data_52227 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52227 _Entry.Title ; egg case protein 3 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-12-05 _Entry.Accession_date 2023-12-05 _Entry.Last_release_date 2023-12-05 _Entry.Original_release_date 2023-12-05 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Shuixin Yu . . . . 52227 2 Ruiqi Qin . . . . 52227 3 Zhi Lin . . . . 52227 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52227 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 242 52227 '15N chemical shifts' 103 52227 '1H chemical shifts' 520 52227 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2024-12-23 2023-12-05 update BMRB 'update entry citation' 52227 1 . . 2024-12-11 2023-12-05 original author 'original release' 52227 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52227 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 39180712 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H, 15N and 13C resonance assignments of eggcase silk protein 3 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 18 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _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 227 _Citation.Page_last 232 _Citation.Year 2024 _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 Shuixin Yu S. . . . 52227 1 2 Ruiqi Qin R. . . . 52227 1 3 Wensu Yuan W. . . . 52227 1 4 Zhi Lin Z. . . . 52227 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52227 _Assembly.ID 1 _Assembly.Name ECP3 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 ECP3 1 $entity_1 . . yes native no no . . . 52227 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 25 25 SG . 1 . 1 CYS 34 34 SG . . . . . . . . . . . . 52227 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52227 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MHHHHHHSSGENLYFQGSES MSSSCTYVDGVQRCTQQKSQ GNVAMSSSQAGYGQGQSYSS NYAATGDSGTGQGGYSSMRS GNPPPFPGNGPFAGAATGPA AAAFDPFGFVFGRR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites yes _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 114 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes NCBI HQ005929.1 . . . . . . . . . . . . . . . . 52227 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 3 MET . 52227 1 2 4 HIS . 52227 1 3 5 HIS . 52227 1 4 6 HIS . 52227 1 5 7 HIS . 52227 1 6 8 HIS . 52227 1 7 9 HIS . 52227 1 8 10 SER . 52227 1 9 11 SER . 52227 1 10 12 GLY . 52227 1 11 13 GLU . 52227 1 12 14 ASN . 52227 1 13 15 LEU . 52227 1 14 16 TYR . 52227 1 15 17 PHE . 52227 1 16 18 GLN . 52227 1 17 19 GLY . 52227 1 18 20 SER . 52227 1 19 21 GLU . 52227 1 20 22 SER . 52227 1 21 23 MET . 52227 1 22 24 SER . 52227 1 23 25 SER . 52227 1 24 26 SER . 52227 1 25 27 CYS . 52227 1 26 28 THR . 52227 1 27 29 TYR . 52227 1 28 30 VAL . 52227 1 29 31 ASP . 52227 1 30 32 GLY . 52227 1 31 33 VAL . 52227 1 32 34 GLN . 52227 1 33 35 ARG . 52227 1 34 36 CYS . 52227 1 35 37 THR . 52227 1 36 38 GLN . 52227 1 37 39 GLN . 52227 1 38 40 LYS . 52227 1 39 41 SER . 52227 1 40 42 GLN . 52227 1 41 43 GLY . 52227 1 42 44 ASN . 52227 1 43 45 VAL . 52227 1 44 46 ALA . 52227 1 45 47 MET . 52227 1 46 48 SER . 52227 1 47 49 SER . 52227 1 48 50 SER . 52227 1 49 51 GLN . 52227 1 50 52 ALA . 52227 1 51 53 GLY . 52227 1 52 54 TYR . 52227 1 53 55 GLY . 52227 1 54 56 GLN . 52227 1 55 57 GLY . 52227 1 56 58 GLN . 52227 1 57 59 SER . 52227 1 58 60 TYR . 52227 1 59 61 SER . 52227 1 60 62 SER . 52227 1 61 63 ASN . 52227 1 62 64 TYR . 52227 1 63 65 ALA . 52227 1 64 66 ALA . 52227 1 65 67 THR . 52227 1 66 68 GLY . 52227 1 67 69 ASP . 52227 1 68 70 SER . 52227 1 69 71 GLY . 52227 1 70 72 THR . 52227 1 71 73 GLY . 52227 1 72 74 GLN . 52227 1 73 75 GLY . 52227 1 74 76 GLY . 52227 1 75 77 TYR . 52227 1 76 78 SER . 52227 1 77 79 SER . 52227 1 78 80 MET . 52227 1 79 81 ARG . 52227 1 80 82 SER . 52227 1 81 83 GLY . 52227 1 82 84 ASN . 52227 1 83 85 PRO . 52227 1 84 86 PRO . 52227 1 85 87 PRO . 52227 1 86 88 PHE . 52227 1 87 89 PRO . 52227 1 88 90 GLY . 52227 1 89 91 ASN . 52227 1 90 92 GLY . 52227 1 91 93 PRO . 52227 1 92 94 PHE . 52227 1 93 95 ALA . 52227 1 94 96 GLY . 52227 1 95 97 ALA . 52227 1 96 98 ALA . 52227 1 97 99 THR . 52227 1 98 100 GLY . 52227 1 99 101 PRO . 52227 1 100 102 ALA . 52227 1 101 103 ALA . 52227 1 102 104 ALA . 52227 1 103 105 ALA . 52227 1 104 106 PHE . 52227 1 105 107 ASP . 52227 1 106 108 PRO . 52227 1 107 109 PHE . 52227 1 108 110 GLY . 52227 1 109 111 PHE . 52227 1 110 112 VAL . 52227 1 111 113 PHE . 52227 1 112 114 GLY . 52227 1 113 115 ARG . 52227 1 114 116 ARG . 52227 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 52227 1 . HIS 2 2 52227 1 . HIS 3 3 52227 1 . HIS 4 4 52227 1 . HIS 5 5 52227 1 . HIS 6 6 52227 1 . HIS 7 7 52227 1 . SER 8 8 52227 1 . SER 9 9 52227 1 . GLY 10 10 52227 1 . GLU 11 11 52227 1 . ASN 12 12 52227 1 . LEU 13 13 52227 1 . TYR 14 14 52227 1 . PHE 15 15 52227 1 . GLN 16 16 52227 1 . GLY 17 17 52227 1 . SER 18 18 52227 1 . GLU 19 19 52227 1 . SER 20 20 52227 1 . MET 21 21 52227 1 . SER 22 22 52227 1 . SER 23 23 52227 1 . SER 24 24 52227 1 . CYS 25 25 52227 1 . THR 26 26 52227 1 . TYR 27 27 52227 1 . VAL 28 28 52227 1 . ASP 29 29 52227 1 . GLY 30 30 52227 1 . VAL 31 31 52227 1 . GLN 32 32 52227 1 . ARG 33 33 52227 1 . CYS 34 34 52227 1 . THR 35 35 52227 1 . GLN 36 36 52227 1 . GLN 37 37 52227 1 . LYS 38 38 52227 1 . SER 39 39 52227 1 . GLN 40 40 52227 1 . GLY 41 41 52227 1 . ASN 42 42 52227 1 . VAL 43 43 52227 1 . ALA 44 44 52227 1 . MET 45 45 52227 1 . SER 46 46 52227 1 . SER 47 47 52227 1 . SER 48 48 52227 1 . GLN 49 49 52227 1 . ALA 50 50 52227 1 . GLY 51 51 52227 1 . TYR 52 52 52227 1 . GLY 53 53 52227 1 . GLN 54 54 52227 1 . GLY 55 55 52227 1 . GLN 56 56 52227 1 . SER 57 57 52227 1 . TYR 58 58 52227 1 . SER 59 59 52227 1 . SER 60 60 52227 1 . ASN 61 61 52227 1 . TYR 62 62 52227 1 . ALA 63 63 52227 1 . ALA 64 64 52227 1 . THR 65 65 52227 1 . GLY 66 66 52227 1 . ASP 67 67 52227 1 . SER 68 68 52227 1 . GLY 69 69 52227 1 . THR 70 70 52227 1 . GLY 71 71 52227 1 . GLN 72 72 52227 1 . GLY 73 73 52227 1 . GLY 74 74 52227 1 . TYR 75 75 52227 1 . SER 76 76 52227 1 . SER 77 77 52227 1 . MET 78 78 52227 1 . ARG 79 79 52227 1 . SER 80 80 52227 1 . GLY 81 81 52227 1 . ASN 82 82 52227 1 . PRO 83 83 52227 1 . PRO 84 84 52227 1 . PRO 85 85 52227 1 . PHE 86 86 52227 1 . PRO 87 87 52227 1 . GLY 88 88 52227 1 . ASN 89 89 52227 1 . GLY 90 90 52227 1 . PRO 91 91 52227 1 . PHE 92 92 52227 1 . ALA 93 93 52227 1 . GLY 94 94 52227 1 . ALA 95 95 52227 1 . ALA 96 96 52227 1 . THR 97 97 52227 1 . GLY 98 98 52227 1 . PRO 99 99 52227 1 . ALA 100 100 52227 1 . ALA 101 101 52227 1 . ALA 102 102 52227 1 . ALA 103 103 52227 1 . PHE 104 104 52227 1 . ASP 105 105 52227 1 . PRO 106 106 52227 1 . PHE 107 107 52227 1 . GLY 108 108 52227 1 . PHE 109 109 52227 1 . VAL 110 110 52227 1 . PHE 111 111 52227 1 . GLY 112 112 52227 1 . ARG 113 113 52227 1 . ARG 114 114 52227 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 52227 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 256737 organism . 'Latrodectus hesperus' 'western black widow' . . Eukaryota Metazoa Latrodectus hesperus . . . . . . . . . . . . . 52227 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 52227 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET32a+ . . . 52227 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52227 _Sample.ID 1 _Sample.Name ECP3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% 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 ECP3 '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.6 . . mM . . . . 52227 1 2 'sodium acetate' D4 . . . . . . 5 . . mM . . . . 52227 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 52227 _Sample_condition_list.ID 1 _Sample_condition_list.Name ECP3_condition1 _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' 5 . mM 52227 1 pH 4.5 . pH 52227 1 pressure 1 . atm 52227 1 temperature 293 . K 52227 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52227 _Software.ID 1 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52227 1 'data analysis' . 52227 1 'peak picking' . 52227 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52227 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 52227 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 52227 _Software.ID 3 _Software.Type . _Software.Name NMRDraw _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 52227 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 52227 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 700' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 52227 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-13C HSQC aliphatic' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52227 1 2 '2D 1H-15N HSQC' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52227 1 3 '3D HNCA' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52227 1 4 '3D HN(CO)CA' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52227 1 5 '3D HCCH-TOCSY' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52227 1 6 '4D time-shared 13C, 15N-edited NOESY' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52227 1 7 '2D 1H-13C HSQC aromatic' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52227 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 52227 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name ECP3_Chem_shift_reference _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 na indirect 0.251449530 . . . . . 52227 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 52227 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect 0.101329118 . . . . . 52227 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 52227 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'ECP3_Assigned_chemical shift' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-13C HSQC aliphatic' . . . 52227 1 2 '2D 1H-15N HSQC' . . . 52227 1 3 '3D HNCA' . . . 52227 1 4 '3D HN(CO)CA' . . . 52227 1 5 '3D HCCH-TOCSY' . . . 52227 1 6 '4D time-shared 13C, 15N-edited NOESY' . . . 52227 1 7 '2D 1H-13C HSQC aromatic' . . . 52227 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52227 1 2 $software_2 . . 52227 1 3 $software_3 . . 52227 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 19 19 GLU H H 1 8.503 0.02 . 1 . . . . . 21 GLU HN . 52227 1 2 . 1 . 1 19 19 GLU HA H 1 4.178 0.02 . 1 . . . . . 21 GLU HA . 52227 1 3 . 1 . 1 19 19 GLU HB2 H 1 1.921 0.02 . 2 . . . . . 21 GLU HB1 . 52227 1 4 . 1 . 1 19 19 GLU HB3 H 1 1.817 0.02 . 2 . . . . . 21 GLU HB2 . 52227 1 5 . 1 . 1 19 19 GLU HG2 H 1 2.132 0.02 . 2 . . . . . 21 GLU HG1 . 52227 1 6 . 1 . 1 19 19 GLU HG3 H 1 2.179 0.02 . 2 . . . . . 21 GLU HG2 . 52227 1 7 . 1 . 1 19 19 GLU CA C 13 56.767 0.3 . 1 . . . . . 21 GLU CA . 52227 1 8 . 1 . 1 19 19 GLU CB C 13 29.587 0.3 . 1 . . . . . 21 GLU CB . 52227 1 9 . 1 . 1 19 19 GLU CG C 13 35.496 0.3 . 1 . . . . . 21 GLU CG . 52227 1 10 . 1 . 1 19 19 GLU N N 15 122.455 0.2 . 1 . . . . . 21 GLU N . 52227 1 11 . 1 . 1 20 20 SER H H 1 8.159 0.02 . 1 . . . . . 22 SER HN . 52227 1 12 . 1 . 1 20 20 SER HA H 1 4.277 0.02 . 1 . . . . . 22 SER HA . 52227 1 13 . 1 . 1 20 20 SER HB2 H 1 3.701 0.02 . 2 . . . . . 22 SER HB1 . 52227 1 14 . 1 . 1 20 20 SER HB3 H 1 3.701 0.02 . 2 . . . . . 22 SER HB2 . 52227 1 15 . 1 . 1 20 20 SER CA C 13 58.475 0.3 . 1 . . . . . 22 SER CA . 52227 1 16 . 1 . 1 20 20 SER CB C 13 63.738 0.3 . 1 . . . . . 22 SER CB . 52227 1 17 . 1 . 1 20 20 SER N N 15 116.020 0.2 . 1 . . . . . 22 SER N . 52227 1 18 . 1 . 1 21 21 MET H H 1 8.200 0.02 . 1 . . . . . 23 MET HN . 52227 1 19 . 1 . 1 21 21 MET HA H 1 4.399 0.02 . 1 . . . . . 23 MET HA . 52227 1 20 . 1 . 1 21 21 MET HB2 H 1 1.948 0.02 . 2 . . . . . 23 MET HB1 . 52227 1 21 . 1 . 1 21 21 MET HB3 H 1 1.851 0.02 . 2 . . . . . 23 MET HB2 . 52227 1 22 . 1 . 1 21 21 MET HG2 H 1 2.440 0.02 . 2 . . . . . 23 MET HG1 . 52227 1 23 . 1 . 1 21 21 MET HG3 H 1 2.372 0.02 . 2 . . . . . 23 MET HG2 . 52227 1 24 . 1 . 1 21 21 MET HE1 H 1 1.895 0.02 . 1 . . . . . 23 MET HE1 . 52227 1 25 . 1 . 1 21 21 MET HE2 H 1 1.895 0.02 . 1 . . . . . 23 MET HE1 . 52227 1 26 . 1 . 1 21 21 MET HE3 H 1 1.895 0.02 . 1 . . . . . 23 MET HE1 . 52227 1 27 . 1 . 1 21 21 MET CA C 13 55.490 0.3 . 1 . . . . . 23 MET CA . 52227 1 28 . 1 . 1 21 21 MET CB C 13 32.935 0.3 . 1 . . . . . 23 MET CB . 52227 1 29 . 1 . 1 21 21 MET CG C 13 31.915 0.3 . 1 . . . . . 23 MET CG . 52227 1 30 . 1 . 1 21 21 MET CE C 13 16.650 0.3 . 1 . . . . . 23 MET CE . 52227 1 31 . 1 . 1 21 21 MET N N 15 121.932 0.2 . 1 . . . . . 23 MET N . 52227 1 32 . 1 . 1 22 22 SER H H 1 8.213 0.02 . 1 . . . . . 24 SER HN . 52227 1 33 . 1 . 1 22 22 SER HA H 1 4.332 0.02 . 1 . . . . . 24 SER HA . 52227 1 34 . 1 . 1 22 22 SER HB2 H 1 3.710 0.02 . 2 . . . . . 24 SER HB1 . 52227 1 35 . 1 . 1 22 22 SER HB3 H 1 3.720 0.02 . 2 . . . . . 24 SER HB2 . 52227 1 36 . 1 . 1 22 22 SER CA C 13 58.320 0.3 . 1 . . . . . 24 SER CA . 52227 1 37 . 1 . 1 22 22 SER CB C 13 63.852 0.3 . 1 . . . . . 24 SER CB . 52227 1 38 . 1 . 1 22 22 SER N N 15 116.450 0.2 . 1 . . . . . 24 SER N . 52227 1 39 . 1 . 1 23 23 SER H H 1 8.207 0.02 . 1 . . . . . 25 SER HN . 52227 1 40 . 1 . 1 23 23 SER HA H 1 4.380 0.02 . 1 . . . . . 25 SER HA . 52227 1 41 . 1 . 1 23 23 SER HB2 H 1 3.712 0.02 . 2 . . . . . 25 SER HB1 . 52227 1 42 . 1 . 1 23 23 SER HB3 H 1 3.712 0.02 . 2 . . . . . 25 SER HB2 . 52227 1 43 . 1 . 1 23 23 SER CA C 13 58.360 0.3 . 1 . . . . . 25 SER CA . 52227 1 44 . 1 . 1 23 23 SER CB C 13 64.034 0.3 . 1 . . . . . 25 SER CB . 52227 1 45 . 1 . 1 23 23 SER N N 15 117.400 0.2 . 1 . . . . . 25 SER N . 52227 1 46 . 1 . 1 24 24 SER H H 1 8.285 0.02 . 1 . . . . . 26 SER HN . 52227 1 47 . 1 . 1 24 24 SER HA H 1 4.467 0.02 . 1 . . . . . 26 SER HA . 52227 1 48 . 1 . 1 24 24 SER HB2 H 1 3.730 0.02 . 2 . . . . . 26 SER HB1 . 52227 1 49 . 1 . 1 24 24 SER HB3 H 1 3.730 0.02 . 2 . . . . . 26 SER HB2 . 52227 1 50 . 1 . 1 24 24 SER CA C 13 58.100 0.3 . 1 . . . . . 26 SER CA . 52227 1 51 . 1 . 1 24 24 SER CB C 13 63.900 0.3 . 1 . . . . . 26 SER CB . 52227 1 52 . 1 . 1 24 24 SER N N 15 117.510 0.2 . 1 . . . . . 26 SER N . 52227 1 53 . 1 . 1 25 25 CYS H H 1 8.283 0.02 . 1 . . . . . 27 CYS HN . 52227 1 54 . 1 . 1 25 25 CYS HA H 1 5.290 0.02 . 1 . . . . . 27 CYS HA . 52227 1 55 . 1 . 1 25 25 CYS HB2 H 1 2.470 0.02 . 2 . . . . . 27 CYS HB1 . 52227 1 56 . 1 . 1 25 25 CYS HB3 H 1 2.914 0.02 . 2 . . . . . 27 CYS HB2 . 52227 1 57 . 1 . 1 25 25 CYS CA C 13 55.739 0.3 . 1 . . . . . 27 CYS CA . 52227 1 58 . 1 . 1 25 25 CYS CB C 13 47.210 0.3 . 1 . . . . . 27 CYS CB . 52227 1 59 . 1 . 1 25 25 CYS N N 15 120.995 0.2 . 1 . . . . . 27 CYS N . 52227 1 60 . 1 . 1 26 26 THR H H 1 8.518 0.02 . 1 . . . . . 28 THR HN . 52227 1 61 . 1 . 1 26 26 THR HA H 1 4.377 0.02 . 1 . . . . . 28 THR HA . 52227 1 62 . 1 . 1 26 26 THR HB H 1 3.965 0.02 . 1 . . . . . 28 THR HB . 52227 1 63 . 1 . 1 26 26 THR HG21 H 1 1.000 0.02 . 1 . . . . . 28 THR HG21 . 52227 1 64 . 1 . 1 26 26 THR HG22 H 1 1.000 0.02 . 1 . . . . . 28 THR HG21 . 52227 1 65 . 1 . 1 26 26 THR HG23 H 1 1.000 0.02 . 1 . . . . . 28 THR HG21 . 52227 1 66 . 1 . 1 26 26 THR CA C 13 60.260 0.3 . 1 . . . . . 28 THR CA . 52227 1 67 . 1 . 1 26 26 THR CB C 13 71.290 0.3 . 1 . . . . . 28 THR CB . 52227 1 68 . 1 . 1 26 26 THR CG2 C 13 20.926 0.3 . 1 . . . . . 28 THR CG2 . 52227 1 69 . 1 . 1 26 26 THR N N 15 115.672 0.2 . 1 . . . . . 28 THR N . 52227 1 70 . 1 . 1 27 27 TYR H H 1 8.457 0.02 . 1 . . . . . 29 TYR HN . 52227 1 71 . 1 . 1 27 27 TYR HA H 1 4.723 0.02 . 1 . . . . . 29 TYR HA . 52227 1 72 . 1 . 1 27 27 TYR HB2 H 1 2.650 0.02 . 2 . . . . . 29 TYR HB1 . 52227 1 73 . 1 . 1 27 27 TYR HB3 H 1 2.595 0.02 . 2 . . . . . 29 TYR HB2 . 52227 1 74 . 1 . 1 27 27 TYR HD1 H 1 6.730 0.02 . 3 . . . . . 29 TYR HD1 . 52227 1 75 . 1 . 1 27 27 TYR HD2 H 1 6.730 0.02 . 3 . . . . . 29 TYR HD2 . 52227 1 76 . 1 . 1 27 27 TYR HE1 H 1 6.603 0.02 . 3 . . . . . 29 TYR HE1 . 52227 1 77 . 1 . 1 27 27 TYR HE2 H 1 6.603 0.02 . 3 . . . . . 29 TYR HE2 . 52227 1 78 . 1 . 1 27 27 TYR CA C 13 57.864 0.3 . 1 . . . . . 29 TYR CA . 52227 1 79 . 1 . 1 27 27 TYR CB C 13 39.689 0.3 . 1 . . . . . 29 TYR CB . 52227 1 80 . 1 . 1 27 27 TYR CD1 C 13 132.734 0.3 . 3 . . . . . 29 TYR CD1 . 52227 1 81 . 1 . 1 27 27 TYR CD2 C 13 132.734 0.3 . 3 . . . . . 29 TYR CD2 . 52227 1 82 . 1 . 1 27 27 TYR CE1 C 13 118.129 0.3 . 3 . . . . . 29 TYR CE1 . 52227 1 83 . 1 . 1 27 27 TYR CE2 C 13 118.129 0.3 . 3 . . . . . 29 TYR CE2 . 52227 1 84 . 1 . 1 27 27 TYR N N 15 122.054 0.2 . 1 . . . . . 29 TYR N . 52227 1 85 . 1 . 1 28 28 VAL H H 1 8.533 0.02 . 1 . . . . . 30 VAL HN . 52227 1 86 . 1 . 1 28 28 VAL HA H 1 4.024 0.02 . 1 . . . . . 30 VAL HA . 52227 1 87 . 1 . 1 28 28 VAL HB H 1 1.757 0.02 . 1 . . . . . 30 VAL HB . 52227 1 88 . 1 . 1 28 28 VAL HG11 H 1 0.748 0.02 . 2 . . . . . 30 VAL HG11 . 52227 1 89 . 1 . 1 28 28 VAL HG12 H 1 0.748 0.02 . 2 . . . . . 30 VAL HG11 . 52227 1 90 . 1 . 1 28 28 VAL HG13 H 1 0.748 0.02 . 2 . . . . . 30 VAL HG11 . 52227 1 91 . 1 . 1 28 28 VAL HG21 H 1 0.748 0.02 . 2 . . . . . 30 VAL HG21 . 52227 1 92 . 1 . 1 28 28 VAL HG22 H 1 0.748 0.02 . 2 . . . . . 30 VAL HG21 . 52227 1 93 . 1 . 1 28 28 VAL HG23 H 1 0.748 0.02 . 2 . . . . . 30 VAL HG21 . 52227 1 94 . 1 . 1 28 28 VAL CA C 13 61.867 0.3 . 1 . . . . . 30 VAL CA . 52227 1 95 . 1 . 1 28 28 VAL CB C 13 33.685 0.3 . 1 . . . . . 30 VAL CB . 52227 1 96 . 1 . 1 28 28 VAL CG1 C 13 20.712 0.3 . 1 . . . . . 30 VAL CG1 . 52227 1 97 . 1 . 1 28 28 VAL CG2 C 13 20.712 0.3 . 1 . . . . . 30 VAL CG2 . 52227 1 98 . 1 . 1 28 28 VAL N N 15 124.458 0.2 . 1 . . . . . 30 VAL N . 52227 1 99 . 1 . 1 29 29 ASP H H 1 9.249 0.02 . 1 . . . . . 31 ASP HN . 52227 1 100 . 1 . 1 29 29 ASP HA H 1 4.182 0.02 . 1 . . . . . 31 ASP HA . 52227 1 101 . 1 . 1 29 29 ASP HB2 H 1 2.823 0.02 . 2 . . . . . 31 ASP HB1 . 52227 1 102 . 1 . 1 29 29 ASP HB3 H 1 2.557 0.02 . 2 . . . . . 31 ASP HB2 . 52227 1 103 . 1 . 1 29 29 ASP CA C 13 55.150 0.3 . 1 . . . . . 31 ASP CA . 52227 1 104 . 1 . 1 29 29 ASP CB C 13 39.314 0.3 . 1 . . . . . 31 ASP CB . 52227 1 105 . 1 . 1 29 29 ASP N N 15 127.586 0.2 . 1 . . . . . 31 ASP N . 52227 1 106 . 1 . 1 30 30 GLY H H 1 8.244 0.02 . 1 . . . . . 32 GLY HN . 52227 1 107 . 1 . 1 30 30 GLY HA2 H 1 3.462 0.02 . 2 . . . . . 32 GLY HA1 . 52227 1 108 . 1 . 1 30 30 GLY HA3 H 1 4.025 0.02 . 2 . . . . . 32 GLY HA2 . 52227 1 109 . 1 . 1 30 30 GLY CA C 13 45.321 0.3 . 1 . . . . . 32 GLY CA . 52227 1 110 . 1 . 1 30 30 GLY N N 15 102.649 0.2 . 1 . . . . . 32 GLY N . 52227 1 111 . 1 . 1 31 31 VAL H H 1 7.603 0.02 . 1 . . . . . 33 VAL HN . 52227 1 112 . 1 . 1 31 31 VAL HA H 1 4.141 0.02 . 1 . . . . . 33 VAL HA . 52227 1 113 . 1 . 1 31 31 VAL HB H 1 1.901 0.02 . 1 . . . . . 33 VAL HB . 52227 1 114 . 1 . 1 31 31 VAL HG11 H 1 0.759 0.02 . 2 . . . . . 33 VAL HG11 . 52227 1 115 . 1 . 1 31 31 VAL HG12 H 1 0.759 0.02 . 2 . . . . . 33 VAL HG11 . 52227 1 116 . 1 . 1 31 31 VAL HG13 H 1 0.759 0.02 . 2 . . . . . 33 VAL HG11 . 52227 1 117 . 1 . 1 31 31 VAL HG21 H 1 0.759 0.02 . 2 . . . . . 33 VAL HG21 . 52227 1 118 . 1 . 1 31 31 VAL HG22 H 1 0.759 0.02 . 2 . . . . . 33 VAL HG21 . 52227 1 119 . 1 . 1 31 31 VAL HG23 H 1 0.759 0.02 . 2 . . . . . 33 VAL HG21 . 52227 1 120 . 1 . 1 31 31 VAL CA C 13 61.168 0.3 . 1 . . . . . 33 VAL CA . 52227 1 121 . 1 . 1 31 31 VAL CB C 13 34.228 0.3 . 1 . . . . . 33 VAL CB . 52227 1 122 . 1 . 1 31 31 VAL CG1 C 13 20.728 0.3 . 1 . . . . . 33 VAL CG1 . 52227 1 123 . 1 . 1 31 31 VAL CG2 C 13 20.728 0.3 . 1 . . . . . 33 VAL CG2 . 52227 1 124 . 1 . 1 31 31 VAL N N 15 120.526 0.2 . 1 . . . . . 33 VAL N . 52227 1 125 . 1 . 1 32 32 GLN H H 1 8.641 0.02 . 1 . . . . . 34 GLN HN . 52227 1 126 . 1 . 1 32 32 GLN HA H 1 3.967 0.02 . 1 . . . . . 34 GLN HA . 52227 1 127 . 1 . 1 32 32 GLN HB2 H 1 1.542 0.02 . 2 . . . . . 34 GLN HB1 . 52227 1 128 . 1 . 1 32 32 GLN HB3 H 1 1.809 0.02 . 2 . . . . . 34 GLN HB2 . 52227 1 129 . 1 . 1 32 32 GLN HG2 H 1 1.847 0.02 . 2 . . . . . 34 GLN HG1 . 52227 1 130 . 1 . 1 32 32 GLN HG3 H 1 1.640 0.02 . 2 . . . . . 34 GLN HG2 . 52227 1 131 . 1 . 1 32 32 GLN HE21 H 1 7.111 0.02 . 2 . . . . . 34 GLN HE21 . 52227 1 132 . 1 . 1 32 32 GLN HE22 H 1 6.736 0.02 . 2 . . . . . 34 GLN HE22 . 52227 1 133 . 1 . 1 32 32 GLN CA C 13 56.094 0.3 . 1 . . . . . 34 GLN CA . 52227 1 134 . 1 . 1 32 32 GLN CB C 13 29.528 0.3 . 1 . . . . . 34 GLN CB . 52227 1 135 . 1 . 1 32 32 GLN CG C 13 34.983 0.3 . 1 . . . . . 34 GLN CG . 52227 1 136 . 1 . 1 32 32 GLN N N 15 126.854 0.2 . 1 . . . . . 34 GLN N . 52227 1 137 . 1 . 1 32 32 GLN NE2 N 15 111.775 0.2 . 1 . . . . . 34 GLN NE2 . 52227 1 138 . 1 . 1 33 33 ARG H H 1 8.768 0.02 . 1 . . . . . 35 ARG HN . 52227 1 139 . 1 . 1 33 33 ARG HA H 1 4.478 0.02 . 1 . . . . . 35 ARG HA . 52227 1 140 . 1 . 1 33 33 ARG HB2 H 1 1.611 0.02 . 2 . . . . . 35 ARG HB1 . 52227 1 141 . 1 . 1 33 33 ARG HB3 H 1 1.546 0.02 . 2 . . . . . 35 ARG HB2 . 52227 1 142 . 1 . 1 33 33 ARG HG2 H 1 1.442 0.02 . 2 . . . . . 35 ARG HG1 . 52227 1 143 . 1 . 1 33 33 ARG HG3 H 1 1.377 0.02 . 2 . . . . . 35 ARG HG2 . 52227 1 144 . 1 . 1 33 33 ARG HD2 H 1 2.991 0.02 . 2 . . . . . 35 ARG HD1 . 52227 1 145 . 1 . 1 33 33 ARG HD3 H 1 2.917 0.02 . 2 . . . . . 35 ARG HD2 . 52227 1 146 . 1 . 1 33 33 ARG HE H 1 6.960 0.02 . 1 . . . . . 35 ARG HE . 52227 1 147 . 1 . 1 33 33 ARG CA C 13 54.915 0.3 . 1 . . . . . 35 ARG CA . 52227 1 148 . 1 . 1 33 33 ARG CB C 13 31.715 0.3 . 1 . . . . . 35 ARG CB . 52227 1 149 . 1 . 1 33 33 ARG CG C 13 26.675 0.3 . 1 . . . . . 35 ARG CG . 52227 1 150 . 1 . 1 33 33 ARG CD C 13 43.267 0.3 . 1 . . . . . 35 ARG CD . 52227 1 151 . 1 . 1 33 33 ARG N N 15 127.263 0.2 . 1 . . . . . 35 ARG N . 52227 1 152 . 1 . 1 33 33 ARG NE N 15 84.429 0.2 . 1 . . . . . 35 ARG NE . 52227 1 153 . 1 . 1 34 34 CYS H H 1 8.865 0.02 . 1 . . . . . 36 CYS HN . 52227 1 154 . 1 . 1 34 34 CYS HA H 1 5.246 0.02 . 1 . . . . . 36 CYS HA . 52227 1 155 . 1 . 1 34 34 CYS HB2 H 1 2.805 0.02 . 2 . . . . . 36 CYS HB1 . 52227 1 156 . 1 . 1 34 34 CYS HB3 H 1 2.840 0.02 . 2 . . . . . 36 CYS HB2 . 52227 1 157 . 1 . 1 34 34 CYS CA C 13 55.153 0.3 . 1 . . . . . 36 CYS CA . 52227 1 158 . 1 . 1 34 34 CYS CB C 13 46.025 0.3 . 1 . . . . . 36 CYS CB . 52227 1 159 . 1 . 1 34 34 CYS N N 15 123.739 0.2 . 1 . . . . . 36 CYS N . 52227 1 160 . 1 . 1 35 35 THR H H 1 8.451 0.02 . 1 . . . . . 37 THR HN . 52227 1 161 . 1 . 1 35 35 THR HA H 1 4.259 0.02 . 1 . . . . . 37 THR HA . 52227 1 162 . 1 . 1 35 35 THR HB H 1 4.035 0.02 . 1 . . . . . 37 THR HB . 52227 1 163 . 1 . 1 35 35 THR HG21 H 1 1.057 0.02 . 1 . . . . . 37 THR HG21 . 52227 1 164 . 1 . 1 35 35 THR HG22 H 1 1.057 0.02 . 1 . . . . . 37 THR HG21 . 52227 1 165 . 1 . 1 35 35 THR HG23 H 1 1.057 0.02 . 1 . . . . . 37 THR HG21 . 52227 1 166 . 1 . 1 35 35 THR CA C 13 61.480 0.3 . 1 . . . . . 37 THR CA . 52227 1 167 . 1 . 1 35 35 THR CB C 13 70.304 0.3 . 1 . . . . . 37 THR CB . 52227 1 168 . 1 . 1 35 35 THR CG2 C 13 21.426 0.3 . 1 . . . . . 37 THR CG2 . 52227 1 169 . 1 . 1 35 35 THR N N 15 116.051 0.2 . 1 . . . . . 37 THR N . 52227 1 170 . 1 . 1 36 36 GLN H H 1 8.433 0.02 . 1 . . . . . 38 GLN HN . 52227 1 171 . 1 . 1 36 36 GLN HA H 1 4.304 0.02 . 1 . . . . . 38 GLN HA . 52227 1 172 . 1 . 1 36 36 GLN HB2 H 1 1.930 0.02 . 2 . . . . . 38 GLN HB1 . 52227 1 173 . 1 . 1 36 36 GLN HB3 H 1 1.815 0.02 . 2 . . . . . 38 GLN HB2 . 52227 1 174 . 1 . 1 36 36 GLN HG2 H 1 2.195 0.02 . 2 . . . . . 38 GLN HG1 . 52227 1 175 . 1 . 1 36 36 GLN HG3 H 1 2.195 0.02 . 2 . . . . . 38 GLN HG2 . 52227 1 176 . 1 . 1 36 36 GLN CA C 13 55.602 0.3 . 1 . . . . . 38 GLN CA . 52227 1 177 . 1 . 1 36 36 GLN CB C 13 29.618 0.3 . 1 . . . . . 38 GLN CB . 52227 1 178 . 1 . 1 36 36 GLN CG C 13 33.733 0.3 . 1 . . . . . 38 GLN CG . 52227 1 179 . 1 . 1 36 36 GLN N N 15 122.529 0.2 . 1 . . . . . 38 GLN N . 52227 1 180 . 1 . 1 37 37 GLN H H 1 8.401 0.02 . 1 . . . . . 39 GLN HN . 52227 1 181 . 1 . 1 37 37 GLN HA H 1 4.191 0.02 . 1 . . . . . 39 GLN HA . 52227 1 182 . 1 . 1 37 37 GLN HB2 H 1 1.930 0.02 . 2 . . . . . 39 GLN HB1 . 52227 1 183 . 1 . 1 37 37 GLN HB3 H 1 1.820 0.02 . 2 . . . . . 39 GLN HB2 . 52227 1 184 . 1 . 1 37 37 GLN HG2 H 1 2.204 0.02 . 2 . . . . . 39 GLN HG1 . 52227 1 185 . 1 . 1 37 37 GLN HG3 H 1 2.204 0.02 . 2 . . . . . 39 GLN HG2 . 52227 1 186 . 1 . 1 37 37 GLN HE21 H 1 7.376 0.02 . 2 . . . . . 39 GLN HE21 . 52227 1 187 . 1 . 1 37 37 GLN HE22 H 1 6.720 0.02 . 2 . . . . . 39 GLN HE22 . 52227 1 188 . 1 . 1 37 37 GLN CA C 13 55.679 0.3 . 1 . . . . . 39 GLN CA . 52227 1 189 . 1 . 1 37 37 GLN CB C 13 29.579 0.3 . 1 . . . . . 39 GLN CB . 52227 1 190 . 1 . 1 37 37 GLN CG C 13 33.646 0.3 . 1 . . . . . 39 GLN CG . 52227 1 191 . 1 . 1 37 37 GLN N N 15 122.423 0.2 . 1 . . . . . 39 GLN N . 52227 1 192 . 1 . 1 37 37 GLN NE2 N 15 112.200 0.2 . 1 . . . . . 39 GLN NE2 . 52227 1 193 . 1 . 1 38 38 LYS H H 1 8.398 0.02 . 1 . . . . . 40 LYS HN . 52227 1 194 . 1 . 1 38 38 LYS HA H 1 4.198 0.02 . 1 . . . . . 40 LYS HA . 52227 1 195 . 1 . 1 38 38 LYS HB2 H 1 1.609 0.02 . 2 . . . . . 40 LYS HB1 . 52227 1 196 . 1 . 1 38 38 LYS HB3 H 1 1.691 0.02 . 2 . . . . . 40 LYS HB2 . 52227 1 197 . 1 . 1 38 38 LYS HG2 H 1 1.291 0.02 . 2 . . . . . 40 LYS HG1 . 52227 1 198 . 1 . 1 38 38 LYS HG3 H 1 1.291 0.02 . 2 . . . . . 40 LYS HG2 . 52227 1 199 . 1 . 1 38 38 LYS HD2 H 1 1.534 0.02 . 2 . . . . . 40 LYS HD1 . 52227 1 200 . 1 . 1 38 38 LYS HD3 H 1 1.534 0.02 . 2 . . . . . 40 LYS HD2 . 52227 1 201 . 1 . 1 38 38 LYS HE2 H 1 2.830 0.02 . 2 . . . . . 40 LYS HE1 . 52227 1 202 . 1 . 1 38 38 LYS HE3 H 1 2.830 0.02 . 2 . . . . . 40 LYS HE2 . 52227 1 203 . 1 . 1 38 38 LYS CA C 13 56.330 0.3 . 1 . . . . . 40 LYS CA . 52227 1 204 . 1 . 1 38 38 LYS CB C 13 33.071 0.3 . 1 . . . . . 40 LYS CB . 52227 1 205 . 1 . 1 38 38 LYS CG C 13 24.663 0.3 . 1 . . . . . 40 LYS CG . 52227 1 206 . 1 . 1 38 38 LYS CD C 13 29.023 0.3 . 1 . . . . . 40 LYS CD . 52227 1 207 . 1 . 1 38 38 LYS CE C 13 42.153 0.3 . 1 . . . . . 40 LYS CE . 52227 1 208 . 1 . 1 38 38 LYS N N 15 123.201 0.2 . 1 . . . . . 40 LYS N . 52227 1 209 . 1 . 1 39 39 SER H H 1 8.294 0.02 . 1 . . . . . 41 SER HN . 52227 1 210 . 1 . 1 39 39 SER HA H 1 4.286 0.02 . 1 . . . . . 41 SER HA . 52227 1 211 . 1 . 1 39 39 SER HB2 H 1 3.719 0.02 . 2 . . . . . 41 SER HB1 . 52227 1 212 . 1 . 1 39 39 SER HB3 H 1 3.719 0.02 . 2 . . . . . 41 SER HB2 . 52227 1 213 . 1 . 1 39 39 SER CA C 13 58.310 0.3 . 1 . . . . . 41 SER CA . 52227 1 214 . 1 . 1 39 39 SER CB C 13 63.820 0.3 . 1 . . . . . 41 SER CB . 52227 1 215 . 1 . 1 39 39 SER N N 15 117.235 0.2 . 1 . . . . . 41 SER N . 52227 1 216 . 1 . 1 40 40 GLN H H 1 8.396 0.02 . 1 . . . . . 42 GLN HN . 52227 1 217 . 1 . 1 40 40 GLN HA H 1 4.210 0.02 . 1 . . . . . 42 GLN HA . 52227 1 218 . 1 . 1 40 40 GLN HB2 H 1 1.992 0.02 . 2 . . . . . 42 GLN HB1 . 52227 1 219 . 1 . 1 40 40 GLN HB3 H 1 1.818 0.02 . 2 . . . . . 42 GLN HB2 . 52227 1 220 . 1 . 1 40 40 GLN HG2 H 1 2.204 0.02 . 2 . . . . . 42 GLN HG1 . 52227 1 221 . 1 . 1 40 40 GLN HG3 H 1 2.204 0.02 . 2 . . . . . 42 GLN HG2 . 52227 1 222 . 1 . 1 40 40 GLN HE21 H 1 7.400 0.02 . 2 . . . . . 42 GLN HE21 . 52227 1 223 . 1 . 1 40 40 GLN HE22 H 1 6.730 0.02 . 2 . . . . . 42 GLN HE22 . 52227 1 224 . 1 . 1 40 40 GLN CA C 13 55.872 0.3 . 1 . . . . . 42 GLN CA . 52227 1 225 . 1 . 1 40 40 GLN CB C 13 29.640 0.3 . 1 . . . . . 42 GLN CB . 52227 1 226 . 1 . 1 40 40 GLN CG C 13 33.646 0.3 . 1 . . . . . 42 GLN CG . 52227 1 227 . 1 . 1 40 40 GLN N N 15 122.191 0.2 . 1 . . . . . 42 GLN N . 52227 1 228 . 1 . 1 40 40 GLN NE2 N 15 112.300 0.2 . 1 . . . . . 42 GLN NE2 . 52227 1 229 . 1 . 1 41 41 GLY H H 1 8.282 0.02 . 1 . . . . . 43 GLY HN . 52227 1 230 . 1 . 1 41 41 GLY HA2 H 1 3.787 0.02 . 2 . . . . . 43 GLY HA1 . 52227 1 231 . 1 . 1 41 41 GLY HA3 H 1 3.787 0.02 . 2 . . . . . 43 GLY HA2 . 52227 1 232 . 1 . 1 41 41 GLY CA C 13 45.162 0.3 . 1 . . . . . 43 GLY CA . 52227 1 233 . 1 . 1 41 41 GLY N N 15 109.452 0.2 . 1 . . . . . 43 GLY N . 52227 1 234 . 1 . 1 42 42 ASN H H 1 8.241 0.02 . 1 . . . . . 44 ASN HN . 52227 1 235 . 1 . 1 42 42 ASN HA H 1 4.579 0.02 . 1 . . . . . 44 ASN HA . 52227 1 236 . 1 . 1 42 42 ASN HB2 H 1 2.581 0.02 . 2 . . . . . 44 ASN HB1 . 52227 1 237 . 1 . 1 42 42 ASN HB3 H 1 2.673 0.02 . 2 . . . . . 44 ASN HB2 . 52227 1 238 . 1 . 1 42 42 ASN HD21 H 1 7.430 0.02 . 2 . . . . . 44 ASN HD21 . 52227 1 239 . 1 . 1 42 42 ASN HD22 H 1 6.782 0.02 . 2 . . . . . 44 ASN HD22 . 52227 1 240 . 1 . 1 42 42 ASN CA C 13 53.127 0.3 . 1 . . . . . 44 ASN CA . 52227 1 241 . 1 . 1 42 42 ASN CB C 13 38.785 0.3 . 1 . . . . . 44 ASN CB . 52227 1 242 . 1 . 1 42 42 ASN N N 15 118.732 0.2 . 1 . . . . . 44 ASN N . 52227 1 243 . 1 . 1 42 42 ASN ND2 N 15 112.700 0.2 . 1 . . . . . 44 ASN ND2 . 52227 1 244 . 1 . 1 43 43 VAL H H 1 7.980 0.02 . 1 . . . . . 45 VAL HN . 52227 1 245 . 1 . 1 43 43 VAL HA H 1 3.948 0.02 . 1 . . . . . 45 VAL HA . 52227 1 246 . 1 . 1 43 43 VAL HB H 1 1.931 0.02 . 1 . . . . . 45 VAL HB . 52227 1 247 . 1 . 1 43 43 VAL HG11 H 1 0.765 0.02 . 2 . . . . . 45 VAL HG11 . 52227 1 248 . 1 . 1 43 43 VAL HG12 H 1 0.765 0.02 . 2 . . . . . 45 VAL HG11 . 52227 1 249 . 1 . 1 43 43 VAL HG13 H 1 0.765 0.02 . 2 . . . . . 45 VAL HG11 . 52227 1 250 . 1 . 1 43 43 VAL HG21 H 1 0.762 0.02 . 2 . . . . . 45 VAL HG21 . 52227 1 251 . 1 . 1 43 43 VAL HG22 H 1 0.762 0.02 . 2 . . . . . 45 VAL HG21 . 52227 1 252 . 1 . 1 43 43 VAL HG23 H 1 0.762 0.02 . 2 . . . . . 45 VAL HG21 . 52227 1 253 . 1 . 1 43 43 VAL CA C 13 62.221 0.3 . 1 . . . . . 45 VAL CA . 52227 1 254 . 1 . 1 43 43 VAL CB C 13 32.636 0.3 . 1 . . . . . 45 VAL CB . 52227 1 255 . 1 . 1 43 43 VAL CG1 C 13 20.375 0.3 . 1 . . . . . 45 VAL CG1 . 52227 1 256 . 1 . 1 43 43 VAL CG2 C 13 20.900 0.3 . 1 . . . . . 45 VAL CG2 . 52227 1 257 . 1 . 1 43 43 VAL N N 15 120.418 0.2 . 1 . . . . . 45 VAL N . 52227 1 258 . 1 . 1 44 44 ALA H H 1 8.260 0.02 . 1 . . . . . 46 ALA HN . 52227 1 259 . 1 . 1 44 44 ALA HA H 1 4.154 0.02 . 1 . . . . . 46 ALA HA . 52227 1 260 . 1 . 1 44 44 ALA HB1 H 1 1.226 0.02 . 1 . . . . . 46 ALA HB1 . 52227 1 261 . 1 . 1 44 44 ALA HB2 H 1 1.226 0.02 . 1 . . . . . 46 ALA HB1 . 52227 1 262 . 1 . 1 44 44 ALA HB3 H 1 1.226 0.02 . 1 . . . . . 46 ALA HB1 . 52227 1 263 . 1 . 1 44 44 ALA CA C 13 52.455 0.3 . 1 . . . . . 46 ALA CA . 52227 1 264 . 1 . 1 44 44 ALA CB C 13 18.993 0.3 . 1 . . . . . 46 ALA CB . 52227 1 265 . 1 . 1 44 44 ALA N N 15 127.291 0.2 . 1 . . . . . 46 ALA N . 52227 1 266 . 1 . 1 45 45 MET H H 1 8.188 0.02 . 1 . . . . . 47 MET HN . 52227 1 267 . 1 . 1 45 45 MET HA H 1 4.316 0.02 . 1 . . . . . 47 MET HA . 52227 1 268 . 1 . 1 45 45 MET HB2 H 1 1.940 0.02 . 2 . . . . . 47 MET HB1 . 52227 1 269 . 1 . 1 45 45 MET HB3 H 1 1.850 0.02 . 2 . . . . . 47 MET HB2 . 52227 1 270 . 1 . 1 45 45 MET HG2 H 1 2.446 0.02 . 2 . . . . . 47 MET HG1 . 52227 1 271 . 1 . 1 45 45 MET HG3 H 1 2.372 0.02 . 2 . . . . . 47 MET HG2 . 52227 1 272 . 1 . 1 45 45 MET HE1 H 1 1.900 0.02 . 1 . . . . . 47 MET HE1 . 52227 1 273 . 1 . 1 45 45 MET HE2 H 1 1.900 0.02 . 1 . . . . . 47 MET HE1 . 52227 1 274 . 1 . 1 45 45 MET HE3 H 1 1.900 0.02 . 1 . . . . . 47 MET HE1 . 52227 1 275 . 1 . 1 45 45 MET CA C 13 55.430 0.3 . 1 . . . . . 47 MET CA . 52227 1 276 . 1 . 1 45 45 MET CB C 13 32.937 0.3 . 1 . . . . . 47 MET CB . 52227 1 277 . 1 . 1 45 45 MET CG C 13 31.824 0.3 . 1 . . . . . 47 MET CG . 52227 1 278 . 1 . 1 45 45 MET CE C 13 16.940 0.3 . 1 . . . . . 47 MET CE . 52227 1 279 . 1 . 1 45 45 MET N N 15 119.704 0.2 . 1 . . . . . 47 MET N . 52227 1 280 . 1 . 1 46 46 SER H H 1 8.212 0.02 . 1 . . . . . 48 SER HN . 52227 1 281 . 1 . 1 46 46 SER HA H 1 4.470 0.02 . 1 . . . . . 48 SER HA . 52227 1 282 . 1 . 1 46 46 SER HB2 H 1 3.720 0.02 . 2 . . . . . 48 SER HB1 . 52227 1 283 . 1 . 1 46 46 SER HB3 H 1 3.720 0.02 . 2 . . . . . 48 SER HB2 . 52227 1 284 . 1 . 1 46 46 SER CA C 13 58.300 0.3 . 1 . . . . . 48 SER CA . 52227 1 285 . 1 . 1 46 46 SER CB C 13 63.950 0.3 . 1 . . . . . 48 SER CB . 52227 1 286 . 1 . 1 46 46 SER N N 15 116.780 0.2 . 1 . . . . . 48 SER N . 52227 1 287 . 1 . 1 47 47 SER H H 1 8.282 0.02 . 1 . . . . . 49 SER HN . 52227 1 288 . 1 . 1 47 47 SER HA H 1 4.297 0.02 . 1 . . . . . 49 SER HA . 52227 1 289 . 1 . 1 47 47 SER HB2 H 1 3.760 0.02 . 2 . . . . . 49 SER HB1 . 52227 1 290 . 1 . 1 47 47 SER HB3 H 1 3.720 0.02 . 2 . . . . . 49 SER HB2 . 52227 1 291 . 1 . 1 47 47 SER CA C 13 58.400 0.3 . 1 . . . . . 49 SER CA . 52227 1 292 . 1 . 1 47 47 SER CB C 13 63.835 0.3 . 1 . . . . . 49 SER CB . 52227 1 293 . 1 . 1 47 47 SER N N 15 117.510 0.2 . 1 . . . . . 49 SER N . 52227 1 294 . 1 . 1 48 48 SER H H 1 8.183 0.02 . 1 . . . . . 50 SER HN . 52227 1 295 . 1 . 1 48 48 SER HA H 1 4.282 0.02 . 1 . . . . . 50 SER HA . 52227 1 296 . 1 . 1 48 48 SER HB2 H 1 3.727 0.02 . 2 . . . . . 50 SER HB1 . 52227 1 297 . 1 . 1 48 48 SER HB3 H 1 3.727 0.02 . 2 . . . . . 50 SER HB2 . 52227 1 298 . 1 . 1 48 48 SER CA C 13 58.492 0.3 . 1 . . . . . 50 SER CA . 52227 1 299 . 1 . 1 48 48 SER CB C 13 63.679 0.3 . 1 . . . . . 50 SER CB . 52227 1 300 . 1 . 1 48 48 SER N N 15 117.284 0.2 . 1 . . . . . 50 SER N . 52227 1 301 . 1 . 1 49 49 GLN H H 1 8.143 0.02 . 1 . . . . . 51 GLN HN . 52227 1 302 . 1 . 1 49 49 GLN HA H 1 4.170 0.02 . 1 . . . . . 51 GLN HA . 52227 1 303 . 1 . 1 49 49 GLN HB2 H 1 1.970 0.02 . 2 . . . . . 51 GLN HB1 . 52227 1 304 . 1 . 1 49 49 GLN HB3 H 1 1.818 0.02 . 2 . . . . . 51 GLN HB2 . 52227 1 305 . 1 . 1 49 49 GLN HG2 H 1 2.190 0.02 . 2 . . . . . 51 GLN HG1 . 52227 1 306 . 1 . 1 49 49 GLN HG3 H 1 2.220 0.02 . 2 . . . . . 51 GLN HG2 . 52227 1 307 . 1 . 1 49 49 GLN HE21 H 1 7.370 0.02 . 2 . . . . . 51 GLN HE21 . 52227 1 308 . 1 . 1 49 49 GLN HE22 H 1 6.710 0.02 . 2 . . . . . 51 GLN HE22 . 52227 1 309 . 1 . 1 49 49 GLN CA C 13 55.860 0.3 . 1 . . . . . 51 GLN CA . 52227 1 310 . 1 . 1 49 49 GLN CB C 13 29.278 0.3 . 1 . . . . . 51 GLN CB . 52227 1 311 . 1 . 1 49 49 GLN CG C 13 33.739 0.3 . 1 . . . . . 51 GLN CG . 52227 1 312 . 1 . 1 49 49 GLN N N 15 121.884 0.2 . 1 . . . . . 51 GLN N . 52227 1 313 . 1 . 1 49 49 GLN NE2 N 15 112.400 0.2 . 1 . . . . . 51 GLN NE2 . 52227 1 314 . 1 . 1 50 50 ALA H H 1 8.126 0.02 . 1 . . . . . 52 ALA HN . 52227 1 315 . 1 . 1 50 50 ALA HA H 1 4.117 0.02 . 1 . . . . . 52 ALA HA . 52227 1 316 . 1 . 1 50 50 ALA HB1 H 1 1.208 0.02 . 1 . . . . . 52 ALA HB1 . 52227 1 317 . 1 . 1 50 50 ALA HB2 H 1 1.208 0.02 . 1 . . . . . 52 ALA HB1 . 52227 1 318 . 1 . 1 50 50 ALA HB3 H 1 1.208 0.02 . 1 . . . . . 52 ALA HB1 . 52227 1 319 . 1 . 1 50 50 ALA CA C 13 52.808 0.3 . 1 . . . . . 52 ALA CA . 52227 1 320 . 1 . 1 50 50 ALA CB C 13 19.021 0.3 . 1 . . . . . 52 ALA CB . 52227 1 321 . 1 . 1 50 50 ALA N N 15 124.698 0.2 . 1 . . . . . 52 ALA N . 52227 1 322 . 1 . 1 51 51 GLY H H 1 8.139 0.02 . 1 . . . . . 53 GLY HN . 52227 1 323 . 1 . 1 51 51 GLY HA2 H 1 3.719 0.02 . 2 . . . . . 53 GLY HA1 . 52227 1 324 . 1 . 1 51 51 GLY HA3 H 1 3.719 0.02 . 2 . . . . . 53 GLY HA2 . 52227 1 325 . 1 . 1 51 51 GLY CA C 13 45.073 0.3 . 1 . . . . . 53 GLY CA . 52227 1 326 . 1 . 1 51 51 GLY N N 15 107.709 0.2 . 1 . . . . . 53 GLY N . 52227 1 327 . 1 . 1 52 52 TYR H H 1 7.919 0.02 . 1 . . . . . 54 TYR HN . 52227 1 328 . 1 . 1 52 52 TYR HA H 1 4.359 0.02 . 1 . . . . . 54 TYR HA . 52227 1 329 . 1 . 1 52 52 TYR HB2 H 1 2.850 0.02 . 2 . . . . . 54 TYR HB1 . 52227 1 330 . 1 . 1 52 52 TYR HB3 H 1 2.800 0.02 . 2 . . . . . 54 TYR HB2 . 52227 1 331 . 1 . 1 52 52 TYR HD1 H 1 6.918 0.02 . 3 . . . . . 54 TYR HD1 . 52227 1 332 . 1 . 1 52 52 TYR CA C 13 58.190 0.3 . 1 . . . . . 54 TYR CA . 52227 1 333 . 1 . 1 52 52 TYR CB C 13 38.644 0.3 . 1 . . . . . 54 TYR CB . 52227 1 334 . 1 . 1 52 52 TYR CD1 C 13 133.150 0.3 . 3 . . . . . 54 TYR CD1 . 52227 1 335 . 1 . 1 52 52 TYR N N 15 119.927 0.2 . 1 . . . . . 54 TYR N . 52227 1 336 . 1 . 1 53 53 GLY H H 1 8.242 0.02 . 1 . . . . . 55 GLY HN . 52227 1 337 . 1 . 1 53 53 GLY HA2 H 1 3.720 0.02 . 2 . . . . . 55 GLY HA1 . 52227 1 338 . 1 . 1 53 53 GLY HA3 H 1 3.690 0.02 . 2 . . . . . 55 GLY HA2 . 52227 1 339 . 1 . 1 53 53 GLY CA C 13 45.260 0.3 . 1 . . . . . 55 GLY CA . 52227 1 340 . 1 . 1 53 53 GLY N N 15 110.798 0.2 . 1 . . . . . 55 GLY N . 52227 1 341 . 1 . 1 54 54 GLN H H 1 8.080 0.02 . 1 . . . . . 56 GLN HN . 52227 1 342 . 1 . 1 54 54 GLN HA H 1 4.170 0.02 . 1 . . . . . 56 GLN HA . 52227 1 343 . 1 . 1 54 54 GLN HB2 H 1 1.980 0.02 . 2 . . . . . 56 GLN HB1 . 52227 1 344 . 1 . 1 54 54 GLN HB3 H 1 1.800 0.02 . 2 . . . . . 56 GLN HB2 . 52227 1 345 . 1 . 1 54 54 GLN HG2 H 1 2.160 0.02 . 2 . . . . . 56 GLN HG1 . 52227 1 346 . 1 . 1 54 54 GLN HG3 H 1 2.160 0.02 . 2 . . . . . 56 GLN HG2 . 52227 1 347 . 1 . 1 54 54 GLN HE21 H 1 6.730 0.02 . 2 . . . . . 56 GLN HE21 . 52227 1 348 . 1 . 1 54 54 GLN HE22 H 1 7.370 0.02 . 2 . . . . . 56 GLN HE22 . 52227 1 349 . 1 . 1 54 54 GLN CA C 13 55.850 0.3 . 1 . . . . . 56 GLN CA . 52227 1 350 . 1 . 1 54 54 GLN CB C 13 29.300 0.3 . 1 . . . . . 56 GLN CB . 52227 1 351 . 1 . 1 54 54 GLN CG C 13 33.680 0.3 . 1 . . . . . 56 GLN CG . 52227 1 352 . 1 . 1 54 54 GLN N N 15 119.530 0.2 . 1 . . . . . 56 GLN N . 52227 1 353 . 1 . 1 54 54 GLN NE2 N 15 112.200 0.2 . 1 . . . . . 56 GLN NE2 . 52227 1 354 . 1 . 1 55 55 GLY H H 1 8.385 0.02 . 1 . . . . . 57 GLY HN . 52227 1 355 . 1 . 1 55 55 GLY HA2 H 1 3.770 0.02 . 2 . . . . . 57 GLY HA1 . 52227 1 356 . 1 . 1 55 55 GLY HA3 H 1 3.770 0.02 . 2 . . . . . 57 GLY HA2 . 52227 1 357 . 1 . 1 55 55 GLY CA C 13 45.300 0.3 . 1 . . . . . 57 GLY CA . 52227 1 358 . 1 . 1 55 55 GLY N N 15 109.950 0.2 . 1 . . . . . 57 GLY N . 52227 1 359 . 1 . 1 56 56 GLN H H 1 8.090 0.02 . 1 . . . . . 58 GLN HN . 52227 1 360 . 1 . 1 56 56 GLN HA H 1 4.180 0.02 . 1 . . . . . 58 GLN HA . 52227 1 361 . 1 . 1 56 56 GLN HB2 H 1 1.917 0.02 . 2 . . . . . 58 GLN HB1 . 52227 1 362 . 1 . 1 56 56 GLN HB3 H 1 1.820 0.02 . 2 . . . . . 58 GLN HB2 . 52227 1 363 . 1 . 1 56 56 GLN HG2 H 1 2.120 0.02 . 2 . . . . . 58 GLN HG1 . 52227 1 364 . 1 . 1 56 56 GLN HG3 H 1 2.120 0.02 . 2 . . . . . 58 GLN HG2 . 52227 1 365 . 1 . 1 56 56 GLN HE21 H 1 7.330 0.02 . 2 . . . . . 58 GLN HE21 . 52227 1 366 . 1 . 1 56 56 GLN HE22 H 1 6.700 0.02 . 2 . . . . . 58 GLN HE22 . 52227 1 367 . 1 . 1 56 56 GLN CA C 13 55.750 0.3 . 1 . . . . . 58 GLN CA . 52227 1 368 . 1 . 1 56 56 GLN CB C 13 29.361 0.3 . 1 . . . . . 58 GLN CB . 52227 1 369 . 1 . 1 56 56 GLN CG C 13 33.668 0.3 . 1 . . . . . 58 GLN CG . 52227 1 370 . 1 . 1 56 56 GLN N N 15 119.530 0.2 . 1 . . . . . 58 GLN N . 52227 1 371 . 1 . 1 56 56 GLN NE2 N 15 112.200 0.2 . 1 . . . . . 58 GLN NE2 . 52227 1 372 . 1 . 1 57 57 SER H H 1 8.210 0.02 . 1 . . . . . 59 SER HN . 52227 1 373 . 1 . 1 57 57 SER HA H 1 4.250 0.02 . 1 . . . . . 59 SER HA . 52227 1 374 . 1 . 1 57 57 SER HB2 H 1 3.725 0.02 . 2 . . . . . 59 SER HB1 . 52227 1 375 . 1 . 1 57 57 SER HB3 H 1 3.635 0.02 . 2 . . . . . 59 SER HB2 . 52227 1 376 . 1 . 1 57 57 SER CA C 13 58.200 0.3 . 1 . . . . . 59 SER CA . 52227 1 377 . 1 . 1 57 57 SER CB C 13 63.812 0.3 . 1 . . . . . 59 SER CB . 52227 1 378 . 1 . 1 57 57 SER N N 15 116.500 0.2 . 1 . . . . . 59 SER N . 52227 1 379 . 1 . 1 58 58 TYR H H 1 8.060 0.02 . 1 . . . . . 60 TYR HN . 52227 1 380 . 1 . 1 58 58 TYR HA H 1 4.413 0.02 . 1 . . . . . 60 TYR HA . 52227 1 381 . 1 . 1 58 58 TYR HB2 H 1 2.790 0.02 . 2 . . . . . 60 TYR HB1 . 52227 1 382 . 1 . 1 58 58 TYR HB3 H 1 2.892 0.02 . 2 . . . . . 60 TYR HB2 . 52227 1 383 . 1 . 1 58 58 TYR HD1 H 1 6.890 0.02 . 3 . . . . . 60 TYR HD1 . 52227 1 384 . 1 . 1 58 58 TYR CA C 13 57.950 0.3 . 1 . . . . . 60 TYR CA . 52227 1 385 . 1 . 1 58 58 TYR CB C 13 38.797 0.3 . 1 . . . . . 60 TYR CB . 52227 1 386 . 1 . 1 58 58 TYR CD1 C 13 133.100 0.3 . 3 . . . . . 60 TYR CD1 . 52227 1 387 . 1 . 1 58 58 TYR N N 15 121.886 0.2 . 1 . . . . . 60 TYR N . 52227 1 388 . 1 . 1 59 59 SER H H 1 8.027 0.02 . 1 . . . . . 61 SER HN . 52227 1 389 . 1 . 1 59 59 SER HA H 1 4.268 0.02 . 1 . . . . . 61 SER HA . 52227 1 390 . 1 . 1 59 59 SER HB2 H 1 3.719 0.02 . 2 . . . . . 61 SER HB1 . 52227 1 391 . 1 . 1 59 59 SER HB3 H 1 3.636 0.02 . 2 . . . . . 61 SER HB2 . 52227 1 392 . 1 . 1 59 59 SER CA C 13 58.055 0.3 . 1 . . . . . 61 SER CA . 52227 1 393 . 1 . 1 59 59 SER CB C 13 63.875 0.3 . 1 . . . . . 61 SER CB . 52227 1 394 . 1 . 1 59 59 SER N N 15 116.883 0.2 . 1 . . . . . 61 SER N . 52227 1 395 . 1 . 1 60 60 SER H H 1 8.186 0.02 . 1 . . . . . 62 SER HN . 52227 1 396 . 1 . 1 60 60 SER HA H 1 4.273 0.02 . 1 . . . . . 62 SER HA . 52227 1 397 . 1 . 1 60 60 SER HB2 H 1 3.660 0.02 . 2 . . . . . 62 SER HB1 . 52227 1 398 . 1 . 1 60 60 SER HB3 H 1 3.715 0.02 . 2 . . . . . 62 SER HB2 . 52227 1 399 . 1 . 1 60 60 SER CA C 13 58.591 0.3 . 1 . . . . . 62 SER CA . 52227 1 400 . 1 . 1 60 60 SER CB C 13 63.681 0.3 . 1 . . . . . 62 SER CB . 52227 1 401 . 1 . 1 60 60 SER N N 15 117.643 0.2 . 1 . . . . . 62 SER N . 52227 1 402 . 1 . 1 61 61 ASN H H 1 8.187 0.02 . 1 . . . . . 63 ASN HN . 52227 1 403 . 1 . 1 61 61 ASN HA H 1 4.516 0.02 . 1 . . . . . 63 ASN HA . 52227 1 404 . 1 . 1 61 61 ASN HB2 H 1 2.583 0.02 . 2 . . . . . 63 ASN HB1 . 52227 1 405 . 1 . 1 61 61 ASN HB3 H 1 2.510 0.02 . 2 . . . . . 63 ASN HB2 . 52227 1 406 . 1 . 1 61 61 ASN HD21 H 1 7.370 0.02 . 2 . . . . . 63 ASN HD21 . 52227 1 407 . 1 . 1 61 61 ASN HD22 H 1 6.750 0.02 . 2 . . . . . 63 ASN HD22 . 52227 1 408 . 1 . 1 61 61 ASN CA C 13 53.233 0.3 . 1 . . . . . 63 ASN CA . 52227 1 409 . 1 . 1 61 61 ASN CB C 13 38.580 0.3 . 1 . . . . . 63 ASN CB . 52227 1 410 . 1 . 1 61 61 ASN N N 15 120.041 0.2 . 1 . . . . . 63 ASN N . 52227 1 411 . 1 . 1 61 61 ASN ND2 N 15 112.400 0.2 . 1 . . . . . 63 ASN ND2 . 52227 1 412 . 1 . 1 62 62 TYR H H 1 7.921 0.02 . 1 . . . . . 64 TYR HN . 52227 1 413 . 1 . 1 62 62 TYR HA H 1 4.315 0.02 . 1 . . . . . 64 TYR HA . 52227 1 414 . 1 . 1 62 62 TYR HB2 H 1 2.887 0.02 . 2 . . . . . 64 TYR HB1 . 52227 1 415 . 1 . 1 62 62 TYR HB3 H 1 2.794 0.02 . 2 . . . . . 64 TYR HB2 . 52227 1 416 . 1 . 1 62 62 TYR HD1 H 1 6.910 0.02 . 3 . . . . . 64 TYR HD1 . 52227 1 417 . 1 . 1 62 62 TYR HE1 H 1 6.630 0.02 . 3 . . . . . 64 TYR HE1 . 52227 1 418 . 1 . 1 62 62 TYR CA C 13 58.151 0.3 . 1 . . . . . 64 TYR CA . 52227 1 419 . 1 . 1 62 62 TYR CB C 13 38.563 0.3 . 1 . . . . . 64 TYR CB . 52227 1 420 . 1 . 1 62 62 TYR CD1 C 13 133.050 0.3 . 3 . . . . . 64 TYR CD1 . 52227 1 421 . 1 . 1 62 62 TYR CE1 C 13 118.100 0.3 . 3 . . . . . 64 TYR CE1 . 52227 1 422 . 1 . 1 62 62 TYR N N 15 120.689 0.2 . 1 . . . . . 64 TYR N . 52227 1 423 . 1 . 1 63 63 ALA H H 1 7.933 0.02 . 1 . . . . . 65 ALA HN . 52227 1 424 . 1 . 1 63 63 ALA HA H 1 4.092 0.02 . 1 . . . . . 65 ALA HA . 52227 1 425 . 1 . 1 63 63 ALA HB1 H 1 1.172 0.02 . 1 . . . . . 65 ALA HB1 . 52227 1 426 . 1 . 1 63 63 ALA HB2 H 1 1.172 0.02 . 1 . . . . . 65 ALA HB1 . 52227 1 427 . 1 . 1 63 63 ALA HB3 H 1 1.172 0.02 . 1 . . . . . 65 ALA HB1 . 52227 1 428 . 1 . 1 63 63 ALA CA C 13 52.178 0.3 . 1 . . . . . 65 ALA CA . 52227 1 429 . 1 . 1 63 63 ALA CB C 13 19.200 0.3 . 1 . . . . . 65 ALA CB . 52227 1 430 . 1 . 1 63 63 ALA N N 15 125.272 0.2 . 1 . . . . . 65 ALA N . 52227 1 431 . 1 . 1 64 64 ALA H H 1 8.008 0.02 . 1 . . . . . 66 ALA HN . 52227 1 432 . 1 . 1 64 64 ALA HA H 1 4.170 0.02 . 1 . . . . . 66 ALA HA . 52227 1 433 . 1 . 1 64 64 ALA HB1 H 1 1.239 0.02 . 1 . . . . . 66 ALA HB1 . 52227 1 434 . 1 . 1 64 64 ALA HB2 H 1 1.239 0.02 . 1 . . . . . 66 ALA HB1 . 52227 1 435 . 1 . 1 64 64 ALA HB3 H 1 1.239 0.02 . 1 . . . . . 66 ALA HB1 . 52227 1 436 . 1 . 1 64 64 ALA CA C 13 52.500 0.3 . 1 . . . . . 66 ALA CA . 52227 1 437 . 1 . 1 64 64 ALA CB C 13 19.133 0.3 . 1 . . . . . 66 ALA CB . 52227 1 438 . 1 . 1 64 64 ALA N N 15 123.218 0.2 . 1 . . . . . 66 ALA N . 52227 1 439 . 1 . 1 65 65 THR H H 1 7.923 0.02 . 1 . . . . . 67 THR HN . 52227 1 440 . 1 . 1 65 65 THR HA H 1 4.200 0.02 . 1 . . . . . 67 THR HA . 52227 1 441 . 1 . 1 65 65 THR HB H 1 4.098 0.02 . 1 . . . . . 67 THR HB . 52227 1 442 . 1 . 1 65 65 THR HG21 H 1 1.055 0.02 . 1 . . . . . 67 THR HG21 . 52227 1 443 . 1 . 1 65 65 THR HG22 H 1 1.055 0.02 . 1 . . . . . 67 THR HG21 . 52227 1 444 . 1 . 1 65 65 THR HG23 H 1 1.055 0.02 . 1 . . . . . 67 THR HG21 . 52227 1 445 . 1 . 1 65 65 THR CA C 13 61.770 0.3 . 1 . . . . . 67 THR CA . 52227 1 446 . 1 . 1 65 65 THR CB C 13 69.948 0.3 . 1 . . . . . 67 THR CB . 52227 1 447 . 1 . 1 65 65 THR CG2 C 13 21.420 0.3 . 1 . . . . . 67 THR CG2 . 52227 1 448 . 1 . 1 65 65 THR N N 15 111.970 0.2 . 1 . . . . . 67 THR N . 52227 1 449 . 1 . 1 66 66 GLY H H 1 8.209 0.02 . 1 . . . . . 68 GLY HN . 52227 1 450 . 1 . 1 66 66 GLY HA2 H 1 3.801 0.02 . 2 . . . . . 68 GLY HA1 . 52227 1 451 . 1 . 1 66 66 GLY HA3 H 1 3.801 0.02 . 2 . . . . . 68 GLY HA2 . 52227 1 452 . 1 . 1 66 66 GLY CA C 13 45.312 0.3 . 1 . . . . . 68 GLY CA . 52227 1 453 . 1 . 1 66 66 GLY N N 15 110.662 0.2 . 1 . . . . . 68 GLY N . 52227 1 454 . 1 . 1 67 67 ASP H H 1 8.141 0.02 . 1 . . . . . 69 ASP HN . 52227 1 455 . 1 . 1 67 67 ASP HA H 1 4.541 0.02 . 1 . . . . . 69 ASP HA . 52227 1 456 . 1 . 1 67 67 ASP HB2 H 1 2.594 0.02 . 2 . . . . . 69 ASP HB1 . 52227 1 457 . 1 . 1 67 67 ASP HB3 H 1 2.534 0.02 . 2 . . . . . 69 ASP HB2 . 52227 1 458 . 1 . 1 67 67 ASP CA C 13 54.060 0.3 . 1 . . . . . 69 ASP CA . 52227 1 459 . 1 . 1 67 67 ASP CB C 13 41.086 0.3 . 1 . . . . . 69 ASP CB . 52227 1 460 . 1 . 1 67 67 ASP N N 15 120.255 0.2 . 1 . . . . . 69 ASP N . 52227 1 461 . 1 . 1 68 68 SER H H 1 8.300 0.02 . 1 . . . . . 70 SER HN . 52227 1 462 . 1 . 1 68 68 SER HA H 1 4.260 0.02 . 1 . . . . . 70 SER HA . 52227 1 463 . 1 . 1 68 68 SER HB2 H 1 3.770 0.02 . 2 . . . . . 70 SER HB1 . 52227 1 464 . 1 . 1 68 68 SER HB3 H 1 3.740 0.02 . 2 . . . . . 70 SER HB2 . 52227 1 465 . 1 . 1 68 68 SER CA C 13 58.786 0.3 . 1 . . . . . 70 SER CA . 52227 1 466 . 1 . 1 68 68 SER CB C 13 63.707 0.3 . 1 . . . . . 70 SER CB . 52227 1 467 . 1 . 1 68 68 SER N N 15 116.566 0.2 . 1 . . . . . 70 SER N . 52227 1 468 . 1 . 1 69 69 GLY H H 1 8.392 0.02 . 1 . . . . . 71 GLY HN . 52227 1 469 . 1 . 1 69 69 GLY HA2 H 1 3.846 0.02 . 2 . . . . . 71 GLY HA1 . 52227 1 470 . 1 . 1 69 69 GLY HA3 H 1 3.846 0.02 . 2 . . . . . 71 GLY HA2 . 52227 1 471 . 1 . 1 69 69 GLY CA C 13 45.401 0.3 . 1 . . . . . 71 GLY CA . 52227 1 472 . 1 . 1 69 69 GLY N N 15 110.630 0.2 . 1 . . . . . 71 GLY N . 52227 1 473 . 1 . 1 70 70 THR H H 1 7.957 0.02 . 1 . . . . . 72 THR HN . 52227 1 474 . 1 . 1 70 70 THR HA H 1 4.202 0.02 . 1 . . . . . 72 THR HA . 52227 1 475 . 1 . 1 70 70 THR HB H 1 4.148 0.02 . 1 . . . . . 72 THR HB . 52227 1 476 . 1 . 1 70 70 THR HG21 H 1 1.043 0.02 . 1 . . . . . 72 THR HG21 . 52227 1 477 . 1 . 1 70 70 THR HG22 H 1 1.043 0.02 . 1 . . . . . 72 THR HG21 . 52227 1 478 . 1 . 1 70 70 THR HG23 H 1 1.043 0.02 . 1 . . . . . 72 THR HG21 . 52227 1 479 . 1 . 1 70 70 THR CA C 13 61.901 0.3 . 1 . . . . . 72 THR CA . 52227 1 480 . 1 . 1 70 70 THR CB C 13 69.700 0.3 . 1 . . . . . 72 THR CB . 52227 1 481 . 1 . 1 70 70 THR CG2 C 13 21.444 0.3 . 1 . . . . . 72 THR CG2 . 52227 1 482 . 1 . 1 70 70 THR N N 15 112.499 0.2 . 1 . . . . . 72 THR N . 52227 1 483 . 1 . 1 71 71 GLY H H 1 8.370 0.02 . 1 . . . . . 73 GLY HN . 52227 1 484 . 1 . 1 71 71 GLY HA2 H 1 3.811 0.02 . 2 . . . . . 73 GLY HA1 . 52227 1 485 . 1 . 1 71 71 GLY HA3 H 1 3.811 0.02 . 2 . . . . . 73 GLY HA2 . 52227 1 486 . 1 . 1 71 71 GLY CA C 13 45.391 0.3 . 1 . . . . . 73 GLY CA . 52227 1 487 . 1 . 1 71 71 GLY N N 15 111.073 0.2 . 1 . . . . . 73 GLY N . 52227 1 488 . 1 . 1 72 72 GLN H H 1 8.170 0.02 . 1 . . . . . 74 GLN HN . 52227 1 489 . 1 . 1 72 72 GLN HA H 1 4.194 0.02 . 1 . . . . . 74 GLN HA . 52227 1 490 . 1 . 1 72 72 GLN HB2 H 1 1.989 0.02 . 2 . . . . . 74 GLN HB1 . 52227 1 491 . 1 . 1 72 72 GLN HB3 H 1 1.806 0.02 . 2 . . . . . 74 GLN HB2 . 52227 1 492 . 1 . 1 72 72 GLN HG2 H 1 2.190 0.02 . 2 . . . . . 74 GLN HG1 . 52227 1 493 . 1 . 1 72 72 GLN HG3 H 1 2.190 0.02 . 2 . . . . . 74 GLN HG2 . 52227 1 494 . 1 . 1 72 72 GLN HE21 H 1 6.650 0.02 . 2 . . . . . 74 GLN HE21 . 52227 1 495 . 1 . 1 72 72 GLN HE22 H 1 6.650 0.02 . 2 . . . . . 74 GLN HE22 . 52227 1 496 . 1 . 1 72 72 GLN CA C 13 55.892 0.3 . 1 . . . . . 74 GLN CA . 52227 1 497 . 1 . 1 72 72 GLN CB C 13 29.259 0.3 . 1 . . . . . 74 GLN CB . 52227 1 498 . 1 . 1 72 72 GLN CG C 13 33.712 0.3 . 1 . . . . . 74 GLN CG . 52227 1 499 . 1 . 1 72 72 GLN N N 15 119.663 0.2 . 1 . . . . . 74 GLN N . 52227 1 500 . 1 . 1 72 72 GLN NE2 N 15 112.400 0.2 . 1 . . . . . 74 GLN NE2 . 52227 1 501 . 1 . 1 73 73 GLY H H 1 8.390 0.02 . 1 . . . . . 75 GLY HN . 52227 1 502 . 1 . 1 73 73 GLY HA2 H 1 3.790 0.02 . 2 . . . . . 75 GLY HA1 . 52227 1 503 . 1 . 1 73 73 GLY HA3 H 1 3.790 0.02 . 2 . . . . . 75 GLY HA2 . 52227 1 504 . 1 . 1 73 73 GLY CA C 13 45.331 0.3 . 1 . . . . . 75 GLY CA . 52227 1 505 . 1 . 1 73 73 GLY N N 15 109.857 0.2 . 1 . . . . . 75 GLY N . 52227 1 506 . 1 . 1 74 74 GLY H H 1 8.087 0.02 . 1 . . . . . 76 GLY HN . 52227 1 507 . 1 . 1 74 74 GLY HA2 H 1 3.740 0.02 . 2 . . . . . 76 GLY HA1 . 52227 1 508 . 1 . 1 74 74 GLY HA3 H 1 3.740 0.02 . 2 . . . . . 76 GLY HA2 . 52227 1 509 . 1 . 1 74 74 GLY CA C 13 45.100 0.3 . 1 . . . . . 76 GLY CA . 52227 1 510 . 1 . 1 74 74 GLY N N 15 108.379 0.2 . 1 . . . . . 76 GLY N . 52227 1 511 . 1 . 1 75 75 TYR H H 1 7.993 0.02 . 1 . . . . . 77 TYR HN . 52227 1 512 . 1 . 1 75 75 TYR HA H 1 4.385 0.02 . 1 . . . . . 77 TYR HA . 52227 1 513 . 1 . 1 75 75 TYR HB2 H 1 2.892 0.02 . 2 . . . . . 77 TYR HB1 . 52227 1 514 . 1 . 1 75 75 TYR HB3 H 1 2.793 0.02 . 2 . . . . . 77 TYR HB2 . 52227 1 515 . 1 . 1 75 75 TYR HD1 H 1 6.945 0.02 . 3 . . . . . 77 TYR HD1 . 52227 1 516 . 1 . 1 75 75 TYR HE1 H 1 6.636 0.02 . 3 . . . . . 77 TYR HE1 . 52227 1 517 . 1 . 1 75 75 TYR CA C 13 58.205 0.3 . 1 . . . . . 77 TYR CA . 52227 1 518 . 1 . 1 75 75 TYR CB C 13 38.727 0.3 . 1 . . . . . 77 TYR CB . 52227 1 519 . 1 . 1 75 75 TYR CD1 C 13 133.100 0.3 . 3 . . . . . 77 TYR CD1 . 52227 1 520 . 1 . 1 75 75 TYR CE1 C 13 118.14 0.3 . 3 . . . . . 77 TYR CE1 . 52227 1 521 . 1 . 1 75 75 TYR N N 15 120.120 0.2 . 1 . . . . . 77 TYR N . 52227 1 522 . 1 . 1 76 76 SER H H 1 8.120 0.02 . 1 . . . . . 78 SER HN . 52227 1 523 . 1 . 1 76 76 SER HA H 1 4.270 0.02 . 1 . . . . . 78 SER HA . 52227 1 524 . 1 . 1 76 76 SER HB2 H 1 3.700 0.02 . 2 . . . . . 78 SER HB1 . 52227 1 525 . 1 . 1 76 76 SER HB3 H 1 3.677 0.02 . 2 . . . . . 78 SER HB2 . 52227 1 526 . 1 . 1 76 76 SER CA C 13 58.291 0.3 . 1 . . . . . 78 SER CA . 52227 1 527 . 1 . 1 76 76 SER CB C 13 63.768 0.3 . 1 . . . . . 78 SER CB . 52227 1 528 . 1 . 1 76 76 SER N N 15 117.178 0.2 . 1 . . . . . 78 SER N . 52227 1 529 . 1 . 1 77 77 SER H H 1 8.172 0.02 . 1 . . . . . 79 SER HN . 52227 1 530 . 1 . 1 77 77 SER HA H 1 4.261 0.02 . 1 . . . . . 79 SER HA . 52227 1 531 . 1 . 1 77 77 SER HB2 H 1 3.736 0.02 . 2 . . . . . 79 SER HB1 . 52227 1 532 . 1 . 1 77 77 SER HB3 H 1 3.736 0.02 . 2 . . . . . 79 SER HB2 . 52227 1 533 . 1 . 1 77 77 SER CA C 13 58.593 0.3 . 1 . . . . . 79 SER CA . 52227 1 534 . 1 . 1 77 77 SER CB C 13 63.700 0.3 . 1 . . . . . 79 SER CB . 52227 1 535 . 1 . 1 77 77 SER N N 15 117.775 0.2 . 1 . . . . . 79 SER N . 52227 1 536 . 1 . 1 78 78 MET H H 1 8.100 0.02 . 1 . . . . . 80 MET HN . 52227 1 537 . 1 . 1 78 78 MET HA H 1 4.304 0.02 . 1 . . . . . 80 MET HA . 52227 1 538 . 1 . 1 78 78 MET HB2 H 1 1.932 0.02 . 2 . . . . . 80 MET HB1 . 52227 1 539 . 1 . 1 78 78 MET HB3 H 1 1.843 0.02 . 2 . . . . . 80 MET HB2 . 52227 1 540 . 1 . 1 78 78 MET HG2 H 1 2.445 0.02 . 2 . . . . . 80 MET HG1 . 52227 1 541 . 1 . 1 78 78 MET HG3 H 1 2.374 0.02 . 2 . . . . . 80 MET HG2 . 52227 1 542 . 1 . 1 78 78 MET HE1 H 1 1.920 0.02 . 1 . . . . . 80 MET HE1 . 52227 1 543 . 1 . 1 78 78 MET HE2 H 1 1.920 0.02 . 1 . . . . . 80 MET HE1 . 52227 1 544 . 1 . 1 78 78 MET HE3 H 1 1.920 0.02 . 1 . . . . . 80 MET HE1 . 52227 1 545 . 1 . 1 78 78 MET CA C 13 55.714 0.3 . 1 . . . . . 80 MET CA . 52227 1 546 . 1 . 1 78 78 MET CB C 13 32.606 0.3 . 1 . . . . . 80 MET CB . 52227 1 547 . 1 . 1 78 78 MET CG C 13 31.808 0.3 . 1 . . . . . 80 MET CG . 52227 1 548 . 1 . 1 78 78 MET CE C 13 16.890 0.3 . 1 . . . . . 80 MET CE . 52227 1 549 . 1 . 1 78 78 MET N N 15 121.481 0.2 . 1 . . . . . 80 MET N . 52227 1 550 . 1 . 1 79 79 ARG H H 1 8.135 0.02 . 1 . . . . . 81 ARG HN . 52227 1 551 . 1 . 1 79 79 ARG HA H 1 4.180 0.02 . 1 . . . . . 81 ARG HA . 52227 1 552 . 1 . 1 79 79 ARG HB2 H 1 1.587 0.02 . 2 . . . . . 81 ARG HB1 . 52227 1 553 . 1 . 1 79 79 ARG HB3 H 1 1.704 0.02 . 2 . . . . . 81 ARG HB2 . 52227 1 554 . 1 . 1 79 79 ARG HG2 H 1 1.463 0.02 . 2 . . . . . 81 ARG HG1 . 52227 1 555 . 1 . 1 79 79 ARG HG3 H 1 1.463 0.02 . 2 . . . . . 81 ARG HG2 . 52227 1 556 . 1 . 1 79 79 ARG HD2 H 1 3.009 0.02 . 2 . . . . . 81 ARG HD1 . 52227 1 557 . 1 . 1 79 79 ARG HD3 H 1 3.009 0.02 . 2 . . . . . 81 ARG HD2 . 52227 1 558 . 1 . 1 79 79 ARG HE H 1 7.040 0.02 . 1 . . . . . 81 ARG HE . 52227 1 559 . 1 . 1 79 79 ARG CA C 13 55.960 0.3 . 1 . . . . . 81 ARG CA . 52227 1 560 . 1 . 1 79 79 ARG CB C 13 30.677 0.3 . 1 . . . . . 81 ARG CB . 52227 1 561 . 1 . 1 79 79 ARG CG C 13 26.895 0.3 . 1 . . . . . 81 ARG CG . 52227 1 562 . 1 . 1 79 79 ARG CD C 13 43.209 0.3 . 1 . . . . . 81 ARG CD . 52227 1 563 . 1 . 1 79 79 ARG N N 15 121.812 0.2 . 1 . . . . . 81 ARG N . 52227 1 564 . 1 . 1 79 79 ARG NE N 15 84.450 0.2 . 1 . . . . . 81 ARG NE . 52227 1 565 . 1 . 1 80 80 SER H H 1 8.191 0.02 . 1 . . . . . 82 SER HN . 52227 1 566 . 1 . 1 80 80 SER HA H 1 4.311 0.02 . 1 . . . . . 82 SER HA . 52227 1 567 . 1 . 1 80 80 SER HB2 H 1 3.730 0.02 . 2 . . . . . 82 SER HB1 . 52227 1 568 . 1 . 1 80 80 SER HB3 H 1 3.730 0.02 . 2 . . . . . 82 SER HB2 . 52227 1 569 . 1 . 1 80 80 SER CA C 13 58.382 0.3 . 1 . . . . . 82 SER CA . 52227 1 570 . 1 . 1 80 80 SER CB C 13 63.767 0.3 . 1 . . . . . 82 SER CB . 52227 1 571 . 1 . 1 80 80 SER N N 15 116.753 0.2 . 1 . . . . . 82 SER N . 52227 1 572 . 1 . 1 81 81 GLY H H 1 8.273 0.02 . 1 . . . . . 83 GLY HN . 52227 1 573 . 1 . 1 81 81 GLY HA2 H 1 3.802 0.02 . 2 . . . . . 83 GLY HA1 . 52227 1 574 . 1 . 1 81 81 GLY HA3 H 1 3.802 0.02 . 2 . . . . . 83 GLY HA2 . 52227 1 575 . 1 . 1 81 81 GLY CA C 13 44.982 0.3 . 1 . . . . . 83 GLY CA . 52227 1 576 . 1 . 1 81 81 GLY N N 15 110.315 0.2 . 1 . . . . . 83 GLY N . 52227 1 577 . 1 . 1 82 82 ASN H H 1 8.186 0.02 . 1 . . . . . 84 ASN HN . 52227 1 578 . 1 . 1 82 82 ASN HA H 1 4.846 0.02 . 1 . . . . . 84 ASN HA . 52227 1 579 . 1 . 1 82 82 ASN HB2 H 1 2.600 0.02 . 2 . . . . . 84 ASN HB1 . 52227 1 580 . 1 . 1 82 82 ASN HB3 H 1 2.451 0.02 . 2 . . . . . 84 ASN HB2 . 52227 1 581 . 1 . 1 82 82 ASN HD21 H 1 7.436 0.02 . 2 . . . . . 84 ASN HD21 . 52227 1 582 . 1 . 1 82 82 ASN HD22 H 1 6.820 0.02 . 2 . . . . . 84 ASN HD22 . 52227 1 583 . 1 . 1 82 82 ASN CA C 13 51.371 0.3 . 1 . . . . . 84 ASN CA . 52227 1 584 . 1 . 1 82 82 ASN CB C 13 38.522 0.3 . 1 . . . . . 84 ASN CB . 52227 1 585 . 1 . 1 82 82 ASN N N 15 119.185 0.2 . 1 . . . . . 84 ASN N . 52227 1 586 . 1 . 1 82 82 ASN ND2 N 15 113.104 0.2 . 1 . . . . . 84 ASN ND2 . 52227 1 587 . 1 . 1 83 83 PRO HG2 H 1 1.850 0.02 . 2 . . . . . 85 PRO HG2 . 52227 1 588 . 1 . 1 83 83 PRO HD2 H 1 3.475 0.02 . 2 . . . . . 85 PRO HD1 . 52227 1 589 . 1 . 1 83 83 PRO HD3 H 1 3.617 0.02 . 2 . . . . . 85 PRO HD2 . 52227 1 590 . 1 . 1 83 83 PRO CG C 13 27.150 0.3 . 1 . . . . . 85 PRO CG . 52227 1 591 . 1 . 1 83 83 PRO CD C 13 50.443 0.3 . 1 . . . . . 85 PRO CD . 52227 1 592 . 1 . 1 84 84 PRO HA H 1 4.486 0.02 . 1 . . . . . 86 PRO HA . 52227 1 593 . 1 . 1 84 84 PRO HB2 H 1 1.710 0.02 . 2 . . . . . 86 PRO HB1 . 52227 1 594 . 1 . 1 84 84 PRO HB3 H 1 2.131 0.02 . 2 . . . . . 86 PRO HB2 . 52227 1 595 . 1 . 1 84 84 PRO HG2 H 1 1.850 0.02 . 2 . . . . . 86 PRO HG1 . 52227 1 596 . 1 . 1 84 84 PRO HG3 H 1 1.850 0.02 . 2 . . . . . 86 PRO HG2 . 52227 1 597 . 1 . 1 84 84 PRO HD2 H 1 3.610 0.02 . 2 . . . . . 86 PRO HD1 . 52227 1 598 . 1 . 1 84 84 PRO HD3 H 1 3.450 0.02 . 2 . . . . . 86 PRO HD2 . 52227 1 599 . 1 . 1 84 84 PRO CA C 13 61.268 0.3 . 1 . . . . . 86 PRO CA . 52227 1 600 . 1 . 1 84 84 PRO CB C 13 30.633 0.3 . 1 . . . . . 86 PRO CB . 52227 1 601 . 1 . 1 84 84 PRO CG C 13 27.100 0.3 . 1 . . . . . 86 PRO CG . 52227 1 602 . 1 . 1 84 84 PRO CD C 13 50.000 0.3 . 1 . . . . . 86 PRO CD . 52227 1 603 . 1 . 1 85 85 PRO HA H 1 4.187 0.02 . 1 . . . . . 87 PRO HA . 52227 1 604 . 1 . 1 85 85 PRO HB2 H 1 1.617 0.02 . 2 . . . . . 87 PRO HB1 . 52227 1 605 . 1 . 1 85 85 PRO HB3 H 1 2.021 0.02 . 2 . . . . . 87 PRO HB2 . 52227 1 606 . 1 . 1 85 85 PRO HG2 H 1 1.810 0.02 . 2 . . . . . 87 PRO HG1 . 52227 1 607 . 1 . 1 85 85 PRO HG3 H 1 1.760 0.02 . 2 . . . . . 87 PRO HG2 . 52227 1 608 . 1 . 1 85 85 PRO HD2 H 1 3.550 0.02 . 2 . . . . . 87 PRO HD1 . 52227 1 609 . 1 . 1 85 85 PRO HD3 H 1 3.390 0.02 . 2 . . . . . 87 PRO HD2 . 52227 1 610 . 1 . 1 85 85 PRO CA C 13 62.900 0.3 . 1 . . . . . 87 PRO CA . 52227 1 611 . 1 . 1 85 85 PRO CB C 13 31.693 0.3 . 1 . . . . . 87 PRO CB . 52227 1 612 . 1 . 1 85 85 PRO CG C 13 27.118 0.3 . 1 . . . . . 87 PRO CG . 52227 1 613 . 1 . 1 85 85 PRO CD C 13 50.200 0.3 . 1 . . . . . 87 PRO CD . 52227 1 614 . 1 . 1 86 86 PHE H H 1 8.025 0.02 . 1 . . . . . 88 PHE HN . 52227 1 615 . 1 . 1 86 86 PHE HA H 1 4.722 0.02 . 1 . . . . . 88 PHE HA . 52227 1 616 . 1 . 1 86 86 PHE HB2 H 1 2.950 0.02 . 2 . . . . . 88 PHE HB1 . 52227 1 617 . 1 . 1 86 86 PHE HB3 H 1 2.834 0.02 . 2 . . . . . 88 PHE HB2 . 52227 1 618 . 1 . 1 86 86 PHE HD1 H 1 7.146 0.02 . 3 . . . . . 88 PHE HD1 . 52227 1 619 . 1 . 1 86 86 PHE CA C 13 55.238 0.3 . 1 . . . . . 88 PHE CA . 52227 1 620 . 1 . 1 86 86 PHE CB C 13 39.093 0.3 . 1 . . . . . 88 PHE CB . 52227 1 621 . 1 . 1 86 86 PHE CD1 C 13 131.741 0.3 . 3 . . . . . 88 PHE CD1 . 52227 1 622 . 1 . 1 86 86 PHE N N 15 120.758 0.2 . 1 . . . . . 88 PHE N . 52227 1 623 . 1 . 1 87 87 PRO HA H 1 4.247 0.02 . 1 . . . . . 89 PRO HA . 52227 1 624 . 1 . 1 87 87 PRO HB2 H 1 1.805 0.02 . 2 . . . . . 89 PRO HB1 . 52227 1 625 . 1 . 1 87 87 PRO HB3 H 1 2.069 0.02 . 2 . . . . . 89 PRO HB2 . 52227 1 626 . 1 . 1 87 87 PRO HG2 H 1 1.849 0.02 . 2 . . . . . 89 PRO HG1 . 52227 1 627 . 1 . 1 87 87 PRO HG3 H 1 1.789 0.02 . 2 . . . . . 89 PRO HG2 . 52227 1 628 . 1 . 1 87 87 PRO HD2 H 1 3.309 0.02 . 2 . . . . . 89 PRO HD1 . 52227 1 629 . 1 . 1 87 87 PRO HD3 H 1 3.601 0.02 . 2 . . . . . 89 PRO HD2 . 52227 1 630 . 1 . 1 87 87 PRO CA C 13 63.368 0.3 . 1 . . . . . 89 PRO CA . 52227 1 631 . 1 . 1 87 87 PRO CB C 13 31.858 0.3 . 1 . . . . . 89 PRO CB . 52227 1 632 . 1 . 1 87 87 PRO CG C 13 27.130 0.3 . 1 . . . . . 89 PRO CG . 52227 1 633 . 1 . 1 87 87 PRO CD C 13 50.551 0.3 . 1 . . . . . 89 PRO CD . 52227 1 634 . 1 . 1 88 88 GLY H H 1 7.762 0.02 . 1 . . . . . 90 GLY HN . 52227 1 635 . 1 . 1 88 88 GLY HA2 H 1 3.789 0.02 . 2 . . . . . 90 GLY HA1 . 52227 1 636 . 1 . 1 88 88 GLY HA3 H 1 3.785 0.02 . 2 . . . . . 90 GLY HA2 . 52227 1 637 . 1 . 1 88 88 GLY CA C 13 45.136 0.3 . 1 . . . . . 90 GLY CA . 52227 1 638 . 1 . 1 88 88 GLY N N 15 108.207 0.2 . 1 . . . . . 90 GLY N . 52227 1 639 . 1 . 1 89 89 ASN H H 1 8.214 0.02 . 1 . . . . . 91 ASN HN . 52227 1 640 . 1 . 1 89 89 ASN HA H 1 4.665 0.02 . 1 . . . . . 91 ASN HA . 52227 1 641 . 1 . 1 89 89 ASN HB2 H 1 2.702 0.02 . 2 . . . . . 91 ASN HB1 . 52227 1 642 . 1 . 1 89 89 ASN HB3 H 1 2.604 0.02 . 2 . . . . . 91 ASN HB2 . 52227 1 643 . 1 . 1 89 89 ASN HD21 H 1 7.460 0.02 . 2 . . . . . 91 ASN HD21 . 52227 1 644 . 1 . 1 89 89 ASN HD22 H 1 7.460 0.02 . 2 . . . . . 91 ASN HD22 . 52227 1 645 . 1 . 1 89 89 ASN CA C 13 52.956 0.3 . 1 . . . . . 91 ASN CA . 52227 1 646 . 1 . 1 89 89 ASN CB C 13 39.240 0.3 . 1 . . . . . 91 ASN CB . 52227 1 647 . 1 . 1 89 89 ASN N N 15 118.181 0.2 . 1 . . . . . 91 ASN N . 52227 1 648 . 1 . 1 89 89 ASN ND2 N 15 112.500 0.2 . 1 . . . . . 91 ASN ND2 . 52227 1 649 . 1 . 1 90 90 GLY H H 1 8.121 0.02 . 1 . . . . . 92 GLY HN . 52227 1 650 . 1 . 1 90 90 GLY HA2 H 1 3.900 0.02 . 2 . . . . . 92 GLY HA1 . 52227 1 651 . 1 . 1 90 90 GLY HA3 H 1 3.900 0.02 . 2 . . . . . 92 GLY HA2 . 52227 1 652 . 1 . 1 90 90 GLY CA C 13 44.653 0.3 . 1 . . . . . 92 GLY CA . 52227 1 653 . 1 . 1 90 90 GLY N N 15 109.069 0.2 . 1 . . . . . 92 GLY N . 52227 1 654 . 1 . 1 91 91 PRO HA H 1 4.178 0.02 . 1 . . . . . 93 PRO HA . 52227 1 655 . 1 . 1 91 91 PRO HB2 H 1 1.986 0.02 . 2 . . . . . 93 PRO HB1 . 52227 1 656 . 1 . 1 91 91 PRO HB3 H 1 1.524 0.02 . 2 . . . . . 93 PRO HB2 . 52227 1 657 . 1 . 1 91 91 PRO HG2 H 1 1.730 0.02 . 2 . . . . . 93 PRO HG1 . 52227 1 658 . 1 . 1 91 91 PRO HG3 H 1 1.605 0.02 . 2 . . . . . 93 PRO HG2 . 52227 1 659 . 1 . 1 91 91 PRO HD2 H 1 3.385 0.02 . 2 . . . . . 93 PRO HD1 . 52227 1 660 . 1 . 1 91 91 PRO HD3 H 1 3.347 0.02 . 2 . . . . . 93 PRO HD2 . 52227 1 661 . 1 . 1 91 91 PRO CA C 13 63.203 0.3 . 1 . . . . . 93 PRO CA . 52227 1 662 . 1 . 1 91 91 PRO CB C 13 31.778 0.3 . 1 . . . . . 93 PRO CB . 52227 1 663 . 1 . 1 91 91 PRO CG C 13 26.780 0.3 . 1 . . . . . 93 PRO CG . 52227 1 664 . 1 . 1 91 91 PRO CD C 13 49.587 0.3 . 1 . . . . . 93 PRO CD . 52227 1 665 . 1 . 1 92 92 PHE H H 1 8.140 0.02 . 1 . . . . . 94 PHE HN . 52227 1 666 . 1 . 1 92 92 PHE HA H 1 4.452 0.02 . 1 . . . . . 94 PHE HA . 52227 1 667 . 1 . 1 92 92 PHE HB2 H 1 2.997 0.02 . 2 . . . . . 94 PHE HB1 . 52227 1 668 . 1 . 1 92 92 PHE HB3 H 1 2.861 0.02 . 2 . . . . . 94 PHE HB2 . 52227 1 669 . 1 . 1 92 92 PHE HD1 H 1 7.100 0.02 . 3 . . . . . 94 PHE HD1 . 52227 1 670 . 1 . 1 92 92 PHE CA C 13 57.365 0.3 . 1 . . . . . 94 PHE CA . 52227 1 671 . 1 . 1 92 92 PHE CB C 13 39.104 0.3 . 1 . . . . . 94 PHE CB . 52227 1 672 . 1 . 1 92 92 PHE CD1 C 13 131.910 0.3 . 3 . . . . . 94 PHE CD1 . 52227 1 673 . 1 . 1 92 92 PHE N N 15 119.828 0.2 . 1 . . . . . 94 PHE N . 52227 1 674 . 1 . 1 93 93 ALA H H 1 7.997 0.02 . 1 . . . . . 95 ALA HN . 52227 1 675 . 1 . 1 93 93 ALA HA H 1 4.086 0.02 . 1 . . . . . 95 ALA HA . 52227 1 676 . 1 . 1 93 93 ALA HB1 H 1 1.177 0.02 . 1 . . . . . 95 ALA HB1 . 52227 1 677 . 1 . 1 93 93 ALA HB2 H 1 1.177 0.02 . 1 . . . . . 95 ALA HB1 . 52227 1 678 . 1 . 1 93 93 ALA HB3 H 1 1.177 0.02 . 1 . . . . . 95 ALA HB1 . 52227 1 679 . 1 . 1 93 93 ALA CA C 13 52.526 0.3 . 1 . . . . . 95 ALA CA . 52227 1 680 . 1 . 1 93 93 ALA CB C 13 19.090 0.3 . 1 . . . . . 95 ALA CB . 52227 1 681 . 1 . 1 93 93 ALA N N 15 125.940 0.2 . 1 . . . . . 95 ALA N . 52227 1 682 . 1 . 1 94 94 GLY H H 1 7.697 0.02 . 1 . . . . . 96 GLY HN . 52227 1 683 . 1 . 1 94 94 GLY HA2 H 1 3.714 0.02 . 2 . . . . . 96 GLY HA1 . 52227 1 684 . 1 . 1 94 94 GLY HA3 H 1 3.714 0.02 . 2 . . . . . 96 GLY HA2 . 52227 1 685 . 1 . 1 94 94 GLY CA C 13 45.074 0.3 . 1 . . . . . 96 GLY CA . 52227 1 686 . 1 . 1 94 94 GLY N N 15 107.532 0.2 . 1 . . . . . 96 GLY N . 52227 1 687 . 1 . 1 95 95 ALA H H 1 7.936 0.02 . 1 . . . . . 97 ALA HN . 52227 1 688 . 1 . 1 95 95 ALA HA H 1 4.150 0.02 . 1 . . . . . 97 ALA HA . 52227 1 689 . 1 . 1 95 95 ALA HB1 H 1 1.229 0.02 . 1 . . . . . 97 ALA HB1 . 52227 1 690 . 1 . 1 95 95 ALA HB2 H 1 1.229 0.02 . 1 . . . . . 97 ALA HB1 . 52227 1 691 . 1 . 1 95 95 ALA HB3 H 1 1.229 0.02 . 1 . . . . . 97 ALA HB1 . 52227 1 692 . 1 . 1 95 95 ALA CA C 13 52.253 0.3 . 1 . . . . . 97 ALA CA . 52227 1 693 . 1 . 1 95 95 ALA CB C 13 19.300 0.3 . 1 . . . . . 97 ALA CB . 52227 1 694 . 1 . 1 95 95 ALA N N 15 123.367 0.2 . 1 . . . . . 97 ALA N . 52227 1 695 . 1 . 1 96 96 ALA H H 1 8.241 0.02 . 1 . . . . . 98 ALA HN . 52227 1 696 . 1 . 1 96 96 ALA HA H 1 4.176 0.02 . 1 . . . . . 98 ALA HA . 52227 1 697 . 1 . 1 96 96 ALA HB1 H 1 1.236 0.02 . 1 . . . . . 98 ALA HB1 . 52227 1 698 . 1 . 1 96 96 ALA HB2 H 1 1.236 0.02 . 1 . . . . . 98 ALA HB1 . 52227 1 699 . 1 . 1 96 96 ALA HB3 H 1 1.236 0.02 . 1 . . . . . 98 ALA HB1 . 52227 1 700 . 1 . 1 96 96 ALA CA C 13 52.400 0.3 . 1 . . . . . 98 ALA CA . 52227 1 701 . 1 . 1 96 96 ALA CB C 13 19.000 0.3 . 1 . . . . . 98 ALA CB . 52227 1 702 . 1 . 1 96 96 ALA N N 15 123.276 0.2 . 1 . . . . . 98 ALA N . 52227 1 703 . 1 . 1 97 97 THR H H 1 7.915 0.02 . 1 . . . . . 99 THR HN . 52227 1 704 . 1 . 1 97 97 THR HA H 1 4.230 0.02 . 1 . . . . . 99 THR HA . 52227 1 705 . 1 . 1 97 97 THR HB H 1 4.098 0.02 . 1 . . . . . 99 THR HB . 52227 1 706 . 1 . 1 97 97 THR HG21 H 1 1.055 0.02 . 1 . . . . . 99 THR HG21 . 52227 1 707 . 1 . 1 97 97 THR HG22 H 1 1.055 0.02 . 1 . . . . . 99 THR HG21 . 52227 1 708 . 1 . 1 97 97 THR HG23 H 1 1.055 0.02 . 1 . . . . . 99 THR HG21 . 52227 1 709 . 1 . 1 97 97 THR CA C 13 61.300 0.3 . 1 . . . . . 99 THR CA . 52227 1 710 . 1 . 1 97 97 THR CB C 13 69.948 0.3 . 1 . . . . . 99 THR CB . 52227 1 711 . 1 . 1 97 97 THR CG2 C 13 21.430 0.3 . 1 . . . . . 99 THR CG2 . 52227 1 712 . 1 . 1 97 97 THR N N 15 112.000 0.2 . 1 . . . . . 99 THR N . 52227 1 713 . 1 . 1 98 98 GLY H H 1 8.069 0.02 . 1 . . . . . 100 GLY HN . 52227 1 714 . 1 . 1 98 98 GLY HA2 H 1 3.932 0.02 . 2 . . . . . 100 GLY HA1 . 52227 1 715 . 1 . 1 98 98 GLY HA3 H 1 3.932 0.02 . 2 . . . . . 100 GLY HA2 . 52227 1 716 . 1 . 1 98 98 GLY CA C 13 44.528 0.3 . 1 . . . . . 100 GLY CA . 52227 1 717 . 1 . 1 98 98 GLY N N 15 110.721 0.2 . 1 . . . . . 100 GLY N . 52227 1 718 . 1 . 1 99 99 PRO HA H 1 4.215 0.02 . 1 . . . . . 101 PRO HA . 52227 1 719 . 1 . 1 99 99 PRO HB2 H 1 2.105 0.02 . 2 . . . . . 101 PRO HB1 . 52227 1 720 . 1 . 1 99 99 PRO HB3 H 1 1.786 0.02 . 2 . . . . . 101 PRO HB2 . 52227 1 721 . 1 . 1 99 99 PRO HG2 H 1 1.850 0.02 . 2 . . . . . 101 PRO HG1 . 52227 1 722 . 1 . 1 99 99 PRO HG3 H 1 1.850 0.02 . 2 . . . . . 101 PRO HG2 . 52227 1 723 . 1 . 1 99 99 PRO HD2 H 1 3.476 0.02 . 2 . . . . . 101 PRO HD1 . 52227 1 724 . 1 . 1 99 99 PRO HD3 H 1 3.437 0.02 . 2 . . . . . 101 PRO HD2 . 52227 1 725 . 1 . 1 99 99 PRO CA C 13 63.218 0.3 . 1 . . . . . 101 PRO CA . 52227 1 726 . 1 . 1 99 99 PRO CB C 13 31.955 0.3 . 1 . . . . . 101 PRO CB . 52227 1 727 . 1 . 1 99 99 PRO CG C 13 27.031 0.3 . 1 . . . . . 101 PRO CG . 52227 1 728 . 1 . 1 99 99 PRO CD C 13 49.646 0.3 . 1 . . . . . 101 PRO CD . 52227 1 729 . 1 . 1 100 100 ALA H H 1 8.235 0.02 . 1 . . . . . 102 ALA HN . 52227 1 730 . 1 . 1 100 100 ALA HA H 1 4.176 0.02 . 1 . . . . . 102 ALA HA . 52227 1 731 . 1 . 1 100 100 ALA HB1 H 1 1.234 0.02 . 1 . . . . . 102 ALA HB1 . 52227 1 732 . 1 . 1 100 100 ALA HB2 H 1 1.234 0.02 . 1 . . . . . 102 ALA HB1 . 52227 1 733 . 1 . 1 100 100 ALA HB3 H 1 1.234 0.02 . 1 . . . . . 102 ALA HB1 . 52227 1 734 . 1 . 1 100 100 ALA CA C 13 52.363 0.3 . 1 . . . . . 102 ALA CA . 52227 1 735 . 1 . 1 100 100 ALA CB C 13 19.052 0.3 . 1 . . . . . 102 ALA CB . 52227 1 736 . 1 . 1 100 100 ALA N N 15 123.616 0.2 . 1 . . . . . 102 ALA N . 52227 1 737 . 1 . 1 101 101 ALA HA H 1 4.085 0.02 . 1 . . . . . 103 ALA HA . 52227 1 738 . 1 . 1 101 101 ALA HB1 H 1 1.210 0.02 . 1 . . . . . 103 ALA HB1 . 52227 1 739 . 1 . 1 101 101 ALA HB2 H 1 1.210 0.02 . 1 . . . . . 103 ALA HB1 . 52227 1 740 . 1 . 1 101 101 ALA HB3 H 1 1.210 0.02 . 1 . . . . . 103 ALA HB1 . 52227 1 741 . 1 . 1 101 101 ALA CA C 13 52.400 0.3 . 1 . . . . . 103 ALA CA . 52227 1 742 . 1 . 1 101 101 ALA CB C 13 19.000 0.3 . 1 . . . . . 103 ALA CB . 52227 1 743 . 1 . 1 102 102 ALA H H 1 8.001 0.02 . 1 . . . . . 104 ALA HN . 52227 1 744 . 1 . 1 102 102 ALA HA H 1 4.082 0.02 . 1 . . . . . 104 ALA HA . 52227 1 745 . 1 . 1 102 102 ALA HB1 H 1 1.200 0.02 . 1 . . . . . 104 ALA HB1 . 52227 1 746 . 1 . 1 102 102 ALA HB2 H 1 1.200 0.02 . 1 . . . . . 104 ALA HB1 . 52227 1 747 . 1 . 1 102 102 ALA HB3 H 1 1.200 0.02 . 1 . . . . . 104 ALA HB1 . 52227 1 748 . 1 . 1 102 102 ALA CA C 13 52.300 0.3 . 1 . . . . . 104 ALA CA . 52227 1 749 . 1 . 1 102 102 ALA CB C 13 19.068 0.3 . 1 . . . . . 104 ALA CB . 52227 1 750 . 1 . 1 102 102 ALA N N 15 122.721 0.2 . 1 . . . . . 104 ALA N . 52227 1 751 . 1 . 1 103 103 ALA H H 1 7.970 0.02 . 1 . . . . . 105 ALA HN . 52227 1 752 . 1 . 1 103 103 ALA HA H 1 4.093 0.02 . 1 . . . . . 105 ALA HA . 52227 1 753 . 1 . 1 103 103 ALA HB1 H 1 1.172 0.02 . 1 . . . . . 105 ALA HB1 . 52227 1 754 . 1 . 1 103 103 ALA HB2 H 1 1.172 0.02 . 1 . . . . . 105 ALA HB1 . 52227 1 755 . 1 . 1 103 103 ALA HB3 H 1 1.172 0.02 . 1 . . . . . 105 ALA HB1 . 52227 1 756 . 1 . 1 103 103 ALA CA C 13 52.284 0.3 . 1 . . . . . 105 ALA CA . 52227 1 757 . 1 . 1 103 103 ALA CB C 13 19.155 0.3 . 1 . . . . . 105 ALA CB . 52227 1 758 . 1 . 1 103 103 ALA N N 15 122.496 0.2 . 1 . . . . . 105 ALA N . 52227 1 759 . 1 . 1 104 104 PHE H H 1 7.937 0.02 . 1 . . . . . 106 PHE HN . 52227 1 760 . 1 . 1 104 104 PHE HA H 1 4.420 0.02 . 1 . . . . . 106 PHE HA . 52227 1 761 . 1 . 1 104 104 PHE HB2 H 1 2.834 0.02 . 2 . . . . . 106 PHE HB1 . 52227 1 762 . 1 . 1 104 104 PHE HB3 H 1 2.888 0.02 . 2 . . . . . 106 PHE HB2 . 52227 1 763 . 1 . 1 104 104 PHE HD1 H 1 7.030 0.02 . 3 . . . . . 106 PHE HD1 . 52227 1 764 . 1 . 1 104 104 PHE CA C 13 57.359 0.3 . 1 . . . . . 106 PHE CA . 52227 1 765 . 1 . 1 104 104 PHE CB C 13 39.823 0.3 . 1 . . . . . 106 PHE CB . 52227 1 766 . 1 . 1 104 104 PHE CD1 C 13 131.780 0.3 . 3 . . . . . 106 PHE CD1 . 52227 1 767 . 1 . 1 104 104 PHE N N 15 119.156 0.2 . 1 . . . . . 106 PHE N . 52227 1 768 . 1 . 1 105 105 ASP H H 1 8.088 0.02 . 1 . . . . . 107 ASP HN . 52227 1 769 . 1 . 1 105 105 ASP HA H 1 4.691 0.02 . 1 . . . . . 107 ASP HA . 52227 1 770 . 1 . 1 105 105 ASP HB2 H 1 2.410 0.02 . 2 . . . . . 107 ASP HB1 . 52227 1 771 . 1 . 1 105 105 ASP HB3 H 1 2.527 0.02 . 2 . . . . . 107 ASP HB2 . 52227 1 772 . 1 . 1 105 105 ASP CA C 13 51.165 0.3 . 1 . . . . . 107 ASP CA . 52227 1 773 . 1 . 1 105 105 ASP CB C 13 41.255 0.3 . 1 . . . . . 107 ASP CB . 52227 1 774 . 1 . 1 105 105 ASP N N 15 123.748 0.2 . 1 . . . . . 107 ASP N . 52227 1 775 . 1 . 1 106 106 PRO HA H 1 4.017 0.02 . 1 . . . . . 108 PRO HA . 52227 1 776 . 1 . 1 106 106 PRO HB2 H 1 1.931 0.02 . 2 . . . . . 108 PRO HB1 . 52227 1 777 . 1 . 1 106 106 PRO HB3 H 1 1.290 0.02 . 2 . . . . . 108 PRO HB2 . 52227 1 778 . 1 . 1 106 106 PRO HG2 H 1 1.658 0.02 . 2 . . . . . 108 PRO HG1 . 52227 1 779 . 1 . 1 106 106 PRO HG3 H 1 1.431 0.02 . 2 . . . . . 108 PRO HG2 . 52227 1 780 . 1 . 1 106 106 PRO HD2 H 1 3.340 0.02 . 2 . . . . . 108 PRO HD1 . 52227 1 781 . 1 . 1 106 106 PRO HD3 H 1 3.505 0.02 . 2 . . . . . 108 PRO HD2 . 52227 1 782 . 1 . 1 106 106 PRO CA C 13 63.736 0.3 . 1 . . . . . 108 PRO CA . 52227 1 783 . 1 . 1 106 106 PRO CB C 13 31.683 0.3 . 1 . . . . . 108 PRO CB . 52227 1 784 . 1 . 1 106 106 PRO CG C 13 26.603 0.3 . 1 . . . . . 108 PRO CG . 52227 1 785 . 1 . 1 106 106 PRO CD C 13 50.585 0.3 . 1 . . . . . 108 PRO CD . 52227 1 786 . 1 . 1 107 107 PHE H H 1 8.032 0.02 . 1 . . . . . 109 PHE HN . 52227 1 787 . 1 . 1 107 107 PHE HA H 1 4.429 0.02 . 1 . . . . . 109 PHE HA . 52227 1 788 . 1 . 1 107 107 PHE HB2 H 1 2.749 0.02 . 2 . . . . . 109 PHE HB1 . 52227 1 789 . 1 . 1 107 107 PHE HB3 H 1 3.036 0.02 . 2 . . . . . 109 PHE HB2 . 52227 1 790 . 1 . 1 107 107 PHE HD1 H 1 7.110 0.02 . 3 . . . . . 109 PHE HD1 . 52227 1 791 . 1 . 1 107 107 PHE CA C 13 57.683 0.3 . 1 . . . . . 109 PHE CA . 52227 1 792 . 1 . 1 107 107 PHE CB C 13 38.626 0.3 . 1 . . . . . 109 PHE CB . 52227 1 793 . 1 . 1 107 107 PHE CD1 C 13 131.700 0.3 . 3 . . . . . 109 PHE CD1 . 52227 1 794 . 1 . 1 107 107 PHE N N 15 117.620 0.2 . 1 . . . . . 109 PHE N . 52227 1 795 . 1 . 1 108 108 GLY H H 1 7.734 0.02 . 1 . . . . . 110 GLY HN . 52227 1 796 . 1 . 1 108 108 GLY HA2 H 1 3.672 0.02 . 2 . . . . . 110 GLY HA1 . 52227 1 797 . 1 . 1 108 108 GLY HA3 H 1 3.672 0.02 . 2 . . . . . 110 GLY HA2 . 52227 1 798 . 1 . 1 108 108 GLY CA C 13 45.640 0.3 . 1 . . . . . 110 GLY CA . 52227 1 799 . 1 . 1 108 108 GLY N N 15 108.659 0.2 . 1 . . . . . 110 GLY N . 52227 1 800 . 1 . 1 109 109 PHE H H 1 7.967 0.02 . 1 . . . . . 111 PHE HN . 52227 1 801 . 1 . 1 109 109 PHE HA H 1 4.393 0.02 . 1 . . . . . 111 PHE HA . 52227 1 802 . 1 . 1 109 109 PHE HB2 H 1 2.866 0.02 . 2 . . . . . 111 PHE HB1 . 52227 1 803 . 1 . 1 109 109 PHE HB3 H 1 2.866 0.02 . 2 . . . . . 111 PHE HB2 . 52227 1 804 . 1 . 1 109 109 PHE HD1 H 1 7.030 0.02 . 3 . . . . . 111 PHE HD1 . 52227 1 805 . 1 . 1 109 109 PHE CA C 13 57.958 0.3 . 1 . . . . . 111 PHE CA . 52227 1 806 . 1 . 1 109 109 PHE CB C 13 39.341 0.3 . 1 . . . . . 111 PHE CB . 52227 1 807 . 1 . 1 109 109 PHE CD1 C 13 131.700 0.3 . 3 . . . . . 111 PHE CD1 . 52227 1 808 . 1 . 1 109 109 PHE N N 15 120.100 0.2 . 1 . . . . . 111 PHE N . 52227 1 809 . 1 . 1 110 110 VAL H H 1 7.885 0.02 . 1 . . . . . 112 VAL HN . 52227 1 810 . 1 . 1 110 110 VAL HA H 1 3.792 0.02 . 1 . . . . . 112 VAL HA . 52227 1 811 . 1 . 1 110 110 VAL HB H 1 1.701 0.02 . 1 . . . . . 112 VAL HB . 52227 1 812 . 1 . 1 110 110 VAL HG11 H 1 0.580 0.02 . 2 . . . . . 112 VAL HG11 . 52227 1 813 . 1 . 1 110 110 VAL HG12 H 1 0.580 0.02 . 2 . . . . . 112 VAL HG11 . 52227 1 814 . 1 . 1 110 110 VAL HG13 H 1 0.580 0.02 . 2 . . . . . 112 VAL HG11 . 52227 1 815 . 1 . 1 110 110 VAL HG21 H 1 0.660 0.02 . 2 . . . . . 112 VAL HG21 . 52227 1 816 . 1 . 1 110 110 VAL HG22 H 1 0.660 0.02 . 2 . . . . . 112 VAL HG21 . 52227 1 817 . 1 . 1 110 110 VAL HG23 H 1 0.660 0.02 . 2 . . . . . 112 VAL HG21 . 52227 1 818 . 1 . 1 110 110 VAL CA C 13 62.522 0.3 . 1 . . . . . 112 VAL CA . 52227 1 819 . 1 . 1 110 110 VAL CB C 13 32.701 0.3 . 1 . . . . . 112 VAL CB . 52227 1 820 . 1 . 1 110 110 VAL CG1 C 13 20.900 0.3 . 1 . . . . . 112 VAL CG1 . 52227 1 821 . 1 . 1 110 110 VAL CG2 C 13 20.800 0.3 . 1 . . . . . 112 VAL CG2 . 52227 1 822 . 1 . 1 110 110 VAL N N 15 122.074 0.2 . 1 . . . . . 112 VAL N . 52227 1 823 . 1 . 1 111 111 PHE H H 1 8.111 0.02 . 1 . . . . . 113 PHE HN . 52227 1 824 . 1 . 1 111 111 PHE HA H 1 4.358 0.02 . 1 . . . . . 113 PHE HA . 52227 1 825 . 1 . 1 111 111 PHE HB2 H 1 2.988 0.02 . 2 . . . . . 113 PHE HB1 . 52227 1 826 . 1 . 1 111 111 PHE HB3 H 1 2.854 0.02 . 2 . . . . . 113 PHE HB2 . 52227 1 827 . 1 . 1 111 111 PHE HD1 H 1 7.114 0.02 . 3 . . . . . 113 PHE HD1 . 52227 1 828 . 1 . 1 111 111 PHE CA C 13 58.153 0.3 . 1 . . . . . 113 PHE CA . 52227 1 829 . 1 . 1 111 111 PHE CB C 13 39.360 0.3 . 1 . . . . . 113 PHE CB . 52227 1 830 . 1 . 1 111 111 PHE CD1 C 13 131.794 0.3 . 3 . . . . . 113 PHE CD1 . 52227 1 831 . 1 . 1 111 111 PHE N N 15 123.270 0.2 . 1 . . . . . 113 PHE N . 52227 1 832 . 1 . 1 112 112 GLY H H 1 8.077 0.02 . 1 . . . . . 114 GLY HN . 52227 1 833 . 1 . 1 112 112 GLY HA2 H 1 3.682 0.02 . 2 . . . . . 114 GLY HA2 . 52227 1 834 . 1 . 1 112 112 GLY CA C 13 45.119 0.3 . 1 . . . . . 114 GLY CA . 52227 1 835 . 1 . 1 112 112 GLY N N 15 110.428 0.2 . 1 . . . . . 114 GLY N . 52227 1 836 . 1 . 1 113 113 ARG H H 1 7.886 0.02 . 1 . . . . . 115 ARG HN . 52227 1 837 . 1 . 1 113 113 ARG HA H 1 4.172 0.02 . 1 . . . . . 115 ARG HA . 52227 1 838 . 1 . 1 113 113 ARG HB2 H 1 1.704 0.02 . 2 . . . . . 115 ARG HB1 . 52227 1 839 . 1 . 1 113 113 ARG HB3 H 1 1.582 0.02 . 2 . . . . . 115 ARG HB2 . 52227 1 840 . 1 . 1 113 113 ARG HG2 H 1 1.430 0.02 . 2 . . . . . 115 ARG HG1 . 52227 1 841 . 1 . 1 113 113 ARG HG3 H 1 1.445 0.02 . 2 . . . . . 115 ARG HG2 . 52227 1 842 . 1 . 1 113 113 ARG HD2 H 1 3.002 0.02 . 2 . . . . . 115 ARG HD1 . 52227 1 843 . 1 . 1 113 113 ARG HD3 H 1 3.002 0.02 . 2 . . . . . 115 ARG HD2 . 52227 1 844 . 1 . 1 113 113 ARG HE H 1 7.056 0.02 . 1 . . . . . 115 ARG HE . 52227 1 845 . 1 . 1 113 113 ARG CA C 13 56.048 0.3 . 1 . . . . . 115 ARG CA . 52227 1 846 . 1 . 1 113 113 ARG CB C 13 30.799 0.3 . 1 . . . . . 115 ARG CB . 52227 1 847 . 1 . 1 113 113 ARG CG C 13 26.841 0.3 . 1 . . . . . 115 ARG CG . 52227 1 848 . 1 . 1 113 113 ARG CD C 13 43.300 0.3 . 1 . . . . . 115 ARG CD . 52227 1 849 . 1 . 1 113 113 ARG N N 15 120.762 0.2 . 1 . . . . . 115 ARG N . 52227 1 850 . 1 . 1 113 113 ARG NE N 15 84.600 0.2 . 1 . . . . . 115 ARG NE . 52227 1 851 . 1 . 1 114 114 ARG H H 1 7.931 0.02 . 1 . . . . . 116 ARG HN . 52227 1 852 . 1 . 1 114 114 ARG HA H 1 4.024 0.02 . 1 . . . . . 116 ARG HA . 52227 1 853 . 1 . 1 114 114 ARG HB2 H 1 1.675 0.02 . 2 . . . . . 116 ARG HB1 . 52227 1 854 . 1 . 1 114 114 ARG HB3 H 1 1.539 0.02 . 2 . . . . . 116 ARG HB2 . 52227 1 855 . 1 . 1 114 114 ARG HG2 H 1 1.420 0.02 . 2 . . . . . 116 ARG HG1 . 52227 1 856 . 1 . 1 114 114 ARG HG3 H 1 1.420 0.02 . 2 . . . . . 116 ARG HG2 . 52227 1 857 . 1 . 1 114 114 ARG HD2 H 1 2.980 0.02 . 2 . . . . . 116 ARG HD1 . 52227 1 858 . 1 . 1 114 114 ARG HD3 H 1 2.980 0.02 . 2 . . . . . 116 ARG HD2 . 52227 1 859 . 1 . 1 114 114 ARG HE H 1 7.000 0.02 . 1 . . . . . 116 ARG HE . 52227 1 860 . 1 . 1 114 114 ARG CA C 13 57.300 0.3 . 1 . . . . . 116 ARG CA . 52227 1 861 . 1 . 1 114 114 ARG CB C 13 31.417 0.3 . 1 . . . . . 116 ARG CB . 52227 1 862 . 1 . 1 114 114 ARG CG C 13 26.948 0.3 . 1 . . . . . 116 ARG CG . 52227 1 863 . 1 . 1 114 114 ARG CD C 13 43.310 0.3 . 1 . . . . . 116 ARG CD . 52227 1 864 . 1 . 1 114 114 ARG N N 15 127.876 0.2 . 1 . . . . . 116 ARG N . 52227 1 865 . 1 . 1 114 114 ARG NE N 15 84.900 0.2 . 1 . . . . . 116 ARG NE . 52227 1 stop_ save_