data_27925 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27925 _Entry.Title ; NMR assignments of capsid protrusion domain of dragon grouper nervous necrosis virus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-05-26 _Entry.Accession_date 2019-05-26 _Entry.Last_release_date 2019-05-28 _Entry.Original_release_date 2019-05-28 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Petra Sterbova . . . . 27925 2 Danny Wu . . . . 27925 3 Yuan-Chao Lou . . . . 27925 4 Der-Lii Tzou . . . . 27925 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27925 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 552 27925 '15N chemical shifts' 127 27925 '1H chemical shifts' 843 27925 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 . . 2020-03-31 2019-05-26 update BMRB 'update entry citation' 27925 1 . . 2020-02-11 2019-05-26 original author 'original release' 27925 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27925 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 31848940 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H, 13C, and 15N resonance assignments of the capsid protrusion domain of dragon grouper nervous necrosis virus ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 14 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 63 _Citation.Page_last 66 _Citation.Year 2020 _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 Petra Sterbova . . . . 27925 1 2 Danny Wu . . . . 27925 1 3 Yuan-Chao Lou . . . . 27925 1 4 Chun-Hsiung Wang . . . . 27925 1 5 Wei-Hau Chang . . . . 27925 1 6 Der-Lii Tzou . . . . 27925 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27925 _Assembly.ID 1 _Assembly.Name 'Protrusio domain monomer' _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 'Protrusio domain monomer' 1 $Protrusion_domain A . yes native no no . . . 27925 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Protrusion_domain _Entity.Sf_category entity _Entity.Sf_framecode Protrusion_domain _Entity.Entry_ID 27925 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Protrusion_domain _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; TPEETTAPIMTQGSLYNDSL STNDFKSILLGSTPLDIAPD GAVFQLDRPLSIDYSLGTGD VDRAVYWHLKKFAGNAGTPA GWFRWGIWDNFNKTFTDGVA YYSDEQPRQILLPVGTVCTR VDSEN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'This is the protrusion domain of Dragon grouper nervous necrosis virus coat protein' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 125 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'Protrusion domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13809.3 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP Q9E6H7 . 'Coat protein' . . . . . . . . . . . . . . 27925 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . THR . 27925 1 2 . PRO . 27925 1 3 . GLU . 27925 1 4 . GLU . 27925 1 5 . THR . 27925 1 6 . THR . 27925 1 7 . ALA . 27925 1 8 . PRO . 27925 1 9 . ILE . 27925 1 10 . MET . 27925 1 11 . THR . 27925 1 12 . GLN . 27925 1 13 . GLY . 27925 1 14 . SER . 27925 1 15 . LEU . 27925 1 16 . TYR . 27925 1 17 . ASN . 27925 1 18 . ASP . 27925 1 19 . SER . 27925 1 20 . LEU . 27925 1 21 . SER . 27925 1 22 . THR . 27925 1 23 . ASN . 27925 1 24 . ASP . 27925 1 25 . PHE . 27925 1 26 . LYS . 27925 1 27 . SER . 27925 1 28 . ILE . 27925 1 29 . LEU . 27925 1 30 . LEU . 27925 1 31 . GLY . 27925 1 32 . SER . 27925 1 33 . THR . 27925 1 34 . PRO . 27925 1 35 . LEU . 27925 1 36 . ASP . 27925 1 37 . ILE . 27925 1 38 . ALA . 27925 1 39 . PRO . 27925 1 40 . ASP . 27925 1 41 . GLY . 27925 1 42 . ALA . 27925 1 43 . VAL . 27925 1 44 . PHE . 27925 1 45 . GLN . 27925 1 46 . LEU . 27925 1 47 . ASP . 27925 1 48 . ARG . 27925 1 49 . PRO . 27925 1 50 . LEU . 27925 1 51 . SER . 27925 1 52 . ILE . 27925 1 53 . ASP . 27925 1 54 . TYR . 27925 1 55 . SER . 27925 1 56 . LEU . 27925 1 57 . GLY . 27925 1 58 . THR . 27925 1 59 . GLY . 27925 1 60 . ASP . 27925 1 61 . VAL . 27925 1 62 . ASP . 27925 1 63 . ARG . 27925 1 64 . ALA . 27925 1 65 . VAL . 27925 1 66 . TYR . 27925 1 67 . TRP . 27925 1 68 . HIS . 27925 1 69 . LEU . 27925 1 70 . LYS . 27925 1 71 . LYS . 27925 1 72 . PHE . 27925 1 73 . ALA . 27925 1 74 . GLY . 27925 1 75 . ASN . 27925 1 76 . ALA . 27925 1 77 . GLY . 27925 1 78 . THR . 27925 1 79 . PRO . 27925 1 80 . ALA . 27925 1 81 . GLY . 27925 1 82 . TRP . 27925 1 83 . PHE . 27925 1 84 . ARG . 27925 1 85 . TRP . 27925 1 86 . GLY . 27925 1 87 . ILE . 27925 1 88 . TRP . 27925 1 89 . ASP . 27925 1 90 . ASN . 27925 1 91 . PHE . 27925 1 92 . ASN . 27925 1 93 . LYS . 27925 1 94 . THR . 27925 1 95 . PHE . 27925 1 96 . THR . 27925 1 97 . ASP . 27925 1 98 . GLY . 27925 1 99 . VAL . 27925 1 100 . ALA . 27925 1 101 . TYR . 27925 1 102 . TYR . 27925 1 103 . SER . 27925 1 104 . ASP . 27925 1 105 . GLU . 27925 1 106 . GLN . 27925 1 107 . PRO . 27925 1 108 . ARG . 27925 1 109 . GLN . 27925 1 110 . ILE . 27925 1 111 . LEU . 27925 1 112 . LEU . 27925 1 113 . PRO . 27925 1 114 . VAL . 27925 1 115 . GLY . 27925 1 116 . THR . 27925 1 117 . VAL . 27925 1 118 . CYS . 27925 1 119 . THR . 27925 1 120 . ARG . 27925 1 121 . VAL . 27925 1 122 . ASP . 27925 1 123 . SER . 27925 1 124 . GLU . 27925 1 125 . ASN . 27925 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 . THR 1 1 27925 1 . PRO 2 2 27925 1 . GLU 3 3 27925 1 . GLU 4 4 27925 1 . THR 5 5 27925 1 . THR 6 6 27925 1 . ALA 7 7 27925 1 . PRO 8 8 27925 1 . ILE 9 9 27925 1 . MET 10 10 27925 1 . THR 11 11 27925 1 . GLN 12 12 27925 1 . GLY 13 13 27925 1 . SER 14 14 27925 1 . LEU 15 15 27925 1 . TYR 16 16 27925 1 . ASN 17 17 27925 1 . ASP 18 18 27925 1 . SER 19 19 27925 1 . LEU 20 20 27925 1 . SER 21 21 27925 1 . THR 22 22 27925 1 . ASN 23 23 27925 1 . ASP 24 24 27925 1 . PHE 25 25 27925 1 . LYS 26 26 27925 1 . SER 27 27 27925 1 . ILE 28 28 27925 1 . LEU 29 29 27925 1 . LEU 30 30 27925 1 . GLY 31 31 27925 1 . SER 32 32 27925 1 . THR 33 33 27925 1 . PRO 34 34 27925 1 . LEU 35 35 27925 1 . ASP 36 36 27925 1 . ILE 37 37 27925 1 . ALA 38 38 27925 1 . PRO 39 39 27925 1 . ASP 40 40 27925 1 . GLY 41 41 27925 1 . ALA 42 42 27925 1 . VAL 43 43 27925 1 . PHE 44 44 27925 1 . GLN 45 45 27925 1 . LEU 46 46 27925 1 . ASP 47 47 27925 1 . ARG 48 48 27925 1 . PRO 49 49 27925 1 . LEU 50 50 27925 1 . SER 51 51 27925 1 . ILE 52 52 27925 1 . ASP 53 53 27925 1 . TYR 54 54 27925 1 . SER 55 55 27925 1 . LEU 56 56 27925 1 . GLY 57 57 27925 1 . THR 58 58 27925 1 . GLY 59 59 27925 1 . ASP 60 60 27925 1 . VAL 61 61 27925 1 . ASP 62 62 27925 1 . ARG 63 63 27925 1 . ALA 64 64 27925 1 . VAL 65 65 27925 1 . TYR 66 66 27925 1 . TRP 67 67 27925 1 . HIS 68 68 27925 1 . LEU 69 69 27925 1 . LYS 70 70 27925 1 . LYS 71 71 27925 1 . PHE 72 72 27925 1 . ALA 73 73 27925 1 . GLY 74 74 27925 1 . ASN 75 75 27925 1 . ALA 76 76 27925 1 . GLY 77 77 27925 1 . THR 78 78 27925 1 . PRO 79 79 27925 1 . ALA 80 80 27925 1 . GLY 81 81 27925 1 . TRP 82 82 27925 1 . PHE 83 83 27925 1 . ARG 84 84 27925 1 . TRP 85 85 27925 1 . GLY 86 86 27925 1 . ILE 87 87 27925 1 . TRP 88 88 27925 1 . ASP 89 89 27925 1 . ASN 90 90 27925 1 . PHE 91 91 27925 1 . ASN 92 92 27925 1 . LYS 93 93 27925 1 . THR 94 94 27925 1 . PHE 95 95 27925 1 . THR 96 96 27925 1 . ASP 97 97 27925 1 . GLY 98 98 27925 1 . VAL 99 99 27925 1 . ALA 100 100 27925 1 . TYR 101 101 27925 1 . TYR 102 102 27925 1 . SER 103 103 27925 1 . ASP 104 104 27925 1 . GLU 105 105 27925 1 . GLN 106 106 27925 1 . PRO 107 107 27925 1 . ARG 108 108 27925 1 . GLN 109 109 27925 1 . ILE 110 110 27925 1 . LEU 111 111 27925 1 . LEU 112 112 27925 1 . PRO 113 113 27925 1 . VAL 114 114 27925 1 . GLY 115 115 27925 1 . THR 116 116 27925 1 . VAL 117 117 27925 1 . CYS 118 118 27925 1 . THR 119 119 27925 1 . ARG 120 120 27925 1 . VAL 121 121 27925 1 . ASP 122 122 27925 1 . SER 123 123 27925 1 . GLU 124 124 27925 1 . ASN 125 125 27925 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 27925 _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 $Protrusion_domain . 292633 virus . Betanodavirus 'Dragon grouper nervous necrosis virus' . . virus . betanodavirus . . . . . . . . . . . . 'coat protein [Dragon grouper nervous necrosis virus]' . 27925 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 27925 _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 $Protrusion_domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'B strain' 'BL21 (DE3)' . . . . pETDuet . . . 27925 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27925 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Protrusion Domain' '[U15N; U13C]' . . 1 $Protrusion_domain . . 1.2 . . mM . . . . 27925 1 2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 27925 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 27925 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 27925 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 27925 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 0.12 . M 27925 1 pH 7.0 . pH 27925 1 pressure 1 . atm 27925 1 temperature 298 . K 27925 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27925 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27925 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 27925 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27925 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27925 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 27925 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 27925 1 2 spectrometer_2 Bruker Avance . 800 . . . 27925 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 27925 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27925 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27925 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27925 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27925 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27925 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27925 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27925 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27925 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27925 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 0.00 na indirect 0.251449530 . . . . . 27925 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27925 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27925 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27925 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.15 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27925 1 2 '2D 1H-13C HSQC' . . . 27925 1 4 '3D HNCO' . . . 27925 1 5 '3D HNCACB' . . . 27925 1 6 '3D HBHA(CO)NH' . . . 27925 1 7 '3D HCCH-TOCSY' . . . 27925 1 8 '3D 1H-15N NOESY' . . . 27925 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 PRO HA H 1 4.4750 0.01 . 1 . . . . . 2 PRO HA . 27925 1 2 . 1 . 1 2 2 PRO HB2 H 1 2.3690 0.01 . 2 . . . . . 2 PRO HB2 . 27925 1 3 . 1 . 1 2 2 PRO HB3 H 1 1.9390 0.01 . 2 . . . . . 2 PRO HB3 . 27925 1 4 . 1 . 1 2 2 PRO HG2 H 1 2.0910 0.01 . 2 . . . . . 2 PRO HG2 . 27925 1 5 . 1 . 1 2 2 PRO HG3 H 1 1.9940 0.01 . 2 . . . . . 2 PRO HG3 . 27925 1 6 . 1 . 1 2 2 PRO HD2 H 1 3.8070 0.01 . 2 . . . . . 2 PRO HD2 . 27925 1 7 . 1 . 1 2 2 PRO HD3 H 1 3.7260 0.01 . 2 . . . . . 2 PRO HD3 . 27925 1 8 . 1 . 1 2 2 PRO C C 13 175.8950 0.15 . 1 . . . . . 2 PRO C . 27925 1 9 . 1 . 1 2 2 PRO CA C 13 63.7900 0.15 . 1 . . . . . 2 PRO CA . 27925 1 10 . 1 . 1 2 2 PRO CB C 13 32.1000 0.15 . 1 . . . . . 2 PRO CB . 27925 1 11 . 1 . 1 2 2 PRO CG C 13 27.5900 0.15 . 1 . . . . . 2 PRO CG . 27925 1 12 . 1 . 1 2 2 PRO CD C 13 51.0800 0.15 . 1 . . . . . 2 PRO CD . 27925 1 13 . 1 . 1 3 3 GLU H H 1 8.6290 0.01 . 1 . . . . . 3 GLU H . 27925 1 14 . 1 . 1 3 3 GLU HA H 1 4.2440 0.01 . 1 . . . . . 3 GLU HA . 27925 1 15 . 1 . 1 3 3 GLU HB2 H 1 1.9610 0.01 . 2 . . . . . 3 GLU HB2 . 27925 1 16 . 1 . 1 3 3 GLU HB3 H 1 2.0500 0.01 . 2 . . . . . 3 GLU HB3 . 27925 1 17 . 1 . 1 3 3 GLU HG2 H 1 2.2450 0.01 . 2 . . . . . 3 GLU HG2 . 27925 1 18 . 1 . 1 3 3 GLU HG3 H 1 2.3040 0.01 . 2 . . . . . 3 GLU HG3 . 27925 1 19 . 1 . 1 3 3 GLU C C 13 175.7700 0.15 . 1 . . . . . 3 GLU C . 27925 1 20 . 1 . 1 3 3 GLU CA C 13 57.0600 0.15 . 1 . . . . . 3 GLU CA . 27925 1 21 . 1 . 1 3 3 GLU CB C 13 29.9200 0.15 . 1 . . . . . 3 GLU CB . 27925 1 22 . 1 . 1 3 3 GLU CG C 13 36.4000 0.15 . 1 . . . . . 3 GLU CG . 27925 1 23 . 1 . 1 3 3 GLU N N 15 120.7100 0.1 . 1 . . . . . 3 GLU N . 27925 1 24 . 1 . 1 4 4 GLU H H 1 8.3370 0.01 . 1 . . . . . 4 GLU H . 27925 1 25 . 1 . 1 4 4 GLU HA H 1 4.3650 0.01 . 1 . . . . . 4 GLU HA . 27925 1 26 . 1 . 1 4 4 GLU HB2 H 1 2.0920 0.01 . 2 . . . . . 4 GLU HB2 . 27925 1 27 . 1 . 1 4 4 GLU HB3 H 1 1.9910 0.01 . 2 . . . . . 4 GLU HB3 . 27925 1 28 . 1 . 1 4 4 GLU HG2 H 1 2.2500 0.01 . 2 . . . . . 4 GLU HG2 . 27925 1 29 . 1 . 1 4 4 GLU HG3 H 1 2.3020 0.01 . 2 . . . . . 4 GLU HG3 . 27925 1 30 . 1 . 1 4 4 GLU C C 13 175.7700 0.15 . 1 . . . . . 4 GLU C . 27925 1 31 . 1 . 1 4 4 GLU CA C 13 56.8600 0.15 . 1 . . . . . 4 GLU CA . 27925 1 32 . 1 . 1 4 4 GLU CB C 13 30.3000 0.15 . 1 . . . . . 4 GLU CB . 27925 1 33 . 1 . 1 4 4 GLU CG C 13 36.4900 0.15 . 1 . . . . . 4 GLU CG . 27925 1 34 . 1 . 1 4 4 GLU N N 15 121.6400 0.1 . 1 . . . . . 4 GLU N . 27925 1 35 . 1 . 1 5 5 THR H H 1 8.2590 0.01 . 1 . . . . . 5 THR H . 27925 1 36 . 1 . 1 5 5 THR HA H 1 4.4140 0.01 . 1 . . . . . 5 THR HA . 27925 1 37 . 1 . 1 5 5 THR HB H 1 4.2450 0.01 . 1 . . . . . 5 THR HB . 27925 1 38 . 1 . 1 5 5 THR HG21 H 1 1.2260 0.01 . 1 . . . . . 5 THR HG21 . 27925 1 39 . 1 . 1 5 5 THR HG22 H 1 1.2260 0.01 . 1 . . . . . 5 THR HG21 . 27925 1 40 . 1 . 1 5 5 THR HG23 H 1 1.2260 0.01 . 1 . . . . . 5 THR HG21 . 27925 1 41 . 1 . 1 5 5 THR C C 13 173.7400 0.15 . 1 . . . . . 5 THR C . 27925 1 42 . 1 . 1 5 5 THR CA C 13 62.2300 0.15 . 1 . . . . . 5 THR CA . 27925 1 43 . 1 . 1 5 5 THR CB C 13 69.9000 0.15 . 1 . . . . . 5 THR CB . 27925 1 44 . 1 . 1 5 5 THR CG2 C 13 21.7000 0.15 . 1 . . . . . 5 THR CG2 . 27925 1 45 . 1 . 1 5 5 THR N N 15 115.6200 0.1 . 1 . . . . . 5 THR N . 27925 1 46 . 1 . 1 6 6 THR H H 1 8.1860 0.01 . 1 . . . . . 6 THR H . 27925 1 47 . 1 . 1 6 6 THR HA H 1 4.3500 0.01 . 1 . . . . . 6 THR HA . 27925 1 48 . 1 . 1 6 6 THR HB H 1 4.2450 0.01 . 1 . . . . . 6 THR HB . 27925 1 49 . 1 . 1 6 6 THR HG21 H 1 1.2260 0.01 . 1 . . . . . 6 THR HG21 . 27925 1 50 . 1 . 1 6 6 THR HG22 H 1 1.2260 0.01 . 1 . . . . . 6 THR HG21 . 27925 1 51 . 1 . 1 6 6 THR HG23 H 1 1.2260 0.01 . 1 . . . . . 6 THR HG21 . 27925 1 52 . 1 . 1 6 6 THR C C 13 172.7170 0.15 . 1 . . . . . 6 THR C . 27925 1 53 . 1 . 1 6 6 THR CA C 13 61.9800 0.15 . 1 . . . . . 6 THR CA . 27925 1 54 . 1 . 1 6 6 THR CB C 13 69.9000 0.15 . 1 . . . . . 6 THR CB . 27925 1 55 . 1 . 1 6 6 THR CG2 C 13 21.7000 0.15 . 1 . . . . . 6 THR CG2 . 27925 1 56 . 1 . 1 6 6 THR N N 15 116.8500 0.1 . 1 . . . . . 6 THR N . 27925 1 57 . 1 . 1 7 7 ALA H H 1 8.2400 0.01 . 1 . . . . . 7 ALA H . 27925 1 58 . 1 . 1 7 7 ALA HA H 1 4.6500 0.01 . 1 . . . . . 7 ALA HA . 27925 1 59 . 1 . 1 7 7 ALA HB1 H 1 1.3980 0.01 . 1 . . . . . 7 ALA HB1 . 27925 1 60 . 1 . 1 7 7 ALA HB2 H 1 1.3980 0.01 . 1 . . . . . 7 ALA HB1 . 27925 1 61 . 1 . 1 7 7 ALA HB3 H 1 1.3980 0.01 . 1 . . . . . 7 ALA HB1 . 27925 1 62 . 1 . 1 7 7 ALA C C 13 174.2670 0.15 . 1 . . . . . 7 ALA C . 27925 1 63 . 1 . 1 7 7 ALA CA C 13 50.6000 0.15 . 1 . . . . . 7 ALA CA . 27925 1 64 . 1 . 1 7 7 ALA CB C 13 18.3000 0.15 . 1 . . . . . 7 ALA CB . 27925 1 65 . 1 . 1 7 7 ALA N N 15 128.4400 0.1 . 1 . . . . . 7 ALA N . 27925 1 66 . 1 . 1 8 8 PRO HA H 1 4.5040 0.01 . 1 . . . . . 8 PRO HA . 27925 1 67 . 1 . 1 8 8 PRO HB2 H 1 2.2610 0.01 . 2 . . . . . 8 PRO HB2 . 27925 1 68 . 1 . 1 8 8 PRO HB3 H 1 1.7650 0.01 . 2 . . . . . 8 PRO HB3 . 27925 1 69 . 1 . 1 8 8 PRO HG2 H 1 2.0220 0.01 . 2 . . . . . 8 PRO HG2 . 27925 1 70 . 1 . 1 8 8 PRO HG3 H 1 1.8280 0.01 . 2 . . . . . 8 PRO HG3 . 27925 1 71 . 1 . 1 8 8 PRO HD2 H 1 3.8410 0.01 . 2 . . . . . 8 PRO HD2 . 27925 1 72 . 1 . 1 8 8 PRO HD3 H 1 3.6470 0.01 . 2 . . . . . 8 PRO HD3 . 27925 1 73 . 1 . 1 8 8 PRO C C 13 175.3650 0.15 . 1 . . . . . 8 PRO C . 27925 1 74 . 1 . 1 8 8 PRO CA C 13 62.8900 0.15 . 1 . . . . . 8 PRO CA . 27925 1 75 . 1 . 1 8 8 PRO CB C 13 32.7200 0.15 . 1 . . . . . 8 PRO CB . 27925 1 76 . 1 . 1 8 8 PRO CG C 13 27.4000 0.15 . 1 . . . . . 8 PRO CG . 27925 1 77 . 1 . 1 8 8 PRO CD C 13 50.5000 0.15 . 1 . . . . . 8 PRO CD . 27925 1 78 . 1 . 1 9 9 ILE H H 1 8.7420 0.01 . 1 . . . . . 9 ILE H . 27925 1 79 . 1 . 1 9 9 ILE HA H 1 3.9560 0.01 . 1 . . . . . 9 ILE HA . 27925 1 80 . 1 . 1 9 9 ILE HB H 1 2.0160 0.01 . 1 . . . . . 9 ILE HB . 27925 1 81 . 1 . 1 9 9 ILE HG12 H 1 1.2080 0.01 . 2 . . . . . 9 ILE HG12 . 27925 1 82 . 1 . 1 9 9 ILE HG13 H 1 1.4650 0.01 . 2 . . . . . 9 ILE HG13 . 27925 1 83 . 1 . 1 9 9 ILE HG21 H 1 0.6240 0.01 . 1 . . . . . 9 ILE HG21 . 27925 1 84 . 1 . 1 9 9 ILE HG22 H 1 0.6240 0.01 . 1 . . . . . 9 ILE HG21 . 27925 1 85 . 1 . 1 9 9 ILE HG23 H 1 0.6240 0.01 . 1 . . . . . 9 ILE HG21 . 27925 1 86 . 1 . 1 9 9 ILE HD11 H 1 0.8790 0.01 . 1 . . . . . 9 ILE HD11 . 27925 1 87 . 1 . 1 9 9 ILE HD12 H 1 0.8790 0.01 . 1 . . . . . 9 ILE HD11 . 27925 1 88 . 1 . 1 9 9 ILE HD13 H 1 0.8790 0.01 . 1 . . . . . 9 ILE HD11 . 27925 1 89 . 1 . 1 9 9 ILE C C 13 173.5080 0.15 . 1 . . . . . 9 ILE C . 27925 1 90 . 1 . 1 9 9 ILE CA C 13 61.8600 0.15 . 1 . . . . . 9 ILE CA . 27925 1 91 . 1 . 1 9 9 ILE CB C 13 39.2900 0.15 . 1 . . . . . 9 ILE CB . 27925 1 92 . 1 . 1 9 9 ILE CG1 C 13 27.1000 0.15 . 1 . . . . . 9 ILE CG1 . 27925 1 93 . 1 . 1 9 9 ILE CG2 C 13 18.1200 0.15 . 1 . . . . . 9 ILE CG2 . 27925 1 94 . 1 . 1 9 9 ILE CD1 C 13 14.3700 0.15 . 1 . . . . . 9 ILE CD1 . 27925 1 95 . 1 . 1 9 9 ILE N N 15 123.8500 0.1 . 1 . . . . . 9 ILE N . 27925 1 96 . 1 . 1 10 10 MET H H 1 8.0620 0.01 . 1 . . . . . 10 MET H . 27925 1 97 . 1 . 1 10 10 MET HA H 1 5.5200 0.01 . 1 . . . . . 10 MET HA . 27925 1 98 . 1 . 1 10 10 MET HB2 H 1 1.7800 0.01 . 2 . . . . . 10 MET HB2 . 27925 1 99 . 1 . 1 10 10 MET HB3 H 1 1.8300 0.01 . 2 . . . . . 10 MET HB3 . 27925 1 100 . 1 . 1 10 10 MET HG2 H 1 2.3700 0.01 . 2 . . . . . 10 MET HG2 . 27925 1 101 . 1 . 1 10 10 MET HG3 H 1 2.4500 0.01 . 2 . . . . . 10 MET HG3 . 27925 1 102 . 1 . 1 10 10 MET HE1 H 1 1.9390 0.01 . 1 . . . . . 10 MET HE1 . 27925 1 103 . 1 . 1 10 10 MET HE2 H 1 1.9390 0.01 . 1 . . . . . 10 MET HE1 . 27925 1 104 . 1 . 1 10 10 MET HE3 H 1 1.9390 0.01 . 1 . . . . . 10 MET HE1 . 27925 1 105 . 1 . 1 10 10 MET C C 13 176.2590 0.15 . 1 . . . . . 10 MET C . 27925 1 106 . 1 . 1 10 10 MET CA C 13 53.4000 0.15 . 1 . . . . . 10 MET CA . 27925 1 107 . 1 . 1 10 10 MET CB C 13 32.6000 0.15 . 1 . . . . . 10 MET CB . 27925 1 108 . 1 . 1 10 10 MET CG C 13 32.6000 0.15 . 1 . . . . . 10 MET CG . 27925 1 109 . 1 . 1 10 10 MET N N 15 124.7800 0.1 . 1 . . . . . 10 MET N . 27925 1 110 . 1 . 1 11 11 THR H H 1 9.3930 0.01 . 1 . . . . . 11 THR H . 27925 1 111 . 1 . 1 11 11 THR HA H 1 4.6680 0.01 . 1 . . . . . 11 THR HA . 27925 1 112 . 1 . 1 11 11 THR HB H 1 4.0410 0.01 . 1 . . . . . 11 THR HB . 27925 1 113 . 1 . 1 11 11 THR HG21 H 1 1.1170 0.01 . 1 . . . . . 11 THR HG21 . 27925 1 114 . 1 . 1 11 11 THR HG22 H 1 1.1170 0.01 . 1 . . . . . 11 THR HG21 . 27925 1 115 . 1 . 1 11 11 THR HG23 H 1 1.1170 0.01 . 1 . . . . . 11 THR HG21 . 27925 1 116 . 1 . 1 11 11 THR C C 13 174.8450 0.15 . 1 . . . . . 11 THR C . 27925 1 117 . 1 . 1 11 11 THR CA C 13 62.8900 0.15 . 1 . . . . . 11 THR CA . 27925 1 118 . 1 . 1 11 11 THR CB C 13 69.1200 0.15 . 1 . . . . . 11 THR CB . 27925 1 119 . 1 . 1 11 11 THR CG2 C 13 22.7000 0.15 . 1 . . . . . 11 THR CG2 . 27925 1 120 . 1 . 1 11 11 THR N N 15 115.6600 0.1 . 1 . . . . . 11 THR N . 27925 1 121 . 1 . 1 12 12 GLN H H 1 8.4620 0.01 . 1 . . . . . 12 GLN H . 27925 1 122 . 1 . 1 12 12 GLN HA H 1 4.6020 0.01 . 1 . . . . . 12 GLN HA . 27925 1 123 . 1 . 1 12 12 GLN HB2 H 1 2.0150 0.01 . 2 . . . . . 12 GLN HB2 . 27925 1 124 . 1 . 1 12 12 GLN HB3 H 1 2.0150 0.01 . 2 . . . . . 12 GLN HB3 . 27925 1 125 . 1 . 1 12 12 GLN HG2 H 1 2.4680 0.01 . 2 . . . . . 12 GLN HG2 . 27925 1 126 . 1 . 1 12 12 GLN HG3 H 1 2.4680 0.01 . 2 . . . . . 12 GLN HG3 . 27925 1 127 . 1 . 1 12 12 GLN HE21 H 1 6.9460 0.01 . 2 . . . . . 12 GLN HE21 . 27925 1 128 . 1 . 1 12 12 GLN HE22 H 1 7.3320 0.01 . 2 . . . . . 12 GLN HE22 . 27925 1 129 . 1 . 1 12 12 GLN C C 13 173.2970 0.15 . 1 . . . . . 12 GLN C . 27925 1 130 . 1 . 1 12 12 GLN CA C 13 55.4900 0.15 . 1 . . . . . 12 GLN CA . 27925 1 131 . 1 . 1 12 12 GLN CB C 13 30.7400 0.15 . 1 . . . . . 12 GLN CB . 27925 1 132 . 1 . 1 12 12 GLN CG C 13 34.3500 0.15 . 1 . . . . . 12 GLN CG . 27925 1 133 . 1 . 1 12 12 GLN N N 15 118.8100 0.1 . 1 . . . . . 12 GLN N . 27925 1 134 . 1 . 1 12 12 GLN NE2 N 15 112.3530 0.1 . 1 . . . . . 12 GLN NE2 . 27925 1 135 . 1 . 1 13 13 GLY H H 1 7.4170 0.01 . 1 . . . . . 13 GLY H . 27925 1 136 . 1 . 1 13 13 GLY HA2 H 1 3.6490 0.01 . 2 . . . . . 13 GLY HA2 . 27925 1 137 . 1 . 1 13 13 GLY HA3 H 1 4.4380 0.01 . 2 . . . . . 13 GLY HA3 . 27925 1 138 . 1 . 1 13 13 GLY C C 13 170.8230 0.15 . 1 . . . . . 13 GLY C . 27925 1 139 . 1 . 1 13 13 GLY CA C 13 43.9500 0.15 . 1 . . . . . 13 GLY CA . 27925 1 140 . 1 . 1 13 13 GLY N N 15 109.7000 0.1 . 1 . . . . . 13 GLY N . 27925 1 141 . 1 . 1 14 14 SER H H 1 8.5930 0.01 . 1 . . . . . 14 SER H . 27925 1 142 . 1 . 1 14 14 SER HA H 1 4.5950 0.01 . 1 . . . . . 14 SER HA . 27925 1 143 . 1 . 1 14 14 SER HB2 H 1 3.9390 0.01 . 2 . . . . . 14 SER HB2 . 27925 1 144 . 1 . 1 14 14 SER HB3 H 1 3.9390 0.01 . 2 . . . . . 14 SER HB3 . 27925 1 145 . 1 . 1 14 14 SER C C 13 171.0100 0.15 . 1 . . . . . 14 SER C . 27925 1 146 . 1 . 1 14 14 SER CA C 13 59.1900 0.15 . 1 . . . . . 14 SER CA . 27925 1 147 . 1 . 1 14 14 SER CB C 13 61.9500 0.15 . 1 . . . . . 14 SER CB . 27925 1 148 . 1 . 1 14 14 SER N N 15 119.0800 0.1 . 1 . . . . . 14 SER N . 27925 1 149 . 1 . 1 15 15 LEU HA H 1 4.5220 0.01 . 1 . . . . . 15 LEU HA . 27925 1 150 . 1 . 1 15 15 LEU HB2 H 1 1.4950 0.01 . 2 . . . . . 15 LEU HB2 . 27925 1 151 . 1 . 1 15 15 LEU HB3 H 1 0.8350 0.01 . 2 . . . . . 15 LEU HB3 . 27925 1 152 . 1 . 1 15 15 LEU HG H 1 0.8470 0.01 . 1 . . . . . 15 LEU HG . 27925 1 153 . 1 . 1 15 15 LEU HD11 H 1 0.3220 0.01 . 2 . . . . . 15 LEU HD11 . 27925 1 154 . 1 . 1 15 15 LEU HD12 H 1 0.3220 0.01 . 2 . . . . . 15 LEU HD11 . 27925 1 155 . 1 . 1 15 15 LEU HD13 H 1 0.3220 0.01 . 2 . . . . . 15 LEU HD11 . 27925 1 156 . 1 . 1 15 15 LEU HD21 H 1 -0.1500 0.01 . 2 . . . . . 15 LEU HD21 . 27925 1 157 . 1 . 1 15 15 LEU HD22 H 1 -0.1500 0.01 . 2 . . . . . 15 LEU HD21 . 27925 1 158 . 1 . 1 15 15 LEU HD23 H 1 -0.1500 0.01 . 2 . . . . . 15 LEU HD21 . 27925 1 159 . 1 . 1 15 15 LEU C C 13 174.3500 0.15 . 1 . . . . . 15 LEU C . 27925 1 160 . 1 . 1 15 15 LEU CA C 13 53.1200 0.15 . 1 . . . . . 15 LEU CA . 27925 1 161 . 1 . 1 15 15 LEU CB C 13 44.3200 0.15 . 1 . . . . . 15 LEU CB . 27925 1 162 . 1 . 1 15 15 LEU CG C 13 26.5900 0.15 . 1 . . . . . 15 LEU CG . 27925 1 163 . 1 . 1 15 15 LEU CD1 C 13 23.0500 0.15 . 2 . . . . . 15 LEU CD1 . 27925 1 164 . 1 . 1 15 15 LEU CD2 C 13 25.1200 0.15 . 2 . . . . . 15 LEU CD2 . 27925 1 165 . 1 . 1 16 16 TYR H H 1 9.2010 0.01 . 1 . . . . . 16 TYR H . 27925 1 166 . 1 . 1 16 16 TYR HA H 1 4.9870 0.01 . 1 . . . . . 16 TYR HA . 27925 1 167 . 1 . 1 16 16 TYR HB2 H 1 2.9980 0.01 . 2 . . . . . 16 TYR HB2 . 27925 1 168 . 1 . 1 16 16 TYR HB3 H 1 2.9480 0.01 . 2 . . . . . 16 TYR HB3 . 27925 1 169 . 1 . 1 16 16 TYR HD1 H 1 6.8600 0.01 . 3 . . . . . 16 TYR HD1 . 27925 1 170 . 1 . 1 16 16 TYR HD2 H 1 6.8600 0.01 . 3 . . . . . 16 TYR HD2 . 27925 1 171 . 1 . 1 16 16 TYR HE1 H 1 6.6580 0.01 . 3 . . . . . 16 TYR HE1 . 27925 1 172 . 1 . 1 16 16 TYR HE2 H 1 6.6580 0.01 . 3 . . . . . 16 TYR HE2 . 27925 1 173 . 1 . 1 16 16 TYR C C 13 175.5220 0.15 . 1 . . . . . 16 TYR C . 27925 1 174 . 1 . 1 16 16 TYR CA C 13 57.3700 0.15 . 1 . . . . . 16 TYR CA . 27925 1 175 . 1 . 1 16 16 TYR CB C 13 41.1400 0.15 . 1 . . . . . 16 TYR CB . 27925 1 176 . 1 . 1 16 16 TYR CD1 C 13 133.1800 0.15 . 3 . . . . . 16 TYR CD1 . 27925 1 177 . 1 . 1 16 16 TYR CD2 C 13 133.1800 0.15 . 3 . . . . . 16 TYR CD2 . 27925 1 178 . 1 . 1 16 16 TYR CE1 C 13 118.4500 0.15 . 3 . . . . . 16 TYR CE1 . 27925 1 179 . 1 . 1 16 16 TYR CE2 C 13 118.4500 0.15 . 3 . . . . . 16 TYR CE2 . 27925 1 180 . 1 . 1 16 16 TYR N N 15 127.9700 0.1 . 1 . . . . . 16 TYR N . 27925 1 181 . 1 . 1 17 17 ASN H H 1 9.0040 0.01 . 1 . . . . . 17 ASN H . 27925 1 182 . 1 . 1 17 17 ASN HA H 1 3.9860 0.01 . 1 . . . . . 17 ASN HA . 27925 1 183 . 1 . 1 17 17 ASN HB2 H 1 2.5900 0.01 . 2 . . . . . 17 ASN HB2 . 27925 1 184 . 1 . 1 17 17 ASN HB3 H 1 3.3950 0.01 . 2 . . . . . 17 ASN HB3 . 27925 1 185 . 1 . 1 17 17 ASN HD21 H 1 7.3980 0.01 . 2 . . . . . 17 ASN HD21 . 27925 1 186 . 1 . 1 17 17 ASN HD22 H 1 8.1930 0.01 . 2 . . . . . 17 ASN HD22 . 27925 1 187 . 1 . 1 17 17 ASN C C 13 174.4980 0.15 . 1 . . . . . 17 ASN C . 27925 1 188 . 1 . 1 17 17 ASN CA C 13 55.7800 0.15 . 1 . . . . . 17 ASN CA . 27925 1 189 . 1 . 1 17 17 ASN CB C 13 35.7000 0.15 . 1 . . . . . 17 ASN CB . 27925 1 190 . 1 . 1 17 17 ASN N N 15 120.0800 0.1 . 1 . . . . . 17 ASN N . 27925 1 191 . 1 . 1 17 17 ASN ND2 N 15 114.5260 0.1 . 1 . . . . . 17 ASN ND2 . 27925 1 192 . 1 . 1 18 18 ASP H H 1 7.9300 0.01 . 1 . . . . . 18 ASP H . 27925 1 193 . 1 . 1 18 18 ASP HA H 1 4.6850 0.01 . 1 . . . . . 18 ASP HA . 27925 1 194 . 1 . 1 18 18 ASP HB2 H 1 2.6810 0.01 . 2 . . . . . 18 ASP HB2 . 27925 1 195 . 1 . 1 18 18 ASP HB3 H 1 3.0310 0.01 . 2 . . . . . 18 ASP HB3 . 27925 1 196 . 1 . 1 18 18 ASP C C 13 176.2490 0.15 . 1 . . . . . 18 ASP C . 27925 1 197 . 1 . 1 18 18 ASP CA C 13 54.5300 0.15 . 1 . . . . . 18 ASP CA . 27925 1 198 . 1 . 1 18 18 ASP CB C 13 39.3100 0.15 . 1 . . . . . 18 ASP CB . 27925 1 199 . 1 . 1 18 18 ASP N N 15 117.3800 0.1 . 1 . . . . . 18 ASP N . 27925 1 200 . 1 . 1 19 19 SER H H 1 7.7730 0.01 . 1 . . . . . 19 SER H . 27925 1 201 . 1 . 1 19 19 SER HA H 1 4.7170 0.01 . 1 . . . . . 19 SER HA . 27925 1 202 . 1 . 1 19 19 SER HB2 H 1 4.0500 0.01 . 2 . . . . . 19 SER HB2 . 27925 1 203 . 1 . 1 19 19 SER HB3 H 1 4.2640 0.01 . 2 . . . . . 19 SER HB3 . 27925 1 204 . 1 . 1 19 19 SER HG H 1 4.4590 0.01 . 1 . . . . . 19 SER HG . 27925 1 205 . 1 . 1 19 19 SER C C 13 172.6320 0.15 . 1 . . . . . 19 SER C . 27925 1 206 . 1 . 1 19 19 SER CA C 13 59.0800 0.15 . 1 . . . . . 19 SER CA . 27925 1 207 . 1 . 1 19 19 SER CB C 13 64.5500 0.15 . 1 . . . . . 19 SER CB . 27925 1 208 . 1 . 1 19 19 SER N N 15 114.6500 0.1 . 1 . . . . . 19 SER N . 27925 1 209 . 1 . 1 20 20 LEU H H 1 7.3240 0.01 . 1 . . . . . 20 LEU H . 27925 1 210 . 1 . 1 20 20 LEU HA H 1 4.4680 0.01 . 1 . . . . . 20 LEU HA . 27925 1 211 . 1 . 1 20 20 LEU HB2 H 1 1.9900 0.01 . 1 . . . . . 20 LEU HB2 . 27925 1 212 . 1 . 1 20 20 LEU HB3 H 1 1.6300 0.01 . 2 . . . . . 20 LEU HB3 . 27925 1 213 . 1 . 1 20 20 LEU HG H 1 1.5980 0.01 . 1 . . . . . 20 LEU HG . 27925 1 214 . 1 . 1 20 20 LEU HD11 H 1 0.3320 0.01 . 2 . . . . . 20 LEU HD11 . 27925 1 215 . 1 . 1 20 20 LEU HD12 H 1 0.3320 0.01 . 2 . . . . . 20 LEU HD11 . 27925 1 216 . 1 . 1 20 20 LEU HD13 H 1 0.3320 0.01 . 2 . . . . . 20 LEU HD11 . 27925 1 217 . 1 . 1 20 20 LEU HD21 H 1 -0.0010 0.01 . 1 . . . . . 20 LEU HD21 . 27925 1 218 . 1 . 1 20 20 LEU HD22 H 1 -0.0010 0.01 . 1 . . . . . 20 LEU HD21 . 27925 1 219 . 1 . 1 20 20 LEU HD23 H 1 -0.0010 0.01 . 1 . . . . . 20 LEU HD21 . 27925 1 220 . 1 . 1 20 20 LEU C C 13 178.3280 0.15 . 1 . . . . . 20 LEU C . 27925 1 221 . 1 . 1 20 20 LEU CA C 13 56.6000 0.15 . 1 . . . . . 20 LEU CA . 27925 1 222 . 1 . 1 20 20 LEU CB C 13 42.2500 0.15 . 1 . . . . . 20 LEU CB . 27925 1 223 . 1 . 1 20 20 LEU CG C 13 28.1600 0.15 . 1 . . . . . 20 LEU CG . 27925 1 224 . 1 . 1 20 20 LEU CD1 C 13 24.1500 0.15 . 2 . . . . . 20 LEU CD1 . 27925 1 225 . 1 . 1 20 20 LEU CD2 C 13 24.3100 0.15 . 2 . . . . . 20 LEU CD2 . 27925 1 226 . 1 . 1 20 20 LEU N N 15 121.3900 0.1 . 1 . . . . . 20 LEU N . 27925 1 227 . 1 . 1 21 21 SER H H 1 8.9610 0.01 . 1 . . . . . 21 SER H . 27925 1 228 . 1 . 1 21 21 SER HA H 1 5.0140 0.01 . 1 . . . . . 21 SER HA . 27925 1 229 . 1 . 1 21 21 SER HB2 H 1 4.3390 0.01 . 2 . . . . . 21 SER HB2 . 27925 1 230 . 1 . 1 21 21 SER HB3 H 1 4.3020 0.01 . 2 . . . . . 21 SER HB3 . 27925 1 231 . 1 . 1 21 21 SER C C 13 172.1530 0.15 . 1 . . . . . 21 SER C . 27925 1 232 . 1 . 1 21 21 SER CA C 13 57.1400 0.15 . 1 . . . . . 21 SER CA . 27925 1 233 . 1 . 1 21 21 SER CB C 13 63.9000 0.15 . 1 . . . . . 21 SER CB . 27925 1 234 . 1 . 1 21 21 SER N N 15 119.1400 0.1 . 1 . . . . . 21 SER N . 27925 1 235 . 1 . 1 22 22 THR H H 1 7.9500 0.01 . 1 . . . . . 22 THR H . 27925 1 236 . 1 . 1 22 22 THR HA H 1 4.5950 0.01 . 1 . . . . . 22 THR HA . 27925 1 237 . 1 . 1 22 22 THR HB H 1 4.1590 0.01 . 1 . . . . . 22 THR HB . 27925 1 238 . 1 . 1 22 22 THR HG21 H 1 1.4530 0.01 . 1 . . . . . 22 THR HG21 . 27925 1 239 . 1 . 1 22 22 THR HG22 H 1 1.4530 0.01 . 1 . . . . . 22 THR HG21 . 27925 1 240 . 1 . 1 22 22 THR HG23 H 1 1.4530 0.01 . 1 . . . . . 22 THR HG21 . 27925 1 241 . 1 . 1 22 22 THR C C 13 174.5970 0.15 . 1 . . . . . 22 THR C . 27925 1 242 . 1 . 1 22 22 THR CA C 13 66.4000 0.15 . 1 . . . . . 22 THR CA . 27925 1 243 . 1 . 1 22 22 THR CB C 13 69.4000 0.15 . 1 . . . . . 22 THR CB . 27925 1 244 . 1 . 1 22 22 THR CG2 C 13 22.9000 0.15 . 1 . . . . . 22 THR CG2 . 27925 1 245 . 1 . 1 22 22 THR N N 15 110.8500 0.1 . 1 . . . . . 22 THR N . 27925 1 246 . 1 . 1 23 23 ASN H H 1 8.3740 0.01 . 1 . . . . . 23 ASN H . 27925 1 247 . 1 . 1 23 23 ASN HA H 1 4.8930 0.01 . 1 . . . . . 23 ASN HA . 27925 1 248 . 1 . 1 23 23 ASN HB2 H 1 1.9430 0.01 . 2 . . . . . 23 ASN HB2 . 27925 1 249 . 1 . 1 23 23 ASN HB3 H 1 2.5050 0.01 . 2 . . . . . 23 ASN HB3 . 27925 1 250 . 1 . 1 23 23 ASN HD21 H 1 6.4210 0.01 . 2 . . . . . 23 ASN HD21 . 27925 1 251 . 1 . 1 23 23 ASN HD22 H 1 7.9770 0.01 . 2 . . . . . 23 ASN HD22 . 27925 1 252 . 1 . 1 23 23 ASN C C 13 171.7620 0.15 . 1 . . . . . 23 ASN C . 27925 1 253 . 1 . 1 23 23 ASN CA C 13 53.4000 0.15 . 1 . . . . . 23 ASN CA . 27925 1 254 . 1 . 1 23 23 ASN CB C 13 42.0000 0.15 . 1 . . . . . 23 ASN CB . 27925 1 255 . 1 . 1 23 23 ASN N N 15 112.9500 0.1 . 1 . . . . . 23 ASN N . 27925 1 256 . 1 . 1 23 23 ASN ND2 N 15 110.2030 0.1 . 1 . . . . . 23 ASN ND2 . 27925 1 257 . 1 . 1 24 24 ASP H H 1 7.5050 0.01 . 1 . . . . . 24 ASP H . 27925 1 258 . 1 . 1 24 24 ASP HA H 1 4.7790 0.01 . 1 . . . . . 24 ASP HA . 27925 1 259 . 1 . 1 24 24 ASP HB2 H 1 2.2080 0.01 . 2 . . . . . 24 ASP HB2 . 27925 1 260 . 1 . 1 24 24 ASP HB3 H 1 2.5020 0.01 . 2 . . . . . 24 ASP HB3 . 27925 1 261 . 1 . 1 24 24 ASP C C 13 173.1950 0.15 . 1 . . . . . 24 ASP C . 27925 1 262 . 1 . 1 24 24 ASP CA C 13 52.8300 0.15 . 1 . . . . . 24 ASP CA . 27925 1 263 . 1 . 1 24 24 ASP CB C 13 44.3400 0.15 . 1 . . . . . 24 ASP CB . 27925 1 264 . 1 . 1 24 24 ASP N N 15 116.7100 0.1 . 1 . . . . . 24 ASP N . 27925 1 265 . 1 . 1 25 25 PHE H H 1 8.2560 0.01 . 1 . . . . . 25 PHE H . 27925 1 266 . 1 . 1 25 25 PHE HA H 1 5.5010 0.01 . 1 . . . . . 25 PHE HA . 27925 1 267 . 1 . 1 25 25 PHE HB2 H 1 3.2590 0.01 . 2 . . . . . 25 PHE HB2 . 27925 1 268 . 1 . 1 25 25 PHE HB3 H 1 3.4630 0.01 . 2 . . . . . 25 PHE HB3 . 27925 1 269 . 1 . 1 25 25 PHE HD1 H 1 7.4470 0.01 . 3 . . . . . 25 PHE HD1 . 27925 1 270 . 1 . 1 25 25 PHE HD2 H 1 7.4470 0.01 . 3 . . . . . 25 PHE HD2 . 27925 1 271 . 1 . 1 25 25 PHE HE1 H 1 7.1380 0.01 . 3 . . . . . 25 PHE HE1 . 27925 1 272 . 1 . 1 25 25 PHE HE2 H 1 7.1380 0.01 . 3 . . . . . 25 PHE HE2 . 27925 1 273 . 1 . 1 25 25 PHE HZ H 1 6.9960 0.01 . 1 . . . . . 25 PHE HZ . 27925 1 274 . 1 . 1 25 25 PHE C C 13 173.3820 0.15 . 1 . . . . . 25 PHE C . 27925 1 275 . 1 . 1 25 25 PHE CA C 13 56.8300 0.15 . 1 . . . . . 25 PHE CA . 27925 1 276 . 1 . 1 25 25 PHE CB C 13 42.1400 0.15 . 1 . . . . . 25 PHE CB . 27925 1 277 . 1 . 1 25 25 PHE CD1 C 13 134.0000 0.15 . 3 . . . . . 25 PHE CD1 . 27925 1 278 . 1 . 1 25 25 PHE CD2 C 13 134.0000 0.15 . 3 . . . . . 25 PHE CD2 . 27925 1 279 . 1 . 1 25 25 PHE CE1 C 13 129.7700 0.15 . 3 . . . . . 25 PHE CE1 . 27925 1 280 . 1 . 1 25 25 PHE CE2 C 13 129.7700 0.15 . 3 . . . . . 25 PHE CE2 . 27925 1 281 . 1 . 1 25 25 PHE CZ C 13 130.7800 0.15 . 1 . . . . . 25 PHE CZ . 27925 1 282 . 1 . 1 25 25 PHE N N 15 108.3800 0.1 . 1 . . . . . 25 PHE N . 27925 1 283 . 1 . 1 26 26 LYS H H 1 8.8320 0.01 . 1 . . . . . 26 LYS H . 27925 1 284 . 1 . 1 26 26 LYS HA H 1 4.1370 0.01 . 1 . . . . . 26 LYS HA . 27925 1 285 . 1 . 1 26 26 LYS HB2 H 1 1.7360 0.01 . 2 . . . . . 26 LYS HB2 . 27925 1 286 . 1 . 1 26 26 LYS HB3 H 1 1.7360 0.01 . 2 . . . . . 26 LYS HB3 . 27925 1 287 . 1 . 1 26 26 LYS HG2 H 1 1.3080 0.01 . 2 . . . . . 26 LYS HG2 . 27925 1 288 . 1 . 1 26 26 LYS HG3 H 1 1.3080 0.01 . 2 . . . . . 26 LYS HG3 . 27925 1 289 . 1 . 1 26 26 LYS HD2 H 1 1.6580 0.01 . 2 . . . . . 26 LYS HD2 . 27925 1 290 . 1 . 1 26 26 LYS HD3 H 1 1.6580 0.01 . 2 . . . . . 26 LYS HD3 . 27925 1 291 . 1 . 1 26 26 LYS HE2 H 1 3.0610 0.01 . 2 . . . . . 26 LYS HE2 . 27925 1 292 . 1 . 1 26 26 LYS HE3 H 1 3.0610 0.01 . 2 . . . . . 26 LYS HE3 . 27925 1 293 . 1 . 1 26 26 LYS C C 13 175.1280 0.15 . 1 . . . . . 26 LYS C . 27925 1 294 . 1 . 1 26 26 LYS CA C 13 58.4110 0.15 . 1 . . . . . 26 LYS CA . 27925 1 295 . 1 . 1 26 26 LYS CB C 13 33.2100 0.15 . 1 . . . . . 26 LYS CB . 27925 1 296 . 1 . 1 26 26 LYS CG C 13 21.7650 0.15 . 1 . . . . . 26 LYS CG . 27925 1 297 . 1 . 1 26 26 LYS CD C 13 27.8700 0.15 . 1 . . . . . 26 LYS CD . 27925 1 298 . 1 . 1 26 26 LYS CE C 13 43.0000 0.15 . 1 . . . . . 26 LYS CE . 27925 1 299 . 1 . 1 26 26 LYS N N 15 121.3000 0.1 . 1 . . . . . 26 LYS N . 27925 1 300 . 1 . 1 27 27 SER H H 1 8.2090 0.01 . 1 . . . . . 27 SER H . 27925 1 301 . 1 . 1 27 27 SER HA H 1 4.0590 0.01 . 1 . . . . . 27 SER HA . 27925 1 302 . 1 . 1 27 27 SER HB2 H 1 2.9860 0.01 . 2 . . . . . 27 SER HB2 . 27925 1 303 . 1 . 1 27 27 SER HB3 H 1 3.4560 0.01 . 2 . . . . . 27 SER HB3 . 27925 1 304 . 1 . 1 27 27 SER C C 13 177.4330 0.15 . 1 . . . . . 27 SER C . 27925 1 305 . 1 . 1 27 27 SER CA C 13 62.0900 0.15 . 1 . . . . . 27 SER CA . 27925 1 306 . 1 . 1 27 27 SER CB C 13 64.2500 0.15 . 1 . . . . . 27 SER CB . 27925 1 307 . 1 . 1 27 27 SER N N 15 117.7900 0.1 . 1 . . . . . 27 SER N . 27925 1 308 . 1 . 1 28 28 ILE H H 1 8.5980 0.01 . 1 . . . . . 28 ILE H . 27925 1 309 . 1 . 1 28 28 ILE HA H 1 4.4700 0.01 . 1 . . . . . 28 ILE HA . 27925 1 310 . 1 . 1 28 28 ILE HB H 1 1.8740 0.01 . 1 . . . . . 28 ILE HB . 27925 1 311 . 1 . 1 28 28 ILE HG12 H 1 1.5090 0.01 . 2 . . . . . 28 ILE HG12 . 27925 1 312 . 1 . 1 28 28 ILE HG13 H 1 1.2210 0.01 . 2 . . . . . 28 ILE HG13 . 27925 1 313 . 1 . 1 28 28 ILE HG21 H 1 0.9440 0.01 . 1 . . . . . 28 ILE HG21 . 27925 1 314 . 1 . 1 28 28 ILE HG22 H 1 0.9440 0.01 . 1 . . . . . 28 ILE HG21 . 27925 1 315 . 1 . 1 28 28 ILE HG23 H 1 0.9440 0.01 . 1 . . . . . 28 ILE HG21 . 27925 1 316 . 1 . 1 28 28 ILE HD11 H 1 0.8880 0.01 . 1 . . . . . 28 ILE HD11 . 27925 1 317 . 1 . 1 28 28 ILE HD12 H 1 0.8880 0.01 . 1 . . . . . 28 ILE HD11 . 27925 1 318 . 1 . 1 28 28 ILE HD13 H 1 0.8880 0.01 . 1 . . . . . 28 ILE HD11 . 27925 1 319 . 1 . 1 28 28 ILE C C 13 177.0200 0.15 . 1 . . . . . 28 ILE C . 27925 1 320 . 1 . 1 28 28 ILE CA C 13 63.3400 0.15 . 1 . . . . . 28 ILE CA . 27925 1 321 . 1 . 1 28 28 ILE CB C 13 38.5000 0.15 . 1 . . . . . 28 ILE CB . 27925 1 322 . 1 . 1 28 28 ILE CG1 C 13 27.3500 0.15 . 1 . . . . . 28 ILE CG1 . 27925 1 323 . 1 . 1 28 28 ILE CG2 C 13 17.6200 0.15 . 1 . . . . . 28 ILE CG2 . 27925 1 324 . 1 . 1 28 28 ILE CD1 C 13 14.1500 0.15 . 1 . . . . . 28 ILE CD1 . 27925 1 325 . 1 . 1 28 28 ILE N N 15 114.6800 0.1 . 1 . . . . . 28 ILE N . 27925 1 326 . 1 . 1 29 29 LEU H H 1 7.4150 0.01 . 1 . . . . . 29 LEU H . 27925 1 327 . 1 . 1 29 29 LEU HA H 1 4.0550 0.01 . 1 . . . . . 29 LEU HA . 27925 1 328 . 1 . 1 29 29 LEU HB2 H 1 1.5970 0.01 . 2 . . . . . 29 LEU HB2 . 27925 1 329 . 1 . 1 29 29 LEU HB3 H 1 1.5970 0.01 . 2 . . . . . 29 LEU HB3 . 27925 1 330 . 1 . 1 29 29 LEU HG H 1 1.3950 0.01 . 1 . . . . . 29 LEU HG . 27925 1 331 . 1 . 1 29 29 LEU HD11 H 1 0.8710 0.01 . 2 . . . . . 29 LEU HD11 . 27925 1 332 . 1 . 1 29 29 LEU HD12 H 1 0.8710 0.01 . 2 . . . . . 29 LEU HD11 . 27925 1 333 . 1 . 1 29 29 LEU HD13 H 1 0.8710 0.01 . 2 . . . . . 29 LEU HD11 . 27925 1 334 . 1 . 1 29 29 LEU HD21 H 1 0.8710 0.01 . 2 . . . . . 29 LEU HD21 . 27925 1 335 . 1 . 1 29 29 LEU HD22 H 1 0.8710 0.01 . 2 . . . . . 29 LEU HD21 . 27925 1 336 . 1 . 1 29 29 LEU HD23 H 1 0.8710 0.01 . 2 . . . . . 29 LEU HD21 . 27925 1 337 . 1 . 1 29 29 LEU C C 13 177.2320 0.15 . 1 . . . . . 29 LEU C . 27925 1 338 . 1 . 1 29 29 LEU CA C 13 56.8900 0.15 . 1 . . . . . 29 LEU CA . 27925 1 339 . 1 . 1 29 29 LEU CB C 13 42.2600 0.15 . 1 . . . . . 29 LEU CB . 27925 1 340 . 1 . 1 29 29 LEU CG C 13 27.0800 0.15 . 1 . . . . . 29 LEU CG . 27925 1 341 . 1 . 1 29 29 LEU CD1 C 13 25.5000 0.15 . 2 . . . . . 29 LEU CD1 . 27925 1 342 . 1 . 1 29 29 LEU CD2 C 13 25.5000 0.15 . 2 . . . . . 29 LEU CD2 . 27925 1 343 . 1 . 1 29 29 LEU N N 15 122.0700 0.1 . 1 . . . . . 29 LEU N . 27925 1 344 . 1 . 1 30 30 LEU H H 1 7.9820 0.01 . 1 . . . . . 30 LEU H . 27925 1 345 . 1 . 1 30 30 LEU HA H 1 4.3740 0.01 . 1 . . . . . 30 LEU HA . 27925 1 346 . 1 . 1 30 30 LEU HB2 H 1 1.4170 0.01 . 2 . . . . . 30 LEU HB2 . 27925 1 347 . 1 . 1 30 30 LEU HB3 H 1 2.1960 0.01 . 2 . . . . . 30 LEU HB3 . 27925 1 348 . 1 . 1 30 30 LEU HG H 1 1.8850 0.01 . 1 . . . . . 30 LEU HG . 27925 1 349 . 1 . 1 30 30 LEU HD11 H 1 0.7110 0.01 . 2 . . . . . 30 LEU HD11 . 27925 1 350 . 1 . 1 30 30 LEU HD12 H 1 0.7110 0.01 . 2 . . . . . 30 LEU HD11 . 27925 1 351 . 1 . 1 30 30 LEU HD13 H 1 0.7110 0.01 . 2 . . . . . 30 LEU HD11 . 27925 1 352 . 1 . 1 30 30 LEU HD21 H 1 0.7110 0.01 . 2 . . . . . 30 LEU HD21 . 27925 1 353 . 1 . 1 30 30 LEU HD22 H 1 0.7110 0.01 . 2 . . . . . 30 LEU HD21 . 27925 1 354 . 1 . 1 30 30 LEU HD23 H 1 0.7110 0.01 . 2 . . . . . 30 LEU HD21 . 27925 1 355 . 1 . 1 30 30 LEU C C 13 177.3380 0.15 . 1 . . . . . 30 LEU C . 27925 1 356 . 1 . 1 30 30 LEU CA C 13 55.0100 0.15 . 1 . . . . . 30 LEU CA . 27925 1 357 . 1 . 1 30 30 LEU CB C 13 40.1500 0.15 . 1 . . . . . 30 LEU CB . 27925 1 358 . 1 . 1 30 30 LEU CG C 13 27.5900 0.15 . 1 . . . . . 30 LEU CG . 27925 1 359 . 1 . 1 30 30 LEU CD1 C 13 22.3300 0.15 . 2 . . . . . 30 LEU CD1 . 27925 1 360 . 1 . 1 30 30 LEU CD2 C 13 22.3300 0.15 . 2 . . . . . 30 LEU CD2 . 27925 1 361 . 1 . 1 30 30 LEU N N 15 112.4000 0.1 . 1 . . . . . 30 LEU N . 27925 1 362 . 1 . 1 31 31 GLY H H 1 7.7340 0.01 . 1 . . . . . 31 GLY H . 27925 1 363 . 1 . 1 31 31 GLY HA2 H 1 3.5560 0.01 . 2 . . . . . 31 GLY HA2 . 27925 1 364 . 1 . 1 31 31 GLY HA3 H 1 3.9050 0.01 . 2 . . . . . 31 GLY HA3 . 27925 1 365 . 1 . 1 31 31 GLY C C 13 171.4780 0.15 . 1 . . . . . 31 GLY C . 27925 1 366 . 1 . 1 31 31 GLY CA C 13 47.5100 0.15 . 1 . . . . . 31 GLY CA . 27925 1 367 . 1 . 1 31 31 GLY N N 15 107.1400 0.1 . 1 . . . . . 31 GLY N . 27925 1 368 . 1 . 1 32 32 SER H H 1 9.4160 0.01 . 1 . . . . . 32 SER H . 27925 1 369 . 1 . 1 32 32 SER HA H 1 4.8220 0.01 . 1 . . . . . 32 SER HA . 27925 1 370 . 1 . 1 32 32 SER HB2 H 1 3.3750 0.01 . 2 . . . . . 32 SER HB2 . 27925 1 371 . 1 . 1 32 32 SER HB3 H 1 3.6850 0.01 . 2 . . . . . 32 SER HB3 . 27925 1 372 . 1 . 1 32 32 SER C C 13 173.9040 0.15 . 1 . . . . . 32 SER C . 27925 1 373 . 1 . 1 32 32 SER CA C 13 55.4300 0.15 . 1 . . . . . 32 SER CA . 27925 1 374 . 1 . 1 32 32 SER CB C 13 64.2000 0.15 . 1 . . . . . 32 SER CB . 27925 1 375 . 1 . 1 32 32 SER N N 15 116.4900 0.1 . 1 . . . . . 32 SER N . 27925 1 376 . 1 . 1 33 33 THR H H 1 9.3300 0.01 . 1 . . . . . 33 THR H . 27925 1 377 . 1 . 1 33 33 THR HA H 1 4.2900 0.01 . 1 . . . . . 33 THR HA . 27925 1 378 . 1 . 1 33 33 THR HB H 1 4.1900 0.01 . 1 . . . . . 33 THR HB . 27925 1 379 . 1 . 1 33 33 THR HG21 H 1 1.3700 0.01 . 1 . . . . . 33 THR HG21 . 27925 1 380 . 1 . 1 33 33 THR HG22 H 1 1.3700 0.01 . 1 . . . . . 33 THR HG21 . 27925 1 381 . 1 . 1 33 33 THR HG23 H 1 1.3700 0.01 . 1 . . . . . 33 THR HG21 . 27925 1 382 . 1 . 1 33 33 THR C C 13 172.2460 0.15 . 1 . . . . . 33 THR C . 27925 1 383 . 1 . 1 33 33 THR CA C 13 60.2000 0.15 . 1 . . . . . 33 THR CA . 27925 1 384 . 1 . 1 33 33 THR CB C 13 68.6000 0.15 . 1 . . . . . 33 THR CB . 27925 1 385 . 1 . 1 33 33 THR CG2 C 13 21.7000 0.15 . 1 . . . . . 33 THR CG2 . 27925 1 386 . 1 . 1 33 33 THR N N 15 128.1700 0.1 . 1 . . . . . 33 THR N . 27925 1 387 . 1 . 1 34 34 PRO HA H 1 4.1110 0.01 . 1 . . . . . 34 PRO HA . 27925 1 388 . 1 . 1 34 34 PRO HB2 H 1 2.3000 0.01 . 2 . . . . . 34 PRO HB2 . 27925 1 389 . 1 . 1 34 34 PRO HB3 H 1 1.5290 0.01 . 2 . . . . . 34 PRO HB3 . 27925 1 390 . 1 . 1 34 34 PRO HG2 H 1 2.0840 0.01 . 2 . . . . . 34 PRO HG2 . 27925 1 391 . 1 . 1 34 34 PRO HG3 H 1 1.9420 0.01 . 2 . . . . . 34 PRO HG3 . 27925 1 392 . 1 . 1 34 34 PRO HD2 H 1 3.8040 0.01 . 2 . . . . . 34 PRO HD2 . 27925 1 393 . 1 . 1 34 34 PRO HD3 H 1 3.7280 0.01 . 2 . . . . . 34 PRO HD3 . 27925 1 394 . 1 . 1 34 34 PRO C C 13 177.8990 0.15 . 1 . . . . . 34 PRO C . 27925 1 395 . 1 . 1 34 34 PRO CA C 13 66.2500 0.15 . 1 . . . . . 34 PRO CA . 27925 1 396 . 1 . 1 34 34 PRO CB C 13 31.8000 0.15 . 1 . . . . . 34 PRO CB . 27925 1 397 . 1 . 1 34 34 PRO CG C 13 28.0000 0.15 . 1 . . . . . 34 PRO CG . 27925 1 398 . 1 . 1 34 34 PRO CD C 13 51.0100 0.15 . 1 . . . . . 34 PRO CD . 27925 1 399 . 1 . 1 35 35 LEU H H 1 6.9890 0.01 . 1 . . . . . 35 LEU H . 27925 1 400 . 1 . 1 35 35 LEU HA H 1 3.9530 0.01 . 1 . . . . . 35 LEU HA . 27925 1 401 . 1 . 1 35 35 LEU HB2 H 1 1.4260 0.01 . 2 . . . . . 35 LEU HB2 . 27925 1 402 . 1 . 1 35 35 LEU HB3 H 1 2.1630 0.01 . 2 . . . . . 35 LEU HB3 . 27925 1 403 . 1 . 1 35 35 LEU HG H 1 1.4660 0.01 . 1 . . . . . 35 LEU HG . 27925 1 404 . 1 . 1 35 35 LEU HD11 H 1 0.5720 0.01 . 2 . . . . . 35 LEU HD11 . 27925 1 405 . 1 . 1 35 35 LEU HD12 H 1 0.5720 0.01 . 2 . . . . . 35 LEU HD11 . 27925 1 406 . 1 . 1 35 35 LEU HD13 H 1 0.5720 0.01 . 2 . . . . . 35 LEU HD11 . 27925 1 407 . 1 . 1 35 35 LEU HD21 H 1 -0.2700 0.01 . 2 . . . . . 35 LEU HD21 . 27925 1 408 . 1 . 1 35 35 LEU HD22 H 1 -0.2700 0.01 . 2 . . . . . 35 LEU HD21 . 27925 1 409 . 1 . 1 35 35 LEU HD23 H 1 -0.2700 0.01 . 2 . . . . . 35 LEU HD21 . 27925 1 410 . 1 . 1 35 35 LEU C C 13 178.3450 0.15 . 1 . . . . . 35 LEU C . 27925 1 411 . 1 . 1 35 35 LEU CA C 13 57.1500 0.15 . 1 . . . . . 35 LEU CA . 27925 1 412 . 1 . 1 35 35 LEU CB C 13 39.5800 0.15 . 1 . . . . . 35 LEU CB . 27925 1 413 . 1 . 1 35 35 LEU CG C 13 25.8800 0.15 . 1 . . . . . 35 LEU CG . 27925 1 414 . 1 . 1 35 35 LEU CD1 C 13 26.3800 0.15 . 2 . . . . . 35 LEU CD1 . 27925 1 415 . 1 . 1 35 35 LEU CD2 C 13 20.6200 0.15 . 2 . . . . . 35 LEU CD2 . 27925 1 416 . 1 . 1 35 35 LEU N N 15 114.5700 0.1 . 1 . . . . . 35 LEU N . 27925 1 417 . 1 . 1 36 36 ASP H H 1 8.1320 0.01 . 1 . . . . . 36 ASP H . 27925 1 418 . 1 . 1 36 36 ASP HA H 1 4.3140 0.01 . 1 . . . . . 36 ASP HA . 27925 1 419 . 1 . 1 36 36 ASP HB2 H 1 2.4640 0.01 . 2 . . . . . 36 ASP HB2 . 27925 1 420 . 1 . 1 36 36 ASP HB3 H 1 3.0200 0.01 . 2 . . . . . 36 ASP HB3 . 27925 1 421 . 1 . 1 36 36 ASP C C 13 178.2460 0.15 . 1 . . . . . 36 ASP C . 27925 1 422 . 1 . 1 36 36 ASP CA C 13 57.6900 0.15 . 1 . . . . . 36 ASP CA . 27925 1 423 . 1 . 1 36 36 ASP CB C 13 40.4700 0.15 . 1 . . . . . 36 ASP CB . 27925 1 424 . 1 . 1 36 36 ASP N N 15 123.4700 0.1 . 1 . . . . . 36 ASP N . 27925 1 425 . 1 . 1 37 37 ILE H H 1 8.0470 0.01 . 1 . . . . . 37 ILE H . 27925 1 426 . 1 . 1 37 37 ILE HA H 1 4.3210 0.01 . 1 . . . . . 37 ILE HA . 27925 1 427 . 1 . 1 37 37 ILE HB H 1 2.1000 0.01 . 1 . . . . . 37 ILE HB . 27925 1 428 . 1 . 1 37 37 ILE HG12 H 1 1.1790 0.01 . 2 . . . . . 37 ILE HG12 . 27925 1 429 . 1 . 1 37 37 ILE HG13 H 1 1.2270 0.01 . 2 . . . . . 37 ILE HG13 . 27925 1 430 . 1 . 1 37 37 ILE HG21 H 1 0.8730 0.01 . 1 . . . . . 37 ILE HG21 . 27925 1 431 . 1 . 1 37 37 ILE HG22 H 1 0.8730 0.01 . 1 . . . . . 37 ILE HG21 . 27925 1 432 . 1 . 1 37 37 ILE HG23 H 1 0.8730 0.01 . 1 . . . . . 37 ILE HG21 . 27925 1 433 . 1 . 1 37 37 ILE HD11 H 1 0.7800 0.01 . 1 . . . . . 37 ILE HD11 . 27925 1 434 . 1 . 1 37 37 ILE HD12 H 1 0.7800 0.01 . 1 . . . . . 37 ILE HD11 . 27925 1 435 . 1 . 1 37 37 ILE HD13 H 1 0.7800 0.01 . 1 . . . . . 37 ILE HD11 . 27925 1 436 . 1 . 1 37 37 ILE C C 13 175.0620 0.15 . 1 . . . . . 37 ILE C . 27925 1 437 . 1 . 1 37 37 ILE CA C 13 60.9500 0.15 . 1 . . . . . 37 ILE CA . 27925 1 438 . 1 . 1 37 37 ILE CB C 13 37.9900 0.15 . 1 . . . . . 37 ILE CB . 27925 1 439 . 1 . 1 37 37 ILE CG1 C 13 25.8800 0.15 . 1 . . . . . 37 ILE CG1 . 27925 1 440 . 1 . 1 37 37 ILE CG2 C 13 17.0500 0.15 . 1 . . . . . 37 ILE CG2 . 27925 1 441 . 1 . 1 37 37 ILE CD1 C 13 13.9400 0.15 . 1 . . . . . 37 ILE CD1 . 27925 1 442 . 1 . 1 37 37 ILE N N 15 111.2400 0.1 . 1 . . . . . 37 ILE N . 27925 1 443 . 1 . 1 38 38 ALA H H 1 7.1660 0.01 . 1 . . . . . 38 ALA H . 27925 1 444 . 1 . 1 38 38 ALA HA H 1 4.4570 0.01 . 1 . . . . . 38 ALA HA . 27925 1 445 . 1 . 1 38 38 ALA HB1 H 1 1.5930 0.01 . 1 . . . . . 38 ALA HB1 . 27925 1 446 . 1 . 1 38 38 ALA HB2 H 1 1.5930 0.01 . 1 . . . . . 38 ALA HB1 . 27925 1 447 . 1 . 1 38 38 ALA HB3 H 1 1.5930 0.01 . 1 . . . . . 38 ALA HB1 . 27925 1 448 . 1 . 1 38 38 ALA C C 13 173.5860 0.15 . 1 . . . . . 38 ALA C . 27925 1 449 . 1 . 1 38 38 ALA CA C 13 50.8000 0.15 . 1 . . . . . 38 ALA CA . 27925 1 450 . 1 . 1 38 38 ALA CB C 13 16.8000 0.15 . 1 . . . . . 38 ALA CB . 27925 1 451 . 1 . 1 38 38 ALA N N 15 127.3800 0.1 . 1 . . . . . 38 ALA N . 27925 1 452 . 1 . 1 39 39 PRO HA H 1 4.3550 0.01 . 1 . . . . . 39 PRO HA . 27925 1 453 . 1 . 1 39 39 PRO HB2 H 1 2.2580 0.01 . 2 . . . . . 39 PRO HB2 . 27925 1 454 . 1 . 1 39 39 PRO HB3 H 1 1.9410 0.01 . 2 . . . . . 39 PRO HB3 . 27925 1 455 . 1 . 1 39 39 PRO HG2 H 1 2.0760 0.01 . 2 . . . . . 39 PRO HG2 . 27925 1 456 . 1 . 1 39 39 PRO HG3 H 1 1.9920 0.01 . 2 . . . . . 39 PRO HG3 . 27925 1 457 . 1 . 1 39 39 PRO HD2 H 1 3.6450 0.01 . 2 . . . . . 39 PRO HD2 . 27925 1 458 . 1 . 1 39 39 PRO HD3 H 1 3.5400 0.01 . 2 . . . . . 39 PRO HD3 . 27925 1 459 . 1 . 1 39 39 PRO C C 13 174.3000 0.15 . 1 . . . . . 39 PRO C . 27925 1 460 . 1 . 1 39 39 PRO CA C 13 62.1600 0.15 . 1 . . . . . 39 PRO CA . 27925 1 461 . 1 . 1 39 39 PRO CB C 13 32.6600 0.15 . 1 . . . . . 39 PRO CB . 27925 1 462 . 1 . 1 39 39 PRO CG C 13 30.5100 0.15 . 1 . . . . . 39 PRO CG . 27925 1 463 . 1 . 1 39 39 PRO CD C 13 50.4400 0.15 . 1 . . . . . 39 PRO CD . 27925 1 464 . 1 . 1 40 40 ASP H H 1 8.1960 0.01 . 1 . . . . . 40 ASP H . 27925 1 465 . 1 . 1 40 40 ASP HA H 1 3.7690 0.01 . 1 . . . . . 40 ASP HA . 27925 1 466 . 1 . 1 40 40 ASP HB2 H 1 2.4710 0.01 . 2 . . . . . 40 ASP HB2 . 27925 1 467 . 1 . 1 40 40 ASP HB3 H 1 2.5700 0.01 . 2 . . . . . 40 ASP HB3 . 27925 1 468 . 1 . 1 40 40 ASP C C 13 175.8930 0.15 . 1 . . . . . 40 ASP C . 27925 1 469 . 1 . 1 40 40 ASP CA C 13 56.3300 0.15 . 1 . . . . . 40 ASP CA . 27925 1 470 . 1 . 1 40 40 ASP CB C 13 42.5500 0.15 . 1 . . . . . 40 ASP CB . 27925 1 471 . 1 . 1 40 40 ASP N N 15 117.1000 0.1 . 1 . . . . . 40 ASP N . 27925 1 472 . 1 . 1 41 41 GLY H H 1 8.4980 0.01 . 1 . . . . . 41 GLY H . 27925 1 473 . 1 . 1 41 41 GLY HA2 H 1 3.0530 0.01 . 2 . . . . . 41 GLY HA2 . 27925 1 474 . 1 . 1 41 41 GLY HA3 H 1 4.0980 0.01 . 2 . . . . . 41 GLY HA3 . 27925 1 475 . 1 . 1 41 41 GLY C C 13 171.8140 0.15 . 1 . . . . . 41 GLY C . 27925 1 476 . 1 . 1 41 41 GLY CA C 13 45.0400 0.15 . 1 . . . . . 41 GLY CA . 27925 1 477 . 1 . 1 41 41 GLY N N 15 115.0900 0.1 . 1 . . . . . 41 GLY N . 27925 1 478 . 1 . 1 42 42 ALA H H 1 7.6510 0.01 . 1 . . . . . 42 ALA H . 27925 1 479 . 1 . 1 42 42 ALA HA H 1 4.0580 0.01 . 1 . . . . . 42 ALA HA . 27925 1 480 . 1 . 1 42 42 ALA HB1 H 1 1.1390 0.01 . 1 . . . . . 42 ALA HB1 . 27925 1 481 . 1 . 1 42 42 ALA HB2 H 1 1.1390 0.01 . 1 . . . . . 42 ALA HB1 . 27925 1 482 . 1 . 1 42 42 ALA HB3 H 1 1.1390 0.01 . 1 . . . . . 42 ALA HB1 . 27925 1 483 . 1 . 1 42 42 ALA C C 13 174.3990 0.15 . 1 . . . . . 42 ALA C . 27925 1 484 . 1 . 1 42 42 ALA CA C 13 52.7500 0.15 . 1 . . . . . 42 ALA CA . 27925 1 485 . 1 . 1 42 42 ALA CB C 13 19.2000 0.15 . 1 . . . . . 42 ALA CB . 27925 1 486 . 1 . 1 42 42 ALA N N 15 122.3600 0.1 . 1 . . . . . 42 ALA N . 27925 1 487 . 1 . 1 43 43 VAL H H 1 8.1710 0.01 . 1 . . . . . 43 VAL H . 27925 1 488 . 1 . 1 43 43 VAL HA H 1 4.9120 0.01 . 1 . . . . . 43 VAL HA . 27925 1 489 . 1 . 1 43 43 VAL HB H 1 2.0500 0.01 . 1 . . . . . 43 VAL HB . 27925 1 490 . 1 . 1 43 43 VAL HG11 H 1 0.5620 0.01 . 2 . . . . . 43 VAL HG11 . 27925 1 491 . 1 . 1 43 43 VAL HG12 H 1 0.5620 0.01 . 2 . . . . . 43 VAL HG11 . 27925 1 492 . 1 . 1 43 43 VAL HG13 H 1 0.5620 0.01 . 2 . . . . . 43 VAL HG11 . 27925 1 493 . 1 . 1 43 43 VAL HG21 H 1 0.6010 0.01 . 2 . . . . . 43 VAL HG21 . 27925 1 494 . 1 . 1 43 43 VAL HG22 H 1 0.6010 0.01 . 2 . . . . . 43 VAL HG21 . 27925 1 495 . 1 . 1 43 43 VAL HG23 H 1 0.6010 0.01 . 2 . . . . . 43 VAL HG21 . 27925 1 496 . 1 . 1 43 43 VAL C C 13 173.8380 0.15 . 1 . . . . . 43 VAL C . 27925 1 497 . 1 . 1 43 43 VAL CA C 13 60.3900 0.15 . 1 . . . . . 43 VAL CA . 27925 1 498 . 1 . 1 43 43 VAL CB C 13 33.0000 0.15 . 1 . . . . . 43 VAL CB . 27925 1 499 . 1 . 1 43 43 VAL CG1 C 13 18.0000 0.15 . 2 . . . . . 43 VAL CG1 . 27925 1 500 . 1 . 1 43 43 VAL CG2 C 13 20.7900 0.15 . 2 . . . . . 43 VAL CG2 . 27925 1 501 . 1 . 1 43 43 VAL N N 15 121.6600 0.1 . 1 . . . . . 43 VAL N . 27925 1 502 . 1 . 1 44 44 PHE H H 1 9.5320 0.01 . 1 . . . . . 44 PHE H . 27925 1 503 . 1 . 1 44 44 PHE HA H 1 5.1360 0.01 . 1 . . . . . 44 PHE HA . 27925 1 504 . 1 . 1 44 44 PHE HB2 H 1 2.5240 0.01 . 2 . . . . . 44 PHE HB2 . 27925 1 505 . 1 . 1 44 44 PHE HB3 H 1 2.5240 0.01 . 2 . . . . . 44 PHE HB3 . 27925 1 506 . 1 . 1 44 44 PHE HD1 H 1 6.8420 0.01 . 3 . . . . . 44 PHE HD1 . 27925 1 507 . 1 . 1 44 44 PHE HD2 H 1 6.8420 0.01 . 3 . . . . . 44 PHE HD2 . 27925 1 508 . 1 . 1 44 44 PHE HE1 H 1 7.1390 0.01 . 3 . . . . . 44 PHE HE1 . 27925 1 509 . 1 . 1 44 44 PHE HE2 H 1 7.1390 0.01 . 3 . . . . . 44 PHE HE2 . 27925 1 510 . 1 . 1 44 44 PHE HZ H 1 7.3020 0.01 . 1 . . . . . 44 PHE HZ . 27925 1 511 . 1 . 1 44 44 PHE C C 13 173.5110 0.15 . 1 . . . . . 44 PHE C . 27925 1 512 . 1 . 1 44 44 PHE CA C 13 56.5000 0.15 . 1 . . . . . 44 PHE CA . 27925 1 513 . 1 . 1 44 44 PHE CB C 13 42.4000 0.15 . 1 . . . . . 44 PHE CB . 27925 1 514 . 1 . 1 44 44 PHE CD1 C 13 131.2300 0.15 . 3 . . . . . 44 PHE CD1 . 27925 1 515 . 1 . 1 44 44 PHE CD2 C 13 131.2300 0.15 . 3 . . . . . 44 PHE CD2 . 27925 1 516 . 1 . 1 44 44 PHE CE1 C 13 130.0900 0.15 . 3 . . . . . 44 PHE CE1 . 27925 1 517 . 1 . 1 44 44 PHE CE2 C 13 130.0900 0.15 . 3 . . . . . 44 PHE CE2 . 27925 1 518 . 1 . 1 44 44 PHE CZ C 13 130.1300 0.15 . 1 . . . . . 44 PHE CZ . 27925 1 519 . 1 . 1 44 44 PHE N N 15 123.7830 0.1 . 1 . . . . . 44 PHE N . 27925 1 520 . 1 . 1 45 45 GLN H H 1 9.7930 0.01 . 1 . . . . . 45 GLN H . 27925 1 521 . 1 . 1 45 45 GLN HA H 1 5.2020 0.01 . 1 . . . . . 45 GLN HA . 27925 1 522 . 1 . 1 45 45 GLN HB2 H 1 2.1080 0.01 . 2 . . . . . 45 GLN HB2 . 27925 1 523 . 1 . 1 45 45 GLN HB3 H 1 2.1080 0.01 . 2 . . . . . 45 GLN HB3 . 27925 1 524 . 1 . 1 45 45 GLN HG2 H 1 2.2860 0.01 . 2 . . . . . 45 GLN HG2 . 27925 1 525 . 1 . 1 45 45 GLN HG3 H 1 2.2860 0.01 . 1 . . . . . 45 GLN HG3 . 27925 1 526 . 1 . 1 45 45 GLN HE21 H 1 6.9560 0.01 . 2 . . . . . 45 GLN HE21 . 27925 1 527 . 1 . 1 45 45 GLN HE22 H 1 7.3740 0.01 . 2 . . . . . 45 GLN HE22 . 27925 1 528 . 1 . 1 45 45 GLN C C 13 174.0650 0.15 . 1 . . . . . 45 GLN C . 27925 1 529 . 1 . 1 45 45 GLN CA C 13 54.2900 0.15 . 1 . . . . . 45 GLN CA . 27925 1 530 . 1 . 1 45 45 GLN CB C 13 33.4000 0.15 . 1 . . . . . 45 GLN CB . 27925 1 531 . 1 . 1 45 45 GLN CG C 13 34.2900 0.15 . 1 . . . . . 45 GLN CG . 27925 1 532 . 1 . 1 45 45 GLN N N 15 123.0970 0.1 . 1 . . . . . 45 GLN N . 27925 1 533 . 1 . 1 45 45 GLN NE2 N 15 112.2250 0.1 . 1 . . . . . 45 GLN NE2 . 27925 1 534 . 1 . 1 46 46 LEU H H 1 9.0340 0.01 . 1 . . . . . 46 LEU H . 27925 1 535 . 1 . 1 46 46 LEU HA H 1 5.3580 0.01 . 1 . . . . . 46 LEU HA . 27925 1 536 . 1 . 1 46 46 LEU HB2 H 1 1.7900 0.01 . 2 . . . . . 46 LEU HB2 . 27925 1 537 . 1 . 1 46 46 LEU HB3 H 1 2.0320 0.01 . 2 . . . . . 46 LEU HB3 . 27925 1 538 . 1 . 1 46 46 LEU HG H 1 1.6130 0.01 . 1 . . . . . 46 LEU HG . 27925 1 539 . 1 . 1 46 46 LEU HD11 H 1 0.8630 0.01 . 2 . . . . . 46 LEU HD11 . 27925 1 540 . 1 . 1 46 46 LEU HD12 H 1 0.8630 0.01 . 2 . . . . . 46 LEU HD11 . 27925 1 541 . 1 . 1 46 46 LEU HD13 H 1 0.8630 0.01 . 2 . . . . . 46 LEU HD11 . 27925 1 542 . 1 . 1 46 46 LEU HD21 H 1 0.7620 0.01 . 2 . . . . . 46 LEU HD21 . 27925 1 543 . 1 . 1 46 46 LEU HD22 H 1 0.7620 0.01 . 2 . . . . . 46 LEU HD21 . 27925 1 544 . 1 . 1 46 46 LEU HD23 H 1 0.7620 0.01 . 2 . . . . . 46 LEU HD21 . 27925 1 545 . 1 . 1 46 46 LEU C C 13 176.7930 0.15 . 1 . . . . . 46 LEU C . 27925 1 546 . 1 . 1 46 46 LEU CA C 13 53.6600 0.15 . 1 . . . . . 46 LEU CA . 27925 1 547 . 1 . 1 46 46 LEU CB C 13 45.8000 0.15 . 1 . . . . . 46 LEU CB . 27925 1 548 . 1 . 1 46 46 LEU CG C 13 27.8000 0.15 . 1 . . . . . 46 LEU CG . 27925 1 549 . 1 . 1 46 46 LEU CD1 C 13 25.3900 0.15 . 2 . . . . . 46 LEU CD1 . 27925 1 550 . 1 . 1 46 46 LEU CD2 C 13 25.3900 0.15 . 2 . . . . . 46 LEU CD2 . 27925 1 551 . 1 . 1 46 46 LEU N N 15 127.8800 0.1 . 1 . . . . . 46 LEU N . 27925 1 552 . 1 . 1 47 47 ASP H H 1 8.4980 0.01 . 1 . . . . . 47 ASP H . 27925 1 553 . 1 . 1 47 47 ASP HA H 1 4.8000 0.01 . 1 . . . . . 47 ASP HA . 27925 1 554 . 1 . 1 47 47 ASP HB2 H 1 2.6660 0.01 . 2 . . . . . 47 ASP HB2 . 27925 1 555 . 1 . 1 47 47 ASP HB3 H 1 3.1600 0.01 . 2 . . . . . 47 ASP HB3 . 27925 1 556 . 1 . 1 47 47 ASP C C 13 175.0100 0.15 . 1 . . . . . 47 ASP C . 27925 1 557 . 1 . 1 47 47 ASP CA C 13 53.6000 0.15 . 1 . . . . . 47 ASP CA . 27925 1 558 . 1 . 1 47 47 ASP CB C 13 41.0000 0.15 . 1 . . . . . 47 ASP CB . 27925 1 559 . 1 . 1 47 47 ASP N N 15 117.6500 0.1 . 1 . . . . . 47 ASP N . 27925 1 560 . 1 . 1 48 48 ARG H H 1 7.4970 0.01 . 1 . . . . . 48 ARG H . 27925 1 561 . 1 . 1 48 48 ARG HA H 1 4.3170 0.01 . 1 . . . . . 48 ARG HA . 27925 1 562 . 1 . 1 48 48 ARG HB2 H 1 1.8020 0.01 . 2 . . . . . 48 ARG HB2 . 27925 1 563 . 1 . 1 48 48 ARG HB3 H 1 1.8020 0.01 . 2 . . . . . 48 ARG HB3 . 27925 1 564 . 1 . 1 48 48 ARG HG2 H 1 1.3490 0.01 . 2 . . . . . 48 ARG HG2 . 27925 1 565 . 1 . 1 48 48 ARG HG3 H 1 1.3490 0.01 . 2 . . . . . 48 ARG HG3 . 27925 1 566 . 1 . 1 48 48 ARG HD2 H 1 3.0570 0.01 . 2 . . . . . 48 ARG HD2 . 27925 1 567 . 1 . 1 48 48 ARG HD3 H 1 3.0570 0.01 . 2 . . . . . 48 ARG HD3 . 27925 1 568 . 1 . 1 48 48 ARG HE H 1 7.4590 0.01 . 1 . . . . . 48 ARG HE . 27925 1 569 . 1 . 1 48 48 ARG C C 13 179.6850 0.15 . 1 . . . . . 48 ARG C . 27925 1 570 . 1 . 1 48 48 ARG CA C 13 52.7800 0.15 . 1 . . . . . 48 ARG CA . 27925 1 571 . 1 . 1 48 48 ARG CB C 13 30.3900 0.15 . 1 . . . . . 48 ARG CB . 27925 1 572 . 1 . 1 48 48 ARG CG C 13 26.9600 0.15 . 1 . . . . . 48 ARG CG . 27925 1 573 . 1 . 1 48 48 ARG CD C 13 43.0900 0.15 . 1 . . . . . 48 ARG CD . 27925 1 574 . 1 . 1 48 48 ARG N N 15 120.6500 0.1 . 1 . . . . . 48 ARG N . 27925 1 575 . 1 . 1 49 49 PRO HA H 1 4.4960 0.01 . 1 . . . . . 49 PRO HA . 27925 1 576 . 1 . 1 49 49 PRO HB2 H 1 2.1330 0.01 . 2 . . . . . 49 PRO HB2 . 27925 1 577 . 1 . 1 49 49 PRO HB3 H 1 1.9020 0.01 . 2 . . . . . 49 PRO HB3 . 27925 1 578 . 1 . 1 49 49 PRO HG2 H 1 2.0050 0.01 . 2 . . . . . 49 PRO HG2 . 27925 1 579 . 1 . 1 49 49 PRO HG3 H 1 1.8040 0.01 . 2 . . . . . 49 PRO HG3 . 27925 1 580 . 1 . 1 49 49 PRO HD2 H 1 3.8500 0.01 . 2 . . . . . 49 PRO HD2 . 27925 1 581 . 1 . 1 49 49 PRO HD3 H 1 3.6380 0.01 . 2 . . . . . 49 PRO HD3 . 27925 1 582 . 1 . 1 49 49 PRO C C 13 175.3880 0.15 . 1 . . . . . 49 PRO C . 27925 1 583 . 1 . 1 49 49 PRO CA C 13 61.1300 0.15 . 1 . . . . . 49 PRO CA . 27925 1 584 . 1 . 1 49 49 PRO CB C 13 32.6700 0.15 . 1 . . . . . 49 PRO CB . 27925 1 585 . 1 . 1 49 49 PRO CG C 13 27.6600 0.15 . 1 . . . . . 49 PRO CG . 27925 1 586 . 1 . 1 49 49 PRO CD C 13 50.5600 0.15 . 1 . . . . . 49 PRO CD . 27925 1 587 . 1 . 1 50 50 LEU H H 1 8.6130 0.01 . 1 . . . . . 50 LEU H . 27925 1 588 . 1 . 1 50 50 LEU HA H 1 4.3120 0.01 . 1 . . . . . 50 LEU HA . 27925 1 589 . 1 . 1 50 50 LEU HB2 H 1 1.8020 0.01 . 2 . . . . . 50 LEU HB2 . 27925 1 590 . 1 . 1 50 50 LEU HB3 H 1 1.8020 0.01 . 2 . . . . . 50 LEU HB3 . 27925 1 591 . 1 . 1 50 50 LEU HG H 1 1.1790 0.01 . 1 . . . . . 50 LEU HG . 27925 1 592 . 1 . 1 50 50 LEU HD11 H 1 0.7610 0.01 . 2 . . . . . 50 LEU HD11 . 27925 1 593 . 1 . 1 50 50 LEU HD12 H 1 0.7610 0.01 . 2 . . . . . 50 LEU HD11 . 27925 1 594 . 1 . 1 50 50 LEU HD13 H 1 0.7610 0.01 . 2 . . . . . 50 LEU HD11 . 27925 1 595 . 1 . 1 50 50 LEU HD21 H 1 0.7610 0.01 . 2 . . . . . 50 LEU HD21 . 27925 1 596 . 1 . 1 50 50 LEU HD22 H 1 0.7610 0.01 . 2 . . . . . 50 LEU HD21 . 27925 1 597 . 1 . 1 50 50 LEU HD23 H 1 0.7610 0.01 . 2 . . . . . 50 LEU HD21 . 27925 1 598 . 1 . 1 50 50 LEU C C 13 173.5080 0.15 . 1 . . . . . 50 LEU C . 27925 1 599 . 1 . 1 50 50 LEU CA C 13 53.3200 0.15 . 1 . . . . . 50 LEU CA . 27925 1 600 . 1 . 1 50 50 LEU CB C 13 43.5500 0.15 . 1 . . . . . 50 LEU CB . 27925 1 601 . 1 . 1 50 50 LEU CG C 13 27.1300 0.15 . 1 . . . . . 50 LEU CG . 27925 1 602 . 1 . 1 50 50 LEU CD1 C 13 22.2200 0.15 . 2 . . . . . 50 LEU CD1 . 27925 1 603 . 1 . 1 50 50 LEU CD2 C 13 22.2200 0.15 . 2 . . . . . 50 LEU CD2 . 27925 1 604 . 1 . 1 50 50 LEU N N 15 122.7000 0.1 . 1 . . . . . 50 LEU N . 27925 1 605 . 1 . 1 51 51 SER H H 1 8.1670 0.01 . 1 . . . . . 51 SER H . 27925 1 606 . 1 . 1 51 51 SER HA H 1 4.9820 0.01 . 1 . . . . . 51 SER HA . 27925 1 607 . 1 . 1 51 51 SER HB2 H 1 3.4900 0.01 . 2 . . . . . 51 SER HB2 . 27925 1 608 . 1 . 1 51 51 SER HB3 H 1 3.4900 0.01 . 2 . . . . . 51 SER HB3 . 27925 1 609 . 1 . 1 51 51 SER C C 13 171.8580 0.15 . 1 . . . . . 51 SER C . 27925 1 610 . 1 . 1 51 51 SER CA C 13 57.4800 0.15 . 1 . . . . . 51 SER CA . 27925 1 611 . 1 . 1 51 51 SER CB C 13 63.8100 0.15 . 1 . . . . . 51 SER CB . 27925 1 612 . 1 . 1 51 51 SER N N 15 122.8400 0.1 . 1 . . . . . 51 SER N . 27925 1 613 . 1 . 1 52 52 ILE H H 1 9.0650 0.01 . 1 . . . . . 52 ILE H . 27925 1 614 . 1 . 1 52 52 ILE HA H 1 4.1400 0.01 . 1 . . . . . 52 ILE HA . 27925 1 615 . 1 . 1 52 52 ILE HB H 1 1.9630 0.01 . 1 . . . . . 52 ILE HB . 27925 1 616 . 1 . 1 52 52 ILE HG12 H 1 -0.0470 0.01 . 2 . . . . . 52 ILE HG12 . 27925 1 617 . 1 . 1 52 52 ILE HG13 H 1 -0.0470 0.01 . 2 . . . . . 52 ILE HG13 . 27925 1 618 . 1 . 1 52 52 ILE HG21 H 1 0.8780 0.01 . 1 . . . . . 52 ILE HG21 . 27925 1 619 . 1 . 1 52 52 ILE HG22 H 1 0.8780 0.01 . 1 . . . . . 52 ILE HG21 . 27925 1 620 . 1 . 1 52 52 ILE HG23 H 1 0.8780 0.01 . 1 . . . . . 52 ILE HG21 . 27925 1 621 . 1 . 1 52 52 ILE HD11 H 1 -0.5800 0.01 . 1 . . . . . 52 ILE HD11 . 27925 1 622 . 1 . 1 52 52 ILE HD12 H 1 -0.5800 0.01 . 1 . . . . . 52 ILE HD11 . 27925 1 623 . 1 . 1 52 52 ILE HD13 H 1 -0.5800 0.01 . 1 . . . . . 52 ILE HD11 . 27925 1 624 . 1 . 1 52 52 ILE C C 13 174.5570 0.15 . 1 . . . . . 52 ILE C . 27925 1 625 . 1 . 1 52 52 ILE CA C 13 57.0000 0.15 . 1 . . . . . 52 ILE CA . 27925 1 626 . 1 . 1 52 52 ILE CB C 13 39.2400 0.15 . 1 . . . . . 52 ILE CB . 27925 1 627 . 1 . 1 52 52 ILE CG1 C 13 24.7500 0.15 . 1 . . . . . 52 ILE CG1 . 27925 1 628 . 1 . 1 52 52 ILE CG2 C 13 16.5200 0.15 . 1 . . . . . 52 ILE CG2 . 27925 1 629 . 1 . 1 52 52 ILE CD1 C 13 7.9200 0.15 . 1 . . . . . 52 ILE CD1 . 27925 1 630 . 1 . 1 52 52 ILE N N 15 126.6600 0.1 . 1 . . . . . 52 ILE N . 27925 1 631 . 1 . 1 53 53 ASP H H 1 7.7540 0.01 . 1 . . . . . 53 ASP H . 27925 1 632 . 1 . 1 53 53 ASP HA H 1 5.4380 0.01 . 1 . . . . . 53 ASP HA . 27925 1 633 . 1 . 1 53 53 ASP HB2 H 1 2.5720 0.01 . 2 . . . . . 53 ASP HB2 . 27925 1 634 . 1 . 1 53 53 ASP HB3 H 1 2.7170 0.01 . 2 . . . . . 53 ASP HB3 . 27925 1 635 . 1 . 1 53 53 ASP C C 13 173.8700 0.15 . 1 . . . . . 53 ASP C . 27925 1 636 . 1 . 1 53 53 ASP CA C 13 54.4800 0.15 . 1 . . . . . 53 ASP CA . 27925 1 637 . 1 . 1 53 53 ASP CB C 13 41.8000 0.15 . 1 . . . . . 53 ASP CB . 27925 1 638 . 1 . 1 53 53 ASP N N 15 129.2800 0.1 . 1 . . . . . 53 ASP N . 27925 1 639 . 1 . 1 54 54 TYR H H 1 9.2180 0.01 . 1 . . . . . 54 TYR H . 27925 1 640 . 1 . 1 54 54 TYR HA H 1 5.3030 0.01 . 1 . . . . . 54 TYR HA . 27925 1 641 . 1 . 1 54 54 TYR HB2 H 1 3.2320 0.01 . 2 . . . . . 54 TYR HB2 . 27925 1 642 . 1 . 1 54 54 TYR HB3 H 1 3.1060 0.01 . 2 . . . . . 54 TYR HB3 . 27925 1 643 . 1 . 1 54 54 TYR HD1 H 1 7.1210 0.01 . 3 . . . . . 54 TYR HD1 . 27925 1 644 . 1 . 1 54 54 TYR HD2 H 1 7.1210 0.01 . 3 . . . . . 54 TYR HD2 . 27925 1 645 . 1 . 1 54 54 TYR HE1 H 1 6.6010 0.01 . 3 . . . . . 54 TYR HE1 . 27925 1 646 . 1 . 1 54 54 TYR HE2 H 1 6.6010 0.01 . 3 . . . . . 54 TYR HE2 . 27925 1 647 . 1 . 1 54 54 TYR C C 13 171.7920 0.15 . 1 . . . . . 54 TYR C . 27925 1 648 . 1 . 1 54 54 TYR CA C 13 56.1100 0.15 . 1 . . . . . 54 TYR CA . 27925 1 649 . 1 . 1 54 54 TYR CB C 13 42.3000 0.15 . 1 . . . . . 54 TYR CB . 27925 1 650 . 1 . 1 54 54 TYR CD1 C 13 134.3800 0.15 . 3 . . . . . 54 TYR CD1 . 27925 1 651 . 1 . 1 54 54 TYR CD2 C 13 134.3800 0.15 . 3 . . . . . 54 TYR CD2 . 27925 1 652 . 1 . 1 54 54 TYR CE1 C 13 118.2600 0.15 . 3 . . . . . 54 TYR CE1 . 27925 1 653 . 1 . 1 54 54 TYR CE2 C 13 118.2600 0.15 . 3 . . . . . 54 TYR CE2 . 27925 1 654 . 1 . 1 54 54 TYR N N 15 118.8200 0.1 . 1 . . . . . 54 TYR N . 27925 1 655 . 1 . 1 55 55 SER H H 1 8.5020 0.01 . 1 . . . . . 55 SER H . 27925 1 656 . 1 . 1 55 55 SER HA H 1 4.4650 0.01 . 1 . . . . . 55 SER HA . 27925 1 657 . 1 . 1 55 55 SER HB2 H 1 3.0930 0.01 . 2 . . . . . 55 SER HB2 . 27925 1 658 . 1 . 1 55 55 SER HB3 H 1 3.2200 0.01 . 2 . . . . . 55 SER HB3 . 27925 1 659 . 1 . 1 55 55 SER C C 13 174.4170 0.15 . 1 . . . . . 55 SER C . 27925 1 660 . 1 . 1 55 55 SER CA C 13 56.8200 0.15 . 1 . . . . . 55 SER CA . 27925 1 661 . 1 . 1 55 55 SER CB C 13 64.1200 0.15 . 1 . . . . . 55 SER CB . 27925 1 662 . 1 . 1 55 55 SER N N 15 113.0600 0.1 . 1 . . . . . 55 SER N . 27925 1 663 . 1 . 1 56 56 LEU H H 1 8.5170 0.01 . 1 . . . . . 56 LEU H . 27925 1 664 . 1 . 1 56 56 LEU HA H 1 4.5380 0.01 . 1 . . . . . 56 LEU HA . 27925 1 665 . 1 . 1 56 56 LEU HB2 H 1 1.6430 0.01 . 2 . . . . . 56 LEU HB2 . 27925 1 666 . 1 . 1 56 56 LEU HB3 H 1 1.7070 0.01 . 2 . . . . . 56 LEU HB3 . 27925 1 667 . 1 . 1 56 56 LEU HG H 1 1.4660 0.01 . 1 . . . . . 56 LEU HG . 27925 1 668 . 1 . 1 56 56 LEU HD11 H 1 0.9240 0.01 . 2 . . . . . 56 LEU HD11 . 27925 1 669 . 1 . 1 56 56 LEU HD12 H 1 0.9240 0.01 . 2 . . . . . 56 LEU HD11 . 27925 1 670 . 1 . 1 56 56 LEU HD13 H 1 0.9240 0.01 . 2 . . . . . 56 LEU HD11 . 27925 1 671 . 1 . 1 56 56 LEU HD21 H 1 0.9240 0.01 . 2 . . . . . 56 LEU HD21 . 27925 1 672 . 1 . 1 56 56 LEU HD22 H 1 0.9240 0.01 . 2 . . . . . 56 LEU HD21 . 27925 1 673 . 1 . 1 56 56 LEU HD23 H 1 0.9240 0.01 . 2 . . . . . 56 LEU HD21 . 27925 1 674 . 1 . 1 56 56 LEU C C 13 177.4280 0.15 . 1 . . . . . 56 LEU C . 27925 1 675 . 1 . 1 56 56 LEU CA C 13 55.0300 0.15 . 1 . . . . . 56 LEU CA . 27925 1 676 . 1 . 1 56 56 LEU CB C 13 42.9000 0.15 . 1 . . . . . 56 LEU CB . 27925 1 677 . 1 . 1 56 56 LEU CG C 13 27.5400 0.15 . 1 . . . . . 56 LEU CG . 27925 1 678 . 1 . 1 56 56 LEU CD1 C 13 23.4600 0.15 . 2 . . . . . 56 LEU CD1 . 27925 1 679 . 1 . 1 56 56 LEU CD2 C 13 23.4600 0.15 . 2 . . . . . 56 LEU CD2 . 27925 1 680 . 1 . 1 56 56 LEU N N 15 126.2700 0.1 . 1 . . . . . 56 LEU N . 27925 1 681 . 1 . 1 57 57 GLY HA2 H 1 3.8970 0.01 . 2 . . . . . 57 GLY HA2 . 27925 1 682 . 1 . 1 57 57 GLY HA3 H 1 4.0250 0.01 . 2 . . . . . 57 GLY HA3 . 27925 1 683 . 1 . 1 57 57 GLY C C 13 173.5250 0.01 . 1 . . . . . 57 GLY C . 27925 1 684 . 1 . 1 57 57 GLY CA C 13 46.0400 0.01 . 1 . . . . . 57 GLY CA . 27925 1 685 . 1 . 1 58 58 THR H H 1 7.4780 0.01 . 1 . . . . . 58 THR H . 27925 1 686 . 1 . 1 58 58 THR HA H 1 4.4140 0.01 . 1 . . . . . 58 THR HA . 27925 1 687 . 1 . 1 58 58 THR HB H 1 4.2920 0.01 . 1 . . . . . 58 THR HB . 27925 1 688 . 1 . 1 58 58 THR HG21 H 1 1.1690 0.01 . 1 . . . . . 58 THR HG21 . 27925 1 689 . 1 . 1 58 58 THR HG22 H 1 1.1690 0.01 . 1 . . . . . 58 THR HG21 . 27925 1 690 . 1 . 1 58 58 THR HG23 H 1 1.1690 0.01 . 1 . . . . . 58 THR HG21 . 27925 1 691 . 1 . 1 58 58 THR C C 13 174.3510 0.15 . 1 . . . . . 58 THR C . 27925 1 692 . 1 . 1 58 58 THR CA C 13 61.4440 0.15 . 1 . . . . . 58 THR CA . 27925 1 693 . 1 . 1 58 58 THR CB C 13 69.8830 0.15 . 1 . . . . . 58 THR CB . 27925 1 694 . 1 . 1 58 58 THR CG2 C 13 22.3600 0.15 . 1 . . . . . 58 THR CG2 . 27925 1 695 . 1 . 1 58 58 THR N N 15 108.8700 0.1 . 1 . . . . . 58 THR N . 27925 1 696 . 1 . 1 59 59 GLY H H 1 8.2970 0.01 . 1 . . . . . 59 GLY H . 27925 1 697 . 1 . 1 59 59 GLY HA2 H 1 3.6110 0.01 . 2 . . . . . 59 GLY HA2 . 27925 1 698 . 1 . 1 59 59 GLY HA3 H 1 4.3220 0.01 . 1 . . . . . 59 GLY HA3 . 27925 1 699 . 1 . 1 59 59 GLY C C 13 172.6680 0.15 . 1 . . . . . 59 GLY C . 27925 1 700 . 1 . 1 59 59 GLY CA C 13 45.1600 0.15 . 1 . . . . . 59 GLY CA . 27925 1 701 . 1 . 1 59 59 GLY N N 15 111.1300 0.1 . 1 . . . . . 59 GLY N . 27925 1 702 . 1 . 1 60 60 ASP H H 1 7.5800 0.01 . 1 . . . . . 60 ASP H . 27925 1 703 . 1 . 1 60 60 ASP HA H 1 4.7810 0.01 . 1 . . . . . 60 ASP HA . 27925 1 704 . 1 . 1 60 60 ASP HB2 H 1 2.3300 0.01 . 2 . . . . . 60 ASP HB2 . 27925 1 705 . 1 . 1 60 60 ASP HB3 H 1 2.5980 0.01 . 2 . . . . . 60 ASP HB3 . 27925 1 706 . 1 . 1 60 60 ASP C C 13 173.7720 0.15 . 1 . . . . . 60 ASP C . 27925 1 707 . 1 . 1 60 60 ASP CA C 13 53.6100 0.15 . 1 . . . . . 60 ASP CA . 27925 1 708 . 1 . 1 60 60 ASP CB C 13 42.2600 0.15 . 1 . . . . . 60 ASP CB . 27925 1 709 . 1 . 1 60 60 ASP N N 15 119.7400 0.1 . 1 . . . . . 60 ASP N . 27925 1 710 . 1 . 1 61 61 VAL H H 1 8.4180 0.01 . 1 . . . . . 61 VAL H . 27925 1 711 . 1 . 1 61 61 VAL HA H 1 4.4770 0.01 . 1 . . . . . 61 VAL HA . 27925 1 712 . 1 . 1 61 61 VAL HB H 1 1.9010 0.01 . 1 . . . . . 61 VAL HB . 27925 1 713 . 1 . 1 61 61 VAL HG11 H 1 0.7860 0.01 . 2 . . . . . 61 VAL HG11 . 27925 1 714 . 1 . 1 61 61 VAL HG12 H 1 0.7860 0.01 . 2 . . . . . 61 VAL HG11 . 27925 1 715 . 1 . 1 61 61 VAL HG13 H 1 0.7860 0.01 . 2 . . . . . 61 VAL HG11 . 27925 1 716 . 1 . 1 61 61 VAL HG21 H 1 0.8430 0.01 . 2 . . . . . 61 VAL HG21 . 27925 1 717 . 1 . 1 61 61 VAL HG22 H 1 0.8430 0.01 . 2 . . . . . 61 VAL HG21 . 27925 1 718 . 1 . 1 61 61 VAL HG23 H 1 0.8430 0.01 . 2 . . . . . 61 VAL HG21 . 27925 1 719 . 1 . 1 61 61 VAL C C 13 173.8750 0.15 . 1 . . . . . 61 VAL C . 27925 1 720 . 1 . 1 61 61 VAL CA C 13 61.1000 0.15 . 1 . . . . . 61 VAL CA . 27925 1 721 . 1 . 1 61 61 VAL CB C 13 34.3000 0.15 . 1 . . . . . 61 VAL CB . 27925 1 722 . 1 . 1 61 61 VAL CG1 C 13 21.1400 0.15 . 2 . . . . . 61 VAL CG1 . 27925 1 723 . 1 . 1 61 61 VAL CG2 C 13 21.5000 0.15 . 2 . . . . . 61 VAL CG2 . 27925 1 724 . 1 . 1 61 61 VAL N N 15 120.4600 0.1 . 1 . . . . . 61 VAL N . 27925 1 725 . 1 . 1 62 62 ASP H H 1 8.4070 0.01 . 1 . . . . . 62 ASP H . 27925 1 726 . 1 . 1 62 62 ASP HA H 1 4.7720 0.01 . 1 . . . . . 62 ASP HA . 27925 1 727 . 1 . 1 62 62 ASP HB2 H 1 2.1560 0.01 . 2 . . . . . 62 ASP HB2 . 27925 1 728 . 1 . 1 62 62 ASP HB3 H 1 2.1140 0.01 . 2 . . . . . 62 ASP HB3 . 27925 1 729 . 1 . 1 62 62 ASP C C 13 172.1490 0.15 . 1 . . . . . 62 ASP C . 27925 1 730 . 1 . 1 62 62 ASP CA C 13 51.8000 0.15 . 1 . . . . . 62 ASP CA . 27925 1 731 . 1 . 1 62 62 ASP CB C 13 44.3000 0.15 . 1 . . . . . 62 ASP CB . 27925 1 732 . 1 . 1 62 62 ASP N N 15 126.7500 0.1 . 1 . . . . . 62 ASP N . 27925 1 733 . 1 . 1 63 63 ARG H H 1 8.9610 0.01 . 1 . . . . . 63 ARG H . 27925 1 734 . 1 . 1 63 63 ARG HA H 1 5.3800 0.01 . 1 . . . . . 63 ARG HA . 27925 1 735 . 1 . 1 63 63 ARG HB2 H 1 1.7020 0.01 . 2 . . . . . 63 ARG HB2 . 27925 1 736 . 1 . 1 63 63 ARG HB3 H 1 1.6510 0.01 . 2 . . . . . 63 ARG HB3 . 27925 1 737 . 1 . 1 63 63 ARG HG2 H 1 1.5450 0.01 . 2 . . . . . 63 ARG HG2 . 27925 1 738 . 1 . 1 63 63 ARG HG3 H 1 1.4500 0.01 . 2 . . . . . 63 ARG HG3 . 27925 1 739 . 1 . 1 63 63 ARG HD2 H 1 3.0540 0.01 . 2 . . . . . 63 ARG HD2 . 27925 1 740 . 1 . 1 63 63 ARG HD3 H 1 3.0540 0.01 . 2 . . . . . 63 ARG HD3 . 27925 1 741 . 1 . 1 63 63 ARG C C 13 174.3010 0.15 . 1 . . . . . 63 ARG C . 27925 1 742 . 1 . 1 63 63 ARG CA C 13 55.3800 0.15 . 1 . . . . . 63 ARG CA . 27925 1 743 . 1 . 1 63 63 ARG CB C 13 33.0000 0.15 . 1 . . . . . 63 ARG CB . 27925 1 744 . 1 . 1 63 63 ARG CG C 13 27.0000 0.15 . 1 . . . . . 63 ARG CG . 27925 1 745 . 1 . 1 63 63 ARG CD C 13 43.1000 0.15 . 1 . . . . . 63 ARG CD . 27925 1 746 . 1 . 1 63 63 ARG N N 15 118.8900 0.1 . 1 . . . . . 63 ARG N . 27925 1 747 . 1 . 1 64 64 ALA H H 1 9.1570 0.01 . 1 . . . . . 64 ALA H . 27925 1 748 . 1 . 1 64 64 ALA HA H 1 4.7350 0.01 . 1 . . . . . 64 ALA HA . 27925 1 749 . 1 . 1 64 64 ALA HB1 H 1 1.3050 0.01 . 1 . . . . . 64 ALA HB1 . 27925 1 750 . 1 . 1 64 64 ALA HB2 H 1 1.3050 0.01 . 1 . . . . . 64 ALA HB1 . 27925 1 751 . 1 . 1 64 64 ALA HB3 H 1 1.3050 0.01 . 1 . . . . . 64 ALA HB1 . 27925 1 752 . 1 . 1 64 64 ALA C C 13 173.9000 0.15 . 1 . . . . . 64 ALA C . 27925 1 753 . 1 . 1 64 64 ALA CA C 13 50.4900 0.15 . 1 . . . . . 64 ALA CA . 27925 1 754 . 1 . 1 64 64 ALA CB C 13 22.4400 0.15 . 1 . . . . . 64 ALA CB . 27925 1 755 . 1 . 1 64 64 ALA N N 15 130.3400 0.1 . 1 . . . . . 64 ALA N . 27925 1 756 . 1 . 1 65 65 VAL H H 1 7.8090 0.01 . 1 . . . . . 65 VAL H . 27925 1 757 . 1 . 1 65 65 VAL HA H 1 4.4720 0.01 . 1 . . . . . 65 VAL HA . 27925 1 758 . 1 . 1 65 65 VAL HB H 1 1.6210 0.01 . 1 . . . . . 65 VAL HB . 27925 1 759 . 1 . 1 65 65 VAL HG11 H 1 0.5260 0.01 . 2 . . . . . 65 VAL HG11 . 27925 1 760 . 1 . 1 65 65 VAL HG12 H 1 0.5260 0.01 . 2 . . . . . 65 VAL HG11 . 27925 1 761 . 1 . 1 65 65 VAL HG13 H 1 0.5260 0.01 . 2 . . . . . 65 VAL HG11 . 27925 1 762 . 1 . 1 65 65 VAL HG21 H 1 0.7370 0.01 . 2 . . . . . 65 VAL HG21 . 27925 1 763 . 1 . 1 65 65 VAL HG22 H 1 0.7370 0.01 . 2 . . . . . 65 VAL HG21 . 27925 1 764 . 1 . 1 65 65 VAL HG23 H 1 0.7370 0.01 . 2 . . . . . 65 VAL HG21 . 27925 1 765 . 1 . 1 65 65 VAL C C 13 173.8230 0.15 . 1 . . . . . 65 VAL C . 27925 1 766 . 1 . 1 65 65 VAL CA C 13 60.9500 0.15 . 1 . . . . . 65 VAL CA . 27925 1 767 . 1 . 1 65 65 VAL CB C 13 33.6400 0.15 . 1 . . . . . 65 VAL CB . 27925 1 768 . 1 . 1 65 65 VAL CG1 C 13 22.1000 0.15 . 2 . . . . . 65 VAL CG1 . 27925 1 769 . 1 . 1 65 65 VAL CG2 C 13 20.5000 0.15 . 2 . . . . . 65 VAL CG2 . 27925 1 770 . 1 . 1 65 65 VAL N N 15 117.9500 0.1 . 1 . . . . . 65 VAL N . 27925 1 771 . 1 . 1 66 66 TYR H H 1 8.7580 0.01 . 1 . . . . . 66 TYR H . 27925 1 772 . 1 . 1 66 66 TYR HA H 1 4.9560 0.01 . 1 . . . . . 66 TYR HA . 27925 1 773 . 1 . 1 66 66 TYR HB2 H 1 2.8070 0.01 . 2 . . . . . 66 TYR HB2 . 27925 1 774 . 1 . 1 66 66 TYR HB3 H 1 2.8070 0.01 . 2 . . . . . 66 TYR HB3 . 27925 1 775 . 1 . 1 66 66 TYR HD1 H 1 7.3710 0.01 . 3 . . . . . 66 TYR HD1 . 27925 1 776 . 1 . 1 66 66 TYR HD2 H 1 7.3710 0.01 . 3 . . . . . 66 TYR HD2 . 27925 1 777 . 1 . 1 66 66 TYR HE1 H 1 8.0400 0.01 . 3 . . . . . 66 TYR HE1 . 27925 1 778 . 1 . 1 66 66 TYR HE2 H 1 8.0400 0.01 . 3 . . . . . 66 TYR HE2 . 27925 1 779 . 1 . 1 66 66 TYR C C 13 172.9630 0.15 . 1 . . . . . 66 TYR C . 27925 1 780 . 1 . 1 66 66 TYR CA C 13 57.5000 0.15 . 1 . . . . . 66 TYR CA . 27925 1 781 . 1 . 1 66 66 TYR CB C 13 43.1000 0.15 . 1 . . . . . 66 TYR CB . 27925 1 782 . 1 . 1 66 66 TYR CD1 C 13 130.8600 0.15 . 3 . . . . . 66 TYR CD1 . 27925 1 783 . 1 . 1 66 66 TYR CD2 C 13 130.8600 0.15 . 3 . . . . . 66 TYR CD2 . 27925 1 784 . 1 . 1 66 66 TYR CE1 C 13 117.0100 0.15 . 3 . . . . . 66 TYR CE1 . 27925 1 785 . 1 . 1 66 66 TYR CE2 C 13 117.0100 0.15 . 3 . . . . . 66 TYR CE2 . 27925 1 786 . 1 . 1 66 66 TYR N N 15 122.5900 0.1 . 1 . . . . . 66 TYR N . 27925 1 787 . 1 . 1 67 67 TRP H H 1 9.8090 0.01 . 1 . . . . . 67 TRP H . 27925 1 788 . 1 . 1 67 67 TRP HA H 1 4.7150 0.01 . 1 . . . . . 67 TRP HA . 27925 1 789 . 1 . 1 67 67 TRP HB2 H 1 2.6690 0.01 . 2 . . . . . 67 TRP HB2 . 27925 1 790 . 1 . 1 67 67 TRP HB3 H 1 3.6040 0.01 . 2 . . . . . 67 TRP HB3 . 27925 1 791 . 1 . 1 67 67 TRP HD1 H 1 7.2730 0.01 . 1 . . . . . 67 TRP HD1 . 27925 1 792 . 1 . 1 67 67 TRP HE1 H 1 10.0890 0.01 . 1 . . . . . 67 TRP HE1 . 27925 1 793 . 1 . 1 67 67 TRP HE3 H 1 7.3590 0.01 . 1 . . . . . 67 TRP HE3 . 27925 1 794 . 1 . 1 67 67 TRP HZ2 H 1 7.3610 0.01 . 1 . . . . . 67 TRP HZ2 . 27925 1 795 . 1 . 1 67 67 TRP HZ3 H 1 6.9430 0.01 . 1 . . . . . 67 TRP HZ3 . 27925 1 796 . 1 . 1 67 67 TRP HH2 H 1 7.0450 0.01 . 1 . . . . . 67 TRP HH2 . 27925 1 797 . 1 . 1 67 67 TRP C C 13 172.6830 0.15 . 1 . . . . . 67 TRP C . 27925 1 798 . 1 . 1 67 67 TRP CA C 13 56.3000 0.15 . 1 . . . . . 67 TRP CA . 27925 1 799 . 1 . 1 67 67 TRP CB C 13 30.5700 0.15 . 1 . . . . . 67 TRP CB . 27925 1 800 . 1 . 1 67 67 TRP CD1 C 13 126.8900 0.15 . 1 . . . . . 67 TRP CD1 . 27925 1 801 . 1 . 1 67 67 TRP CE3 C 13 121.0300 0.15 . 1 . . . . . 67 TRP CE3 . 27925 1 802 . 1 . 1 67 67 TRP CZ2 C 13 113.7500 0.15 . 1 . . . . . 67 TRP CZ2 . 27925 1 803 . 1 . 1 67 67 TRP CZ3 C 13 120.8600 0.15 . 1 . . . . . 67 TRP CZ3 . 27925 1 804 . 1 . 1 67 67 TRP CH2 C 13 123.7400 0.15 . 1 . . . . . 67 TRP CH2 . 27925 1 805 . 1 . 1 67 67 TRP N N 15 118.5900 0.1 . 1 . . . . . 67 TRP N . 27925 1 806 . 1 . 1 67 67 TRP NE1 N 15 129.3600 0.1 . 1 . . . . . 67 TRP NE1 . 27925 1 807 . 1 . 1 68 68 HIS H H 1 7.6460 0.01 . 1 . . . . . 68 HIS H . 27925 1 808 . 1 . 1 68 68 HIS HA H 1 6.3470 0.01 . 1 . . . . . 68 HIS HA . 27925 1 809 . 1 . 1 68 68 HIS HB2 H 1 3.1870 0.01 . 2 . . . . . 68 HIS HB2 . 27925 1 810 . 1 . 1 68 68 HIS HB3 H 1 3.3640 0.01 . 2 . . . . . 68 HIS HB3 . 27925 1 811 . 1 . 1 68 68 HIS HD2 H 1 6.6640 0.01 . 1 . . . . . 68 HIS HD2 . 27925 1 812 . 1 . 1 68 68 HIS HE1 H 1 8.1900 0.01 . 1 . . . . . 68 HIS HE1 . 27925 1 813 . 1 . 1 68 68 HIS C C 13 172.7440 0.15 . 1 . . . . . 68 HIS C . 27925 1 814 . 1 . 1 68 68 HIS CA C 13 56.6000 0.15 . 1 . . . . . 68 HIS CA . 27925 1 815 . 1 . 1 68 68 HIS CB C 13 35.8000 0.15 . 1 . . . . . 68 HIS CB . 27925 1 816 . 1 . 1 68 68 HIS CD2 C 13 116.6300 0.15 . 1 . . . . . 68 HIS CD2 . 27925 1 817 . 1 . 1 68 68 HIS CE1 C 13 139.1900 0.15 . 1 . . . . . 68 HIS CE1 . 27925 1 818 . 1 . 1 68 68 HIS N N 15 114.6500 0.1 . 1 . . . . . 68 HIS N . 27925 1 819 . 1 . 1 69 69 LEU H H 1 9.0510 0.01 . 1 . . . . . 69 LEU H . 27925 1 820 . 1 . 1 69 69 LEU HA H 1 5.7610 0.01 . 1 . . . . . 69 LEU HA . 27925 1 821 . 1 . 1 69 69 LEU HB2 H 1 1.5590 0.01 . 2 . . . . . 69 LEU HB2 . 27925 1 822 . 1 . 1 69 69 LEU HB3 H 1 1.5020 0.01 . 2 . . . . . 69 LEU HB3 . 27925 1 823 . 1 . 1 69 69 LEU HG H 1 1.1780 0.01 . 1 . . . . . 69 LEU HG . 27925 1 824 . 1 . 1 69 69 LEU HD11 H 1 0.4070 0.01 . 2 . . . . . 69 LEU HD11 . 27925 1 825 . 1 . 1 69 69 LEU HD12 H 1 0.4070 0.01 . 2 . . . . . 69 LEU HD11 . 27925 1 826 . 1 . 1 69 69 LEU HD13 H 1 0.4070 0.01 . 2 . . . . . 69 LEU HD11 . 27925 1 827 . 1 . 1 69 69 LEU HD21 H 1 0.4070 0.01 . 2 . . . . . 69 LEU HD21 . 27925 1 828 . 1 . 1 69 69 LEU HD22 H 1 0.4070 0.01 . 2 . . . . . 69 LEU HD21 . 27925 1 829 . 1 . 1 69 69 LEU HD23 H 1 0.4070 0.01 . 2 . . . . . 69 LEU HD21 . 27925 1 830 . 1 . 1 69 69 LEU C C 13 174.3020 0.15 . 1 . . . . . 69 LEU C . 27925 1 831 . 1 . 1 69 69 LEU CA C 13 52.4300 0.15 . 1 . . . . . 69 LEU CA . 27925 1 832 . 1 . 1 69 69 LEU CB C 13 48.1500 0.15 . 1 . . . . . 69 LEU CB . 27925 1 833 . 1 . 1 69 69 LEU CG C 13 27.0500 0.15 . 1 . . . . . 69 LEU CG . 27925 1 834 . 1 . 1 69 69 LEU CD1 C 13 25.6000 0.15 . 2 . . . . . 69 LEU CD1 . 27925 1 835 . 1 . 1 69 69 LEU CD2 C 13 25.6000 0.15 . 2 . . . . . 69 LEU CD2 . 27925 1 836 . 1 . 1 69 69 LEU N N 15 117.9500 0.1 . 1 . . . . . 69 LEU N . 27925 1 837 . 1 . 1 70 70 LYS H H 1 9.0140 0.01 . 1 . . . . . 70 LYS H . 27925 1 838 . 1 . 1 70 70 LYS HA H 1 5.3550 0.01 . 1 . . . . . 70 LYS HA . 27925 1 839 . 1 . 1 70 70 LYS HB2 H 1 2.0360 0.01 . 2 . . . . . 70 LYS HB2 . 27925 1 840 . 1 . 1 70 70 LYS HB3 H 1 2.0360 0.01 . 2 . . . . . 70 LYS HB3 . 27925 1 841 . 1 . 1 70 70 LYS HG2 H 1 1.3350 0.01 . 2 . . . . . 70 LYS HG2 . 27925 1 842 . 1 . 1 70 70 LYS HG3 H 1 1.3350 0.01 . 2 . . . . . 70 LYS HG3 . 27925 1 843 . 1 . 1 70 70 LYS HD2 H 1 1.7930 0.01 . 2 . . . . . 70 LYS HD2 . 27925 1 844 . 1 . 1 70 70 LYS HD3 H 1 1.7930 0.01 . 2 . . . . . 70 LYS HD3 . 27925 1 845 . 1 . 1 70 70 LYS HE2 H 1 3.0590 0.01 . 2 . . . . . 70 LYS HE2 . 27925 1 846 . 1 . 1 70 70 LYS HE3 H 1 2.8600 0.01 . 2 . . . . . 70 LYS HE3 . 27925 1 847 . 1 . 1 70 70 LYS C C 13 174.2180 0.15 . 1 . . . . . 70 LYS C . 27925 1 848 . 1 . 1 70 70 LYS CA C 13 54.0300 0.15 . 1 . . . . . 70 LYS CA . 27925 1 849 . 1 . 1 70 70 LYS CB C 13 30.1100 0.15 . 1 . . . . . 70 LYS CB . 27925 1 850 . 1 . 1 70 70 LYS CG C 13 21.6800 0.15 . 1 . . . . . 70 LYS CG . 27925 1 851 . 1 . 1 70 70 LYS CD C 13 27.5400 0.15 . 1 . . . . . 70 LYS CD . 27925 1 852 . 1 . 1 70 70 LYS CE C 13 40.7500 0.15 . 1 . . . . . 70 LYS CE . 27925 1 853 . 1 . 1 70 70 LYS N N 15 122.2900 0.1 . 1 . . . . . 70 LYS N . 27925 1 854 . 1 . 1 71 71 LYS H H 1 9.3770 0.01 . 1 . . . . . 71 LYS H . 27925 1 855 . 1 . 1 71 71 LYS HA H 1 4.2490 0.01 . 1 . . . . . 71 LYS HA . 27925 1 856 . 1 . 1 71 71 LYS HB2 H 1 2.1870 0.01 . 2 . . . . . 71 LYS HB2 . 27925 1 857 . 1 . 1 71 71 LYS HB3 H 1 1.4200 0.01 . 2 . . . . . 71 LYS HB3 . 27925 1 858 . 1 . 1 71 71 LYS HG2 H 1 1.3860 0.01 . 2 . . . . . 71 LYS HG2 . 27925 1 859 . 1 . 1 71 71 LYS HG3 H 1 1.3860 0.01 . 2 . . . . . 71 LYS HG3 . 27925 1 860 . 1 . 1 71 71 LYS HD2 H 1 1.4940 0.01 . 2 . . . . . 71 LYS HD2 . 27925 1 861 . 1 . 1 71 71 LYS HD3 H 1 1.4540 0.01 . 2 . . . . . 71 LYS HD3 . 27925 1 862 . 1 . 1 71 71 LYS HE2 H 1 2.7970 0.01 . 2 . . . . . 71 LYS HE2 . 27925 1 863 . 1 . 1 71 71 LYS HE3 H 1 2.6590 0.01 . 2 . . . . . 71 LYS HE3 . 27925 1 864 . 1 . 1 71 71 LYS C C 13 174.3180 0.15 . 1 . . . . . 71 LYS C . 27925 1 865 . 1 . 1 71 71 LYS CA C 13 54.5800 0.15 . 1 . . . . . 71 LYS CA . 27925 1 866 . 1 . 1 71 71 LYS CB C 13 33.3800 0.15 . 1 . . . . . 71 LYS CB . 27925 1 867 . 1 . 1 71 71 LYS CG C 13 24.2400 0.15 . 1 . . . . . 71 LYS CG . 27925 1 868 . 1 . 1 71 71 LYS CD C 13 28.0500 0.15 . 1 . . . . . 71 LYS CD . 27925 1 869 . 1 . 1 71 71 LYS CE C 13 44.2300 0.15 . 1 . . . . . 71 LYS CE . 27925 1 870 . 1 . 1 71 71 LYS N N 15 128.6900 0.1 . 1 . . . . . 71 LYS N . 27925 1 871 . 1 . 1 72 72 PHE H H 1 9.4290 0.01 . 1 . . . . . 72 PHE H . 27925 1 872 . 1 . 1 72 72 PHE HA H 1 4.7080 0.01 . 1 . . . . . 72 PHE HA . 27925 1 873 . 1 . 1 72 72 PHE HB2 H 1 2.8550 0.01 . 2 . . . . . 72 PHE HB2 . 27925 1 874 . 1 . 1 72 72 PHE HB3 H 1 3.2100 0.01 . 2 . . . . . 72 PHE HB3 . 27925 1 875 . 1 . 1 72 72 PHE HD1 H 1 7.2940 0.01 . 3 . . . . . 72 PHE HD1 . 27925 1 876 . 1 . 1 72 72 PHE HD2 H 1 7.2940 0.01 . 3 . . . . . 72 PHE HD2 . 27925 1 877 . 1 . 1 72 72 PHE HE1 H 1 7.3560 0.01 . 3 . . . . . 72 PHE HE1 . 27925 1 878 . 1 . 1 72 72 PHE HE2 H 1 7.3560 0.01 . 3 . . . . . 72 PHE HE2 . 27925 1 879 . 1 . 1 72 72 PHE HZ H 1 7.3980 0.01 . 1 . . . . . 72 PHE HZ . 27925 1 880 . 1 . 1 72 72 PHE C C 13 173.8090 0.15 . 1 . . . . . 72 PHE C . 27925 1 881 . 1 . 1 72 72 PHE CA C 13 56.8600 0.15 . 1 . . . . . 72 PHE CA . 27925 1 882 . 1 . 1 72 72 PHE CB C 13 40.8500 0.15 . 1 . . . . . 72 PHE CB . 27925 1 883 . 1 . 1 72 72 PHE CD1 C 13 131.8400 0.15 . 3 . . . . . 72 PHE CD1 . 27925 1 884 . 1 . 1 72 72 PHE CD2 C 13 131.8400 0.15 . 3 . . . . . 72 PHE CD2 . 27925 1 885 . 1 . 1 72 72 PHE CE1 C 13 130.2100 0.15 . 3 . . . . . 72 PHE CE1 . 27925 1 886 . 1 . 1 72 72 PHE CE2 C 13 130.2100 0.15 . 3 . . . . . 72 PHE CE2 . 27925 1 887 . 1 . 1 72 72 PHE CZ C 13 130.2900 0.15 . 1 . . . . . 72 PHE CZ . 27925 1 888 . 1 . 1 72 72 PHE N N 15 130.1800 0.1 . 1 . . . . . 72 PHE N . 27925 1 889 . 1 . 1 73 73 ALA H H 1 8.9850 0.01 . 1 . . . . . 73 ALA H . 27925 1 890 . 1 . 1 73 73 ALA HA H 1 4.0620 0.01 . 1 . . . . . 73 ALA HA . 27925 1 891 . 1 . 1 73 73 ALA HB1 H 1 1.4930 0.01 . 1 . . . . . 73 ALA HB1 . 27925 1 892 . 1 . 1 73 73 ALA HB2 H 1 1.4930 0.01 . 1 . . . . . 73 ALA HB1 . 27925 1 893 . 1 . 1 73 73 ALA HB3 H 1 1.4930 0.01 . 1 . . . . . 73 ALA HB1 . 27925 1 894 . 1 . 1 73 73 ALA C C 13 176.8950 0.15 . 1 . . . . . 73 ALA C . 27925 1 895 . 1 . 1 73 73 ALA CA C 13 52.7200 0.15 . 1 . . . . . 73 ALA CA . 27925 1 896 . 1 . 1 73 73 ALA CB C 13 20.1000 0.15 . 1 . . . . . 73 ALA CB . 27925 1 897 . 1 . 1 73 73 ALA N N 15 124.9200 0.1 . 1 . . . . . 73 ALA N . 27925 1 898 . 1 . 1 74 74 GLY H H 1 8.4590 0.01 . 1 . . . . . 74 GLY H . 27925 1 899 . 1 . 1 74 74 GLY HA2 H 1 3.7270 0.01 . 2 . . . . . 74 GLY HA2 . 27925 1 900 . 1 . 1 74 74 GLY HA3 H 1 4.1680 0.01 . 2 . . . . . 74 GLY HA3 . 27925 1 901 . 1 . 1 74 74 GLY C C 13 172.1390 0.15 . 1 . . . . . 74 GLY C . 27925 1 902 . 1 . 1 74 74 GLY CA C 13 44.0600 0.15 . 1 . . . . . 74 GLY CA . 27925 1 903 . 1 . 1 74 74 GLY N N 15 104.7600 0.1 . 1 . . . . . 74 GLY N . 27925 1 904 . 1 . 1 75 75 ASN H H 1 7.1490 0.01 . 1 . . . . . 75 ASN H . 27925 1 905 . 1 . 1 75 75 ASN HA H 1 4.7570 0.01 . 1 . . . . . 75 ASN HA . 27925 1 906 . 1 . 1 75 75 ASN HB2 H 1 3.1420 0.01 . 2 . . . . . 75 ASN HB2 . 27925 1 907 . 1 . 1 75 75 ASN HB3 H 1 3.2860 0.01 . 2 . . . . . 75 ASN HB3 . 27925 1 908 . 1 . 1 75 75 ASN HD21 H 1 7.0220 0.01 . 2 . . . . . 75 ASN HD21 . 27925 1 909 . 1 . 1 75 75 ASN HD22 H 1 7.8930 0.01 . 2 . . . . . 75 ASN HD22 . 27925 1 910 . 1 . 1 75 75 ASN C C 13 174.6900 0.15 . 1 . . . . . 75 ASN C . 27925 1 911 . 1 . 1 75 75 ASN CA C 13 51.0400 0.15 . 1 . . . . . 75 ASN CA . 27925 1 912 . 1 . 1 75 75 ASN CB C 13 39.3600 0.15 . 1 . . . . . 75 ASN CB . 27925 1 913 . 1 . 1 75 75 ASN N N 15 116.3800 0.1 . 1 . . . . . 75 ASN N . 27925 1 914 . 1 . 1 75 75 ASN ND2 N 15 111.9170 0.1 . 1 . . . . . 75 ASN ND2 . 27925 1 915 . 1 . 1 76 76 ALA H H 1 8.3060 0.01 . 1 . . . . . 76 ALA H . 27925 1 916 . 1 . 1 76 76 ALA HA H 1 3.9950 0.01 . 1 . . . . . 76 ALA HA . 27925 1 917 . 1 . 1 76 76 ALA HB1 H 1 1.3990 0.01 . 1 . . . . . 76 ALA HB1 . 27925 1 918 . 1 . 1 76 76 ALA HB2 H 1 1.3990 0.01 . 1 . . . . . 76 ALA HB1 . 27925 1 919 . 1 . 1 76 76 ALA HB3 H 1 1.3990 0.01 . 1 . . . . . 76 ALA HB1 . 27925 1 920 . 1 . 1 76 76 ALA C C 13 178.6710 0.15 . 1 . . . . . 76 ALA C . 27925 1 921 . 1 . 1 76 76 ALA CA C 13 55.5000 0.15 . 1 . . . . . 76 ALA CA . 27925 1 922 . 1 . 1 76 76 ALA CB C 13 18.2400 0.15 . 1 . . . . . 76 ALA CB . 27925 1 923 . 1 . 1 76 76 ALA N N 15 118.8400 0.1 . 1 . . . . . 76 ALA N . 27925 1 924 . 1 . 1 77 77 GLY H H 1 8.0100 0.01 . 1 . . . . . 77 GLY H . 27925 1 925 . 1 . 1 77 77 GLY HA2 H 1 3.8980 0.01 . 2 . . . . . 77 GLY HA2 . 27925 1 926 . 1 . 1 77 77 GLY HA3 H 1 4.0170 0.01 . 2 . . . . . 77 GLY HA3 . 27925 1 927 . 1 . 1 77 77 GLY C C 13 173.8950 0.15 . 1 . . . . . 77 GLY C . 27925 1 928 . 1 . 1 77 77 GLY CA C 13 45.8000 0.15 . 1 . . . . . 77 GLY CA . 27925 1 929 . 1 . 1 77 77 GLY N N 15 102.9900 0.1 . 1 . . . . . 77 GLY N . 27925 1 930 . 1 . 1 78 78 THR H H 1 7.4490 0.01 . 1 . . . . . 78 THR H . 27925 1 931 . 1 . 1 78 78 THR HA H 1 4.4300 0.01 . 1 . . . . . 78 THR HA . 27925 1 932 . 1 . 1 78 78 THR HB H 1 3.7200 0.01 . 1 . . . . . 78 THR HB . 27925 1 933 . 1 . 1 78 78 THR HG1 H 1 1.2330 0.01 . 1 . . . . . 78 THR HG1 . 27925 1 934 . 1 . 1 78 78 THR HG21 H 1 0.5000 0.01 . 1 . . . . . 78 THR HG21 . 27925 1 935 . 1 . 1 78 78 THR HG22 H 1 0.5000 0.01 . 1 . . . . . 78 THR HG21 . 27925 1 936 . 1 . 1 78 78 THR HG23 H 1 0.5000 0.01 . 1 . . . . . 78 THR HG21 . 27925 1 937 . 1 . 1 78 78 THR C C 13 172.7100 0.15 . 1 . . . . . 78 THR C . 27925 1 938 . 1 . 1 78 78 THR CA C 13 59.3000 0.15 . 1 . . . . . 78 THR CA . 27925 1 939 . 1 . 1 78 78 THR CB C 13 70.5000 0.15 . 1 . . . . . 78 THR CB . 27925 1 940 . 1 . 1 78 78 THR CG2 C 13 21.6000 0.15 . 1 . . . . . 78 THR CG2 . 27925 1 941 . 1 . 1 78 78 THR N N 15 116.4200 0.1 . 1 . . . . . 78 THR N . 27925 1 942 . 1 . 1 79 79 PRO HA H 1 4.3590 0.01 . 1 . . . . . 79 PRO HA . 27925 1 943 . 1 . 1 79 79 PRO HB2 H 1 2.2150 0.01 . 2 . . . . . 79 PRO HB2 . 27925 1 944 . 1 . 1 79 79 PRO HB3 H 1 1.8780 0.01 . 2 . . . . . 79 PRO HB3 . 27925 1 945 . 1 . 1 79 79 PRO HG2 H 1 2.0080 0.01 . 2 . . . . . 79 PRO HG2 . 27925 1 946 . 1 . 1 79 79 PRO HG3 H 1 2.0080 0.01 . 2 . . . . . 79 PRO HG3 . 27925 1 947 . 1 . 1 79 79 PRO HD2 H 1 3.3950 0.01 . 2 . . . . . 79 PRO HD2 . 27925 1 948 . 1 . 1 79 79 PRO HD3 H 1 3.6050 0.01 . 2 . . . . . 79 PRO HD3 . 27925 1 949 . 1 . 1 79 79 PRO C C 13 177.2900 0.15 . 1 . . . . . 79 PRO C . 27925 1 950 . 1 . 1 79 79 PRO CA C 13 65.8600 0.15 . 1 . . . . . 79 PRO CA . 27925 1 951 . 1 . 1 79 79 PRO CB C 13 32.0000 0.15 . 1 . . . . . 79 PRO CB . 27925 1 952 . 1 . 1 79 79 PRO CG C 13 27.4900 0.15 . 1 . . . . . 79 PRO CG . 27925 1 953 . 1 . 1 79 79 PRO CD C 13 50.2900 0.15 . 1 . . . . . 79 PRO CD . 27925 1 954 . 1 . 1 80 80 ALA H H 1 7.8050 0.01 . 1 . . . . . 80 ALA H . 27925 1 955 . 1 . 1 80 80 ALA HA H 1 4.3570 0.01 . 1 . . . . . 80 ALA HA . 27925 1 956 . 1 . 1 80 80 ALA HB1 H 1 1.3470 0.01 . 1 . . . . . 80 ALA HB1 . 27925 1 957 . 1 . 1 80 80 ALA HB2 H 1 1.3470 0.01 . 1 . . . . . 80 ALA HB1 . 27925 1 958 . 1 . 1 80 80 ALA HB3 H 1 1.3470 0.01 . 1 . . . . . 80 ALA HB1 . 27925 1 959 . 1 . 1 80 80 ALA C C 13 175.7420 0.15 . 1 . . . . . 80 ALA C . 27925 1 960 . 1 . 1 80 80 ALA CA C 13 52.1700 0.15 . 1 . . . . . 80 ALA CA . 27925 1 961 . 1 . 1 80 80 ALA CB C 13 18.4000 0.15 . 1 . . . . . 80 ALA CB . 27925 1 962 . 1 . 1 80 80 ALA N N 15 117.6000 0.1 . 1 . . . . . 80 ALA N . 27925 1 963 . 1 . 1 81 81 GLY H H 1 7.0750 0.01 . 1 . . . . . 81 GLY H . 27925 1 964 . 1 . 1 81 81 GLY HA2 H 1 2.4890 0.01 . 2 . . . . . 81 GLY HA2 . 27925 1 965 . 1 . 1 81 81 GLY HA3 H 1 4.0120 0.01 . 2 . . . . . 81 GLY HA3 . 27925 1 966 . 1 . 1 81 81 GLY C C 13 172.2740 0.15 . 1 . . . . . 81 GLY C . 27925 1 967 . 1 . 1 81 81 GLY CA C 13 44.9100 0.15 . 1 . . . . . 81 GLY CA . 27925 1 968 . 1 . 1 81 81 GLY N N 15 101.6250 0.1 . 1 . . . . . 81 GLY N . 27925 1 969 . 1 . 1 82 82 TRP H H 1 8.6700 0.01 . 1 . . . . . 82 TRP H . 27925 1 970 . 1 . 1 82 82 TRP HA H 1 5.2350 0.01 . 1 . . . . . 82 TRP HA . 27925 1 971 . 1 . 1 82 82 TRP HB2 H 1 2.7350 0.01 . 2 . . . . . 82 TRP HB2 . 27925 1 972 . 1 . 1 82 82 TRP HB3 H 1 2.9590 0.01 . 2 . . . . . 82 TRP HB3 . 27925 1 973 . 1 . 1 82 82 TRP HD1 H 1 6.7290 0.01 . 1 . . . . . 82 TRP HD1 . 27925 1 974 . 1 . 1 82 82 TRP HE1 H 1 10.1410 0.01 . 1 . . . . . 82 TRP HE1 . 27925 1 975 . 1 . 1 82 82 TRP HE3 H 1 7.3940 0.01 . 1 . . . . . 82 TRP HE3 . 27925 1 976 . 1 . 1 82 82 TRP HZ2 H 1 7.4980 0.01 . 1 . . . . . 82 TRP HZ2 . 27925 1 977 . 1 . 1 82 82 TRP HZ3 H 1 7.3310 0.01 . 1 . . . . . 82 TRP HZ3 . 27925 1 978 . 1 . 1 82 82 TRP HH2 H 1 7.1710 0.01 . 1 . . . . . 82 TRP HH2 . 27925 1 979 . 1 . 1 82 82 TRP C C 13 172.9470 0.15 . 1 . . . . . 82 TRP C . 27925 1 980 . 1 . 1 82 82 TRP CA C 13 58.6500 0.15 . 1 . . . . . 82 TRP CA . 27925 1 981 . 1 . 1 82 82 TRP CB C 13 35.2200 0.15 . 1 . . . . . 82 TRP CB . 27925 1 982 . 1 . 1 82 82 TRP CD1 C 13 126.8900 0.15 . 1 . . . . . 82 TRP CD1 . 27925 1 983 . 1 . 1 82 82 TRP CE3 C 13 121.2400 0.15 . 1 . . . . . 82 TRP CE3 . 27925 1 984 . 1 . 1 82 82 TRP CZ2 C 13 114.7300 0.15 . 1 . . . . . 82 TRP CZ2 . 27925 1 985 . 1 . 1 82 82 TRP CZ3 C 13 121.0300 0.15 . 1 . . . . . 82 TRP CZ3 . 27925 1 986 . 1 . 1 82 82 TRP CH2 C 13 124.1700 0.15 . 1 . . . . . 82 TRP CH2 . 27925 1 987 . 1 . 1 82 82 TRP N N 15 118.2600 0.1 . 1 . . . . . 82 TRP N . 27925 1 988 . 1 . 1 82 82 TRP NE1 N 15 129.8600 0.1 . 1 . . . . . 82 TRP NE1 . 27925 1 989 . 1 . 1 83 83 PHE H H 1 8.7590 0.01 . 1 . . . . . 83 PHE H . 27925 1 990 . 1 . 1 83 83 PHE HA H 1 5.5520 0.01 . 1 . . . . . 83 PHE HA . 27925 1 991 . 1 . 1 83 83 PHE HB2 H 1 1.5780 0.01 . 2 . . . . . 83 PHE HB2 . 27925 1 992 . 1 . 1 83 83 PHE HB3 H 1 2.5200 0.01 . 2 . . . . . 83 PHE HB3 . 27925 1 993 . 1 . 1 83 83 PHE HD1 H 1 6.8010 0.01 . 3 . . . . . 83 PHE HD1 . 27925 1 994 . 1 . 1 83 83 PHE HD2 H 1 6.8010 0.01 . 3 . . . . . 83 PHE HD2 . 27925 1 995 . 1 . 1 83 83 PHE HE1 H 1 7.1660 0.01 . 3 . . . . . 83 PHE HE1 . 27925 1 996 . 1 . 1 83 83 PHE HE2 H 1 7.1660 0.01 . 3 . . . . . 83 PHE HE2 . 27925 1 997 . 1 . 1 83 83 PHE HZ H 1 7.3230 0.01 . 1 . . . . . 83 PHE HZ . 27925 1 998 . 1 . 1 83 83 PHE C C 13 174.2570 0.15 . 1 . . . . . 83 PHE C . 27925 1 999 . 1 . 1 83 83 PHE CA C 13 57.4100 0.15 . 1 . . . . . 83 PHE CA . 27925 1 1000 . 1 . 1 83 83 PHE CB C 13 43.5000 0.15 . 1 . . . . . 83 PHE CB . 27925 1 1001 . 1 . 1 83 83 PHE CD1 C 13 131.4300 0.15 . 3 . . . . . 83 PHE CD1 . 27925 1 1002 . 1 . 1 83 83 PHE CD2 C 13 131.4300 0.15 . 3 . . . . . 83 PHE CD2 . 27925 1 1003 . 1 . 1 83 83 PHE CE1 C 13 129.8500 0.15 . 3 . . . . . 83 PHE CE1 . 27925 1 1004 . 1 . 1 83 83 PHE CE2 C 13 129.8500 0.15 . 3 . . . . . 83 PHE CE2 . 27925 1 1005 . 1 . 1 83 83 PHE CZ C 13 128.8300 0.15 . 1 . . . . . 83 PHE CZ . 27925 1 1006 . 1 . 1 83 83 PHE N N 15 115.5300 0.1 . 1 . . . . . 83 PHE N . 27925 1 1007 . 1 . 1 84 84 ARG H H 1 8.6670 0.01 . 1 . . . . . 84 ARG H . 27925 1 1008 . 1 . 1 84 84 ARG HA H 1 4.4000 0.01 . 1 . . . . . 84 ARG HA . 27925 1 1009 . 1 . 1 84 84 ARG HB2 H 1 1.7540 0.01 . 2 . . . . . 84 ARG HB2 . 27925 1 1010 . 1 . 1 84 84 ARG HB3 H 1 1.8040 0.01 . 2 . . . . . 84 ARG HB3 . 27925 1 1011 . 1 . 1 84 84 ARG HG2 H 1 1.4710 0.01 . 2 . . . . . 84 ARG HG2 . 27925 1 1012 . 1 . 1 84 84 ARG HG3 H 1 1.4710 0.01 . 2 . . . . . 84 ARG HG3 . 27925 1 1013 . 1 . 1 84 84 ARG HD2 H 1 3.0610 0.01 . 2 . . . . . 84 ARG HD2 . 27925 1 1014 . 1 . 1 84 84 ARG HD3 H 1 3.0610 0.01 . 2 . . . . . 84 ARG HD3 . 27925 1 1015 . 1 . 1 84 84 ARG C C 13 174.9610 0.15 . 1 . . . . . 84 ARG C . 27925 1 1016 . 1 . 1 84 84 ARG CA C 13 55.5000 0.15 . 1 . . . . . 84 ARG CA . 27925 1 1017 . 1 . 1 84 84 ARG CB C 13 32.8000 0.15 . 1 . . . . . 84 ARG CB . 27925 1 1018 . 1 . 1 84 84 ARG CG C 13 27.3000 0.15 . 1 . . . . . 84 ARG CG . 27925 1 1019 . 1 . 1 84 84 ARG CD C 13 43.5000 0.15 . 1 . . . . . 84 ARG CD . 27925 1 1020 . 1 . 1 84 84 ARG N N 15 114.9800 0.1 . 1 . . . . . 84 ARG N . 27925 1 1021 . 1 . 1 85 85 TRP H H 1 6.4070 0.01 . 1 . . . . . 85 TRP H . 27925 1 1022 . 1 . 1 85 85 TRP HA H 1 5.7900 0.01 . 1 . . . . . 85 TRP HA . 27925 1 1023 . 1 . 1 85 85 TRP HB2 H 1 2.8600 0.01 . 2 . . . . . 85 TRP HB2 . 27925 1 1024 . 1 . 1 85 85 TRP HB3 H 1 3.3000 0.01 . 2 . . . . . 85 TRP HB3 . 27925 1 1025 . 1 . 1 85 85 TRP HD1 H 1 5.7640 0.01 . 1 . . . . . 85 TRP HD1 . 27925 1 1026 . 1 . 1 85 85 TRP HE1 H 1 11.4620 0.01 . 1 . . . . . 85 TRP HE1 . 27925 1 1027 . 1 . 1 85 85 TRP HZ2 H 1 7.3980 0.01 . 1 . . . . . 85 TRP HZ2 . 27925 1 1028 . 1 . 1 85 85 TRP HZ3 H 1 7.3120 0.01 . 1 . . . . . 85 TRP HZ3 . 27925 1 1029 . 1 . 1 85 85 TRP HH2 H 1 7.1460 0.01 . 1 . . . . . 85 TRP HH2 . 27925 1 1030 . 1 . 1 85 85 TRP C C 13 174.7790 0.15 . 1 . . . . . 85 TRP C . 27925 1 1031 . 1 . 1 85 85 TRP CA C 13 55.5000 0.15 . 1 . . . . . 85 TRP CA . 27925 1 1032 . 1 . 1 85 85 TRP CB C 13 30.2400 0.15 . 1 . . . . . 85 TRP CB . 27925 1 1033 . 1 . 1 85 85 TRP CD1 C 13 127.2910 0.15 . 1 . . . . . 85 TRP CD1 . 27925 1 1034 . 1 . 1 85 85 TRP CZ2 C 13 117.4400 0.15 . 1 . . . . . 85 TRP CZ2 . 27925 1 1035 . 1 . 1 85 85 TRP CZ3 C 13 121.0300 0.15 . 1 . . . . . 85 TRP CZ3 . 27925 1 1036 . 1 . 1 85 85 TRP CH2 C 13 123.3600 0.15 . 1 . . . . . 85 TRP CH2 . 27925 1 1037 . 1 . 1 85 85 TRP N N 15 118.1200 0.1 . 1 . . . . . 85 TRP N . 27925 1 1038 . 1 . 1 85 85 TRP NE1 N 15 133.3200 0.1 . 1 . . . . . 85 TRP NE1 . 27925 1 1039 . 1 . 1 86 86 GLY H H 1 8.2570 0.01 . 1 . . . . . 86 GLY H . 27925 1 1040 . 1 . 1 86 86 GLY HA2 H 1 3.5540 0.01 . 2 . . . . . 86 GLY HA2 . 27925 1 1041 . 1 . 1 86 86 GLY HA3 H 1 3.9040 0.01 . 2 . . . . . 86 GLY HA3 . 27925 1 1042 . 1 . 1 86 86 GLY C C 13 170.2450 0.15 . 1 . . . . . 86 GLY C . 27925 1 1043 . 1 . 1 86 86 GLY CA C 13 47.0000 0.15 . 1 . . . . . 86 GLY CA . 27925 1 1044 . 1 . 1 86 86 GLY N N 15 106.8000 0.1 . 1 . . . . . 86 GLY N . 27925 1 1045 . 1 . 1 87 87 ILE H H 1 8.4250 0.01 . 1 . . . . . 87 ILE H . 27925 1 1046 . 1 . 1 87 87 ILE HA H 1 4.5800 0.01 . 1 . . . . . 87 ILE HA . 27925 1 1047 . 1 . 1 87 87 ILE HB H 1 2.1380 0.01 . 1 . . . . . 87 ILE HB . 27925 1 1048 . 1 . 1 87 87 ILE HG12 H 1 1.1410 0.01 . 2 . . . . . 87 ILE HG12 . 27925 1 1049 . 1 . 1 87 87 ILE HG13 H 1 1.2900 0.01 . 2 . . . . . 87 ILE HG13 . 27925 1 1050 . 1 . 1 87 87 ILE HG21 H 1 0.8420 0.01 . 1 . . . . . 87 ILE HG21 . 27925 1 1051 . 1 . 1 87 87 ILE HG22 H 1 0.8420 0.01 . 1 . . . . . 87 ILE HG21 . 27925 1 1052 . 1 . 1 87 87 ILE HG23 H 1 0.8420 0.01 . 1 . . . . . 87 ILE HG21 . 27925 1 1053 . 1 . 1 87 87 ILE HD11 H 1 0.7830 0.01 . 1 . . . . . 87 ILE HD11 . 27925 1 1054 . 1 . 1 87 87 ILE HD12 H 1 0.7830 0.01 . 1 . . . . . 87 ILE HD11 . 27925 1 1055 . 1 . 1 87 87 ILE HD13 H 1 0.7830 0.01 . 1 . . . . . 87 ILE HD11 . 27925 1 1056 . 1 . 1 87 87 ILE C C 13 173.8730 0.15 . 1 . . . . . 87 ILE C . 27925 1 1057 . 1 . 1 87 87 ILE CA C 13 61.0300 0.15 . 1 . . . . . 87 ILE CA . 27925 1 1058 . 1 . 1 87 87 ILE CB C 13 34.0900 0.15 . 1 . . . . . 87 ILE CB . 27925 1 1059 . 1 . 1 87 87 ILE CG1 C 13 24.6000 0.15 . 1 . . . . . 87 ILE CG1 . 27925 1 1060 . 1 . 1 87 87 ILE CG2 C 13 17.1600 0.15 . 1 . . . . . 87 ILE CG2 . 27925 1 1061 . 1 . 1 87 87 ILE CD1 C 13 14.0100 0.15 . 1 . . . . . 87 ILE CD1 . 27925 1 1062 . 1 . 1 87 87 ILE N N 15 120.8200 0.1 . 1 . . . . . 87 ILE N . 27925 1 1063 . 1 . 1 88 88 TRP H H 1 7.2950 0.01 . 1 . . . . . 88 TRP H . 27925 1 1064 . 1 . 1 88 88 TRP HA H 1 5.3650 0.01 . 1 . . . . . 88 TRP HA . 27925 1 1065 . 1 . 1 88 88 TRP HB2 H 1 1.3390 0.01 . 2 . . . . . 88 TRP HB2 . 27925 1 1066 . 1 . 1 88 88 TRP HB3 H 1 2.4820 0.01 . 2 . . . . . 88 TRP HB3 . 27925 1 1067 . 1 . 1 88 88 TRP HD1 H 1 6.8650 0.01 . 1 . . . . . 88 TRP HD1 . 27925 1 1068 . 1 . 1 88 88 TRP HE1 H 1 10.1390 0.01 . 1 . . . . . 88 TRP HE1 . 27925 1 1069 . 1 . 1 88 88 TRP HE3 H 1 7.6270 0.01 . 1 . . . . . 88 TRP HE3 . 27925 1 1070 . 1 . 1 88 88 TRP HZ2 H 1 7.3960 0.01 . 1 . . . . . 88 TRP HZ2 . 27925 1 1071 . 1 . 1 88 88 TRP HZ3 H 1 7.3730 0.01 . 1 . . . . . 88 TRP HZ3 . 27925 1 1072 . 1 . 1 88 88 TRP HH2 H 1 7.1810 0.01 . 1 . . . . . 88 TRP HH2 . 27925 1 1073 . 1 . 1 88 88 TRP C C 13 172.4410 0.15 . 1 . . . . . 88 TRP C . 27925 1 1074 . 1 . 1 88 88 TRP CA C 13 54.5200 0.15 . 1 . . . . . 88 TRP CA . 27925 1 1075 . 1 . 1 88 88 TRP CB C 13 30.4000 0.15 . 1 . . . . . 88 TRP CB . 27925 1 1076 . 1 . 1 88 88 TRP CD1 C 13 127.3800 0.15 . 1 . . . . . 88 TRP CD1 . 27925 1 1077 . 1 . 1 88 88 TRP CE3 C 13 121.0800 0.15 . 1 . . . . . 88 TRP CE3 . 27925 1 1078 . 1 . 1 88 88 TRP CZ2 C 13 114.1900 0.15 . 1 . . . . . 88 TRP CZ2 . 27925 1 1079 . 1 . 1 88 88 TRP CZ3 C 13 123.0300 0.15 . 1 . . . . . 88 TRP CZ3 . 27925 1 1080 . 1 . 1 88 88 TRP CH2 C 13 124.2300 0.15 . 1 . . . . . 88 TRP CH2 . 27925 1 1081 . 1 . 1 88 88 TRP N N 15 129.1600 0.1 . 1 . . . . . 88 TRP N . 27925 1 1082 . 1 . 1 88 88 TRP NE1 N 15 128.7350 0.1 . 1 . . . . . 88 TRP NE1 . 27925 1 1083 . 1 . 1 89 89 ASP H H 1 8.1870 0.01 . 1 . . . . . 89 ASP H . 27925 1 1084 . 1 . 1 89 89 ASP HA H 1 4.5370 0.01 . 1 . . . . . 89 ASP HA . 27925 1 1085 . 1 . 1 89 89 ASP HB2 H 1 2.3190 0.01 . 2 . . . . . 89 ASP HB2 . 27925 1 1086 . 1 . 1 89 89 ASP HB3 H 1 2.8400 0.01 . 2 . . . . . 89 ASP HB3 . 27925 1 1087 . 1 . 1 89 89 ASP C C 13 174.6620 0.15 . 1 . . . . . 89 ASP C . 27925 1 1088 . 1 . 1 89 89 ASP CA C 13 51.6700 0.15 . 1 . . . . . 89 ASP CA . 27925 1 1089 . 1 . 1 89 89 ASP CB C 13 41.7400 0.15 . 1 . . . . . 89 ASP CB . 27925 1 1090 . 1 . 1 89 89 ASP N N 15 128.5500 0.1 . 1 . . . . . 89 ASP N . 27925 1 1091 . 1 . 1 90 90 ASN H H 1 8.5700 0.01 . 1 . . . . . 90 ASN H . 27925 1 1092 . 1 . 1 90 90 ASN HA H 1 4.0240 0.01 . 1 . . . . . 90 ASN HA . 27925 1 1093 . 1 . 1 90 90 ASN HB2 H 1 2.6530 0.01 . 2 . . . . . 90 ASN HB2 . 27925 1 1094 . 1 . 1 90 90 ASN HB3 H 1 2.7820 0.01 . 2 . . . . . 90 ASN HB3 . 27925 1 1095 . 1 . 1 90 90 ASN HD21 H 1 7.0600 0.01 . 2 . . . . . 90 ASN HD21 . 27925 1 1096 . 1 . 1 90 90 ASN HD22 H 1 7.6190 0.01 . 2 . . . . . 90 ASN HD22 . 27925 1 1097 . 1 . 1 90 90 ASN C C 13 174.3490 0.15 . 1 . . . . . 90 ASN C . 27925 1 1098 . 1 . 1 90 90 ASN CA C 13 55.1100 0.15 . 1 . . . . . 90 ASN CA . 27925 1 1099 . 1 . 1 90 90 ASN CB C 13 40.5000 0.15 . 1 . . . . . 90 ASN CB . 27925 1 1100 . 1 . 1 90 90 ASN N N 15 121.9300 0.1 . 1 . . . . . 90 ASN N . 27925 1 1101 . 1 . 1 90 90 ASN ND2 N 15 114.7940 0.1 . 1 . . . . . 90 ASN ND2 . 27925 1 1102 . 1 . 1 91 91 PHE H H 1 8.3970 0.01 . 1 . . . . . 91 PHE H . 27925 1 1103 . 1 . 1 91 91 PHE HA H 1 4.3950 0.01 . 1 . . . . . 91 PHE HA . 27925 1 1104 . 1 . 1 91 91 PHE HB2 H 1 3.0820 0.01 . 2 . . . . . 91 PHE HB2 . 27925 1 1105 . 1 . 1 91 91 PHE HB3 H 1 3.1360 0.01 . 2 . . . . . 91 PHE HB3 . 27925 1 1106 . 1 . 1 91 91 PHE HD1 H 1 7.2400 0.01 . 3 . . . . . 91 PHE HD1 . 27925 1 1107 . 1 . 1 91 91 PHE HD2 H 1 7.2400 0.01 . 3 . . . . . 91 PHE HD2 . 27925 1 1108 . 1 . 1 91 91 PHE HE1 H 1 7.3540 0.01 . 3 . . . . . 91 PHE HE1 . 27925 1 1109 . 1 . 1 91 91 PHE HE2 H 1 7.3540 0.01 . 3 . . . . . 91 PHE HE2 . 27925 1 1110 . 1 . 1 91 91 PHE HZ H 1 7.4220 0.01 . 1 . . . . . 91 PHE HZ . 27925 1 1111 . 1 . 1 91 91 PHE C C 13 175.7860 0.15 . 1 . . . . . 91 PHE C . 27925 1 1112 . 1 . 1 91 91 PHE CA C 13 60.2900 0.15 . 1 . . . . . 91 PHE CA . 27925 1 1113 . 1 . 1 91 91 PHE CB C 13 39.0500 0.15 . 1 . . . . . 91 PHE CB . 27925 1 1114 . 1 . 1 91 91 PHE CD1 C 13 131.7200 0.15 . 3 . . . . . 91 PHE CD1 . 27925 1 1115 . 1 . 1 91 91 PHE CD2 C 13 131.7200 0.15 . 3 . . . . . 91 PHE CD2 . 27925 1 1116 . 1 . 1 91 91 PHE CE1 C 13 131.6400 0.15 . 3 . . . . . 91 PHE CE1 . 27925 1 1117 . 1 . 1 91 91 PHE CE2 C 13 131.6400 0.15 . 3 . . . . . 91 PHE CE2 . 27925 1 1118 . 1 . 1 91 91 PHE CZ C 13 131.7200 0.15 . 1 . . . . . 91 PHE CZ . 27925 1 1119 . 1 . 1 91 91 PHE N N 15 119.0000 0.1 . 1 . . . . . 91 PHE N . 27925 1 1120 . 1 . 1 92 92 ASN H H 1 7.7770 0.01 . 1 . . . . . 92 ASN H . 27925 1 1121 . 1 . 1 92 92 ASN HA H 1 4.4320 0.01 . 1 . . . . . 92 ASN HA . 27925 1 1122 . 1 . 1 92 92 ASN HB2 H 1 2.3260 0.01 . 2 . . . . . 92 ASN HB2 . 27925 1 1123 . 1 . 1 92 92 ASN HB3 H 1 2.6000 0.01 . 2 . . . . . 92 ASN HB3 . 27925 1 1124 . 1 . 1 92 92 ASN HD21 H 1 6.9780 0.01 . 2 . . . . . 92 ASN HD21 . 27925 1 1125 . 1 . 1 92 92 ASN HD22 H 1 8.2950 0.01 . 2 . . . . . 92 ASN HD22 . 27925 1 1126 . 1 . 1 92 92 ASN C C 13 173.2430 0.15 . 1 . . . . . 92 ASN C . 27925 1 1127 . 1 . 1 92 92 ASN CA C 13 53.4200 0.15 . 1 . . . . . 92 ASN CA . 27925 1 1128 . 1 . 1 92 92 ASN CB C 13 39.3000 0.15 . 1 . . . . . 92 ASN CB . 27925 1 1129 . 1 . 1 92 92 ASN N N 15 115.4200 0.1 . 1 . . . . . 92 ASN N . 27925 1 1130 . 1 . 1 92 92 ASN ND2 N 15 115.7950 0.1 . 1 . . . . . 92 ASN ND2 . 27925 1 1131 . 1 . 1 93 93 LYS H H 1 7.5430 0.01 . 1 . . . . . 93 LYS H . 27925 1 1132 . 1 . 1 93 93 LYS HA H 1 3.9900 0.01 . 1 . . . . . 93 LYS HA . 27925 1 1133 . 1 . 1 93 93 LYS HB2 H 1 2.5880 0.01 . 2 . . . . . 93 LYS HB2 . 27925 1 1134 . 1 . 1 93 93 LYS HB3 H 1 2.5880 0.01 . 2 . . . . . 93 LYS HB3 . 27925 1 1135 . 1 . 1 93 93 LYS HG2 H 1 1.3970 0.01 . 2 . . . . . 93 LYS HG2 . 27925 1 1136 . 1 . 1 93 93 LYS HG3 H 1 1.3970 0.01 . 2 . . . . . 93 LYS HG3 . 27925 1 1137 . 1 . 1 93 93 LYS HD2 H 1 1.9650 0.01 . 2 . . . . . 93 LYS HD2 . 27925 1 1138 . 1 . 1 93 93 LYS HD3 H 1 1.9650 0.01 . 2 . . . . . 93 LYS HD3 . 27925 1 1139 . 1 . 1 93 93 LYS HE2 H 1 3.0610 0.01 . 2 . . . . . 93 LYS HE2 . 27925 1 1140 . 1 . 1 93 93 LYS HE3 H 1 3.0610 0.01 . 2 . . . . . 93 LYS HE3 . 27925 1 1141 . 1 . 1 93 93 LYS C C 13 174.0780 0.15 . 1 . . . . . 93 LYS C . 27925 1 1142 . 1 . 1 93 93 LYS CA C 13 55.7000 0.15 . 1 . . . . . 93 LYS CA . 27925 1 1143 . 1 . 1 93 93 LYS CB C 13 35.9700 0.15 . 1 . . . . . 93 LYS CB . 27925 1 1144 . 1 . 1 93 93 LYS CG C 13 27.0200 0.15 . 1 . . . . . 93 LYS CG . 27925 1 1145 . 1 . 1 93 93 LYS CD C 13 27.6400 0.15 . 1 . . . . . 93 LYS CD . 27925 1 1146 . 1 . 1 93 93 LYS CE C 13 42.6700 0.15 . 1 . . . . . 93 LYS CE . 27925 1 1147 . 1 . 1 93 93 LYS N N 15 116.7400 0.1 . 1 . . . . . 93 LYS N . 27925 1 1148 . 1 . 1 94 94 THR H H 1 6.5890 0.01 . 1 . . . . . 94 THR H . 27925 1 1149 . 1 . 1 94 94 THR HA H 1 4.6000 0.01 . 1 . . . . . 94 THR HA . 27925 1 1150 . 1 . 1 94 94 THR HB H 1 3.9400 0.01 . 1 . . . . . 94 THR HB . 27925 1 1151 . 1 . 1 94 94 THR HG21 H 1 0.9800 0.01 . 1 . . . . . 94 THR HG21 . 27925 1 1152 . 1 . 1 94 94 THR HG22 H 1 0.9800 0.01 . 1 . . . . . 94 THR HG21 . 27925 1 1153 . 1 . 1 94 94 THR HG23 H 1 0.9800 0.01 . 1 . . . . . 94 THR HG21 . 27925 1 1154 . 1 . 1 94 94 THR C C 13 171.0020 0.15 . 1 . . . . . 94 THR C . 27925 1 1155 . 1 . 1 94 94 THR CA C 13 61.0900 0.15 . 1 . . . . . 94 THR CA . 27925 1 1156 . 1 . 1 94 94 THR CB C 13 72.3000 0.15 . 1 . . . . . 94 THR CB . 27925 1 1157 . 1 . 1 94 94 THR CG2 C 13 21.1000 0.15 . 1 . . . . . 94 THR CG2 . 27925 1 1158 . 1 . 1 94 94 THR N N 15 107.5950 0.1 . 1 . . . . . 94 THR N . 27925 1 1159 . 1 . 1 95 95 PHE H H 1 9.0420 0.01 . 1 . . . . . 95 PHE H . 27925 1 1160 . 1 . 1 95 95 PHE HA H 1 5.5700 0.01 . 1 . . . . . 95 PHE HA . 27925 1 1161 . 1 . 1 95 95 PHE HB2 H 1 3.1370 0.01 . 2 . . . . . 95 PHE HB2 . 27925 1 1162 . 1 . 1 95 95 PHE HB3 H 1 3.2490 0.01 . 2 . . . . . 95 PHE HB3 . 27925 1 1163 . 1 . 1 95 95 PHE HD1 H 1 7.1230 0.01 . 3 . . . . . 95 PHE HD1 . 27925 1 1164 . 1 . 1 95 95 PHE HD2 H 1 7.1230 0.01 . 3 . . . . . 95 PHE HD2 . 27925 1 1165 . 1 . 1 95 95 PHE HE1 H 1 6.8260 0.01 . 3 . . . . . 95 PHE HE1 . 27925 1 1166 . 1 . 1 95 95 PHE HE2 H 1 6.8260 0.01 . 3 . . . . . 95 PHE HE2 . 27925 1 1167 . 1 . 1 95 95 PHE C C 13 173.9370 0.15 . 1 . . . . . 95 PHE C . 27925 1 1168 . 1 . 1 95 95 PHE CA C 13 57.0200 0.15 . 1 . . . . . 95 PHE CA . 27925 1 1169 . 1 . 1 95 95 PHE CB C 13 43.1000 0.15 . 1 . . . . . 95 PHE CB . 27925 1 1170 . 1 . 1 95 95 PHE CD1 C 13 131.1900 0.15 . 3 . . . . . 95 PHE CD1 . 27925 1 1171 . 1 . 1 95 95 PHE CD2 C 13 131.1900 0.15 . 3 . . . . . 95 PHE CD2 . 27925 1 1172 . 1 . 1 95 95 PHE CE1 C 13 129.5200 0.15 . 3 . . . . . 95 PHE CE1 . 27925 1 1173 . 1 . 1 95 95 PHE CE2 C 13 129.5200 0.15 . 3 . . . . . 95 PHE CE2 . 27925 1 1174 . 1 . 1 95 95 PHE N N 15 125.3700 0.1 . 1 . . . . . 95 PHE N . 27925 1 1175 . 1 . 1 96 96 THR H H 1 8.3070 0.01 . 1 . . . . . 96 THR H . 27925 1 1176 . 1 . 1 96 96 THR HA H 1 4.4900 0.01 . 1 . . . . . 96 THR HA . 27925 1 1177 . 1 . 1 96 96 THR HB H 1 3.7600 0.01 . 1 . . . . . 96 THR HB . 27925 1 1178 . 1 . 1 96 96 THR HG21 H 1 1.2500 0.01 . 1 . . . . . 96 THR HG21 . 27925 1 1179 . 1 . 1 96 96 THR HG22 H 1 1.2500 0.01 . 1 . . . . . 96 THR HG21 . 27925 1 1180 . 1 . 1 96 96 THR HG23 H 1 1.2500 0.01 . 1 . . . . . 96 THR HG21 . 27925 1 1181 . 1 . 1 96 96 THR C C 13 171.5800 0.15 . 1 . . . . . 96 THR C . 27925 1 1182 . 1 . 1 96 96 THR CA C 13 60.9200 0.15 . 1 . . . . . 96 THR CA . 27925 1 1183 . 1 . 1 96 96 THR CB C 13 70.8000 0.15 . 1 . . . . . 96 THR CB . 27925 1 1184 . 1 . 1 96 96 THR CG2 C 13 20.8000 0.15 . 1 . . . . . 96 THR CG2 . 27925 1 1185 . 1 . 1 96 96 THR N N 15 126.1600 0.1 . 1 . . . . . 96 THR N . 27925 1 1186 . 1 . 1 97 97 ASP H H 1 8.7590 0.01 . 1 . . . . . 97 ASP H . 27925 1 1187 . 1 . 1 97 97 ASP HA H 1 4.3410 0.01 . 1 . . . . . 97 ASP HA . 27925 1 1188 . 1 . 1 97 97 ASP HB2 H 1 2.5140 0.01 . 2 . . . . . 97 ASP HB2 . 27925 1 1189 . 1 . 1 97 97 ASP HB3 H 1 2.8310 0.01 . 2 . . . . . 97 ASP HB3 . 27925 1 1190 . 1 . 1 97 97 ASP C C 13 176.7070 0.15 . 1 . . . . . 97 ASP C . 27925 1 1191 . 1 . 1 97 97 ASP CA C 13 55.8500 0.15 . 1 . . . . . 97 ASP CA . 27925 1 1192 . 1 . 1 97 97 ASP CB C 13 40.7000 0.15 . 1 . . . . . 97 ASP CB . 27925 1 1193 . 1 . 1 97 97 ASP N N 15 129.1400 0.1 . 1 . . . . . 97 ASP N . 27925 1 1194 . 1 . 1 98 98 GLY H H 1 8.4010 0.01 . 1 . . . . . 98 GLY H . 27925 1 1195 . 1 . 1 98 98 GLY HA2 H 1 4.0420 0.01 . 2 . . . . . 98 GLY HA2 . 27925 1 1196 . 1 . 1 98 98 GLY HA3 H 1 4.2750 0.01 . 2 . . . . . 98 GLY HA3 . 27925 1 1197 . 1 . 1 98 98 GLY C C 13 171.0140 0.15 . 1 . . . . . 98 GLY C . 27925 1 1198 . 1 . 1 98 98 GLY CA C 13 43.9100 0.15 . 1 . . . . . 98 GLY CA . 27925 1 1199 . 1 . 1 98 98 GLY N N 15 107.0600 0.1 . 1 . . . . . 98 GLY N . 27925 1 1200 . 1 . 1 99 99 VAL H H 1 7.9880 0.01 . 1 . . . . . 99 VAL H . 27925 1 1201 . 1 . 1 99 99 VAL HA H 1 4.0740 0.01 . 1 . . . . . 99 VAL HA . 27925 1 1202 . 1 . 1 99 99 VAL HB H 1 2.0400 0.01 . 1 . . . . . 99 VAL HB . 27925 1 1203 . 1 . 1 99 99 VAL HG11 H 1 0.5510 0.01 . 2 . . . . . 99 VAL HG11 . 27925 1 1204 . 1 . 1 99 99 VAL HG12 H 1 0.5510 0.01 . 2 . . . . . 99 VAL HG11 . 27925 1 1205 . 1 . 1 99 99 VAL HG13 H 1 0.5510 0.01 . 2 . . . . . 99 VAL HG11 . 27925 1 1206 . 1 . 1 99 99 VAL HG21 H 1 0.8720 0.01 . 2 . . . . . 99 VAL HG21 . 27925 1 1207 . 1 . 1 99 99 VAL HG22 H 1 0.8720 0.01 . 2 . . . . . 99 VAL HG21 . 27925 1 1208 . 1 . 1 99 99 VAL HG23 H 1 0.8720 0.01 . 2 . . . . . 99 VAL HG21 . 27925 1 1209 . 1 . 1 99 99 VAL C C 13 173.4840 0.15 . 1 . . . . . 99 VAL C . 27925 1 1210 . 1 . 1 99 99 VAL CA C 13 61.5600 0.15 . 1 . . . . . 99 VAL CA . 27925 1 1211 . 1 . 1 99 99 VAL CB C 13 32.6000 0.15 . 1 . . . . . 99 VAL CB . 27925 1 1212 . 1 . 1 99 99 VAL CG1 C 13 20.5300 0.15 . 2 . . . . . 99 VAL CG1 . 27925 1 1213 . 1 . 1 99 99 VAL CG2 C 13 18.2300 0.15 . 2 . . . . . 99 VAL CG2 . 27925 1 1214 . 1 . 1 99 99 VAL N N 15 113.1400 0.1 . 1 . . . . . 99 VAL N . 27925 1 1215 . 1 . 1 100 100 ALA H H 1 8.0410 0.01 . 1 . . . . . 100 ALA H . 27925 1 1216 . 1 . 1 100 100 ALA HA H 1 4.8570 0.01 . 1 . . . . . 100 ALA HA . 27925 1 1217 . 1 . 1 100 100 ALA HB1 H 1 1.4150 0.01 . 1 . . . . . 100 ALA HB1 . 27925 1 1218 . 1 . 1 100 100 ALA HB2 H 1 1.4150 0.01 . 1 . . . . . 100 ALA HB1 . 27925 1 1219 . 1 . 1 100 100 ALA HB3 H 1 1.4150 0.01 . 1 . . . . . 100 ALA HB1 . 27925 1 1220 . 1 . 1 100 100 ALA C C 13 177.1230 0.15 . 1 . . . . . 100 ALA C . 27925 1 1221 . 1 . 1 100 100 ALA CA C 13 51.7000 0.15 . 1 . . . . . 100 ALA CA . 27925 1 1222 . 1 . 1 100 100 ALA CB C 13 19.3000 0.15 . 1 . . . . . 100 ALA CB . 27925 1 1223 . 1 . 1 100 100 ALA N N 15 122.3200 0.1 . 1 . . . . . 100 ALA N . 27925 1 1224 . 1 . 1 101 101 TYR H H 1 9.8350 0.01 . 1 . . . . . 101 TYR H . 27925 1 1225 . 1 . 1 101 101 TYR HA H 1 5.0640 0.01 . 1 . . . . . 101 TYR HA . 27925 1 1226 . 1 . 1 101 101 TYR HB2 H 1 3.3220 0.01 . 2 . . . . . 101 TYR HB2 . 27925 1 1227 . 1 . 1 101 101 TYR HB3 H 1 3.2010 0.01 . 2 . . . . . 101 TYR HB3 . 27925 1 1228 . 1 . 1 101 101 TYR HD1 H 1 7.1950 0.01 . 3 . . . . . 101 TYR HD1 . 27925 1 1229 . 1 . 1 101 101 TYR HD2 H 1 7.1950 0.01 . 3 . . . . . 101 TYR HD2 . 27925 1 1230 . 1 . 1 101 101 TYR HE1 H 1 6.8680 0.01 . 3 . . . . . 101 TYR HE1 . 27925 1 1231 . 1 . 1 101 101 TYR HE2 H 1 6.8680 0.01 . 3 . . . . . 101 TYR HE2 . 27925 1 1232 . 1 . 1 101 101 TYR C C 13 174.9630 0.15 . 1 . . . . . 101 TYR C . 27925 1 1233 . 1 . 1 101 101 TYR CA C 13 57.2400 0.15 . 1 . . . . . 101 TYR CA . 27925 1 1234 . 1 . 1 101 101 TYR CB C 13 39.3800 0.15 . 1 . . . . . 101 TYR CB . 27925 1 1235 . 1 . 1 101 101 TYR CD1 C 13 133.4000 0.15 . 3 . . . . . 101 TYR CD1 . 27925 1 1236 . 1 . 1 101 101 TYR CD2 C 13 133.4000 0.15 . 3 . . . . . 101 TYR CD2 . 27925 1 1237 . 1 . 1 101 101 TYR CE1 C 13 117.9300 0.15 . 3 . . . . . 101 TYR CE1 . 27925 1 1238 . 1 . 1 101 101 TYR CE2 C 13 117.9300 0.15 . 3 . . . . . 101 TYR CE2 . 27925 1 1239 . 1 . 1 101 101 TYR N N 15 123.9240 0.1 . 1 . . . . . 101 TYR N . 27925 1 1240 . 1 . 1 102 102 TYR H H 1 8.3320 0.01 . 1 . . . . . 102 TYR H . 27925 1 1241 . 1 . 1 102 102 TYR HA H 1 4.4000 0.01 . 1 . . . . . 102 TYR HA . 27925 1 1242 . 1 . 1 102 102 TYR HB2 H 1 2.4980 0.01 . 2 . . . . . 102 TYR HB2 . 27925 1 1243 . 1 . 1 102 102 TYR HB3 H 1 2.9170 0.01 . 2 . . . . . 102 TYR HB3 . 27925 1 1244 . 1 . 1 102 102 TYR HD1 H 1 6.9480 0.01 . 3 . . . . . 102 TYR HD1 . 27925 1 1245 . 1 . 1 102 102 TYR HD2 H 1 6.9480 0.01 . 3 . . . . . 102 TYR HD2 . 27925 1 1246 . 1 . 1 102 102 TYR HE1 H 1 6.7220 0.01 . 3 . . . . . 102 TYR HE1 . 27925 1 1247 . 1 . 1 102 102 TYR HE2 H 1 6.7220 0.01 . 3 . . . . . 102 TYR HE2 . 27925 1 1248 . 1 . 1 102 102 TYR C C 13 170.9830 0.15 . 1 . . . . . 102 TYR C . 27925 1 1249 . 1 . 1 102 102 TYR CA C 13 56.3000 0.15 . 1 . . . . . 102 TYR CA . 27925 1 1250 . 1 . 1 102 102 TYR CB C 13 40.3000 0.15 . 1 . . . . . 102 TYR CB . 27925 1 1251 . 1 . 1 102 102 TYR CD1 C 13 133.1800 0.15 . 3 . . . . . 102 TYR CD1 . 27925 1 1252 . 1 . 1 102 102 TYR CD2 C 13 133.1800 0.15 . 3 . . . . . 102 TYR CD2 . 27925 1 1253 . 1 . 1 102 102 TYR CE1 C 13 118.3100 0.15 . 3 . . . . . 102 TYR CE1 . 27925 1 1254 . 1 . 1 102 102 TYR CE2 C 13 118.3100 0.15 . 3 . . . . . 102 TYR CE2 . 27925 1 1255 . 1 . 1 102 102 TYR N N 15 132.8800 0.1 . 1 . . . . . 102 TYR N . 27925 1 1256 . 1 . 1 103 103 SER H H 1 7.5210 0.01 . 1 . . . . . 103 SER H . 27925 1 1257 . 1 . 1 103 103 SER HA H 1 3.9880 0.01 . 1 . . . . . 103 SER HA . 27925 1 1258 . 1 . 1 103 103 SER HB2 H 1 3.7380 0.01 . 2 . . . . . 103 SER HB2 . 27925 1 1259 . 1 . 1 103 103 SER HB3 H 1 3.6530 0.01 . 2 . . . . . 103 SER HB3 . 27925 1 1260 . 1 . 1 103 103 SER C C 13 173.1720 0.15 . 1 . . . . . 103 SER C . 27925 1 1261 . 1 . 1 103 103 SER CA C 13 57.2800 0.15 . 1 . . . . . 103 SER CA . 27925 1 1262 . 1 . 1 103 103 SER CB C 13 63.9500 0.15 . 1 . . . . . 103 SER CB . 27925 1 1263 . 1 . 1 103 103 SER N N 15 118.8400 0.1 . 1 . . . . . 103 SER N . 27925 1 1264 . 1 . 1 104 104 ASP H H 1 8.5540 0.01 . 1 . . . . . 104 ASP H . 27925 1 1265 . 1 . 1 104 104 ASP HA H 1 4.5440 0.01 . 1 . . . . . 104 ASP HA . 27925 1 1266 . 1 . 1 104 104 ASP HB2 H 1 2.2100 0.01 . 2 . . . . . 104 ASP HB2 . 27925 1 1267 . 1 . 1 104 104 ASP HB3 H 1 2.4180 0.01 . 2 . . . . . 104 ASP HB3 . 27925 1 1268 . 1 . 1 104 104 ASP C C 13 174.2840 0.15 . 1 . . . . . 104 ASP C . 27925 1 1269 . 1 . 1 104 104 ASP CA C 13 53.9000 0.15 . 1 . . . . . 104 ASP CA . 27925 1 1270 . 1 . 1 104 104 ASP CB C 13 41.6000 0.15 . 1 . . . . . 104 ASP CB . 27925 1 1271 . 1 . 1 104 104 ASP N N 15 126.8100 0.1 . 1 . . . . . 104 ASP N . 27925 1 1272 . 1 . 1 105 105 GLU H H 1 8.5040 0.01 . 1 . . . . . 105 GLU H . 27925 1 1273 . 1 . 1 105 105 GLU HA H 1 4.0540 0.01 . 1 . . . . . 105 GLU HA . 27925 1 1274 . 1 . 1 105 105 GLU HB2 H 1 1.9590 0.01 . 2 . . . . . 105 GLU HB2 . 27925 1 1275 . 1 . 1 105 105 GLU HB3 H 1 1.9590 0.01 . 2 . . . . . 105 GLU HB3 . 27925 1 1276 . 1 . 1 105 105 GLU HG2 H 1 2.1620 0.01 . 2 . . . . . 105 GLU HG2 . 27925 1 1277 . 1 . 1 105 105 GLU HG3 H 1 2.1620 0.01 . 2 . . . . . 105 GLU HG3 . 27925 1 1278 . 1 . 1 105 105 GLU C C 13 175.0400 0.15 . 1 . . . . . 105 GLU C . 27925 1 1279 . 1 . 1 105 105 GLU CA C 13 56.9200 0.15 . 1 . . . . . 105 GLU CA . 27925 1 1280 . 1 . 1 105 105 GLU CB C 13 28.1800 0.15 . 1 . . . . . 105 GLU CB . 27925 1 1281 . 1 . 1 105 105 GLU CG C 13 36.7000 0.15 . 1 . . . . . 105 GLU CG . 27925 1 1282 . 1 . 1 105 105 GLU N N 15 117.2900 0.1 . 1 . . . . . 105 GLU N . 27925 1 1283 . 1 . 1 106 106 GLN H H 1 8.6550 0.01 . 1 . . . . . 106 GLN H . 27925 1 1284 . 1 . 1 106 106 GLN HA H 1 4.3620 0.01 . 1 . . . . . 106 GLN HA . 27925 1 1285 . 1 . 1 106 106 GLN HB2 H 1 2.0900 0.01 . 2 . . . . . 106 GLN HB2 . 27925 1 1286 . 1 . 1 106 106 GLN HB3 H 1 1.9800 0.01 . 2 . . . . . 106 GLN HB3 . 27925 1 1287 . 1 . 1 106 106 GLN HG2 H 1 2.2980 0.01 . 2 . . . . . 106 GLN HG2 . 27925 1 1288 . 1 . 1 106 106 GLN HG3 H 1 2.2470 0.01 . 2 . . . . . 106 GLN HG3 . 27925 1 1289 . 1 . 1 106 106 GLN HE21 H 1 6.9960 0.01 . 2 . . . . . 106 GLN HE21 . 27925 1 1290 . 1 . 1 106 106 GLN HE22 H 1 7.3470 0.01 . 2 . . . . . 106 GLN HE22 . 27925 1 1291 . 1 . 1 106 106 GLN C C 13 173.6090 0.15 . 1 . . . . . 106 GLN C . 27925 1 1292 . 1 . 1 106 106 GLN CA C 13 56.9600 0.15 . 1 . . . . . 106 GLN CA . 27925 1 1293 . 1 . 1 106 106 GLN CB C 13 30.4500 0.15 . 1 . . . . . 106 GLN CB . 27925 1 1294 . 1 . 1 106 106 GLN CG C 13 36.4100 0.15 . 1 . . . . . 106 GLN CG . 27925 1 1295 . 1 . 1 106 106 GLN N N 15 121.0500 0.1 . 1 . . . . . 106 GLN N . 27925 1 1296 . 1 . 1 106 106 GLN NE2 N 15 111.4540 0.1 . 1 . . . . . 106 GLN NE2 . 27925 1 1297 . 1 . 1 107 107 PRO HA H 1 4.4150 0.01 . 1 . . . . . 107 PRO HA . 27925 1 1298 . 1 . 1 107 107 PRO HB2 H 1 2.3280 0.01 . 2 . . . . . 107 PRO HB2 . 27925 1 1299 . 1 . 1 107 107 PRO HB3 H 1 1.8270 0.01 . 2 . . . . . 107 PRO HB3 . 27925 1 1300 . 1 . 1 107 107 PRO HG2 H 1 2.0010 0.01 . 2 . . . . . 107 PRO HG2 . 27925 1 1301 . 1 . 1 107 107 PRO HG3 H 1 1.9400 0.01 . 2 . . . . . 107 PRO HG3 . 27925 1 1302 . 1 . 1 107 107 PRO HD2 H 1 3.8040 0.01 . 2 . . . . . 107 PRO HD2 . 27925 1 1303 . 1 . 1 107 107 PRO HD3 H 1 3.7300 0.01 . 2 . . . . . 107 PRO HD3 . 27925 1 1304 . 1 . 1 107 107 PRO C C 13 175.5050 0.15 . 1 . . . . . 107 PRO C . 27925 1 1305 . 1 . 1 107 107 PRO CA C 13 62.5700 0.15 . 1 . . . . . 107 PRO CA . 27925 1 1306 . 1 . 1 107 107 PRO CB C 13 32.3800 0.15 . 1 . . . . . 107 PRO CB . 27925 1 1307 . 1 . 1 107 107 PRO CG C 13 27.3300 0.15 . 1 . . . . . 107 PRO CG . 27925 1 1308 . 1 . 1 107 107 PRO CD C 13 51.0700 0.15 . 1 . . . . . 107 PRO CD . 27925 1 1309 . 1 . 1 108 108 ARG H H 1 8.5660 0.01 . 1 . . . . . 108 ARG H . 27925 1 1310 . 1 . 1 108 108 ARG HA H 1 4.7270 0.01 . 1 . . . . . 108 ARG HA . 27925 1 1311 . 1 . 1 108 108 ARG HB2 H 1 1.8230 0.01 . 2 . . . . . 108 ARG HB2 . 27925 1 1312 . 1 . 1 108 108 ARG HB3 H 1 1.8230 0.01 . 2 . . . . . 108 ARG HB3 . 27925 1 1313 . 1 . 1 108 108 ARG HG2 H 1 1.6740 0.01 . 2 . . . . . 108 ARG HG2 . 27925 1 1314 . 1 . 1 108 108 ARG HG3 H 1 1.6740 0.01 . 2 . . . . . 108 ARG HG3 . 27925 1 1315 . 1 . 1 108 108 ARG HD2 H 1 3.1390 0.01 . 2 . . . . . 108 ARG HD2 . 27925 1 1316 . 1 . 1 108 108 ARG HD3 H 1 3.1390 0.01 . 2 . . . . . 108 ARG HD3 . 27925 1 1317 . 1 . 1 108 108 ARG C C 13 175.9760 0.15 . 1 . . . . . 108 ARG C . 27925 1 1318 . 1 . 1 108 108 ARG CA C 13 57.5100 0.15 . 1 . . . . . 108 ARG CA . 27925 1 1319 . 1 . 1 108 108 ARG CB C 13 30.3800 0.15 . 1 . . . . . 108 ARG CB . 27925 1 1320 . 1 . 1 108 108 ARG CG C 13 26.5000 0.15 . 1 . . . . . 108 ARG CG . 27925 1 1321 . 1 . 1 108 108 ARG CD C 13 42.0000 0.15 . 1 . . . . . 108 ARG CD . 27925 1 1322 . 1 . 1 108 108 ARG N N 15 124.0600 0.1 . 1 . . . . . 108 ARG N . 27925 1 1323 . 1 . 1 109 109 GLN H H 1 8.6390 0.01 . 1 . . . . . 109 GLN H . 27925 1 1324 . 1 . 1 109 109 GLN HA H 1 4.6900 0.01 . 1 . . . . . 109 GLN HA . 27925 1 1325 . 1 . 1 109 109 GLN HB2 H 1 1.8170 0.01 . 2 . . . . . 109 GLN HB2 . 27925 1 1326 . 1 . 1 109 109 GLN HB3 H 1 2.2580 0.01 . 2 . . . . . 109 GLN HB3 . 27925 1 1327 . 1 . 1 109 109 GLN HG2 H 1 2.0150 0.01 . 2 . . . . . 109 GLN HG2 . 27925 1 1328 . 1 . 1 109 109 GLN HG3 H 1 2.2920 0.01 . 2 . . . . . 109 GLN HG3 . 27925 1 1329 . 1 . 1 109 109 GLN C C 13 173.3060 0.15 . 1 . . . . . 109 GLN C . 27925 1 1330 . 1 . 1 109 109 GLN CA C 13 54.3500 0.15 . 1 . . . . . 109 GLN CA . 27925 1 1331 . 1 . 1 109 109 GLN CB C 13 29.9100 0.15 . 1 . . . . . 109 GLN CB . 27925 1 1332 . 1 . 1 109 109 GLN CG C 13 32.8700 0.15 . 1 . . . . . 109 GLN CG . 27925 1 1333 . 1 . 1 109 109 GLN N N 15 124.0300 0.1 . 1 . . . . . 109 GLN N . 27925 1 1334 . 1 . 1 110 110 ILE H H 1 8.7100 0.01 . 1 . . . . . 110 ILE H . 27925 1 1335 . 1 . 1 110 110 ILE HA H 1 3.3220 0.01 . 1 . . . . . 110 ILE HA . 27925 1 1336 . 1 . 1 110 110 ILE HB H 1 1.4860 0.01 . 1 . . . . . 110 ILE HB . 27925 1 1337 . 1 . 1 110 110 ILE HG12 H 1 1.2930 0.01 . 2 . . . . . 110 ILE HG12 . 27925 1 1338 . 1 . 1 110 110 ILE HG13 H 1 -0.0040 0.01 . 2 . . . . . 110 ILE HG13 . 27925 1 1339 . 1 . 1 110 110 ILE HG21 H 1 0.4020 0.01 . 1 . . . . . 110 ILE HG21 . 27925 1 1340 . 1 . 1 110 110 ILE HG22 H 1 0.4020 0.01 . 1 . . . . . 110 ILE HG21 . 27925 1 1341 . 1 . 1 110 110 ILE HG23 H 1 0.4020 0.01 . 1 . . . . . 110 ILE HG21 . 27925 1 1342 . 1 . 1 110 110 ILE HD11 H 1 0.7540 0.01 . 1 . . . . . 110 ILE HD11 . 27925 1 1343 . 1 . 1 110 110 ILE HD12 H 1 0.7540 0.01 . 1 . . . . . 110 ILE HD11 . 27925 1 1344 . 1 . 1 110 110 ILE HD13 H 1 0.7540 0.01 . 1 . . . . . 110 ILE HD11 . 27925 1 1345 . 1 . 1 110 110 ILE C C 13 174.6850 0.15 . 1 . . . . . 110 ILE C . 27925 1 1346 . 1 . 1 110 110 ILE CA C 13 62.5000 0.15 . 1 . . . . . 110 ILE CA . 27925 1 1347 . 1 . 1 110 110 ILE CB C 13 38.3400 0.15 . 1 . . . . . 110 ILE CB . 27925 1 1348 . 1 . 1 110 110 ILE CG1 C 13 29.6000 0.15 . 1 . . . . . 110 ILE CG1 . 27925 1 1349 . 1 . 1 110 110 ILE CG2 C 13 16.6000 0.15 . 1 . . . . . 110 ILE CG2 . 27925 1 1350 . 1 . 1 110 110 ILE CD1 C 13 13.4000 0.15 . 1 . . . . . 110 ILE CD1 . 27925 1 1351 . 1 . 1 110 110 ILE N N 15 123.8500 0.1 . 1 . . . . . 110 ILE N . 27925 1 1352 . 1 . 1 111 111 LEU H H 1 9.1080 0.01 . 1 . . . . . 111 LEU H . 27925 1 1353 . 1 . 1 111 111 LEU HA H 1 4.4320 0.01 . 1 . . . . . 111 LEU HA . 27925 1 1354 . 1 . 1 111 111 LEU C C 13 176.0560 0.15 . 1 . . . . . 111 LEU C . 27925 1 1355 . 1 . 1 111 111 LEU CA C 13 54.9800 0.15 . 1 . . . . . 111 LEU CA . 27925 1 1356 . 1 . 1 111 111 LEU CB C 13 43.0780 0.15 . 1 . . . . . 111 LEU CB . 27925 1 1357 . 1 . 1 111 111 LEU CG C 13 26.5990 0.15 . 1 . . . . . 111 LEU CG . 27925 1 1358 . 1 . 1 111 111 LEU N N 15 127.1800 0.1 . 1 . . . . . 111 LEU N . 27925 1 1359 . 1 . 1 112 112 LEU H H 1 6.9300 0.01 . 1 . . . . . 112 LEU H . 27925 1 1360 . 1 . 1 112 112 LEU HA H 1 4.8700 0.01 . 1 . . . . . 112 LEU HA . 27925 1 1361 . 1 . 1 112 112 LEU HB2 H 1 1.5840 0.01 . 2 . . . . . 112 LEU HB2 . 27925 1 1362 . 1 . 1 112 112 LEU HB3 H 1 1.5840 0.01 . 2 . . . . . 112 LEU HB3 . 27925 1 1363 . 1 . 1 112 112 LEU HG H 1 1.4090 0.01 . 1 . . . . . 112 LEU HG . 27925 1 1364 . 1 . 1 112 112 LEU HD11 H 1 0.7550 0.01 . 2 . . . . . 112 LEU HD11 . 27925 1 1365 . 1 . 1 112 112 LEU HD12 H 1 0.7550 0.01 . 2 . . . . . 112 LEU HD11 . 27925 1 1366 . 1 . 1 112 112 LEU HD13 H 1 0.7550 0.01 . 2 . . . . . 112 LEU HD11 . 27925 1 1367 . 1 . 1 112 112 LEU HD21 H 1 0.7550 0.01 . 2 . . . . . 112 LEU HD21 . 27925 1 1368 . 1 . 1 112 112 LEU HD22 H 1 0.7550 0.01 . 2 . . . . . 112 LEU HD21 . 27925 1 1369 . 1 . 1 112 112 LEU HD23 H 1 0.7550 0.01 . 2 . . . . . 112 LEU HD21 . 27925 1 1370 . 1 . 1 112 112 LEU C C 13 173.0030 0.15 . 1 . . . . . 112 LEU C . 27925 1 1371 . 1 . 1 112 112 LEU CA C 13 51.1300 0.15 . 1 . . . . . 112 LEU CA . 27925 1 1372 . 1 . 1 112 112 LEU CB C 13 45.2000 0.15 . 1 . . . . . 112 LEU CB . 27925 1 1373 . 1 . 1 112 112 LEU CG C 13 27.1300 0.15 . 1 . . . . . 112 LEU CG . 27925 1 1374 . 1 . 1 112 112 LEU CD1 C 13 24.0000 0.15 . 2 . . . . . 112 LEU CD1 . 27925 1 1375 . 1 . 1 112 112 LEU CD2 C 13 24.0000 0.15 . 2 . . . . . 112 LEU CD2 . 27925 1 1376 . 1 . 1 112 112 LEU N N 15 117.0800 0.1 . 1 . . . . . 112 LEU N . 27925 1 1377 . 1 . 1 113 113 PRO HA H 1 4.3560 0.01 . 1 . . . . . 113 PRO HA . 27925 1 1378 . 1 . 1 113 113 PRO HB2 H 1 2.2570 0.01 . 2 . . . . . 113 PRO HB2 . 27925 1 1379 . 1 . 1 113 113 PRO HB3 H 1 1.8020 0.01 . 2 . . . . . 113 PRO HB3 . 27925 1 1380 . 1 . 1 113 113 PRO HG2 H 1 1.8690 0.01 . 2 . . . . . 113 PRO HG2 . 27925 1 1381 . 1 . 1 113 113 PRO HG3 H 1 1.4200 0.01 . 2 . . . . . 113 PRO HG3 . 27925 1 1382 . 1 . 1 113 113 PRO HD2 H 1 3.3960 0.01 . 2 . . . . . 113 PRO HD2 . 27925 1 1383 . 1 . 1 113 113 PRO HD3 H 1 3.3960 0.01 . 2 . . . . . 113 PRO HD3 . 27925 1 1384 . 1 . 1 113 113 PRO C C 13 174.8870 0.15 . 1 . . . . . 113 PRO C . 27925 1 1385 . 1 . 1 113 113 PRO CA C 13 62.2800 0.15 . 1 . . . . . 113 PRO CA . 27925 1 1386 . 1 . 1 113 113 PRO CB C 13 32.3000 0.15 . 1 . . . . . 113 PRO CB . 27925 1 1387 . 1 . 1 113 113 PRO CG C 13 27.3000 0.15 . 1 . . . . . 113 PRO CG . 27925 1 1388 . 1 . 1 113 113 PRO CD C 13 50.1900 0.15 . 1 . . . . . 113 PRO CD . 27925 1 1389 . 1 . 1 114 114 VAL H H 1 7.9830 0.01 . 1 . . . . . 114 VAL H . 27925 1 1390 . 1 . 1 114 114 VAL HA H 1 3.2180 0.01 . 1 . . . . . 114 VAL HA . 27925 1 1391 . 1 . 1 114 114 VAL HB H 1 1.7400 0.01 . 1 . . . . . 114 VAL HB . 27925 1 1392 . 1 . 1 114 114 VAL HG11 H 1 0.7890 0.01 . 2 . . . . . 114 VAL HG11 . 27925 1 1393 . 1 . 1 114 114 VAL HG12 H 1 0.7890 0.01 . 2 . . . . . 114 VAL HG11 . 27925 1 1394 . 1 . 1 114 114 VAL HG13 H 1 0.7890 0.01 . 2 . . . . . 114 VAL HG11 . 27925 1 1395 . 1 . 1 114 114 VAL HG21 H 1 0.7890 0.01 . 2 . . . . . 114 VAL HG21 . 27925 1 1396 . 1 . 1 114 114 VAL HG22 H 1 0.7890 0.01 . 2 . . . . . 114 VAL HG21 . 27925 1 1397 . 1 . 1 114 114 VAL HG23 H 1 0.7890 0.01 . 2 . . . . . 114 VAL HG21 . 27925 1 1398 . 1 . 1 114 114 VAL C C 13 174.5320 0.15 . 1 . . . . . 114 VAL C . 27925 1 1399 . 1 . 1 114 114 VAL CA C 13 64.2000 0.15 . 1 . . . . . 114 VAL CA . 27925 1 1400 . 1 . 1 114 114 VAL CB C 13 31.7500 0.15 . 1 . . . . . 114 VAL CB . 27925 1 1401 . 1 . 1 114 114 VAL CG1 C 13 21.3000 0.15 . 2 . . . . . 114 VAL CG1 . 27925 1 1402 . 1 . 1 114 114 VAL CG2 C 13 21.3000 0.15 . 2 . . . . . 114 VAL CG2 . 27925 1 1403 . 1 . 1 114 114 VAL N N 15 120.8900 0.1 . 1 . . . . . 114 VAL N . 27925 1 1404 . 1 . 1 115 115 GLY H H 1 8.0100 0.01 . 1 . . . . . 115 GLY H . 27925 1 1405 . 1 . 1 115 115 GLY HA2 H 1 3.5420 0.01 . 2 . . . . . 115 GLY HA2 . 27925 1 1406 . 1 . 1 115 115 GLY HA3 H 1 4.2380 0.01 . 2 . . . . . 115 GLY HA3 . 27925 1 1407 . 1 . 1 115 115 GLY C C 13 173.5390 0.15 . 1 . . . . . 115 GLY C . 27925 1 1408 . 1 . 1 115 115 GLY CA C 13 44.7900 0.15 . 1 . . . . . 115 GLY CA . 27925 1 1409 . 1 . 1 115 115 GLY N N 15 115.1800 0.1 . 1 . . . . . 115 GLY N . 27925 1 1410 . 1 . 1 116 116 THR H H 1 7.8040 0.01 . 1 . . . . . 116 THR H . 27925 1 1411 . 1 . 1 116 116 THR HA H 1 4.0430 0.01 . 1 . . . . . 116 THR HA . 27925 1 1412 . 1 . 1 116 116 THR HB H 1 4.1100 0.01 . 1 . . . . . 116 THR HB . 27925 1 1413 . 1 . 1 116 116 THR HG21 H 1 1.3230 0.01 . 1 . . . . . 116 THR HG21 . 27925 1 1414 . 1 . 1 116 116 THR HG22 H 1 1.3230 0.01 . 1 . . . . . 116 THR HG21 . 27925 1 1415 . 1 . 1 116 116 THR HG23 H 1 1.3230 0.01 . 1 . . . . . 116 THR HG21 . 27925 1 1416 . 1 . 1 116 116 THR C C 13 172.5180 0.15 . 1 . . . . . 116 THR C . 27925 1 1417 . 1 . 1 116 116 THR CA C 13 66.2000 0.15 . 1 . . . . . 116 THR CA . 27925 1 1418 . 1 . 1 116 116 THR CB C 13 68.8800 0.15 . 1 . . . . . 116 THR CB . 27925 1 1419 . 1 . 1 116 116 THR CG2 C 13 21.4000 0.15 . 1 . . . . . 116 THR CG2 . 27925 1 1420 . 1 . 1 116 116 THR N N 15 121.2800 0.1 . 1 . . . . . 116 THR N . 27925 1 1421 . 1 . 1 117 117 VAL H H 1 9.0450 0.01 . 1 . . . . . 117 VAL H . 27925 1 1422 . 1 . 1 117 117 VAL HA H 1 4.5360 0.01 . 1 . . . . . 117 VAL HA . 27925 1 1423 . 1 . 1 117 117 VAL HB H 1 1.8320 0.01 . 1 . . . . . 117 VAL HB . 27925 1 1424 . 1 . 1 117 117 VAL HG11 H 1 0.9130 0.01 . 2 . . . . . 117 VAL HG11 . 27925 1 1425 . 1 . 1 117 117 VAL HG12 H 1 0.9130 0.01 . 2 . . . . . 117 VAL HG11 . 27925 1 1426 . 1 . 1 117 117 VAL HG13 H 1 0.9130 0.01 . 2 . . . . . 117 VAL HG11 . 27925 1 1427 . 1 . 1 117 117 VAL HG21 H 1 0.9900 0.01 . 2 . . . . . 117 VAL HG21 . 27925 1 1428 . 1 . 1 117 117 VAL HG22 H 1 0.9900 0.01 . 2 . . . . . 117 VAL HG21 . 27925 1 1429 . 1 . 1 117 117 VAL HG23 H 1 0.9900 0.01 . 2 . . . . . 117 VAL HG21 . 27925 1 1430 . 1 . 1 117 117 VAL C C 13 175.1420 0.15 . 1 . . . . . 117 VAL C . 27925 1 1431 . 1 . 1 117 117 VAL CA C 13 62.8000 0.15 . 1 . . . . . 117 VAL CA . 27925 1 1432 . 1 . 1 117 117 VAL CB C 13 32.5400 0.15 . 1 . . . . . 117 VAL CB . 27925 1 1433 . 1 . 1 117 117 VAL CG1 C 13 22.3600 0.15 . 2 . . . . . 117 VAL CG1 . 27925 1 1434 . 1 . 1 117 117 VAL CG2 C 13 22.6000 0.15 . 2 . . . . . 117 VAL CG2 . 27925 1 1435 . 1 . 1 117 117 VAL N N 15 130.5400 0.1 . 1 . . . . . 117 VAL N . 27925 1 1436 . 1 . 1 118 118 CYS H H 1 8.8010 0.01 . 1 . . . . . 118 CYS H . 27925 1 1437 . 1 . 1 118 118 CYS HA H 1 5.3050 0.01 . 1 . . . . . 118 CYS HA . 27925 1 1438 . 1 . 1 118 118 CYS HB2 H 1 2.6810 0.01 . 2 . . . . . 118 CYS HB2 . 27925 1 1439 . 1 . 1 118 118 CYS HB3 H 1 2.7270 0.01 . 2 . . . . . 118 CYS HB3 . 27925 1 1440 . 1 . 1 118 118 CYS HG H 1 3.2140 0.01 . 1 . . . . . 118 CYS HG . 27925 1 1441 . 1 . 1 118 118 CYS C C 13 173.7890 0.15 . 1 . . . . . 118 CYS C . 27925 1 1442 . 1 . 1 118 118 CYS CA C 13 56.5500 0.15 . 1 . . . . . 118 CYS CA . 27925 1 1443 . 1 . 1 118 118 CYS CB C 13 29.9400 0.15 . 1 . . . . . 118 CYS CB . 27925 1 1444 . 1 . 1 118 118 CYS N N 15 125.7300 0.1 . 1 . . . . . 118 CYS N . 27925 1 1445 . 1 . 1 119 119 THR H H 1 9.4390 0.01 . 1 . . . . . 119 THR H . 27925 1 1446 . 1 . 1 119 119 THR HA H 1 4.6500 0.01 . 1 . . . . . 119 THR HA . 27925 1 1447 . 1 . 1 119 119 THR HB H 1 3.9700 0.01 . 1 . . . . . 119 THR HB . 27925 1 1448 . 1 . 1 119 119 THR HG21 H 1 1.2000 0.01 . 1 . . . . . 119 THR HG21 . 27925 1 1449 . 1 . 1 119 119 THR HG22 H 1 1.2000 0.01 . 1 . . . . . 119 THR HG21 . 27925 1 1450 . 1 . 1 119 119 THR HG23 H 1 1.2000 0.01 . 1 . . . . . 119 THR HG21 . 27925 1 1451 . 1 . 1 119 119 THR C C 13 172.7650 0.15 . 1 . . . . . 119 THR C . 27925 1 1452 . 1 . 1 119 119 THR CA C 13 61.3000 0.15 . 1 . . . . . 119 THR CA . 27925 1 1453 . 1 . 1 119 119 THR CB C 13 71.2000 0.15 . 1 . . . . . 119 THR CB . 27925 1 1454 . 1 . 1 119 119 THR CG2 C 13 21.3800 0.15 . 1 . . . . . 119 THR CG2 . 27925 1 1455 . 1 . 1 119 119 THR N N 15 120.0200 0.1 . 1 . . . . . 119 THR N . 27925 1 1456 . 1 . 1 120 120 ARG H H 1 9.4400 0.01 . 1 . . . . . 120 ARG H . 27925 1 1457 . 1 . 1 120 120 ARG HA H 1 4.0480 0.01 . 1 . . . . . 120 ARG HA . 27925 1 1458 . 1 . 1 120 120 ARG HB2 H 1 1.9610 0.01 . 2 . . . . . 120 ARG HB2 . 27925 1 1459 . 1 . 1 120 120 ARG HB3 H 1 1.9610 0.01 . 2 . . . . . 120 ARG HB3 . 27925 1 1460 . 1 . 1 120 120 ARG HG2 H 1 1.4240 0.01 . 2 . . . . . 120 ARG HG2 . 27925 1 1461 . 1 . 1 120 120 ARG HG3 H 1 1.4240 0.01 . 2 . . . . . 120 ARG HG3 . 27925 1 1462 . 1 . 1 120 120 ARG HD2 H 1 3.0650 0.01 . 2 . . . . . 120 ARG HD2 . 27925 1 1463 . 1 . 1 120 120 ARG HD3 H 1 3.0650 0.01 . 2 . . . . . 120 ARG HD3 . 27925 1 1464 . 1 . 1 120 120 ARG C C 13 176.4690 0.15 . 1 . . . . . 120 ARG C . 27925 1 1465 . 1 . 1 120 120 ARG CA C 13 57.0100 0.15 . 1 . . . . . 120 ARG CA . 27925 1 1466 . 1 . 1 120 120 ARG CB C 13 29.9000 0.15 . 1 . . . . . 120 ARG CB . 27925 1 1467 . 1 . 1 120 120 ARG CG C 13 27.0000 0.15 . 1 . . . . . 120 ARG CG . 27925 1 1468 . 1 . 1 120 120 ARG CD C 13 43.2300 0.15 . 1 . . . . . 120 ARG CD . 27925 1 1469 . 1 . 1 120 120 ARG N N 15 131.1500 0.1 . 1 . . . . . 120 ARG N . 27925 1 1470 . 1 . 1 121 121 VAL H H 1 8.5720 0.01 . 1 . . . . . 121 VAL H . 27925 1 1471 . 1 . 1 121 121 VAL HA H 1 4.5640 0.01 . 1 . . . . . 121 VAL HA . 27925 1 1472 . 1 . 1 121 121 VAL HB H 1 2.1340 0.01 . 1 . . . . . 121 VAL HB . 27925 1 1473 . 1 . 1 121 121 VAL HG11 H 1 -0.1040 0.01 . 2 . . . . . 121 VAL HG11 . 27925 1 1474 . 1 . 1 121 121 VAL HG12 H 1 -0.1040 0.01 . 2 . . . . . 121 VAL HG11 . 27925 1 1475 . 1 . 1 121 121 VAL HG13 H 1 -0.1040 0.01 . 2 . . . . . 121 VAL HG11 . 27925 1 1476 . 1 . 1 121 121 VAL HG21 H 1 0.8420 0.01 . 2 . . . . . 121 VAL HG21 . 27925 1 1477 . 1 . 1 121 121 VAL HG22 H 1 0.8420 0.01 . 2 . . . . . 121 VAL HG21 . 27925 1 1478 . 1 . 1 121 121 VAL HG23 H 1 0.8420 0.01 . 2 . . . . . 121 VAL HG21 . 27925 1 1479 . 1 . 1 121 121 VAL C C 13 175.1220 0.15 . 1 . . . . . 121 VAL C . 27925 1 1480 . 1 . 1 121 121 VAL CA C 13 61.0200 0.15 . 1 . . . . . 121 VAL CA . 27925 1 1481 . 1 . 1 121 121 VAL CB C 13 33.8200 0.15 . 1 . . . . . 121 VAL CB . 27925 1 1482 . 1 . 1 121 121 VAL CG1 C 13 17.7000 0.15 . 2 . . . . . 121 VAL CG1 . 27925 1 1483 . 1 . 1 121 121 VAL CG2 C 13 22.0400 0.15 . 2 . . . . . 121 VAL CG2 . 27925 1 1484 . 1 . 1 121 121 VAL N N 15 117.0200 0.1 . 1 . . . . . 121 VAL N . 27925 1 1485 . 1 . 1 122 122 ASP H H 1 8.4080 0.01 . 1 . . . . . 122 ASP H . 27925 1 1486 . 1 . 1 122 122 ASP HA H 1 4.4540 0.01 . 1 . . . . . 122 ASP HA . 27925 1 1487 . 1 . 1 122 122 ASP HB2 H 1 2.7710 0.01 . 2 . . . . . 122 ASP HB2 . 27925 1 1488 . 1 . 1 122 122 ASP HB3 H 1 2.6420 0.01 . 2 . . . . . 122 ASP HB3 . 27925 1 1489 . 1 . 1 122 122 ASP C C 13 174.0400 0.15 . 1 . . . . . 122 ASP C . 27925 1 1490 . 1 . 1 122 122 ASP CA C 13 54.8000 0.15 . 1 . . . . . 122 ASP CA . 27925 1 1491 . 1 . 1 122 122 ASP CB C 13 40.5200 0.15 . 1 . . . . . 122 ASP CB . 27925 1 1492 . 1 . 1 122 122 ASP N N 15 119.8500 0.1 . 1 . . . . . 122 ASP N . 27925 1 1493 . 1 . 1 123 123 SER H H 1 7.7050 0.01 . 1 . . . . . 123 SER H . 27925 1 1494 . 1 . 1 123 123 SER HA H 1 4.4690 0.01 . 1 . . . . . 123 SER HA . 27925 1 1495 . 1 . 1 123 123 SER HB2 H 1 3.6240 0.01 . 2 . . . . . 123 SER HB2 . 27925 1 1496 . 1 . 1 123 123 SER HB3 H 1 3.8070 0.01 . 2 . . . . . 123 SER HB3 . 27925 1 1497 . 1 . 1 123 123 SER C C 13 173.0450 0.15 . 1 . . . . . 123 SER C . 27925 1 1498 . 1 . 1 123 123 SER CA C 13 57.4700 0.15 . 1 . . . . . 123 SER CA . 27925 1 1499 . 1 . 1 123 123 SER CB C 13 64.2300 0.15 . 1 . . . . . 123 SER CB . 27925 1 1500 . 1 . 1 123 123 SER N N 15 113.0800 0.1 . 1 . . . . . 123 SER N . 27925 1 1501 . 1 . 1 124 124 GLU H H 1 8.3860 0.01 . 1 . . . . . 124 GLU H . 27925 1 1502 . 1 . 1 124 124 GLU HA H 1 4.3090 0.01 . 1 . . . . . 124 GLU HA . 27925 1 1503 . 1 . 1 124 124 GLU HB2 H 1 1.9630 0.01 . 2 . . . . . 124 GLU HB2 . 27925 1 1504 . 1 . 1 124 124 GLU HB3 H 1 2.0880 0.01 . 2 . . . . . 124 GLU HB3 . 27925 1 1505 . 1 . 1 124 124 GLU HG2 H 1 2.2480 0.01 . 2 . . . . . 124 GLU HG2 . 27925 1 1506 . 1 . 1 124 124 GLU HG3 H 1 2.3010 0.01 . 2 . . . . . 124 GLU HG3 . 27925 1 1507 . 1 . 1 124 124 GLU C C 13 174.5350 0.15 . 1 . . . . . 124 GLU C . 27925 1 1508 . 1 . 1 124 124 GLU CA C 13 56.8900 0.15 . 1 . . . . . 124 GLU CA . 27925 1 1509 . 1 . 1 124 124 GLU CB C 13 30.3600 0.15 . 1 . . . . . 124 GLU CB . 27925 1 1510 . 1 . 1 124 124 GLU CG C 13 36.3800 0.15 . 1 . . . . . 124 GLU CG . 27925 1 1511 . 1 . 1 124 124 GLU N N 15 122.6100 0.1 . 1 . . . . . 124 GLU N . 27925 1 1512 . 1 . 1 125 125 ASN H H 1 8.0820 0.01 . 1 . . . . . 125 ASN H . 27925 1 1513 . 1 . 1 125 125 ASN HA H 1 4.4550 0.01 . 1 . . . . . 125 ASN HA . 27925 1 1514 . 1 . 1 125 125 ASN HB2 H 1 2.6410 0.01 . 2 . . . . . 125 ASN HB2 . 27925 1 1515 . 1 . 1 125 125 ASN HB3 H 1 2.7720 0.01 . 2 . . . . . 125 ASN HB3 . 27925 1 1516 . 1 . 1 125 125 ASN HD21 H 1 6.8330 0.01 . 2 . . . . . 125 ASN HD21 . 27925 1 1517 . 1 . 1 125 125 ASN HD22 H 1 7.5410 0.01 . 2 . . . . . 125 ASN HD22 . 27925 1 1518 . 1 . 1 125 125 ASN C C 13 178.5750 0.15 . 1 . . . . . 125 ASN C . 27925 1 1519 . 1 . 1 125 125 ASN CA C 13 55.0400 0.15 . 1 . . . . . 125 ASN CA . 27925 1 1520 . 1 . 1 125 125 ASN CB C 13 40.5000 0.15 . 1 . . . . . 125 ASN CB . 27925 1 1521 . 1 . 1 125 125 ASN N N 15 124.3500 0.1 . 1 . . . . . 125 ASN N . 27925 1 1522 . 1 . 1 125 125 ASN ND2 N 15 113.1850 0.1 . 1 . . . . . 125 ASN ND2 . 27925 1 stop_ save_