data_30370 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30370 _Entry.Title ; Solution NMR structure of uncharacterized protein YejG representing the first structure from PF13989 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-11-01 _Entry.Accession_date 2017-11-28 _Entry.Last_release_date 2017-11-28 _Entry.Original_release_date 2017-11-28 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _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 B. Mohanty B. . . . 30370 2 T. Finn T. J. . . 30370 3 I. Macindoe I. . . . 30370 4 J. Zhong J. . . . 30370 5 W. Patrick W. M. . . 30370 6 J. Mackay J. P. . . 30370 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID PF13989 . 30370 'UNKNOWN FUNCTION' . 30370 YejG . 30370 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30370 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 439 30370 '15N chemical shifts' 106 30370 '1H chemical shifts' 689 30370 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 . . 2019-07-08 2017-11-01 update BMRB 'update entry citation' 30370 1 . . 2018-10-31 2017-11-01 original author 'original release' 30370 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6BI6 'BMRB Entry Tracking System' 30370 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30370 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1002/prot.25687 _Citation.PubMed_ID 30958578 _Citation.Full_citation . _Citation.Title ; The uncharacterized bacterial protein YejG has the same architecture as domain III of elongation factor G. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full Proteins _Citation.Journal_volume 87 _Citation.Journal_issue 8 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1097-0134 _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 699 _Citation.Page_last 705 _Citation.Year 2019 _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 Biswaranjan Mohanty B. . . . 30370 1 2 Paulina Hanson-Manful P. . . . 30370 1 3 Thomas Finn T. J. . . 30370 1 4 Cecilia Chambers C. R. . . 30370 1 5 James McKellar . . . . 30370 1 6 Ingrid Macindoe I. . . . 30370 1 7 Stephanie Helder S. . . . 30370 1 8 Surya Setiyaputra S. . . . 30370 1 9 Yichen Zhong Y. . . . 30370 1 10 Joel Mackay J. P. . . 30370 1 11 Wayne Patrick W. M. . . 30370 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30370 _Assembly.ID 1 _Assembly.Name 'Uncharacterized protein YejG' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 30370 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30370 _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 A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPTSLQLSIVHRLPQNYRWS AGFAGSKVEPIPQNGPCGDN SLVALKLLSPDGDNAWSVMY KLSQALSDIEVPCSVLECEG EPCLFVNRQDEFAATCRLKN FGVAIAEPFSNYNPF ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 115 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12557.149 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 30370 1 2 . PRO . 30370 1 3 . THR . 30370 1 4 . SER . 30370 1 5 . LEU . 30370 1 6 . GLN . 30370 1 7 . LEU . 30370 1 8 . SER . 30370 1 9 . ILE . 30370 1 10 . VAL . 30370 1 11 . HIS . 30370 1 12 . ARG . 30370 1 13 . LEU . 30370 1 14 . PRO . 30370 1 15 . GLN . 30370 1 16 . ASN . 30370 1 17 . TYR . 30370 1 18 . ARG . 30370 1 19 . TRP . 30370 1 20 . SER . 30370 1 21 . ALA . 30370 1 22 . GLY . 30370 1 23 . PHE . 30370 1 24 . ALA . 30370 1 25 . GLY . 30370 1 26 . SER . 30370 1 27 . LYS . 30370 1 28 . VAL . 30370 1 29 . GLU . 30370 1 30 . PRO . 30370 1 31 . ILE . 30370 1 32 . PRO . 30370 1 33 . GLN . 30370 1 34 . ASN . 30370 1 35 . GLY . 30370 1 36 . PRO . 30370 1 37 . CYS . 30370 1 38 . GLY . 30370 1 39 . ASP . 30370 1 40 . ASN . 30370 1 41 . SER . 30370 1 42 . LEU . 30370 1 43 . VAL . 30370 1 44 . ALA . 30370 1 45 . LEU . 30370 1 46 . LYS . 30370 1 47 . LEU . 30370 1 48 . LEU . 30370 1 49 . SER . 30370 1 50 . PRO . 30370 1 51 . ASP . 30370 1 52 . GLY . 30370 1 53 . ASP . 30370 1 54 . ASN . 30370 1 55 . ALA . 30370 1 56 . TRP . 30370 1 57 . SER . 30370 1 58 . VAL . 30370 1 59 . MET . 30370 1 60 . TYR . 30370 1 61 . LYS . 30370 1 62 . LEU . 30370 1 63 . SER . 30370 1 64 . GLN . 30370 1 65 . ALA . 30370 1 66 . LEU . 30370 1 67 . SER . 30370 1 68 . ASP . 30370 1 69 . ILE . 30370 1 70 . GLU . 30370 1 71 . VAL . 30370 1 72 . PRO . 30370 1 73 . CYS . 30370 1 74 . SER . 30370 1 75 . VAL . 30370 1 76 . LEU . 30370 1 77 . GLU . 30370 1 78 . CYS . 30370 1 79 . GLU . 30370 1 80 . GLY . 30370 1 81 . GLU . 30370 1 82 . PRO . 30370 1 83 . CYS . 30370 1 84 . LEU . 30370 1 85 . PHE . 30370 1 86 . VAL . 30370 1 87 . ASN . 30370 1 88 . ARG . 30370 1 89 . GLN . 30370 1 90 . ASP . 30370 1 91 . GLU . 30370 1 92 . PHE . 30370 1 93 . ALA . 30370 1 94 . ALA . 30370 1 95 . THR . 30370 1 96 . CYS . 30370 1 97 . ARG . 30370 1 98 . LEU . 30370 1 99 . LYS . 30370 1 100 . ASN . 30370 1 101 . PHE . 30370 1 102 . GLY . 30370 1 103 . VAL . 30370 1 104 . ALA . 30370 1 105 . ILE . 30370 1 106 . ALA . 30370 1 107 . GLU . 30370 1 108 . PRO . 30370 1 109 . PHE . 30370 1 110 . SER . 30370 1 111 . ASN . 30370 1 112 . TYR . 30370 1 113 . ASN . 30370 1 114 . PRO . 30370 1 115 . PHE . 30370 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 30370 1 . PRO 2 2 30370 1 . THR 3 3 30370 1 . SER 4 4 30370 1 . LEU 5 5 30370 1 . GLN 6 6 30370 1 . LEU 7 7 30370 1 . SER 8 8 30370 1 . ILE 9 9 30370 1 . VAL 10 10 30370 1 . HIS 11 11 30370 1 . ARG 12 12 30370 1 . LEU 13 13 30370 1 . PRO 14 14 30370 1 . GLN 15 15 30370 1 . ASN 16 16 30370 1 . TYR 17 17 30370 1 . ARG 18 18 30370 1 . TRP 19 19 30370 1 . SER 20 20 30370 1 . ALA 21 21 30370 1 . GLY 22 22 30370 1 . PHE 23 23 30370 1 . ALA 24 24 30370 1 . GLY 25 25 30370 1 . SER 26 26 30370 1 . LYS 27 27 30370 1 . VAL 28 28 30370 1 . GLU 29 29 30370 1 . PRO 30 30 30370 1 . ILE 31 31 30370 1 . PRO 32 32 30370 1 . GLN 33 33 30370 1 . ASN 34 34 30370 1 . GLY 35 35 30370 1 . PRO 36 36 30370 1 . CYS 37 37 30370 1 . GLY 38 38 30370 1 . ASP 39 39 30370 1 . ASN 40 40 30370 1 . SER 41 41 30370 1 . LEU 42 42 30370 1 . VAL 43 43 30370 1 . ALA 44 44 30370 1 . LEU 45 45 30370 1 . LYS 46 46 30370 1 . LEU 47 47 30370 1 . LEU 48 48 30370 1 . SER 49 49 30370 1 . PRO 50 50 30370 1 . ASP 51 51 30370 1 . GLY 52 52 30370 1 . ASP 53 53 30370 1 . ASN 54 54 30370 1 . ALA 55 55 30370 1 . TRP 56 56 30370 1 . SER 57 57 30370 1 . VAL 58 58 30370 1 . MET 59 59 30370 1 . TYR 60 60 30370 1 . LYS 61 61 30370 1 . LEU 62 62 30370 1 . SER 63 63 30370 1 . GLN 64 64 30370 1 . ALA 65 65 30370 1 . LEU 66 66 30370 1 . SER 67 67 30370 1 . ASP 68 68 30370 1 . ILE 69 69 30370 1 . GLU 70 70 30370 1 . VAL 71 71 30370 1 . PRO 72 72 30370 1 . CYS 73 73 30370 1 . SER 74 74 30370 1 . VAL 75 75 30370 1 . LEU 76 76 30370 1 . GLU 77 77 30370 1 . CYS 78 78 30370 1 . GLU 79 79 30370 1 . GLY 80 80 30370 1 . GLU 81 81 30370 1 . PRO 82 82 30370 1 . CYS 83 83 30370 1 . LEU 84 84 30370 1 . PHE 85 85 30370 1 . VAL 86 86 30370 1 . ASN 87 87 30370 1 . ARG 88 88 30370 1 . GLN 89 89 30370 1 . ASP 90 90 30370 1 . GLU 91 91 30370 1 . PHE 92 92 30370 1 . ALA 93 93 30370 1 . ALA 94 94 30370 1 . THR 95 95 30370 1 . CYS 96 96 30370 1 . ARG 97 97 30370 1 . LEU 98 98 30370 1 . LYS 99 99 30370 1 . ASN 100 100 30370 1 . PHE 101 101 30370 1 . GLY 102 102 30370 1 . VAL 103 103 30370 1 . ALA 104 104 30370 1 . ILE 105 105 30370 1 . ALA 106 106 30370 1 . GLU 107 107 30370 1 . PRO 108 108 30370 1 . PHE 109 109 30370 1 . SER 110 110 30370 1 . ASN 111 111 30370 1 . TYR 112 112 30370 1 . ASN 113 113 30370 1 . PRO 114 114 30370 1 . PHE 115 115 30370 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 30370 _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 . 562 organism . 'Escherichia coli (strain K12)' 'Escherichia coli' . . Bacteria . Escherichia coli K12 . . . . . . . . . . 'yejG, b2181, JW2169' . 30370 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 30370 _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' . 'For production of GST-tagged YejG' . Escherichia coli . . . Plasmid . . pGEX-6p . . . 30370 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30370 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '600 uM [U-13C,15N] YejG, 20 mM Bi-tris, 50 mM NaCl, 1 mM TCEP, 0.2 mM PMSF, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Bi-tris 'natural abundance' . . . . . . 20 . . mM . . . . 30370 1 2 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 30370 1 3 PMSF 'natural abundance' . . . . . . 0.2 . . mM . . . . 30370 1 4 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 30370 1 5 YejG '[U-13C; U-15N]' . . 1 $entity_1 . . 600 . . uM . . . . 30370 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 30370 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 30370 1 pH 6.5 . pH 30370 1 pressure 1 . atm 30370 1 temperature 298 . K 30370 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30370 _Software.ID 1 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 30370 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30370 1 'peak picking' 30370 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30370 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 30370 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 30370 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30370 _Software.ID 3 _Software.Type . _Software.Name OPALp _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Guntert' . . 30370 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30370 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30370 _Software.ID 4 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 30370 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 30370 4 processing 30370 4 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 30370 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 30370 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 30370 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'Avance III' . 600 . . . 30370 1 2 NMR_spectrometer_2 Bruker 'Avance III' . 800 . . . 30370 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 30370 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D [15N,1H]-HSQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30370 1 2 '3D 15N-resolved [1H,1H]-NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30370 1 3 '3D 13Cali-resolved [1H,1H]-NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30370 1 4 '3D 13Caro-resolved [1H,1H]-NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30370 1 5 '2D [13Cali,1H]-HSQC (multiplicity edited)' no . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30370 1 6 '2D [13Caro,1H]-HSQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30370 1 7 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30370 1 8 '3D NUS HNCA' no . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30370 1 9 '3D NUS HNCACB' no . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30370 1 10 '3D NUS CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30370 1 11 '3D NUS HN(CA)CO' no . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30370 1 12 '3D NUS HNCO' no . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30370 1 13 '3D NUS HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30370 1 14 '3D NUS HNHA' no . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30370 1 15 '3D NUS (H)CC(CO)NH' no . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30370 1 16 15N{1H}-NOE no . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30370 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 30370 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 30370 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30370 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30370 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 30370 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.25 _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 [15N,1H]-HSQC' . . . 30370 1 2 '3D 15N-resolved [1H,1H]-NOESY' . . . 30370 1 3 '3D 13Cali-resolved [1H,1H]-NOESY' . . . 30370 1 4 '3D 13Caro-resolved [1H,1H]-NOESY' . . . 30370 1 5 '2D [13Cali,1H]-HSQC (multiplicity edited)' . . . 30370 1 6 '2D [13Caro,1H]-HSQC' . . . 30370 1 7 '2D 1H-1H NOESY' . . . 30370 1 8 '3D NUS HNCA' . . . 30370 1 9 '3D NUS HNCACB' . . . 30370 1 10 '3D NUS CBCA(CO)NH' . . . 30370 1 11 '3D NUS HN(CA)CO' . . . 30370 1 12 '3D NUS HNCO' . . . 30370 1 13 '3D NUS HBHA(CO)NH' . . . 30370 1 14 '3D NUS HNHA' . . . 30370 1 15 '3D NUS (H)CC(CO)NH' . . . 30370 1 16 15N{1H}-NOE . . . 30370 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 2 2 PRO HA H 1 4.481 0.02 . 1 . . . . A 1 PRO HA . 30370 1 2 . 1 1 2 2 PRO HB2 H 1 1.887 0.02 . 2 . . . . A 1 PRO HB2 . 30370 1 3 . 1 1 2 2 PRO HB3 H 1 2.236 0.02 . 2 . . . . A 1 PRO HB3 . 30370 1 4 . 1 1 2 2 PRO HG2 H 1 1.757 0.02 . 2 . . . . A 1 PRO HG2 . 30370 1 5 . 1 1 2 2 PRO HG3 H 1 1.929 0.02 . 2 . . . . A 1 PRO HG3 . 30370 1 6 . 1 1 2 2 PRO C C 13 178.134 0.3 . 1 . . . . A 1 PRO C . 30370 1 7 . 1 1 2 2 PRO CA C 13 63.038 0.3 . 1 . . . . A 1 PRO CA . 30370 1 8 . 1 1 2 2 PRO CB C 13 32.231 0.3 . 1 . . . . A 1 PRO CB . 30370 1 9 . 1 1 2 2 PRO CG C 13 27.099 0.3 . 1 . . . . A 1 PRO CG . 30370 1 10 . 1 1 2 2 PRO CD C 13 49.7 0.3 . 1 . . . . A 1 PRO CD . 30370 1 11 . 1 1 3 3 THR H H 1 8.298 0.02 . 1 . . . . A 2 THR H . 30370 1 12 . 1 1 3 3 THR HA H 1 4.297 0.02 . 1 . . . . A 2 THR HA . 30370 1 13 . 1 1 3 3 THR HB H 1 4.194 0.02 . 1 . . . . A 2 THR HB . 30370 1 14 . 1 1 3 3 THR HG21 H 1 1.14 0.02 . 1 . . . . A 2 THR HG21 . 30370 1 15 . 1 1 3 3 THR HG22 H 1 1.14 0.02 . 1 . . . . A 2 THR HG22 . 30370 1 16 . 1 1 3 3 THR HG23 H 1 1.14 0.02 . 1 . . . . A 2 THR HG23 . 30370 1 17 . 1 1 3 3 THR C C 13 175.491 0.3 . 1 . . . . A 2 THR C . 30370 1 18 . 1 1 3 3 THR CA C 13 61.718 0.3 . 1 . . . . A 2 THR CA . 30370 1 19 . 1 1 3 3 THR CB C 13 69.716 0.3 . 1 . . . . A 2 THR CB . 30370 1 20 . 1 1 3 3 THR CG2 C 13 21.621 0.3 . 1 . . . . A 2 THR CG2 . 30370 1 21 . 1 1 3 3 THR N N 15 113.255 0.25 . 1 . . . . A 2 THR N . 30370 1 22 . 1 1 4 4 SER H H 1 8.186 0.02 . 1 . . . . A 3 SER H . 30370 1 23 . 1 1 4 4 SER HA H 1 4.341 0.02 . 1 . . . . A 3 SER HA . 30370 1 24 . 1 1 4 4 SER HB2 H 1 3.774 0.02 . 2 . . . . A 3 SER HB2 . 30370 1 25 . 1 1 4 4 SER HB3 H 1 3.774 0.02 . 2 . . . . A 3 SER HB3 . 30370 1 26 . 1 1 4 4 SER C C 13 175.689 0.3 . 1 . . . . A 3 SER C . 30370 1 27 . 1 1 4 4 SER CA C 13 58.426 0.3 . 1 . . . . A 3 SER CA . 30370 1 28 . 1 1 4 4 SER CB C 13 63.464 0.3 . 1 . . . . A 3 SER CB . 30370 1 29 . 1 1 4 4 SER N N 15 116.729 0.25 . 1 . . . . A 3 SER N . 30370 1 30 . 1 1 5 5 LEU H H 1 8.209 0.02 . 1 . . . . A 4 LEU H . 30370 1 31 . 1 1 5 5 LEU HA H 1 4.17 0.02 . 1 . . . . A 4 LEU HA . 30370 1 32 . 1 1 5 5 LEU HB2 H 1 1.536 0.02 . 2 . . . . A 4 LEU HB2 . 30370 1 33 . 1 1 5 5 LEU HB3 H 1 1.458 0.02 . 2 . . . . A 4 LEU HB3 . 30370 1 34 . 1 1 5 5 LEU HG H 1 1.527 0.02 . 1 . . . . A 4 LEU HG . 30370 1 35 . 1 1 5 5 LEU HD11 H 1 0.647 0.02 . 2 . . . . A 4 LEU HD11 . 30370 1 36 . 1 1 5 5 LEU HD12 H 1 0.647 0.02 . 2 . . . . A 4 LEU HD12 . 30370 1 37 . 1 1 5 5 LEU HD13 H 1 0.647 0.02 . 2 . . . . A 4 LEU HD13 . 30370 1 38 . 1 1 5 5 LEU HD21 H 1 0.742 0.02 . 2 . . . . A 4 LEU HD21 . 30370 1 39 . 1 1 5 5 LEU HD22 H 1 0.742 0.02 . 2 . . . . A 4 LEU HD22 . 30370 1 40 . 1 1 5 5 LEU HD23 H 1 0.742 0.02 . 2 . . . . A 4 LEU HD23 . 30370 1 41 . 1 1 5 5 LEU C C 13 178.262 0.3 . 1 . . . . A 4 LEU C . 30370 1 42 . 1 1 5 5 LEU CA C 13 55.748 0.3 . 1 . . . . A 4 LEU CA . 30370 1 43 . 1 1 5 5 LEU CB C 13 42.292 0.3 . 1 . . . . A 4 LEU CB . 30370 1 44 . 1 1 5 5 LEU CG C 13 27.24 0.3 . 1 . . . . A 4 LEU CG . 30370 1 45 . 1 1 5 5 LEU CD1 C 13 25.076 0.3 . 2 . . . . A 4 LEU CD1 . 30370 1 46 . 1 1 5 5 LEU CD2 C 13 23.717 0.3 . 2 . . . . A 4 LEU CD2 . 30370 1 47 . 1 1 5 5 LEU N N 15 123.216 0.25 . 1 . . . . A 4 LEU N . 30370 1 48 . 1 1 6 6 GLN H H 1 8.122 0.02 . 1 . . . . A 5 GLN H . 30370 1 49 . 1 1 6 6 GLN HA H 1 4.212 0.02 . 1 . . . . A 5 GLN HA . 30370 1 50 . 1 1 6 6 GLN HB2 H 1 1.983 0.02 . 2 . . . . A 5 GLN HB2 . 30370 1 51 . 1 1 6 6 GLN HB3 H 1 1.92 0.02 . 2 . . . . A 5 GLN HB3 . 30370 1 52 . 1 1 6 6 GLN HG2 H 1 2.27 0.02 . 2 . . . . A 5 GLN HG2 . 30370 1 53 . 1 1 6 6 GLN HG3 H 1 2.27 0.02 . 2 . . . . A 5 GLN HG3 . 30370 1 54 . 1 1 6 6 GLN HE21 H 1 7.529 0.02 . 2 . . . . A 5 GLN HE21 . 30370 1 55 . 1 1 6 6 GLN C C 13 176.515 0.3 . 1 . . . . A 5 GLN C . 30370 1 56 . 1 1 6 6 GLN CA C 13 56.089 0.3 . 1 . . . . A 5 GLN CA . 30370 1 57 . 1 1 6 6 GLN CB C 13 28.954 0.3 . 1 . . . . A 5 GLN CB . 30370 1 58 . 1 1 6 6 GLN CG C 13 34.096 0.3 . 1 . . . . A 5 GLN CG . 30370 1 59 . 1 1 6 6 GLN N N 15 119.279 0.25 . 1 . . . . A 5 GLN N . 30370 1 60 . 1 1 7 7 LEU H H 1 7.916 0.02 . 1 . . . . A 6 LEU H . 30370 1 61 . 1 1 7 7 LEU HA H 1 4.34 0.02 . 1 . . . . A 6 LEU HA . 30370 1 62 . 1 1 7 7 LEU HB2 H 1 1.519 0.02 . 2 . . . . A 6 LEU HB2 . 30370 1 63 . 1 1 7 7 LEU HB3 H 1 1.519 0.02 . 2 . . . . A 6 LEU HB3 . 30370 1 64 . 1 1 7 7 LEU HG H 1 1.482 0.02 . 1 . . . . A 6 LEU HG . 30370 1 65 . 1 1 7 7 LEU HD11 H 1 0.745 0.02 . 2 . . . . A 6 LEU HD11 . 30370 1 66 . 1 1 7 7 LEU HD12 H 1 0.745 0.02 . 2 . . . . A 6 LEU HD12 . 30370 1 67 . 1 1 7 7 LEU HD13 H 1 0.745 0.02 . 2 . . . . A 6 LEU HD13 . 30370 1 68 . 1 1 7 7 LEU HD21 H 1 0.799 0.02 . 2 . . . . A 6 LEU HD21 . 30370 1 69 . 1 1 7 7 LEU HD22 H 1 0.799 0.02 . 2 . . . . A 6 LEU HD22 . 30370 1 70 . 1 1 7 7 LEU HD23 H 1 0.799 0.02 . 2 . . . . A 6 LEU HD23 . 30370 1 71 . 1 1 7 7 LEU C C 13 178.069 0.3 . 1 . . . . A 6 LEU C . 30370 1 72 . 1 1 7 7 LEU CA C 13 54.897 0.3 . 1 . . . . A 6 LEU CA . 30370 1 73 . 1 1 7 7 LEU CB C 13 42.38 0.3 . 1 . . . . A 6 LEU CB . 30370 1 74 . 1 1 7 7 LEU CG C 13 27.316 0.3 . 1 . . . . A 6 LEU CG . 30370 1 75 . 1 1 7 7 LEU CD1 C 13 23.449 0.3 . 2 . . . . A 6 LEU CD1 . 30370 1 76 . 1 1 7 7 LEU CD2 C 13 25.074 0.3 . 2 . . . . A 6 LEU CD2 . 30370 1 77 . 1 1 7 7 LEU N N 15 121.278 0.25 . 1 . . . . A 6 LEU N . 30370 1 78 . 1 1 8 8 SER H H 1 8.041 0.02 . 1 . . . . A 7 SER H . 30370 1 79 . 1 1 8 8 SER HA H 1 4.881 0.02 . 1 . . . . A 7 SER HA . 30370 1 80 . 1 1 8 8 SER HB2 H 1 3.629 0.02 . 2 . . . . A 7 SER HB2 . 30370 1 81 . 1 1 8 8 SER HB3 H 1 3.805 0.02 . 2 . . . . A 7 SER HB3 . 30370 1 82 . 1 1 8 8 SER C C 13 178.508 0.3 . 1 . . . . A 7 SER C . 30370 1 83 . 1 1 8 8 SER CA C 13 58.221 0.3 . 1 . . . . A 7 SER CA . 30370 1 84 . 1 1 8 8 SER CB C 13 64.611 0.3 . 1 . . . . A 7 SER CB . 30370 1 85 . 1 1 8 8 SER N N 15 117.668 0.25 . 1 . . . . A 7 SER N . 30370 1 86 . 1 1 9 9 ILE H H 1 8.597 0.02 . 1 . . . . A 8 ILE H . 30370 1 87 . 1 1 9 9 ILE HA H 1 4.872 0.02 . 1 . . . . A 8 ILE HA . 30370 1 88 . 1 1 9 9 ILE HB H 1 1.415 0.02 . 1 . . . . A 8 ILE HB . 30370 1 89 . 1 1 9 9 ILE HG21 H 1 0.69 0.02 . 1 . . . . A 8 ILE HG21 . 30370 1 90 . 1 1 9 9 ILE HG22 H 1 0.69 0.02 . 1 . . . . A 8 ILE HG22 . 30370 1 91 . 1 1 9 9 ILE HG23 H 1 0.69 0.02 . 1 . . . . A 8 ILE HG23 . 30370 1 92 . 1 1 9 9 ILE HD11 H 1 0.689 0.02 . 1 . . . . A 8 ILE HD11 . 30370 1 93 . 1 1 9 9 ILE HD12 H 1 0.689 0.02 . 1 . . . . A 8 ILE HD12 . 30370 1 94 . 1 1 9 9 ILE HD13 H 1 0.689 0.02 . 1 . . . . A 8 ILE HD13 . 30370 1 95 . 1 1 9 9 ILE C C 13 176.351 0.3 . 1 . . . . A 8 ILE C . 30370 1 96 . 1 1 9 9 ILE CA C 13 60.377 0.3 . 1 . . . . A 8 ILE CA . 30370 1 97 . 1 1 9 9 ILE CB C 13 41.401 0.3 . 1 . . . . A 8 ILE CB . 30370 1 98 . 1 1 9 9 ILE CG1 C 13 27.111 0.3 . 1 . . . . A 8 ILE CG1 . 30370 1 99 . 1 1 9 9 ILE CG2 C 13 17.871 0.3 . 1 . . . . A 8 ILE CG2 . 30370 1 100 . 1 1 9 9 ILE CD1 C 13 13.486 0.3 . 1 . . . . A 8 ILE CD1 . 30370 1 101 . 1 1 9 9 ILE N N 15 122.304 0.25 . 1 . . . . A 8 ILE N . 30370 1 102 . 1 1 10 10 VAL H H 1 8.892 0.02 . 1 . . . . A 9 VAL H . 30370 1 103 . 1 1 10 10 VAL HA H 1 4.606 0.02 . 1 . . . . A 9 VAL HA . 30370 1 104 . 1 1 10 10 VAL HB H 1 1.573 0.02 . 1 . . . . A 9 VAL HB . 30370 1 105 . 1 1 10 10 VAL HG11 H 1 0.595 0.02 . 2 . . . . A 9 VAL HG11 . 30370 1 106 . 1 1 10 10 VAL HG12 H 1 0.595 0.02 . 2 . . . . A 9 VAL HG12 . 30370 1 107 . 1 1 10 10 VAL HG13 H 1 0.595 0.02 . 2 . . . . A 9 VAL HG13 . 30370 1 108 . 1 1 10 10 VAL HG21 H 1 0.595 0.02 . 2 . . . . A 9 VAL HG21 . 30370 1 109 . 1 1 10 10 VAL HG22 H 1 0.595 0.02 . 2 . . . . A 9 VAL HG22 . 30370 1 110 . 1 1 10 10 VAL HG23 H 1 0.595 0.02 . 2 . . . . A 9 VAL HG23 . 30370 1 111 . 1 1 10 10 VAL C C 13 177.734 0.3 . 1 . . . . A 9 VAL C . 30370 1 112 . 1 1 10 10 VAL CA C 13 59.038 0.3 . 1 . . . . A 9 VAL CA . 30370 1 113 . 1 1 10 10 VAL CB C 13 35.036 0.3 . 1 . . . . A 9 VAL CB . 30370 1 114 . 1 1 10 10 VAL CG1 C 13 21.477 0.3 . 2 . . . . A 9 VAL CG1 . 30370 1 115 . 1 1 10 10 VAL N N 15 122.955 0.25 . 1 . . . . A 9 VAL N . 30370 1 116 . 1 1 14 14 PRO HA H 1 4.26 0.02 . 1 . . . . A 13 PRO HA . 30370 1 117 . 1 1 14 14 PRO HB2 H 1 2.089 0.02 . 2 . . . . A 13 PRO HB2 . 30370 1 118 . 1 1 14 14 PRO HB3 H 1 1.937 0.02 . 2 . . . . A 13 PRO HB3 . 30370 1 119 . 1 1 14 14 PRO HG2 H 1 1.941 0.02 . 2 . . . . A 13 PRO HG2 . 30370 1 120 . 1 1 14 14 PRO HG3 H 1 1.941 0.02 . 2 . . . . A 13 PRO HG3 . 30370 1 121 . 1 1 14 14 PRO C C 13 177.914 0.3 . 1 . . . . A 13 PRO C . 30370 1 122 . 1 1 14 14 PRO CA C 13 64.22 0.3 . 1 . . . . A 13 PRO CA . 30370 1 123 . 1 1 14 14 PRO CB C 13 31.572 0.3 . 1 . . . . A 13 PRO CB . 30370 1 124 . 1 1 14 14 PRO CG C 13 27.662 0.3 . 1 . . . . A 13 PRO CG . 30370 1 125 . 1 1 15 15 GLN H H 1 7.35 0.02 . 1 . . . . A 14 GLN H . 30370 1 126 . 1 1 15 15 GLN HA H 1 4.213 0.02 . 1 . . . . A 14 GLN HA . 30370 1 127 . 1 1 15 15 GLN HB2 H 1 1.753 0.02 . 2 . . . . A 14 GLN HB2 . 30370 1 128 . 1 1 15 15 GLN HB3 H 1 1.753 0.02 . 2 . . . . A 14 GLN HB3 . 30370 1 129 . 1 1 15 15 GLN HG2 H 1 1.959 0.02 . 2 . . . . A 14 GLN HG2 . 30370 1 130 . 1 1 15 15 GLN HG3 H 1 2.099 0.02 . 2 . . . . A 14 GLN HG3 . 30370 1 131 . 1 1 15 15 GLN C C 13 175.334 0.3 . 1 . . . . A 14 GLN C . 30370 1 132 . 1 1 15 15 GLN CA C 13 55.48 0.3 . 1 . . . . A 14 GLN CA . 30370 1 133 . 1 1 15 15 GLN CB C 13 29.593 0.3 . 1 . . . . A 14 GLN CB . 30370 1 134 . 1 1 15 15 GLN CG C 13 34.208 0.3 . 1 . . . . A 14 GLN CG . 30370 1 135 . 1 1 15 15 GLN N N 15 116.078 0.25 . 1 . . . . A 14 GLN N . 30370 1 136 . 1 1 16 16 ASN H H 1 8.592 0.02 . 1 . . . . A 15 ASN H . 30370 1 137 . 1 1 16 16 ASN HA H 1 5.024 0.02 . 1 . . . . A 15 ASN HA . 30370 1 138 . 1 1 16 16 ASN HB2 H 1 2.703 0.02 . 2 . . . . A 15 ASN HB2 . 30370 1 139 . 1 1 16 16 ASN HB3 H 1 2.5 0.02 . 2 . . . . A 15 ASN HB3 . 30370 1 140 . 1 1 16 16 ASN HD21 H 1 6.977 0.02 . 2 . . . . A 15 ASN HD21 . 30370 1 141 . 1 1 16 16 ASN HD22 H 1 7.277 0.02 . 2 . . . . A 15 ASN HD22 . 30370 1 142 . 1 1 16 16 ASN C C 13 175.048 0.3 . 1 . . . . A 15 ASN C . 30370 1 143 . 1 1 16 16 ASN CA C 13 53.281 0.3 . 1 . . . . A 15 ASN CA . 30370 1 144 . 1 1 16 16 ASN CB C 13 41.052 0.3 . 1 . . . . A 15 ASN CB . 30370 1 145 . 1 1 16 16 ASN N N 15 118.478 0.25 . 1 . . . . A 15 ASN N . 30370 1 146 . 1 1 16 16 ASN ND2 N 15 111.004 0.25 . 1 . . . . A 15 ASN ND2 . 30370 1 147 . 1 1 17 17 TYR H H 1 8.449 0.02 . 1 . . . . A 16 TYR H . 30370 1 148 . 1 1 17 17 TYR HA H 1 5.075 0.02 . 1 . . . . A 16 TYR HA . 30370 1 149 . 1 1 17 17 TYR HB2 H 1 2.512 0.02 . 2 . . . . A 16 TYR HB2 . 30370 1 150 . 1 1 17 17 TYR HB3 H 1 2.394 0.02 . 2 . . . . A 16 TYR HB3 . 30370 1 151 . 1 1 17 17 TYR HD1 H 1 6.651 0.02 . 3 . . . . A 16 TYR HD1 . 30370 1 152 . 1 1 17 17 TYR HD2 H 1 6.651 0.02 . 3 . . . . A 16 TYR HD2 . 30370 1 153 . 1 1 17 17 TYR HE1 H 1 6.601 0.02 . 3 . . . . A 16 TYR HE1 . 30370 1 154 . 1 1 17 17 TYR HE2 H 1 6.601 0.02 . 3 . . . . A 16 TYR HE2 . 30370 1 155 . 1 1 17 17 TYR C C 13 174.466 0.3 . 1 . . . . A 16 TYR C . 30370 1 156 . 1 1 17 17 TYR CA C 13 57.002 0.3 . 1 . . . . A 16 TYR CA . 30370 1 157 . 1 1 17 17 TYR CB C 13 43.77 0.3 . 1 . . . . A 16 TYR CB . 30370 1 158 . 1 1 17 17 TYR CD1 C 13 132.787 0.3 . 3 . . . . A 16 TYR CD1 . 30370 1 159 . 1 1 17 17 TYR CE1 C 13 118.515 0.3 . 3 . . . . A 16 TYR CE1 . 30370 1 160 . 1 1 17 17 TYR N N 15 117.324 0.25 . 1 . . . . A 16 TYR N . 30370 1 161 . 1 1 18 18 ARG H H 1 9.02 0.02 . 1 . . . . A 17 ARG H . 30370 1 162 . 1 1 18 18 ARG HA H 1 4.654 0.02 . 1 . . . . A 17 ARG HA . 30370 1 163 . 1 1 18 18 ARG HB2 H 1 1.864 0.02 . 2 . . . . A 17 ARG HB2 . 30370 1 164 . 1 1 18 18 ARG HB3 H 1 1.656 0.02 . 2 . . . . A 17 ARG HB3 . 30370 1 165 . 1 1 18 18 ARG HG2 H 1 1.281 0.02 . 2 . . . . A 17 ARG HG2 . 30370 1 166 . 1 1 18 18 ARG HG3 H 1 1.362 0.02 . 2 . . . . A 17 ARG HG3 . 30370 1 167 . 1 1 18 18 ARG HD2 H 1 3.082 0.02 . 2 . . . . A 17 ARG HD2 . 30370 1 168 . 1 1 18 18 ARG HD3 H 1 2.989 0.02 . 2 . . . . A 17 ARG HD3 . 30370 1 169 . 1 1 18 18 ARG C C 13 175.987 0.3 . 1 . . . . A 17 ARG C . 30370 1 170 . 1 1 18 18 ARG CA C 13 53.567 0.3 . 1 . . . . A 17 ARG CA . 30370 1 171 . 1 1 18 18 ARG CB C 13 33.929 0.3 . 1 . . . . A 17 ARG CB . 30370 1 172 . 1 1 18 18 ARG CG C 13 26.142 0.3 . 1 . . . . A 17 ARG CG . 30370 1 173 . 1 1 18 18 ARG CD C 13 43.887 0.3 . 1 . . . . A 17 ARG CD . 30370 1 174 . 1 1 18 18 ARG N N 15 114.446 0.25 . 1 . . . . A 17 ARG N . 30370 1 175 . 1 1 19 19 TRP H H 1 8.198 0.02 . 1 . . . . A 18 TRP H . 30370 1 176 . 1 1 19 19 TRP HA H 1 5.045 0.02 . 1 . . . . A 18 TRP HA . 30370 1 177 . 1 1 19 19 TRP HB2 H 1 2.999 0.02 . 2 . . . . A 18 TRP HB2 . 30370 1 178 . 1 1 19 19 TRP HB3 H 1 3.135 0.02 . 2 . . . . A 18 TRP HB3 . 30370 1 179 . 1 1 19 19 TRP HD1 H 1 7.34 0.02 . 1 . . . . A 18 TRP HD1 . 30370 1 180 . 1 1 19 19 TRP HE1 H 1 10.371 0.02 . 1 . . . . A 18 TRP HE1 . 30370 1 181 . 1 1 19 19 TRP HE3 H 1 7.758 0.02 . 1 . . . . A 18 TRP HE3 . 30370 1 182 . 1 1 19 19 TRP HZ2 H 1 7.343 0.02 . 1 . . . . A 18 TRP HZ2 . 30370 1 183 . 1 1 19 19 TRP HH2 H 1 7.105 0.02 . 1 . . . . A 18 TRP HH2 . 30370 1 184 . 1 1 19 19 TRP C C 13 179.085 0.3 . 1 . . . . A 18 TRP C . 30370 1 185 . 1 1 19 19 TRP CA C 13 56.36 0.3 . 1 . . . . A 18 TRP CA . 30370 1 186 . 1 1 19 19 TRP CB C 13 30.046 0.3 . 1 . . . . A 18 TRP CB . 30370 1 187 . 1 1 19 19 TRP CD1 C 13 129.054 0.3 . 1 . . . . A 18 TRP CD1 . 30370 1 188 . 1 1 19 19 TRP CE3 C 13 121.735 0.3 . 1 . . . . A 18 TRP CE3 . 30370 1 189 . 1 1 19 19 TRP CZ2 C 13 115.435 0.3 . 1 . . . . A 18 TRP CZ2 . 30370 1 190 . 1 1 19 19 TRP N N 15 118.945 0.25 . 1 . . . . A 18 TRP N . 30370 1 191 . 1 1 19 19 TRP NE1 N 15 129.562 0.25 . 1 . . . . A 18 TRP NE1 . 30370 1 192 . 1 1 20 20 SER H H 1 8.843 0.02 . 1 . . . . A 19 SER H . 30370 1 193 . 1 1 20 20 SER HA H 1 4.182 0.02 . 1 . . . . A 19 SER HA . 30370 1 194 . 1 1 20 20 SER HB2 H 1 3.847 0.02 . 2 . . . . A 19 SER HB2 . 30370 1 195 . 1 1 20 20 SER HB3 H 1 3.401 0.02 . 2 . . . . A 19 SER HB3 . 30370 1 196 . 1 1 20 20 SER C C 13 175.922 0.3 . 1 . . . . A 19 SER C . 30370 1 197 . 1 1 20 20 SER CA C 13 59.252 0.3 . 1 . . . . A 19 SER CA . 30370 1 198 . 1 1 20 20 SER CB C 13 63.755 0.3 . 1 . . . . A 19 SER CB . 30370 1 199 . 1 1 20 20 SER N N 15 120.682 0.25 . 1 . . . . A 19 SER N . 30370 1 200 . 1 1 21 21 ALA H H 1 8.816 0.02 . 1 . . . . A 20 ALA H . 30370 1 201 . 1 1 21 21 ALA HA H 1 4.092 0.02 . 1 . . . . A 20 ALA HA . 30370 1 202 . 1 1 21 21 ALA HB1 H 1 1.323 0.02 . 1 . . . . A 20 ALA HB1 . 30370 1 203 . 1 1 21 21 ALA HB2 H 1 1.323 0.02 . 1 . . . . A 20 ALA HB2 . 30370 1 204 . 1 1 21 21 ALA HB3 H 1 1.323 0.02 . 1 . . . . A 20 ALA HB3 . 30370 1 205 . 1 1 21 21 ALA C C 13 179.547 0.3 . 1 . . . . A 20 ALA C . 30370 1 206 . 1 1 21 21 ALA CA C 13 54.024 0.3 . 1 . . . . A 20 ALA CA . 30370 1 207 . 1 1 21 21 ALA CB C 13 18.023 0.3 . 1 . . . . A 20 ALA CB . 30370 1 208 . 1 1 21 21 ALA N N 15 128.629 0.25 . 1 . . . . A 20 ALA N . 30370 1 209 . 1 1 22 22 GLY H H 1 8.494 0.02 . 1 . . . . A 21 GLY H . 30370 1 210 . 1 1 22 22 GLY HA2 H 1 3.806 0.02 . 2 . . . . A 21 GLY HA2 . 30370 1 211 . 1 1 22 22 GLY HA3 H 1 3.46 0.02 . 2 . . . . A 21 GLY HA3 . 30370 1 212 . 1 1 22 22 GLY C C 13 175.482 0.3 . 1 . . . . A 21 GLY C . 30370 1 213 . 1 1 22 22 GLY CA C 13 45.1 0.3 . 1 . . . . A 21 GLY CA . 30370 1 214 . 1 1 22 22 GLY N N 15 109.991 0.25 . 1 . . . . A 21 GLY N . 30370 1 215 . 1 1 23 23 PHE H H 1 8.142 0.02 . 1 . . . . A 22 PHE H . 30370 1 216 . 1 1 23 23 PHE HA H 1 4.653 0.02 . 1 . . . . A 22 PHE HA . 30370 1 217 . 1 1 23 23 PHE HB2 H 1 3.496 0.02 . 2 . . . . A 22 PHE HB2 . 30370 1 218 . 1 1 23 23 PHE HB3 H 1 2.477 0.02 . 2 . . . . A 22 PHE HB3 . 30370 1 219 . 1 1 23 23 PHE HD1 H 1 7.021 0.02 . 3 . . . . A 22 PHE HD1 . 30370 1 220 . 1 1 23 23 PHE HD2 H 1 7.021 0.02 . 3 . . . . A 22 PHE HD2 . 30370 1 221 . 1 1 23 23 PHE HE1 H 1 7.235 0.02 . 3 . . . . A 22 PHE HE1 . 30370 1 222 . 1 1 23 23 PHE HE2 H 1 7.235 0.02 . 3 . . . . A 22 PHE HE2 . 30370 1 223 . 1 1 23 23 PHE C C 13 176.574 0.3 . 1 . . . . A 22 PHE C . 30370 1 224 . 1 1 23 23 PHE CA C 13 56.981 0.3 . 1 . . . . A 22 PHE CA . 30370 1 225 . 1 1 23 23 PHE CB C 13 40.393 0.3 . 1 . . . . A 22 PHE CB . 30370 1 226 . 1 1 23 23 PHE CD1 C 13 132.482 0.3 . 3 . . . . A 22 PHE CD1 . 30370 1 227 . 1 1 23 23 PHE N N 15 117.788 0.25 . 1 . . . . A 22 PHE N . 30370 1 228 . 1 1 24 24 ALA H H 1 8.118 0.02 . 1 . . . . A 23 ALA H . 30370 1 229 . 1 1 24 24 ALA HA H 1 3.306 0.02 . 1 . . . . A 23 ALA HA . 30370 1 230 . 1 1 24 24 ALA HB1 H 1 0.852 0.02 . 1 . . . . A 23 ALA HB1 . 30370 1 231 . 1 1 24 24 ALA HB2 H 1 0.852 0.02 . 1 . . . . A 23 ALA HB2 . 30370 1 232 . 1 1 24 24 ALA HB3 H 1 0.852 0.02 . 1 . . . . A 23 ALA HB3 . 30370 1 233 . 1 1 24 24 ALA C C 13 179.076 0.3 . 1 . . . . A 23 ALA C . 30370 1 234 . 1 1 24 24 ALA CA C 13 54.019 0.3 . 1 . . . . A 23 ALA CA . 30370 1 235 . 1 1 24 24 ALA CB C 13 16.841 0.3 . 1 . . . . A 23 ALA CB . 30370 1 236 . 1 1 24 24 ALA N N 15 123.76 0.25 . 1 . . . . A 23 ALA N . 30370 1 237 . 1 1 25 25 GLY HA2 H 1 3.766 0.02 . 2 . . . . A 24 GLY HA2 . 30370 1 238 . 1 1 25 25 GLY HA3 H 1 2.481 0.02 . 2 . . . . A 24 GLY HA3 . 30370 1 239 . 1 1 25 25 GLY C C 13 174.561 0.3 . 1 . . . . A 24 GLY C . 30370 1 240 . 1 1 25 25 GLY CA C 13 45.548 0.3 . 1 . . . . A 24 GLY CA . 30370 1 241 . 1 1 26 26 SER H H 1 8.107 0.02 . 1 . . . . A 25 SER H . 30370 1 242 . 1 1 26 26 SER HA H 1 4.75 0.02 . 1 . . . . A 25 SER HA . 30370 1 243 . 1 1 26 26 SER HB2 H 1 3.683 0.02 . 2 . . . . A 25 SER HB2 . 30370 1 244 . 1 1 26 26 SER HB3 H 1 3.835 0.02 . 2 . . . . A 25 SER HB3 . 30370 1 245 . 1 1 26 26 SER C C 13 174.323 0.3 . 1 . . . . A 25 SER C . 30370 1 246 . 1 1 26 26 SER CA C 13 59.063 0.3 . 1 . . . . A 25 SER CA . 30370 1 247 . 1 1 26 26 SER CB C 13 65.772 0.3 . 1 . . . . A 25 SER CB . 30370 1 248 . 1 1 26 26 SER N N 15 112.185 0.25 . 1 . . . . A 25 SER N . 30370 1 249 . 1 1 27 27 LYS H H 1 8.131 0.02 . 1 . . . . A 26 LYS H . 30370 1 250 . 1 1 27 27 LYS HA H 1 4.738 0.02 . 1 . . . . A 26 LYS HA . 30370 1 251 . 1 1 27 27 LYS HB2 H 1 1.673 0.02 . 2 . . . . A 26 LYS HB2 . 30370 1 252 . 1 1 27 27 LYS HB3 H 1 1.536 0.02 . 2 . . . . A 26 LYS HB3 . 30370 1 253 . 1 1 27 27 LYS HG2 H 1 1.236 0.02 . 2 . . . . A 26 LYS HG2 . 30370 1 254 . 1 1 27 27 LYS HG3 H 1 1.299 0.02 . 2 . . . . A 26 LYS HG3 . 30370 1 255 . 1 1 27 27 LYS HD2 H 1 1.209 0.02 . 2 . . . . A 26 LYS HD2 . 30370 1 256 . 1 1 27 27 LYS HD3 H 1 1 0.02 . 2 . . . . A 26 LYS HD3 . 30370 1 257 . 1 1 27 27 LYS HE3 H 1 2.462 0.02 . 2 . . . . A 26 LYS HE3 . 30370 1 258 . 1 1 27 27 LYS C C 13 175.828 0.3 . 1 . . . . A 26 LYS C . 30370 1 259 . 1 1 27 27 LYS CA C 13 56.673 0.3 . 1 . . . . A 26 LYS CA . 30370 1 260 . 1 1 27 27 LYS CB C 13 36.223 0.3 . 1 . . . . A 26 LYS CB . 30370 1 261 . 1 1 27 27 LYS CG C 13 24.746 0.3 . 1 . . . . A 26 LYS CG . 30370 1 262 . 1 1 27 27 LYS CD C 13 29.201 0.3 . 1 . . . . A 26 LYS CD . 30370 1 263 . 1 1 27 27 LYS CE C 13 41.835 0.3 . 1 . . . . A 26 LYS CE . 30370 1 264 . 1 1 27 27 LYS N N 15 120.756 0.25 . 1 . . . . A 26 LYS N . 30370 1 265 . 1 1 28 28 VAL H H 1 8.216 0.02 . 1 . . . . A 27 VAL H . 30370 1 266 . 1 1 28 28 VAL HA H 1 5.073 0.02 . 1 . . . . A 27 VAL HA . 30370 1 267 . 1 1 28 28 VAL HB H 1 1.468 0.02 . 1 . . . . A 27 VAL HB . 30370 1 268 . 1 1 28 28 VAL HG11 H 1 -0.412 0.02 . 2 . . . . A 27 VAL HG11 . 30370 1 269 . 1 1 28 28 VAL HG12 H 1 -0.412 0.02 . 2 . . . . A 27 VAL HG12 . 30370 1 270 . 1 1 28 28 VAL HG13 H 1 -0.412 0.02 . 2 . . . . A 27 VAL HG13 . 30370 1 271 . 1 1 28 28 VAL HG21 H 1 0.136 0.02 . 2 . . . . A 27 VAL HG21 . 30370 1 272 . 1 1 28 28 VAL HG22 H 1 0.136 0.02 . 2 . . . . A 27 VAL HG22 . 30370 1 273 . 1 1 28 28 VAL HG23 H 1 0.136 0.02 . 2 . . . . A 27 VAL HG23 . 30370 1 274 . 1 1 28 28 VAL C C 13 176.189 0.3 . 1 . . . . A 27 VAL C . 30370 1 275 . 1 1 28 28 VAL CA C 13 58.755 0.3 . 1 . . . . A 27 VAL CA . 30370 1 276 . 1 1 28 28 VAL CB C 13 35.929 0.3 . 1 . . . . A 27 VAL CB . 30370 1 277 . 1 1 28 28 VAL CG1 C 13 21.795 0.3 . 2 . . . . A 27 VAL CG1 . 30370 1 278 . 1 1 28 28 VAL CG2 C 13 18.144 0.3 . 2 . . . . A 27 VAL CG2 . 30370 1 279 . 1 1 28 28 VAL N N 15 115.53 0.25 . 1 . . . . A 27 VAL N . 30370 1 280 . 1 1 29 29 GLU H H 1 8.949 0.02 . 1 . . . . A 28 GLU H . 30370 1 281 . 1 1 29 29 GLU HA H 1 4.996 0.02 . 1 . . . . A 28 GLU HA . 30370 1 282 . 1 1 29 29 GLU HB2 H 1 1.928 0.02 . 2 . . . . A 28 GLU HB2 . 30370 1 283 . 1 1 29 29 GLU HG2 H 1 1.928 0.02 . 2 . . . . A 28 GLU HG2 . 30370 1 284 . 1 1 29 29 GLU C C 13 173.337 0.3 . 1 . . . . A 28 GLU C . 30370 1 285 . 1 1 29 29 GLU CA C 13 52.412 0.3 . 1 . . . . A 28 GLU CA . 30370 1 286 . 1 1 29 29 GLU CB C 13 31.187 0.3 . 1 . . . . A 28 GLU CB . 30370 1 287 . 1 1 29 29 GLU CG C 13 34.785 0.3 . 1 . . . . A 28 GLU CG . 30370 1 288 . 1 1 29 29 GLU N N 15 116.399 0.25 . 1 . . . . A 28 GLU N . 30370 1 289 . 1 1 30 30 PRO HA H 1 3.953 0.02 . 1 . . . . A 29 PRO HA . 30370 1 290 . 1 1 30 30 PRO HB2 H 1 1.492 0.02 . 2 . . . . A 29 PRO HB2 . 30370 1 291 . 1 1 30 30 PRO HB3 H 1 1.548 0.02 . 2 . . . . A 29 PRO HB3 . 30370 1 292 . 1 1 30 30 PRO HG2 H 1 1.914 0.02 . 2 . . . . A 29 PRO HG2 . 30370 1 293 . 1 1 30 30 PRO HG3 H 1 1.805 0.02 . 2 . . . . A 29 PRO HG3 . 30370 1 294 . 1 1 30 30 PRO HD2 H 1 3.748 0.02 . 2 . . . . A 29 PRO HD2 . 30370 1 295 . 1 1 30 30 PRO HD3 H 1 3.647 0.02 . 2 . . . . A 29 PRO HD3 . 30370 1 296 . 1 1 30 30 PRO C C 13 175.606 0.3 . 1 . . . . A 29 PRO C . 30370 1 297 . 1 1 30 30 PRO CA C 13 61.954 0.3 . 1 . . . . A 29 PRO CA . 30370 1 298 . 1 1 30 30 PRO CB C 13 31.418 0.3 . 1 . . . . A 29 PRO CB . 30370 1 299 . 1 1 30 30 PRO CG C 13 27.242 0.3 . 1 . . . . A 29 PRO CG . 30370 1 300 . 1 1 30 30 PRO CD C 13 50.355 0.3 . 1 . . . . A 29 PRO CD . 30370 1 301 . 1 1 31 31 ILE H H 1 8.041 0.02 . 1 . . . . A 30 ILE H . 30370 1 302 . 1 1 31 31 ILE HA H 1 4.069 0.02 . 1 . . . . A 30 ILE HA . 30370 1 303 . 1 1 31 31 ILE HB H 1 1.445 0.02 . 1 . . . . A 30 ILE HB . 30370 1 304 . 1 1 31 31 ILE HG12 H 1 0.658 0.02 . 2 . . . . A 30 ILE HG12 . 30370 1 305 . 1 1 31 31 ILE HG13 H 1 1.249 0.02 . 2 . . . . A 30 ILE HG13 . 30370 1 306 . 1 1 31 31 ILE HG21 H 1 0.815 0.02 . 1 . . . . A 30 ILE HG21 . 30370 1 307 . 1 1 31 31 ILE HG22 H 1 0.815 0.02 . 1 . . . . A 30 ILE HG22 . 30370 1 308 . 1 1 31 31 ILE HG23 H 1 0.815 0.02 . 1 . . . . A 30 ILE HG23 . 30370 1 309 . 1 1 31 31 ILE HD11 H 1 0.753 0.02 . 1 . . . . A 30 ILE HD11 . 30370 1 310 . 1 1 31 31 ILE HD12 H 1 0.753 0.02 . 1 . . . . A 30 ILE HD12 . 30370 1 311 . 1 1 31 31 ILE HD13 H 1 0.753 0.02 . 1 . . . . A 30 ILE HD13 . 30370 1 312 . 1 1 31 31 ILE C C 13 173.709 0.3 . 1 . . . . A 30 ILE C . 30370 1 313 . 1 1 31 31 ILE CA C 13 59.236 0.3 . 1 . . . . A 30 ILE CA . 30370 1 314 . 1 1 31 31 ILE CB C 13 38.792 0.3 . 1 . . . . A 30 ILE CB . 30370 1 315 . 1 1 31 31 ILE CG1 C 13 28.025 0.3 . 1 . . . . A 30 ILE CG1 . 30370 1 316 . 1 1 31 31 ILE CG2 C 13 16.597 0.3 . 1 . . . . A 30 ILE CG2 . 30370 1 317 . 1 1 31 31 ILE CD1 C 13 14.352 0.3 . 1 . . . . A 30 ILE CD1 . 30370 1 318 . 1 1 31 31 ILE N N 15 121.959 0.25 . 1 . . . . A 30 ILE N . 30370 1 319 . 1 1 32 32 PRO HA H 1 4.269 0.02 . 1 . . . . A 31 PRO HA . 30370 1 320 . 1 1 32 32 PRO HB2 H 1 1.787 0.02 . 2 . . . . A 31 PRO HB2 . 30370 1 321 . 1 1 32 32 PRO HB3 H 1 2.235 0.02 . 2 . . . . A 31 PRO HB3 . 30370 1 322 . 1 1 32 32 PRO HG2 H 1 1.923 0.02 . 2 . . . . A 31 PRO HG2 . 30370 1 323 . 1 1 32 32 PRO HG3 H 1 1.923 0.02 . 2 . . . . A 31 PRO HG3 . 30370 1 324 . 1 1 32 32 PRO HD2 H 1 3.771 0.02 . 2 . . . . A 31 PRO HD2 . 30370 1 325 . 1 1 32 32 PRO HD3 H 1 3.534 0.02 . 2 . . . . A 31 PRO HD3 . 30370 1 326 . 1 1 32 32 PRO C C 13 177.757 0.3 . 1 . . . . A 31 PRO C . 30370 1 327 . 1 1 32 32 PRO CA C 13 63.065 0.3 . 1 . . . . A 31 PRO CA . 30370 1 328 . 1 1 32 32 PRO CB C 13 32.104 0.3 . 1 . . . . A 31 PRO CB . 30370 1 329 . 1 1 32 32 PRO CG C 13 27.257 0.3 . 1 . . . . A 31 PRO CG . 30370 1 330 . 1 1 32 32 PRO CD C 13 50.773 0.3 . 1 . . . . A 31 PRO CD . 30370 1 331 . 1 1 33 33 GLN H H 1 8.528 0.02 . 1 . . . . A 32 GLN H . 30370 1 332 . 1 1 33 33 GLN HA H 1 4.02 0.02 . 1 . . . . A 32 GLN HA . 30370 1 333 . 1 1 33 33 GLN HB2 H 1 1.943 0.02 . 2 . . . . A 32 GLN HB2 . 30370 1 334 . 1 1 33 33 GLN HB3 H 1 1.943 0.02 . 2 . . . . A 32 GLN HB3 . 30370 1 335 . 1 1 33 33 GLN HG2 H 1 2.3 0.02 . 2 . . . . A 32 GLN HG2 . 30370 1 336 . 1 1 33 33 GLN HG3 H 1 2.3 0.02 . 2 . . . . A 32 GLN HG3 . 30370 1 337 . 1 1 33 33 GLN C C 13 177.309 0.3 . 1 . . . . A 32 GLN C . 30370 1 338 . 1 1 33 33 GLN CA C 13 57.351 0.3 . 1 . . . . A 32 GLN CA . 30370 1 339 . 1 1 33 33 GLN CB C 13 28.678 0.3 . 1 . . . . A 32 GLN CB . 30370 1 340 . 1 1 33 33 GLN CG C 13 33.952 0.3 . 1 . . . . A 32 GLN CG . 30370 1 341 . 1 1 33 33 GLN N N 15 120.306 0.25 . 1 . . . . A 32 GLN N . 30370 1 342 . 1 1 34 34 ASN H H 1 8.467 0.02 . 1 . . . . A 33 ASN H . 30370 1 343 . 1 1 34 34 ASN HA H 1 4.539 0.02 . 1 . . . . A 33 ASN HA . 30370 1 344 . 1 1 34 34 ASN HB2 H 1 2.816 0.02 . 2 . . . . A 33 ASN HB2 . 30370 1 345 . 1 1 34 34 ASN HB3 H 1 2.852 0.02 . 2 . . . . A 33 ASN HB3 . 30370 1 346 . 1 1 34 34 ASN HD21 H 1 6.819 0.02 . 2 . . . . A 33 ASN HD21 . 30370 1 347 . 1 1 34 34 ASN HD22 H 1 7.51 0.02 . 2 . . . . A 33 ASN HD22 . 30370 1 348 . 1 1 34 34 ASN C C 13 175.934 0.3 . 1 . . . . A 33 ASN C . 30370 1 349 . 1 1 34 34 ASN CA C 13 53.557 0.3 . 1 . . . . A 33 ASN CA . 30370 1 350 . 1 1 34 34 ASN CB C 13 37.782 0.3 . 1 . . . . A 33 ASN CB . 30370 1 351 . 1 1 34 34 ASN N N 15 115.984 0.25 . 1 . . . . A 33 ASN N . 30370 1 352 . 1 1 34 34 ASN ND2 N 15 111.704 0.25 . 1 . . . . A 33 ASN ND2 . 30370 1 353 . 1 1 35 35 GLY H H 1 7.98 0.02 . 1 . . . . A 34 GLY H . 30370 1 354 . 1 1 35 35 GLY HA2 H 1 4.18 0.02 . 2 . . . . A 34 GLY HA2 . 30370 1 355 . 1 1 35 35 GLY HA3 H 1 3.591 0.02 . 2 . . . . A 34 GLY HA3 . 30370 1 356 . 1 1 35 35 GLY C C 13 172.283 0.3 . 1 . . . . A 34 GLY C . 30370 1 357 . 1 1 35 35 GLY CA C 13 44.378 0.3 . 1 . . . . A 34 GLY CA . 30370 1 358 . 1 1 35 35 GLY N N 15 107.598 0.25 . 1 . . . . A 34 GLY N . 30370 1 359 . 1 1 36 36 PRO HA H 1 4.364 0.02 . 1 . . . . A 35 PRO HA . 30370 1 360 . 1 1 36 36 PRO HB2 H 1 1.842 0.02 . 2 . . . . A 35 PRO HB2 . 30370 1 361 . 1 1 36 36 PRO HB3 H 1 2.162 0.02 . 2 . . . . A 35 PRO HB3 . 30370 1 362 . 1 1 36 36 PRO HG2 H 1 1.939 0.02 . 2 . . . . A 35 PRO HG2 . 30370 1 363 . 1 1 36 36 PRO HG3 H 1 1.939 0.02 . 2 . . . . A 35 PRO HG3 . 30370 1 364 . 1 1 36 36 PRO HD2 H 1 3.515 0.02 . 2 . . . . A 35 PRO HD2 . 30370 1 365 . 1 1 36 36 PRO HD3 H 1 3.515 0.02 . 2 . . . . A 35 PRO HD3 . 30370 1 366 . 1 1 36 36 PRO C C 13 177.948 0.3 . 1 . . . . A 35 PRO C . 30370 1 367 . 1 1 36 36 PRO CA C 13 62.92 0.3 . 1 . . . . A 35 PRO CA . 30370 1 368 . 1 1 36 36 PRO CB C 13 31.901 0.3 . 1 . . . . A 35 PRO CB . 30370 1 369 . 1 1 36 36 PRO CG C 13 27.3 0.3 . 1 . . . . A 35 PRO CG . 30370 1 370 . 1 1 36 36 PRO CD C 13 49.621 0.3 . 1 . . . . A 35 PRO CD . 30370 1 371 . 1 1 37 37 CYS H H 1 8.52 0.02 . 1 . . . . A 36 CYS H . 30370 1 372 . 1 1 37 37 CYS HA H 1 4.415 0.02 . 1 . . . . A 36 CYS HA . 30370 1 373 . 1 1 37 37 CYS HB2 H 1 2.808 0.02 . 2 . . . . A 36 CYS HB2 . 30370 1 374 . 1 1 37 37 CYS HB3 H 1 2.808 0.02 . 2 . . . . A 36 CYS HB3 . 30370 1 375 . 1 1 37 37 CYS C C 13 175.928 0.3 . 1 . . . . A 36 CYS C . 30370 1 376 . 1 1 37 37 CYS CA C 13 58.668 0.3 . 1 . . . . A 36 CYS CA . 30370 1 377 . 1 1 37 37 CYS CB C 13 28.054 0.3 . 1 . . . . A 36 CYS CB . 30370 1 378 . 1 1 37 37 CYS N N 15 119.728 0.25 . 1 . . . . A 36 CYS N . 30370 1 379 . 1 1 38 38 GLY H H 1 8.331 0.02 . 1 . . . . A 37 GLY H . 30370 1 380 . 1 1 38 38 GLY HA2 H 1 3.891 0.02 . 2 . . . . A 37 GLY HA2 . 30370 1 381 . 1 1 38 38 GLY HA3 H 1 4.045 0.02 . 2 . . . . A 37 GLY HA3 . 30370 1 382 . 1 1 38 38 GLY C C 13 175.357 0.3 . 1 . . . . A 37 GLY C . 30370 1 383 . 1 1 38 38 GLY CA C 13 44.974 0.3 . 1 . . . . A 37 GLY CA . 30370 1 384 . 1 1 38 38 GLY N N 15 109.72 0.25 . 1 . . . . A 37 GLY N . 30370 1 385 . 1 1 39 39 ASP H H 1 8.453 0.02 . 1 . . . . A 38 ASP H . 30370 1 386 . 1 1 39 39 ASP HA H 1 4.493 0.02 . 1 . . . . A 38 ASP HA . 30370 1 387 . 1 1 39 39 ASP HB2 H 1 2.543 0.02 . 2 . . . . A 38 ASP HB2 . 30370 1 388 . 1 1 39 39 ASP HB3 H 1 2.667 0.02 . 2 . . . . A 38 ASP HB3 . 30370 1 389 . 1 1 39 39 ASP C C 13 177.262 0.3 . 1 . . . . A 38 ASP C . 30370 1 390 . 1 1 39 39 ASP CA C 13 55.342 0.3 . 1 . . . . A 38 ASP CA . 30370 1 391 . 1 1 39 39 ASP CB C 13 41.025 0.3 . 1 . . . . A 38 ASP CB . 30370 1 392 . 1 1 39 39 ASP N N 15 119.755 0.25 . 1 . . . . A 38 ASP N . 30370 1 393 . 1 1 40 40 ASN H H 1 8.403 0.02 . 1 . . . . A 39 ASN H . 30370 1 394 . 1 1 40 40 ASN HA H 1 4.915 0.02 . 1 . . . . A 39 ASN HA . 30370 1 395 . 1 1 40 40 ASN HB2 H 1 2.837 0.02 . 2 . . . . A 39 ASN HB2 . 30370 1 396 . 1 1 40 40 ASN HB3 H 1 2.883 0.02 . 2 . . . . A 39 ASN HB3 . 30370 1 397 . 1 1 40 40 ASN C C 13 175.836 0.3 . 1 . . . . A 39 ASN C . 30370 1 398 . 1 1 40 40 ASN CA C 13 52.93 0.3 . 1 . . . . A 39 ASN CA . 30370 1 399 . 1 1 40 40 ASN CB C 13 38.304 0.3 . 1 . . . . A 39 ASN CB . 30370 1 400 . 1 1 40 40 ASN N N 15 116.072 0.25 . 1 . . . . A 39 ASN N . 30370 1 401 . 1 1 41 41 SER H H 1 7.849 0.02 . 1 . . . . A 40 SER H . 30370 1 402 . 1 1 41 41 SER HA H 1 4.654 0.02 . 1 . . . . A 40 SER HA . 30370 1 403 . 1 1 41 41 SER HB2 H 1 3.972 0.02 . 2 . . . . A 40 SER HB2 . 30370 1 404 . 1 1 41 41 SER HB3 H 1 3.873 0.02 . 2 . . . . A 40 SER HB3 . 30370 1 405 . 1 1 41 41 SER C C 13 173.697 0.3 . 1 . . . . A 40 SER C . 30370 1 406 . 1 1 41 41 SER CA C 13 58.72 0.3 . 1 . . . . A 40 SER CA . 30370 1 407 . 1 1 41 41 SER CB C 13 64.724 0.3 . 1 . . . . A 40 SER CB . 30370 1 408 . 1 1 41 41 SER N N 15 114.51 0.25 . 1 . . . . A 40 SER N . 30370 1 409 . 1 1 42 42 LEU H H 1 9.185 0.02 . 1 . . . . A 41 LEU H . 30370 1 410 . 1 1 42 42 LEU HA H 1 5.11 0.02 . 1 . . . . A 41 LEU HA . 30370 1 411 . 1 1 42 42 LEU HB2 H 1 1.158 0.02 . 2 . . . . A 41 LEU HB2 . 30370 1 412 . 1 1 42 42 LEU HB3 H 1 1.22 0.02 . 2 . . . . A 41 LEU HB3 . 30370 1 413 . 1 1 42 42 LEU HG H 1 1.097 0.02 . 1 . . . . A 41 LEU HG . 30370 1 414 . 1 1 42 42 LEU HD11 H 1 -0.848 0.02 . 2 . . . . A 41 LEU HD11 . 30370 1 415 . 1 1 42 42 LEU HD12 H 1 -0.848 0.02 . 2 . . . . A 41 LEU HD12 . 30370 1 416 . 1 1 42 42 LEU HD13 H 1 -0.848 0.02 . 2 . . . . A 41 LEU HD13 . 30370 1 417 . 1 1 42 42 LEU HD21 H 1 0.38 0.02 . 2 . . . . A 41 LEU HD21 . 30370 1 418 . 1 1 42 42 LEU HD22 H 1 0.38 0.02 . 2 . . . . A 41 LEU HD22 . 30370 1 419 . 1 1 42 42 LEU HD23 H 1 0.38 0.02 . 2 . . . . A 41 LEU HD23 . 30370 1 420 . 1 1 42 42 LEU C C 13 174.406 0.3 . 1 . . . . A 41 LEU C . 30370 1 421 . 1 1 42 42 LEU CA C 13 53.406 0.3 . 1 . . . . A 41 LEU CA . 30370 1 422 . 1 1 42 42 LEU CB C 13 46.423 0.3 . 1 . . . . A 41 LEU CB . 30370 1 423 . 1 1 42 42 LEU CG C 13 26.626 0.3 . 1 . . . . A 41 LEU CG . 30370 1 424 . 1 1 42 42 LEU CD1 C 13 24.147 0.3 . 2 . . . . A 41 LEU CD1 . 30370 1 425 . 1 1 42 42 LEU CD2 C 13 22.34 0.3 . 2 . . . . A 41 LEU CD2 . 30370 1 426 . 1 1 42 42 LEU N N 15 119.154 0.25 . 1 . . . . A 41 LEU N . 30370 1 427 . 1 1 43 43 VAL H H 1 9.234 0.02 . 1 . . . . A 42 VAL H . 30370 1 428 . 1 1 43 43 VAL HA H 1 4.385 0.02 . 1 . . . . A 42 VAL HA . 30370 1 429 . 1 1 43 43 VAL HB H 1 1.604 0.02 . 1 . . . . A 42 VAL HB . 30370 1 430 . 1 1 43 43 VAL HG11 H 1 0.707 0.02 . 2 . . . . A 42 VAL HG11 . 30370 1 431 . 1 1 43 43 VAL HG12 H 1 0.707 0.02 . 2 . . . . A 42 VAL HG12 . 30370 1 432 . 1 1 43 43 VAL HG13 H 1 0.707 0.02 . 2 . . . . A 42 VAL HG13 . 30370 1 433 . 1 1 43 43 VAL HG21 H 1 0.629 0.02 . 2 . . . . A 42 VAL HG21 . 30370 1 434 . 1 1 43 43 VAL HG22 H 1 0.629 0.02 . 2 . . . . A 42 VAL HG22 . 30370 1 435 . 1 1 43 43 VAL HG23 H 1 0.629 0.02 . 2 . . . . A 42 VAL HG23 . 30370 1 436 . 1 1 43 43 VAL C C 13 173.706 0.3 . 1 . . . . A 42 VAL C . 30370 1 437 . 1 1 43 43 VAL CA C 13 60.188 0.3 . 1 . . . . A 42 VAL CA . 30370 1 438 . 1 1 43 43 VAL CB C 13 34.311 0.3 . 1 . . . . A 42 VAL CB . 30370 1 439 . 1 1 43 43 VAL CG1 C 13 21.179 0.3 . 2 . . . . A 42 VAL CG1 . 30370 1 440 . 1 1 43 43 VAL CG2 C 13 20.924 0.3 . 2 . . . . A 42 VAL CG2 . 30370 1 441 . 1 1 43 43 VAL N N 15 121.312 0.25 . 1 . . . . A 42 VAL N . 30370 1 442 . 1 1 44 44 ALA H H 1 9.477 0.02 . 1 . . . . A 43 ALA H . 30370 1 443 . 1 1 44 44 ALA HA H 1 4.232 0.02 . 1 . . . . A 43 ALA HA . 30370 1 444 . 1 1 44 44 ALA HB1 H 1 0.497 0.02 . 1 . . . . A 43 ALA HB1 . 30370 1 445 . 1 1 44 44 ALA HB2 H 1 0.497 0.02 . 1 . . . . A 43 ALA HB2 . 30370 1 446 . 1 1 44 44 ALA HB3 H 1 0.497 0.02 . 1 . . . . A 43 ALA HB3 . 30370 1 447 . 1 1 44 44 ALA C C 13 176.711 0.3 . 1 . . . . A 43 ALA C . 30370 1 448 . 1 1 44 44 ALA CA C 13 49.46 0.3 . 1 . . . . A 43 ALA CA . 30370 1 449 . 1 1 44 44 ALA CB C 13 23.015 0.3 . 1 . . . . A 43 ALA CB . 30370 1 450 . 1 1 44 44 ALA N N 15 127.249 0.25 . 1 . . . . A 43 ALA N . 30370 1 451 . 1 1 45 45 LEU H H 1 8.594 0.02 . 1 . . . . A 44 LEU H . 30370 1 452 . 1 1 45 45 LEU HA H 1 4.748 0.02 . 1 . . . . A 44 LEU HA . 30370 1 453 . 1 1 45 45 LEU HB2 H 1 0.771 0.02 . 2 . . . . A 44 LEU HB2 . 30370 1 454 . 1 1 45 45 LEU HB3 H 1 1.529 0.02 . 2 . . . . A 44 LEU HB3 . 30370 1 455 . 1 1 45 45 LEU HG H 1 1.309 0.02 . 1 . . . . A 44 LEU HG . 30370 1 456 . 1 1 45 45 LEU HD11 H 1 0.751 0.02 . 2 . . . . A 44 LEU HD11 . 30370 1 457 . 1 1 45 45 LEU HD12 H 1 0.751 0.02 . 2 . . . . A 44 LEU HD12 . 30370 1 458 . 1 1 45 45 LEU HD13 H 1 0.751 0.02 . 2 . . . . A 44 LEU HD13 . 30370 1 459 . 1 1 45 45 LEU HD21 H 1 0.471 0.02 . 2 . . . . A 44 LEU HD21 . 30370 1 460 . 1 1 45 45 LEU HD22 H 1 0.471 0.02 . 2 . . . . A 44 LEU HD22 . 30370 1 461 . 1 1 45 45 LEU HD23 H 1 0.471 0.02 . 2 . . . . A 44 LEU HD23 . 30370 1 462 . 1 1 45 45 LEU CA C 13 53.007 0.3 . 1 . . . . A 44 LEU CA . 30370 1 463 . 1 1 45 45 LEU CB C 13 43.031 0.3 . 1 . . . . A 44 LEU CB . 30370 1 464 . 1 1 45 45 LEU CG C 13 27.157 0.3 . 1 . . . . A 44 LEU CG . 30370 1 465 . 1 1 45 45 LEU CD1 C 13 23.805 0.3 . 2 . . . . A 44 LEU CD1 . 30370 1 466 . 1 1 45 45 LEU CD2 C 13 23.579 0.3 . 2 . . . . A 44 LEU CD2 . 30370 1 467 . 1 1 45 45 LEU N N 15 120.699 0.25 . 1 . . . . A 44 LEU N . 30370 1 468 . 1 1 48 48 LEU H H 1 8.937 0.02 . 1 . . . . A 47 LEU H . 30370 1 469 . 1 1 48 48 LEU HA H 1 4.295 0.02 . 1 . . . . A 47 LEU HA . 30370 1 470 . 1 1 48 48 LEU HB2 H 1 1.195 0.02 . 2 . . . . A 47 LEU HB2 . 30370 1 471 . 1 1 48 48 LEU HB3 H 1 1.338 0.02 . 2 . . . . A 47 LEU HB3 . 30370 1 472 . 1 1 48 48 LEU HG H 1 1.301 0.02 . 1 . . . . A 47 LEU HG . 30370 1 473 . 1 1 48 48 LEU HD11 H 1 0.515 0.02 . 2 . . . . A 47 LEU HD11 . 30370 1 474 . 1 1 48 48 LEU HD12 H 1 0.515 0.02 . 2 . . . . A 47 LEU HD12 . 30370 1 475 . 1 1 48 48 LEU HD13 H 1 0.515 0.02 . 2 . . . . A 47 LEU HD13 . 30370 1 476 . 1 1 48 48 LEU HD21 H 1 0.718 0.02 . 2 . . . . A 47 LEU HD21 . 30370 1 477 . 1 1 48 48 LEU HD22 H 1 0.718 0.02 . 2 . . . . A 47 LEU HD22 . 30370 1 478 . 1 1 48 48 LEU HD23 H 1 0.718 0.02 . 2 . . . . A 47 LEU HD23 . 30370 1 479 . 1 1 48 48 LEU C C 13 178.318 0.3 . 1 . . . . A 47 LEU C . 30370 1 480 . 1 1 48 48 LEU CA C 13 55.081 0.3 . 1 . . . . A 47 LEU CA . 30370 1 481 . 1 1 48 48 LEU CB C 13 42.948 0.3 . 1 . . . . A 47 LEU CB . 30370 1 482 . 1 1 48 48 LEU CG C 13 27.033 0.3 . 1 . . . . A 47 LEU CG . 30370 1 483 . 1 1 48 48 LEU CD1 C 13 22.806 0.3 . 2 . . . . A 47 LEU CD1 . 30370 1 484 . 1 1 48 48 LEU CD2 C 13 25.591 0.3 . 2 . . . . A 47 LEU CD2 . 30370 1 485 . 1 1 48 48 LEU N N 15 124.266 0.25 . 1 . . . . A 47 LEU N . 30370 1 486 . 1 1 49 49 SER H H 1 7.363 0.02 . 1 . . . . A 48 SER H . 30370 1 487 . 1 1 49 49 SER HA H 1 4.35 0.02 . 1 . . . . A 48 SER HA . 30370 1 488 . 1 1 49 49 SER HB2 H 1 3.449 0.02 . 2 . . . . A 48 SER HB2 . 30370 1 489 . 1 1 49 49 SER HB3 H 1 3.604 0.02 . 2 . . . . A 48 SER HB3 . 30370 1 490 . 1 1 49 49 SER C C 13 176.617 0.3 . 1 . . . . A 48 SER C . 30370 1 491 . 1 1 49 49 SER CA C 13 55.397 0.3 . 1 . . . . A 48 SER CA . 30370 1 492 . 1 1 49 49 SER CB C 13 64.765 0.3 . 1 . . . . A 48 SER CB . 30370 1 493 . 1 1 49 49 SER N N 15 111.805 0.25 . 1 . . . . A 48 SER N . 30370 1 494 . 1 1 50 50 PRO HA H 1 4.775 0.02 . 1 . . . . A 49 PRO HA . 30370 1 495 . 1 1 50 50 PRO HB2 H 1 2.127 0.02 . 2 . . . . A 49 PRO HB2 . 30370 1 496 . 1 1 50 50 PRO HB3 H 1 2.336 0.02 . 2 . . . . A 49 PRO HB3 . 30370 1 497 . 1 1 50 50 PRO HG2 H 1 1.823 0.02 . 2 . . . . A 49 PRO HG2 . 30370 1 498 . 1 1 50 50 PRO HD2 H 1 3.539 0.02 . 2 . . . . A 49 PRO HD2 . 30370 1 499 . 1 1 50 50 PRO C C 13 176.664 0.3 . 1 . . . . A 49 PRO C . 30370 1 500 . 1 1 50 50 PRO CA C 13 62.774 0.3 . 1 . . . . A 49 PRO CA . 30370 1 501 . 1 1 50 50 PRO CB C 13 34.375 0.3 . 1 . . . . A 49 PRO CB . 30370 1 502 . 1 1 50 50 PRO CG C 13 24.831 0.3 . 1 . . . . A 49 PRO CG . 30370 1 503 . 1 1 50 50 PRO CD C 13 49.859 0.3 . 1 . . . . A 49 PRO CD . 30370 1 504 . 1 1 51 51 ASP H H 1 7.989 0.02 . 1 . . . . A 50 ASP H . 30370 1 505 . 1 1 51 51 ASP HA H 1 4.675 0.02 . 1 . . . . A 50 ASP HA . 30370 1 506 . 1 1 51 51 ASP HB2 H 1 2.586 0.02 . 2 . . . . A 50 ASP HB2 . 30370 1 507 . 1 1 51 51 ASP HB3 H 1 2.877 0.02 . 2 . . . . A 50 ASP HB3 . 30370 1 508 . 1 1 51 51 ASP C C 13 177.698 0.3 . 1 . . . . A 50 ASP C . 30370 1 509 . 1 1 51 51 ASP CA C 13 52.212 0.3 . 1 . . . . A 50 ASP CA . 30370 1 510 . 1 1 51 51 ASP CB C 13 42.839 0.3 . 1 . . . . A 50 ASP CB . 30370 1 511 . 1 1 51 51 ASP N N 15 115.592 0.25 . 1 . . . . A 50 ASP N . 30370 1 512 . 1 1 52 52 GLY H H 1 8.414 0.02 . 1 . . . . A 51 GLY H . 30370 1 513 . 1 1 52 52 GLY HA2 H 1 3.968 0.02 . 2 . . . . A 51 GLY HA2 . 30370 1 514 . 1 1 52 52 GLY HA3 H 1 3.968 0.02 . 2 . . . . A 51 GLY HA3 . 30370 1 515 . 1 1 52 52 GLY C C 13 177.235 0.3 . 1 . . . . A 51 GLY C . 30370 1 516 . 1 1 52 52 GLY CA C 13 46.095 0.3 . 1 . . . . A 51 GLY CA . 30370 1 517 . 1 1 52 52 GLY N N 15 105.986 0.25 . 1 . . . . A 51 GLY N . 30370 1 518 . 1 1 53 53 ASP H H 1 8.82 0.02 . 1 . . . . A 52 ASP H . 30370 1 519 . 1 1 53 53 ASP HA H 1 4.524 0.02 . 1 . . . . A 52 ASP HA . 30370 1 520 . 1 1 53 53 ASP HB2 H 1 2.615 0.02 . 2 . . . . A 52 ASP HB2 . 30370 1 521 . 1 1 53 53 ASP HB3 H 1 2.72 0.02 . 2 . . . . A 52 ASP HB3 . 30370 1 522 . 1 1 53 53 ASP C C 13 179.29 0.3 . 1 . . . . A 52 ASP C . 30370 1 523 . 1 1 53 53 ASP CA C 13 57.331 0.3 . 1 . . . . A 52 ASP CA . 30370 1 524 . 1 1 53 53 ASP CB C 13 40.689 0.3 . 1 . . . . A 52 ASP CB . 30370 1 525 . 1 1 53 53 ASP N N 15 122.618 0.25 . 1 . . . . A 52 ASP N . 30370 1 526 . 1 1 54 54 ASN H H 1 8.546 0.02 . 1 . . . . A 53 ASN H . 30370 1 527 . 1 1 54 54 ASN HA H 1 4.682 0.02 . 1 . . . . A 53 ASN HA . 30370 1 528 . 1 1 54 54 ASN HB2 H 1 2.709 0.02 . 2 . . . . A 53 ASN HB2 . 30370 1 529 . 1 1 54 54 ASN HB3 H 1 2.855 0.02 . 2 . . . . A 53 ASN HB3 . 30370 1 530 . 1 1 54 54 ASN HD21 H 1 7.59 0.02 . 2 . . . . A 53 ASN HD21 . 30370 1 531 . 1 1 54 54 ASN HD22 H 1 6.907 0.02 . 2 . . . . A 53 ASN HD22 . 30370 1 532 . 1 1 54 54 ASN C C 13 177.104 0.3 . 1 . . . . A 53 ASN C . 30370 1 533 . 1 1 54 54 ASN CA C 13 54.381 0.3 . 1 . . . . A 53 ASN CA . 30370 1 534 . 1 1 54 54 ASN CB C 13 38.277 0.3 . 1 . . . . A 53 ASN CB . 30370 1 535 . 1 1 54 54 ASN N N 15 115.607 0.25 . 1 . . . . A 53 ASN N . 30370 1 536 . 1 1 54 54 ASN ND2 N 15 111.523 0.25 . 1 . . . . A 53 ASN ND2 . 30370 1 537 . 1 1 55 55 ALA H H 1 7.483 0.02 . 1 . . . . A 54 ALA H . 30370 1 538 . 1 1 55 55 ALA HA H 1 3.59 0.02 . 1 . . . . A 54 ALA HA . 30370 1 539 . 1 1 55 55 ALA HB1 H 1 1.194 0.02 . 1 . . . . A 54 ALA HB1 . 30370 1 540 . 1 1 55 55 ALA HB2 H 1 1.194 0.02 . 1 . . . . A 54 ALA HB2 . 30370 1 541 . 1 1 55 55 ALA HB3 H 1 1.194 0.02 . 1 . . . . A 54 ALA HB3 . 30370 1 542 . 1 1 55 55 ALA C C 13 179.743 0.3 . 1 . . . . A 54 ALA C . 30370 1 543 . 1 1 55 55 ALA CA C 13 55.191 0.3 . 1 . . . . A 54 ALA CA . 30370 1 544 . 1 1 55 55 ALA CB C 13 18.933 0.3 . 1 . . . . A 54 ALA CB . 30370 1 545 . 1 1 55 55 ALA N N 15 121.518 0.25 . 1 . . . . A 54 ALA N . 30370 1 546 . 1 1 56 56 TRP H H 1 7.52 0.02 . 1 . . . . A 55 TRP H . 30370 1 547 . 1 1 56 56 TRP HA H 1 3.638 0.02 . 1 . . . . A 55 TRP HA . 30370 1 548 . 1 1 56 56 TRP HB2 H 1 3.203 0.02 . 2 . . . . A 55 TRP HB2 . 30370 1 549 . 1 1 56 56 TRP HB3 H 1 3.182 0.02 . 2 . . . . A 55 TRP HB3 . 30370 1 550 . 1 1 56 56 TRP HD1 H 1 7.456 0.02 . 1 . . . . A 55 TRP HD1 . 30370 1 551 . 1 1 56 56 TRP HE1 H 1 10.306 0.02 . 1 . . . . A 55 TRP HE1 . 30370 1 552 . 1 1 56 56 TRP HE3 H 1 7.315 0.02 . 1 . . . . A 55 TRP HE3 . 30370 1 553 . 1 1 56 56 TRP HZ2 H 1 7.188 0.02 . 1 . . . . A 55 TRP HZ2 . 30370 1 554 . 1 1 56 56 TRP HZ3 H 1 6.848 0.02 . 1 . . . . A 55 TRP HZ3 . 30370 1 555 . 1 1 56 56 TRP HH2 H 1 6.833 0.02 . 1 . . . . A 55 TRP HH2 . 30370 1 556 . 1 1 56 56 TRP C C 13 178.436 0.3 . 1 . . . . A 55 TRP C . 30370 1 557 . 1 1 56 56 TRP CA C 13 61.283 0.3 . 1 . . . . A 55 TRP CA . 30370 1 558 . 1 1 56 56 TRP CB C 13 27.939 0.3 . 1 . . . . A 55 TRP CB . 30370 1 559 . 1 1 56 56 TRP CD1 C 13 127.392 0.3 . 1 . . . . A 55 TRP CD1 . 30370 1 560 . 1 1 56 56 TRP CE3 C 13 120.446 0.3 . 1 . . . . A 55 TRP CE3 . 30370 1 561 . 1 1 56 56 TRP CZ2 C 13 114.129 0.3 . 1 . . . . A 55 TRP CZ2 . 30370 1 562 . 1 1 56 56 TRP CZ3 C 13 122.39 0.3 . 1 . . . . A 55 TRP CZ3 . 30370 1 563 . 1 1 56 56 TRP CH2 C 13 124.052 0.3 . 1 . . . . A 55 TRP CH2 . 30370 1 564 . 1 1 56 56 TRP N N 15 115.484 0.25 . 1 . . . . A 55 TRP N . 30370 1 565 . 1 1 56 56 TRP NE1 N 15 129.044 0.25 . 1 . . . . A 55 TRP NE1 . 30370 1 566 . 1 1 57 57 SER H H 1 7.791 0.02 . 1 . . . . A 56 SER H . 30370 1 567 . 1 1 57 57 SER HA H 1 4.249 0.02 . 1 . . . . A 56 SER HA . 30370 1 568 . 1 1 57 57 SER HB2 H 1 3.947 0.02 . 2 . . . . A 56 SER HB2 . 30370 1 569 . 1 1 57 57 SER HB3 H 1 3.981 0.02 . 2 . . . . A 56 SER HB3 . 30370 1 570 . 1 1 57 57 SER C C 13 178.845 0.3 . 1 . . . . A 56 SER C . 30370 1 571 . 1 1 57 57 SER CA C 13 61.339 0.3 . 1 . . . . A 56 SER CA . 30370 1 572 . 1 1 57 57 SER CB C 13 62.623 0.3 . 1 . . . . A 56 SER CB . 30370 1 573 . 1 1 57 57 SER N N 15 112.525 0.25 . 1 . . . . A 56 SER N . 30370 1 574 . 1 1 58 58 VAL H H 1 7.842 0.02 . 1 . . . . A 57 VAL H . 30370 1 575 . 1 1 58 58 VAL HA H 1 3.524 0.02 . 1 . . . . A 57 VAL HA . 30370 1 576 . 1 1 58 58 VAL HB H 1 1.972 0.02 . 1 . . . . A 57 VAL HB . 30370 1 577 . 1 1 58 58 VAL HG11 H 1 0.769 0.02 . 2 . . . . A 57 VAL HG11 . 30370 1 578 . 1 1 58 58 VAL HG12 H 1 0.769 0.02 . 2 . . . . A 57 VAL HG12 . 30370 1 579 . 1 1 58 58 VAL HG13 H 1 0.769 0.02 . 2 . . . . A 57 VAL HG13 . 30370 1 580 . 1 1 58 58 VAL HG21 H 1 0.929 0.02 . 2 . . . . A 57 VAL HG21 . 30370 1 581 . 1 1 58 58 VAL HG22 H 1 0.929 0.02 . 2 . . . . A 57 VAL HG22 . 30370 1 582 . 1 1 58 58 VAL HG23 H 1 0.929 0.02 . 2 . . . . A 57 VAL HG23 . 30370 1 583 . 1 1 58 58 VAL C C 13 178.925 0.3 . 1 . . . . A 57 VAL C . 30370 1 584 . 1 1 58 58 VAL CA C 13 66.702 0.3 . 1 . . . . A 57 VAL CA . 30370 1 585 . 1 1 58 58 VAL CB C 13 31.626 0.3 . 1 . . . . A 57 VAL CB . 30370 1 586 . 1 1 58 58 VAL CG1 C 13 21.16 0.3 . 2 . . . . A 57 VAL CG1 . 30370 1 587 . 1 1 58 58 VAL CG2 C 13 22.628 0.3 . 2 . . . . A 57 VAL CG2 . 30370 1 588 . 1 1 58 58 VAL N N 15 120.834 0.25 . 1 . . . . A 57 VAL N . 30370 1 589 . 1 1 59 59 MET H H 1 8.067 0.02 . 1 . . . . A 58 MET H . 30370 1 590 . 1 1 59 59 MET HA H 1 4.005 0.02 . 1 . . . . A 58 MET HA . 30370 1 591 . 1 1 59 59 MET HB2 H 1 1.533 0.02 . 2 . . . . A 58 MET HB2 . 30370 1 592 . 1 1 59 59 MET HB3 H 1 1.586 0.02 . 2 . . . . A 58 MET HB3 . 30370 1 593 . 1 1 59 59 MET HG2 H 1 1.953 0.02 . 2 . . . . A 58 MET HG2 . 30370 1 594 . 1 1 59 59 MET HG3 H 1 1.618 0.02 . 2 . . . . A 58 MET HG3 . 30370 1 595 . 1 1 59 59 MET HE1 H 1 1.709 0.02 . 1 . . . . A 58 MET HE1 . 30370 1 596 . 1 1 59 59 MET HE2 H 1 1.709 0.02 . 1 . . . . A 58 MET HE2 . 30370 1 597 . 1 1 59 59 MET HE3 H 1 1.709 0.02 . 1 . . . . A 58 MET HE3 . 30370 1 598 . 1 1 59 59 MET C C 13 179.995 0.3 . 1 . . . . A 58 MET C . 30370 1 599 . 1 1 59 59 MET CA C 13 58.064 0.3 . 1 . . . . A 58 MET CA . 30370 1 600 . 1 1 59 59 MET CB C 13 31.708 0.3 . 1 . . . . A 58 MET CB . 30370 1 601 . 1 1 59 59 MET CG C 13 31.992 0.3 . 1 . . . . A 58 MET CG . 30370 1 602 . 1 1 59 59 MET CE C 13 18.779 0.3 . 1 . . . . A 58 MET CE . 30370 1 603 . 1 1 59 59 MET N N 15 116.902 0.25 . 1 . . . . A 58 MET N . 30370 1 604 . 1 1 60 60 TYR H H 1 8.488 0.02 . 1 . . . . A 59 TYR H . 30370 1 605 . 1 1 60 60 TYR HA H 1 4.413 0.02 . 1 . . . . A 59 TYR HA . 30370 1 606 . 1 1 60 60 TYR HB2 H 1 3.12 0.02 . 2 . . . . A 59 TYR HB2 . 30370 1 607 . 1 1 60 60 TYR HB3 H 1 3.02 0.02 . 2 . . . . A 59 TYR HB3 . 30370 1 608 . 1 1 60 60 TYR HD1 H 1 7.189 0.02 . 3 . . . . A 59 TYR HD1 . 30370 1 609 . 1 1 60 60 TYR HD2 H 1 7.189 0.02 . 3 . . . . A 59 TYR HD2 . 30370 1 610 . 1 1 60 60 TYR HE1 H 1 6.87 0.02 . 3 . . . . A 59 TYR HE1 . 30370 1 611 . 1 1 60 60 TYR HE2 H 1 6.87 0.02 . 3 . . . . A 59 TYR HE2 . 30370 1 612 . 1 1 60 60 TYR C C 13 180.578 0.3 . 1 . . . . A 59 TYR C . 30370 1 613 . 1 1 60 60 TYR CA C 13 61.384 0.3 . 1 . . . . A 59 TYR CA . 30370 1 614 . 1 1 60 60 TYR CB C 13 37.123 0.3 . 1 . . . . A 59 TYR CB . 30370 1 615 . 1 1 60 60 TYR CD1 C 13 132.955 0.3 . 3 . . . . A 59 TYR CD1 . 30370 1 616 . 1 1 60 60 TYR CE1 C 13 117.883 0.3 . 3 . . . . A 59 TYR CE1 . 30370 1 617 . 1 1 60 60 TYR N N 15 117.599 0.25 . 1 . . . . A 59 TYR N . 30370 1 618 . 1 1 61 61 LYS H H 1 7.769 0.02 . 1 . . . . A 60 LYS H . 30370 1 619 . 1 1 61 61 LYS HA H 1 4.061 0.02 . 1 . . . . A 60 LYS HA . 30370 1 620 . 1 1 61 61 LYS HB2 H 1 1.905 0.02 . 2 . . . . A 60 LYS HB2 . 30370 1 621 . 1 1 61 61 LYS HB3 H 1 2.056 0.02 . 2 . . . . A 60 LYS HB3 . 30370 1 622 . 1 1 61 61 LYS HG2 H 1 1.637 0.02 . 2 . . . . A 60 LYS HG2 . 30370 1 623 . 1 1 61 61 LYS HG3 H 1 1.428 0.02 . 2 . . . . A 60 LYS HG3 . 30370 1 624 . 1 1 61 61 LYS HD2 H 1 1.664 0.02 . 2 . . . . A 60 LYS HD2 . 30370 1 625 . 1 1 61 61 LYS HE2 H 1 2.925 0.02 . 2 . . . . A 60 LYS HE2 . 30370 1 626 . 1 1 61 61 LYS C C 13 180.766 0.3 . 1 . . . . A 60 LYS C . 30370 1 627 . 1 1 61 61 LYS CA C 13 59.324 0.3 . 1 . . . . A 60 LYS CA . 30370 1 628 . 1 1 61 61 LYS CB C 13 31.973 0.3 . 1 . . . . A 60 LYS CB . 30370 1 629 . 1 1 61 61 LYS CG C 13 25.216 0.3 . 1 . . . . A 60 LYS CG . 30370 1 630 . 1 1 61 61 LYS CD C 13 29.16 0.3 . 1 . . . . A 60 LYS CD . 30370 1 631 . 1 1 61 61 LYS CE C 13 42.125 0.3 . 1 . . . . A 60 LYS CE . 30370 1 632 . 1 1 61 61 LYS N N 15 121.017 0.25 . 1 . . . . A 60 LYS N . 30370 1 633 . 1 1 62 62 LEU H H 1 8.248 0.02 . 1 . . . . A 61 LEU H . 30370 1 634 . 1 1 62 62 LEU HA H 1 3.687 0.02 . 1 . . . . A 61 LEU HA . 30370 1 635 . 1 1 62 62 LEU HB2 H 1 1.917 0.02 . 2 . . . . A 61 LEU HB2 . 30370 1 636 . 1 1 62 62 LEU HB3 H 1 1.052 0.02 . 2 . . . . A 61 LEU HB3 . 30370 1 637 . 1 1 62 62 LEU HG H 1 1.897 0.02 . 1 . . . . A 61 LEU HG . 30370 1 638 . 1 1 62 62 LEU HD11 H 1 0.657 0.02 . 2 . . . . A 61 LEU HD11 . 30370 1 639 . 1 1 62 62 LEU HD12 H 1 0.657 0.02 . 2 . . . . A 61 LEU HD12 . 30370 1 640 . 1 1 62 62 LEU HD13 H 1 0.657 0.02 . 2 . . . . A 61 LEU HD13 . 30370 1 641 . 1 1 62 62 LEU HD21 H 1 0.565 0.02 . 2 . . . . A 61 LEU HD21 . 30370 1 642 . 1 1 62 62 LEU HD22 H 1 0.565 0.02 . 2 . . . . A 61 LEU HD22 . 30370 1 643 . 1 1 62 62 LEU HD23 H 1 0.565 0.02 . 2 . . . . A 61 LEU HD23 . 30370 1 644 . 1 1 62 62 LEU C C 13 179.35 0.3 . 1 . . . . A 61 LEU C . 30370 1 645 . 1 1 62 62 LEU CA C 13 57.55 0.3 . 1 . . . . A 61 LEU CA . 30370 1 646 . 1 1 62 62 LEU CB C 13 40.328 0.3 . 1 . . . . A 61 LEU CB . 30370 1 647 . 1 1 62 62 LEU CG C 13 26.641 0.3 . 1 . . . . A 61 LEU CG . 30370 1 648 . 1 1 62 62 LEU CD1 C 13 25.12 0.3 . 2 . . . . A 61 LEU CD1 . 30370 1 649 . 1 1 62 62 LEU CD2 C 13 22.18 0.3 . 2 . . . . A 61 LEU CD2 . 30370 1 650 . 1 1 62 62 LEU N N 15 119.376 0.25 . 1 . . . . A 61 LEU N . 30370 1 651 . 1 1 63 63 SER H H 1 8.371 0.02 . 1 . . . . A 62 SER H . 30370 1 652 . 1 1 63 63 SER HA H 1 4.14 0.02 . 1 . . . . A 62 SER HA . 30370 1 653 . 1 1 63 63 SER HB2 H 1 3.887 0.02 . 2 . . . . A 62 SER HB2 . 30370 1 654 . 1 1 63 63 SER HB3 H 1 3.797 0.02 . 2 . . . . A 62 SER HB3 . 30370 1 655 . 1 1 63 63 SER C C 13 178.583 0.3 . 1 . . . . A 62 SER C . 30370 1 656 . 1 1 63 63 SER CA C 13 61.005 0.3 . 1 . . . . A 62 SER CA . 30370 1 657 . 1 1 63 63 SER CB C 13 62.681 0.3 . 1 . . . . A 62 SER CB . 30370 1 658 . 1 1 63 63 SER N N 15 112.997 0.25 . 1 . . . . A 62 SER N . 30370 1 659 . 1 1 64 64 GLN H H 1 7.696 0.02 . 1 . . . . A 63 GLN H . 30370 1 660 . 1 1 64 64 GLN HA H 1 3.927 0.02 . 1 . . . . A 63 GLN HA . 30370 1 661 . 1 1 64 64 GLN HB2 H 1 2.104 0.02 . 2 . . . . A 63 GLN HB2 . 30370 1 662 . 1 1 64 64 GLN HB3 H 1 2.068 0.02 . 2 . . . . A 63 GLN HB3 . 30370 1 663 . 1 1 64 64 GLN HG2 H 1 2.249 0.02 . 2 . . . . A 63 GLN HG2 . 30370 1 664 . 1 1 64 64 GLN HG3 H 1 2.283 0.02 . 2 . . . . A 63 GLN HG3 . 30370 1 665 . 1 1 64 64 GLN C C 13 178.351 0.3 . 1 . . . . A 63 GLN C . 30370 1 666 . 1 1 64 64 GLN CA C 13 58.189 0.3 . 1 . . . . A 63 GLN CA . 30370 1 667 . 1 1 64 64 GLN CB C 13 28.246 0.3 . 1 . . . . A 63 GLN CB . 30370 1 668 . 1 1 64 64 GLN CG C 13 33.925 0.3 . 1 . . . . A 63 GLN CG . 30370 1 669 . 1 1 64 64 GLN N N 15 121.719 0.25 . 1 . . . . A 63 GLN N . 30370 1 670 . 1 1 65 65 ALA H H 1 7.468 0.02 . 1 . . . . A 64 ALA H . 30370 1 671 . 1 1 65 65 ALA HA H 1 4.079 0.02 . 1 . . . . A 64 ALA HA . 30370 1 672 . 1 1 65 65 ALA HB1 H 1 0.804 0.02 . 1 . . . . A 64 ALA HB1 . 30370 1 673 . 1 1 65 65 ALA HB2 H 1 0.804 0.02 . 1 . . . . A 64 ALA HB2 . 30370 1 674 . 1 1 65 65 ALA HB3 H 1 0.804 0.02 . 1 . . . . A 64 ALA HB3 . 30370 1 675 . 1 1 65 65 ALA C C 13 181.846 0.3 . 1 . . . . A 64 ALA C . 30370 1 676 . 1 1 65 65 ALA CA C 13 54.503 0.3 . 1 . . . . A 64 ALA CA . 30370 1 677 . 1 1 65 65 ALA CB C 13 16.485 0.3 . 1 . . . . A 64 ALA CB . 30370 1 678 . 1 1 65 65 ALA N N 15 120.369 0.25 . 1 . . . . A 64 ALA N . 30370 1 679 . 1 1 66 66 LEU H H 1 7.475 0.02 . 1 . . . . A 65 LEU H . 30370 1 680 . 1 1 66 66 LEU HA H 1 4.057 0.02 . 1 . . . . A 65 LEU HA . 30370 1 681 . 1 1 66 66 LEU HB2 H 1 1.514 0.02 . 2 . . . . A 65 LEU HB2 . 30370 1 682 . 1 1 66 66 LEU HB3 H 1 2.066 0.02 . 2 . . . . A 65 LEU HB3 . 30370 1 683 . 1 1 66 66 LEU HG H 1 1.719 0.02 . 1 . . . . A 65 LEU HG . 30370 1 684 . 1 1 66 66 LEU HD11 H 1 0.665 0.02 . 2 . . . . A 65 LEU HD11 . 30370 1 685 . 1 1 66 66 LEU HD12 H 1 0.665 0.02 . 2 . . . . A 65 LEU HD12 . 30370 1 686 . 1 1 66 66 LEU HD13 H 1 0.665 0.02 . 2 . . . . A 65 LEU HD13 . 30370 1 687 . 1 1 66 66 LEU HD21 H 1 0.712 0.02 . 2 . . . . A 65 LEU HD21 . 30370 1 688 . 1 1 66 66 LEU HD22 H 1 0.712 0.02 . 2 . . . . A 65 LEU HD22 . 30370 1 689 . 1 1 66 66 LEU HD23 H 1 0.712 0.02 . 2 . . . . A 65 LEU HD23 . 30370 1 690 . 1 1 66 66 LEU C C 13 180.017 0.3 . 1 . . . . A 65 LEU C . 30370 1 691 . 1 1 66 66 LEU CA C 13 57.019 0.3 . 1 . . . . A 65 LEU CA . 30370 1 692 . 1 1 66 66 LEU CB C 13 39.706 0.3 . 1 . . . . A 65 LEU CB . 30370 1 693 . 1 1 66 66 LEU CG C 13 26.731 0.3 . 1 . . . . A 65 LEU CG . 30370 1 694 . 1 1 66 66 LEU CD1 C 13 23.678 0.3 . 2 . . . . A 65 LEU CD1 . 30370 1 695 . 1 1 66 66 LEU CD2 C 13 25.9 0.3 . 2 . . . . A 65 LEU CD2 . 30370 1 696 . 1 1 66 66 LEU N N 15 116.457 0.25 . 1 . . . . A 65 LEU N . 30370 1 697 . 1 1 67 67 SER H H 1 8.398 0.02 . 1 . . . . A 66 SER H . 30370 1 698 . 1 1 67 67 SER HA H 1 4.085 0.02 . 1 . . . . A 66 SER HA . 30370 1 699 . 1 1 67 67 SER HB2 H 1 3.947 0.02 . 2 . . . . A 66 SER HB2 . 30370 1 700 . 1 1 67 67 SER HB3 H 1 3.975 0.02 . 2 . . . . A 66 SER HB3 . 30370 1 701 . 1 1 67 67 SER C C 13 179.803 0.3 . 1 . . . . A 66 SER C . 30370 1 702 . 1 1 67 67 SER CA C 13 61.749 0.3 . 1 . . . . A 66 SER CA . 30370 1 703 . 1 1 67 67 SER CB C 13 62.379 0.3 . 1 . . . . A 66 SER CB . 30370 1 704 . 1 1 67 67 SER N N 15 117.915 0.25 . 1 . . . . A 66 SER N . 30370 1 705 . 1 1 68 68 ASP H H 1 8.102 0.02 . 1 . . . . A 67 ASP H . 30370 1 706 . 1 1 68 68 ASP HA H 1 4.399 0.02 . 1 . . . . A 67 ASP HA . 30370 1 707 . 1 1 68 68 ASP HB2 H 1 2.733 0.02 . 2 . . . . A 67 ASP HB2 . 30370 1 708 . 1 1 68 68 ASP HB3 H 1 2.643 0.02 . 2 . . . . A 67 ASP HB3 . 30370 1 709 . 1 1 68 68 ASP C C 13 178.72 0.3 . 1 . . . . A 67 ASP C . 30370 1 710 . 1 1 68 68 ASP CA C 13 57.101 0.3 . 1 . . . . A 67 ASP CA . 30370 1 711 . 1 1 68 68 ASP CB C 13 41.19 0.3 . 1 . . . . A 67 ASP CB . 30370 1 712 . 1 1 68 68 ASP N N 15 120.03 0.25 . 1 . . . . A 67 ASP N . 30370 1 713 . 1 1 69 69 ILE H H 1 7.091 0.02 . 1 . . . . A 68 ILE H . 30370 1 714 . 1 1 69 69 ILE HA H 1 4.63 0.02 . 1 . . . . A 68 ILE HA . 30370 1 715 . 1 1 69 69 ILE HB H 1 2.158 0.02 . 1 . . . . A 68 ILE HB . 30370 1 716 . 1 1 69 69 ILE HG12 H 1 1.103 0.02 . 2 . . . . A 68 ILE HG12 . 30370 1 717 . 1 1 69 69 ILE HG13 H 1 1.571 0.02 . 2 . . . . A 68 ILE HG13 . 30370 1 718 . 1 1 69 69 ILE HG21 H 1 0.818 0.02 . 1 . . . . A 68 ILE HG21 . 30370 1 719 . 1 1 69 69 ILE HG22 H 1 0.818 0.02 . 1 . . . . A 68 ILE HG22 . 30370 1 720 . 1 1 69 69 ILE HG23 H 1 0.818 0.02 . 1 . . . . A 68 ILE HG23 . 30370 1 721 . 1 1 69 69 ILE HD11 H 1 0.767 0.02 . 1 . . . . A 68 ILE HD11 . 30370 1 722 . 1 1 69 69 ILE HD12 H 1 0.767 0.02 . 1 . . . . A 68 ILE HD12 . 30370 1 723 . 1 1 69 69 ILE HD13 H 1 0.767 0.02 . 1 . . . . A 68 ILE HD13 . 30370 1 724 . 1 1 69 69 ILE C C 13 175.273 0.3 . 1 . . . . A 68 ILE C . 30370 1 725 . 1 1 69 69 ILE CA C 13 60.593 0.3 . 1 . . . . A 68 ILE CA . 30370 1 726 . 1 1 69 69 ILE CB C 13 37.475 0.3 . 1 . . . . A 68 ILE CB . 30370 1 727 . 1 1 69 69 ILE CG1 C 13 27.781 0.3 . 1 . . . . A 68 ILE CG1 . 30370 1 728 . 1 1 69 69 ILE CG2 C 13 17.642 0.3 . 1 . . . . A 68 ILE CG2 . 30370 1 729 . 1 1 69 69 ILE CD1 C 13 16.152 0.3 . 1 . . . . A 68 ILE CD1 . 30370 1 730 . 1 1 69 69 ILE N N 15 109.303 0.25 . 1 . . . . A 68 ILE N . 30370 1 731 . 1 1 70 70 GLU H H 1 7.83 0.02 . 1 . . . . A 69 GLU H . 30370 1 732 . 1 1 70 70 GLU HA H 1 3.737 0.02 . 1 . . . . A 69 GLU HA . 30370 1 733 . 1 1 70 70 GLU HB2 H 1 2.188 0.02 . 2 . . . . A 69 GLU HB2 . 30370 1 734 . 1 1 70 70 GLU HB3 H 1 2.15 0.02 . 2 . . . . A 69 GLU HB3 . 30370 1 735 . 1 1 70 70 GLU HG2 H 1 2.056 0.02 . 2 . . . . A 69 GLU HG2 . 30370 1 736 . 1 1 70 70 GLU C C 13 176.313 0.3 . 1 . . . . A 69 GLU C . 30370 1 737 . 1 1 70 70 GLU CA C 13 57.198 0.3 . 1 . . . . A 69 GLU CA . 30370 1 738 . 1 1 70 70 GLU CB C 13 26.427 0.3 . 1 . . . . A 69 GLU CB . 30370 1 739 . 1 1 70 70 GLU CG C 13 36.862 0.3 . 1 . . . . A 69 GLU CG . 30370 1 740 . 1 1 70 70 GLU N N 15 113.736 0.25 . 1 . . . . A 69 GLU N . 30370 1 741 . 1 1 71 71 VAL H H 1 7.634 0.02 . 1 . . . . A 70 VAL H . 30370 1 742 . 1 1 71 71 VAL HA H 1 4.371 0.02 . 1 . . . . A 70 VAL HA . 30370 1 743 . 1 1 71 71 VAL HB H 1 1.784 0.02 . 1 . . . . A 70 VAL HB . 30370 1 744 . 1 1 71 71 VAL HG11 H 1 0.834 0.02 . 2 . . . . A 70 VAL HG11 . 30370 1 745 . 1 1 71 71 VAL HG12 H 1 0.834 0.02 . 2 . . . . A 70 VAL HG12 . 30370 1 746 . 1 1 71 71 VAL HG13 H 1 0.834 0.02 . 2 . . . . A 70 VAL HG13 . 30370 1 747 . 1 1 71 71 VAL HG21 H 1 0.773 0.02 . 2 . . . . A 70 VAL HG21 . 30370 1 748 . 1 1 71 71 VAL HG22 H 1 0.773 0.02 . 2 . . . . A 70 VAL HG22 . 30370 1 749 . 1 1 71 71 VAL HG23 H 1 0.773 0.02 . 2 . . . . A 70 VAL HG23 . 30370 1 750 . 1 1 71 71 VAL C C 13 174.479 0.3 . 1 . . . . A 70 VAL C . 30370 1 751 . 1 1 71 71 VAL CA C 13 59.582 0.3 . 1 . . . . A 70 VAL CA . 30370 1 752 . 1 1 71 71 VAL CB C 13 32.836 0.3 . 1 . . . . A 70 VAL CB . 30370 1 753 . 1 1 71 71 VAL CG1 C 13 21.513 0.3 . 2 . . . . A 70 VAL CG1 . 30370 1 754 . 1 1 71 71 VAL CG2 C 13 21.561 0.3 . 2 . . . . A 70 VAL CG2 . 30370 1 755 . 1 1 71 71 VAL N N 15 120.263 0.25 . 1 . . . . A 70 VAL N . 30370 1 756 . 1 1 72 72 PRO HA H 1 4.361 0.02 . 1 . . . . A 71 PRO HA . 30370 1 757 . 1 1 72 72 PRO HB2 H 1 2.231 0.02 . 2 . . . . A 71 PRO HB2 . 30370 1 758 . 1 1 72 72 PRO HB3 H 1 1.936 0.02 . 2 . . . . A 71 PRO HB3 . 30370 1 759 . 1 1 72 72 PRO HG2 H 1 1.905 0.02 . 2 . . . . A 71 PRO HG2 . 30370 1 760 . 1 1 72 72 PRO HG3 H 1 2.105 0.02 . 2 . . . . A 71 PRO HG3 . 30370 1 761 . 1 1 72 72 PRO HD2 H 1 3.775 0.02 . 2 . . . . A 71 PRO HD2 . 30370 1 762 . 1 1 72 72 PRO HD3 H 1 3.957 0.02 . 2 . . . . A 71 PRO HD3 . 30370 1 763 . 1 1 72 72 PRO C C 13 177.033 0.3 . 1 . . . . A 71 PRO C . 30370 1 764 . 1 1 72 72 PRO CA C 13 62.571 0.3 . 1 . . . . A 71 PRO CA . 30370 1 765 . 1 1 72 72 PRO CB C 13 32.121 0.3 . 1 . . . . A 71 PRO CB . 30370 1 766 . 1 1 72 72 PRO CG C 13 27.301 0.3 . 1 . . . . A 71 PRO CG . 30370 1 767 . 1 1 72 72 PRO CD C 13 51.285 0.3 . 1 . . . . A 71 PRO CD . 30370 1 768 . 1 1 73 73 CYS H H 1 8.005 0.02 . 1 . . . . A 72 CYS H . 30370 1 769 . 1 1 73 73 CYS HA H 1 5.365 0.02 . 1 . . . . A 72 CYS HA . 30370 1 770 . 1 1 73 73 CYS HB2 H 1 2.97 0.02 . 2 . . . . A 72 CYS HB2 . 30370 1 771 . 1 1 73 73 CYS HB3 H 1 2.509 0.02 . 2 . . . . A 72 CYS HB3 . 30370 1 772 . 1 1 73 73 CYS C C 13 174.407 0.3 . 1 . . . . A 72 CYS C . 30370 1 773 . 1 1 73 73 CYS CA C 13 56.459 0.3 . 1 . . . . A 72 CYS CA . 30370 1 774 . 1 1 73 73 CYS CB C 13 30.939 0.3 . 1 . . . . A 72 CYS CB . 30370 1 775 . 1 1 73 73 CYS N N 15 114.885 0.25 . 1 . . . . A 72 CYS N . 30370 1 776 . 1 1 74 74 SER H H 1 8.247 0.02 . 1 . . . . A 73 SER H . 30370 1 777 . 1 1 74 74 SER HA H 1 5.008 0.02 . 1 . . . . A 73 SER HA . 30370 1 778 . 1 1 74 74 SER HB2 H 1 3.619 0.02 . 2 . . . . A 73 SER HB2 . 30370 1 779 . 1 1 74 74 SER HB3 H 1 3.951 0.02 . 2 . . . . A 73 SER HB3 . 30370 1 780 . 1 1 74 74 SER C C 13 173.219 0.3 . 1 . . . . A 73 SER C . 30370 1 781 . 1 1 74 74 SER CA C 13 57.797 0.3 . 1 . . . . A 73 SER CA . 30370 1 782 . 1 1 74 74 SER CB C 13 66.48 0.3 . 1 . . . . A 73 SER CB . 30370 1 783 . 1 1 74 74 SER N N 15 115.108 0.25 . 1 . . . . A 73 SER N . 30370 1 784 . 1 1 75 75 VAL H H 1 8.795 0.02 . 1 . . . . A 74 VAL H . 30370 1 785 . 1 1 75 75 VAL HA H 1 5.048 0.02 . 1 . . . . A 74 VAL HA . 30370 1 786 . 1 1 75 75 VAL HB H 1 2.058 0.02 . 1 . . . . A 74 VAL HB . 30370 1 787 . 1 1 75 75 VAL HG11 H 1 0.765 0.02 . 2 . . . . A 74 VAL HG11 . 30370 1 788 . 1 1 75 75 VAL HG12 H 1 0.765 0.02 . 2 . . . . A 74 VAL HG12 . 30370 1 789 . 1 1 75 75 VAL HG13 H 1 0.765 0.02 . 2 . . . . A 74 VAL HG13 . 30370 1 790 . 1 1 75 75 VAL HG21 H 1 0.637 0.02 . 2 . . . . A 74 VAL HG21 . 30370 1 791 . 1 1 75 75 VAL HG22 H 1 0.637 0.02 . 2 . . . . A 74 VAL HG22 . 30370 1 792 . 1 1 75 75 VAL HG23 H 1 0.637 0.02 . 2 . . . . A 74 VAL HG23 . 30370 1 793 . 1 1 75 75 VAL C C 13 176.369 0.3 . 1 . . . . A 74 VAL C . 30370 1 794 . 1 1 75 75 VAL CA C 13 61.416 0.3 . 1 . . . . A 74 VAL CA . 30370 1 795 . 1 1 75 75 VAL CB C 13 32.327 0.3 . 1 . . . . A 74 VAL CB . 30370 1 796 . 1 1 75 75 VAL CG1 C 13 21.707 0.3 . 2 . . . . A 74 VAL CG1 . 30370 1 797 . 1 1 75 75 VAL CG2 C 13 21.67 0.3 . 2 . . . . A 74 VAL CG2 . 30370 1 798 . 1 1 75 75 VAL N N 15 124.902 0.25 . 1 . . . . A 74 VAL N . 30370 1 799 . 1 1 76 76 LEU H H 1 8.855 0.02 . 1 . . . . A 75 LEU H . 30370 1 800 . 1 1 76 76 LEU HA H 1 4.928 0.02 . 1 . . . . A 75 LEU HA . 30370 1 801 . 1 1 76 76 LEU HB2 H 1 1.669 0.02 . 2 . . . . A 75 LEU HB2 . 30370 1 802 . 1 1 76 76 LEU HB3 H 1 1.594 0.02 . 2 . . . . A 75 LEU HB3 . 30370 1 803 . 1 1 76 76 LEU HG H 1 1.537 0.02 . 1 . . . . A 75 LEU HG . 30370 1 804 . 1 1 76 76 LEU HD11 H 1 0.964 0.02 . 2 . . . . A 75 LEU HD11 . 30370 1 805 . 1 1 76 76 LEU HD12 H 1 0.964 0.02 . 2 . . . . A 75 LEU HD12 . 30370 1 806 . 1 1 76 76 LEU HD13 H 1 0.964 0.02 . 2 . . . . A 75 LEU HD13 . 30370 1 807 . 1 1 76 76 LEU HD21 H 1 0.584 0.02 . 2 . . . . A 75 LEU HD21 . 30370 1 808 . 1 1 76 76 LEU HD22 H 1 0.584 0.02 . 2 . . . . A 75 LEU HD22 . 30370 1 809 . 1 1 76 76 LEU HD23 H 1 0.584 0.02 . 2 . . . . A 75 LEU HD23 . 30370 1 810 . 1 1 76 76 LEU C C 13 176.385 0.3 . 1 . . . . A 75 LEU C . 30370 1 811 . 1 1 76 76 LEU CA C 13 53.361 0.3 . 1 . . . . A 75 LEU CA . 30370 1 812 . 1 1 76 76 LEU CB C 13 46.349 0.3 . 1 . . . . A 75 LEU CB . 30370 1 813 . 1 1 76 76 LEU CG C 13 27.389 0.3 . 1 . . . . A 75 LEU CG . 30370 1 814 . 1 1 76 76 LEU CD1 C 13 24.503 0.3 . 2 . . . . A 75 LEU CD1 . 30370 1 815 . 1 1 76 76 LEU CD2 C 13 25.726 0.3 . 2 . . . . A 75 LEU CD2 . 30370 1 816 . 1 1 76 76 LEU N N 15 125.772 0.25 . 1 . . . . A 75 LEU N . 30370 1 817 . 1 1 77 77 GLU H H 1 8.704 0.02 . 1 . . . . A 76 GLU H . 30370 1 818 . 1 1 77 77 GLU HA H 1 4.359 0.02 . 1 . . . . A 76 GLU HA . 30370 1 819 . 1 1 77 77 GLU HB2 H 1 2.05 0.02 . 2 . . . . A 76 GLU HB2 . 30370 1 820 . 1 1 77 77 GLU HG2 H 1 2.062 0.02 . 2 . . . . A 76 GLU HG2 . 30370 1 821 . 1 1 77 77 GLU C C 13 176.897 0.3 . 1 . . . . A 76 GLU C . 30370 1 822 . 1 1 77 77 GLU CA C 13 57.066 0.3 . 1 . . . . A 76 GLU CA . 30370 1 823 . 1 1 77 77 GLU CB C 13 30.584 0.3 . 1 . . . . A 76 GLU CB . 30370 1 824 . 1 1 77 77 GLU CG C 13 36.878 0.3 . 1 . . . . A 76 GLU CG . 30370 1 825 . 1 1 77 77 GLU N N 15 120.536 0.25 . 1 . . . . A 76 GLU N . 30370 1 826 . 1 1 78 78 CYS H H 1 9.115 0.02 . 1 . . . . A 77 CYS H . 30370 1 827 . 1 1 78 78 CYS HA H 1 4.424 0.02 . 1 . . . . A 77 CYS HA . 30370 1 828 . 1 1 78 78 CYS HB2 H 1 2.733 0.02 . 2 . . . . A 77 CYS HB2 . 30370 1 829 . 1 1 78 78 CYS HB3 H 1 2.543 0.02 . 2 . . . . A 77 CYS HB3 . 30370 1 830 . 1 1 78 78 CYS C C 13 174.989 0.3 . 1 . . . . A 77 CYS C . 30370 1 831 . 1 1 78 78 CYS CA C 13 58.719 0.3 . 1 . . . . A 77 CYS CA . 30370 1 832 . 1 1 78 78 CYS CB C 13 28.486 0.3 . 1 . . . . A 77 CYS CB . 30370 1 833 . 1 1 78 78 CYS N N 15 126.264 0.25 . 1 . . . . A 77 CYS N . 30370 1 834 . 1 1 79 79 GLU H H 1 9.428 0.02 . 1 . . . . A 78 GLU H . 30370 1 835 . 1 1 79 79 GLU HA H 1 3.818 0.02 . 1 . . . . A 78 GLU HA . 30370 1 836 . 1 1 79 79 GLU HB2 H 1 1.983 0.02 . 2 . . . . A 78 GLU HB2 . 30370 1 837 . 1 1 79 79 GLU HB3 H 1 2.112 0.02 . 2 . . . . A 78 GLU HB3 . 30370 1 838 . 1 1 79 79 GLU HG2 H 1 2.357 0.02 . 2 . . . . A 78 GLU HG2 . 30370 1 839 . 1 1 79 79 GLU HG3 H 1 2.212 0.02 . 2 . . . . A 78 GLU HG3 . 30370 1 840 . 1 1 79 79 GLU C C 13 177.867 0.3 . 1 . . . . A 78 GLU C . 30370 1 841 . 1 1 79 79 GLU CA C 13 57.033 0.3 . 1 . . . . A 78 GLU CA . 30370 1 842 . 1 1 79 79 GLU CB C 13 26.844 0.3 . 1 . . . . A 78 GLU CB . 30370 1 843 . 1 1 79 79 GLU CG C 13 36.318 0.3 . 1 . . . . A 78 GLU CG . 30370 1 844 . 1 1 79 79 GLU N N 15 125.686 0.25 . 1 . . . . A 78 GLU N . 30370 1 845 . 1 1 80 80 GLY H H 1 8.7 0.02 . 1 . . . . A 79 GLY H . 30370 1 846 . 1 1 80 80 GLY HA2 H 1 4.142 0.02 . 2 . . . . A 79 GLY HA2 . 30370 1 847 . 1 1 80 80 GLY HA3 H 1 3.654 0.02 . 2 . . . . A 79 GLY HA3 . 30370 1 848 . 1 1 80 80 GLY C C 13 174.905 0.3 . 1 . . . . A 79 GLY C . 30370 1 849 . 1 1 80 80 GLY CA C 13 45.486 0.3 . 1 . . . . A 79 GLY CA . 30370 1 850 . 1 1 80 80 GLY N N 15 102.506 0.25 . 1 . . . . A 79 GLY N . 30370 1 851 . 1 1 81 81 GLU H H 1 7.448 0.02 . 1 . . . . A 80 GLU H . 30370 1 852 . 1 1 81 81 GLU HA H 1 4.855 0.02 . 1 . . . . A 80 GLU HA . 30370 1 853 . 1 1 81 81 GLU HB2 H 1 1.47 0.02 . 2 . . . . A 80 GLU HB2 . 30370 1 854 . 1 1 81 81 GLU HG3 H 1 2.163 0.02 . 2 . . . . A 80 GLU HG3 . 30370 1 855 . 1 1 81 81 GLU C C 13 173.479 0.3 . 1 . . . . A 80 GLU C . 30370 1 856 . 1 1 81 81 GLU CA C 13 52.841 0.3 . 1 . . . . A 80 GLU CA . 30370 1 857 . 1 1 81 81 GLU CB C 13 31.827 0.3 . 1 . . . . A 80 GLU CB . 30370 1 858 . 1 1 81 81 GLU CG C 13 36.084 0.3 . 1 . . . . A 80 GLU CG . 30370 1 859 . 1 1 81 81 GLU N N 15 118.011 0.25 . 1 . . . . A 80 GLU N . 30370 1 860 . 1 1 84 84 LEU HA H 1 4.744 0.02 . 1 . . . . A 83 LEU HA . 30370 1 861 . 1 1 84 84 LEU HB2 H 1 1.339 0.02 . 2 . . . . A 83 LEU HB2 . 30370 1 862 . 1 1 84 84 LEU HB3 H 1 1.437 0.02 . 2 . . . . A 83 LEU HB3 . 30370 1 863 . 1 1 84 84 LEU HG H 1 1.297 0.02 . 1 . . . . A 83 LEU HG . 30370 1 864 . 1 1 84 84 LEU HD11 H 1 0.595 0.02 . 2 . . . . A 83 LEU HD11 . 30370 1 865 . 1 1 84 84 LEU HD12 H 1 0.595 0.02 . 2 . . . . A 83 LEU HD12 . 30370 1 866 . 1 1 84 84 LEU HD13 H 1 0.595 0.02 . 2 . . . . A 83 LEU HD13 . 30370 1 867 . 1 1 84 84 LEU HD21 H 1 0.47 0.02 . 2 . . . . A 83 LEU HD21 . 30370 1 868 . 1 1 84 84 LEU HD22 H 1 0.47 0.02 . 2 . . . . A 83 LEU HD22 . 30370 1 869 . 1 1 84 84 LEU HD23 H 1 0.47 0.02 . 2 . . . . A 83 LEU HD23 . 30370 1 870 . 1 1 84 84 LEU C C 13 175.963 0.3 . 1 . . . . A 83 LEU C . 30370 1 871 . 1 1 84 84 LEU CA C 13 53.182 0.3 . 1 . . . . A 83 LEU CA . 30370 1 872 . 1 1 84 84 LEU CB C 13 44.817 0.3 . 1 . . . . A 83 LEU CB . 30370 1 873 . 1 1 84 84 LEU CG C 13 26.883 0.3 . 1 . . . . A 83 LEU CG . 30370 1 874 . 1 1 84 84 LEU CD1 C 13 25.798 0.3 . 2 . . . . A 83 LEU CD1 . 30370 1 875 . 1 1 84 84 LEU CD2 C 13 25.081 0.3 . 2 . . . . A 83 LEU CD2 . 30370 1 876 . 1 1 85 85 PHE H H 1 9.04 0.02 . 1 . . . . A 84 PHE H . 30370 1 877 . 1 1 85 85 PHE HA H 1 5.311 0.02 . 1 . . . . A 84 PHE HA . 30370 1 878 . 1 1 85 85 PHE HB2 H 1 2.584 0.02 . 2 . . . . A 84 PHE HB2 . 30370 1 879 . 1 1 85 85 PHE HB3 H 1 2.329 0.02 . 2 . . . . A 84 PHE HB3 . 30370 1 880 . 1 1 85 85 PHE HD1 H 1 6.557 0.02 . 3 . . . . A 84 PHE HD1 . 30370 1 881 . 1 1 85 85 PHE HD2 H 1 6.557 0.02 . 3 . . . . A 84 PHE HD2 . 30370 1 882 . 1 1 85 85 PHE HE1 H 1 6.268 0.02 . 3 . . . . A 84 PHE HE1 . 30370 1 883 . 1 1 85 85 PHE HE2 H 1 6.268 0.02 . 3 . . . . A 84 PHE HE2 . 30370 1 884 . 1 1 85 85 PHE HZ H 1 6.55 0.02 . 1 . . . . A 84 PHE HZ . 30370 1 885 . 1 1 85 85 PHE C C 13 177.342 0.3 . 1 . . . . A 84 PHE C . 30370 1 886 . 1 1 85 85 PHE CA C 13 56.927 0.3 . 1 . . . . A 84 PHE CA . 30370 1 887 . 1 1 85 85 PHE CB C 13 41.344 0.3 . 1 . . . . A 84 PHE CB . 30370 1 888 . 1 1 85 85 PHE CD1 C 13 130.971 0.3 . 3 . . . . A 84 PHE CD1 . 30370 1 889 . 1 1 85 85 PHE CE1 C 13 128.735 0.3 . 3 . . . . A 84 PHE CE1 . 30370 1 890 . 1 1 85 85 PHE N N 15 121.264 0.25 . 1 . . . . A 84 PHE N . 30370 1 891 . 1 1 86 86 VAL H H 1 8.53 0.02 . 1 . . . . A 85 VAL H . 30370 1 892 . 1 1 86 86 VAL HA H 1 4.604 0.02 . 1 . . . . A 85 VAL HA . 30370 1 893 . 1 1 86 86 VAL HB H 1 2.096 0.02 . 1 . . . . A 85 VAL HB . 30370 1 894 . 1 1 86 86 VAL HG11 H 1 0.448 0.02 . 2 . . . . A 85 VAL HG11 . 30370 1 895 . 1 1 86 86 VAL HG12 H 1 0.448 0.02 . 2 . . . . A 85 VAL HG12 . 30370 1 896 . 1 1 86 86 VAL HG13 H 1 0.448 0.02 . 2 . . . . A 85 VAL HG13 . 30370 1 897 . 1 1 86 86 VAL HG21 H 1 0.698 0.02 . 2 . . . . A 85 VAL HG21 . 30370 1 898 . 1 1 86 86 VAL HG22 H 1 0.698 0.02 . 2 . . . . A 85 VAL HG22 . 30370 1 899 . 1 1 86 86 VAL HG23 H 1 0.698 0.02 . 2 . . . . A 85 VAL HG23 . 30370 1 900 . 1 1 86 86 VAL C C 13 175.523 0.3 . 1 . . . . A 85 VAL C . 30370 1 901 . 1 1 86 86 VAL CA C 13 58.339 0.3 . 1 . . . . A 85 VAL CA . 30370 1 902 . 1 1 86 86 VAL CB C 13 35.282 0.3 . 1 . . . . A 85 VAL CB . 30370 1 903 . 1 1 86 86 VAL CG1 C 13 18.289 0.3 . 2 . . . . A 85 VAL CG1 . 30370 1 904 . 1 1 86 86 VAL CG2 C 13 21.583 0.3 . 2 . . . . A 85 VAL CG2 . 30370 1 905 . 1 1 86 86 VAL N N 15 114.392 0.25 . 1 . . . . A 85 VAL N . 30370 1 906 . 1 1 87 87 ASN H H 1 10.092 0.02 . 1 . . . . A 86 ASN H . 30370 1 907 . 1 1 87 87 ASN HA H 1 4.7 0.02 . 1 . . . . A 86 ASN HA . 30370 1 908 . 1 1 87 87 ASN HB2 H 1 2.861 0.02 . 2 . . . . A 86 ASN HB2 . 30370 1 909 . 1 1 87 87 ASN HB3 H 1 2.742 0.02 . 2 . . . . A 86 ASN HB3 . 30370 1 910 . 1 1 87 87 ASN HD21 H 1 7.739 0.02 . 2 . . . . A 86 ASN HD21 . 30370 1 911 . 1 1 87 87 ASN HD22 H 1 7.09 0.02 . 2 . . . . A 86 ASN HD22 . 30370 1 912 . 1 1 87 87 ASN C C 13 179.1 0.3 . 1 . . . . A 86 ASN C . 30370 1 913 . 1 1 87 87 ASN CA C 13 54.326 0.3 . 1 . . . . A 86 ASN CA . 30370 1 914 . 1 1 87 87 ASN CB C 13 38.25 0.3 . 1 . . . . A 86 ASN CB . 30370 1 915 . 1 1 87 87 ASN N N 15 122.283 0.25 . 1 . . . . A 86 ASN N . 30370 1 916 . 1 1 87 87 ASN ND2 N 15 112.093 0.25 . 1 . . . . A 86 ASN ND2 . 30370 1 917 . 1 1 88 88 ARG H H 1 8.877 0.02 . 1 . . . . A 87 ARG H . 30370 1 918 . 1 1 88 88 ARG HA H 1 3.808 0.02 . 1 . . . . A 87 ARG HA . 30370 1 919 . 1 1 88 88 ARG HB2 H 1 1.746 0.02 . 2 . . . . A 87 ARG HB2 . 30370 1 920 . 1 1 88 88 ARG HG2 H 1 1.555 0.02 . 2 . . . . A 87 ARG HG2 . 30370 1 921 . 1 1 88 88 ARG HD2 H 1 3.021 0.02 . 2 . . . . A 87 ARG HD2 . 30370 1 922 . 1 1 88 88 ARG HD3 H 1 3.074 0.02 . 2 . . . . A 87 ARG HD3 . 30370 1 923 . 1 1 88 88 ARG C C 13 180.146 0.3 . 1 . . . . A 87 ARG C . 30370 1 924 . 1 1 88 88 ARG CA C 13 60.166 0.3 . 1 . . . . A 87 ARG CA . 30370 1 925 . 1 1 88 88 ARG CB C 13 29.621 0.3 . 1 . . . . A 87 ARG CB . 30370 1 926 . 1 1 88 88 ARG CG C 13 27.168 0.3 . 1 . . . . A 87 ARG CG . 30370 1 927 . 1 1 88 88 ARG CD C 13 43.374 0.3 . 1 . . . . A 87 ARG CD . 30370 1 928 . 1 1 88 88 ARG N N 15 123.714 0.25 . 1 . . . . A 87 ARG N . 30370 1 929 . 1 1 89 89 GLN H H 1 9.192 0.02 . 1 . . . . A 88 GLN H . 30370 1 930 . 1 1 89 89 GLN HA H 1 4.188 0.02 . 1 . . . . A 88 GLN HA . 30370 1 931 . 1 1 89 89 GLN HB2 H 1 2.06 0.02 . 2 . . . . A 88 GLN HB2 . 30370 1 932 . 1 1 89 89 GLN HB3 H 1 2.04 0.02 . 2 . . . . A 88 GLN HB3 . 30370 1 933 . 1 1 89 89 GLN HG2 H 1 2.439 0.02 . 2 . . . . A 88 GLN HG2 . 30370 1 934 . 1 1 89 89 GLN HG3 H 1 2.339 0.02 . 2 . . . . A 88 GLN HG3 . 30370 1 935 . 1 1 89 89 GLN HE21 H 1 7.644 0.02 . 2 . . . . A 88 GLN HE21 . 30370 1 936 . 1 1 89 89 GLN HE22 H 1 6.909 0.02 . 2 . . . . A 88 GLN HE22 . 30370 1 937 . 1 1 89 89 GLN C C 13 177.544 0.3 . 1 . . . . A 88 GLN C . 30370 1 938 . 1 1 89 89 GLN CA C 13 58.174 0.3 . 1 . . . . A 88 GLN CA . 30370 1 939 . 1 1 89 89 GLN CB C 13 28.054 0.3 . 1 . . . . A 88 GLN CB . 30370 1 940 . 1 1 89 89 GLN CG C 13 33.396 0.3 . 1 . . . . A 88 GLN CG . 30370 1 941 . 1 1 89 89 GLN N N 15 116.109 0.25 . 1 . . . . A 88 GLN N . 30370 1 942 . 1 1 89 89 GLN NE2 N 15 111.413 0.25 . 1 . . . . A 88 GLN NE2 . 30370 1 943 . 1 1 90 90 ASP H H 1 7.906 0.02 . 1 . . . . A 89 ASP H . 30370 1 944 . 1 1 90 90 ASP HA H 1 5.075 0.02 . 1 . . . . A 89 ASP HA . 30370 1 945 . 1 1 90 90 ASP HB2 H 1 2.996 0.02 . 2 . . . . A 89 ASP HB2 . 30370 1 946 . 1 1 90 90 ASP HB3 H 1 2.685 0.02 . 2 . . . . A 89 ASP HB3 . 30370 1 947 . 1 1 90 90 ASP C C 13 176.7 0.3 . 1 . . . . A 89 ASP C . 30370 1 948 . 1 1 90 90 ASP CA C 13 54.139 0.3 . 1 . . . . A 89 ASP CA . 30370 1 949 . 1 1 90 90 ASP CB C 13 42.619 0.3 . 1 . . . . A 89 ASP CB . 30370 1 950 . 1 1 90 90 ASP N N 15 116.885 0.25 . 1 . . . . A 89 ASP N . 30370 1 951 . 1 1 91 91 GLU H H 1 7.531 0.02 . 1 . . . . A 90 GLU H . 30370 1 952 . 1 1 91 91 GLU HA H 1 3.444 0.02 . 1 . . . . A 90 GLU HA . 30370 1 953 . 1 1 91 91 GLU HB2 H 1 1.956 0.02 . 2 . . . . A 90 GLU HB2 . 30370 1 954 . 1 1 91 91 GLU HB3 H 1 1.975 0.02 . 2 . . . . A 90 GLU HB3 . 30370 1 955 . 1 1 91 91 GLU HG2 H 1 2.093 0.02 . 2 . . . . A 90 GLU HG2 . 30370 1 956 . 1 1 91 91 GLU C C 13 179.041 0.3 . 1 . . . . A 90 GLU C . 30370 1 957 . 1 1 91 91 GLU CA C 13 61.21 0.3 . 1 . . . . A 90 GLU CA . 30370 1 958 . 1 1 91 91 GLU CB C 13 29.499 0.3 . 1 . . . . A 90 GLU CB . 30370 1 959 . 1 1 91 91 GLU CG C 13 35.858 0.3 . 1 . . . . A 90 GLU CG . 30370 1 960 . 1 1 91 91 GLU N N 15 120.436 0.25 . 1 . . . . A 90 GLU N . 30370 1 961 . 1 1 92 92 PHE H H 1 8.916 0.02 . 1 . . . . A 91 PHE H . 30370 1 962 . 1 1 92 92 PHE HA H 1 4.245 0.02 . 1 . . . . A 91 PHE HA . 30370 1 963 . 1 1 92 92 PHE HB2 H 1 3.13 0.02 . 2 . . . . A 91 PHE HB2 . 30370 1 964 . 1 1 92 92 PHE HB3 H 1 3.046 0.02 . 2 . . . . A 91 PHE HB3 . 30370 1 965 . 1 1 92 92 PHE HD1 H 1 7.204 0.02 . 3 . . . . A 91 PHE HD1 . 30370 1 966 . 1 1 92 92 PHE HD2 H 1 7.204 0.02 . 3 . . . . A 91 PHE HD2 . 30370 1 967 . 1 1 92 92 PHE C C 13 178.495 0.3 . 1 . . . . A 91 PHE C . 30370 1 968 . 1 1 92 92 PHE CA C 13 61.787 0.3 . 1 . . . . A 91 PHE CA . 30370 1 969 . 1 1 92 92 PHE CB C 13 38.03 0.3 . 1 . . . . A 91 PHE CB . 30370 1 970 . 1 1 92 92 PHE CD1 C 13 132.777 0.3 . 3 . . . . A 91 PHE CD1 . 30370 1 971 . 1 1 92 92 PHE N N 15 120.729 0.25 . 1 . . . . A 91 PHE N . 30370 1 972 . 1 1 93 93 ALA H H 1 8.592 0.02 . 1 . . . . A 92 ALA H . 30370 1 973 . 1 1 93 93 ALA HA H 1 3.845 0.02 . 1 . . . . A 92 ALA HA . 30370 1 974 . 1 1 93 93 ALA HB1 H 1 1.388 0.02 . 1 . . . . A 92 ALA HB1 . 30370 1 975 . 1 1 93 93 ALA HB2 H 1 1.388 0.02 . 1 . . . . A 92 ALA HB2 . 30370 1 976 . 1 1 93 93 ALA HB3 H 1 1.388 0.02 . 1 . . . . A 92 ALA HB3 . 30370 1 977 . 1 1 93 93 ALA C C 13 182.203 0.3 . 1 . . . . A 92 ALA C . 30370 1 978 . 1 1 93 93 ALA CA C 13 55.068 0.3 . 1 . . . . A 92 ALA CA . 30370 1 979 . 1 1 93 93 ALA CB C 13 18.134 0.3 . 1 . . . . A 92 ALA CB . 30370 1 980 . 1 1 93 93 ALA N N 15 122.511 0.25 . 1 . . . . A 92 ALA N . 30370 1 981 . 1 1 94 94 ALA H H 1 8.724 0.02 . 1 . . . . A 93 ALA H . 30370 1 982 . 1 1 94 94 ALA HA H 1 3.841 0.02 . 1 . . . . A 93 ALA HA . 30370 1 983 . 1 1 94 94 ALA HB1 H 1 1.275 0.02 . 1 . . . . A 93 ALA HB1 . 30370 1 984 . 1 1 94 94 ALA HB2 H 1 1.275 0.02 . 1 . . . . A 93 ALA HB2 . 30370 1 985 . 1 1 94 94 ALA HB3 H 1 1.275 0.02 . 1 . . . . A 93 ALA HB3 . 30370 1 986 . 1 1 94 94 ALA C C 13 179.789 0.3 . 1 . . . . A 93 ALA C . 30370 1 987 . 1 1 94 94 ALA CA C 13 54.771 0.3 . 1 . . . . A 93 ALA CA . 30370 1 988 . 1 1 94 94 ALA CB C 13 18.747 0.3 . 1 . . . . A 93 ALA CB . 30370 1 989 . 1 1 94 94 ALA N N 15 117.304 0.25 . 1 . . . . A 93 ALA N . 30370 1 990 . 1 1 95 95 THR H H 1 8.524 0.02 . 1 . . . . A 94 THR H . 30370 1 991 . 1 1 95 95 THR HA H 1 3.51 0.02 . 1 . . . . A 94 THR HA . 30370 1 992 . 1 1 95 95 THR HB H 1 4.144 0.02 . 1 . . . . A 94 THR HB . 30370 1 993 . 1 1 95 95 THR HG21 H 1 1.125 0.02 . 1 . . . . A 94 THR HG21 . 30370 1 994 . 1 1 95 95 THR HG22 H 1 1.125 0.02 . 1 . . . . A 94 THR HG22 . 30370 1 995 . 1 1 95 95 THR HG23 H 1 1.125 0.02 . 1 . . . . A 94 THR HG23 . 30370 1 996 . 1 1 95 95 THR C C 13 177.558 0.3 . 1 . . . . A 94 THR C . 30370 1 997 . 1 1 95 95 THR CA C 13 67.179 0.3 . 1 . . . . A 94 THR CA . 30370 1 998 . 1 1 95 95 THR CB C 13 68.186 0.3 . 1 . . . . A 94 THR CB . 30370 1 999 . 1 1 95 95 THR CG2 C 13 21.298 0.3 . 1 . . . . A 94 THR CG2 . 30370 1 1000 . 1 1 95 95 THR N N 15 112.071 0.25 . 1 . . . . A 94 THR N . 30370 1 1001 . 1 1 96 96 CYS H H 1 8.009 0.02 . 1 . . . . A 95 CYS H . 30370 1 1002 . 1 1 96 96 CYS HA H 1 3.8 0.02 . 1 . . . . A 95 CYS HA . 30370 1 1003 . 1 1 96 96 CYS HB2 H 1 2.55 0.02 . 2 . . . . A 95 CYS HB2 . 30370 1 1004 . 1 1 96 96 CYS HB3 H 1 2.629 0.02 . 2 . . . . A 95 CYS HB3 . 30370 1 1005 . 1 1 96 96 CYS C C 13 177.852 0.3 . 1 . . . . A 95 CYS C . 30370 1 1006 . 1 1 96 96 CYS CA C 13 63.477 0.3 . 1 . . . . A 95 CYS CA . 30370 1 1007 . 1 1 96 96 CYS CB C 13 26.405 0.3 . 1 . . . . A 95 CYS CB . 30370 1 1008 . 1 1 96 96 CYS N N 15 118.435 0.25 . 1 . . . . A 95 CYS N . 30370 1 1009 . 1 1 97 97 ARG H H 1 7.519 0.02 . 1 . . . . A 96 ARG H . 30370 1 1010 . 1 1 97 97 ARG HA H 1 4.04 0.02 . 1 . . . . A 96 ARG HA . 30370 1 1011 . 1 1 97 97 ARG HB2 H 1 1.951 0.02 . 2 . . . . A 96 ARG HB2 . 30370 1 1012 . 1 1 97 97 ARG HB3 H 1 1.857 0.02 . 2 . . . . A 96 ARG HB3 . 30370 1 1013 . 1 1 97 97 ARG HG2 H 1 1.545 0.02 . 2 . . . . A 96 ARG HG2 . 30370 1 1014 . 1 1 97 97 ARG HD2 H 1 3.072 0.02 . 2 . . . . A 96 ARG HD2 . 30370 1 1015 . 1 1 97 97 ARG HD3 H 1 3.003 0.02 . 2 . . . . A 96 ARG HD3 . 30370 1 1016 . 1 1 97 97 ARG HE H 1 7.136 0.02 . 1 . . . . A 96 ARG HE . 30370 1 1017 . 1 1 97 97 ARG C C 13 178.899 0.3 . 1 . . . . A 96 ARG C . 30370 1 1018 . 1 1 97 97 ARG CA C 13 57.334 0.3 . 1 . . . . A 96 ARG CA . 30370 1 1019 . 1 1 97 97 ARG CB C 13 29.511 0.3 . 1 . . . . A 96 ARG CB . 30370 1 1020 . 1 1 97 97 ARG CG C 13 26.764 0.3 . 1 . . . . A 96 ARG CG . 30370 1 1021 . 1 1 97 97 ARG CD C 13 42.929 0.3 . 1 . . . . A 96 ARG CD . 30370 1 1022 . 1 1 97 97 ARG N N 15 118.333 0.25 . 1 . . . . A 96 ARG N . 30370 1 1023 . 1 1 97 97 ARG NE N 15 83.581 0.25 . 1 . . . . A 96 ARG NE . 30370 1 1024 . 1 1 98 98 LEU H H 1 8.138 0.02 . 1 . . . . A 97 LEU H . 30370 1 1025 . 1 1 98 98 LEU HA H 1 3.839 0.02 . 1 . . . . A 97 LEU HA . 30370 1 1026 . 1 1 98 98 LEU HB2 H 1 1.724 0.02 . 2 . . . . A 97 LEU HB2 . 30370 1 1027 . 1 1 98 98 LEU HB3 H 1 1.113 0.02 . 2 . . . . A 97 LEU HB3 . 30370 1 1028 . 1 1 98 98 LEU HG H 1 1.892 0.02 . 1 . . . . A 97 LEU HG . 30370 1 1029 . 1 1 98 98 LEU HD11 H 1 0.587 0.02 . 2 . . . . A 97 LEU HD11 . 30370 1 1030 . 1 1 98 98 LEU HD12 H 1 0.587 0.02 . 2 . . . . A 97 LEU HD12 . 30370 1 1031 . 1 1 98 98 LEU HD13 H 1 0.587 0.02 . 2 . . . . A 97 LEU HD13 . 30370 1 1032 . 1 1 98 98 LEU HD21 H 1 0.777 0.02 . 2 . . . . A 97 LEU HD21 . 30370 1 1033 . 1 1 98 98 LEU HD22 H 1 0.777 0.02 . 2 . . . . A 97 LEU HD22 . 30370 1 1034 . 1 1 98 98 LEU HD23 H 1 0.777 0.02 . 2 . . . . A 97 LEU HD23 . 30370 1 1035 . 1 1 98 98 LEU C C 13 180.388 0.3 . 1 . . . . A 97 LEU C . 30370 1 1036 . 1 1 98 98 LEU CA C 13 58.04 0.3 . 1 . . . . A 97 LEU CA . 30370 1 1037 . 1 1 98 98 LEU CB C 13 40.091 0.3 . 1 . . . . A 97 LEU CB . 30370 1 1038 . 1 1 98 98 LEU CG C 13 26.683 0.3 . 1 . . . . A 97 LEU CG . 30370 1 1039 . 1 1 98 98 LEU CD1 C 13 23.092 0.3 . 2 . . . . A 97 LEU CD1 . 30370 1 1040 . 1 1 98 98 LEU CD2 C 13 21.743 0.3 . 2 . . . . A 97 LEU CD2 . 30370 1 1041 . 1 1 98 98 LEU N N 15 116.644 0.25 . 1 . . . . A 97 LEU N . 30370 1 1042 . 1 1 99 99 LYS H H 1 8.065 0.02 . 1 . . . . A 98 LYS H . 30370 1 1043 . 1 1 99 99 LYS HA H 1 4.361 0.02 . 1 . . . . A 98 LYS HA . 30370 1 1044 . 1 1 99 99 LYS HB2 H 1 1.828 0.02 . 2 . . . . A 98 LYS HB2 . 30370 1 1045 . 1 1 99 99 LYS HG2 H 1 1.588 0.02 . 2 . . . . A 98 LYS HG2 . 30370 1 1046 . 1 1 99 99 LYS HG3 H 1 1.419 0.02 . 2 . . . . A 98 LYS HG3 . 30370 1 1047 . 1 1 99 99 LYS HD2 H 1 1.595 0.02 . 2 . . . . A 98 LYS HD2 . 30370 1 1048 . 1 1 99 99 LYS HE2 H 1 2.874 0.02 . 2 . . . . A 98 LYS HE2 . 30370 1 1049 . 1 1 99 99 LYS HE3 H 1 2.827 0.02 . 2 . . . . A 98 LYS HE3 . 30370 1 1050 . 1 1 99 99 LYS C C 13 181.635 0.3 . 1 . . . . A 98 LYS C . 30370 1 1051 . 1 1 99 99 LYS CA C 13 59.717 0.3 . 1 . . . . A 98 LYS CA . 30370 1 1052 . 1 1 99 99 LYS CB C 13 32.011 0.3 . 1 . . . . A 98 LYS CB . 30370 1 1053 . 1 1 99 99 LYS CG C 13 25.302 0.3 . 1 . . . . A 98 LYS CG . 30370 1 1054 . 1 1 99 99 LYS CD C 13 29.459 0.3 . 1 . . . . A 98 LYS CD . 30370 1 1055 . 1 1 99 99 LYS CE C 13 41.923 0.3 . 1 . . . . A 98 LYS CE . 30370 1 1056 . 1 1 99 99 LYS N N 15 118.457 0.25 . 1 . . . . A 98 LYS N . 30370 1 1057 . 1 1 100 100 ASN H H 1 7.815 0.02 . 1 . . . . A 99 ASN H . 30370 1 1058 . 1 1 100 100 ASN HA H 1 4.45 0.02 . 1 . . . . A 99 ASN HA . 30370 1 1059 . 1 1 100 100 ASN HB2 H 1 2.725 0.02 . 2 . . . . A 99 ASN HB2 . 30370 1 1060 . 1 1 100 100 ASN HB3 H 1 2.869 0.02 . 2 . . . . A 99 ASN HB3 . 30370 1 1061 . 1 1 100 100 ASN HD21 H 1 7.114 0.02 . 2 . . . . A 99 ASN HD21 . 30370 1 1062 . 1 1 100 100 ASN HD22 H 1 6.833 0.02 . 2 . . . . A 99 ASN HD22 . 30370 1 1063 . 1 1 100 100 ASN C C 13 176.938 0.3 . 1 . . . . A 99 ASN C . 30370 1 1064 . 1 1 100 100 ASN CA C 13 55.523 0.3 . 1 . . . . A 99 ASN CA . 30370 1 1065 . 1 1 100 100 ASN CB C 13 38.451 0.3 . 1 . . . . A 99 ASN CB . 30370 1 1066 . 1 1 100 100 ASN N N 15 117.747 0.25 . 1 . . . . A 99 ASN N . 30370 1 1067 . 1 1 100 100 ASN ND2 N 15 110.906 0.25 . 1 . . . . A 99 ASN ND2 . 30370 1 1068 . 1 1 101 101 PHE H H 1 7.93 0.02 . 1 . . . . A 100 PHE H . 30370 1 1069 . 1 1 101 101 PHE HA H 1 4.414 0.02 . 1 . . . . A 100 PHE HA . 30370 1 1070 . 1 1 101 101 PHE HB2 H 1 2.888 0.02 . 2 . . . . A 100 PHE HB2 . 30370 1 1071 . 1 1 101 101 PHE HB3 H 1 3.264 0.02 . 2 . . . . A 100 PHE HB3 . 30370 1 1072 . 1 1 101 101 PHE HD1 H 1 7.132 0.02 . 3 . . . . A 100 PHE HD1 . 30370 1 1073 . 1 1 101 101 PHE HD2 H 1 7.132 0.02 . 3 . . . . A 100 PHE HD2 . 30370 1 1074 . 1 1 101 101 PHE HE1 H 1 6.802 0.02 . 3 . . . . A 100 PHE HE1 . 30370 1 1075 . 1 1 101 101 PHE HE2 H 1 6.802 0.02 . 3 . . . . A 100 PHE HE2 . 30370 1 1076 . 1 1 101 101 PHE C C 13 176.32 0.3 . 1 . . . . A 100 PHE C . 30370 1 1077 . 1 1 101 101 PHE CA C 13 58.144 0.3 . 1 . . . . A 100 PHE CA . 30370 1 1078 . 1 1 101 101 PHE CB C 13 39.643 0.3 . 1 . . . . A 100 PHE CB . 30370 1 1079 . 1 1 101 101 PHE CD1 C 13 131.243 0.3 . 3 . . . . A 100 PHE CD1 . 30370 1 1080 . 1 1 101 101 PHE N N 15 118.572 0.25 . 1 . . . . A 100 PHE N . 30370 1 1081 . 1 1 102 102 GLY H H 1 7.745 0.02 . 1 . . . . A 101 GLY H . 30370 1 1082 . 1 1 102 102 GLY HA2 H 1 4.093 0.02 . 2 . . . . A 101 GLY HA2 . 30370 1 1083 . 1 1 102 102 GLY HA3 H 1 3.615 0.02 . 2 . . . . A 101 GLY HA3 . 30370 1 1084 . 1 1 102 102 GLY C C 13 174.62 0.3 . 1 . . . . A 101 GLY C . 30370 1 1085 . 1 1 102 102 GLY CA C 13 45.565 0.3 . 1 . . . . A 101 GLY CA . 30370 1 1086 . 1 1 102 102 GLY N N 15 104.907 0.25 . 1 . . . . A 101 GLY N . 30370 1 1087 . 1 1 103 103 VAL H H 1 7.413 0.02 . 1 . . . . A 102 VAL H . 30370 1 1088 . 1 1 103 103 VAL HA H 1 3.979 0.02 . 1 . . . . A 102 VAL HA . 30370 1 1089 . 1 1 103 103 VAL HB H 1 1.562 0.02 . 1 . . . . A 102 VAL HB . 30370 1 1090 . 1 1 103 103 VAL HG11 H 1 0.782 0.02 . 2 . . . . A 102 VAL HG11 . 30370 1 1091 . 1 1 103 103 VAL HG12 H 1 0.782 0.02 . 2 . . . . A 102 VAL HG12 . 30370 1 1092 . 1 1 103 103 VAL HG13 H 1 0.782 0.02 . 2 . . . . A 102 VAL HG13 . 30370 1 1093 . 1 1 103 103 VAL HG21 H 1 0.619 0.02 . 2 . . . . A 102 VAL HG21 . 30370 1 1094 . 1 1 103 103 VAL HG22 H 1 0.619 0.02 . 2 . . . . A 102 VAL HG22 . 30370 1 1095 . 1 1 103 103 VAL HG23 H 1 0.619 0.02 . 2 . . . . A 102 VAL HG23 . 30370 1 1096 . 1 1 103 103 VAL C C 13 175.927 0.3 . 1 . . . . A 102 VAL C . 30370 1 1097 . 1 1 103 103 VAL CA C 13 61.643 0.3 . 1 . . . . A 102 VAL CA . 30370 1 1098 . 1 1 103 103 VAL CB C 13 32.24 0.3 . 1 . . . . A 102 VAL CB . 30370 1 1099 . 1 1 103 103 VAL CG1 C 13 22.56 0.3 . 2 . . . . A 102 VAL CG1 . 30370 1 1100 . 1 1 103 103 VAL CG2 C 13 21.67 0.3 . 2 . . . . A 102 VAL CG2 . 30370 1 1101 . 1 1 103 103 VAL N N 15 119.933 0.25 . 1 . . . . A 102 VAL N . 30370 1 1102 . 1 1 104 104 ALA H H 1 8.15 0.02 . 1 . . . . A 103 ALA H . 30370 1 1103 . 1 1 104 104 ALA HA H 1 4.473 0.02 . 1 . . . . A 103 ALA HA . 30370 1 1104 . 1 1 104 104 ALA HB1 H 1 1.293 0.02 . 1 . . . . A 103 ALA HB1 . 30370 1 1105 . 1 1 104 104 ALA HB2 H 1 1.293 0.02 . 1 . . . . A 103 ALA HB2 . 30370 1 1106 . 1 1 104 104 ALA HB3 H 1 1.293 0.02 . 1 . . . . A 103 ALA HB3 . 30370 1 1107 . 1 1 104 104 ALA C C 13 176.576 0.3 . 1 . . . . A 103 ALA C . 30370 1 1108 . 1 1 104 104 ALA CA C 13 50.818 0.3 . 1 . . . . A 103 ALA CA . 30370 1 1109 . 1 1 104 104 ALA CB C 13 20.382 0.3 . 1 . . . . A 103 ALA CB . 30370 1 1110 . 1 1 104 104 ALA N N 15 127.985 0.25 . 1 . . . . A 103 ALA N . 30370 1 1111 . 1 1 105 105 ILE H H 1 8.247 0.02 . 1 . . . . A 104 ILE H . 30370 1 1112 . 1 1 105 105 ILE HA H 1 4.611 0.02 . 1 . . . . A 104 ILE HA . 30370 1 1113 . 1 1 105 105 ILE HB H 1 1.736 0.02 . 1 . . . . A 104 ILE HB . 30370 1 1114 . 1 1 105 105 ILE HG12 H 1 1.268 0.02 . 2 . . . . A 104 ILE HG12 . 30370 1 1115 . 1 1 105 105 ILE HG13 H 1 1.06 0.02 . 2 . . . . A 104 ILE HG13 . 30370 1 1116 . 1 1 105 105 ILE HG21 H 1 0.717 0.02 . 1 . . . . A 104 ILE HG21 . 30370 1 1117 . 1 1 105 105 ILE HG22 H 1 0.717 0.02 . 1 . . . . A 104 ILE HG22 . 30370 1 1118 . 1 1 105 105 ILE HG23 H 1 0.717 0.02 . 1 . . . . A 104 ILE HG23 . 30370 1 1119 . 1 1 105 105 ILE HD11 H 1 0.589 0.02 . 1 . . . . A 104 ILE HD11 . 30370 1 1120 . 1 1 105 105 ILE HD12 H 1 0.589 0.02 . 1 . . . . A 104 ILE HD12 . 30370 1 1121 . 1 1 105 105 ILE HD13 H 1 0.589 0.02 . 1 . . . . A 104 ILE HD13 . 30370 1 1122 . 1 1 105 105 ILE C C 13 177.116 0.3 . 1 . . . . A 104 ILE C . 30370 1 1123 . 1 1 105 105 ILE CA C 13 58.864 0.3 . 1 . . . . A 104 ILE CA . 30370 1 1124 . 1 1 105 105 ILE CB C 13 37.674 0.3 . 1 . . . . A 104 ILE CB . 30370 1 1125 . 1 1 105 105 ILE CG1 C 13 27.425 0.3 . 1 . . . . A 104 ILE CG1 . 30370 1 1126 . 1 1 105 105 ILE CG2 C 13 17.115 0.3 . 1 . . . . A 104 ILE CG2 . 30370 1 1127 . 1 1 105 105 ILE CD1 C 13 12.27 0.3 . 1 . . . . A 104 ILE CD1 . 30370 1 1128 . 1 1 105 105 ILE N N 15 120.674 0.25 . 1 . . . . A 104 ILE N . 30370 1 1129 . 1 1 106 106 ALA H H 1 8.891 0.02 . 1 . . . . A 105 ALA H . 30370 1 1130 . 1 1 106 106 ALA HA H 1 4.304 0.02 . 1 . . . . A 105 ALA HA . 30370 1 1131 . 1 1 106 106 ALA HB1 H 1 1.112 0.02 . 1 . . . . A 105 ALA HB1 . 30370 1 1132 . 1 1 106 106 ALA HB2 H 1 1.112 0.02 . 1 . . . . A 105 ALA HB2 . 30370 1 1133 . 1 1 106 106 ALA HB3 H 1 1.112 0.02 . 1 . . . . A 105 ALA HB3 . 30370 1 1134 . 1 1 106 106 ALA C C 13 177.402 0.3 . 1 . . . . A 105 ALA C . 30370 1 1135 . 1 1 106 106 ALA CA C 13 51.477 0.3 . 1 . . . . A 105 ALA CA . 30370 1 1136 . 1 1 106 106 ALA CB C 13 19.726 0.3 . 1 . . . . A 105 ALA CB . 30370 1 1137 . 1 1 106 106 ALA N N 15 130.227 0.25 . 1 . . . . A 105 ALA N . 30370 1 1138 . 1 1 107 107 GLU H H 1 8.292 0.02 . 1 . . . . A 106 GLU H . 30370 1 1139 . 1 1 107 107 GLU HA H 1 4.482 0.02 . 1 . . . . A 106 GLU HA . 30370 1 1140 . 1 1 107 107 GLU HB2 H 1 1.762 0.02 . 2 . . . . A 106 GLU HB2 . 30370 1 1141 . 1 1 107 107 GLU HB3 H 1 1.945 0.02 . 2 . . . . A 106 GLU HB3 . 30370 1 1142 . 1 1 107 107 GLU HG2 H 1 2.206 0.02 . 2 . . . . A 106 GLU HG2 . 30370 1 1143 . 1 1 107 107 GLU C C 13 175.464 0.3 . 1 . . . . A 106 GLU C . 30370 1 1144 . 1 1 107 107 GLU CA C 13 53.671 0.3 . 1 . . . . A 106 GLU CA . 30370 1 1145 . 1 1 107 107 GLU CB C 13 29.581 0.3 . 1 . . . . A 106 GLU CB . 30370 1 1146 . 1 1 107 107 GLU CG C 13 35.949 0.3 . 1 . . . . A 106 GLU CG . 30370 1 1147 . 1 1 107 107 GLU N N 15 120.311 0.25 . 1 . . . . A 106 GLU N . 30370 1 1148 . 1 1 108 108 PRO HA H 1 4.191 0.02 . 1 . . . . A 107 PRO HA . 30370 1 1149 . 1 1 108 108 PRO HB2 H 1 1.989 0.02 . 2 . . . . A 107 PRO HB2 . 30370 1 1150 . 1 1 108 108 PRO HB3 H 1 1.612 0.02 . 2 . . . . A 107 PRO HB3 . 30370 1 1151 . 1 1 108 108 PRO HG2 H 1 1.941 0.02 . 2 . . . . A 107 PRO HG2 . 30370 1 1152 . 1 1 108 108 PRO HG3 H 1 1.761 0.02 . 2 . . . . A 107 PRO HG3 . 30370 1 1153 . 1 1 108 108 PRO HD2 H 1 3.487 0.02 . 2 . . . . A 107 PRO HD2 . 30370 1 1154 . 1 1 108 108 PRO HD3 H 1 3.575 0.02 . 2 . . . . A 107 PRO HD3 . 30370 1 1155 . 1 1 108 108 PRO C C 13 177.627 0.3 . 1 . . . . A 107 PRO C . 30370 1 1156 . 1 1 108 108 PRO CA C 13 62.933 0.3 . 1 . . . . A 107 PRO CA . 30370 1 1157 . 1 1 108 108 PRO CB C 13 31.837 0.3 . 1 . . . . A 107 PRO CB . 30370 1 1158 . 1 1 108 108 PRO CG C 13 27.199 0.3 . 1 . . . . A 107 PRO CG . 30370 1 1159 . 1 1 108 108 PRO CD C 13 50.153 0.3 . 1 . . . . A 107 PRO CD . 30370 1 1160 . 1 1 109 109 PHE H H 1 8.104 0.02 . 1 . . . . A 108 PHE H . 30370 1 1161 . 1 1 109 109 PHE HA H 1 4.512 0.02 . 1 . . . . A 108 PHE HA . 30370 1 1162 . 1 1 109 109 PHE HB2 H 1 2.981 0.02 . 2 . . . . A 108 PHE HB2 . 30370 1 1163 . 1 1 109 109 PHE HB3 H 1 3.085 0.02 . 2 . . . . A 108 PHE HB3 . 30370 1 1164 . 1 1 109 109 PHE HD1 H 1 7.149 0.02 . 3 . . . . A 108 PHE HD1 . 30370 1 1165 . 1 1 109 109 PHE HD2 H 1 7.149 0.02 . 3 . . . . A 108 PHE HD2 . 30370 1 1166 . 1 1 109 109 PHE C C 13 176.664 0.3 . 1 . . . . A 108 PHE C . 30370 1 1167 . 1 1 109 109 PHE CA C 13 57.514 0.3 . 1 . . . . A 108 PHE CA . 30370 1 1168 . 1 1 109 109 PHE CB C 13 38.991 0.3 . 1 . . . . A 108 PHE CB . 30370 1 1169 . 1 1 109 109 PHE CD1 C 13 131.515 0.3 . 3 . . . . A 108 PHE CD1 . 30370 1 1170 . 1 1 109 109 PHE N N 15 118.002 0.25 . 1 . . . . A 108 PHE N . 30370 1 1171 . 1 1 110 110 SER H H 1 7.994 0.02 . 1 . . . . A 109 SER H . 30370 1 1172 . 1 1 110 110 SER HA H 1 4.299 0.02 . 1 . . . . A 109 SER HA . 30370 1 1173 . 1 1 110 110 SER HB2 H 1 3.653 0.02 . 2 . . . . A 109 SER HB2 . 30370 1 1174 . 1 1 110 110 SER HB3 H 1 3.706 0.02 . 2 . . . . A 109 SER HB3 . 30370 1 1175 . 1 1 110 110 SER C C 13 174.823 0.3 . 1 . . . . A 109 SER C . 30370 1 1176 . 1 1 110 110 SER CA C 13 58.036 0.3 . 1 . . . . A 109 SER CA . 30370 1 1177 . 1 1 110 110 SER CB C 13 63.945 0.3 . 1 . . . . A 109 SER CB . 30370 1 1178 . 1 1 110 110 SER N N 15 115.476 0.25 . 1 . . . . A 109 SER N . 30370 1 1179 . 1 1 111 111 ASN H H 1 8.231 0.02 . 1 . . . . A 110 ASN H . 30370 1 1180 . 1 1 111 111 ASN HA H 1 4.543 0.02 . 1 . . . . A 110 ASN HA . 30370 1 1181 . 1 1 111 111 ASN HB2 H 1 2.578 0.02 . 2 . . . . A 110 ASN HB2 . 30370 1 1182 . 1 1 111 111 ASN HB3 H 1 2.663 0.02 . 2 . . . . A 110 ASN HB3 . 30370 1 1183 . 1 1 111 111 ASN C C 13 175.392 0.3 . 1 . . . . A 110 ASN C . 30370 1 1184 . 1 1 111 111 ASN CA C 13 53.117 0.3 . 1 . . . . A 110 ASN CA . 30370 1 1185 . 1 1 111 111 ASN CB C 13 38.772 0.3 . 1 . . . . A 110 ASN CB . 30370 1 1186 . 1 1 111 111 ASN N N 15 119.39 0.25 . 1 . . . . A 110 ASN N . 30370 1 1187 . 1 1 112 112 TYR H H 1 7.953 0.02 . 1 . . . . A 111 TYR H . 30370 1 1188 . 1 1 112 112 TYR HA H 1 4.412 0.02 . 1 . . . . A 111 TYR HA . 30370 1 1189 . 1 1 112 112 TYR HB2 H 1 2.797 0.02 . 2 . . . . A 111 TYR HB2 . 30370 1 1190 . 1 1 112 112 TYR HB3 H 1 2.839 0.02 . 2 . . . . A 111 TYR HB3 . 30370 1 1191 . 1 1 112 112 TYR HD1 H 1 6.95 0.02 . 3 . . . . A 111 TYR HD1 . 30370 1 1192 . 1 1 112 112 TYR HD2 H 1 6.95 0.02 . 3 . . . . A 111 TYR HD2 . 30370 1 1193 . 1 1 112 112 TYR HE1 H 1 6.677 0.02 . 3 . . . . A 111 TYR HE1 . 30370 1 1194 . 1 1 112 112 TYR HE2 H 1 6.677 0.02 . 3 . . . . A 111 TYR HE2 . 30370 1 1195 . 1 1 112 112 TYR C C 13 175.594 0.3 . 1 . . . . A 111 TYR C . 30370 1 1196 . 1 1 112 112 TYR CA C 13 57.734 0.3 . 1 . . . . A 111 TYR CA . 30370 1 1197 . 1 1 112 112 TYR CB C 13 38.195 0.3 . 1 . . . . A 111 TYR CB . 30370 1 1198 . 1 1 112 112 TYR CD1 C 13 133.123 0.3 . 3 . . . . A 111 TYR CD1 . 30370 1 1199 . 1 1 112 112 TYR CE1 C 13 118.106 0.3 . 3 . . . . A 111 TYR CE1 . 30370 1 1200 . 1 1 112 112 TYR N N 15 119.52 0.25 . 1 . . . . A 111 TYR N . 30370 1 1201 . 1 1 113 113 ASN H H 1 8.119 0.02 . 1 . . . . A 112 ASN H . 30370 1 1202 . 1 1 113 113 ASN HA H 1 4.778 0.02 . 1 . . . . A 112 ASN HA . 30370 1 1203 . 1 1 113 113 ASN HB2 H 1 2.45 0.02 . 2 . . . . A 112 ASN HB2 . 30370 1 1204 . 1 1 113 113 ASN HB3 H 1 2.55 0.02 . 2 . . . . A 112 ASN HB3 . 30370 1 1205 . 1 1 113 113 ASN HD21 H 1 6.712 0.02 . 2 . . . . A 112 ASN HD21 . 30370 1 1206 . 1 1 113 113 ASN HD22 H 1 7.418 0.02 . 2 . . . . A 112 ASN HD22 . 30370 1 1207 . 1 1 113 113 ASN C C 13 173.729 0.3 . 1 . . . . A 112 ASN C . 30370 1 1208 . 1 1 113 113 ASN CA C 13 50.554 0.3 . 1 . . . . A 112 ASN CA . 30370 1 1209 . 1 1 113 113 ASN CB C 13 39.211 0.3 . 1 . . . . A 112 ASN CB . 30370 1 1210 . 1 1 113 113 ASN N N 15 121.602 0.25 . 1 . . . . A 112 ASN N . 30370 1 1211 . 1 1 113 113 ASN ND2 N 15 111.772 0.25 . 1 . . . . A 112 ASN ND2 . 30370 1 1212 . 1 1 114 114 PRO HA H 1 4.193 0.02 . 1 . . . . A 113 PRO HA . 30370 1 1213 . 1 1 114 114 PRO HB2 H 1 1.708 0.02 . 2 . . . . A 113 PRO HB2 . 30370 1 1214 . 1 1 114 114 PRO HB3 H 1 1.945 0.02 . 2 . . . . A 113 PRO HB3 . 30370 1 1215 . 1 1 114 114 PRO HG2 H 1 1.718 0.02 . 2 . . . . A 113 PRO HG2 . 30370 1 1216 . 1 1 114 114 PRO HG3 H 1 1.51 0.02 . 2 . . . . A 113 PRO HG3 . 30370 1 1217 . 1 1 114 114 PRO HD2 H 1 3.253 0.02 . 2 . . . . A 113 PRO HD2 . 30370 1 1218 . 1 1 114 114 PRO HD3 H 1 3.408 0.02 . 2 . . . . A 113 PRO HD3 . 30370 1 1219 . 1 1 114 114 PRO C C 13 176.344 0.3 . 1 . . . . A 113 PRO C . 30370 1 1220 . 1 1 114 114 PRO CA C 13 63.298 0.3 . 1 . . . . A 113 PRO CA . 30370 1 1221 . 1 1 114 114 PRO CB C 13 31.572 0.3 . 1 . . . . A 113 PRO CB . 30370 1 1222 . 1 1 114 114 PRO CG C 13 26.62 0.3 . 1 . . . . A 113 PRO CG . 30370 1 1223 . 1 1 114 114 PRO CD C 13 50.046 0.3 . 1 . . . . A 113 PRO CD . 30370 1 1224 . 1 1 115 115 PHE H H 1 7.366 0.02 . 1 . . . . A 114 PHE H . 30370 1 1225 . 1 1 115 115 PHE HA H 1 4.308 0.02 . 1 . . . . A 114 PHE HA . 30370 1 1226 . 1 1 115 115 PHE HB2 H 1 2.868 0.02 . 2 . . . . A 114 PHE HB2 . 30370 1 1227 . 1 1 115 115 PHE HB3 H 1 3.056 0.02 . 2 . . . . A 114 PHE HB3 . 30370 1 1228 . 1 1 115 115 PHE HD1 H 1 7.129 0.02 . 3 . . . . A 114 PHE HD1 . 30370 1 1229 . 1 1 115 115 PHE HD2 H 1 7.129 0.02 . 3 . . . . A 114 PHE HD2 . 30370 1 1230 . 1 1 115 115 PHE C C 13 181.097 0.3 . 1 . . . . A 114 PHE C . 30370 1 1231 . 1 1 115 115 PHE CA C 13 58.833 0.3 . 1 . . . . A 114 PHE CA . 30370 1 1232 . 1 1 115 115 PHE CB C 13 40.091 0.3 . 1 . . . . A 114 PHE CB . 30370 1 1233 . 1 1 115 115 PHE CD1 C 13 131.292 0.3 . 3 . . . . A 114 PHE CD1 . 30370 1 1234 . 1 1 115 115 PHE N N 15 123.045 0.25 . 1 . . . . A 114 PHE N . 30370 1 stop_ save_