data_51355 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51355 _Entry.Title ; Backbone and side-chain NMR assignment of the human TRPV3 ion channel N-terminal intrinsically disordered region ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-03-09 _Entry.Accession_date 2022-03-09 _Entry.Last_release_date 2022-03-09 _Entry.Original_release_date 2022-03-09 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Christoph Wiedemann . . . . 51355 2 Benedikt Goretzki . . . . 51355 3 Zoe Merz . . . . 51355 4 Pauline Schmitt . . . . 51355 5 Frederike Tebbe . . . . 51355 6 Ute Hellmich . A. . . 51355 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51355 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 458 51355 '15N chemical shifts' 99 51355 '1H chemical shifts' 620 51355 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 . . 2022-10-21 2022-03-09 update BMRB 'update entry citation' 51355 1 . . 2022-06-06 2022-03-09 original author 'original release' 51355 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51353 'human TRPV1 ion channel N-terminal intrinsically disordered region' 51355 BMRB 51354 'human TRPV2 ion channel N-terminal intrinsically disordered region' 51355 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51355 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35666427 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Extent of intrinsic disorder and NMR chemical shift assignments of the distal N-termini from human TRPV1, TRPV2 and TRPV3 ion channels ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 16 _Citation.Journal_issue 2 _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 289 _Citation.Page_last 296 _Citation.Year 2022 _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 Christoph Wiedemann . . . . 51355 1 2 Benedikt Goretzki . . . . 51355 1 3 Zoe Merz . . . . 51355 1 4 Frederike Tebbe . . . . 51355 1 5 Pauline Schmitt . . . . 51355 1 6 Ute Hellmich . A. . . 51355 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51355 _Assembly.ID 1 _Assembly.Name hsTRPV3-IDR _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 hsTRPV3-IDR 1 $entity_1 . . yes native no no . . . 51355 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51355 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; KAHPKEMVPLMGKRVAAPSG NPAILPEKRPAEITPTKKSA HFFLEIEGFEPNPTVAKTSP PVFSKPMDSNIRQCISGNCD DMDSPQSPQDDVTETPSNPN SPSAQLAKEEQRRKKRRL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 118 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP Q8NET8-1 . 'Transient receptor potential cation channel subfamily V member 3' . . . . . . . . . . . . . . 51355 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 2 LYS . 51355 1 2 3 ALA . 51355 1 3 4 HIS . 51355 1 4 5 PRO . 51355 1 5 6 LYS . 51355 1 6 7 GLU . 51355 1 7 8 MET . 51355 1 8 9 VAL . 51355 1 9 10 PRO . 51355 1 10 11 LEU . 51355 1 11 12 MET . 51355 1 12 13 GLY . 51355 1 13 14 LYS . 51355 1 14 15 ARG . 51355 1 15 16 VAL . 51355 1 16 17 ALA . 51355 1 17 18 ALA . 51355 1 18 19 PRO . 51355 1 19 20 SER . 51355 1 20 21 GLY . 51355 1 21 22 ASN . 51355 1 22 23 PRO . 51355 1 23 24 ALA . 51355 1 24 25 ILE . 51355 1 25 26 LEU . 51355 1 26 27 PRO . 51355 1 27 28 GLU . 51355 1 28 29 LYS . 51355 1 29 30 ARG . 51355 1 30 31 PRO . 51355 1 31 32 ALA . 51355 1 32 33 GLU . 51355 1 33 34 ILE . 51355 1 34 35 THR . 51355 1 35 36 PRO . 51355 1 36 37 THR . 51355 1 37 38 LYS . 51355 1 38 39 LYS . 51355 1 39 40 SER . 51355 1 40 41 ALA . 51355 1 41 42 HIS . 51355 1 42 43 PHE . 51355 1 43 44 PHE . 51355 1 44 45 LEU . 51355 1 45 46 GLU . 51355 1 46 47 ILE . 51355 1 47 48 GLU . 51355 1 48 49 GLY . 51355 1 49 50 PHE . 51355 1 50 51 GLU . 51355 1 51 52 PRO . 51355 1 52 53 ASN . 51355 1 53 54 PRO . 51355 1 54 55 THR . 51355 1 55 56 VAL . 51355 1 56 57 ALA . 51355 1 57 58 LYS . 51355 1 58 59 THR . 51355 1 59 60 SER . 51355 1 60 61 PRO . 51355 1 61 62 PRO . 51355 1 62 63 VAL . 51355 1 63 64 PHE . 51355 1 64 65 SER . 51355 1 65 66 LYS . 51355 1 66 67 PRO . 51355 1 67 68 MET . 51355 1 68 69 ASP . 51355 1 69 70 SER . 51355 1 70 71 ASN . 51355 1 71 72 ILE . 51355 1 72 73 ARG . 51355 1 73 74 GLN . 51355 1 74 75 CYS . 51355 1 75 76 ILE . 51355 1 76 77 SER . 51355 1 77 78 GLY . 51355 1 78 79 ASN . 51355 1 79 80 CYS . 51355 1 80 81 ASP . 51355 1 81 82 ASP . 51355 1 82 83 MET . 51355 1 83 84 ASP . 51355 1 84 85 SER . 51355 1 85 86 PRO . 51355 1 86 87 GLN . 51355 1 87 88 SER . 51355 1 88 89 PRO . 51355 1 89 90 GLN . 51355 1 90 91 ASP . 51355 1 91 92 ASP . 51355 1 92 93 VAL . 51355 1 93 94 THR . 51355 1 94 95 GLU . 51355 1 95 96 THR . 51355 1 96 97 PRO . 51355 1 97 98 SER . 51355 1 98 99 ASN . 51355 1 99 100 PRO . 51355 1 100 101 ASN . 51355 1 101 102 SER . 51355 1 102 103 PRO . 51355 1 103 104 SER . 51355 1 104 105 ALA . 51355 1 105 106 GLN . 51355 1 106 107 LEU . 51355 1 107 108 ALA . 51355 1 108 109 LYS . 51355 1 109 110 GLU . 51355 1 110 111 GLU . 51355 1 111 112 GLN . 51355 1 112 113 ARG . 51355 1 113 114 ARG . 51355 1 114 115 LYS . 51355 1 115 116 LYS . 51355 1 116 117 ARG . 51355 1 117 118 ARG . 51355 1 118 119 LEU . 51355 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 . LYS 1 1 51355 1 . ALA 2 2 51355 1 . HIS 3 3 51355 1 . PRO 4 4 51355 1 . LYS 5 5 51355 1 . GLU 6 6 51355 1 . MET 7 7 51355 1 . VAL 8 8 51355 1 . PRO 9 9 51355 1 . LEU 10 10 51355 1 . MET 11 11 51355 1 . GLY 12 12 51355 1 . LYS 13 13 51355 1 . ARG 14 14 51355 1 . VAL 15 15 51355 1 . ALA 16 16 51355 1 . ALA 17 17 51355 1 . PRO 18 18 51355 1 . SER 19 19 51355 1 . GLY 20 20 51355 1 . ASN 21 21 51355 1 . PRO 22 22 51355 1 . ALA 23 23 51355 1 . ILE 24 24 51355 1 . LEU 25 25 51355 1 . PRO 26 26 51355 1 . GLU 27 27 51355 1 . LYS 28 28 51355 1 . ARG 29 29 51355 1 . PRO 30 30 51355 1 . ALA 31 31 51355 1 . GLU 32 32 51355 1 . ILE 33 33 51355 1 . THR 34 34 51355 1 . PRO 35 35 51355 1 . THR 36 36 51355 1 . LYS 37 37 51355 1 . LYS 38 38 51355 1 . SER 39 39 51355 1 . ALA 40 40 51355 1 . HIS 41 41 51355 1 . PHE 42 42 51355 1 . PHE 43 43 51355 1 . LEU 44 44 51355 1 . GLU 45 45 51355 1 . ILE 46 46 51355 1 . GLU 47 47 51355 1 . GLY 48 48 51355 1 . PHE 49 49 51355 1 . GLU 50 50 51355 1 . PRO 51 51 51355 1 . ASN 52 52 51355 1 . PRO 53 53 51355 1 . THR 54 54 51355 1 . VAL 55 55 51355 1 . ALA 56 56 51355 1 . LYS 57 57 51355 1 . THR 58 58 51355 1 . SER 59 59 51355 1 . PRO 60 60 51355 1 . PRO 61 61 51355 1 . VAL 62 62 51355 1 . PHE 63 63 51355 1 . SER 64 64 51355 1 . LYS 65 65 51355 1 . PRO 66 66 51355 1 . MET 67 67 51355 1 . ASP 68 68 51355 1 . SER 69 69 51355 1 . ASN 70 70 51355 1 . ILE 71 71 51355 1 . ARG 72 72 51355 1 . GLN 73 73 51355 1 . CYS 74 74 51355 1 . ILE 75 75 51355 1 . SER 76 76 51355 1 . GLY 77 77 51355 1 . ASN 78 78 51355 1 . CYS 79 79 51355 1 . ASP 80 80 51355 1 . ASP 81 81 51355 1 . MET 82 82 51355 1 . ASP 83 83 51355 1 . SER 84 84 51355 1 . PRO 85 85 51355 1 . GLN 86 86 51355 1 . SER 87 87 51355 1 . PRO 88 88 51355 1 . GLN 89 89 51355 1 . ASP 90 90 51355 1 . ASP 91 91 51355 1 . VAL 92 92 51355 1 . THR 93 93 51355 1 . GLU 94 94 51355 1 . THR 95 95 51355 1 . PRO 96 96 51355 1 . SER 97 97 51355 1 . ASN 98 98 51355 1 . PRO 99 99 51355 1 . ASN 100 100 51355 1 . SER 101 101 51355 1 . PRO 102 102 51355 1 . SER 103 103 51355 1 . ALA 104 104 51355 1 . GLN 105 105 51355 1 . LEU 106 106 51355 1 . ALA 107 107 51355 1 . LYS 108 108 51355 1 . GLU 109 109 51355 1 . GLU 110 110 51355 1 . GLN 111 111 51355 1 . ARG 112 112 51355 1 . ARG 113 113 51355 1 . LYS 114 114 51355 1 . LYS 115 115 51355 1 . ARG 116 116 51355 1 . ARG 117 117 51355 1 . LEU 118 118 51355 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51355 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 51355 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51355 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET11a . . . 51355 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51355 _Sample.ID 1 _Sample.Name hsTRPV3-IDR _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 hsTRPV3-IDR '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 300 . . uM . . . . 51355 1 2 D2O '[U-99% 2H]' . . . . . . 10 . . % . . . . 51355 1 3 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 51355 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 51355 1 5 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 51355 1 6 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 51355 1 7 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 51355 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 51355 _Sample_condition_list.ID 1 _Sample_condition_list.Name hsTRPV3-IDR _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' 0.31 . M 51355 1 pH 6.2 . pH 51355 1 pressure 1 . atm 51355 1 temperature 298 . K 51355 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51355 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51355 1 processing . 51355 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51355 _Software.ID 2 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 51355 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51355 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance III HD 600' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51355 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N TROSY' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51355 1 2 '3D HNCO' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51355 1 3 '3D HN(CA)CO' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51355 1 4 '3D HNCA' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51355 1 5 '3D HNCACB' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51355 1 6 '3D (H)CC(CO)NH' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51355 1 7 '3D 1H-15N TOCSY' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51355 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 51355 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name hsTRPV3-IDR _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 . . . . . 51355 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 51355 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 51355 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51355 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name hsTRPV3-IDR _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N TROSY' . . . 51355 1 2 '3D HNCO' . . . 51355 1 3 '3D HN(CA)CO' . . . 51355 1 4 '3D HNCA' . . . 51355 1 5 '3D HNCACB' . . . 51355 1 6 '3D (H)CC(CO)NH' . . . 51355 1 7 '3D 1H-15N TOCSY' . . . 51355 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51355 1 2 $software_2 . . 51355 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 ALA C C 13 177.121 0.000 . 1 . . . . . 3 ALA C . 51355 1 2 . 1 . 1 2 2 ALA CA C 13 52.455 0.000 . 1 . . . . . 3 ALA CA . 51355 1 3 . 1 . 1 2 2 ALA CB C 13 19.489 0.000 . 1 . . . . . 3 ALA CB . 51355 1 4 . 1 . 1 3 3 HIS H H 1 8.620 0.004 . 1 . . . . . 4 HIS H . 51355 1 5 . 1 . 1 3 3 HIS HB2 H 1 3.147 0.000 . 1 . . . . . 4 HIS HB2 . 51355 1 6 . 1 . 1 3 3 HIS HB3 H 1 3.147 0.000 . 1 . . . . . 4 HIS HB3 . 51355 1 7 . 1 . 1 3 3 HIS CA C 13 53.976 0.000 . 1 . . . . . 4 HIS CA . 51355 1 8 . 1 . 1 3 3 HIS N N 15 120.305 0.033 . 1 . . . . . 4 HIS N . 51355 1 9 . 1 . 1 4 4 PRO C C 13 177.078 0.000 . 1 . . . . . 5 PRO C . 51355 1 10 . 1 . 1 4 4 PRO CA C 13 63.509 0.000 . 1 . . . . . 5 PRO CA . 51355 1 11 . 1 . 1 4 4 PRO CB C 13 32.310 0.000 . 1 . . . . . 5 PRO CB . 51355 1 12 . 1 . 1 4 4 PRO CG C 13 27.524 0.000 . 1 . . . . . 5 PRO CG . 51355 1 13 . 1 . 1 4 4 PRO CD C 13 50.930 0.000 . 1 . . . . . 5 PRO CD . 51355 1 14 . 1 . 1 5 5 LYS H H 1 8.673 0.004 . 1 . . . . . 6 LYS H . 51355 1 15 . 1 . 1 5 5 LYS HA H 1 4.286 0.000 . 1 . . . . . 6 LYS HA . 51355 1 16 . 1 . 1 5 5 LYS HB2 H 1 1.842 0.000 . 1 . . . . . 6 LYS HB2 . 51355 1 17 . 1 . 1 5 5 LYS HB3 H 1 1.842 0.000 . 1 . . . . . 6 LYS HB3 . 51355 1 18 . 1 . 1 5 5 LYS HG2 H 1 1.434 0.000 . 1 . . . . . 6 LYS HG2 . 51355 1 19 . 1 . 1 5 5 LYS HG3 H 1 1.434 0.000 . 1 . . . . . 6 LYS HG3 . 51355 1 20 . 1 . 1 5 5 LYS HD2 H 1 1.712 0.000 . 1 . . . . . 6 LYS HD2 . 51355 1 21 . 1 . 1 5 5 LYS HD3 H 1 1.712 0.000 . 1 . . . . . 6 LYS HD3 . 51355 1 22 . 1 . 1 5 5 LYS HE2 H 1 2.946 0.000 . 1 . . . . . 6 LYS HE2 . 51355 1 23 . 1 . 1 5 5 LYS HE3 H 1 2.946 0.000 . 1 . . . . . 6 LYS HE3 . 51355 1 24 . 1 . 1 5 5 LYS C C 13 176.780 0.029 . 1 . . . . . 6 LYS C . 51355 1 25 . 1 . 1 5 5 LYS CA C 13 56.819 0.024 . 1 . . . . . 6 LYS CA . 51355 1 26 . 1 . 1 5 5 LYS CB C 13 32.971 0.047 . 1 . . . . . 6 LYS CB . 51355 1 27 . 1 . 1 5 5 LYS CG C 13 25.170 0.000 . 1 . . . . . 6 LYS CG . 51355 1 28 . 1 . 1 5 5 LYS CD C 13 29.182 0.000 . 1 . . . . . 6 LYS CD . 51355 1 29 . 1 . 1 5 5 LYS CE C 13 42.231 0.000 . 1 . . . . . 6 LYS CE . 51355 1 30 . 1 . 1 5 5 LYS N N 15 121.799 0.023 . 1 . . . . . 6 LYS N . 51355 1 31 . 1 . 1 6 6 GLU H H 1 8.484 0.003 . 1 . . . . . 7 GLU H . 51355 1 32 . 1 . 1 6 6 GLU HA H 1 4.296 0.000 . 1 . . . . . 7 GLU HA . 51355 1 33 . 1 . 1 6 6 GLU HB2 H 1 1.996 0.000 . 1 . . . . . 7 GLU HB2 . 51355 1 34 . 1 . 1 6 6 GLU HB3 H 1 1.996 0.000 . 1 . . . . . 7 GLU HB3 . 51355 1 35 . 1 . 1 6 6 GLU HG2 H 1 2.263 0.000 . 1 . . . . . 7 GLU HG2 . 51355 1 36 . 1 . 1 6 6 GLU HG3 H 1 2.263 0.000 . 1 . . . . . 7 GLU HG3 . 51355 1 37 . 1 . 1 6 6 GLU C C 13 176.296 0.003 . 1 . . . . . 7 GLU C . 51355 1 38 . 1 . 1 6 6 GLU CA C 13 56.533 0.036 . 1 . . . . . 7 GLU CA . 51355 1 39 . 1 . 1 6 6 GLU CB C 13 30.459 0.022 . 1 . . . . . 7 GLU CB . 51355 1 40 . 1 . 1 6 6 GLU CG C 13 36.367 0.000 . 1 . . . . . 7 GLU CG . 51355 1 41 . 1 . 1 6 6 GLU N N 15 121.918 0.028 . 1 . . . . . 7 GLU N . 51355 1 42 . 1 . 1 7 7 MET H H 1 8.465 0.002 . 1 . . . . . 8 MET H . 51355 1 43 . 1 . 1 7 7 MET HA H 1 4.484 0.000 . 1 . . . . . 8 MET HA . 51355 1 44 . 1 . 1 7 7 MET HB2 H 1 2.043 0.000 . 1 . . . . . 8 MET HB2 . 51355 1 45 . 1 . 1 7 7 MET HB3 H 1 2.043 0.000 . 1 . . . . . 8 MET HB3 . 51355 1 46 . 1 . 1 7 7 MET HG2 H 1 2.610 0.000 . 1 . . . . . 8 MET HG2 . 51355 1 47 . 1 . 1 7 7 MET HG3 H 1 2.610 0.000 . 1 . . . . . 8 MET HG3 . 51355 1 48 . 1 . 1 7 7 MET C C 13 175.989 0.005 . 1 . . . . . 8 MET C . 51355 1 49 . 1 . 1 7 7 MET CA C 13 55.453 0.015 . 1 . . . . . 8 MET CA . 51355 1 50 . 1 . 1 7 7 MET CB C 13 33.014 0.007 . 1 . . . . . 8 MET CB . 51355 1 51 . 1 . 1 7 7 MET CG C 13 32.106 0.000 . 1 . . . . . 8 MET CG . 51355 1 52 . 1 . 1 7 7 MET N N 15 122.247 0.022 . 1 . . . . . 8 MET N . 51355 1 53 . 1 . 1 8 8 VAL H H 1 8.217 0.003 . 1 . . . . . 9 VAL H . 51355 1 54 . 1 . 1 8 8 VAL HA H 1 4.404 0.000 . 1 . . . . . 9 VAL HA . 51355 1 55 . 1 . 1 8 8 VAL HB H 1 2.114 0.000 . 1 . . . . . 9 VAL HB . 51355 1 56 . 1 . 1 8 8 VAL HG11 H 1 0.978 0.000 . 1 . . . . . 9 VAL HG11 . 51355 1 57 . 1 . 1 8 8 VAL HG12 H 1 0.978 0.000 . 1 . . . . . 9 VAL HG12 . 51355 1 58 . 1 . 1 8 8 VAL HG13 H 1 0.978 0.000 . 1 . . . . . 9 VAL HG13 . 51355 1 59 . 1 . 1 8 8 VAL HG21 H 1 0.978 0.000 . 1 . . . . . 9 VAL HG21 . 51355 1 60 . 1 . 1 8 8 VAL HG22 H 1 0.978 0.000 . 1 . . . . . 9 VAL HG22 . 51355 1 61 . 1 . 1 8 8 VAL HG23 H 1 0.978 0.000 . 1 . . . . . 9 VAL HG23 . 51355 1 62 . 1 . 1 8 8 VAL C C 13 174.426 0.000 . 1 . . . . . 9 VAL C . 51355 1 63 . 1 . 1 8 8 VAL CA C 13 60.195 0.001 . 1 . . . . . 9 VAL CA . 51355 1 64 . 1 . 1 8 8 VAL CB C 13 32.699 0.000 . 1 . . . . . 9 VAL CB . 51355 1 65 . 1 . 1 8 8 VAL N N 15 123.496 0.013 . 1 . . . . . 9 VAL N . 51355 1 66 . 1 . 1 9 9 PRO C C 13 176.888 0.009 . 1 . . . . . 10 PRO C . 51355 1 67 . 1 . 1 9 9 PRO CA C 13 63.204 0.000 . 1 . . . . . 10 PRO CA . 51355 1 68 . 1 . 1 9 9 PRO CB C 13 32.171 0.000 . 1 . . . . . 10 PRO CB . 51355 1 69 . 1 . 1 9 9 PRO CG C 13 27.611 0.000 . 1 . . . . . 10 PRO CG . 51355 1 70 . 1 . 1 9 9 PRO CD C 13 51.059 0.000 . 1 . . . . . 10 PRO CD . 51355 1 71 . 1 . 1 10 10 LEU H H 1 8.385 0.004 . 1 . . . . . 11 LEU H . 51355 1 72 . 1 . 1 10 10 LEU HA H 1 4.296 0.000 . 1 . . . . . 11 LEU HA . 51355 1 73 . 1 . 1 10 10 LEU HB2 H 1 1.626 0.000 . 2 . . . . . 11 LEU HB2 . 51355 1 74 . 1 . 1 10 10 LEU HB3 H 1 1.752 0.000 . 2 . . . . . 11 LEU HB3 . 51355 1 75 . 1 . 1 10 10 LEU HG H 1 1.678 0.000 . 1 . . . . . 11 LEU HG . 51355 1 76 . 1 . 1 10 10 LEU HD11 H 1 0.896 0.000 . 1 . . . . . 11 LEU HD11 . 51355 1 77 . 1 . 1 10 10 LEU HD12 H 1 0.896 0.000 . 1 . . . . . 11 LEU HD12 . 51355 1 78 . 1 . 1 10 10 LEU HD13 H 1 0.896 0.000 . 1 . . . . . 11 LEU HD13 . 51355 1 79 . 1 . 1 10 10 LEU HD21 H 1 0.896 0.000 . 1 . . . . . 11 LEU HD21 . 51355 1 80 . 1 . 1 10 10 LEU HD22 H 1 0.896 0.000 . 1 . . . . . 11 LEU HD22 . 51355 1 81 . 1 . 1 10 10 LEU HD23 H 1 0.896 0.000 . 1 . . . . . 11 LEU HD23 . 51355 1 82 . 1 . 1 10 10 LEU C C 13 177.707 0.014 . 1 . . . . . 11 LEU C . 51355 1 83 . 1 . 1 10 10 LEU CA C 13 55.531 0.010 . 1 . . . . . 11 LEU CA . 51355 1 84 . 1 . 1 10 10 LEU CB C 13 42.386 0.018 . 1 . . . . . 11 LEU CB . 51355 1 85 . 1 . 1 10 10 LEU N N 15 122.516 0.018 . 1 . . . . . 11 LEU N . 51355 1 86 . 1 . 1 11 11 MET H H 1 8.420 0.004 . 1 . . . . . 12 MET H . 51355 1 87 . 1 . 1 11 11 MET HA H 1 4.522 0.000 . 1 . . . . . 12 MET HA . 51355 1 88 . 1 . 1 11 11 MET HB2 H 1 2.193 0.000 . 1 . . . . . 12 MET HB2 . 51355 1 89 . 1 . 1 11 11 MET HB3 H 1 2.193 0.000 . 1 . . . . . 12 MET HB3 . 51355 1 90 . 1 . 1 11 11 MET HG2 H 1 2.584 0.000 . 1 . . . . . 12 MET HG2 . 51355 1 91 . 1 . 1 11 11 MET HG3 H 1 2.584 0.000 . 1 . . . . . 12 MET HG3 . 51355 1 92 . 1 . 1 11 11 MET C C 13 176.722 0.041 . 1 . . . . . 12 MET C . 51355 1 93 . 1 . 1 11 11 MET CA C 13 55.674 0.058 . 1 . . . . . 12 MET CA . 51355 1 94 . 1 . 1 11 11 MET CB C 13 32.658 0.444 . 1 . . . . . 12 MET CB . 51355 1 95 . 1 . 1 11 11 MET CG C 13 32.089 0.000 . 1 . . . . . 12 MET CG . 51355 1 96 . 1 . 1 11 11 MET N N 15 120.864 0.039 . 1 . . . . . 12 MET N . 51355 1 97 . 1 . 1 12 12 GLY H H 1 8.426 0.003 . 1 . . . . . 13 GLY H . 51355 1 98 . 1 . 1 12 12 GLY HA2 H 1 3.948 0.000 . 1 . . . . . 13 GLY HA2 . 51355 1 99 . 1 . 1 12 12 GLY HA3 H 1 3.948 0.000 . 1 . . . . . 13 GLY HA3 . 51355 1 100 . 1 . 1 12 12 GLY C C 13 173.958 0.006 . 1 . . . . . 13 GLY C . 51355 1 101 . 1 . 1 12 12 GLY CA C 13 45.320 0.013 . 1 . . . . . 13 GLY CA . 51355 1 102 . 1 . 1 12 12 GLY N N 15 109.989 0.008 . 1 . . . . . 13 GLY N . 51355 1 103 . 1 . 1 13 13 LYS H H 1 8.202 0.002 . 1 . . . . . 14 LYS H . 51355 1 104 . 1 . 1 13 13 LYS HA H 1 4.321 0.000 . 1 . . . . . 14 LYS HA . 51355 1 105 . 1 . 1 13 13 LYS HB2 H 1 1.788 0.000 . 1 . . . . . 14 LYS HB2 . 51355 1 106 . 1 . 1 13 13 LYS HB3 H 1 1.788 0.000 . 1 . . . . . 14 LYS HB3 . 51355 1 107 . 1 . 1 13 13 LYS HG2 H 1 1.431 0.000 . 1 . . . . . 14 LYS HG2 . 51355 1 108 . 1 . 1 13 13 LYS HG3 H 1 1.431 0.000 . 1 . . . . . 14 LYS HG3 . 51355 1 109 . 1 . 1 13 13 LYS HD2 H 1 1.552 0.000 . 1 . . . . . 14 LYS HD2 . 51355 1 110 . 1 . 1 13 13 LYS HD3 H 1 1.552 0.000 . 1 . . . . . 14 LYS HD3 . 51355 1 111 . 1 . 1 13 13 LYS C C 13 176.629 0.018 . 1 . . . . . 14 LYS C . 51355 1 112 . 1 . 1 13 13 LYS CA C 13 56.286 0.012 . 1 . . . . . 14 LYS CA . 51355 1 113 . 1 . 1 13 13 LYS CB C 13 33.261 0.000 . 1 . . . . . 14 LYS CB . 51355 1 114 . 1 . 1 13 13 LYS CG C 13 24.661 0.000 . 1 . . . . . 14 LYS CG . 51355 1 115 . 1 . 1 13 13 LYS CD C 13 29.035 0.000 . 1 . . . . . 14 LYS CD . 51355 1 116 . 1 . 1 13 13 LYS CE C 13 42.292 0.000 . 1 . . . . . 14 LYS CE . 51355 1 117 . 1 . 1 13 13 LYS N N 15 120.917 0.020 . 1 . . . . . 14 LYS N . 51355 1 118 . 1 . 1 14 14 ARG H H 1 8.444 0.005 . 1 . . . . . 15 ARG H . 51355 1 119 . 1 . 1 14 14 ARG HA H 1 4.364 0.000 . 1 . . . . . 15 ARG HA . 51355 1 120 . 1 . 1 14 14 ARG HB2 H 1 1.762 0.000 . 1 . . . . . 15 ARG HB2 . 51355 1 121 . 1 . 1 14 14 ARG HB3 H 1 1.762 0.000 . 1 . . . . . 15 ARG HB3 . 51355 1 122 . 1 . 1 14 14 ARG HG2 H 1 1.468 0.000 . 1 . . . . . 15 ARG HG2 . 51355 1 123 . 1 . 1 14 14 ARG HG3 H 1 1.468 0.000 . 1 . . . . . 15 ARG HG3 . 51355 1 124 . 1 . 1 14 14 ARG HD2 H 1 3.175 0.000 . 1 . . . . . 15 ARG HD2 . 51355 1 125 . 1 . 1 14 14 ARG HD3 H 1 3.175 0.000 . 1 . . . . . 15 ARG HD3 . 51355 1 126 . 1 . 1 14 14 ARG C C 13 176.233 0.003 . 1 . . . . . 15 ARG C . 51355 1 127 . 1 . 1 14 14 ARG CA C 13 56.160 0.089 . 1 . . . . . 15 ARG CA . 51355 1 128 . 1 . 1 14 14 ARG CB C 13 30.901 0.021 . 1 . . . . . 15 ARG CB . 51355 1 129 . 1 . 1 14 14 ARG CG C 13 27.295 0.000 . 1 . . . . . 15 ARG CG . 51355 1 130 . 1 . 1 14 14 ARG CD C 13 43.535 0.000 . 1 . . . . . 15 ARG CD . 51355 1 131 . 1 . 1 14 14 ARG N N 15 123.011 0.012 . 1 . . . . . 15 ARG N . 51355 1 132 . 1 . 1 15 15 VAL H H 1 8.273 0.004 . 1 . . . . . 16 VAL H . 51355 1 133 . 1 . 1 15 15 VAL HA H 1 4.143 0.000 . 1 . . . . . 16 VAL HA . 51355 1 134 . 1 . 1 15 15 VAL HB H 1 2.072 0.000 . 1 . . . . . 16 VAL HB . 51355 1 135 . 1 . 1 15 15 VAL HG11 H 1 0.937 0.000 . 1 . . . . . 16 VAL HG11 . 51355 1 136 . 1 . 1 15 15 VAL HG12 H 1 0.937 0.000 . 1 . . . . . 16 VAL HG12 . 51355 1 137 . 1 . 1 15 15 VAL HG13 H 1 0.937 0.000 . 1 . . . . . 16 VAL HG13 . 51355 1 138 . 1 . 1 15 15 VAL HG21 H 1 0.937 0.000 . 1 . . . . . 16 VAL HG21 . 51355 1 139 . 1 . 1 15 15 VAL HG22 H 1 0.937 0.000 . 1 . . . . . 16 VAL HG22 . 51355 1 140 . 1 . 1 15 15 VAL HG23 H 1 0.937 0.000 . 1 . . . . . 16 VAL HG23 . 51355 1 141 . 1 . 1 15 15 VAL C C 13 175.689 0.044 . 1 . . . . . 16 VAL C . 51355 1 142 . 1 . 1 15 15 VAL CA C 13 62.051 0.001 . 1 . . . . . 16 VAL CA . 51355 1 143 . 1 . 1 15 15 VAL CB C 13 33.072 0.030 . 1 . . . . . 16 VAL CB . 51355 1 144 . 1 . 1 15 15 VAL CG1 C 13 20.522 0.000 . 2 . . . . . 16 VAL CG1 . 51355 1 145 . 1 . 1 15 15 VAL CG2 C 13 21.268 0.000 . 2 . . . . . 16 VAL CG2 . 51355 1 146 . 1 . 1 15 15 VAL N N 15 122.205 0.003 . 1 . . . . . 16 VAL N . 51355 1 147 . 1 . 1 16 16 ALA H H 1 8.435 0.003 . 1 . . . . . 17 ALA H . 51355 1 148 . 1 . 1 16 16 ALA HA H 1 4.325 0.000 . 1 . . . . . 17 ALA HA . 51355 1 149 . 1 . 1 16 16 ALA HB1 H 1 1.380 0.000 . 1 . . . . . 17 ALA HB1 . 51355 1 150 . 1 . 1 16 16 ALA HB2 H 1 1.380 0.000 . 1 . . . . . 17 ALA HB2 . 51355 1 151 . 1 . 1 16 16 ALA HB3 H 1 1.380 0.000 . 1 . . . . . 17 ALA HB3 . 51355 1 152 . 1 . 1 16 16 ALA C C 13 176.922 0.011 . 1 . . . . . 17 ALA C . 51355 1 153 . 1 . 1 16 16 ALA CA C 13 52.169 0.002 . 1 . . . . . 17 ALA CA . 51355 1 154 . 1 . 1 16 16 ALA CB C 13 19.525 0.002 . 1 . . . . . 17 ALA CB . 51355 1 155 . 1 . 1 16 16 ALA N N 15 128.342 0.016 . 1 . . . . . 17 ALA N . 51355 1 156 . 1 . 1 17 17 ALA H H 1 8.341 0.002 . 1 . . . . . 18 ALA H . 51355 1 157 . 1 . 1 17 17 ALA HA H 1 4.596 0.000 . 1 . . . . . 18 ALA HA . 51355 1 158 . 1 . 1 17 17 ALA HB1 H 1 1.362 0.000 . 1 . . . . . 18 ALA HB1 . 51355 1 159 . 1 . 1 17 17 ALA HB2 H 1 1.362 0.000 . 1 . . . . . 18 ALA HB2 . 51355 1 160 . 1 . 1 17 17 ALA HB3 H 1 1.362 0.000 . 1 . . . . . 18 ALA HB3 . 51355 1 161 . 1 . 1 17 17 ALA C C 13 175.722 0.000 . 1 . . . . . 18 ALA C . 51355 1 162 . 1 . 1 17 17 ALA CA C 13 50.427 0.000 . 1 . . . . . 18 ALA CA . 51355 1 163 . 1 . 1 17 17 ALA CB C 13 18.267 0.000 . 1 . . . . . 18 ALA CB . 51355 1 164 . 1 . 1 17 17 ALA N N 15 125.060 0.018 . 1 . . . . . 18 ALA N . 51355 1 165 . 1 . 1 18 18 PRO C C 13 177.208 0.013 . 1 . . . . . 19 PRO C . 51355 1 166 . 1 . 1 18 18 PRO CA C 13 63.332 0.010 . 1 . . . . . 19 PRO CA . 51355 1 167 . 1 . 1 18 18 PRO CB C 13 32.091 0.000 . 1 . . . . . 19 PRO CB . 51355 1 168 . 1 . 1 18 18 PRO CG C 13 27.546 0.000 . 1 . . . . . 19 PRO CG . 51355 1 169 . 1 . 1 18 18 PRO CD C 13 50.565 0.000 . 1 . . . . . 19 PRO CD . 51355 1 170 . 1 . 1 19 19 SER H H 1 8.472 0.004 . 1 . . . . . 20 SER H . 51355 1 171 . 1 . 1 19 19 SER HA H 1 4.445 0.000 . 1 . . . . . 20 SER HA . 51355 1 172 . 1 . 1 19 19 SER HB2 H 1 3.901 0.000 . 1 . . . . . 20 SER HB2 . 51355 1 173 . 1 . 1 19 19 SER HB3 H 1 3.901 0.000 . 1 . . . . . 20 SER HB3 . 51355 1 174 . 1 . 1 19 19 SER C C 13 175.110 0.021 . 1 . . . . . 20 SER C . 51355 1 175 . 1 . 1 19 19 SER CA C 13 58.431 0.076 . 1 . . . . . 20 SER CA . 51355 1 176 . 1 . 1 19 19 SER CB C 13 64.069 0.011 . 1 . . . . . 20 SER CB . 51355 1 177 . 1 . 1 19 19 SER N N 15 116.037 0.022 . 1 . . . . . 20 SER N . 51355 1 178 . 1 . 1 20 20 GLY H H 1 8.435 0.002 . 1 . . . . . 21 GLY H . 51355 1 179 . 1 . 1 20 20 GLY HA2 H 1 3.923 0.000 . 1 . . . . . 21 GLY HA2 . 51355 1 180 . 1 . 1 20 20 GLY HA3 H 1 3.923 0.000 . 1 . . . . . 21 GLY HA3 . 51355 1 181 . 1 . 1 20 20 GLY C C 13 173.528 0.024 . 1 . . . . . 21 GLY C . 51355 1 182 . 1 . 1 20 20 GLY CA C 13 45.171 0.018 . 1 . . . . . 21 GLY CA . 51355 1 183 . 1 . 1 20 20 GLY N N 15 110.554 0.022 . 1 . . . . . 21 GLY N . 51355 1 184 . 1 . 1 21 21 ASN H H 1 8.365 0.003 . 1 . . . . . 22 ASN H . 51355 1 185 . 1 . 1 21 21 ASN HA H 1 5.005 0.000 . 1 . . . . . 22 ASN HA . 51355 1 186 . 1 . 1 21 21 ASN HB2 H 1 2.753 0.000 . 1 . . . . . 22 ASN HB2 . 51355 1 187 . 1 . 1 21 21 ASN HB3 H 1 2.753 0.000 . 1 . . . . . 22 ASN HB3 . 51355 1 188 . 1 . 1 21 21 ASN C C 13 173.548 0.000 . 1 . . . . . 22 ASN C . 51355 1 189 . 1 . 1 21 21 ASN CA C 13 51.259 0.065 . 1 . . . . . 22 ASN CA . 51355 1 190 . 1 . 1 21 21 ASN CB C 13 38.972 0.000 . 1 . . . . . 22 ASN CB . 51355 1 191 . 1 . 1 21 21 ASN N N 15 119.623 0.017 . 1 . . . . . 22 ASN N . 51355 1 192 . 1 . 1 22 22 PRO C C 13 176.558 0.005 . 1 . . . . . 23 PRO C . 51355 1 193 . 1 . 1 22 22 PRO CA C 13 63.399 0.024 . 1 . . . . . 23 PRO CA . 51355 1 194 . 1 . 1 22 22 PRO CB C 13 32.216 0.000 . 1 . . . . . 23 PRO CB . 51355 1 195 . 1 . 1 22 22 PRO CG C 13 27.264 0.000 . 1 . . . . . 23 PRO CG . 51355 1 196 . 1 . 1 22 22 PRO CD C 13 50.797 0.000 . 1 . . . . . 23 PRO CD . 51355 1 197 . 1 . 1 23 23 ALA H H 1 8.311 0.003 . 1 . . . . . 24 ALA H . 51355 1 198 . 1 . 1 23 23 ALA HA H 1 4.284 0.000 . 1 . . . . . 24 ALA HA . 51355 1 199 . 1 . 1 23 23 ALA HB1 H 1 1.341 0.000 . 1 . . . . . 24 ALA HB1 . 51355 1 200 . 1 . 1 23 23 ALA HB2 H 1 1.341 0.000 . 1 . . . . . 24 ALA HB2 . 51355 1 201 . 1 . 1 23 23 ALA HB3 H 1 1.341 0.000 . 1 . . . . . 24 ALA HB3 . 51355 1 202 . 1 . 1 23 23 ALA C C 13 177.592 0.007 . 1 . . . . . 24 ALA C . 51355 1 203 . 1 . 1 23 23 ALA CA C 13 52.580 0.039 . 1 . . . . . 24 ALA CA . 51355 1 204 . 1 . 1 23 23 ALA CB C 13 19.207 0.007 . 1 . . . . . 24 ALA CB . 51355 1 205 . 1 . 1 23 23 ALA N N 15 123.422 0.016 . 1 . . . . . 24 ALA N . 51355 1 206 . 1 . 1 24 24 ILE H H 1 7.994 0.002 . 1 . . . . . 25 ILE H . 51355 1 207 . 1 . 1 24 24 ILE HA H 1 4.159 0.000 . 1 . . . . . 25 ILE HA . 51355 1 208 . 1 . 1 24 24 ILE HB H 1 1.838 0.000 . 1 . . . . . 25 ILE HB . 51355 1 209 . 1 . 1 24 24 ILE HG12 H 1 1.236 0.000 . 1 . . . . . 25 ILE HG12 . 51355 1 210 . 1 . 1 24 24 ILE HG13 H 1 1.236 0.000 . 1 . . . . . 25 ILE HG13 . 51355 1 211 . 1 . 1 24 24 ILE HG21 H 1 0.895 0.000 . 1 . . . . . 25 ILE HG21 . 51355 1 212 . 1 . 1 24 24 ILE HG22 H 1 0.895 0.000 . 1 . . . . . 25 ILE HG22 . 51355 1 213 . 1 . 1 24 24 ILE HG23 H 1 0.895 0.000 . 1 . . . . . 25 ILE HG23 . 51355 1 214 . 1 . 1 24 24 ILE HD11 H 1 0.895 0.000 . 1 . . . . . 25 ILE HD11 . 51355 1 215 . 1 . 1 24 24 ILE HD12 H 1 0.895 0.000 . 1 . . . . . 25 ILE HD12 . 51355 1 216 . 1 . 1 24 24 ILE HD13 H 1 0.895 0.000 . 1 . . . . . 25 ILE HD13 . 51355 1 217 . 1 . 1 24 24 ILE C C 13 175.951 0.011 . 1 . . . . . 25 ILE C . 51355 1 218 . 1 . 1 24 24 ILE CA C 13 60.769 0.020 . 1 . . . . . 25 ILE CA . 51355 1 219 . 1 . 1 24 24 ILE CB C 13 38.627 0.005 . 1 . . . . . 25 ILE CB . 51355 1 220 . 1 . 1 24 24 ILE CG1 C 13 27.226 0.000 . 1 . . . . . 25 ILE CG1 . 51355 1 221 . 1 . 1 24 24 ILE CG2 C 13 17.631 0.000 . 1 . . . . . 25 ILE CG2 . 51355 1 222 . 1 . 1 24 24 ILE CD1 C 13 12.889 0.000 . 1 . . . . . 25 ILE CD1 . 51355 1 223 . 1 . 1 24 24 ILE N N 15 119.801 0.014 . 1 . . . . . 25 ILE N . 51355 1 224 . 1 . 1 25 25 LEU H H 1 8.359 0.002 . 1 . . . . . 26 LEU H . 51355 1 225 . 1 . 1 25 25 LEU HA H 1 4.660 0.000 . 1 . . . . . 26 LEU HA . 51355 1 226 . 1 . 1 25 25 LEU HB2 H 1 1.551 0.000 . 2 . . . . . 26 LEU HB2 . 51355 1 227 . 1 . 1 25 25 LEU HB3 H 1 1.735 0.000 . 2 . . . . . 26 LEU HB3 . 51355 1 228 . 1 . 1 25 25 LEU HG H 1 1.599 0.000 . 1 . . . . . 26 LEU HG . 51355 1 229 . 1 . 1 25 25 LEU HD11 H 1 0.943 0.000 . 1 . . . . . 26 LEU HD11 . 51355 1 230 . 1 . 1 25 25 LEU HD12 H 1 0.943 0.000 . 1 . . . . . 26 LEU HD12 . 51355 1 231 . 1 . 1 25 25 LEU HD13 H 1 0.943 0.000 . 1 . . . . . 26 LEU HD13 . 51355 1 232 . 1 . 1 25 25 LEU HD21 H 1 0.943 0.000 . 1 . . . . . 26 LEU HD21 . 51355 1 233 . 1 . 1 25 25 LEU HD22 H 1 0.943 0.000 . 1 . . . . . 26 LEU HD22 . 51355 1 234 . 1 . 1 25 25 LEU HD23 H 1 0.943 0.000 . 1 . . . . . 26 LEU HD23 . 51355 1 235 . 1 . 1 25 25 LEU C C 13 175.188 0.000 . 1 . . . . . 26 LEU C . 51355 1 236 . 1 . 1 25 25 LEU CA C 13 52.921 0.009 . 1 . . . . . 26 LEU CA . 51355 1 237 . 1 . 1 25 25 LEU CB C 13 41.803 0.000 . 1 . . . . . 26 LEU CB . 51355 1 238 . 1 . 1 25 25 LEU N N 15 128.225 0.015 . 1 . . . . . 26 LEU N . 51355 1 239 . 1 . 1 26 26 PRO C C 13 176.979 0.023 . 1 . . . . . 27 PRO C . 51355 1 240 . 1 . 1 26 26 PRO CA C 13 63.180 0.004 . 1 . . . . . 27 PRO CA . 51355 1 241 . 1 . 1 26 26 PRO CB C 13 32.117 0.000 . 1 . . . . . 27 PRO CB . 51355 1 242 . 1 . 1 26 26 PRO CG C 13 27.549 0.000 . 1 . . . . . 27 PRO CG . 51355 1 243 . 1 . 1 26 26 PRO CD C 13 50.681 0.000 . 1 . . . . . 27 PRO CD . 51355 1 244 . 1 . 1 27 27 GLU H H 1 8.539 0.002 . 1 . . . . . 28 GLU H . 51355 1 245 . 1 . 1 27 27 GLU HA H 1 4.226 0.000 . 1 . . . . . 28 GLU HA . 51355 1 246 . 1 . 1 27 27 GLU HB2 H 1 1.985 0.000 . 1 . . . . . 28 GLU HB2 . 51355 1 247 . 1 . 1 27 27 GLU HB3 H 1 1.985 0.000 . 1 . . . . . 28 GLU HB3 . 51355 1 248 . 1 . 1 27 27 GLU HG2 H 1 2.311 0.000 . 1 . . . . . 28 GLU HG2 . 51355 1 249 . 1 . 1 27 27 GLU HG3 H 1 2.311 0.000 . 1 . . . . . 28 GLU HG3 . 51355 1 250 . 1 . 1 27 27 GLU C C 13 176.566 0.032 . 1 . . . . . 28 GLU C . 51355 1 251 . 1 . 1 27 27 GLU CA C 13 56.702 0.011 . 1 . . . . . 28 GLU CA . 51355 1 252 . 1 . 1 27 27 GLU CB C 13 30.492 0.018 . 1 . . . . . 28 GLU CB . 51355 1 253 . 1 . 1 27 27 GLU CG C 13 36.379 0.000 . 1 . . . . . 28 GLU CG . 51355 1 254 . 1 . 1 27 27 GLU N N 15 121.104 0.015 . 1 . . . . . 28 GLU N . 51355 1 255 . 1 . 1 28 28 LYS H H 1 8.415 0.003 . 1 . . . . . 29 LYS H . 51355 1 256 . 1 . 1 28 28 LYS HA H 1 4.351 0.000 . 1 . . . . . 29 LYS HA . 51355 1 257 . 1 . 1 28 28 LYS HB2 H 1 1.720 0.000 . 1 . . . . . 29 LYS HB2 . 51355 1 258 . 1 . 1 28 28 LYS HB3 H 1 1.720 0.000 . 1 . . . . . 29 LYS HB3 . 51355 1 259 . 1 . 1 28 28 LYS HG2 H 1 1.413 0.000 . 1 . . . . . 29 LYS HG2 . 51355 1 260 . 1 . 1 28 28 LYS HG3 H 1 1.413 0.000 . 1 . . . . . 29 LYS HG3 . 51355 1 261 . 1 . 1 28 28 LYS HD2 H 1 1.642 0.000 . 1 . . . . . 29 LYS HD2 . 51355 1 262 . 1 . 1 28 28 LYS HD3 H 1 1.642 0.000 . 1 . . . . . 29 LYS HD3 . 51355 1 263 . 1 . 1 28 28 LYS HE2 H 1 2.989 0.000 . 1 . . . . . 29 LYS HE2 . 51355 1 264 . 1 . 1 28 28 LYS HE3 H 1 2.989 0.000 . 1 . . . . . 29 LYS HE3 . 51355 1 265 . 1 . 1 28 28 LYS C C 13 176.245 0.003 . 1 . . . . . 29 LYS C . 51355 1 266 . 1 . 1 28 28 LYS CA C 13 55.993 0.064 . 1 . . . . . 29 LYS CA . 51355 1 267 . 1 . 1 28 28 LYS CB C 13 33.114 0.018 . 1 . . . . . 29 LYS CB . 51355 1 268 . 1 . 1 28 28 LYS CG C 13 24.967 0.000 . 1 . . . . . 29 LYS CG . 51355 1 269 . 1 . 1 28 28 LYS CD C 13 29.360 0.000 . 1 . . . . . 29 LYS CD . 51355 1 270 . 1 . 1 28 28 LYS CE C 13 42.370 0.000 . 1 . . . . . 29 LYS CE . 51355 1 271 . 1 . 1 28 28 LYS N N 15 122.943 0.000 . 1 . . . . . 29 LYS N . 51355 1 272 . 1 . 1 29 29 ARG H H 1 8.464 0.003 . 1 . . . . . 30 ARG H . 51355 1 273 . 1 . 1 29 29 ARG HA H 1 4.617 0.000 . 1 . . . . . 30 ARG HA . 51355 1 274 . 1 . 1 29 29 ARG HB2 H 1 1.747 0.000 . 1 . . . . . 30 ARG HB2 . 51355 1 275 . 1 . 1 29 29 ARG HB3 H 1 1.747 0.000 . 1 . . . . . 30 ARG HB3 . 51355 1 276 . 1 . 1 29 29 ARG HG2 H 1 1.618 0.000 . 1 . . . . . 30 ARG HG2 . 51355 1 277 . 1 . 1 29 29 ARG HG3 H 1 1.618 0.000 . 1 . . . . . 30 ARG HG3 . 51355 1 278 . 1 . 1 29 29 ARG HD2 H 1 3.212 0.000 . 1 . . . . . 30 ARG HD2 . 51355 1 279 . 1 . 1 29 29 ARG HD3 H 1 3.212 0.000 . 1 . . . . . 30 ARG HD3 . 51355 1 280 . 1 . 1 29 29 ARG C C 13 174.332 0.000 . 1 . . . . . 30 ARG C . 51355 1 281 . 1 . 1 29 29 ARG CA C 13 54.066 0.010 . 1 . . . . . 30 ARG CA . 51355 1 282 . 1 . 1 29 29 ARG CB C 13 30.129 0.000 . 1 . . . . . 30 ARG CB . 51355 1 283 . 1 . 1 29 29 ARG N N 15 124.176 0.007 . 1 . . . . . 30 ARG N . 51355 1 284 . 1 . 1 30 30 PRO C C 13 176.726 0.011 . 1 . . . . . 31 PRO C . 51355 1 285 . 1 . 1 30 30 PRO CA C 13 63.283 0.000 . 1 . . . . . 31 PRO CA . 51355 1 286 . 1 . 1 30 30 PRO CB C 13 32.190 0.000 . 1 . . . . . 31 PRO CB . 51355 1 287 . 1 . 1 30 30 PRO CG C 13 27.600 0.000 . 1 . . . . . 31 PRO CG . 51355 1 288 . 1 . 1 30 30 PRO CD C 13 50.735 0.000 . 1 . . . . . 31 PRO CD . 51355 1 289 . 1 . 1 31 31 ALA H H 1 8.443 0.004 . 1 . . . . . 32 ALA H . 51355 1 290 . 1 . 1 31 31 ALA HA H 1 4.278 0.000 . 1 . . . . . 32 ALA HA . 51355 1 291 . 1 . 1 31 31 ALA HB1 H 1 1.383 0.000 . 1 . . . . . 32 ALA HB1 . 51355 1 292 . 1 . 1 31 31 ALA HB2 H 1 1.383 0.000 . 1 . . . . . 32 ALA HB2 . 51355 1 293 . 1 . 1 31 31 ALA HB3 H 1 1.383 0.000 . 1 . . . . . 32 ALA HB3 . 51355 1 294 . 1 . 1 31 31 ALA C C 13 177.866 0.016 . 1 . . . . . 32 ALA C . 51355 1 295 . 1 . 1 31 31 ALA CA C 13 52.618 0.019 . 1 . . . . . 32 ALA CA . 51355 1 296 . 1 . 1 31 31 ALA CB C 13 19.322 0.006 . 1 . . . . . 32 ALA CB . 51355 1 297 . 1 . 1 31 31 ALA N N 15 124.099 0.027 . 1 . . . . . 32 ALA N . 51355 1 298 . 1 . 1 32 32 GLU H H 1 8.406 0.003 . 1 . . . . . 33 GLU H . 51355 1 299 . 1 . 1 32 32 GLU HA H 1 4.323 0.000 . 1 . . . . . 33 GLU HA . 51355 1 300 . 1 . 1 32 32 GLU HB2 H 1 1.977 0.000 . 1 . . . . . 33 GLU HB2 . 51355 1 301 . 1 . 1 32 32 GLU HB3 H 1 1.977 0.000 . 1 . . . . . 33 GLU HB3 . 51355 1 302 . 1 . 1 32 32 GLU HG2 H 1 2.240 0.000 . 1 . . . . . 33 GLU HG2 . 51355 1 303 . 1 . 1 32 32 GLU HG3 H 1 2.240 0.000 . 1 . . . . . 33 GLU HG3 . 51355 1 304 . 1 . 1 32 32 GLU C C 13 176.371 0.030 . 1 . . . . . 33 GLU C . 51355 1 305 . 1 . 1 32 32 GLU CA C 13 56.361 0.016 . 1 . . . . . 33 GLU CA . 51355 1 306 . 1 . 1 32 32 GLU CB C 13 30.609 0.020 . 1 . . . . . 33 GLU CB . 51355 1 307 . 1 . 1 32 32 GLU CG C 13 36.435 0.000 . 1 . . . . . 33 GLU CG . 51355 1 308 . 1 . 1 32 32 GLU N N 15 120.156 0.008 . 1 . . . . . 33 GLU N . 51355 1 309 . 1 . 1 33 33 ILE H H 1 8.290 0.003 . 1 . . . . . 34 ILE H . 51355 1 310 . 1 . 1 33 33 ILE HA H 1 4.259 0.000 . 1 . . . . . 34 ILE HA . 51355 1 311 . 1 . 1 33 33 ILE HB H 1 1.863 0.000 . 1 . . . . . 34 ILE HB . 51355 1 312 . 1 . 1 33 33 ILE HG12 H 1 1.401 0.000 . 1 . . . . . 34 ILE HG12 . 51355 1 313 . 1 . 1 33 33 ILE HG13 H 1 1.401 0.000 . 1 . . . . . 34 ILE HG13 . 51355 1 314 . 1 . 1 33 33 ILE HG21 H 1 0.876 0.000 . 1 . . . . . 34 ILE HG21 . 51355 1 315 . 1 . 1 33 33 ILE HG22 H 1 0.876 0.000 . 1 . . . . . 34 ILE HG22 . 51355 1 316 . 1 . 1 33 33 ILE HG23 H 1 0.876 0.000 . 1 . . . . . 34 ILE HG23 . 51355 1 317 . 1 . 1 33 33 ILE HD11 H 1 0.876 0.000 . 1 . . . . . 34 ILE HD11 . 51355 1 318 . 1 . 1 33 33 ILE HD12 H 1 0.876 0.000 . 1 . . . . . 34 ILE HD12 . 51355 1 319 . 1 . 1 33 33 ILE HD13 H 1 0.876 0.000 . 1 . . . . . 34 ILE HD13 . 51355 1 320 . 1 . 1 33 33 ILE C C 13 176.269 0.030 . 1 . . . . . 34 ILE C . 51355 1 321 . 1 . 1 33 33 ILE CA C 13 61.036 0.031 . 1 . . . . . 34 ILE CA . 51355 1 322 . 1 . 1 33 33 ILE CB C 13 38.840 0.052 . 1 . . . . . 34 ILE CB . 51355 1 323 . 1 . 1 33 33 ILE CG1 C 13 27.328 0.000 . 1 . . . . . 34 ILE CG1 . 51355 1 324 . 1 . 1 33 33 ILE CG2 C 13 17.688 0.000 . 1 . . . . . 34 ILE CG2 . 51355 1 325 . 1 . 1 33 33 ILE CD1 C 13 13.021 0.000 . 1 . . . . . 34 ILE CD1 . 51355 1 326 . 1 . 1 33 33 ILE N N 15 122.487 0.010 . 1 . . . . . 34 ILE N . 51355 1 327 . 1 . 1 34 34 THR H H 1 8.338 0.002 . 1 . . . . . 35 THR H . 51355 1 328 . 1 . 1 34 34 THR HA H 1 4.621 0.000 . 1 . . . . . 35 THR HA . 51355 1 329 . 1 . 1 34 34 THR HB H 1 4.159 0.000 . 1 . . . . . 35 THR HB . 51355 1 330 . 1 . 1 34 34 THR HG21 H 1 1.251 0.000 . 1 . . . . . 35 THR HG21 . 51355 1 331 . 1 . 1 34 34 THR HG22 H 1 1.251 0.000 . 1 . . . . . 35 THR HG22 . 51355 1 332 . 1 . 1 34 34 THR HG23 H 1 1.251 0.000 . 1 . . . . . 35 THR HG23 . 51355 1 333 . 1 . 1 34 34 THR C C 13 172.865 0.000 . 1 . . . . . 35 THR C . 51355 1 334 . 1 . 1 34 34 THR CA C 13 59.808 0.002 . 1 . . . . . 35 THR CA . 51355 1 335 . 1 . 1 34 34 THR CB C 13 69.719 0.000 . 1 . . . . . 35 THR CB . 51355 1 336 . 1 . 1 34 34 THR N N 15 121.375 0.023 . 1 . . . . . 35 THR N . 51355 1 337 . 1 . 1 35 35 PRO C C 13 177.214 0.001 . 1 . . . . . 36 PRO C . 51355 1 338 . 1 . 1 35 35 PRO CA C 13 63.372 0.022 . 1 . . . . . 36 PRO CA . 51355 1 339 . 1 . 1 35 35 PRO CB C 13 32.219 0.000 . 1 . . . . . 36 PRO CB . 51355 1 340 . 1 . 1 35 35 PRO CG C 13 27.508 0.000 . 1 . . . . . 36 PRO CG . 51355 1 341 . 1 . 1 35 35 PRO CD C 13 51.372 0.000 . 1 . . . . . 36 PRO CD . 51355 1 342 . 1 . 1 36 36 THR H H 1 8.297 0.005 . 1 . . . . . 37 THR H . 51355 1 343 . 1 . 1 36 36 THR HA H 1 4.792 0.000 . 1 . . . . . 37 THR HA . 51355 1 344 . 1 . 1 36 36 THR HB H 1 4.279 0.000 . 1 . . . . . 37 THR HB . 51355 1 345 . 1 . 1 36 36 THR HG21 H 1 1.246 0.000 . 1 . . . . . 37 THR HG21 . 51355 1 346 . 1 . 1 36 36 THR HG22 H 1 1.246 0.000 . 1 . . . . . 37 THR HG22 . 51355 1 347 . 1 . 1 36 36 THR HG23 H 1 1.246 0.000 . 1 . . . . . 37 THR HG23 . 51355 1 348 . 1 . 1 36 36 THR C C 13 174.722 0.003 . 1 . . . . . 37 THR C . 51355 1 349 . 1 . 1 36 36 THR CA C 13 62.195 0.098 . 1 . . . . . 37 THR CA . 51355 1 350 . 1 . 1 36 36 THR CB C 13 70.020 0.020 . 1 . . . . . 37 THR CB . 51355 1 351 . 1 . 1 36 36 THR CG2 C 13 21.809 0.000 . 1 . . . . . 37 THR CG2 . 51355 1 352 . 1 . 1 36 36 THR N N 15 115.087 0.013 . 1 . . . . . 37 THR N . 51355 1 353 . 1 . 1 37 37 LYS H H 1 8.393 0.005 . 1 . . . . . 38 LYS H . 51355 1 354 . 1 . 1 37 37 LYS HA H 1 4.344 0.000 . 1 . . . . . 38 LYS HA . 51355 1 355 . 1 . 1 37 37 LYS HB2 H 1 1.741 0.000 . 1 . . . . . 38 LYS HB2 . 51355 1 356 . 1 . 1 37 37 LYS HB3 H 1 1.741 0.000 . 1 . . . . . 38 LYS HB3 . 51355 1 357 . 1 . 1 37 37 LYS HG2 H 1 1.411 0.000 . 1 . . . . . 38 LYS HG2 . 51355 1 358 . 1 . 1 37 37 LYS HG3 H 1 1.411 0.000 . 1 . . . . . 38 LYS HG3 . 51355 1 359 . 1 . 1 37 37 LYS HD2 H 1 1.555 0.000 . 1 . . . . . 38 LYS HD2 . 51355 1 360 . 1 . 1 37 37 LYS HD3 H 1 1.555 0.000 . 1 . . . . . 38 LYS HD3 . 51355 1 361 . 1 . 1 37 37 LYS C C 13 176.529 0.000 . 1 . . . . . 38 LYS C . 51355 1 362 . 1 . 1 37 37 LYS CA C 13 56.467 0.000 . 1 . . . . . 38 LYS CA . 51355 1 363 . 1 . 1 37 37 LYS CB C 13 33.258 0.000 . 1 . . . . . 38 LYS CB . 51355 1 364 . 1 . 1 37 37 LYS CG C 13 24.923 0.000 . 1 . . . . . 38 LYS CG . 51355 1 365 . 1 . 1 37 37 LYS CD C 13 29.065 0.000 . 1 . . . . . 38 LYS CD . 51355 1 366 . 1 . 1 37 37 LYS CE C 13 42.315 0.000 . 1 . . . . . 38 LYS CE . 51355 1 367 . 1 . 1 37 37 LYS N N 15 124.167 0.025 . 1 . . . . . 38 LYS N . 51355 1 368 . 1 . 1 38 38 LYS H H 1 8.439 0.002 . 1 . . . . . 39 LYS H . 51355 1 369 . 1 . 1 38 38 LYS HA H 1 4.328 0.000 . 1 . . . . . 39 LYS HA . 51355 1 370 . 1 . 1 38 38 LYS HB2 H 1 1.759 0.000 . 1 . . . . . 39 LYS HB2 . 51355 1 371 . 1 . 1 38 38 LYS HB3 H 1 1.759 0.000 . 1 . . . . . 39 LYS HB3 . 51355 1 372 . 1 . 1 38 38 LYS HG2 H 1 1.441 0.000 . 1 . . . . . 39 LYS HG2 . 51355 1 373 . 1 . 1 38 38 LYS HG3 H 1 1.441 0.000 . 1 . . . . . 39 LYS HG3 . 51355 1 374 . 1 . 1 38 38 LYS HD2 H 1 1.720 0.000 . 1 . . . . . 39 LYS HD2 . 51355 1 375 . 1 . 1 38 38 LYS HD3 H 1 1.720 0.000 . 1 . . . . . 39 LYS HD3 . 51355 1 376 . 1 . 1 38 38 LYS HE2 H 1 3.230 0.000 . 1 . . . . . 39 LYS HE2 . 51355 1 377 . 1 . 1 38 38 LYS HE3 H 1 3.230 0.000 . 1 . . . . . 39 LYS HE3 . 51355 1 378 . 1 . 1 38 38 LYS C C 13 176.707 0.000 . 1 . . . . . 39 LYS C . 51355 1 379 . 1 . 1 38 38 LYS CA C 13 56.432 0.000 . 1 . . . . . 39 LYS CA . 51355 1 380 . 1 . 1 38 38 LYS CB C 13 33.271 0.000 . 1 . . . . . 39 LYS CB . 51355 1 381 . 1 . 1 38 38 LYS CG C 13 24.975 0.000 . 1 . . . . . 39 LYS CG . 51355 1 382 . 1 . 1 38 38 LYS CD C 13 29.153 0.000 . 1 . . . . . 39 LYS CD . 51355 1 383 . 1 . 1 38 38 LYS CE C 13 42.148 0.000 . 1 . . . . . 39 LYS CE . 51355 1 384 . 1 . 1 38 38 LYS N N 15 123.205 0.000 . 1 . . . . . 39 LYS N . 51355 1 385 . 1 . 1 39 39 SER H H 1 8.346 0.004 . 1 . . . . . 40 SER H . 51355 1 386 . 1 . 1 39 39 SER HA H 1 4.405 0.000 . 1 . . . . . 40 SER HA . 51355 1 387 . 1 . 1 39 39 SER HB2 H 1 3.868 0.000 . 1 . . . . . 40 SER HB2 . 51355 1 388 . 1 . 1 39 39 SER HB3 H 1 3.868 0.000 . 1 . . . . . 40 SER HB3 . 51355 1 389 . 1 . 1 39 39 SER C C 13 174.391 0.000 . 1 . . . . . 40 SER C . 51355 1 390 . 1 . 1 39 39 SER CA C 13 58.318 0.023 . 1 . . . . . 40 SER CA . 51355 1 391 . 1 . 1 39 39 SER CB C 13 64.032 0.057 . 1 . . . . . 40 SER CB . 51355 1 392 . 1 . 1 39 39 SER N N 15 117.057 0.017 . 1 . . . . . 40 SER N . 51355 1 393 . 1 . 1 40 40 ALA H H 1 8.384 0.003 . 1 . . . . . 41 ALA H . 51355 1 394 . 1 . 1 40 40 ALA HA H 1 4.263 0.000 . 1 . . . . . 41 ALA HA . 51355 1 395 . 1 . 1 40 40 ALA HB1 H 1 1.314 0.000 . 1 . . . . . 41 ALA HB1 . 51355 1 396 . 1 . 1 40 40 ALA HB2 H 1 1.314 0.000 . 1 . . . . . 41 ALA HB2 . 51355 1 397 . 1 . 1 40 40 ALA HB3 H 1 1.314 0.000 . 1 . . . . . 41 ALA HB3 . 51355 1 398 . 1 . 1 40 40 ALA C C 13 177.543 0.000 . 1 . . . . . 41 ALA C . 51355 1 399 . 1 . 1 40 40 ALA CA C 13 52.932 0.038 . 1 . . . . . 41 ALA CA . 51355 1 400 . 1 . 1 40 40 ALA CB C 13 19.324 0.000 . 1 . . . . . 41 ALA CB . 51355 1 401 . 1 . 1 40 40 ALA N N 15 125.722 0.027 . 1 . . . . . 41 ALA N . 51355 1 402 . 1 . 1 41 41 HIS H H 1 8.273 0.000 . 1 . . . . . 42 HIS H . 51355 1 403 . 1 . 1 41 41 HIS HA H 1 3.856 0.000 . 1 . . . . . 42 HIS HA . 51355 1 404 . 1 . 1 41 41 HIS HB2 H 1 3.010 0.000 . 1 . . . . . 42 HIS HB2 . 51355 1 405 . 1 . 1 41 41 HIS HB3 H 1 3.010 0.000 . 1 . . . . . 42 HIS HB3 . 51355 1 406 . 1 . 1 41 41 HIS C C 13 174.526 0.000 . 1 . . . . . 42 HIS C . 51355 1 407 . 1 . 1 41 41 HIS CA C 13 55.673 0.000 . 1 . . . . . 42 HIS CA . 51355 1 408 . 1 . 1 41 41 HIS CB C 13 29.845 0.000 . 1 . . . . . 42 HIS CB . 51355 1 409 . 1 . 1 41 41 HIS N N 15 117.340 0.000 . 1 . . . . . 42 HIS N . 51355 1 410 . 1 . 1 42 42 PHE H H 1 8.080 0.005 . 1 . . . . . 43 PHE H . 51355 1 411 . 1 . 1 42 42 PHE HA H 1 4.512 0.000 . 1 . . . . . 43 PHE HA . 51355 1 412 . 1 . 1 42 42 PHE HB2 H 1 2.970 0.000 . 1 . . . . . 43 PHE HB2 . 51355 1 413 . 1 . 1 42 42 PHE HB3 H 1 2.970 0.000 . 1 . . . . . 43 PHE HB3 . 51355 1 414 . 1 . 1 42 42 PHE C C 13 175.213 0.000 . 1 . . . . . 43 PHE C . 51355 1 415 . 1 . 1 42 42 PHE CA C 13 57.949 0.000 . 1 . . . . . 43 PHE CA . 51355 1 416 . 1 . 1 42 42 PHE CB C 13 39.615 0.000 . 1 . . . . . 43 PHE CB . 51355 1 417 . 1 . 1 42 42 PHE N N 15 121.221 0.009 . 1 . . . . . 43 PHE N . 51355 1 418 . 1 . 1 43 43 PHE H H 1 8.129 0.003 . 1 . . . . . 44 PHE H . 51355 1 419 . 1 . 1 43 43 PHE HA H 1 4.538 0.000 . 1 . . . . . 44 PHE HA . 51355 1 420 . 1 . 1 43 43 PHE HB2 H 1 3.030 0.000 . 1 . . . . . 44 PHE HB2 . 51355 1 421 . 1 . 1 43 43 PHE HB3 H 1 3.030 0.000 . 1 . . . . . 44 PHE HB3 . 51355 1 422 . 1 . 1 43 43 PHE C C 13 175.092 0.011 . 1 . . . . . 44 PHE C . 51355 1 423 . 1 . 1 43 43 PHE CA C 13 57.860 0.038 . 1 . . . . . 44 PHE CA . 51355 1 424 . 1 . 1 43 43 PHE CB C 13 39.723 0.043 . 1 . . . . . 44 PHE CB . 51355 1 425 . 1 . 1 43 43 PHE N N 15 121.355 0.037 . 1 . . . . . 44 PHE N . 51355 1 426 . 1 . 1 44 44 LEU H H 1 8.031 0.003 . 1 . . . . . 45 LEU H . 51355 1 427 . 1 . 1 44 44 LEU HA H 1 4.246 0.000 . 1 . . . . . 45 LEU HA . 51355 1 428 . 1 . 1 44 44 LEU HB2 H 1 1.490 0.000 . 2 . . . . . 45 LEU HB2 . 51355 1 429 . 1 . 1 44 44 LEU HB3 H 1 1.566 0.000 . 2 . . . . . 45 LEU HB3 . 51355 1 430 . 1 . 1 44 44 LEU HG H 1 1.528 0.000 . 1 . . . . . 45 LEU HG . 51355 1 431 . 1 . 1 44 44 LEU HD11 H 1 0.901 0.000 . 1 . . . . . 45 LEU HD11 . 51355 1 432 . 1 . 1 44 44 LEU HD12 H 1 0.901 0.000 . 1 . . . . . 45 LEU HD12 . 51355 1 433 . 1 . 1 44 44 LEU HD13 H 1 0.901 0.000 . 1 . . . . . 45 LEU HD13 . 51355 1 434 . 1 . 1 44 44 LEU HD21 H 1 0.901 0.000 . 1 . . . . . 45 LEU HD21 . 51355 1 435 . 1 . 1 44 44 LEU HD22 H 1 0.901 0.000 . 1 . . . . . 45 LEU HD22 . 51355 1 436 . 1 . 1 44 44 LEU HD23 H 1 0.901 0.000 . 1 . . . . . 45 LEU HD23 . 51355 1 437 . 1 . 1 44 44 LEU C C 13 176.861 0.028 . 1 . . . . . 45 LEU C . 51355 1 438 . 1 . 1 44 44 LEU CA C 13 55.214 0.006 . 1 . . . . . 45 LEU CA . 51355 1 439 . 1 . 1 44 44 LEU CB C 13 42.802 0.096 . 1 . . . . . 45 LEU CB . 51355 1 440 . 1 . 1 44 44 LEU CG C 13 27.081 0.000 . 1 . . . . . 45 LEU CG . 51355 1 441 . 1 . 1 44 44 LEU CD1 C 13 24.859 0.000 . 1 . . . . . 45 LEU CD1 . 51355 1 442 . 1 . 1 44 44 LEU CD2 C 13 24.859 0.000 . 1 . . . . . 45 LEU CD2 . 51355 1 443 . 1 . 1 44 44 LEU N N 15 123.413 0.020 . 1 . . . . . 45 LEU N . 51355 1 444 . 1 . 1 45 45 GLU H H 1 8.351 0.004 . 1 . . . . . 46 GLU H . 51355 1 445 . 1 . 1 45 45 GLU HA H 1 4.272 0.000 . 1 . . . . . 46 GLU HA . 51355 1 446 . 1 . 1 45 45 GLU HB2 H 1 2.006 0.000 . 1 . . . . . 46 GLU HB2 . 51355 1 447 . 1 . 1 45 45 GLU HB3 H 1 2.006 0.000 . 1 . . . . . 46 GLU HB3 . 51355 1 448 . 1 . 1 45 45 GLU HG2 H 1 2.212 0.000 . 1 . . . . . 46 GLU HG2 . 51355 1 449 . 1 . 1 45 45 GLU HG3 H 1 2.212 0.000 . 1 . . . . . 46 GLU HG3 . 51355 1 450 . 1 . 1 45 45 GLU C C 13 176.414 0.006 . 1 . . . . . 46 GLU C . 51355 1 451 . 1 . 1 45 45 GLU CA C 13 56.763 0.031 . 1 . . . . . 46 GLU CA . 51355 1 452 . 1 . 1 45 45 GLU CB C 13 30.156 0.016 . 1 . . . . . 46 GLU CB . 51355 1 453 . 1 . 1 45 45 GLU CG C 13 36.383 0.000 . 1 . . . . . 46 GLU CG . 51355 1 454 . 1 . 1 45 45 GLU N N 15 122.020 0.026 . 1 . . . . . 46 GLU N . 51355 1 455 . 1 . 1 46 46 ILE H H 1 8.112 0.002 . 1 . . . . . 47 ILE H . 51355 1 456 . 1 . 1 46 46 ILE HA H 1 4.173 0.000 . 1 . . . . . 47 ILE HA . 51355 1 457 . 1 . 1 46 46 ILE HB H 1 1.820 0.000 . 1 . . . . . 47 ILE HB . 51355 1 458 . 1 . 1 46 46 ILE HG12 H 1 1.403 0.000 . 1 . . . . . 47 ILE HG12 . 51355 1 459 . 1 . 1 46 46 ILE HG13 H 1 1.403 0.000 . 1 . . . . . 47 ILE HG13 . 51355 1 460 . 1 . 1 46 46 ILE HG21 H 1 0.882 0.000 . 1 . . . . . 47 ILE HG21 . 51355 1 461 . 1 . 1 46 46 ILE HG22 H 1 0.882 0.000 . 1 . . . . . 47 ILE HG22 . 51355 1 462 . 1 . 1 46 46 ILE HG23 H 1 0.882 0.000 . 1 . . . . . 47 ILE HG23 . 51355 1 463 . 1 . 1 46 46 ILE HD11 H 1 0.882 0.000 . 1 . . . . . 47 ILE HD11 . 51355 1 464 . 1 . 1 46 46 ILE HD12 H 1 0.882 0.000 . 1 . . . . . 47 ILE HD12 . 51355 1 465 . 1 . 1 46 46 ILE HD13 H 1 0.882 0.000 . 1 . . . . . 47 ILE HD13 . 51355 1 466 . 1 . 1 46 46 ILE C C 13 176.278 0.007 . 1 . . . . . 47 ILE C . 51355 1 467 . 1 . 1 46 46 ILE CA C 13 61.137 0.009 . 1 . . . . . 47 ILE CA . 51355 1 468 . 1 . 1 46 46 ILE CB C 13 38.987 0.040 . 1 . . . . . 47 ILE CB . 51355 1 469 . 1 . 1 46 46 ILE CG1 C 13 27.244 0.000 . 1 . . . . . 47 ILE CG1 . 51355 1 470 . 1 . 1 46 46 ILE CG2 C 13 17.809 0.000 . 1 . . . . . 47 ILE CG2 . 51355 1 471 . 1 . 1 46 46 ILE CD1 C 13 13.217 0.000 . 1 . . . . . 47 ILE CD1 . 51355 1 472 . 1 . 1 46 46 ILE N N 15 121.255 0.019 . 1 . . . . . 47 ILE N . 51355 1 473 . 1 . 1 47 47 GLU H H 1 8.503 0.003 . 1 . . . . . 48 GLU H . 51355 1 474 . 1 . 1 47 47 GLU HA H 1 4.254 0.000 . 1 . . . . . 48 GLU HA . 51355 1 475 . 1 . 1 47 47 GLU HB2 H 1 1.991 0.000 . 1 . . . . . 48 GLU HB2 . 51355 1 476 . 1 . 1 47 47 GLU HB3 H 1 1.991 0.000 . 1 . . . . . 48 GLU HB3 . 51355 1 477 . 1 . 1 47 47 GLU HG2 H 1 2.242 0.000 . 1 . . . . . 48 GLU HG2 . 51355 1 478 . 1 . 1 47 47 GLU HG3 H 1 2.242 0.000 . 1 . . . . . 48 GLU HG3 . 51355 1 479 . 1 . 1 47 47 GLU C C 13 176.949 0.009 . 1 . . . . . 48 GLU C . 51355 1 480 . 1 . 1 47 47 GLU CA C 13 57.109 0.025 . 1 . . . . . 48 GLU CA . 51355 1 481 . 1 . 1 47 47 GLU CB C 13 30.234 0.016 . 1 . . . . . 48 GLU CB . 51355 1 482 . 1 . 1 47 47 GLU CG C 13 36.398 0.000 . 1 . . . . . 48 GLU CG . 51355 1 483 . 1 . 1 47 47 GLU N N 15 125.027 0.013 . 1 . . . . . 48 GLU N . 51355 1 484 . 1 . 1 48 48 GLY H H 1 8.462 0.002 . 1 . . . . . 49 GLY H . 51355 1 485 . 1 . 1 48 48 GLY HA2 H 1 3.922 0.000 . 1 . . . . . 49 GLY HA2 . 51355 1 486 . 1 . 1 48 48 GLY HA3 H 1 3.922 0.000 . 1 . . . . . 49 GLY HA3 . 51355 1 487 . 1 . 1 48 48 GLY C C 13 173.740 0.003 . 1 . . . . . 49 GLY C . 51355 1 488 . 1 . 1 48 48 GLY CA C 13 45.320 0.018 . 1 . . . . . 49 GLY CA . 51355 1 489 . 1 . 1 48 48 GLY N N 15 110.370 0.010 . 1 . . . . . 49 GLY N . 51355 1 490 . 1 . 1 49 49 PHE H H 1 8.065 0.002 . 1 . . . . . 50 PHE H . 51355 1 491 . 1 . 1 49 49 PHE HA H 1 4.605 0.000 . 1 . . . . . 50 PHE HA . 51355 1 492 . 1 . 1 49 49 PHE HB2 H 1 3.049 0.000 . 1 . . . . . 50 PHE HB2 . 51355 1 493 . 1 . 1 49 49 PHE HB3 H 1 3.049 0.000 . 1 . . . . . 50 PHE HB3 . 51355 1 494 . 1 . 1 49 49 PHE C C 13 175.213 0.005 . 1 . . . . . 50 PHE C . 51355 1 495 . 1 . 1 49 49 PHE CA C 13 57.664 0.015 . 1 . . . . . 50 PHE CA . 51355 1 496 . 1 . 1 49 49 PHE CB C 13 40.038 0.030 . 1 . . . . . 50 PHE CB . 51355 1 497 . 1 . 1 49 49 PHE N N 15 119.979 0.015 . 1 . . . . . 50 PHE N . 51355 1 498 . 1 . 1 50 50 GLU H H 1 8.317 0.003 . 1 . . . . . 51 GLU H . 51355 1 499 . 1 . 1 50 50 GLU HA H 1 4.574 0.000 . 1 . . . . . 51 GLU HA . 51355 1 500 . 1 . 1 50 50 GLU HB2 H 1 1.882 0.000 . 1 . . . . . 51 GLU HB2 . 51355 1 501 . 1 . 1 50 50 GLU HB3 H 1 1.882 0.000 . 1 . . . . . 51 GLU HB3 . 51355 1 502 . 1 . 1 50 50 GLU HG2 H 1 2.206 0.000 . 1 . . . . . 51 GLU HG2 . 51355 1 503 . 1 . 1 50 50 GLU HG3 H 1 2.206 0.000 . 1 . . . . . 51 GLU HG3 . 51355 1 504 . 1 . 1 50 50 GLU C C 13 173.983 0.000 . 1 . . . . . 51 GLU C . 51355 1 505 . 1 . 1 50 50 GLU CA C 13 53.742 0.010 . 1 . . . . . 51 GLU CA . 51355 1 506 . 1 . 1 50 50 GLU CB C 13 30.381 0.000 . 1 . . . . . 51 GLU CB . 51355 1 507 . 1 . 1 50 50 GLU N N 15 124.803 0.026 . 1 . . . . . 51 GLU N . 51355 1 508 . 1 . 1 51 51 PRO C C 13 176.488 0.020 . 1 . . . . . 52 PRO C . 51355 1 509 . 1 . 1 51 51 PRO CA C 13 63.131 0.012 . 1 . . . . . 52 PRO CA . 51355 1 510 . 1 . 1 51 51 PRO CB C 13 32.074 0.000 . 1 . . . . . 52 PRO CB . 51355 1 511 . 1 . 1 51 51 PRO CG C 13 27.246 0.000 . 1 . . . . . 52 PRO CG . 51355 1 512 . 1 . 1 51 51 PRO CD C 13 50.797 0.000 . 1 . . . . . 52 PRO CD . 51355 1 513 . 1 . 1 52 52 ASN H H 1 8.622 0.003 . 1 . . . . . 53 ASN H . 51355 1 514 . 1 . 1 52 52 ASN HA H 1 4.956 0.000 . 1 . . . . . 53 ASN HA . 51355 1 515 . 1 . 1 52 52 ASN HB2 H 1 2.705 0.000 . 1 . . . . . 53 ASN HB2 . 51355 1 516 . 1 . 1 52 52 ASN HB3 H 1 2.705 0.000 . 1 . . . . . 53 ASN HB3 . 51355 1 517 . 1 . 1 52 52 ASN C C 13 173.454 0.000 . 1 . . . . . 53 ASN C . 51355 1 518 . 1 . 1 52 52 ASN CA C 13 51.324 0.021 . 1 . . . . . 53 ASN CA . 51355 1 519 . 1 . 1 52 52 ASN CB C 13 38.956 0.000 . 1 . . . . . 53 ASN CB . 51355 1 520 . 1 . 1 52 52 ASN N N 15 119.469 0.021 . 1 . . . . . 53 ASN N . 51355 1 521 . 1 . 1 53 53 PRO C C 13 177.325 0.007 . 1 . . . . . 54 PRO C . 51355 1 522 . 1 . 1 53 53 PRO CA C 13 63.655 0.033 . 1 . . . . . 54 PRO CA . 51355 1 523 . 1 . 1 53 53 PRO CB C 13 32.269 0.000 . 1 . . . . . 54 PRO CB . 51355 1 524 . 1 . 1 53 53 PRO CG C 13 27.217 0.000 . 1 . . . . . 54 PRO CG . 51355 1 525 . 1 . 1 53 53 PRO CD C 13 50.847 0.000 . 1 . . . . . 54 PRO CD . 51355 1 526 . 1 . 1 54 54 THR H H 1 8.339 0.003 . 1 . . . . . 55 THR H . 51355 1 527 . 1 . 1 54 54 THR HA H 1 4.319 0.000 . 1 . . . . . 55 THR HA . 51355 1 528 . 1 . 1 54 54 THR HB H 1 4.257 0.000 . 1 . . . . . 55 THR HB . 51355 1 529 . 1 . 1 54 54 THR HG21 H 1 1.222 0.000 . 1 . . . . . 55 THR HG21 . 51355 1 530 . 1 . 1 54 54 THR HG22 H 1 1.222 0.000 . 1 . . . . . 55 THR HG22 . 51355 1 531 . 1 . 1 54 54 THR HG23 H 1 1.222 0.000 . 1 . . . . . 55 THR HG23 . 51355 1 532 . 1 . 1 54 54 THR C C 13 174.797 0.009 . 1 . . . . . 55 THR C . 51355 1 533 . 1 . 1 54 54 THR CA C 13 62.562 0.051 . 1 . . . . . 55 THR CA . 51355 1 534 . 1 . 1 54 54 THR CB C 13 69.720 0.047 . 1 . . . . . 55 THR CB . 51355 1 535 . 1 . 1 54 54 THR CG2 C 13 21.865 0.000 . 1 . . . . . 55 THR CG2 . 51355 1 536 . 1 . 1 54 54 THR N N 15 114.504 0.010 . 1 . . . . . 55 THR N . 51355 1 537 . 1 . 1 55 55 VAL H H 1 8.016 0.002 . 1 . . . . . 56 VAL H . 51355 1 538 . 1 . 1 55 55 VAL HA H 1 4.130 0.000 . 1 . . . . . 56 VAL HA . 51355 1 539 . 1 . 1 55 55 VAL HB H 1 2.085 0.000 . 1 . . . . . 56 VAL HB . 51355 1 540 . 1 . 1 55 55 VAL HG11 H 1 0.941 0.000 . 1 . . . . . 56 VAL HG11 . 51355 1 541 . 1 . 1 55 55 VAL HG12 H 1 0.941 0.000 . 1 . . . . . 56 VAL HG12 . 51355 1 542 . 1 . 1 55 55 VAL HG13 H 1 0.941 0.000 . 1 . . . . . 56 VAL HG13 . 51355 1 543 . 1 . 1 55 55 VAL HG21 H 1 0.941 0.000 . 1 . . . . . 56 VAL HG21 . 51355 1 544 . 1 . 1 55 55 VAL HG22 H 1 0.941 0.000 . 1 . . . . . 56 VAL HG22 . 51355 1 545 . 1 . 1 55 55 VAL HG23 H 1 0.941 0.000 . 1 . . . . . 56 VAL HG23 . 51355 1 546 . 1 . 1 55 55 VAL C C 13 175.769 0.011 . 1 . . . . . 56 VAL C . 51355 1 547 . 1 . 1 55 55 VAL CA C 13 62.289 0.064 . 1 . . . . . 56 VAL CA . 51355 1 548 . 1 . 1 55 55 VAL CB C 13 32.835 0.013 . 1 . . . . . 56 VAL CB . 51355 1 549 . 1 . 1 55 55 VAL CG1 C 13 20.671 0.000 . 2 . . . . . 56 VAL CG1 . 51355 1 550 . 1 . 1 55 55 VAL CG2 C 13 21.152 0.000 . 2 . . . . . 56 VAL CG2 . 51355 1 551 . 1 . 1 55 55 VAL N N 15 122.501 0.032 . 1 . . . . . 56 VAL N . 51355 1 552 . 1 . 1 56 56 ALA H H 1 8.391 0.002 . 1 . . . . . 57 ALA H . 51355 1 553 . 1 . 1 56 56 ALA HA H 1 4.328 0.000 . 1 . . . . . 57 ALA HA . 51355 1 554 . 1 . 1 56 56 ALA HB1 H 1 1.391 0.000 . 1 . . . . . 57 ALA HB1 . 51355 1 555 . 1 . 1 56 56 ALA HB2 H 1 1.391 0.000 . 1 . . . . . 57 ALA HB2 . 51355 1 556 . 1 . 1 56 56 ALA HB3 H 1 1.391 0.000 . 1 . . . . . 57 ALA HB3 . 51355 1 557 . 1 . 1 56 56 ALA C C 13 177.697 0.023 . 1 . . . . . 57 ALA C . 51355 1 558 . 1 . 1 56 56 ALA CA C 13 52.525 0.018 . 1 . . . . . 57 ALA CA . 51355 1 559 . 1 . 1 56 56 ALA CB C 13 19.389 0.027 . 1 . . . . . 57 ALA CB . 51355 1 560 . 1 . 1 56 56 ALA N N 15 127.901 0.026 . 1 . . . . . 57 ALA N . 51355 1 561 . 1 . 1 57 57 LYS H H 1 8.398 0.002 . 1 . . . . . 58 LYS H . 51355 1 562 . 1 . 1 57 57 LYS HA H 1 4.259 0.000 . 1 . . . . . 58 LYS HA . 51355 1 563 . 1 . 1 57 57 LYS HB2 H 1 1.817 0.000 . 1 . . . . . 58 LYS HB2 . 51355 1 564 . 1 . 1 57 57 LYS HB3 H 1 1.817 0.000 . 1 . . . . . 58 LYS HB3 . 51355 1 565 . 1 . 1 57 57 LYS HG2 H 1 1.504 0.000 . 1 . . . . . 58 LYS HG2 . 51355 1 566 . 1 . 1 57 57 LYS HG3 H 1 1.504 0.000 . 1 . . . . . 58 LYS HG3 . 51355 1 567 . 1 . 1 57 57 LYS HD2 H 1 1.712 0.000 . 1 . . . . . 58 LYS HD2 . 51355 1 568 . 1 . 1 57 57 LYS HD3 H 1 1.712 0.000 . 1 . . . . . 58 LYS HD3 . 51355 1 569 . 1 . 1 57 57 LYS C C 13 176.865 0.009 . 1 . . . . . 58 LYS C . 51355 1 570 . 1 . 1 57 57 LYS CA C 13 56.356 0.029 . 1 . . . . . 58 LYS CA . 51355 1 571 . 1 . 1 57 57 LYS CB C 13 33.199 0.025 . 1 . . . . . 58 LYS CB . 51355 1 572 . 1 . 1 57 57 LYS CG C 13 25.073 0.000 . 1 . . . . . 58 LYS CG . 51355 1 573 . 1 . 1 57 57 LYS CD C 13 29.020 0.000 . 1 . . . . . 58 LYS CD . 51355 1 574 . 1 . 1 57 57 LYS CE C 13 42.213 0.000 . 1 . . . . . 58 LYS CE . 51355 1 575 . 1 . 1 57 57 LYS N N 15 121.143 0.029 . 1 . . . . . 58 LYS N . 51355 1 576 . 1 . 1 58 58 THR H H 1 8.198 0.003 . 1 . . . . . 59 THR H . 51355 1 577 . 1 . 1 58 58 THR HA H 1 4.422 0.000 . 1 . . . . . 59 THR HA . 51355 1 578 . 1 . 1 58 58 THR HB H 1 4.332 0.000 . 1 . . . . . 59 THR HB . 51355 1 579 . 1 . 1 58 58 THR HG21 H 1 1.220 0.000 . 1 . . . . . 59 THR HG21 . 51355 1 580 . 1 . 1 58 58 THR HG22 H 1 1.220 0.000 . 1 . . . . . 59 THR HG22 . 51355 1 581 . 1 . 1 58 58 THR HG23 H 1 1.220 0.000 . 1 . . . . . 59 THR HG23 . 51355 1 582 . 1 . 1 58 58 THR C C 13 174.389 0.012 . 1 . . . . . 59 THR C . 51355 1 583 . 1 . 1 58 58 THR CA C 13 61.654 0.063 . 1 . . . . . 59 THR CA . 51355 1 584 . 1 . 1 58 58 THR CB C 13 70.045 0.018 . 1 . . . . . 59 THR CB . 51355 1 585 . 1 . 1 58 58 THR CG2 C 13 21.764 0.000 . 1 . . . . . 59 THR CG2 . 51355 1 586 . 1 . 1 58 58 THR N N 15 115.174 0.022 . 1 . . . . . 59 THR N . 51355 1 587 . 1 . 1 59 59 SER H H 1 8.419 0.004 . 1 . . . . . 60 SER H . 51355 1 588 . 1 . 1 59 59 SER HA H 1 4.323 0.000 . 1 . . . . . 60 SER HA . 51355 1 589 . 1 . 1 59 59 SER HB2 H 1 3.837 0.000 . 1 . . . . . 60 SER HB2 . 51355 1 590 . 1 . 1 59 59 SER HB3 H 1 3.837 0.000 . 1 . . . . . 60 SER HB3 . 51355 1 591 . 1 . 1 59 59 SER CA C 13 56.632 0.029 . 1 . . . . . 60 SER CA . 51355 1 592 . 1 . 1 59 59 SER CB C 13 63.292 0.000 . 1 . . . . . 60 SER CB . 51355 1 593 . 1 . 1 59 59 SER N N 15 119.938 0.021 . 1 . . . . . 60 SER N . 51355 1 594 . 1 . 1 61 61 PRO C C 13 176.614 0.041 . 1 . . . . . 62 PRO C . 51355 1 595 . 1 . 1 61 61 PRO CA C 13 62.935 0.002 . 1 . . . . . 62 PRO CA . 51355 1 596 . 1 . 1 61 61 PRO CB C 13 32.132 0.000 . 1 . . . . . 62 PRO CB . 51355 1 597 . 1 . 1 61 61 PRO CG C 13 27.502 0.000 . 1 . . . . . 62 PRO CG . 51355 1 598 . 1 . 1 61 61 PRO CD C 13 50.544 0.000 . 1 . . . . . 62 PRO CD . 51355 1 599 . 1 . 1 62 62 VAL H H 1 8.170 0.003 . 1 . . . . . 63 VAL H . 51355 1 600 . 1 . 1 62 62 VAL HA H 1 4.102 0.000 . 1 . . . . . 63 VAL HA . 51355 1 601 . 1 . 1 62 62 VAL HB H 1 1.938 0.000 . 1 . . . . . 63 VAL HB . 51355 1 602 . 1 . 1 62 62 VAL HG11 H 1 0.894 0.000 . 1 . . . . . 63 VAL HG11 . 51355 1 603 . 1 . 1 62 62 VAL HG12 H 1 0.894 0.000 . 1 . . . . . 63 VAL HG12 . 51355 1 604 . 1 . 1 62 62 VAL HG13 H 1 0.894 0.000 . 1 . . . . . 63 VAL HG13 . 51355 1 605 . 1 . 1 62 62 VAL HG21 H 1 0.894 0.000 . 1 . . . . . 63 VAL HG21 . 51355 1 606 . 1 . 1 62 62 VAL HG22 H 1 0.894 0.000 . 1 . . . . . 63 VAL HG22 . 51355 1 607 . 1 . 1 62 62 VAL HG23 H 1 0.894 0.000 . 1 . . . . . 63 VAL HG23 . 51355 1 608 . 1 . 1 62 62 VAL C C 13 175.963 0.000 . 1 . . . . . 63 VAL C . 51355 1 609 . 1 . 1 62 62 VAL CA C 13 62.223 0.032 . 1 . . . . . 63 VAL CA . 51355 1 610 . 1 . 1 62 62 VAL CB C 13 33.100 0.015 . 1 . . . . . 63 VAL CB . 51355 1 611 . 1 . 1 62 62 VAL CG1 C 13 20.677 0.000 . 2 . . . . . 63 VAL CG1 . 51355 1 612 . 1 . 1 62 62 VAL CG2 C 13 21.207 0.000 . 2 . . . . . 63 VAL CG2 . 51355 1 613 . 1 . 1 62 62 VAL N N 15 120.112 0.012 . 1 . . . . . 63 VAL N . 51355 1 614 . 1 . 1 63 63 PHE H H 1 8.387 0.003 . 1 . . . . . 64 PHE H . 51355 1 615 . 1 . 1 63 63 PHE HA H 1 4.736 0.000 . 1 . . . . . 64 PHE HA . 51355 1 616 . 1 . 1 63 63 PHE HB2 H 1 3.085 0.000 . 1 . . . . . 64 PHE HB2 . 51355 1 617 . 1 . 1 63 63 PHE HB3 H 1 3.085 0.000 . 1 . . . . . 64 PHE HB3 . 51355 1 618 . 1 . 1 63 63 PHE C C 13 175.610 0.000 . 1 . . . . . 64 PHE C . 51355 1 619 . 1 . 1 63 63 PHE CA C 13 57.487 0.016 . 1 . . . . . 64 PHE CA . 51355 1 620 . 1 . 1 63 63 PHE CB C 13 39.978 0.052 . 1 . . . . . 64 PHE CB . 51355 1 621 . 1 . 1 63 63 PHE N N 15 124.133 0.013 . 1 . . . . . 64 PHE N . 51355 1 622 . 1 . 1 64 64 SER H H 1 8.261 0.003 . 1 . . . . . 65 SER H . 51355 1 623 . 1 . 1 64 64 SER HA H 1 4.439 0.000 . 1 . . . . . 65 SER HA . 51355 1 624 . 1 . 1 64 64 SER HB2 H 1 3.806 0.000 . 1 . . . . . 65 SER HB2 . 51355 1 625 . 1 . 1 64 64 SER HB3 H 1 3.806 0.000 . 1 . . . . . 65 SER HB3 . 51355 1 626 . 1 . 1 64 64 SER C C 13 173.632 0.000 . 1 . . . . . 65 SER C . 51355 1 627 . 1 . 1 64 64 SER CA C 13 57.994 0.094 . 1 . . . . . 65 SER CA . 51355 1 628 . 1 . 1 64 64 SER CB C 13 64.077 0.023 . 1 . . . . . 65 SER CB . 51355 1 629 . 1 . 1 64 64 SER N N 15 118.280 0.024 . 1 . . . . . 65 SER N . 51355 1 630 . 1 . 1 65 65 LYS H H 1 8.321 0.004 . 1 . . . . . 66 LYS H . 51355 1 631 . 1 . 1 65 65 LYS HA H 1 4.586 0.000 . 1 . . . . . 66 LYS HA . 51355 1 632 . 1 . 1 65 65 LYS HB2 H 1 1.772 0.000 . 1 . . . . . 66 LYS HB2 . 51355 1 633 . 1 . 1 65 65 LYS HB3 H 1 1.772 0.000 . 1 . . . . . 66 LYS HB3 . 51355 1 634 . 1 . 1 65 65 LYS HG2 H 1 1.453 0.000 . 1 . . . . . 66 LYS HG2 . 51355 1 635 . 1 . 1 65 65 LYS HG3 H 1 1.453 0.000 . 1 . . . . . 66 LYS HG3 . 51355 1 636 . 1 . 1 65 65 LYS HD2 H 1 1.618 0.000 . 1 . . . . . 66 LYS HD2 . 51355 1 637 . 1 . 1 65 65 LYS HD3 H 1 1.618 0.000 . 1 . . . . . 66 LYS HD3 . 51355 1 638 . 1 . 1 65 65 LYS HE2 H 1 3.018 0.000 . 1 . . . . . 66 LYS HE2 . 51355 1 639 . 1 . 1 65 65 LYS HE3 H 1 3.018 0.000 . 1 . . . . . 66 LYS HE3 . 51355 1 640 . 1 . 1 65 65 LYS C C 13 174.492 0.000 . 1 . . . . . 66 LYS C . 51355 1 641 . 1 . 1 65 65 LYS CA C 13 54.413 0.012 . 1 . . . . . 66 LYS CA . 51355 1 642 . 1 . 1 65 65 LYS CB C 13 32.724 0.000 . 1 . . . . . 66 LYS CB . 51355 1 643 . 1 . 1 65 65 LYS N N 15 124.434 0.016 . 1 . . . . . 66 LYS N . 51355 1 644 . 1 . 1 66 66 PRO C C 13 177.123 0.016 . 1 . . . . . 67 PRO C . 51355 1 645 . 1 . 1 66 66 PRO CA C 13 63.390 0.042 . 1 . . . . . 67 PRO CA . 51355 1 646 . 1 . 1 66 66 PRO CB C 13 32.178 0.041 . 1 . . . . . 67 PRO CB . 51355 1 647 . 1 . 1 66 66 PRO CG C 13 27.634 0.000 . 1 . . . . . 67 PRO CG . 51355 1 648 . 1 . 1 66 66 PRO CD C 13 50.789 0.000 . 1 . . . . . 67 PRO CD . 51355 1 649 . 1 . 1 67 67 MET H H 1 8.570 0.005 . 1 . . . . . 68 MET H . 51355 1 650 . 1 . 1 67 67 MET HA H 1 4.277 0.000 . 1 . . . . . 68 MET HA . 51355 1 651 . 1 . 1 67 67 MET HB2 H 1 2.090 0.000 . 1 . . . . . 68 MET HB2 . 51355 1 652 . 1 . 1 67 67 MET HB3 H 1 2.090 0.000 . 1 . . . . . 68 MET HB3 . 51355 1 653 . 1 . 1 67 67 MET HG2 H 1 2.491 0.000 . 1 . . . . . 68 MET HG2 . 51355 1 654 . 1 . 1 67 67 MET HG3 H 1 2.491 0.000 . 1 . . . . . 68 MET HG3 . 51355 1 655 . 1 . 1 67 67 MET C C 13 176.195 0.038 . 1 . . . . . 68 MET C . 51355 1 656 . 1 . 1 67 67 MET CA C 13 55.643 0.036 . 1 . . . . . 68 MET CA . 51355 1 657 . 1 . 1 67 67 MET CB C 13 33.142 0.007 . 1 . . . . . 68 MET CB . 51355 1 658 . 1 . 1 67 67 MET CG C 13 32.088 0.000 . 1 . . . . . 68 MET CG . 51355 1 659 . 1 . 1 67 67 MET N N 15 120.803 0.011 . 1 . . . . . 68 MET N . 51355 1 660 . 1 . 1 68 68 ASP H H 1 8.377 0.004 . 1 . . . . . 69 ASP H . 51355 1 661 . 1 . 1 68 68 ASP HA H 1 4.631 0.000 . 1 . . . . . 69 ASP HA . 51355 1 662 . 1 . 1 68 68 ASP HB2 H 1 2.693 0.000 . 1 . . . . . 69 ASP HB2 . 51355 1 663 . 1 . 1 68 68 ASP HB3 H 1 2.693 0.000 . 1 . . . . . 69 ASP HB3 . 51355 1 664 . 1 . 1 68 68 ASP C C 13 176.500 0.053 . 1 . . . . . 69 ASP C . 51355 1 665 . 1 . 1 68 68 ASP CA C 13 54.499 0.042 . 1 . . . . . 69 ASP CA . 51355 1 666 . 1 . 1 68 68 ASP CB C 13 41.438 0.011 . 1 . . . . . 69 ASP CB . 51355 1 667 . 1 . 1 68 68 ASP N N 15 121.852 0.018 . 1 . . . . . 69 ASP N . 51355 1 668 . 1 . 1 69 69 SER H H 1 8.354 0.002 . 1 . . . . . 70 SER H . 51355 1 669 . 1 . 1 69 69 SER HA H 1 4.412 0.000 . 1 . . . . . 70 SER HA . 51355 1 670 . 1 . 1 69 69 SER HB2 H 1 3.903 0.000 . 1 . . . . . 70 SER HB2 . 51355 1 671 . 1 . 1 69 69 SER HB3 H 1 3.903 0.000 . 1 . . . . . 70 SER HB3 . 51355 1 672 . 1 . 1 69 69 SER C C 13 174.629 0.011 . 1 . . . . . 70 SER C . 51355 1 673 . 1 . 1 69 69 SER CA C 13 58.937 0.089 . 1 . . . . . 70 SER CA . 51355 1 674 . 1 . 1 69 69 SER CB C 13 63.739 0.051 . 1 . . . . . 70 SER CB . 51355 1 675 . 1 . 1 69 69 SER N N 15 116.412 0.009 . 1 . . . . . 70 SER N . 51355 1 676 . 1 . 1 70 70 ASN H H 1 8.581 0.004 . 1 . . . . . 71 ASN H . 51355 1 677 . 1 . 1 70 70 ASN HA H 1 4.765 0.000 . 1 . . . . . 71 ASN HA . 51355 1 678 . 1 . 1 70 70 ASN HB2 H 1 2.799 0.000 . 1 . . . . . 71 ASN HB2 . 51355 1 679 . 1 . 1 70 70 ASN HB3 H 1 2.799 0.000 . 1 . . . . . 71 ASN HB3 . 51355 1 680 . 1 . 1 70 70 ASN C C 13 175.349 0.037 . 1 . . . . . 71 ASN C . 51355 1 681 . 1 . 1 70 70 ASN CA C 13 53.710 0.036 . 1 . . . . . 71 ASN CA . 51355 1 682 . 1 . 1 70 70 ASN CB C 13 38.770 0.000 . 1 . . . . . 71 ASN CB . 51355 1 683 . 1 . 1 70 70 ASN N N 15 120.664 0.026 . 1 . . . . . 71 ASN N . 51355 1 684 . 1 . 1 71 71 ILE H H 1 7.991 0.002 . 1 . . . . . 72 ILE H . 51355 1 685 . 1 . 1 71 71 ILE HA H 1 4.146 0.000 . 1 . . . . . 72 ILE HA . 51355 1 686 . 1 . 1 71 71 ILE HB H 1 1.893 0.000 . 1 . . . . . 72 ILE HB . 51355 1 687 . 1 . 1 71 71 ILE HG12 H 1 1.345 0.000 . 1 . . . . . 72 ILE HG12 . 51355 1 688 . 1 . 1 71 71 ILE HG13 H 1 1.345 0.000 . 1 . . . . . 72 ILE HG13 . 51355 1 689 . 1 . 1 71 71 ILE HG21 H 1 0.901 0.000 . 1 . . . . . 72 ILE HG21 . 51355 1 690 . 1 . 1 71 71 ILE HG22 H 1 0.901 0.000 . 1 . . . . . 72 ILE HG22 . 51355 1 691 . 1 . 1 71 71 ILE HG23 H 1 0.901 0.000 . 1 . . . . . 72 ILE HG23 . 51355 1 692 . 1 . 1 71 71 ILE HD11 H 1 0.901 0.000 . 1 . . . . . 72 ILE HD11 . 51355 1 693 . 1 . 1 71 71 ILE HD12 H 1 0.901 0.000 . 1 . . . . . 72 ILE HD12 . 51355 1 694 . 1 . 1 71 71 ILE HD13 H 1 0.901 0.000 . 1 . . . . . 72 ILE HD13 . 51355 1 695 . 1 . 1 71 71 ILE C C 13 176.346 0.013 . 1 . . . . . 72 ILE C . 51355 1 696 . 1 . 1 71 71 ILE CA C 13 61.535 0.025 . 1 . . . . . 72 ILE CA . 51355 1 697 . 1 . 1 71 71 ILE CB C 13 38.562 0.010 . 1 . . . . . 72 ILE CB . 51355 1 698 . 1 . 1 71 71 ILE CG1 C 13 27.368 0.000 . 1 . . . . . 72 ILE CG1 . 51355 1 699 . 1 . 1 71 71 ILE CG2 C 13 17.613 0.000 . 1 . . . . . 72 ILE CG2 . 51355 1 700 . 1 . 1 71 71 ILE CD1 C 13 13.030 0.000 . 1 . . . . . 72 ILE CD1 . 51355 1 701 . 1 . 1 71 71 ILE N N 15 120.545 0.028 . 1 . . . . . 72 ILE N . 51355 1 702 . 1 . 1 72 72 ARG H H 1 8.397 0.005 . 1 . . . . . 73 ARG H . 51355 1 703 . 1 . 1 72 72 ARG HA H 1 4.361 0.000 . 1 . . . . . 73 ARG HA . 51355 1 704 . 1 . 1 72 72 ARG HB2 H 1 1.802 0.000 . 1 . . . . . 73 ARG HB2 . 51355 1 705 . 1 . 1 72 72 ARG HB3 H 1 1.802 0.000 . 1 . . . . . 73 ARG HB3 . 51355 1 706 . 1 . 1 72 72 ARG HG2 H 1 1.615 0.000 . 1 . . . . . 73 ARG HG2 . 51355 1 707 . 1 . 1 72 72 ARG HG3 H 1 1.615 0.000 . 1 . . . . . 73 ARG HG3 . 51355 1 708 . 1 . 1 72 72 ARG HD2 H 1 3.266 0.000 . 1 . . . . . 73 ARG HD2 . 51355 1 709 . 1 . 1 72 72 ARG HD3 H 1 3.266 0.000 . 1 . . . . . 73 ARG HD3 . 51355 1 710 . 1 . 1 72 72 ARG C C 13 176.257 0.023 . 1 . . . . . 73 ARG C . 51355 1 711 . 1 . 1 72 72 ARG CA C 13 56.266 0.024 . 1 . . . . . 73 ARG CA . 51355 1 712 . 1 . 1 72 72 ARG CB C 13 30.758 0.029 . 1 . . . . . 73 ARG CB . 51355 1 713 . 1 . 1 72 72 ARG CG C 13 27.140 0.000 . 1 . . . . . 73 ARG CG . 51355 1 714 . 1 . 1 72 72 ARG CD C 13 43.478 0.000 . 1 . . . . . 73 ARG CD . 51355 1 715 . 1 . 1 72 72 ARG N N 15 124.744 0.018 . 1 . . . . . 73 ARG N . 51355 1 716 . 1 . 1 73 73 GLN H H 1 8.450 0.004 . 1 . . . . . 74 GLN H . 51355 1 717 . 1 . 1 73 73 GLN HA H 1 4.340 0.000 . 1 . . . . . 74 GLN HA . 51355 1 718 . 1 . 1 73 73 GLN HB2 H 1 2.033 0.000 . 1 . . . . . 74 GLN HB2 . 51355 1 719 . 1 . 1 73 73 GLN HB3 H 1 2.033 0.000 . 1 . . . . . 74 GLN HB3 . 51355 1 720 . 1 . 1 73 73 GLN HG2 H 1 2.349 0.000 . 1 . . . . . 74 GLN HG2 . 51355 1 721 . 1 . 1 73 73 GLN HG3 H 1 2.349 0.000 . 1 . . . . . 74 GLN HG3 . 51355 1 722 . 1 . 1 73 73 GLN C C 13 175.903 0.056 . 1 . . . . . 74 GLN C . 51355 1 723 . 1 . 1 73 73 GLN CA C 13 56.020 0.017 . 1 . . . . . 74 GLN CA . 51355 1 724 . 1 . 1 73 73 GLN CB C 13 29.757 0.000 . 1 . . . . . 74 GLN CB . 51355 1 725 . 1 . 1 73 73 GLN CG C 13 34.059 0.000 . 1 . . . . . 74 GLN CG . 51355 1 726 . 1 . 1 73 73 GLN N N 15 121.717 0.014 . 1 . . . . . 74 GLN N . 51355 1 727 . 1 . 1 74 74 CYS H H 1 8.494 0.004 . 1 . . . . . 75 CYS H . 51355 1 728 . 1 . 1 74 74 CYS HA H 1 4.534 0.000 . 1 . . . . . 75 CYS HA . 51355 1 729 . 1 . 1 74 74 CYS HB2 H 1 2.921 0.000 . 1 . . . . . 75 CYS HB2 . 51355 1 730 . 1 . 1 74 74 CYS HB3 H 1 2.921 0.000 . 1 . . . . . 75 CYS HB3 . 51355 1 731 . 1 . 1 74 74 CYS C C 13 174.743 0.004 . 1 . . . . . 75 CYS C . 51355 1 732 . 1 . 1 74 74 CYS CA C 13 58.600 0.028 . 1 . . . . . 75 CYS CA . 51355 1 733 . 1 . 1 74 74 CYS CB C 13 27.980 0.013 . 1 . . . . . 75 CYS CB . 51355 1 734 . 1 . 1 74 74 CYS N N 15 120.925 0.031 . 1 . . . . . 75 CYS N . 51355 1 735 . 1 . 1 75 75 ILE H H 1 8.384 0.003 . 1 . . . . . 76 ILE H . 51355 1 736 . 1 . 1 75 75 ILE HA H 1 4.262 0.000 . 1 . . . . . 76 ILE HA . 51355 1 737 . 1 . 1 75 75 ILE HB H 1 1.783 0.000 . 1 . . . . . 76 ILE HB . 51355 1 738 . 1 . 1 75 75 ILE HG12 H 1 1.197 0.000 . 1 . . . . . 76 ILE HG12 . 51355 1 739 . 1 . 1 75 75 ILE HG13 H 1 1.197 0.000 . 1 . . . . . 76 ILE HG13 . 51355 1 740 . 1 . 1 75 75 ILE HG21 H 1 0.921 0.000 . 1 . . . . . 76 ILE HG21 . 51355 1 741 . 1 . 1 75 75 ILE HG22 H 1 0.921 0.000 . 1 . . . . . 76 ILE HG22 . 51355 1 742 . 1 . 1 75 75 ILE HG23 H 1 0.921 0.000 . 1 . . . . . 76 ILE HG23 . 51355 1 743 . 1 . 1 75 75 ILE HD11 H 1 0.921 0.000 . 1 . . . . . 76 ILE HD11 . 51355 1 744 . 1 . 1 75 75 ILE HD12 H 1 0.921 0.000 . 1 . . . . . 76 ILE HD12 . 51355 1 745 . 1 . 1 75 75 ILE HD13 H 1 0.921 0.000 . 1 . . . . . 76 ILE HD13 . 51355 1 746 . 1 . 1 75 75 ILE C C 13 176.384 0.001 . 1 . . . . . 76 ILE C . 51355 1 747 . 1 . 1 75 75 ILE CA C 13 61.475 0.046 . 1 . . . . . 76 ILE CA . 51355 1 748 . 1 . 1 75 75 ILE CB C 13 38.780 0.045 . 1 . . . . . 76 ILE CB . 51355 1 749 . 1 . 1 75 75 ILE CG1 C 13 27.283 0.000 . 1 . . . . . 76 ILE CG1 . 51355 1 750 . 1 . 1 75 75 ILE CG2 C 13 17.697 0.000 . 1 . . . . . 76 ILE CG2 . 51355 1 751 . 1 . 1 75 75 ILE CD1 C 13 13.154 0.000 . 1 . . . . . 76 ILE CD1 . 51355 1 752 . 1 . 1 75 75 ILE N N 15 123.406 0.020 . 1 . . . . . 76 ILE N . 51355 1 753 . 1 . 1 76 76 SER H H 1 8.450 0.004 . 1 . . . . . 77 SER H . 51355 1 754 . 1 . 1 76 76 SER HA H 1 4.496 0.000 . 1 . . . . . 77 SER HA . 51355 1 755 . 1 . 1 76 76 SER HB2 H 1 3.883 0.000 . 1 . . . . . 77 SER HB2 . 51355 1 756 . 1 . 1 76 76 SER HB3 H 1 3.883 0.000 . 1 . . . . . 77 SER HB3 . 51355 1 757 . 1 . 1 76 76 SER C C 13 174.988 0.004 . 1 . . . . . 77 SER C . 51355 1 758 . 1 . 1 76 76 SER CA C 13 58.533 0.047 . 1 . . . . . 77 SER CA . 51355 1 759 . 1 . 1 76 76 SER CB C 13 64.000 0.015 . 1 . . . . . 77 SER CB . 51355 1 760 . 1 . 1 76 76 SER N N 15 119.617 0.018 . 1 . . . . . 77 SER N . 51355 1 761 . 1 . 1 77 77 GLY H H 1 8.460 0.003 . 1 . . . . . 78 GLY H . 51355 1 762 . 1 . 1 77 77 GLY HA2 H 1 3.992 0.000 . 1 . . . . . 78 GLY HA2 . 51355 1 763 . 1 . 1 77 77 GLY HA3 H 1 3.992 0.000 . 1 . . . . . 78 GLY HA3 . 51355 1 764 . 1 . 1 77 77 GLY C C 13 173.847 0.016 . 1 . . . . . 78 GLY C . 51355 1 765 . 1 . 1 77 77 GLY CA C 13 45.453 0.016 . 1 . . . . . 78 GLY CA . 51355 1 766 . 1 . 1 77 77 GLY N N 15 110.996 0.018 . 1 . . . . . 78 GLY N . 51355 1 767 . 1 . 1 78 78 ASN H H 1 8.428 0.002 . 1 . . . . . 79 ASN H . 51355 1 768 . 1 . 1 78 78 ASN HA H 1 4.695 0.000 . 1 . . . . . 79 ASN HA . 51355 1 769 . 1 . 1 78 78 ASN HB2 H 1 2.808 0.000 . 1 . . . . . 79 ASN HB2 . 51355 1 770 . 1 . 1 78 78 ASN HB3 H 1 2.808 0.000 . 1 . . . . . 79 ASN HB3 . 51355 1 771 . 1 . 1 78 78 ASN C C 13 175.450 0.000 . 1 . . . . . 79 ASN C . 51355 1 772 . 1 . 1 78 78 ASN CA C 13 53.279 0.082 . 1 . . . . . 79 ASN CA . 51355 1 773 . 1 . 1 78 78 ASN CB C 13 39.170 0.000 . 1 . . . . . 79 ASN CB . 51355 1 774 . 1 . 1 78 78 ASN N N 15 118.913 0.011 . 1 . . . . . 79 ASN N . 51355 1 775 . 1 . 1 79 79 CYS H H 1 8.535 0.004 . 1 . . . . . 80 CYS H . 51355 1 776 . 1 . 1 79 79 CYS HA H 1 4.526 0.000 . 1 . . . . . 80 CYS HA . 51355 1 777 . 1 . 1 79 79 CYS HB2 H 1 2.965 0.000 . 1 . . . . . 80 CYS HB2 . 51355 1 778 . 1 . 1 79 79 CYS HB3 H 1 2.965 0.000 . 1 . . . . . 80 CYS HB3 . 51355 1 779 . 1 . 1 79 79 CYS C C 13 174.485 0.013 . 1 . . . . . 80 CYS C . 51355 1 780 . 1 . 1 79 79 CYS CA C 13 58.738 0.019 . 1 . . . . . 80 CYS CA . 51355 1 781 . 1 . 1 79 79 CYS CB C 13 28.135 0.048 . 1 . . . . . 80 CYS CB . 51355 1 782 . 1 . 1 79 79 CYS N N 15 119.844 0.019 . 1 . . . . . 80 CYS N . 51355 1 783 . 1 . 1 80 80 ASP H H 1 8.500 0.004 . 1 . . . . . 81 ASP H . 51355 1 784 . 1 . 1 80 80 ASP HA H 1 4.615 0.000 . 1 . . . . . 81 ASP HA . 51355 1 785 . 1 . 1 80 80 ASP HB2 H 1 2.672 0.000 . 1 . . . . . 81 ASP HB2 . 51355 1 786 . 1 . 1 80 80 ASP HB3 H 1 2.672 0.000 . 1 . . . . . 81 ASP HB3 . 51355 1 787 . 1 . 1 80 80 ASP C C 13 175.961 0.038 . 1 . . . . . 81 ASP C . 51355 1 788 . 1 . 1 80 80 ASP CA C 13 54.708 0.162 . 1 . . . . . 81 ASP CA . 51355 1 789 . 1 . 1 80 80 ASP CB C 13 41.332 0.055 . 1 . . . . . 81 ASP CB . 51355 1 790 . 1 . 1 80 80 ASP N N 15 122.662 0.020 . 1 . . . . . 81 ASP N . 51355 1 791 . 1 . 1 81 81 ASP H H 1 8.376 0.002 . 1 . . . . . 82 ASP H . 51355 1 792 . 1 . 1 81 81 ASP HA H 1 4.668 0.000 . 1 . . . . . 82 ASP HA . 51355 1 793 . 1 . 1 81 81 ASP HB2 H 1 2.669 0.000 . 1 . . . . . 82 ASP HB2 . 51355 1 794 . 1 . 1 81 81 ASP HB3 H 1 2.669 0.000 . 1 . . . . . 82 ASP HB3 . 51355 1 795 . 1 . 1 81 81 ASP C C 13 176.483 0.017 . 1 . . . . . 82 ASP C . 51355 1 796 . 1 . 1 81 81 ASP CA C 13 54.432 0.055 . 1 . . . . . 82 ASP CA . 51355 1 797 . 1 . 1 81 81 ASP CB C 13 41.113 0.002 . 1 . . . . . 82 ASP CB . 51355 1 798 . 1 . 1 81 81 ASP N N 15 120.650 0.000 . 1 . . . . . 82 ASP N . 51355 1 799 . 1 . 1 82 82 MET H H 1 8.323 0.004 . 1 . . . . . 83 MET H . 51355 1 800 . 1 . 1 82 82 MET HA H 1 4.462 0.000 . 1 . . . . . 83 MET HA . 51355 1 801 . 1 . 1 82 82 MET HB2 H 1 2.071 0.000 . 1 . . . . . 83 MET HB2 . 51355 1 802 . 1 . 1 82 82 MET HB3 H 1 2.071 0.000 . 1 . . . . . 83 MET HB3 . 51355 1 803 . 1 . 1 82 82 MET HG2 H 1 2.581 0.000 . 1 . . . . . 83 MET HG2 . 51355 1 804 . 1 . 1 82 82 MET HG3 H 1 2.581 0.000 . 1 . . . . . 83 MET HG3 . 51355 1 805 . 1 . 1 82 82 MET C C 13 176.191 0.020 . 1 . . . . . 83 MET C . 51355 1 806 . 1 . 1 82 82 MET CA C 13 55.911 0.047 . 1 . . . . . 83 MET CA . 51355 1 807 . 1 . 1 82 82 MET CB C 13 32.992 0.002 . 1 . . . . . 83 MET CB . 51355 1 808 . 1 . 1 82 82 MET CG C 13 32.149 0.000 . 1 . . . . . 83 MET CG . 51355 1 809 . 1 . 1 82 82 MET N N 15 120.258 0.017 . 1 . . . . . 83 MET N . 51355 1 810 . 1 . 1 83 83 ASP H H 1 8.410 0.004 . 1 . . . . . 84 ASP H . 51355 1 811 . 1 . 1 83 83 ASP HA H 1 4.650 0.000 . 1 . . . . . 84 ASP HA . 51355 1 812 . 1 . 1 83 83 ASP HB2 H 1 2.667 0.000 . 1 . . . . . 84 ASP HB2 . 51355 1 813 . 1 . 1 83 83 ASP HB3 H 1 2.667 0.000 . 1 . . . . . 84 ASP HB3 . 51355 1 814 . 1 . 1 83 83 ASP C C 13 176.041 0.017 . 1 . . . . . 84 ASP C . 51355 1 815 . 1 . 1 83 83 ASP CA C 13 54.528 0.033 . 1 . . . . . 84 ASP CA . 51355 1 816 . 1 . 1 83 83 ASP CB C 13 41.365 0.028 . 1 . . . . . 84 ASP CB . 51355 1 817 . 1 . 1 83 83 ASP N N 15 121.129 0.014 . 1 . . . . . 84 ASP N . 51355 1 818 . 1 . 1 84 84 SER H H 1 8.190 0.002 . 1 . . . . . 85 SER H . 51355 1 819 . 1 . 1 84 84 SER HA H 1 4.763 0.000 . 1 . . . . . 85 SER HA . 51355 1 820 . 1 . 1 84 84 SER HB2 H 1 3.850 0.000 . 1 . . . . . 85 SER HB2 . 51355 1 821 . 1 . 1 84 84 SER HB3 H 1 3.850 0.000 . 1 . . . . . 85 SER HB3 . 51355 1 822 . 1 . 1 84 84 SER C C 13 172.199 0.000 . 1 . . . . . 85 SER C . 51355 1 823 . 1 . 1 84 84 SER CA C 13 56.487 0.000 . 1 . . . . . 85 SER CA . 51355 1 824 . 1 . 1 84 84 SER CB C 13 63.424 0.000 . 1 . . . . . 85 SER CB . 51355 1 825 . 1 . 1 84 84 SER N N 15 116.971 0.010 . 1 . . . . . 85 SER N . 51355 1 826 . 1 . 1 85 85 PRO C C 13 177.089 0.000 . 1 . . . . . 86 PRO C . 51355 1 827 . 1 . 1 85 85 PRO CA C 13 63.244 0.083 . 1 . . . . . 86 PRO CA . 51355 1 828 . 1 . 1 85 85 PRO CB C 13 32.257 0.000 . 1 . . . . . 86 PRO CB . 51355 1 829 . 1 . 1 85 85 PRO CG C 13 27.544 0.000 . 1 . . . . . 86 PRO CG . 51355 1 830 . 1 . 1 85 85 PRO CD C 13 50.720 0.000 . 1 . . . . . 86 PRO CD . 51355 1 831 . 1 . 1 86 86 GLN H H 1 8.561 0.004 . 1 . . . . . 87 GLN H . 51355 1 832 . 1 . 1 86 86 GLN HA H 1 4.346 0.000 . 1 . . . . . 87 GLN HA . 51355 1 833 . 1 . 1 86 86 GLN HB2 H 1 2.024 0.000 . 1 . . . . . 87 GLN HB2 . 51355 1 834 . 1 . 1 86 86 GLN HB3 H 1 2.024 0.000 . 1 . . . . . 87 GLN HB3 . 51355 1 835 . 1 . 1 86 86 GLN HG2 H 1 2.417 0.000 . 1 . . . . . 87 GLN HG2 . 51355 1 836 . 1 . 1 86 86 GLN HG3 H 1 2.417 0.000 . 1 . . . . . 87 GLN HG3 . 51355 1 837 . 1 . 1 86 86 GLN C C 13 176.012 0.000 . 1 . . . . . 87 GLN C . 51355 1 838 . 1 . 1 86 86 GLN CA C 13 55.686 0.025 . 1 . . . . . 87 GLN CA . 51355 1 839 . 1 . 1 86 86 GLN CB C 13 29.866 0.000 . 1 . . . . . 87 GLN CB . 51355 1 840 . 1 . 1 86 86 GLN CG C 13 33.995 0.000 . 1 . . . . . 87 GLN CG . 51355 1 841 . 1 . 1 86 86 GLN N N 15 120.803 0.014 . 1 . . . . . 87 GLN N . 51355 1 842 . 1 . 1 87 87 SER H H 1 8.499 0.003 . 1 . . . . . 88 SER H . 51355 1 843 . 1 . 1 87 87 SER HA H 1 4.721 0.000 . 1 . . . . . 88 SER HA . 51355 1 844 . 1 . 1 87 87 SER HB2 H 1 3.859 0.000 . 1 . . . . . 88 SER HB2 . 51355 1 845 . 1 . 1 87 87 SER HB3 H 1 3.859 0.000 . 1 . . . . . 88 SER HB3 . 51355 1 846 . 1 . 1 87 87 SER CA C 13 56.575 0.015 . 1 . . . . . 88 SER CA . 51355 1 847 . 1 . 1 87 87 SER CB C 13 63.420 0.000 . 1 . . . . . 88 SER CB . 51355 1 848 . 1 . 1 87 87 SER N N 15 118.900 0.016 . 1 . . . . . 88 SER N . 51355 1 849 . 1 . 1 88 88 PRO C C 13 177.123 0.000 . 1 . . . . . 89 PRO C . 51355 1 850 . 1 . 1 88 88 PRO CA C 13 63.541 0.006 . 1 . . . . . 89 PRO CA . 51355 1 851 . 1 . 1 88 88 PRO CB C 13 32.148 0.000 . 1 . . . . . 89 PRO CB . 51355 1 852 . 1 . 1 88 88 PRO CG C 13 27.556 0.000 . 1 . . . . . 89 PRO CG . 51355 1 853 . 1 . 1 88 88 PRO CD C 13 50.859 0.000 . 1 . . . . . 89 PRO CD . 51355 1 854 . 1 . 1 89 89 GLN H H 1 8.533 0.005 . 1 . . . . . 90 GLN H . 51355 1 855 . 1 . 1 89 89 GLN HA H 1 4.329 0.000 . 1 . . . . . 90 GLN HA . 51355 1 856 . 1 . 1 89 89 GLN HB2 H 1 1.998 0.000 . 1 . . . . . 90 GLN HB2 . 51355 1 857 . 1 . 1 89 89 GLN HB3 H 1 1.998 0.000 . 1 . . . . . 90 GLN HB3 . 51355 1 858 . 1 . 1 89 89 GLN HG2 H 1 2.389 0.000 . 1 . . . . . 90 GLN HG2 . 51355 1 859 . 1 . 1 89 89 GLN HG3 H 1 2.389 0.000 . 1 . . . . . 90 GLN HG3 . 51355 1 860 . 1 . 1 89 89 GLN C C 13 175.898 0.052 . 1 . . . . . 90 GLN C . 51355 1 861 . 1 . 1 89 89 GLN CA C 13 55.831 0.057 . 1 . . . . . 90 GLN CA . 51355 1 862 . 1 . 1 89 89 GLN CB C 13 29.727 0.067 . 1 . . . . . 90 GLN CB . 51355 1 863 . 1 . 1 89 89 GLN CG C 13 33.952 0.000 . 1 . . . . . 90 GLN CG . 51355 1 864 . 1 . 1 89 89 GLN N N 15 120.440 0.016 . 1 . . . . . 90 GLN N . 51355 1 865 . 1 . 1 90 90 ASP H H 1 8.347 0.003 . 1 . . . . . 91 ASP H . 51355 1 866 . 1 . 1 90 90 ASP HA H 1 4.657 0.000 . 1 . . . . . 91 ASP HA . 51355 1 867 . 1 . 1 90 90 ASP HB2 H 1 2.656 0.000 . 1 . . . . . 91 ASP HB2 . 51355 1 868 . 1 . 1 90 90 ASP HB3 H 1 2.656 0.000 . 1 . . . . . 91 ASP HB3 . 51355 1 869 . 1 . 1 90 90 ASP C C 13 176.121 0.044 . 1 . . . . . 91 ASP C . 51355 1 870 . 1 . 1 90 90 ASP CA C 13 54.656 0.063 . 1 . . . . . 91 ASP CA . 51355 1 871 . 1 . 1 90 90 ASP CB C 13 41.380 0.011 . 1 . . . . . 91 ASP CB . 51355 1 872 . 1 . 1 90 90 ASP N N 15 121.563 0.007 . 1 . . . . . 91 ASP N . 51355 1 873 . 1 . 1 91 91 ASP H H 1 8.288 0.003 . 1 . . . . . 92 ASP H . 51355 1 874 . 1 . 1 91 91 ASP HA H 1 4.597 0.000 . 1 . . . . . 92 ASP HA . 51355 1 875 . 1 . 1 91 91 ASP HB2 H 1 2.675 0.000 . 1 . . . . . 92 ASP HB2 . 51355 1 876 . 1 . 1 91 91 ASP HB3 H 1 2.675 0.000 . 1 . . . . . 92 ASP HB3 . 51355 1 877 . 1 . 1 91 91 ASP C C 13 176.421 0.028 . 1 . . . . . 92 ASP C . 51355 1 878 . 1 . 1 91 91 ASP CA C 13 54.437 0.052 . 1 . . . . . 92 ASP CA . 51355 1 879 . 1 . 1 91 91 ASP CB C 13 41.151 0.095 . 1 . . . . . 92 ASP CB . 51355 1 880 . 1 . 1 91 91 ASP N N 15 120.256 0.007 . 1 . . . . . 92 ASP N . 51355 1 881 . 1 . 1 92 92 VAL H H 1 8.186 0.004 . 1 . . . . . 93 VAL H . 51355 1 882 . 1 . 1 92 92 VAL HA H 1 4.200 0.000 . 1 . . . . . 93 VAL HA . 51355 1 883 . 1 . 1 92 92 VAL HB H 1 2.153 0.000 . 1 . . . . . 93 VAL HB . 51355 1 884 . 1 . 1 92 92 VAL HG11 H 1 0.950 0.000 . 1 . . . . . 93 VAL HG11 . 51355 1 885 . 1 . 1 92 92 VAL HG12 H 1 0.950 0.000 . 1 . . . . . 93 VAL HG12 . 51355 1 886 . 1 . 1 92 92 VAL HG13 H 1 0.950 0.000 . 1 . . . . . 93 VAL HG13 . 51355 1 887 . 1 . 1 92 92 VAL HG21 H 1 0.950 0.000 . 1 . . . . . 93 VAL HG21 . 51355 1 888 . 1 . 1 92 92 VAL HG22 H 1 0.950 0.000 . 1 . . . . . 93 VAL HG22 . 51355 1 889 . 1 . 1 92 92 VAL HG23 H 1 0.950 0.000 . 1 . . . . . 93 VAL HG23 . 51355 1 890 . 1 . 1 92 92 VAL C C 13 176.565 0.012 . 1 . . . . . 93 VAL C . 51355 1 891 . 1 . 1 92 92 VAL CA C 13 62.373 0.026 . 1 . . . . . 93 VAL CA . 51355 1 892 . 1 . 1 92 92 VAL CB C 13 32.678 0.012 . 1 . . . . . 93 VAL CB . 51355 1 893 . 1 . 1 92 92 VAL CG1 C 13 21.355 0.000 . 2 . . . . . 93 VAL CG1 . 51355 1 894 . 1 . 1 92 92 VAL CG2 C 13 20.435 0.000 . 2 . . . . . 93 VAL CG2 . 51355 1 895 . 1 . 1 92 92 VAL N N 15 120.239 0.027 . 1 . . . . . 93 VAL N . 51355 1 896 . 1 . 1 93 93 THR H H 1 8.354 0.004 . 1 . . . . . 94 THR H . 51355 1 897 . 1 . 1 93 93 THR HA H 1 4.405 0.000 . 1 . . . . . 94 THR HA . 51355 1 898 . 1 . 1 93 93 THR HB H 1 4.275 0.000 . 1 . . . . . 94 THR HB . 51355 1 899 . 1 . 1 93 93 THR HG21 H 1 1.225 0.000 . 1 . . . . . 94 THR HG21 . 51355 1 900 . 1 . 1 93 93 THR HG22 H 1 1.225 0.000 . 1 . . . . . 94 THR HG22 . 51355 1 901 . 1 . 1 93 93 THR HG23 H 1 1.225 0.000 . 1 . . . . . 94 THR HG23 . 51355 1 902 . 1 . 1 93 93 THR C C 13 174.539 0.010 . 1 . . . . . 94 THR C . 51355 1 903 . 1 . 1 93 93 THR CA C 13 62.181 0.015 . 1 . . . . . 94 THR CA . 51355 1 904 . 1 . 1 93 93 THR CB C 13 69.941 0.021 . 1 . . . . . 94 THR CB . 51355 1 905 . 1 . 1 93 93 THR CG2 C 13 21.735 0.000 . 1 . . . . . 94 THR CG2 . 51355 1 906 . 1 . 1 93 93 THR N N 15 118.220 0.017 . 1 . . . . . 94 THR N . 51355 1 907 . 1 . 1 94 94 GLU H H 1 8.454 0.004 . 1 . . . . . 95 GLU H . 51355 1 908 . 1 . 1 94 94 GLU HA H 1 4.375 0.000 . 1 . . . . . 95 GLU HA . 51355 1 909 . 1 . 1 94 94 GLU HB2 H 1 2.021 0.000 . 1 . . . . . 95 GLU HB2 . 51355 1 910 . 1 . 1 94 94 GLU HB3 H 1 2.021 0.000 . 1 . . . . . 95 GLU HB3 . 51355 1 911 . 1 . 1 94 94 GLU HG2 H 1 2.227 0.000 . 1 . . . . . 95 GLU HG2 . 51355 1 912 . 1 . 1 94 94 GLU HG3 H 1 2.227 0.000 . 1 . . . . . 95 GLU HG3 . 51355 1 913 . 1 . 1 94 94 GLU C C 13 176.257 0.017 . 1 . . . . . 95 GLU C . 51355 1 914 . 1 . 1 94 94 GLU CA C 13 56.427 0.020 . 1 . . . . . 95 GLU CA . 51355 1 915 . 1 . 1 94 94 GLU CB C 13 30.613 0.043 . 1 . . . . . 95 GLU CB . 51355 1 916 . 1 . 1 94 94 GLU CG C 13 36.260 0.000 . 1 . . . . . 95 GLU CG . 51355 1 917 . 1 . 1 94 94 GLU N N 15 123.900 0.015 . 1 . . . . . 95 GLU N . 51355 1 918 . 1 . 1 95 95 THR H H 1 8.393 0.005 . 1 . . . . . 96 THR H . 51355 1 919 . 1 . 1 95 95 THR HA H 1 4.620 0.000 . 1 . . . . . 96 THR HA . 51355 1 920 . 1 . 1 95 95 THR HB H 1 4.177 0.000 . 1 . . . . . 96 THR HB . 51355 1 921 . 1 . 1 95 95 THR HG21 H 1 1.244 0.000 . 1 . . . . . 96 THR HG21 . 51355 1 922 . 1 . 1 95 95 THR HG22 H 1 1.244 0.000 . 1 . . . . . 96 THR HG22 . 51355 1 923 . 1 . 1 95 95 THR HG23 H 1 1.244 0.000 . 1 . . . . . 96 THR HG23 . 51355 1 924 . 1 . 1 95 95 THR C C 13 172.982 0.000 . 1 . . . . . 96 THR C . 51355 1 925 . 1 . 1 95 95 THR CA C 13 59.862 0.003 . 1 . . . . . 96 THR CA . 51355 1 926 . 1 . 1 95 95 THR CB C 13 69.805 0.000 . 1 . . . . . 96 THR CB . 51355 1 927 . 1 . 1 95 95 THR N N 15 118.646 0.016 . 1 . . . . . 96 THR N . 51355 1 928 . 1 . 1 96 96 PRO C C 13 177.007 0.025 . 1 . . . . . 97 PRO C . 51355 1 929 . 1 . 1 96 96 PRO CA C 13 63.354 0.070 . 1 . . . . . 97 PRO CA . 51355 1 930 . 1 . 1 96 96 PRO CB C 13 32.227 0.000 . 1 . . . . . 97 PRO CB . 51355 1 931 . 1 . 1 96 96 PRO CG C 13 27.488 0.000 . 1 . . . . . 97 PRO CG . 51355 1 932 . 1 . 1 96 96 PRO CD C 13 51.267 0.000 . 1 . . . . . 97 PRO CD . 51355 1 933 . 1 . 1 97 97 SER H H 1 8.482 0.006 . 1 . . . . . 98 SER H . 51355 1 934 . 1 . 1 97 97 SER HA H 1 4.411 0.000 . 1 . . . . . 98 SER HA . 51355 1 935 . 1 . 1 97 97 SER HB2 H 1 3.872 0.000 . 1 . . . . . 98 SER HB2 . 51355 1 936 . 1 . 1 97 97 SER HB3 H 1 3.872 0.000 . 1 . . . . . 98 SER HB3 . 51355 1 937 . 1 . 1 97 97 SER C C 13 174.068 0.000 . 1 . . . . . 98 SER C . 51355 1 938 . 1 . 1 97 97 SER CA C 13 58.526 0.039 . 1 . . . . . 98 SER CA . 51355 1 939 . 1 . 1 97 97 SER CB C 13 63.846 0.002 . 1 . . . . . 98 SER CB . 51355 1 940 . 1 . 1 97 97 SER N N 15 116.365 0.025 . 1 . . . . . 98 SER N . 51355 1 941 . 1 . 1 98 98 ASN H H 1 8.491 0.005 . 1 . . . . . 99 ASN H . 51355 1 942 . 1 . 1 98 98 ASN HA H 1 5.008 0.000 . 1 . . . . . 99 ASN HA . 51355 1 943 . 1 . 1 98 98 ASN HB2 H 1 2.682 0.000 . 1 . . . . . 99 ASN HB2 . 51355 1 944 . 1 . 1 98 98 ASN HB3 H 1 2.682 0.000 . 1 . . . . . 99 ASN HB3 . 51355 1 945 . 1 . 1 98 98 ASN CA C 13 51.227 0.038 . 1 . . . . . 99 ASN CA . 51355 1 946 . 1 . 1 98 98 ASN CB C 13 39.185 0.000 . 1 . . . . . 99 ASN CB . 51355 1 947 . 1 . 1 98 98 ASN N N 15 121.340 0.023 . 1 . . . . . 99 ASN N . 51355 1 948 . 1 . 1 99 99 PRO C C 13 176.779 0.017 . 1 . . . . . 100 PRO C . 51355 1 949 . 1 . 1 99 99 PRO CA C 13 63.894 0.012 . 1 . . . . . 100 PRO CA . 51355 1 950 . 1 . 1 99 99 PRO CB C 13 32.198 0.000 . 1 . . . . . 100 PRO CB . 51355 1 951 . 1 . 1 99 99 PRO CG C 13 27.113 0.000 . 1 . . . . . 100 PRO CG . 51355 1 952 . 1 . 1 99 99 PRO CD C 13 50.898 0.000 . 1 . . . . . 100 PRO CD . 51355 1 953 . 1 . 1 100 100 ASN H H 1 8.442 0.004 . 1 . . . . . 101 ASN H . 51355 1 954 . 1 . 1 100 100 ASN HA H 1 4.744 0.000 . 1 . . . . . 101 ASN HA . 51355 1 955 . 1 . 1 100 100 ASN HB2 H 1 2.788 0.000 . 1 . . . . . 101 ASN HB2 . 51355 1 956 . 1 . 1 100 100 ASN HB3 H 1 2.788 0.000 . 1 . . . . . 101 ASN HB3 . 51355 1 957 . 1 . 1 100 100 ASN C C 13 175.069 0.017 . 1 . . . . . 101 ASN C . 51355 1 958 . 1 . 1 100 100 ASN CA C 13 53.161 0.014 . 1 . . . . . 101 ASN CA . 51355 1 959 . 1 . 1 100 100 ASN CB C 13 39.012 0.041 . 1 . . . . . 101 ASN CB . 51355 1 960 . 1 . 1 100 100 ASN N N 15 117.242 0.020 . 1 . . . . . 101 ASN N . 51355 1 961 . 1 . 1 101 101 SER H H 1 8.017 0.005 . 1 . . . . . 102 SER H . 51355 1 962 . 1 . 1 101 101 SER HA H 1 4.735 0.000 . 1 . . . . . 102 SER HA . 51355 1 963 . 1 . 1 101 101 SER HB2 H 1 3.926 0.000 . 1 . . . . . 102 SER HB2 . 51355 1 964 . 1 . 1 101 101 SER HB3 H 1 3.926 0.000 . 1 . . . . . 102 SER HB3 . 51355 1 965 . 1 . 1 101 101 SER CA C 13 56.676 0.044 . 1 . . . . . 102 SER CA . 51355 1 966 . 1 . 1 101 101 SER CB C 13 63.455 0.000 . 1 . . . . . 102 SER CB . 51355 1 967 . 1 . 1 101 101 SER N N 15 117.035 0.025 . 1 . . . . . 102 SER N . 51355 1 968 . 1 . 1 102 102 PRO C C 13 177.982 0.000 . 1 . . . . . 103 PRO C . 51355 1 969 . 1 . 1 102 102 PRO CA C 13 64.295 0.032 . 1 . . . . . 103 PRO CA . 51355 1 970 . 1 . 1 102 102 PRO CB C 13 31.964 0.000 . 1 . . . . . 103 PRO CB . 51355 1 971 . 1 . 1 102 102 PRO CG C 13 27.696 0.000 . 1 . . . . . 103 PRO CG . 51355 1 972 . 1 . 1 102 102 PRO CD C 13 50.789 0.000 . 1 . . . . . 103 PRO CD . 51355 1 973 . 1 . 1 103 103 SER H H 1 8.369 0.005 . 1 . . . . . 104 SER H . 51355 1 974 . 1 . 1 103 103 SER HA H 1 4.337 0.000 . 1 . . . . . 104 SER HA . 51355 1 975 . 1 . 1 103 103 SER HB2 H 1 3.889 0.000 . 1 . . . . . 104 SER HB2 . 51355 1 976 . 1 . 1 103 103 SER HB3 H 1 3.889 0.000 . 1 . . . . . 104 SER HB3 . 51355 1 977 . 1 . 1 103 103 SER C C 13 175.469 0.000 . 1 . . . . . 104 SER C . 51355 1 978 . 1 . 1 103 103 SER CA C 13 59.469 0.069 . 1 . . . . . 104 SER CA . 51355 1 979 . 1 . 1 103 103 SER CB C 13 63.408 0.043 . 1 . . . . . 104 SER CB . 51355 1 980 . 1 . 1 103 103 SER N N 15 114.805 0.023 . 1 . . . . . 104 SER N . 51355 1 981 . 1 . 1 104 104 ALA H H 1 8.281 0.004 . 1 . . . . . 105 ALA H . 51355 1 982 . 1 . 1 104 104 ALA HA H 1 4.333 0.000 . 1 . . . . . 105 ALA HA . 51355 1 983 . 1 . 1 104 104 ALA HB1 H 1 1.477 0.000 . 1 . . . . . 105 ALA HB1 . 51355 1 984 . 1 . 1 104 104 ALA HB2 H 1 1.477 0.000 . 1 . . . . . 105 ALA HB2 . 51355 1 985 . 1 . 1 104 104 ALA HB3 H 1 1.477 0.000 . 1 . . . . . 105 ALA HB3 . 51355 1 986 . 1 . 1 104 104 ALA C C 13 178.889 0.017 . 1 . . . . . 105 ALA C . 51355 1 987 . 1 . 1 104 104 ALA CA C 13 53.710 0.039 . 1 . . . . . 105 ALA CA . 51355 1 988 . 1 . 1 104 104 ALA CB C 13 19.021 0.027 . 1 . . . . . 105 ALA CB . 51355 1 989 . 1 . 1 104 104 ALA N N 15 126.365 0.016 . 1 . . . . . 105 ALA N . 51355 1 990 . 1 . 1 105 105 GLN H H 1 8.272 0.003 . 1 . . . . . 106 GLN H . 51355 1 991 . 1 . 1 105 105 GLN HA H 1 4.241 0.000 . 1 . . . . . 106 GLN HA . 51355 1 992 . 1 . 1 105 105 GLN HB2 H 1 2.072 0.000 . 1 . . . . . 106 GLN HB2 . 51355 1 993 . 1 . 1 105 105 GLN HB3 H 1 2.072 0.000 . 1 . . . . . 106 GLN HB3 . 51355 1 994 . 1 . 1 105 105 GLN HG2 H 1 2.420 0.000 . 1 . . . . . 106 GLN HG2 . 51355 1 995 . 1 . 1 105 105 GLN HG3 H 1 2.420 0.000 . 1 . . . . . 106 GLN HG3 . 51355 1 996 . 1 . 1 105 105 GLN C C 13 177.149 0.008 . 1 . . . . . 106 GLN C . 51355 1 997 . 1 . 1 105 105 GLN CA C 13 57.065 0.043 . 1 . . . . . 106 GLN CA . 51355 1 998 . 1 . 1 105 105 GLN CB C 13 28.938 0.044 . 1 . . . . . 106 GLN CB . 51355 1 999 . 1 . 1 105 105 GLN CG C 13 33.856 0.000 . 1 . . . . . 106 GLN CG . 51355 1 1000 . 1 . 1 105 105 GLN N N 15 118.714 0.013 . 1 . . . . . 106 GLN N . 51355 1 1001 . 1 . 1 106 106 LEU H H 1 8.114 0.003 . 1 . . . . . 107 LEU H . 51355 1 1002 . 1 . 1 106 106 LEU HA H 1 4.277 0.000 . 1 . . . . . 107 LEU HA . 51355 1 1003 . 1 . 1 106 106 LEU HB2 H 1 1.686 0.000 . 1 . . . . . 107 LEU HB2 . 51355 1 1004 . 1 . 1 106 106 LEU HB3 H 1 1.686 0.000 . 1 . . . . . 107 LEU HB3 . 51355 1 1005 . 1 . 1 106 106 LEU HG H 1 1.640 0.000 . 1 . . . . . 107 LEU HG . 51355 1 1006 . 1 . 1 106 106 LEU HD11 H 1 0.905 0.000 . 1 . . . . . 107 LEU HD11 . 51355 1 1007 . 1 . 1 106 106 LEU HD12 H 1 0.905 0.000 . 1 . . . . . 107 LEU HD12 . 51355 1 1008 . 1 . 1 106 106 LEU HD13 H 1 0.905 0.000 . 1 . . . . . 107 LEU HD13 . 51355 1 1009 . 1 . 1 106 106 LEU HD21 H 1 0.905 0.000 . 1 . . . . . 107 LEU HD21 . 51355 1 1010 . 1 . 1 106 106 LEU HD22 H 1 0.905 0.000 . 1 . . . . . 107 LEU HD22 . 51355 1 1011 . 1 . 1 106 106 LEU HD23 H 1 0.905 0.000 . 1 . . . . . 107 LEU HD23 . 51355 1 1012 . 1 . 1 106 106 LEU C C 13 178.169 0.000 . 1 . . . . . 107 LEU C . 51355 1 1013 . 1 . 1 106 106 LEU CA C 13 56.328 0.021 . 1 . . . . . 107 LEU CA . 51355 1 1014 . 1 . 1 106 106 LEU CB C 13 42.055 0.000 . 1 . . . . . 107 LEU CB . 51355 1 1015 . 1 . 1 106 106 LEU CG C 13 27.158 0.000 . 1 . . . . . 107 LEU CG . 51355 1 1016 . 1 . 1 106 106 LEU CD1 C 13 24.768 0.000 . 2 . . . . . 107 LEU CD1 . 51355 1 1017 . 1 . 1 106 106 LEU CD2 C 13 23.781 0.000 . 2 . . . . . 107 LEU CD2 . 51355 1 1018 . 1 . 1 106 106 LEU N N 15 122.251 0.021 . 1 . . . . . 107 LEU N . 51355 1 1019 . 1 . 1 107 107 ALA H H 1 8.197 0.004 . 1 . . . . . 108 ALA H . 51355 1 1020 . 1 . 1 107 107 ALA HA H 1 4.392 0.000 . 1 . . . . . 108 ALA HA . 51355 1 1021 . 1 . 1 107 107 ALA HB1 H 1 1.444 0.000 . 1 . . . . . 108 ALA HB1 . 51355 1 1022 . 1 . 1 107 107 ALA HB2 H 1 1.444 0.000 . 1 . . . . . 108 ALA HB2 . 51355 1 1023 . 1 . 1 107 107 ALA HB3 H 1 1.444 0.000 . 1 . . . . . 108 ALA HB3 . 51355 1 1024 . 1 . 1 107 107 ALA C C 13 179.090 0.006 . 1 . . . . . 108 ALA C . 51355 1 1025 . 1 . 1 107 107 ALA CA C 13 53.606 0.031 . 1 . . . . . 108 ALA CA . 51355 1 1026 . 1 . 1 107 107 ALA CB C 13 18.754 0.005 . 1 . . . . . 108 ALA CB . 51355 1 1027 . 1 . 1 107 107 ALA N N 15 123.558 0.015 . 1 . . . . . 108 ALA N . 51355 1 1028 . 1 . 1 108 108 LYS H H 1 8.159 0.003 . 1 . . . . . 109 LYS H . 51355 1 1029 . 1 . 1 108 108 LYS HA H 1 4.121 0.000 . 1 . . . . . 109 LYS HA . 51355 1 1030 . 1 . 1 108 108 LYS HB2 H 1 1.883 0.000 . 1 . . . . . 109 LYS HB2 . 51355 1 1031 . 1 . 1 108 108 LYS HB3 H 1 1.883 0.000 . 1 . . . . . 109 LYS HB3 . 51355 1 1032 . 1 . 1 108 108 LYS HG2 H 1 1.471 0.000 . 1 . . . . . 109 LYS HG2 . 51355 1 1033 . 1 . 1 108 108 LYS HG3 H 1 1.471 0.000 . 1 . . . . . 109 LYS HG3 . 51355 1 1034 . 1 . 1 108 108 LYS HD2 H 1 1.585 0.000 . 1 . . . . . 109 LYS HD2 . 51355 1 1035 . 1 . 1 108 108 LYS HD3 H 1 1.585 0.000 . 1 . . . . . 109 LYS HD3 . 51355 1 1036 . 1 . 1 108 108 LYS C C 13 178.136 0.004 . 1 . . . . . 109 LYS C . 51355 1 1037 . 1 . 1 108 108 LYS CA C 13 57.910 0.030 . 1 . . . . . 109 LYS CA . 51355 1 1038 . 1 . 1 108 108 LYS CB C 13 32.708 0.013 . 1 . . . . . 109 LYS CB . 51355 1 1039 . 1 . 1 108 108 LYS CG C 13 24.994 0.000 . 1 . . . . . 109 LYS CG . 51355 1 1040 . 1 . 1 108 108 LYS CD C 13 29.305 0.000 . 1 . . . . . 109 LYS CD . 51355 1 1041 . 1 . 1 108 108 LYS CE C 13 42.281 0.000 . 1 . . . . . 109 LYS CE . 51355 1 1042 . 1 . 1 108 108 LYS N N 15 119.883 0.013 . 1 . . . . . 109 LYS N . 51355 1 1043 . 1 . 1 109 109 GLU H H 1 8.364 0.002 . 1 . . . . . 110 GLU H . 51355 1 1044 . 1 . 1 109 109 GLU HA H 1 4.200 0.000 . 1 . . . . . 110 GLU HA . 51355 1 1045 . 1 . 1 109 109 GLU HB2 H 1 2.020 0.000 . 1 . . . . . 110 GLU HB2 . 51355 1 1046 . 1 . 1 109 109 GLU HB3 H 1 2.020 0.000 . 1 . . . . . 110 GLU HB3 . 51355 1 1047 . 1 . 1 109 109 GLU HG2 H 1 2.289 0.000 . 1 . . . . . 110 GLU HG2 . 51355 1 1048 . 1 . 1 109 109 GLU HG3 H 1 2.289 0.000 . 1 . . . . . 110 GLU HG3 . 51355 1 1049 . 1 . 1 109 109 GLU C C 13 177.918 0.006 . 1 . . . . . 110 GLU C . 51355 1 1050 . 1 . 1 109 109 GLU CA C 13 58.084 0.008 . 1 . . . . . 110 GLU CA . 51355 1 1051 . 1 . 1 109 109 GLU CB C 13 29.825 0.021 . 1 . . . . . 110 GLU CB . 51355 1 1052 . 1 . 1 109 109 GLU CG C 13 36.229 0.000 . 1 . . . . . 110 GLU CG . 51355 1 1053 . 1 . 1 109 109 GLU N N 15 120.967 0.000 . 1 . . . . . 110 GLU N . 51355 1 1054 . 1 . 1 110 110 GLU H H 1 8.396 0.002 . 1 . . . . . 111 GLU H . 51355 1 1055 . 1 . 1 110 110 GLU HA H 1 4.178 0.000 . 1 . . . . . 111 GLU HA . 51355 1 1056 . 1 . 1 110 110 GLU HB2 H 1 2.015 0.000 . 1 . . . . . 111 GLU HB2 . 51355 1 1057 . 1 . 1 110 110 GLU HB3 H 1 2.015 0.000 . 1 . . . . . 111 GLU HB3 . 51355 1 1058 . 1 . 1 110 110 GLU HG2 H 1 2.100 0.000 . 1 . . . . . 111 GLU HG2 . 51355 1 1059 . 1 . 1 110 110 GLU HG3 H 1 2.100 0.000 . 1 . . . . . 111 GLU HG3 . 51355 1 1060 . 1 . 1 110 110 GLU C C 13 177.870 0.034 . 1 . . . . . 111 GLU C . 51355 1 1061 . 1 . 1 110 110 GLU CA C 13 58.010 0.082 . 1 . . . . . 111 GLU CA . 51355 1 1062 . 1 . 1 110 110 GLU CB C 13 29.794 0.021 . 1 . . . . . 111 GLU CB . 51355 1 1063 . 1 . 1 110 110 GLU CG C 13 36.362 0.000 . 1 . . . . . 111 GLU CG . 51355 1 1064 . 1 . 1 110 110 GLU N N 15 121.025 0.070 . 1 . . . . . 111 GLU N . 51355 1 1065 . 1 . 1 111 111 GLN H H 1 8.200 0.004 . 1 . . . . . 112 GLN H . 51355 1 1066 . 1 . 1 111 111 GLN HA H 1 4.205 0.000 . 1 . . . . . 112 GLN HA . 51355 1 1067 . 1 . 1 111 111 GLN HB2 H 1 2.144 0.000 . 1 . . . . . 112 GLN HB2 . 51355 1 1068 . 1 . 1 111 111 GLN HB3 H 1 2.144 0.000 . 1 . . . . . 112 GLN HB3 . 51355 1 1069 . 1 . 1 111 111 GLN HG2 H 1 2.463 0.000 . 1 . . . . . 112 GLN HG2 . 51355 1 1070 . 1 . 1 111 111 GLN HG3 H 1 2.463 0.000 . 1 . . . . . 112 GLN HG3 . 51355 1 1071 . 1 . 1 111 111 GLN C C 13 177.327 0.014 . 1 . . . . . 112 GLN C . 51355 1 1072 . 1 . 1 111 111 GLN CA C 13 57.333 0.047 . 1 . . . . . 112 GLN CA . 51355 1 1073 . 1 . 1 111 111 GLN CB C 13 28.926 0.048 . 1 . . . . . 112 GLN CB . 51355 1 1074 . 1 . 1 111 111 GLN CG C 13 34.024 0.000 . 1 . . . . . 112 GLN CG . 51355 1 1075 . 1 . 1 111 111 GLN N N 15 119.540 0.017 . 1 . . . . . 112 GLN N . 51355 1 1076 . 1 . 1 112 112 ARG H H 1 8.128 0.002 . 1 . . . . . 113 ARG H . 51355 1 1077 . 1 . 1 112 112 ARG HA H 1 4.218 0.000 . 1 . . . . . 113 ARG HA . 51355 1 1078 . 1 . 1 112 112 ARG HB2 H 1 1.867 0.000 . 1 . . . . . 113 ARG HB2 . 51355 1 1079 . 1 . 1 112 112 ARG HB3 H 1 1.867 0.000 . 1 . . . . . 113 ARG HB3 . 51355 1 1080 . 1 . 1 112 112 ARG HG2 H 1 1.695 0.000 . 1 . . . . . 113 ARG HG2 . 51355 1 1081 . 1 . 1 112 112 ARG HG3 H 1 1.695 0.000 . 1 . . . . . 113 ARG HG3 . 51355 1 1082 . 1 . 1 112 112 ARG HD2 H 1 3.243 0.000 . 1 . . . . . 113 ARG HD2 . 51355 1 1083 . 1 . 1 112 112 ARG HD3 H 1 3.243 0.000 . 1 . . . . . 113 ARG HD3 . 51355 1 1084 . 1 . 1 112 112 ARG C C 13 177.018 0.000 . 1 . . . . . 113 ARG C . 51355 1 1085 . 1 . 1 112 112 ARG CA C 13 57.461 0.000 . 1 . . . . . 113 ARG CA . 51355 1 1086 . 1 . 1 112 112 ARG CB C 13 30.666 0.000 . 1 . . . . . 113 ARG CB . 51355 1 1087 . 1 . 1 112 112 ARG CG C 13 27.151 0.000 . 1 . . . . . 113 ARG CG . 51355 1 1088 . 1 . 1 112 112 ARG CD C 13 43.545 0.000 . 1 . . . . . 113 ARG CD . 51355 1 1089 . 1 . 1 112 112 ARG N N 15 120.304 0.019 . 1 . . . . . 113 ARG N . 51355 1 1090 . 1 . 1 113 113 ARG H H 1 8.288 0.000 . 1 . . . . . 114 ARG H . 51355 1 1091 . 1 . 1 113 113 ARG HA H 1 4.266 0.000 . 1 . . . . . 114 ARG HA . 51355 1 1092 . 1 . 1 113 113 ARG HB2 H 1 1.857 0.000 . 1 . . . . . 114 ARG HB2 . 51355 1 1093 . 1 . 1 113 113 ARG HB3 H 1 1.857 0.000 . 1 . . . . . 114 ARG HB3 . 51355 1 1094 . 1 . 1 113 113 ARG HG2 H 1 1.629 0.000 . 1 . . . . . 114 ARG HG2 . 51355 1 1095 . 1 . 1 113 113 ARG HG3 H 1 1.629 0.000 . 1 . . . . . 114 ARG HG3 . 51355 1 1096 . 1 . 1 113 113 ARG HD2 H 1 3.223 0.000 . 1 . . . . . 114 ARG HD2 . 51355 1 1097 . 1 . 1 113 113 ARG HD3 H 1 3.223 0.000 . 1 . . . . . 114 ARG HD3 . 51355 1 1098 . 1 . 1 113 113 ARG C C 13 177.035 0.000 . 1 . . . . . 114 ARG C . 51355 1 1099 . 1 . 1 113 113 ARG CA C 13 56.193 0.000 . 1 . . . . . 114 ARG CA . 51355 1 1100 . 1 . 1 113 113 ARG CB C 13 30.974 0.000 . 1 . . . . . 114 ARG CB . 51355 1 1101 . 1 . 1 113 113 ARG CG C 13 27.417 0.000 . 1 . . . . . 114 ARG CG . 51355 1 1102 . 1 . 1 113 113 ARG CD C 13 43.546 0.000 . 1 . . . . . 114 ARG CD . 51355 1 1103 . 1 . 1 113 113 ARG N N 15 122.297 0.000 . 1 . . . . . 114 ARG N . 51355 1 1104 . 1 . 1 114 114 LYS H H 1 8.134 0.002 . 1 . . . . . 115 LYS H . 51355 1 1105 . 1 . 1 114 114 LYS HA H 1 4.294 0.000 . 1 . . . . . 115 LYS HA . 51355 1 1106 . 1 . 1 114 114 LYS HB2 H 1 1.799 0.000 . 1 . . . . . 115 LYS HB2 . 51355 1 1107 . 1 . 1 114 114 LYS HB3 H 1 1.799 0.000 . 1 . . . . . 115 LYS HB3 . 51355 1 1108 . 1 . 1 114 114 LYS HG2 H 1 1.422 0.000 . 1 . . . . . 115 LYS HG2 . 51355 1 1109 . 1 . 1 114 114 LYS HG3 H 1 1.422 0.000 . 1 . . . . . 115 LYS HG3 . 51355 1 1110 . 1 . 1 114 114 LYS HD2 H 1 1.559 0.000 . 1 . . . . . 115 LYS HD2 . 51355 1 1111 . 1 . 1 114 114 LYS HD3 H 1 1.559 0.000 . 1 . . . . . 115 LYS HD3 . 51355 1 1112 . 1 . 1 114 114 LYS C C 13 176.950 0.000 . 1 . . . . . 115 LYS C . 51355 1 1113 . 1 . 1 114 114 LYS CA C 13 56.747 0.000 . 1 . . . . . 115 LYS CA . 51355 1 1114 . 1 . 1 114 114 LYS CB C 13 33.086 0.030 . 1 . . . . . 115 LYS CB . 51355 1 1115 . 1 . 1 114 114 LYS CG C 13 24.976 0.000 . 1 . . . . . 115 LYS CG . 51355 1 1116 . 1 . 1 114 114 LYS CD C 13 29.056 0.000 . 1 . . . . . 115 LYS CD . 51355 1 1117 . 1 . 1 114 114 LYS CE C 13 42.429 0.000 . 1 . . . . . 115 LYS CE . 51355 1 1118 . 1 . 1 114 114 LYS N N 15 121.231 0.005 . 1 . . . . . 115 LYS N . 51355 1 1119 . 1 . 1 115 115 LYS H H 1 8.181 0.002 . 1 . . . . . 116 LYS H . 51355 1 1120 . 1 . 1 115 115 LYS HA H 1 4.297 0.000 . 1 . . . . . 116 LYS HA . 51355 1 1121 . 1 . 1 115 115 LYS HB2 H 1 1.839 0.000 . 1 . . . . . 116 LYS HB2 . 51355 1 1122 . 1 . 1 115 115 LYS HB3 H 1 1.839 0.000 . 1 . . . . . 116 LYS HB3 . 51355 1 1123 . 1 . 1 115 115 LYS HG2 H 1 1.410 0.000 . 1 . . . . . 116 LYS HG2 . 51355 1 1124 . 1 . 1 115 115 LYS HG3 H 1 1.410 0.000 . 1 . . . . . 116 LYS HG3 . 51355 1 1125 . 1 . 1 115 115 LYS HD2 H 1 1.560 0.000 . 1 . . . . . 116 LYS HD2 . 51355 1 1126 . 1 . 1 115 115 LYS HD3 H 1 1.560 0.000 . 1 . . . . . 116 LYS HD3 . 51355 1 1127 . 1 . 1 115 115 LYS HE2 H 1 2.972 0.000 . 1 . . . . . 116 LYS HE2 . 51355 1 1128 . 1 . 1 115 115 LYS HE3 H 1 2.972 0.000 . 1 . . . . . 116 LYS HE3 . 51355 1 1129 . 1 . 1 115 115 LYS C C 13 176.641 0.049 . 1 . . . . . 116 LYS C . 51355 1 1130 . 1 . 1 115 115 LYS CA C 13 56.532 0.041 . 1 . . . . . 116 LYS CA . 51355 1 1131 . 1 . 1 115 115 LYS CB C 13 33.091 0.030 . 1 . . . . . 116 LYS CB . 51355 1 1132 . 1 . 1 115 115 LYS CG C 13 24.976 0.000 . 1 . . . . . 116 LYS CG . 51355 1 1133 . 1 . 1 115 115 LYS CD C 13 29.245 0.000 . 1 . . . . . 116 LYS CD . 51355 1 1134 . 1 . 1 115 115 LYS CE C 13 42.141 0.000 . 1 . . . . . 116 LYS CE . 51355 1 1135 . 1 . 1 115 115 LYS N N 15 121.841 0.017 . 1 . . . . . 116 LYS N . 51355 1 1136 . 1 . 1 116 116 ARG H H 1 8.454 0.004 . 1 . . . . . 117 ARG H . 51355 1 1137 . 1 . 1 116 116 ARG HA H 1 4.371 0.000 . 1 . . . . . 117 ARG HA . 51355 1 1138 . 1 . 1 116 116 ARG HB2 H 1 1.736 0.000 . 1 . . . . . 117 ARG HB2 . 51355 1 1139 . 1 . 1 116 116 ARG HB3 H 1 1.736 0.000 . 1 . . . . . 117 ARG HB3 . 51355 1 1140 . 1 . 1 116 116 ARG HG2 H 1 1.567 0.000 . 1 . . . . . 117 ARG HG2 . 51355 1 1141 . 1 . 1 116 116 ARG HG3 H 1 1.567 0.000 . 1 . . . . . 117 ARG HG3 . 51355 1 1142 . 1 . 1 116 116 ARG HD2 H 1 3.197 0.000 . 1 . . . . . 117 ARG HD2 . 51355 1 1143 . 1 . 1 116 116 ARG HD3 H 1 3.197 0.000 . 1 . . . . . 117 ARG HD3 . 51355 1 1144 . 1 . 1 116 116 ARG C C 13 176.000 0.019 . 1 . . . . . 117 ARG C . 51355 1 1145 . 1 . 1 116 116 ARG CA C 13 56.256 0.070 . 1 . . . . . 117 ARG CA . 51355 1 1146 . 1 . 1 116 116 ARG CB C 13 30.831 0.000 . 1 . . . . . 117 ARG CB . 51355 1 1147 . 1 . 1 116 116 ARG CG C 13 27.388 0.000 . 1 . . . . . 117 ARG CG . 51355 1 1148 . 1 . 1 116 116 ARG CD C 13 43.603 0.000 . 1 . . . . . 117 ARG CD . 51355 1 1149 . 1 . 1 116 116 ARG N N 15 122.975 0.000 . 1 . . . . . 117 ARG N . 51355 1 1150 . 1 . 1 117 117 ARG H H 1 8.402 0.005 . 1 . . . . . 118 ARG H . 51355 1 1151 . 1 . 1 117 117 ARG HA H 1 4.340 0.000 . 1 . . . . . 118 ARG HA . 51355 1 1152 . 1 . 1 117 117 ARG HB2 H 1 1.839 0.000 . 1 . . . . . 118 ARG HB2 . 51355 1 1153 . 1 . 1 117 117 ARG HB3 H 1 1.839 0.000 . 1 . . . . . 118 ARG HB3 . 51355 1 1154 . 1 . 1 117 117 ARG HG2 H 1 1.711 0.000 . 1 . . . . . 118 ARG HG2 . 51355 1 1155 . 1 . 1 117 117 ARG HG3 H 1 1.711 0.000 . 1 . . . . . 118 ARG HG3 . 51355 1 1156 . 1 . 1 117 117 ARG HD2 H 1 3.223 0.000 . 1 . . . . . 118 ARG HD2 . 51355 1 1157 . 1 . 1 117 117 ARG HD3 H 1 3.223 0.000 . 1 . . . . . 118 ARG HD3 . 51355 1 1158 . 1 . 1 117 117 ARG C C 13 175.234 0.014 . 1 . . . . . 118 ARG C . 51355 1 1159 . 1 . 1 117 117 ARG CA C 13 56.226 0.032 . 1 . . . . . 118 ARG CA . 51355 1 1160 . 1 . 1 117 117 ARG CB C 13 30.842 0.039 . 1 . . . . . 118 ARG CB . 51355 1 1161 . 1 . 1 117 117 ARG CG C 13 27.229 0.000 . 1 . . . . . 118 ARG CG . 51355 1 1162 . 1 . 1 117 117 ARG CD C 13 43.582 0.000 . 1 . . . . . 118 ARG CD . 51355 1 1163 . 1 . 1 117 117 ARG N N 15 123.246 0.025 . 1 . . . . . 118 ARG N . 51355 1 1164 . 1 . 1 118 118 LEU H H 1 7.989 0.003 . 1 . . . . . 119 LEU H . 51355 1 1165 . 1 . 1 118 118 LEU HA H 1 4.187 0.000 . 1 . . . . . 119 LEU HA . 51355 1 1166 . 1 . 1 118 118 LEU HB2 H 1 1.603 0.000 . 1 . . . . . 119 LEU HB2 . 51355 1 1167 . 1 . 1 118 118 LEU HB3 H 1 1.603 0.000 . 1 . . . . . 119 LEU HB3 . 51355 1 1168 . 1 . 1 118 118 LEU HG H 1 1.578 0.000 . 1 . . . . . 119 LEU HG . 51355 1 1169 . 1 . 1 118 118 LEU HD11 H 1 0.908 0.000 . 1 . . . . . 119 LEU HD11 . 51355 1 1170 . 1 . 1 118 118 LEU HD12 H 1 0.908 0.000 . 1 . . . . . 119 LEU HD12 . 51355 1 1171 . 1 . 1 118 118 LEU HD13 H 1 0.908 0.000 . 1 . . . . . 119 LEU HD13 . 51355 1 1172 . 1 . 1 118 118 LEU HD21 H 1 0.908 0.000 . 1 . . . . . 119 LEU HD21 . 51355 1 1173 . 1 . 1 118 118 LEU HD22 H 1 0.908 0.000 . 1 . . . . . 119 LEU HD22 . 51355 1 1174 . 1 . 1 118 118 LEU HD23 H 1 0.908 0.000 . 1 . . . . . 119 LEU HD23 . 51355 1 1175 . 1 . 1 118 118 LEU CA C 13 56.848 0.009 . 1 . . . . . 119 LEU CA . 51355 1 1176 . 1 . 1 118 118 LEU CB C 13 43.399 0.000 . 1 . . . . . 119 LEU CB . 51355 1 1177 . 1 . 1 118 118 LEU N N 15 129.646 0.024 . 1 . . . . . 119 LEU N . 51355 1 stop_ save_