 1173 . 1 1 127 127 ALA HA H 1 4.24 0.04 . 1 . . . A 127 ALA HA . 25643 1 1174 . 1 1 127 127 ALA HB1 H 1 1.39 0.03 . 1 . . . A 127 ALA HB1 . 25643 1 1175 . 1 1 127 127 ALA HB2 H 1 1.39 0.03 . 1 . . . A 127 ALA HB1 . 25643 1 1176 . 1 1 127 127 ALA HB3 H 1 1.39 0.03 . 1 . . . A 127 ALA HB1 . 25643 1 1177 . 1 1 127 127 ALA CA C 13 53.17 0.04 . 1 . . . A 127 ALA CA . 25643 1 1178 . 1 1 127 127 ALA CB C 13 19.01 0.02 . 1 . . . A 127 ALA CB . 25643 1 1179 . 1 1 127 127 ALA N N 15 124.96 0.03 . 1 . . . A 127 ALA N . 25643 1 1180 . 1 1 128 128 ASN H H 1 8.1 0.01 . 1 . . . A 128 ASN H . 25643 1 1181 . 1 1 128 128 ASN HA H 1 4.63 0.03 . 1 . . . A 128 ASN HA . 25643 1 1182 . 1 1 128 128 ASN HB2 H 1 2.68 0.03 . 2 . . . A 128 ASN HB2 . 25643 1 1183 . 1 1 128 128 ASN HB3 H 1 2.78 0.03 . 2 . . . A 128 ASN HB3 . 25643 1 1184 . 1 1 128 128 ASN CA C 13 53.55 0.05 . 1 . . . A 128 ASN CA . 25643 1 1185 . 1 1 128 128 ASN CB C 13 39.18 0.06 . 1 . . . A 128 ASN CB . 25643 1 1186 . 1 1 128 128 ASN N N 15 116.91 0.06 . 1 . . . A 128 ASN N . 25643 1 1187 . 1 1 129 129 ASP H H 1 8.11 0.01 . 1 . . . A 129 ASP H . 25643 1 1188 . 1 1 129 129 ASP HA H 1 4.53 0.02 . 1 . . . A 129 ASP HA . 25643 1 1189 . 1 1 129 129 ASP HB2 H 1 2.61 0.03 . 1 . . . A 129 ASP HB2 . 25643 1 1190 . 1 1 129 129 ASP HB3 H 1 2.61 0.03 . 1 . . . A 129 ASP HB3 . 25643 1 1191 . 1 1 129 129 ASP CA C 13 54.7 0.09 . 1 . . . A 129 ASP CA . 25643 1 1192 . 1 1 129 129 ASP CB C 13 41.15 0.08 . 1 . . . A 129 ASP CB . 25643 1 1193 . 1 1 129 129 ASP N N 15 120.68 0.07 . 1 . . . A 129 ASP N . 25643 1 1194 . 1 1 130 130 VAL H H 1 7.86 0.01 . 1 . . . A 130 VAL H . 25643 1 1195 . 1 1 130 130 VAL HA H 1 3.87 0.02 . 1 . . . A 130 VAL HA . 25643 1 1196 . 1 1 130 130 VAL HB H 1 1.89 0.02 . 1 . . . A 130 VAL HB . 25643 1 1197 . 1 1 130 130 VAL HG11 H 1 0.69 0.03 . 1 . . . A 130 VAL HG11 . 25643 1 1198 . 1 1 130 130 VAL HG12 H 1 0.69 0.03 . 1 . . . A 130 VAL HG11 . 25643 1 1199 . 1 1 130 130 VAL HG13 H 1 0.69 0.03 . 1 . . . A 130 VAL HG11 . 25643 1 1200 . 1 1 130 130 VAL HG21 H 1 0.69 0.03 . 1 . . . A 130 VAL HG11 . 25643 1 1201 . 1 1 130 130 VAL HG22 H 1 0.69 0.03 . 1 . . . A 130 VAL HG11 . 25643 1 1202 . 1 1 130 130 VAL HG23 H 1 0.69 0.03 . 1 . . . A 130 VAL HG11 . 25643 1 1203 . 1 1 130 130 VAL CA C 13 63.17 0.07 . 1 . . . A 130 VAL CA . 25643 1 1204 . 1 1 130 130 VAL CB C 13 32.41 0.04 . 1 . . . A 130 VAL CB . 25643 1 1205 . 1 1 130 130 VAL CG1 C 13 20.6 0.22 . 1 . . . A 130 VAL CG1 . 25643 1 1206 . 1 1 130 130 VAL CG2 C 13 20.6 0.22 . 1 . . . A 130 VAL CG1 . 25643 1 1207 . 1 1 130 130 VAL N N 15 119.67 0.04 . 1 . . . A 130 VAL N . 25643 1 1208 . 1 1 131 131 TYR H H 1 8.04 0.01 . 1 . . . A 131 TYR H . 25643 1 1209 . 1 1 131 131 TYR HA H 1 4.47 0.02 . 1 . . . A 131 TYR HA . 25643 1 1210 . 1 1 131 131 TYR HB2 H 1 2.84 0.03 . 2 . . . A 131 TYR HB2 . 25643 1 1211 . 1 1 131 131 TYR HB3 H 1 3.04 0.03 . 2 . . . A 131 TYR HB3 . 25643 1 1212 . 1 1 131 131 TYR HD1 H 1 7.03 0.01 . 1 . . . A 131 TYR HD1 . 25643 1 1213 . 1 1 131 131 TYR HD2 H 1 7.03 0.01 . 1 . . . A 131 TYR HD2 . 25643 1 1214 . 1 1 131 131 TYR HE1 H 1 6.71 0.01 . 1 . . . A 131 TYR HE1 . 25643 1 1215 . 1 1 131 131 TYR HE2 H 1 6.71 0.01 . 1 . . . A 131 TYR HE2 . 25643 1 1216 . 1 1 131 131 TYR CA C 13 58.09 0.03 . 1 . . . A 131 TYR CA . 25643 1 1217 . 1 1 131 131 TYR CB C 13 38.45 0.08 . 1 . . . A 131 TYR CB . 25643 1 1218 . 1 1 131 131 TYR CD1 C 13 133.09 0.08 . 1 . . . A 131 TYR CD1 . 25643 1 1219 . 1 1 131 131 TYR CD2 C 13 133.09 0.08 . 1 . . . A 131 TYR CD2 . 25643 1 1220 . 1 1 131 131 TYR CE1 C 13 118.28 0.06 . 1 . . . A 131 TYR CE1 . 25643 1 1221 . 1 1 131 131 TYR CE2 C 13 118.28 0.06 . 1 . . . A 131 TYR CE2 . 25643 1 1222 . 1 1 131 131 TYR N N 15 122.03 0.04 . 1 . . . A 131 TYR N . 25643 1 1223 . 1 1 132 132 ALA H H 1 7.92 0.03 . 1 . . . A 132 ALA H . 25643 1 1224 . 1 1 132 132 ALA HA H 1 4.22 0.02 . 1 . . . A 132 ALA HA . 25643 1 1225 . 1 1 132 132 ALA HB1 H 1 1.35 0.03 . 1 . . . A 132 ALA HB1 . 25643 1 1226 . 1 1 132 132 ALA HB2 H 1 1.35 0.03 . 1 . . . A 132 ALA HB1 . 25643 1 1227 . 1 1 132 132 ALA HB3 H 1 1.35 0.03 . 1 . . . A 132 ALA HB1 . 25643 1 1228 . 1 1 132 132 ALA CA C 13 52.84 0.07 . 1 . . . A 132 ALA CA . 25643 1 1229 . 1 1 132 132 ALA CB C 13 19.24 0.08 . 1 . . . A 132 ALA CB . 25643 1 1230 . 1 1 132 132 ALA N N 15 124.84 0.02 . 1 . . . A 132 ALA N . 25643 1 1231 . 1 1 133 133 SER H H 1 8.1 0.01 . 1 . . . A 133 SER H . 25643 1 1232 . 1 1 133 133 SER HA H 1 4.34 0.03 . 1 . . . A 133 SER HA . 25643 1 1233 . 1 1 133 133 SER HB2 H 1 3.82 0.05 . 1 . . . A 133 SER HB2 . 25643 1 1234 . 1 1 133 133 SER HB3 H 1 3.82 0.05 . 1 . . . A 133 SER HB2 . 25643 1 1235 . 1 1 133 133 SER CA C 13 58.41 0.03 . 1 . . . A 133 SER CA . 25643 1 1236 . 1 1 133 133 SER CB C 13 64.04 0.12 . 1 . . . A 133 SER CB . 25643 1 1237 . 1 1 133 133 SER N N 15 114.78 0.00 . 1 . . . A 133 SER N . 25643 1 1238 . 1 1 134 134 ALA H H 1 8.23 0.00 . 1 . . . A 134 ALA H . 25643 1 1239 . 1 1 134 134 ALA N N 15 125.93 0.00 . 1 . . . A 134 ALA N . 25643 1 1240 . 1 1 134 134 ALA CA C 13 52.87 0.00 . 1 . . . A 134 ALA CA . 25643 1 1241 . 1 1 134 134 ALA CB C 13 19.32 0.00 . 1 . . . A 134 ALA CB . 25643 1 1242 . 1 1 135 135 GLY H H 1 8.23 0.00 . 1 . . . A 135 GLY H . 25643 1 1243 . 1 1 135 135 GLY N N 15 108.14 0.00 . 1 . . . A 135 GLY N . 25643 1 1244 . 1 1 135 135 GLY CA C 13 45.43 0.00 . 1 . . . A 135 GLY CA . 25643 1 1245 . 1 1 136 136 SER H H 1 8.14 0.00 . 1 . . . A 136 SER H . 25643 1 1246 . 1 1 136 136 SER N N 15 115.69 0.00 . 1 . . . A 136 SER N . 25643 1 1247 . 1 1 136 136 SER CA C 13 58.38 0.00 . 1 . . . A 136 SER CA . 25643 1 1248 . 1 1 136 136 SER CB C 13 64.19 0.00 . 1 . . . A 136 SER CB . 25643 1 1249 . 1 1 137 137 GLY H H 1 8.04 0.00 . 1 . . . A 137 GLY H . 25643 1 1250 . 1 1 137 137 GLY N N 15 117.04 0.00 . 1 . . . A 137 GLY N . 25643 1 1251 . 1 1 137 137 GLY CA C 13 46.32 0.00 . 1 . . . A 137 GLY CA . 25643 1 stop_ save_