data_52737 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52737 _Entry.Title ; SERBP1 1-149 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-12-02 _Entry.Accession_date 2024-12-02 _Entry.Last_release_date 2024-12-02 _Entry.Original_release_date 2024-12-02 _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 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'Assignment of backbone chemical shifts for the SERBP1 1-149 protein.' _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 Antoine Baudin . . . 0000-0002-1390-1196 52737 2 Hoang Dinh . . . . 52737 3 Xiaoping Xu . . . . 52737 4 David Libich . S. . 0000-0001-6492-2803 52737 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52737 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 406 52737 '15N chemical shifts' 129 52737 '1H chemical shifts' 271 52737 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2025-11-19 . original BMRB . 52737 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52737 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 40153110 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; The 1H, 15N and 13C backbone resonance assignments of the N-terminal (1-149) domain of Serpine mRNA Binding Protein 1 (SERBP1) ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 19 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 101 _Citation.Page_last 107 _Citation.Year 2025 _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 Antoine Baudin . . . . 52737 1 2 Hoang Dinh . . . . 52737 1 3 Xiaoping Xu . . . . 52737 1 4 David Libich . S. . . 52737 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52737 _Assembly.ID 1 _Assembly.Name 'SERBP1 1-149' _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 SERBP1 1 $entity_1 . . yes native no no . . . 52737 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52737 _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 ; MPGHLQEGFGCVVTNRFDQL FDDESDPFEVLKAAENKKKE AGGGGVGGPGAKSAAQAAAQ TNSNAAGKQLRKESQKDRKN PLPPSVGVVDKKEETQPPVA LKKEGIRRVGRRPDQQLQGE GKIIDRRPERRPPRERRFEK PLEEKGEGG ; _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 149 _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_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 . MET . 52737 1 2 . PRO . 52737 1 3 . GLY . 52737 1 4 . HIS . 52737 1 5 . LEU . 52737 1 6 . GLN . 52737 1 7 . GLU . 52737 1 8 . GLY . 52737 1 9 . PHE . 52737 1 10 . GLY . 52737 1 11 . CYS . 52737 1 12 . VAL . 52737 1 13 . VAL . 52737 1 14 . THR . 52737 1 15 . ASN . 52737 1 16 . ARG . 52737 1 17 . PHE . 52737 1 18 . ASP . 52737 1 19 . GLN . 52737 1 20 . LEU . 52737 1 21 . PHE . 52737 1 22 . ASP . 52737 1 23 . ASP . 52737 1 24 . GLU . 52737 1 25 . SER . 52737 1 26 . ASP . 52737 1 27 . PRO . 52737 1 28 . PHE . 52737 1 29 . GLU . 52737 1 30 . VAL . 52737 1 31 . LEU . 52737 1 32 . LYS . 52737 1 33 . ALA . 52737 1 34 . ALA . 52737 1 35 . GLU . 52737 1 36 . ASN . 52737 1 37 . LYS . 52737 1 38 . LYS . 52737 1 39 . LYS . 52737 1 40 . GLU . 52737 1 41 . ALA . 52737 1 42 . GLY . 52737 1 43 . GLY . 52737 1 44 . GLY . 52737 1 45 . GLY . 52737 1 46 . VAL . 52737 1 47 . GLY . 52737 1 48 . GLY . 52737 1 49 . PRO . 52737 1 50 . GLY . 52737 1 51 . ALA . 52737 1 52 . LYS . 52737 1 53 . SER . 52737 1 54 . ALA . 52737 1 55 . ALA . 52737 1 56 . GLN . 52737 1 57 . ALA . 52737 1 58 . ALA . 52737 1 59 . ALA . 52737 1 60 . GLN . 52737 1 61 . THR . 52737 1 62 . ASN . 52737 1 63 . SER . 52737 1 64 . ASN . 52737 1 65 . ALA . 52737 1 66 . ALA . 52737 1 67 . GLY . 52737 1 68 . LYS . 52737 1 69 . GLN . 52737 1 70 . LEU . 52737 1 71 . ARG . 52737 1 72 . LYS . 52737 1 73 . GLU . 52737 1 74 . SER . 52737 1 75 . GLN . 52737 1 76 . LYS . 52737 1 77 . ASP . 52737 1 78 . ARG . 52737 1 79 . LYS . 52737 1 80 . ASN . 52737 1 81 . PRO . 52737 1 82 . LEU . 52737 1 83 . PRO . 52737 1 84 . PRO . 52737 1 85 . SER . 52737 1 86 . VAL . 52737 1 87 . GLY . 52737 1 88 . VAL . 52737 1 89 . VAL . 52737 1 90 . ASP . 52737 1 91 . LYS . 52737 1 92 . LYS . 52737 1 93 . GLU . 52737 1 94 . GLU . 52737 1 95 . THR . 52737 1 96 . GLN . 52737 1 97 . PRO . 52737 1 98 . PRO . 52737 1 99 . VAL . 52737 1 100 . ALA . 52737 1 101 . LEU . 52737 1 102 . LYS . 52737 1 103 . LYS . 52737 1 104 . GLU . 52737 1 105 . GLY . 52737 1 106 . ILE . 52737 1 107 . ARG . 52737 1 108 . ARG . 52737 1 109 . VAL . 52737 1 110 . GLY . 52737 1 111 . ARG . 52737 1 112 . ARG . 52737 1 113 . PRO . 52737 1 114 . ASP . 52737 1 115 . GLN . 52737 1 116 . GLN . 52737 1 117 . LEU . 52737 1 118 . GLN . 52737 1 119 . GLY . 52737 1 120 . GLU . 52737 1 121 . GLY . 52737 1 122 . LYS . 52737 1 123 . ILE . 52737 1 124 . ILE . 52737 1 125 . ASP . 52737 1 126 . ARG . 52737 1 127 . ARG . 52737 1 128 . PRO . 52737 1 129 . GLU . 52737 1 130 . ARG . 52737 1 131 . ARG . 52737 1 132 . PRO . 52737 1 133 . PRO . 52737 1 134 . ARG . 52737 1 135 . GLU . 52737 1 136 . ARG . 52737 1 137 . ARG . 52737 1 138 . PHE . 52737 1 139 . GLU . 52737 1 140 . LYS . 52737 1 141 . PRO . 52737 1 142 . LEU . 52737 1 143 . GLU . 52737 1 144 . GLU . 52737 1 145 . LYS . 52737 1 146 . GLY . 52737 1 147 . GLU . 52737 1 148 . GLY . 52737 1 149 . GLY . 52737 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 52737 1 . PRO 2 2 52737 1 . GLY 3 3 52737 1 . HIS 4 4 52737 1 . LEU 5 5 52737 1 . GLN 6 6 52737 1 . GLU 7 7 52737 1 . GLY 8 8 52737 1 . PHE 9 9 52737 1 . GLY 10 10 52737 1 . CYS 11 11 52737 1 . VAL 12 12 52737 1 . VAL 13 13 52737 1 . THR 14 14 52737 1 . ASN 15 15 52737 1 . ARG 16 16 52737 1 . PHE 17 17 52737 1 . ASP 18 18 52737 1 . GLN 19 19 52737 1 . LEU 20 20 52737 1 . PHE 21 21 52737 1 . ASP 22 22 52737 1 . ASP 23 23 52737 1 . GLU 24 24 52737 1 . SER 25 25 52737 1 . ASP 26 26 52737 1 . PRO 27 27 52737 1 . PHE 28 28 52737 1 . GLU 29 29 52737 1 . VAL 30 30 52737 1 . LEU 31 31 52737 1 . LYS 32 32 52737 1 . ALA 33 33 52737 1 . ALA 34 34 52737 1 . GLU 35 35 52737 1 . ASN 36 36 52737 1 . LYS 37 37 52737 1 . LYS 38 38 52737 1 . LYS 39 39 52737 1 . GLU 40 40 52737 1 . ALA 41 41 52737 1 . GLY 42 42 52737 1 . GLY 43 43 52737 1 . GLY 44 44 52737 1 . GLY 45 45 52737 1 . VAL 46 46 52737 1 . GLY 47 47 52737 1 . GLY 48 48 52737 1 . PRO 49 49 52737 1 . GLY 50 50 52737 1 . ALA 51 51 52737 1 . LYS 52 52 52737 1 . SER 53 53 52737 1 . ALA 54 54 52737 1 . ALA 55 55 52737 1 . GLN 56 56 52737 1 . ALA 57 57 52737 1 . ALA 58 58 52737 1 . ALA 59 59 52737 1 . GLN 60 60 52737 1 . THR 61 61 52737 1 . ASN 62 62 52737 1 . SER 63 63 52737 1 . ASN 64 64 52737 1 . ALA 65 65 52737 1 . ALA 66 66 52737 1 . GLY 67 67 52737 1 . LYS 68 68 52737 1 . GLN 69 69 52737 1 . LEU 70 70 52737 1 . ARG 71 71 52737 1 . LYS 72 72 52737 1 . GLU 73 73 52737 1 . SER 74 74 52737 1 . GLN 75 75 52737 1 . LYS 76 76 52737 1 . ASP 77 77 52737 1 . ARG 78 78 52737 1 . LYS 79 79 52737 1 . ASN 80 80 52737 1 . PRO 81 81 52737 1 . LEU 82 82 52737 1 . PRO 83 83 52737 1 . PRO 84 84 52737 1 . SER 85 85 52737 1 . VAL 86 86 52737 1 . GLY 87 87 52737 1 . VAL 88 88 52737 1 . VAL 89 89 52737 1 . ASP 90 90 52737 1 . LYS 91 91 52737 1 . LYS 92 92 52737 1 . GLU 93 93 52737 1 . GLU 94 94 52737 1 . THR 95 95 52737 1 . GLN 96 96 52737 1 . PRO 97 97 52737 1 . PRO 98 98 52737 1 . VAL 99 99 52737 1 . ALA 100 100 52737 1 . LEU 101 101 52737 1 . LYS 102 102 52737 1 . LYS 103 103 52737 1 . GLU 104 104 52737 1 . GLY 105 105 52737 1 . ILE 106 106 52737 1 . ARG 107 107 52737 1 . ARG 108 108 52737 1 . VAL 109 109 52737 1 . GLY 110 110 52737 1 . ARG 111 111 52737 1 . ARG 112 112 52737 1 . PRO 113 113 52737 1 . ASP 114 114 52737 1 . GLN 115 115 52737 1 . GLN 116 116 52737 1 . LEU 117 117 52737 1 . GLN 118 118 52737 1 . GLY 119 119 52737 1 . GLU 120 120 52737 1 . GLY 121 121 52737 1 . LYS 122 122 52737 1 . ILE 123 123 52737 1 . ILE 124 124 52737 1 . ASP 125 125 52737 1 . ARG 126 126 52737 1 . ARG 127 127 52737 1 . PRO 128 128 52737 1 . GLU 129 129 52737 1 . ARG 130 130 52737 1 . ARG 131 131 52737 1 . PRO 132 132 52737 1 . PRO 133 133 52737 1 . ARG 134 134 52737 1 . GLU 135 135 52737 1 . ARG 136 136 52737 1 . ARG 137 137 52737 1 . PHE 138 138 52737 1 . GLU 139 139 52737 1 . LYS 140 140 52737 1 . PRO 141 141 52737 1 . LEU 142 142 52737 1 . GLU 143 143 52737 1 . GLU 144 144 52737 1 . LYS 145 145 52737 1 . GLY 146 146 52737 1 . GLU 147 147 52737 1 . GLY 148 148 52737 1 . GLY 149 149 52737 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 52737 _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 . . . . . . . . . . . . . 52737 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 52737 _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 BL21 DE3* . plasmid . . pAG8Ha-SERBP1(1-149) . . . 52737 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52737 _Sample.ID 1 _Sample.Name '13C15N-SERBP1 1-149' _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 'SERBP1 1-149' '[U-13C; U-15N]' . . 1 $entity_1 . . 400 . . uM . . . . 52737 1 2 Na2HPO4 'natural abundance' . . . . . . 20 . . mM . . . . 52737 1 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 52737 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 52737 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'SERBP1 1-149' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 52737 1 pH 6.8 . pH 52737 1 pressure 1 . atm 52737 1 temperature 278 . K 52737 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52737 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version 3 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52737 1 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 52737 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '700 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 52737 _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 HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52737 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52737 1 3 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52737 1 4 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52737 1 5 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52737 1 6 '3D HNHA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52737 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 52737 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'SERBP1 1-149 backbone' _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 . . . . . 52737 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 52737 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 52737 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 52737 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'SERBP1 1-149 backbone' _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 2 '3D CBCA(CO)NH' . . . 52737 1 3 '3D HNCACB' . . . 52737 1 4 '3D HNCO' . . . 52737 1 5 '3D HN(CA)CO' . . . 52737 1 6 '3D HNHA' . . . 52737 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 . . 52737 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 3 3 GLY H H 1 8.675179116 0.00330715612 . . . . . . . 3 GLY H . 52737 1 2 . 1 . 1 3 3 GLY HA2 H 1 3.917705261 . . . . . . . . 3 GLY HA . 52737 1 3 . 1 . 1 3 3 GLY HA3 H 1 3.917705261 . . . . . . . . 3 GLY HA . 52737 1 4 . 1 . 1 3 3 GLY C C 13 174.0660122 0.01358045581 . . . . . . . 3 GLY C . 52737 1 5 . 1 . 1 3 3 GLY CA C 13 45.23197614 0.03682831361 . . . . . . . 3 GLY CA . 52737 1 6 . 1 . 1 3 3 GLY N N 15 109.8574579 0.0111411348 . . . . . . . 3 GLY N . 52737 1 7 . 1 . 1 4 4 HIS H H 1 8.332166715 0.007580071653 . . . . . . . 4 HIS H . 52737 1 8 . 1 . 1 4 4 HIS HA H 1 4.633455225 . . . . . . . . 4 HIS HA . 52737 1 9 . 1 . 1 4 4 HIS C C 13 174.9352819 0.04159083152 . . . . . . . 4 HIS C . 52737 1 10 . 1 . 1 4 4 HIS CA C 13 55.82369384 0.04114774696 . . . . . . . 4 HIS CA . 52737 1 11 . 1 . 1 4 4 HIS CB C 13 29.83739246 0.0136415112 . . . . . . . 4 HIS CB . 52737 1 12 . 1 . 1 4 4 HIS N N 15 118.5089551 0.02932326865 . . . . . . . 4 HIS N . 52737 1 13 . 1 . 1 5 5 LEU H H 1 8.377903088 0.006986757434 . . . . . . . 5 LEU H . 52737 1 14 . 1 . 1 5 5 LEU C C 13 177.2289542 0.01479445267 . . . . . . . 5 LEU C . 52737 1 15 . 1 . 1 5 5 LEU CA C 13 55.29049333 0.0291103002 . . . . . . . 5 LEU CA . 52737 1 16 . 1 . 1 5 5 LEU CB C 13 42.14392263 0.02633812797 . . . . . . . 5 LEU CB . 52737 1 17 . 1 . 1 5 5 LEU N N 15 123.504363 0.008674995663 . . . . . . . 5 LEU N . 52737 1 18 . 1 . 1 6 6 GLN H H 1 8.49624401 0.003850077014 . . . . . . . 6 GLN H . 52737 1 19 . 1 . 1 6 6 GLN HA H 1 4.313555242 . . . . . . . . 6 GLN HA . 52737 1 20 . 1 . 1 6 6 GLN C C 13 175.8907014 0.004238817895 . . . . . . . 6 GLN C . 52737 1 21 . 1 . 1 6 6 GLN CA C 13 55.80129873 0.05031030936 . . . . . . . 6 GLN CA . 52737 1 22 . 1 . 1 6 6 GLN CB C 13 29.41023408 0.06586713439 . . . . . . . 6 GLN CB . 52737 1 23 . 1 . 1 6 6 GLN N N 15 121.3278066 0.004441239687 . . . . . . . 6 GLN N . 52737 1 24 . 1 . 1 7 7 GLU H H 1 8.583567925 0.0065887367 . . . . . . . 7 GLU H . 52737 1 25 . 1 . 1 7 7 GLU HA H 1 4.280172681 . . . . . . . . 7 GLU HA . 52737 1 26 . 1 . 1 7 7 GLU C C 13 176.8956803 . . . . . . . . 7 GLU C . 52737 1 27 . 1 . 1 7 7 GLU CA C 13 56.87946096 . . . . . . . . 7 GLU CA . 52737 1 28 . 1 . 1 7 7 GLU CB C 13 30.25004176 . . . . . . . . 7 GLU CB . 52737 1 29 . 1 . 1 7 7 GLU N N 15 122.9445723 0.005873830078 . . . . . . . 7 GLU N . 52737 1 30 . 1 . 1 8 8 GLY C C 13 174.079671 0.007062457928 . . . . . . . 8 GLY C . 52737 1 31 . 1 . 1 8 8 GLY CA C 13 45.12675651 0.02098849944 . . . . . . . 8 GLY CA . 52737 1 32 . 1 . 1 9 9 PHE H H 1 8.298630381 0.001697421928 . . . . . . . 9 PHE H . 52737 1 33 . 1 . 1 9 9 PHE HA H 1 4.604392849 . . . . . . . . 9 PHE HA . 52737 1 34 . 1 . 1 9 9 PHE C C 13 176.5603929 0.008848583363 . . . . . . . 9 PHE C . 52737 1 35 . 1 . 1 9 9 PHE CA C 13 58.38772359 0.007363152863 . . . . . . . 9 PHE CA . 52737 1 36 . 1 . 1 9 9 PHE CB C 13 39.50616716 0.01829037409 . . . . . . . 9 PHE CB . 52737 1 37 . 1 . 1 9 9 PHE N N 15 120.3555243 0.008343127084 . . . . . . . 9 PHE N . 52737 1 38 . 1 . 1 10 10 GLY H H 1 8.568400728 0.004309984647 . . . . . . . 10 GLY H . 52737 1 39 . 1 . 1 10 10 GLY HA2 H 1 3.899289175 . . . . . . . . 10 GLY HA . 52737 1 40 . 1 . 1 10 10 GLY HA3 H 1 3.899289175 . . . . . . . . 10 GLY HA . 52737 1 41 . 1 . 1 10 10 GLY C C 13 173.8766486 0.004828708381 . . . . . . . 10 GLY C . 52737 1 42 . 1 . 1 10 10 GLY CA C 13 45.23493277 0.04285725309 . . . . . . . 10 GLY CA . 52737 1 43 . 1 . 1 10 10 GLY N N 15 111.2011121 0.003652223267 . . . . . . . 10 GLY N . 52737 1 44 . 1 . 1 11 11 CYS H H 1 8.197295961 0.003384987456 . . . . . . . 11 CYS H . 52737 1 45 . 1 . 1 11 11 CYS HA H 1 4.534673547 . . . . . . . . 11 CYS HA . 52737 1 46 . 1 . 1 11 11 CYS C C 13 174.5526987 0.00808545603 . . . . . . . 11 CYS C . 52737 1 47 . 1 . 1 11 11 CYS CA C 13 58.47564291 0.02165577943 . . . . . . . 11 CYS CA . 52737 1 48 . 1 . 1 11 11 CYS CB C 13 28.18966424 0.03769658162 . . . . . . . 11 CYS CB . 52737 1 49 . 1 . 1 11 11 CYS N N 15 118.9871024 0.003953205857 . . . . . . . 11 CYS N . 52737 1 50 . 1 . 1 12 12 VAL H H 1 8.425827907 0.001178762444 . . . . . . . 12 VAL H . 52737 1 51 . 1 . 1 12 12 VAL HA H 1 4.099292744 . . . . . . . . 12 VAL HA . 52737 1 52 . 1 . 1 12 12 VAL C C 13 176.1711611 0.005221187031 . . . . . . . 12 VAL C . 52737 1 53 . 1 . 1 12 12 VAL CA C 13 62.55017539 0.02034639616 . . . . . . . 12 VAL CA . 52737 1 54 . 1 . 1 12 12 VAL CB C 13 32.78526911 0.09100579008 . . . . . . . 12 VAL CB . 52737 1 55 . 1 . 1 12 12 VAL N N 15 123.5235353 0.005812207848 . . . . . . . 12 VAL N . 52737 1 56 . 1 . 1 13 13 VAL H H 1 8.494358852 0.002033516249 . . . . . . . 13 VAL H . 52737 1 57 . 1 . 1 13 13 VAL HA H 1 4.188528123 . . . . . . . . 13 VAL HA . 52737 1 58 . 1 . 1 13 13 VAL C C 13 176.2758021 0.01679035372 . . . . . . . 13 VAL C . 52737 1 59 . 1 . 1 13 13 VAL CA C 13 62.35842491 0.02996042956 . . . . . . . 13 VAL CA . 52737 1 60 . 1 . 1 13 13 VAL CB C 13 32.76886853 0.0180990296 . . . . . . . 13 VAL CB . 52737 1 61 . 1 . 1 13 13 VAL N N 15 125.6263117 0.004022706565 . . . . . . . 13 VAL N . 52737 1 62 . 1 . 1 14 14 THR H H 1 8.396346628 0.0005048380831 . . . . . . . 14 THR H . 52737 1 63 . 1 . 1 14 14 THR HA H 1 4.309223449 . . . . . . . . 14 THR HA . 52737 1 64 . 1 . 1 14 14 THR C C 13 174.0676253 0.0109788041 . . . . . . . 14 THR C . 52737 1 65 . 1 . 1 14 14 THR CA C 13 61.82576417 0.01422147446 . . . . . . . 14 THR CA . 52737 1 66 . 1 . 1 14 14 THR CB C 13 69.83497278 0.03590531439 . . . . . . . 14 THR CB . 52737 1 67 . 1 . 1 14 14 THR N N 15 118.973898 0.0032583335 . . . . . . . 14 THR N . 52737 1 68 . 1 . 1 15 15 ASN H H 1 8.55625291 0.004578603651 . . . . . . . 15 ASN H . 52737 1 69 . 1 . 1 15 15 ASN HA H 1 4.678511089 . . . . . . . . 15 ASN HA . 52737 1 70 . 1 . 1 15 15 ASN C C 13 175.076614 0.008519919679 . . . . . . . 15 ASN C . 52737 1 71 . 1 . 1 15 15 ASN CA C 13 53.09554728 0.04780257232 . . . . . . . 15 ASN CA . 52737 1 72 . 1 . 1 15 15 ASN CB C 13 38.92246348 0.01044428715 . . . . . . . 15 ASN CB . 52737 1 73 . 1 . 1 15 15 ASN N N 15 121.6779292 0.006011930214 . . . . . . . 15 ASN N . 52737 1 74 . 1 . 1 16 16 ARG H H 1 8.396250135 0.006018944052 . . . . . . . 16 ARG H . 52737 1 75 . 1 . 1 16 16 ARG HA H 1 4.186873871 . . . . . . . . 16 ARG HA . 52737 1 76 . 1 . 1 16 16 ARG C C 13 176.2686618 0.006964524411 . . . . . . . 16 ARG C . 52737 1 77 . 1 . 1 16 16 ARG CA C 13 56.41120286 0.0753961509 . . . . . . . 16 ARG CA . 52737 1 78 . 1 . 1 16 16 ARG CB C 13 30.6311339 0.01761462234 . . . . . . . 16 ARG CB . 52737 1 79 . 1 . 1 16 16 ARG N N 15 121.6468943 0.008075687983 . . . . . . . 16 ARG N . 52737 1 80 . 1 . 1 17 17 PHE H H 1 8.414242413 0.005790386712 . . . . . . . 17 PHE H . 52737 1 81 . 1 . 1 17 17 PHE HA H 1 4.613424843 . . . . . . . . 17 PHE HA . 52737 1 82 . 1 . 1 17 17 PHE C C 13 175.6192018 0.005555392166 . . . . . . . 17 PHE C . 52737 1 83 . 1 . 1 17 17 PHE CA C 13 58.02914126 0.06578562083 . . . . . . . 17 PHE CA . 52737 1 84 . 1 . 1 17 17 PHE CB C 13 39.11479649 0.02394830956 . . . . . . . 17 PHE CB . 52737 1 85 . 1 . 1 17 17 PHE N N 15 120.6070566 0.007434513453 . . . . . . . 17 PHE N . 52737 1 86 . 1 . 1 18 18 ASP H H 1 8.254678536 0.00125515204 . . . . . . . 18 ASP H . 52737 1 87 . 1 . 1 18 18 ASP HA H 1 4.554614827 . . . . . . . . 18 ASP HA . 52737 1 88 . 1 . 1 18 18 ASP C C 13 175.8836446 0.008708654968 . . . . . . . 18 ASP C . 52737 1 89 . 1 . 1 18 18 ASP CA C 13 54.35826662 0.03056066375 . . . . . . . 18 ASP CA . 52737 1 90 . 1 . 1 18 18 ASP CB C 13 40.93608145 0.01106271748 . . . . . . . 18 ASP CB . 52737 1 91 . 1 . 1 18 18 ASP N N 15 120.7935529 0.004948529739 . . . . . . . 18 ASP N . 52737 1 92 . 1 . 1 19 19 GLN H H 1 8.170350053 0.002078772883 . . . . . . . 19 GLN H . 52737 1 93 . 1 . 1 19 19 GLN HA H 1 4.235260093 . . . . . . . . 19 GLN HA . 52737 1 94 . 1 . 1 19 19 GLN C C 13 175.4531623 0.0008250401812 . . . . . . . 19 GLN C . 52737 1 95 . 1 . 1 19 19 GLN CA C 13 55.78302267 0.05613005194 . . . . . . . 19 GLN CA . 52737 1 96 . 1 . 1 19 19 GLN CB C 13 29.45995071 0.03197632565 . . . . . . . 19 GLN CB . 52737 1 97 . 1 . 1 19 19 GLN N N 15 119.9468997 0.00562082908 . . . . . . . 19 GLN N . 52737 1 98 . 1 . 1 20 20 LEU H H 1 8.280010872 0.006292772886 . . . . . . . 20 LEU H . 52737 1 99 . 1 . 1 20 20 LEU HA H 1 4.287749888 . . . . . . . . 20 LEU HA . 52737 1 100 . 1 . 1 20 20 LEU C C 13 176.9489885 0.0244600433 . . . . . . . 20 LEU C . 52737 1 101 . 1 . 1 20 20 LEU CA C 13 55.08879475 0.05540116016 . . . . . . . 20 LEU CA . 52737 1 102 . 1 . 1 20 20 LEU CB C 13 42.29617432 0.02951031601 . . . . . . . 20 LEU CB . 52737 1 103 . 1 . 1 20 20 LEU N N 15 122.9821906 0.01851170084 . . . . . . . 20 LEU N . 52737 1 104 . 1 . 1 21 21 PHE H H 1 8.294255708 0.001594204246 . . . . . . . 21 PHE H . 52737 1 105 . 1 . 1 21 21 PHE HA H 1 4.626445076 . . . . . . . . 21 PHE HA . 52737 1 106 . 1 . 1 21 21 PHE C C 13 175.3439173 0.005709689787 . . . . . . . 21 PHE C . 52737 1 107 . 1 . 1 21 21 PHE CA C 13 57.39676756 0.03191770816 . . . . . . . 21 PHE CA . 52737 1 108 . 1 . 1 21 21 PHE CB C 13 39.9767991 0.02295247466 . . . . . . . 21 PHE CB . 52737 1 109 . 1 . 1 21 21 PHE N N 15 120.4822805 0.003267314374 . . . . . . . 21 PHE N . 52737 1 110 . 1 . 1 22 22 ASP H H 1 8.467515995 0.006333172814 . . . . . . . 22 ASP H . 52737 1 111 . 1 . 1 22 22 ASP HA H 1 4.609143578 . . . . . . . . 22 ASP HA . 52737 1 112 . 1 . 1 22 22 ASP C C 13 175.8785496 0.00203842124 . . . . . . . 22 ASP C . 52737 1 113 . 1 . 1 22 22 ASP CA C 13 54.1832112 0.05596611201 . . . . . . . 22 ASP CA . 52737 1 114 . 1 . 1 22 22 ASP CB C 13 41.29175645 0.005783825711 . . . . . . . 22 ASP CB . 52737 1 115 . 1 . 1 22 22 ASP N N 15 122.173304 0.007926795433 . . . . . . . 22 ASP N . 52737 1 116 . 1 . 1 23 23 ASP H H 1 8.415326607 0.002032592435 . . . . . . . 23 ASP H . 52737 1 117 . 1 . 1 23 23 ASP HA H 1 4.567672798 . . . . . . . . 23 ASP HA . 52737 1 118 . 1 . 1 23 23 ASP C C 13 176.4976071 0.01005113897 . . . . . . . 23 ASP C . 52737 1 119 . 1 . 1 23 23 ASP CA C 13 54.53695246 0.02005587069 . . . . . . . 23 ASP CA . 52737 1 120 . 1 . 1 23 23 ASP CB C 13 41.1255989 0.02475406227 . . . . . . . 23 ASP CB . 52737 1 121 . 1 . 1 23 23 ASP N N 15 121.1193198 0.02012802754 . . . . . . . 23 ASP N . 52737 1 122 . 1 . 1 24 24 GLU H H 1 8.503109064 0.004399764863 . . . . . . . 24 GLU H . 52737 1 123 . 1 . 1 24 24 GLU HA H 1 4.300084956 . . . . . . . . 24 GLU HA . 52737 1 124 . 1 . 1 24 24 GLU C C 13 176.5398548 0.01503566774 . . . . . . . 24 GLU C . 52737 1 125 . 1 . 1 24 24 GLU CA C 13 56.66347871 0.02983910466 . . . . . . . 24 GLU CA . 52737 1 126 . 1 . 1 24 24 GLU CB C 13 30.04722078 0.02249944509 . . . . . . . 24 GLU CB . 52737 1 127 . 1 . 1 24 24 GLU N N 15 120.9555949 0.01087965504 . . . . . . . 24 GLU N . 52737 1 128 . 1 . 1 25 25 SER H H 1 8.309985058 0.007172113604 . . . . . . . 25 SER H . 52737 1 129 . 1 . 1 25 25 SER HA H 1 4.393756273 . . . . . . . . 25 SER HA . 52737 1 130 . 1 . 1 25 25 SER C C 13 173.8026523 0.00347832623 . . . . . . . 25 SER C . 52737 1 131 . 1 . 1 25 25 SER CA C 13 58.77363098 0.02844381811 . . . . . . . 25 SER CA . 52737 1 132 . 1 . 1 25 25 SER CB C 13 63.98464631 0.02395553842 . . . . . . . 25 SER CB . 52737 1 133 . 1 . 1 25 25 SER N N 15 116.827542 0.006642404804 . . . . . . . 25 SER N . 52737 1 134 . 1 . 1 26 26 ASP H H 1 8.598216162 0.000786320405 . . . . . . . 26 ASP H . 52737 1 135 . 1 . 1 26 26 ASP HA H 1 4.920095987 . . . . . . . . 26 ASP HA . 52737 1 136 . 1 . 1 26 26 ASP C C 13 175.1266002 . . . . . . . . 26 ASP C . 52737 1 137 . 1 . 1 26 26 ASP CA C 13 52.08150115 . . . . . . . . 26 ASP CA . 52737 1 138 . 1 . 1 26 26 ASP CB C 13 41.66106087 . . . . . . . . 26 ASP CB . 52737 1 139 . 1 . 1 26 26 ASP N N 15 124.02705 0.01322045687 . . . . . . . 26 ASP N . 52737 1 140 . 1 . 1 27 27 PRO C C 13 178.032859 0.009620357746 . . . . . . . 27 PRO C . 52737 1 141 . 1 . 1 27 27 PRO CA C 13 64.25729332 0.0601375173 . . . . . . . 27 PRO CA . 52737 1 142 . 1 . 1 27 27 PRO CB C 13 32.0545212 0.01078235381 . . . . . . . 27 PRO CB . 52737 1 143 . 1 . 1 28 28 PHE H H 1 8.44047411 0.004256885409 . . . . . . . 28 PHE H . 52737 1 144 . 1 . 1 28 28 PHE HA H 1 4.495174373 . . . . . . . . 28 PHE HA . 52737 1 145 . 1 . 1 28 28 PHE C C 13 177.1615191 0.002824192127 . . . . . . . 28 PHE C . 52737 1 146 . 1 . 1 28 28 PHE CA C 13 59.51272451 0.06374374998 . . . . . . . 28 PHE CA . 52737 1 147 . 1 . 1 28 28 PHE CB C 13 38.64447718 0.006904035602 . . . . . . . 28 PHE CB . 52737 1 148 . 1 . 1 28 28 PHE N N 15 118.6872169 0.0125351037 . . . . . . . 28 PHE N . 52737 1 149 . 1 . 1 29 29 GLU H H 1 7.98759376 0.003756712553 . . . . . . . 29 GLU H . 52737 1 150 . 1 . 1 29 29 GLU HA H 1 4.117064488 . . . . . . . . 29 GLU HA . 52737 1 151 . 1 . 1 29 29 GLU C C 13 178.1056715 0.003567679685 . . . . . . . 29 GLU C . 52737 1 152 . 1 . 1 29 29 GLU CA C 13 57.98921577 0.077668329 . . . . . . . 29 GLU CA . 52737 1 153 . 1 . 1 29 29 GLU CB C 13 29.55031592 0.03897030039 . . . . . . . 29 GLU CB . 52737 1 154 . 1 . 1 29 29 GLU N N 15 120.959511 0.005589235964 . . . . . . . 29 GLU N . 52737 1 155 . 1 . 1 30 30 VAL H H 1 8.113665824 0.004091965062 . . . . . . . 30 VAL H . 52737 1 156 . 1 . 1 30 30 VAL HA H 1 3.848271219 . . . . . . . . 30 VAL HA . 52737 1 157 . 1 . 1 30 30 VAL C C 13 178.0710896 0.006582053145 . . . . . . . 30 VAL C . 52737 1 158 . 1 . 1 30 30 VAL CA C 13 64.89338214 0.03649004871 . . . . . . . 30 VAL CA . 52737 1 159 . 1 . 1 30 30 VAL CB C 13 32.17896899 0.04124172328 . . . . . . . 30 VAL CB . 52737 1 160 . 1 . 1 30 30 VAL N N 15 121.5105042 0.002993334389 . . . . . . . 30 VAL N . 52737 1 161 . 1 . 1 31 31 LEU H H 1 8.076876078 0.005937876281 . . . . . . . 31 LEU H . 52737 1 162 . 1 . 1 31 31 LEU HA H 1 4.23018617 . . . . . . . . 31 LEU HA . 52737 1 163 . 1 . 1 31 31 LEU C C 13 178.7977396 0.003413554624 . . . . . . . 31 LEU C . 52737 1 164 . 1 . 1 31 31 LEU CA C 13 56.88036802 0.01424745895 . . . . . . . 31 LEU CA . 52737 1 165 . 1 . 1 31 31 LEU CB C 13 41.75344309 0.03023989841 . . . . . . . 31 LEU CB . 52737 1 166 . 1 . 1 31 31 LEU N N 15 123.0150338 0.01065251146 . . . . . . . 31 LEU N . 52737 1 167 . 1 . 1 32 32 LYS H H 1 8.134511257 0.003834199985 . . . . . . . 32 LYS H . 52737 1 168 . 1 . 1 32 32 LYS HA H 1 4.167175202 . . . . . . . . 32 LYS HA . 52737 1 169 . 1 . 1 32 32 LYS C C 13 177.9011546 0.01428784447 . . . . . . . 32 LYS C . 52737 1 170 . 1 . 1 32 32 LYS CA C 13 57.96108404 0.07127192416 . . . . . . . 32 LYS CA . 52737 1 171 . 1 . 1 32 32 LYS CB C 13 32.49982282 0.02765601405 . . . . . . . 32 LYS CB . 52737 1 172 . 1 . 1 32 32 LYS N N 15 121.1823623 0.0281638316 . . . . . . . 32 LYS N . 52737 1 173 . 1 . 1 33 33 ALA H H 1 8.174147142 0.002503700933 . . . . . . . 33 ALA H . 52737 1 174 . 1 . 1 33 33 ALA HA H 1 4.224121909 . . . . . . . . 33 ALA HA . 52737 1 175 . 1 . 1 33 33 ALA C C 13 179.2845085 0.01148540146 . . . . . . . 33 ALA C . 52737 1 176 . 1 . 1 33 33 ALA CA C 13 53.97416234 0.03963819481 . . . . . . . 33 ALA CA . 52737 1 177 . 1 . 1 33 33 ALA CB C 13 18.35906354 0.01044837261 . . . . . . . 33 ALA CB . 52737 1 178 . 1 . 1 33 33 ALA N N 15 122.8721018 0.01101015953 . . . . . . . 33 ALA N . 52737 1 179 . 1 . 1 34 34 ALA H H 1 8.07270127 0.005525894698 . . . . . . . 34 ALA H . 52737 1 180 . 1 . 1 34 34 ALA HA H 1 4.227222799 . . . . . . . . 34 ALA HA . 52737 1 181 . 1 . 1 34 34 ALA C C 13 179.602974 0.001117706299 . . . . . . . 34 ALA C . 52737 1 182 . 1 . 1 34 34 ALA CA C 13 53.94854839 0.02991771408 . . . . . . . 34 ALA CA . 52737 1 183 . 1 . 1 34 34 ALA CB C 13 18.47929226 0.01408223732 . . . . . . . 34 ALA CB . 52737 1 184 . 1 . 1 34 34 ALA N N 15 122.0717977 0.008025070491 . . . . . . . 34 ALA N . 52737 1 185 . 1 . 1 35 35 GLU H H 1 8.295905781 0.004301008205 . . . . . . . 35 GLU H . 52737 1 186 . 1 . 1 35 35 GLU HA H 1 4.143585953 . . . . . . . . 35 GLU HA . 52737 1 187 . 1 . 1 35 35 GLU C C 13 177.8708133 0.01120785745 . . . . . . . 35 GLU C . 52737 1 188 . 1 . 1 35 35 GLU CA C 13 57.92718123 0.0490068878 . . . . . . . 35 GLU CA . 52737 1 189 . 1 . 1 35 35 GLU CB C 13 29.79059713 0.04686062379 . . . . . . . 35 GLU CB . 52737 1 190 . 1 . 1 35 35 GLU N N 15 119.787376 0.01442127754 . . . . . . . 35 GLU N . 52737 1 191 . 1 . 1 36 36 ASN H H 1 8.398578179 0.005574742683 . . . . . . . 36 ASN H . 52737 1 192 . 1 . 1 36 36 ASN HA H 1 4.584078121 . . . . . . . . 36 ASN HA . 52737 1 193 . 1 . 1 36 36 ASN C C 13 176.3954049 0.007543439177 . . . . . . . 36 ASN C . 52737 1 194 . 1 . 1 36 36 ASN CA C 13 54.51157382 0.009146876185 . . . . . . . 36 ASN CA . 52737 1 195 . 1 . 1 36 36 ASN CB C 13 38.31671162 0.01234694509 . . . . . . . 36 ASN CB . 52737 1 196 . 1 . 1 36 36 ASN N N 15 119.2064591 0.06552171725 . . . . . . . 36 ASN N . 52737 1 197 . 1 . 1 37 37 LYS H H 1 8.134797581 0.007749800985 . . . . . . . 37 LYS H . 52737 1 198 . 1 . 1 37 37 LYS HA H 1 4.23537673 . . . . . . . . 37 LYS HA . 52737 1 199 . 1 . 1 37 37 LYS C C 13 177.65884 0.01064454071 . . . . . . . 37 LYS C . 52737 1 200 . 1 . 1 37 37 LYS CA C 13 57.50101983 0.006537248475 . . . . . . . 37 LYS CA . 52737 1 201 . 1 . 1 37 37 LYS CB C 13 32.58809554 0.02721457835 . . . . . . . 37 LYS CB . 52737 1 202 . 1 . 1 37 37 LYS N N 15 121.3138719 0.02416463232 . . . . . . . 37 LYS N . 52737 1 203 . 1 . 1 38 38 LYS H H 1 8.066112506 0.00393006454 . . . . . . . 38 LYS H . 52737 1 204 . 1 . 1 38 38 LYS HA H 1 4.164248001 . . . . . . . . 38 LYS HA . 52737 1 205 . 1 . 1 38 38 LYS C C 13 177.5593051 0.005260754177 . . . . . . . 38 LYS C . 52737 1 206 . 1 . 1 38 38 LYS CA C 13 57.50959019 0.005244549927 . . . . . . . 38 LYS CA . 52737 1 207 . 1 . 1 38 38 LYS CB C 13 32.69268464 0.01960601933 . . . . . . . 38 LYS CB . 52737 1 208 . 1 . 1 38 38 LYS N N 15 121.1445503 0.005574648379 . . . . . . . 38 LYS N . 52737 1 209 . 1 . 1 39 39 LYS H H 1 8.19213505 0.001065371693 . . . . . . . 39 LYS H . 52737 1 210 . 1 . 1 39 39 LYS HA H 1 4.23285855 . . . . . . . . 39 LYS HA . 52737 1 211 . 1 . 1 39 39 LYS C C 13 177.4445045 0.005629548133 . . . . . . . 39 LYS C . 52737 1 212 . 1 . 1 39 39 LYS CA C 13 57.23639697 0.04269207638 . . . . . . . 39 LYS CA . 52737 1 213 . 1 . 1 39 39 LYS CB C 13 32.85175753 0.0360637277 . . . . . . . 39 LYS CB . 52737 1 214 . 1 . 1 39 39 LYS N N 15 121.5840354 0.007955723772 . . . . . . . 39 LYS N . 52737 1 215 . 1 . 1 40 40 GLU H H 1 8.342299537 0.003030529431 . . . . . . . 40 GLU H . 52737 1 216 . 1 . 1 40 40 GLU HA H 1 4.236593012 . . . . . . . . 40 GLU HA . 52737 1 217 . 1 . 1 40 40 GLU C C 13 176.8208476 0.006609251999 . . . . . . . 40 GLU C . 52737 1 218 . 1 . 1 40 40 GLU CA C 13 56.93346419 0.0417683003 . . . . . . . 40 GLU CA . 52737 1 219 . 1 . 1 40 40 GLU CB C 13 30.09764776 0.01420228125 . . . . . . . 40 GLU CB . 52737 1 220 . 1 . 1 40 40 GLU N N 15 121.4704866 0.01131325484 . . . . . . . 40 GLU N . 52737 1 221 . 1 . 1 41 41 ALA H H 1 8.364736284 0.00298252978 . . . . . . . 41 ALA H . 52737 1 222 . 1 . 1 41 41 ALA HA H 1 4.331925393 . . . . . . . . 41 ALA HA . 52737 1 223 . 1 . 1 41 41 ALA C C 13 178.6005164 0.00851539765 . . . . . . . 41 ALA C . 52737 1 224 . 1 . 1 41 41 ALA CA C 13 52.88814521 0.09520775358 . . . . . . . 41 ALA CA . 52737 1 225 . 1 . 1 41 41 ALA CB C 13 19.02390083 0.006796813833 . . . . . . . 41 ALA CB . 52737 1 226 . 1 . 1 41 41 ALA N N 15 124.6012293 0.0139880677 . . . . . . . 41 ALA N . 52737 1 227 . 1 . 1 42 42 GLY H H 1 8.427999114 0.00476308735 . . . . . . . 42 GLY H . 52737 1 228 . 1 . 1 42 42 GLY HA2 H 1 3.983740923 . . . . . . . . 42 GLY HA . 52737 1 229 . 1 . 1 42 42 GLY HA3 H 1 3.983740923 . . . . . . . . 42 GLY HA . 52737 1 230 . 1 . 1 42 42 GLY C C 13 174.9821792 . . . . . . . . 42 GLY C . 52737 1 231 . 1 . 1 42 42 GLY CA C 13 45.46652079 . . . . . . . . 42 GLY CA . 52737 1 232 . 1 . 1 42 42 GLY N N 15 107.9481876 0.003196673916 . . . . . . . 42 GLY N . 52737 1 233 . 1 . 1 45 45 GLY C C 13 174.488869 0.01026557219 . . . . . . . 45 GLY C . 52737 1 234 . 1 . 1 45 45 GLY CA C 13 45.04589525 0.03422802576 . . . . . . . 45 GLY CA . 52737 1 235 . 1 . 1 46 46 VAL H H 1 8.245478679 0.004994264649 . . . . . . . 46 VAL H . 52737 1 236 . 1 . 1 46 46 VAL HA H 1 4.173221306 . . . . . . . . 46 VAL HA . 52737 1 237 . 1 . 1 46 46 VAL C C 13 177.0219717 0.01008440601 . . . . . . . 46 VAL C . 52737 1 238 . 1 . 1 46 46 VAL CA C 13 62.62389025 0.04611065559 . . . . . . . 46 VAL CA . 52737 1 239 . 1 . 1 46 46 VAL CB C 13 32.53981183 0.01913449879 . . . . . . . 46 VAL CB . 52737 1 240 . 1 . 1 46 46 VAL N N 15 119.1874773 0.004992651094 . . . . . . . 46 VAL N . 52737 1 241 . 1 . 1 47 47 GLY H H 1 8.697301198 0.004686260235 . . . . . . . 47 GLY H . 52737 1 242 . 1 . 1 47 47 GLY HA2 H 1 4.007665276 . . . . . . . . 47 GLY HA . 52737 1 243 . 1 . 1 47 47 GLY HA3 H 1 4.007665276 . . . . . . . . 47 GLY HA . 52737 1 244 . 1 . 1 47 47 GLY C C 13 174.3752708 0.006338328721 . . . . . . . 47 GLY C . 52737 1 245 . 1 . 1 47 47 GLY CA C 13 45.03866979 0.03243562672 . . . . . . . 47 GLY CA . 52737 1 246 . 1 . 1 47 47 GLY N N 15 112.6266489 0.002640360631 . . . . . . . 47 GLY N . 52737 1 247 . 1 . 1 48 48 GLY H H 1 8.246814448 0.005163149427 . . . . . . . 48 GLY H . 52737 1 248 . 1 . 1 48 48 GLY HA2 H 1 4.121478892 . . . . . . . . 48 GLY HA . 52737 1 249 . 1 . 1 48 48 GLY HA3 H 1 4.121478892 . . . . . . . . 48 GLY HA . 52737 1 250 . 1 . 1 48 48 GLY C C 13 172.2260788 . . . . . . . . 48 GLY C . 52737 1 251 . 1 . 1 48 48 GLY CA C 13 44.58951929 . . . . . . . . 48 GLY CA . 52737 1 252 . 1 . 1 48 48 GLY N N 15 108.8980478 0.004410643396 . . . . . . . 48 GLY N . 52737 1 253 . 1 . 1 49 49 PRO C C 13 178.0431476 0.003240650439 . . . . . . . 49 PRO C . 52737 1 254 . 1 . 1 49 49 PRO CA C 13 63.77387664 0.04293216528 . . . . . . . 49 PRO CA . 52737 1 255 . 1 . 1 49 49 PRO CB C 13 32.01181229 0.0480213767 . . . . . . . 49 PRO CB . 52737 1 256 . 1 . 1 50 50 GLY H H 1 8.70037439 0.004750689964 . . . . . . . 50 GLY H . 52737 1 257 . 1 . 1 50 50 GLY HA2 H 1 3.956747187 . . . . . . . . 50 GLY HA . 52737 1 258 . 1 . 1 50 50 GLY HA3 H 1 3.956747187 . . . . . . . . 50 GLY HA . 52737 1 259 . 1 . 1 50 50 GLY C C 13 174.2441299 0.01918498542 . . . . . . . 50 GLY C . 52737 1 260 . 1 . 1 50 50 GLY CA C 13 45.18539246 0.04039204691 . . . . . . . 50 GLY CA . 52737 1 261 . 1 . 1 50 50 GLY N N 15 109.6272047 0.003330482777 . . . . . . . 50 GLY N . 52737 1 262 . 1 . 1 51 51 ALA H H 1 8.153999549 0.003107931741 . . . . . . . 51 ALA H . 52737 1 263 . 1 . 1 51 51 ALA HA H 1 4.286491585 . . . . . . . . 51 ALA HA . 52737 1 264 . 1 . 1 51 51 ALA C C 13 178.4012193 0.008757772727 . . . . . . . 51 ALA C . 52737 1 265 . 1 . 1 51 51 ALA CA C 13 52.88170318 0.02554894339 . . . . . . . 51 ALA CA . 52737 1 266 . 1 . 1 51 51 ALA CB C 13 19.15436985 0.01240946587 . . . . . . . 51 ALA CB . 52737 1 267 . 1 . 1 51 51 ALA N N 15 123.9650145 0.002795963618 . . . . . . . 51 ALA N . 52737 1 268 . 1 . 1 52 52 LYS H H 1 8.46374246 0.004969076327 . . . . . . . 52 LYS H . 52737 1 269 . 1 . 1 52 52 LYS HA H 1 4.343345933 . . . . . . . . 52 LYS HA . 52737 1 270 . 1 . 1 52 52 LYS C C 13 177.2418431 0.007921334148 . . . . . . . 52 LYS C . 52737 1 271 . 1 . 1 52 52 LYS CA C 13 56.73822948 0.02686808498 . . . . . . . 52 LYS CA . 52737 1 272 . 1 . 1 52 52 LYS CB C 13 32.9267926 0.03174551406 . . . . . . . 52 LYS CB . 52737 1 273 . 1 . 1 52 52 LYS N N 15 120.8250979 0.006616635981 . . . . . . . 52 LYS N . 52737 1 274 . 1 . 1 53 53 SER H H 1 8.453194041 0.003982802124 . . . . . . . 53 SER H . 52737 1 275 . 1 . 1 53 53 SER HA H 1 4.435573804 . . . . . . . . 53 SER HA . 52737 1 276 . 1 . 1 53 53 SER C C 13 174.9439781 0.01400025768 . . . . . . . 53 SER C . 52737 1 277 . 1 . 1 53 53 SER CA C 13 58.63527997 0.02354755034 . . . . . . . 53 SER CA . 52737 1 278 . 1 . 1 53 53 SER CB C 13 63.85111803 0.01136817795 . . . . . . . 53 SER CB . 52737 1 279 . 1 . 1 53 53 SER N N 15 117.2534615 0.005819837815 . . . . . . . 53 SER N . 52737 1 280 . 1 . 1 54 54 ALA H H 1 8.56271035 0.004380149471 . . . . . . . 54 ALA H . 52737 1 281 . 1 . 1 54 54 ALA HA H 1 4.300926221 . . . . . . . . 54 ALA HA . 52737 1 282 . 1 . 1 54 54 ALA C C 13 178.6685312 0.01496404654 . . . . . . . 54 ALA C . 52737 1 283 . 1 . 1 54 54 ALA CA C 13 53.40495774 0.07756211906 . . . . . . . 54 ALA CA . 52737 1 284 . 1 . 1 54 54 ALA CB C 13 18.69111954 0.04234502671 . . . . . . . 54 ALA CB . 52737 1 285 . 1 . 1 54 54 ALA N N 15 126.0891822 0.007051117321 . . . . . . . 54 ALA N . 52737 1 286 . 1 . 1 55 55 ALA H H 1 8.351049108 0.002962089996 . . . . . . . 55 ALA H . 52737 1 287 . 1 . 1 55 55 ALA HA H 1 4.246746647 . . . . . . . . 55 ALA HA . 52737 1 288 . 1 . 1 55 55 ALA C C 13 178.8923579 0.0005527791186 . . . . . . . 55 ALA C . 52737 1 289 . 1 . 1 55 55 ALA CA C 13 53.39050379 0.06906671214 . . . . . . . 55 ALA CA . 52737 1 290 . 1 . 1 55 55 ALA CB C 13 18.71362771 0.04409845878 . . . . . . . 55 ALA CB . 52737 1 291 . 1 . 1 55 55 ALA N N 15 122.6618126 0.01013197346 . . . . . . . 55 ALA N . 52737 1 292 . 1 . 1 56 56 GLN H H 1 8.272332713 0.003438910586 . . . . . . . 56 GLN H . 52737 1 293 . 1 . 1 56 56 GLN HA H 1 4.234741982 . . . . . . . . 56 GLN HA . 52737 1 294 . 1 . 1 56 56 GLN C C 13 176.7707298 0.004976329606 . . . . . . . 56 GLN C . 52737 1 295 . 1 . 1 56 56 GLN CA C 13 56.58431186 0.07094718859 . . . . . . . 56 GLN CA . 52737 1 296 . 1 . 1 56 56 GLN CB C 13 29.18019116 0.006341621097 . . . . . . . 56 GLN CB . 52737 1 297 . 1 . 1 56 56 GLN N N 15 119.640868 0.002666590719 . . . . . . . 56 GLN N . 52737 1 298 . 1 . 1 57 57 ALA H H 1 8.376163029 0.002352667962 . . . . . . . 57 ALA H . 52737 1 299 . 1 . 1 57 57 ALA HA H 1 4.213359423 . . . . . . . . 57 ALA HA . 52737 1 300 . 1 . 1 57 57 ALA C C 13 178.3965467 0.01024632958 . . . . . . . 57 ALA C . 52737 1 301 . 1 . 1 57 57 ALA CA C 13 53.22301708 0.06166651719 . . . . . . . 57 ALA CA . 52737 1 302 . 1 . 1 57 57 ALA CB C 13 18.75906104 0.009481133264 . . . . . . . 57 ALA CB . 52737 1 303 . 1 . 1 57 57 ALA N N 15 124.7714544 0.01629174169 . . . . . . . 57 ALA N . 52737 1 304 . 1 . 1 58 58 ALA H H 1 8.256923505 0.003008500719 . . . . . . . 58 ALA H . 52737 1 305 . 1 . 1 58 58 ALA HA H 1 4.250514566 . . . . . . . . 58 ALA HA . 52737 1 306 . 1 . 1 58 58 ALA C C 13 178.1014309 0.004291322915 . . . . . . . 58 ALA C . 52737 1 307 . 1 . 1 58 58 ALA CA C 13 52.95109783 0.01512086281 . . . . . . . 58 ALA CA . 52737 1 308 . 1 . 1 58 58 ALA CB C 13 18.7911835 0.02171848304 . . . . . . . 58 ALA CB . 52737 1 309 . 1 . 1 58 58 ALA N N 15 122.6355 0.005864261164 . . . . . . . 58 ALA N . 52737 1 310 . 1 . 1 59 59 ALA H H 1 8.179162612 0.003146529326 . . . . . . . 59 ALA H . 52737 1 311 . 1 . 1 59 59 ALA HA H 1 4.283564358 . . . . . . . . 59 ALA HA . 52737 1 312 . 1 . 1 59 59 ALA C C 13 178.3234626 0.008030123493 . . . . . . . 59 ALA C . 52737 1 313 . 1 . 1 59 59 ALA CA C 13 52.91910691 0.007322204892 . . . . . . . 59 ALA CA . 52737 1 314 . 1 . 1 59 59 ALA CB C 13 18.86501643 0.01097108164 . . . . . . . 59 ALA CB . 52737 1 315 . 1 . 1 59 59 ALA N N 15 122.4563696 0.003601957067 . . . . . . . 59 ALA N . 52737 1 316 . 1 . 1 60 60 GLN H H 1 8.327583026 0.004291835668 . . . . . . . 60 GLN H . 52737 1 317 . 1 . 1 60 60 GLN HA H 1 4.339964094 . . . . . . . . 60 GLN HA . 52737 1 318 . 1 . 1 60 60 GLN C C 13 176.6048577 0.007749772263 . . . . . . . 60 GLN C . 52737 1 319 . 1 . 1 60 60 GLN CA C 13 56.10323465 0.05113641576 . . . . . . . 60 GLN CA . 52737 1 320 . 1 . 1 60 60 GLN CB C 13 29.26719226 0.01156859146 . . . . . . . 60 GLN CB . 52737 1 321 . 1 . 1 60 60 GLN N N 15 119.334131 0.00802544595 . . . . . . . 60 GLN N . 52737 1 322 . 1 . 1 61 61 THR H H 1 8.290406127 0.003087099186 . . . . . . . 61 THR H . 52737 1 323 . 1 . 1 61 61 THR HA H 1 4.328384345 . . . . . . . . 61 THR HA . 52737 1 324 . 1 . 1 61 61 THR C C 13 174.6029749 0.002040653575 . . . . . . . 61 THR C . 52737 1 325 . 1 . 1 61 61 THR CA C 13 62.50105251 0.006551016499 . . . . . . . 61 THR CA . 52737 1 326 . 1 . 1 61 61 THR CB C 13 69.74009443 0.0520494881 . . . . . . . 61 THR CB . 52737 1 327 . 1 . 1 61 61 THR N N 15 115.5239763 0.00293881143 . . . . . . . 61 THR N . 52737 1 328 . 1 . 1 62 62 ASN H H 1 8.583778071 0.000624974935 . . . . . . . 62 ASN H . 52737 1 329 . 1 . 1 62 62 ASN HA H 1 4.766842347 . . . . . . . . 62 ASN HA . 52737 1 330 . 1 . 1 62 62 ASN C C 13 175.7011008 0.01035120018 . . . . . . . 62 ASN C . 52737 1 331 . 1 . 1 62 62 ASN CA C 13 53.51382766 0.06372708277 . . . . . . . 62 ASN CA . 52737 1 332 . 1 . 1 62 62 ASN CB C 13 38.78092491 0.02031625309 . . . . . . . 62 ASN CB . 52737 1 333 . 1 . 1 62 62 ASN N N 15 121.0792849 0.009034130775 . . . . . . . 62 ASN N . 52737 1 334 . 1 . 1 63 63 SER H H 1 8.477044723 0.005154535265 . . . . . . . 63 SER H . 52737 1 335 . 1 . 1 63 63 SER HA H 1 4.376887114 . . . . . . . . 63 SER HA . 52737 1 336 . 1 . 1 63 63 SER C C 13 174.7722068 0.01158089552 . . . . . . . 63 SER C . 52737 1 337 . 1 . 1 63 63 SER CA C 13 59.03328273 0.03271002614 . . . . . . . 63 SER CA . 52737 1 338 . 1 . 1 63 63 SER CB C 13 63.56206913 0.02592194284 . . . . . . . 63 SER CB . 52737 1 339 . 1 . 1 63 63 SER N N 15 116.8649615 0.004857256066 . . . . . . . 63 SER N . 52737 1 340 . 1 . 1 64 64 ASN H H 1 8.552526689 0.00114727805 . . . . . . . 64 ASN H . 52737 1 341 . 1 . 1 64 64 ASN HA H 1 4.687146585 . . . . . . . . 64 ASN HA . 52737 1 342 . 1 . 1 64 64 ASN C C 13 175.5452801 0.008725198999 . . . . . . . 64 ASN C . 52737 1 343 . 1 . 1 64 64 ASN CA C 13 53.4584919 0.07810426548 . . . . . . . 64 ASN CA . 52737 1 344 . 1 . 1 64 64 ASN CB C 13 38.6638016 0.01565780389 . . . . . . . 64 ASN CB . 52737 1 345 . 1 . 1 64 64 ASN N N 15 120.8683592 0.002164119231 . . . . . . . 64 ASN N . 52737 1 346 . 1 . 1 65 65 ALA H H 1 8.26303479 0.006913211729 . . . . . . . 65 ALA H . 52737 1 347 . 1 . 1 65 65 ALA HA H 1 4.240416134 . . . . . . . . 65 ALA HA . 52737 1 348 . 1 . 1 65 65 ALA C C 13 178.0403561 0.006653898541 . . . . . . . 65 ALA C . 52737 1 349 . 1 . 1 65 65 ALA CA C 13 53.25162735 0.0781419494 . . . . . . . 65 ALA CA . 52737 1 350 . 1 . 1 65 65 ALA CB C 13 18.90690075 0.01438519036 . . . . . . . 65 ALA CB . 52737 1 351 . 1 . 1 65 65 ALA N N 15 124.249329 0.005175903389 . . . . . . . 65 ALA N . 52737 1 352 . 1 . 1 66 66 ALA H H 1 8.325333713 0.006420397206 . . . . . . . 66 ALA H . 52737 1 353 . 1 . 1 66 66 ALA HA H 1 4.290468403 . . . . . . . . 66 ALA HA . 52737 1 354 . 1 . 1 66 66 ALA C C 13 178.7410995 0.001915037869 . . . . . . . 66 ALA C . 52737 1 355 . 1 . 1 66 66 ALA CA C 13 53.10047674 0.03315786483 . . . . . . . 66 ALA CA . 52737 1 356 . 1 . 1 66 66 ALA CB C 13 18.8949857 0.02837763746 . . . . . . . 66 ALA CB . 52737 1 357 . 1 . 1 66 66 ALA N N 15 122.5640481 0.002894584267 . . . . . . . 66 ALA N . 52737 1 358 . 1 . 1 67 67 GLY H H 1 8.361875637 0.005834473963 . . . . . . . 67 GLY H . 52737 1 359 . 1 . 1 67 67 GLY HA2 H 1 3.929707629 . . . . . . . . 67 GLY HA . 52737 1 360 . 1 . 1 67 67 GLY HA3 H 1 3.929707629 . . . . . . . . 67 GLY HA . 52737 1 361 . 1 . 1 67 67 GLY C C 13 174.5930145 0.00607391541 . . . . . . . 67 GLY C . 52737 1 362 . 1 . 1 67 67 GLY CA C 13 45.52403111 0.04281375827 . . . . . . . 67 GLY CA . 52737 1 363 . 1 . 1 67 67 GLY N N 15 107.7819138 0.005455064773 . . . . . . . 67 GLY N . 52737 1 364 . 1 . 1 68 68 LYS H H 1 8.168282592 0.003261168116 . . . . . . . 68 LYS H . 52737 1 365 . 1 . 1 68 68 LYS HA H 1 4.254523964 . . . . . . . . 68 LYS HA . 52737 1 366 . 1 . 1 68 68 LYS C C 13 176.9317015 0.002516525168 . . . . . . . 68 LYS C . 52737 1 367 . 1 . 1 68 68 LYS CA C 13 56.70550219 0.03497306061 . . . . . . . 68 LYS CA . 52737 1 368 . 1 . 1 68 68 LYS CB C 13 32.93829672 0.02769038417 . . . . . . . 68 LYS CB . 52737 1 369 . 1 . 1 68 68 LYS N N 15 120.8838666 0.006672010617 . . . . . . . 68 LYS N . 52737 1 370 . 1 . 1 69 69 GLN H H 1 8.481935648 0.0006661707784 . . . . . . . 69 GLN H . 52737 1 371 . 1 . 1 69 69 GLN HA H 1 4.26798781 . . . . . . . . 69 GLN HA . 52737 1 372 . 1 . 1 69 69 GLN C C 13 176.0818308 0.001120350999 . . . . . . . 69 GLN C . 52737 1 373 . 1 . 1 69 69 GLN CA C 13 55.88602253 0.02387274915 . . . . . . . 69 GLN CA . 52737 1 374 . 1 . 1 69 69 GLN CB C 13 29.16584001 0.03546195744 . . . . . . . 69 GLN CB . 52737 1 375 . 1 . 1 69 69 GLN N N 15 121.3205384 0.007590414605 . . . . . . . 69 GLN N . 52737 1 376 . 1 . 1 70 70 LEU H H 1 8.389923587 0.002344292261 . . . . . . . 70 LEU H . 52737 1 377 . 1 . 1 70 70 LEU HA H 1 4.33519836 . . . . . . . . 70 LEU HA . 52737 1 378 . 1 . 1 70 70 LEU C C 13 177.5052968 0.002585732402 . . . . . . . 70 LEU C . 52737 1 379 . 1 . 1 70 70 LEU CA C 13 55.36561463 0.02172744004 . . . . . . . 70 LEU CA . 52737 1 380 . 1 . 1 70 70 LEU CB C 13 42.23281118 0.02816793926 . . . . . . . 70 LEU CB . 52737 1 381 . 1 . 1 70 70 LEU N N 15 123.9320037 0.006391154716 . . . . . . . 70 LEU N . 52737 1 382 . 1 . 1 71 71 ARG H H 1 8.447899222 0.00568538986 . . . . . . . 71 ARG H . 52737 1 383 . 1 . 1 71 71 ARG HA H 1 4.334141965 . . . . . . . . 71 ARG HA . 52737 1 384 . 1 . 1 71 71 ARG C C 13 176.4252679 0.01676248331 . . . . . . . 71 ARG C . 52737 1 385 . 1 . 1 71 71 ARG CA C 13 56.16307771 0.02655077694 . . . . . . . 71 ARG CA . 52737 1 386 . 1 . 1 71 71 ARG CB C 13 30.75378193 0.02165518452 . . . . . . . 71 ARG CB . 52737 1 387 . 1 . 1 71 71 ARG N N 15 122.4077174 0.02220889057 . . . . . . . 71 ARG N . 52737 1 388 . 1 . 1 72 72 LYS H H 1 8.547879211 0.002991808875 . . . . . . . 72 LYS H . 52737 1 389 . 1 . 1 72 72 LYS HA H 1 4.262161652 . . . . . . . . 72 LYS HA . 52737 1 390 . 1 . 1 72 72 LYS C C 13 176.9726607 0.01497234879 . . . . . . . 72 LYS C . 52737 1 391 . 1 . 1 72 72 LYS CA C 13 56.67642552 0.01194993827 . . . . . . . 72 LYS CA . 52737 1 392 . 1 . 1 72 72 LYS CB C 13 32.99818041 0.02250550161 . . . . . . . 72 LYS CB . 52737 1 393 . 1 . 1 72 72 LYS N N 15 123.7496283 0.02701100657 . . . . . . . 72 LYS N . 52737 1 394 . 1 . 1 73 73 GLU H H 1 8.69563658 0.008241075196 . . . . . . . 73 GLU H . 52737 1 395 . 1 . 1 73 73 GLU HA H 1 4.280601185 . . . . . . . . 73 GLU HA . 52737 1 396 . 1 . 1 73 73 GLU C C 13 176.7678567 0.005194871207 . . . . . . . 73 GLU C . 52737 1 397 . 1 . 1 73 73 GLU CA C 13 56.8093325 0.01165405674 . . . . . . . 73 GLU CA . 52737 1 398 . 1 . 1 73 73 GLU CB C 13 30.18419003 0.0124138082 . . . . . . . 73 GLU CB . 52737 1 399 . 1 . 1 73 73 GLU N N 15 122.5624386 0.002554531613 . . . . . . . 73 GLU N . 52737 1 400 . 1 . 1 74 74 SER H H 1 8.546569888 0.002635001031 . . . . . . . 74 SER H . 52737 1 401 . 1 . 1 74 74 SER HA H 1 4.415063858 . . . . . . . . 74 SER HA . 52737 1 402 . 1 . 1 74 74 SER C C 13 174.8532531 0.007784001706 . . . . . . . 74 SER C . 52737 1 403 . 1 . 1 74 74 SER CA C 13 58.61963442 0.01527067898 . . . . . . . 74 SER CA . 52737 1 404 . 1 . 1 74 74 SER CB C 13 63.79256526 0.01155756846 . . . . . . . 74 SER CB . 52737 1 405 . 1 . 1 74 74 SER N N 15 117.2623659 0.007364418801 . . . . . . . 74 SER N . 52737 1 406 . 1 . 1 75 75 GLN H H 1 8.580513447 0.00191759006 . . . . . . . 75 GLN H . 52737 1 407 . 1 . 1 75 75 GLN HA H 1 4.289548578 . . . . . . . . 75 GLN HA . 52737 1 408 . 1 . 1 75 75 GLN C C 13 176.3752039 0.009448104541 . . . . . . . 75 GLN C . 52737 1 409 . 1 . 1 75 75 GLN CA C 13 56.2197484 0.08535399256 . . . . . . . 75 GLN CA . 52737 1 410 . 1 . 1 75 75 GLN CB C 13 29.11685862 0.01098549784 . . . . . . . 75 GLN CB . 52737 1 411 . 1 . 1 75 75 GLN N N 15 122.6754153 0.01576108076 . . . . . . . 75 GLN N . 52737 1 412 . 1 . 1 76 76 LYS H H 1 8.38146381 0.005999288936 . . . . . . . 76 LYS H . 52737 1 413 . 1 . 1 76 76 LYS HA H 1 4.230008228 . . . . . . . . 76 LYS HA . 52737 1 414 . 1 . 1 76 76 LYS C C 13 176.4532677 0.02134656428 . . . . . . . 76 LYS C . 52737 1 415 . 1 . 1 76 76 LYS CA C 13 56.93444273 0.02430574694 . . . . . . . 76 LYS CA . 52737 1 416 . 1 . 1 76 76 LYS CB C 13 32.90608837 0.01844711595 . . . . . . . 76 LYS CB . 52737 1 417 . 1 . 1 76 76 LYS N N 15 122.1733033 0.003415644443 . . . . . . . 76 LYS N . 52737 1 418 . 1 . 1 77 77 ASP H H 1 8.387844374 0.003777126572 . . . . . . . 77 ASP H . 52737 1 419 . 1 . 1 77 77 ASP HA H 1 4.577319713 . . . . . . . . 77 ASP HA . 52737 1 420 . 1 . 1 77 77 ASP C C 13 176.1595203 0.007449127803 . . . . . . . 77 ASP C . 52737 1 421 . 1 . 1 77 77 ASP CA C 13 54.44123708 0.0112037116 . . . . . . . 77 ASP CA . 52737 1 422 . 1 . 1 77 77 ASP CB C 13 41.04882394 0.02718682951 . . . . . . . 77 ASP CB . 52737 1 423 . 1 . 1 77 77 ASP N N 15 120.8482966 0.006702461091 . . . . . . . 77 ASP N . 52737 1 424 . 1 . 1 78 78 ARG H H 1 8.257321474 0.003172616843 . . . . . . . 78 ARG H . 52737 1 425 . 1 . 1 78 78 ARG HA H 1 4.295774288 . . . . . . . . 78 ARG HA . 52737 1 426 . 1 . 1 78 78 ARG C C 13 176.2941452 0.01737658094 . . . . . . . 78 ARG C . 52737 1 427 . 1 . 1 78 78 ARG CA C 13 56.15465761 0.05926998684 . . . . . . . 78 ARG CA . 52737 1 428 . 1 . 1 78 78 ARG CB C 13 30.62956919 0.01279750715 . . . . . . . 78 ARG CB . 52737 1 429 . 1 . 1 78 78 ARG N N 15 121.6864575 0.003957502978 . . . . . . . 78 ARG N . 52737 1 430 . 1 . 1 79 79 LYS H H 1 8.504179919 0.006161945057 . . . . . . . 79 LYS H . 52737 1 431 . 1 . 1 79 79 LYS HA H 1 4.293822496 . . . . . . . . 79 LYS HA . 52737 1 432 . 1 . 1 79 79 LYS C C 13 176.1910604 0.006062622768 . . . . . . . 79 LYS C . 52737 1 433 . 1 . 1 79 79 LYS CA C 13 56.23247238 0.05064273311 . . . . . . . 79 LYS CA . 52737 1 434 . 1 . 1 79 79 LYS CB C 13 32.93603998 0.03217291598 . . . . . . . 79 LYS CB . 52737 1 435 . 1 . 1 79 79 LYS N N 15 122.612961 0.00923701561 . . . . . . . 79 LYS N . 52737 1 436 . 1 . 1 80 80 ASN H H 1 8.54275204 0.0007204747921 . . . . . . . 80 ASN H . 52737 1 437 . 1 . 1 80 80 ASN HA H 1 4.980035683 . . . . . . . . 80 ASN HA . 52737 1 438 . 1 . 1 80 80 ASN C C 13 173.0634834 . . . . . . . . 80 ASN C . 52737 1 439 . 1 . 1 80 80 ASN CA C 13 51.35607435 . . . . . . . . 80 ASN CA . 52737 1 440 . 1 . 1 80 80 ASN CB C 13 38.6785593 . . . . . . . . 80 ASN CB . 52737 1 441 . 1 . 1 80 80 ASN N N 15 120.9904403 0.01232547038 . . . . . . . 80 ASN N . 52737 1 442 . 1 . 1 81 81 PRO C C 13 176.6962129 0.0002317016471 . . . . . . . 81 PRO C . 52737 1 443 . 1 . 1 81 81 PRO CA C 13 62.99077692 0.05312618182 . . . . . . . 81 PRO CA . 52737 1 444 . 1 . 1 81 81 PRO CB C 13 32.175455 0.01579448925 . . . . . . . 81 PRO CB . 52737 1 445 . 1 . 1 82 82 LEU H H 1 8.457650709 0.0006262948399 . . . . . . . 82 LEU H . 52737 1 446 . 1 . 1 82 82 LEU HA H 1 4.565887549 . . . . . . . . 82 LEU HA . 52737 1 447 . 1 . 1 82 82 LEU C C 13 174.8031474 . . . . . . . . 82 LEU C . 52737 1 448 . 1 . 1 82 82 LEU CA C 13 53.01775493 . . . . . . . . 82 LEU CA . 52737 1 449 . 1 . 1 82 82 LEU CB C 13 41.46175356 . . . . . . . . 82 LEU CB . 52737 1 450 . 1 . 1 82 82 LEU N N 15 123.9540402 0.00235929967 . . . . . . . 82 LEU N . 52737 1 451 . 1 . 1 84 84 PRO C C 13 176.9704289 0.009387538463 . . . . . . . 84 PRO C . 52737 1 452 . 1 . 1 84 84 PRO CA C 13 62.96205411 0.0547209529 . . . . . . . 84 PRO CA . 52737 1 453 . 1 . 1 84 84 PRO CB C 13 32.05809065 0.02246448851 . . . . . . . 84 PRO CB . 52737 1 454 . 1 . 1 85 85 SER H H 1 8.549882548 0.006250301539 . . . . . . . 85 SER H . 52737 1 455 . 1 . 1 85 85 SER HA H 1 4.437390743 . . . . . . . . 85 SER HA . 52737 1 456 . 1 . 1 85 85 SER C C 13 174.6384423 0.001535060202 . . . . . . . 85 SER C . 52737 1 457 . 1 . 1 85 85 SER CA C 13 58.32416576 0.05399944437 . . . . . . . 85 SER CA . 52737 1 458 . 1 . 1 85 85 SER CB C 13 63.73343965 0.01886101168 . . . . . . . 85 SER CB . 52737 1 459 . 1 . 1 85 85 SER N N 15 116.6230091 0.002018874244 . . . . . . . 85 SER N . 52737 1 460 . 1 . 1 86 86 VAL H H 1 8.325008282 0.007493229896 . . . . . . . 86 VAL H . 52737 1 461 . 1 . 1 86 86 VAL HA H 1 4.182694084 . . . . . . . . 86 VAL HA . 52737 1 462 . 1 . 1 86 86 VAL C C 13 176.5458999 0.005106327813 . . . . . . . 86 VAL C . 52737 1 463 . 1 . 1 86 86 VAL CA C 13 62.34804417 0.03787177229 . . . . . . . 86 VAL CA . 52737 1 464 . 1 . 1 86 86 VAL CB C 13 32.8372065 0.02694985024 . . . . . . . 86 VAL CB . 52737 1 465 . 1 . 1 86 86 VAL N N 15 122.1018695 0.00564034048 . . . . . . . 86 VAL N . 52737 1 466 . 1 . 1 87 87 GLY H H 1 8.580607489 0.00739845269 . . . . . . . 87 GLY H . 52737 1 467 . 1 . 1 87 87 GLY HA2 H 1 3.923393024 . . . . . . . . 87 GLY HA . 52737 1 468 . 1 . 1 87 87 GLY HA3 H 1 3.923393024 . . . . . . . . 87 GLY HA . 52737 1 469 . 1 . 1 87 87 GLY C C 13 173.751261 0.007158153379 . . . . . . . 87 GLY C . 52737 1 470 . 1 . 1 87 87 GLY CA C 13 45.04002815 0.02545445518 . . . . . . . 87 GLY CA . 52737 1 471 . 1 . 1 87 87 GLY N N 15 112.8230076 0.005893427339 . . . . . . . 87 GLY N . 52737 1 472 . 1 . 1 88 88 VAL H H 1 8.189342257 0.004912161796 . . . . . . . 88 VAL H . 52737 1 473 . 1 . 1 88 88 VAL HA H 1 4.12478847 . . . . . . . . 88 VAL HA . 52737 1 474 . 1 . 1 88 88 VAL C C 13 176.358237 0.001844794658 . . . . . . . 88 VAL C . 52737 1 475 . 1 . 1 88 88 VAL CA C 13 62.34168361 0.04968190395 . . . . . . . 88 VAL CA . 52737 1 476 . 1 . 1 88 88 VAL CB C 13 32.80935894 . . . . . . . . 88 VAL CB . 52737 1 477 . 1 . 1 88 88 VAL N N 15 120.4998263 0.003626988051 . . . . . . . 88 VAL N . 52737 1 478 . 1 . 1 89 89 VAL H H 1 8.427861978 0.004176271483 . . . . . . . 89 VAL H . 52737 1 479 . 1 . 1 89 89 VAL HA H 1 4.130523499 . . . . . . . . 89 VAL HA . 52737 1 480 . 1 . 1 89 89 VAL C C 13 175.7362509 0.005090756021 . . . . . . . 89 VAL C . 52737 1 481 . 1 . 1 89 89 VAL CA C 13 62.11237467 0.06276417606 . . . . . . . 89 VAL CA . 52737 1 482 . 1 . 1 89 89 VAL CB C 13 32.90295197 0.01728147116 . . . . . . . 89 VAL CB . 52737 1 483 . 1 . 1 89 89 VAL N N 15 125.1992127 0.005746607201 . . . . . . . 89 VAL N . 52737 1 484 . 1 . 1 90 90 ASP H H 1 8.564718875 0.004182183346 . . . . . . . 90 ASP H . 52737 1 485 . 1 . 1 90 90 ASP HA H 1 4.554502885 . . . . . . . . 90 ASP HA . 52737 1 486 . 1 . 1 90 90 ASP C C 13 175.9567627 0.004553732447 . . . . . . . 90 ASP C . 52737 1 487 . 1 . 1 90 90 ASP CA C 13 54.22119576 0.06334209734 . . . . . . . 90 ASP CA . 52737 1 488 . 1 . 1 90 90 ASP CB C 13 41.25018422 0.00978764853 . . . . . . . 90 ASP CB . 52737 1 489 . 1 . 1 90 90 ASP N N 15 125.3439981 0.002860796284 . . . . . . . 90 ASP N . 52737 1 490 . 1 . 1 91 91 LYS H H 1 8.415501577 0.00655426998 . . . . . . . 91 LYS H . 52737 1 491 . 1 . 1 91 91 LYS HA H 1 4.291252918 . . . . . . . . 91 LYS HA . 52737 1 492 . 1 . 1 91 91 LYS C C 13 176.4544953 0.009161741833 . . . . . . . 91 LYS C . 52737 1 493 . 1 . 1 91 91 LYS CA C 13 56.30940337 0.06756298885 . . . . . . . 91 LYS CA . 52737 1 494 . 1 . 1 91 91 LYS CB C 13 32.97639744 0.02621223671 . . . . . . . 91 LYS CB . 52737 1 495 . 1 . 1 91 91 LYS N N 15 123.0810775 0.002995312645 . . . . . . . 91 LYS N . 52737 1 496 . 1 . 1 92 92 LYS H H 1 8.580431601 0.002129039555 . . . . . . . 92 LYS H . 52737 1 497 . 1 . 1 92 92 LYS HA H 1 4.292020165 . . . . . . . . 92 LYS HA . 52737 1 498 . 1 . 1 92 92 LYS C C 13 176.6205603 0.01346161818 . . . . . . . 92 LYS C . 52737 1 499 . 1 . 1 92 92 LYS CA C 13 56.41051697 0.06363096567 . . . . . . . 92 LYS CA . 52737 1 500 . 1 . 1 92 92 LYS CB C 13 32.83651557 0.06022607645 . . . . . . . 92 LYS CB . 52737 1 501 . 1 . 1 92 92 LYS N N 15 123.7490362 0.004784764721 . . . . . . . 92 LYS N . 52737 1 502 . 1 . 1 93 93 GLU H H 1 8.601564056 0.002652817635 . . . . . . . 93 GLU H . 52737 1 503 . 1 . 1 93 93 GLU HA H 1 4.28862515 . . . . . . . . 93 GLU HA . 52737 1 504 . 1 . 1 93 93 GLU C C 13 176.4967986 0.02154323177 . . . . . . . 93 GLU C . 52737 1 505 . 1 . 1 93 93 GLU CA C 13 56.40202635 0.06331903453 . . . . . . . 93 GLU CA . 52737 1 506 . 1 . 1 93 93 GLU CB C 13 30.26131255 0.03616281249 . . . . . . . 93 GLU CB . 52737 1 507 . 1 . 1 93 93 GLU N N 15 122.5677184 0.009519342188 . . . . . . . 93 GLU N . 52737 1 508 . 1 . 1 94 94 GLU H H 1 8.631789335 0.0009955449695 . . . . . . . 94 GLU H . 52737 1 509 . 1 . 1 94 94 GLU HA H 1 4.352457196 . . . . . . . . 94 GLU HA . 52737 1 510 . 1 . 1 94 94 GLU C C 13 176.6437632 0.0205296513 . . . . . . . 94 GLU C . 52737 1 511 . 1 . 1 94 94 GLU CA C 13 56.4276194 0.07226145606 . . . . . . . 94 GLU CA . 52737 1 512 . 1 . 1 94 94 GLU CB C 13 30.37173894 0.04719979683 . . . . . . . 94 GLU CB . 52737 1 513 . 1 . 1 94 94 GLU N N 15 122.9073922 0.004015614419 . . . . . . . 94 GLU N . 52737 1 514 . 1 . 1 95 95 THR H H 1 8.420528926 0.003086782065 . . . . . . . 95 THR H . 52737 1 515 . 1 . 1 95 95 THR HA H 1 4.266349881 . . . . . . . . 95 THR HA . 52737 1 516 . 1 . 1 95 95 THR C C 13 174.3931065 0.01406358135 . . . . . . . 95 THR C . 52737 1 517 . 1 . 1 95 95 THR CA C 13 62.1244065 0.04136275439 . . . . . . . 95 THR CA . 52737 1 518 . 1 . 1 95 95 THR CB C 13 69.84031013 0.05157092724 . . . . . . . 95 THR CB . 52737 1 519 . 1 . 1 95 95 THR N N 15 116.6885645 0.007062192639 . . . . . . . 95 THR N . 52737 1 520 . 1 . 1 96 96 GLN H H 1 8.618384843 0.004008039115 . . . . . . . 96 GLN H . 52737 1 521 . 1 . 1 96 96 GLN HA H 1 4.656285939 . . . . . . . . 96 GLN HA . 52737 1 522 . 1 . 1 96 96 GLN C C 13 173.4212817 . . . . . . . . 96 GLN C . 52737 1 523 . 1 . 1 96 96 GLN CA C 13 53.56799487 . . . . . . . . 96 GLN CA . 52737 1 524 . 1 . 1 96 96 GLN CB C 13 28.81752878 . . . . . . . . 96 GLN CB . 52737 1 525 . 1 . 1 96 96 GLN N N 15 124.6706197 0.007108613892 . . . . . . . 96 GLN N . 52737 1 526 . 1 . 1 98 98 PRO C C 13 176.9713226 0.01217154471 . . . . . . . 98 PRO C . 52737 1 527 . 1 . 1 98 98 PRO CA C 13 62.86651624 0.05964746479 . . . . . . . 98 PRO CA . 52737 1 528 . 1 . 1 98 98 PRO CB C 13 32.01641808 0.03123661622 . . . . . . . 98 PRO CB . 52737 1 529 . 1 . 1 99 99 VAL H H 1 8.318881607 0.006221179459 . . . . . . . 99 VAL H . 52737 1 530 . 1 . 1 99 99 VAL HA H 1 4.037827726 . . . . . . . . 99 VAL HA . 52737 1 531 . 1 . 1 99 99 VAL C C 13 175.9653757 0.003678860203 . . . . . . . 99 VAL C . 52737 1 532 . 1 . 1 99 99 VAL CA C 13 62.2911808 0.05877354182 . . . . . . . 99 VAL CA . 52737 1 533 . 1 . 1 99 99 VAL CB C 13 32.85506096 0.0275090847 . . . . . . . 99 VAL CB . 52737 1 534 . 1 . 1 99 99 VAL N N 15 120.943181 0.002758771287 . . . . . . . 99 VAL N . 52737 1 535 . 1 . 1 100 100 ALA H H 1 8.513385595 0.003492698714 . . . . . . . 100 ALA H . 52737 1 536 . 1 . 1 100 100 ALA HA H 1 4.286960652 . . . . . . . . 100 ALA HA . 52737 1 537 . 1 . 1 100 100 ALA C C 13 177.5181899 0.003260437173 . . . . . . . 100 ALA C . 52737 1 538 . 1 . 1 100 100 ALA CA C 13 52.25916517 0.02292201475 . . . . . . . 100 ALA CA . 52737 1 539 . 1 . 1 100 100 ALA CB C 13 19.19965427 0.009220981264 . . . . . . . 100 ALA CB . 52737 1 540 . 1 . 1 100 100 ALA N N 15 128.3835534 0.008301962959 . . . . . . . 100 ALA N . 52737 1 541 . 1 . 1 101 101 LEU H H 1 8.357376192 0.004636906317 . . . . . . . 101 LEU H . 52737 1 542 . 1 . 1 101 101 LEU HA H 1 4.281126076 . . . . . . . . 101 LEU HA . 52737 1 543 . 1 . 1 101 101 LEU C C 13 177.4405319 0.006996881183 . . . . . . . 101 LEU C . 52737 1 544 . 1 . 1 101 101 LEU CA C 13 55.03925957 0.05710433401 . . . . . . . 101 LEU CA . 52737 1 545 . 1 . 1 101 101 LEU CB C 13 42.35859432 0.03086111481 . . . . . . . 101 LEU CB . 52737 1 546 . 1 . 1 101 101 LEU N N 15 122.4558538 0.0075872865 . . . . . . . 101 LEU N . 52737 1 547 . 1 . 1 102 102 LYS H H 1 8.451993402 0.001265418692 . . . . . . . 102 LYS H . 52737 1 548 . 1 . 1 102 102 LYS HA H 1 4.255159876 . . . . . . . . 102 LYS HA . 52737 1 549 . 1 . 1 102 102 LYS C C 13 176.4943197 . . . . . . . . 102 LYS C . 52737 1 550 . 1 . 1 102 102 LYS CA C 13 56.28926727 . . . . . . . . 102 LYS CA . 52737 1 551 . 1 . 1 102 102 LYS CB C 13 33.04352245 . . . . . . . . 102 LYS CB . 52737 1 552 . 1 . 1 102 102 LYS N N 15 123.1911452 0.008013168412 . . . . . . . 102 LYS N . 52737 1 553 . 1 . 1 104 104 GLU C C 13 176.9206791 0.01209515596 . . . . . . . 104 GLU C . 52737 1 554 . 1 . 1 104 104 GLU CA C 13 56.76492355 0.02401336645 . . . . . . . 104 GLU CA . 52737 1 555 . 1 . 1 104 104 GLU CB C 13 30.36746253 0.03794441455 . . . . . . . 104 GLU CB . 52737 1 556 . 1 . 1 105 105 GLY H H 1 8.568491574 0.001553702608 . . . . . . . 105 GLY H . 52737 1 557 . 1 . 1 105 105 GLY HA2 H 1 3.945036579 . . . . . . . . 105 GLY HA . 52737 1 558 . 1 . 1 105 105 GLY HA3 H 1 3.945036579 . . . . . . . . 105 GLY HA . 52737 1 559 . 1 . 1 105 105 GLY C C 13 173.9742131 0.01156549118 . . . . . . . 105 GLY C . 52737 1 560 . 1 . 1 105 105 GLY CA C 13 45.17450872 0.04666521045 . . . . . . . 105 GLY CA . 52737 1 561 . 1 . 1 105 105 GLY N N 15 110.2841387 0.02376317185 . . . . . . . 105 GLY N . 52737 1 562 . 1 . 1 106 106 ILE H H 1 8.155950464 0.002303632988 . . . . . . . 106 ILE H . 52737 1 563 . 1 . 1 106 106 ILE HA H 1 4.13589053 . . . . . . . . 106 ILE HA . 52737 1 564 . 1 . 1 106 106 ILE C C 13 176.3770029 0.00963388842 . . . . . . . 106 ILE C . 52737 1 565 . 1 . 1 106 106 ILE CA C 13 61.29497401 0.06641556222 . . . . . . . 106 ILE CA . 52737 1 566 . 1 . 1 106 106 ILE CB C 13 38.68511176 0.01804402688 . . . . . . . 106 ILE CB . 52737 1 567 . 1 . 1 106 106 ILE N N 15 120.5830119 0.003070171949 . . . . . . . 106 ILE N . 52737 1 568 . 1 . 1 107 107 ARG H H 1 8.575143196 0.0005529418007 . . . . . . . 107 ARG H . 52737 1 569 . 1 . 1 107 107 ARG HA H 1 4.329400028 . . . . . . . . 107 ARG HA . 52737 1 570 . 1 . 1 107 107 ARG C C 13 176.0671668 0.006850702442 . . . . . . . 107 ARG C . 52737 1 571 . 1 . 1 107 107 ARG CA C 13 56.0025214 0.02273744055 . . . . . . . 107 ARG CA . 52737 1 572 . 1 . 1 107 107 ARG CB C 13 30.74698009 0.006583570924 . . . . . . . 107 ARG CB . 52737 1 573 . 1 . 1 107 107 ARG N N 15 126.1981433 0.00348095724 . . . . . . . 107 ARG N . 52737 1 574 . 1 . 1 108 108 ARG H H 1 8.606415249 0.001084478213 . . . . . . . 108 ARG H . 52737 1 575 . 1 . 1 108 108 ARG HA H 1 4.385121442 . . . . . . . . 108 ARG HA . 52737 1 576 . 1 . 1 108 108 ARG C C 13 176.1975271 0.0199386001 . . . . . . . 108 ARG C . 52737 1 577 . 1 . 1 108 108 ARG CA C 13 55.96332532 0.01193245283 . . . . . . . 108 ARG CA . 52737 1 578 . 1 . 1 108 108 ARG CB C 13 30.83920921 0.01514090404 . . . . . . . 108 ARG CB . 52737 1 579 . 1 . 1 108 108 ARG N N 15 124.1383679 0.004591413073 . . . . . . . 108 ARG N . 52737 1 580 . 1 . 1 109 109 VAL H H 1 8.423992913 0.002457592912 . . . . . . . 109 VAL H . 52737 1 581 . 1 . 1 109 109 VAL HA H 1 4.133409831 . . . . . . . . 109 VAL HA . 52737 1 582 . 1 . 1 109 109 VAL C C 13 176.5694506 0.005363554228 . . . . . . . 109 VAL C . 52737 1 583 . 1 . 1 109 109 VAL CA C 13 62.37938262 0.02836197978 . . . . . . . 109 VAL CA . 52737 1 584 . 1 . 1 109 109 VAL CB C 13 32.89631419 0.01581094207 . . . . . . . 109 VAL CB . 52737 1 585 . 1 . 1 109 109 VAL N N 15 122.5590729 0.006002741758 . . . . . . . 109 VAL N . 52737 1 586 . 1 . 1 110 110 GLY H H 1 8.651051286 0.004486332919 . . . . . . . 110 GLY H . 52737 1 587 . 1 . 1 110 110 GLY HA2 H 1 3.972132802 . . . . . . . . 110 GLY HA . 52737 1 588 . 1 . 1 110 110 GLY HA3 H 1 3.972132802 . . . . . . . . 110 GLY HA . 52737 1 589 . 1 . 1 110 110 GLY C C 13 173.6885394 0.009421339256 . . . . . . . 110 GLY C . 52737 1 590 . 1 . 1 110 110 GLY CA C 13 44.92661637 0.01078157353 . . . . . . . 110 GLY CA . 52737 1 591 . 1 . 1 110 110 GLY N N 15 113.1646414 0.004054831647 . . . . . . . 110 GLY N . 52737 1 592 . 1 . 1 111 111 ARG H H 1 8.374235247 0.002813132092 . . . . . . . 111 ARG H . 52737 1 593 . 1 . 1 111 111 ARG HA H 1 4.344540968 . . . . . . . . 111 ARG HA . 52737 1 594 . 1 . 1 111 111 ARG C C 13 176.4223825 0.009854341585 . . . . . . . 111 ARG C . 52737 1 595 . 1 . 1 111 111 ARG CA C 13 55.85595757 0.03435223432 . . . . . . . 111 ARG CA . 52737 1 596 . 1 . 1 111 111 ARG CB C 13 31.16365642 0.03721128426 . . . . . . . 111 ARG CB . 52737 1 597 . 1 . 1 111 111 ARG N N 15 120.9869011 0.008848778857 . . . . . . . 111 ARG N . 52737 1 598 . 1 . 1 112 112 ARG H H 1 8.725008135 0.00424944477 . . . . . . . 112 ARG H . 52737 1 599 . 1 . 1 112 112 ARG HA H 1 4.606002533 . . . . . . . . 112 ARG HA . 52737 1 600 . 1 . 1 112 112 ARG C C 13 174.9169324 . . . . . . . . 112 ARG C . 52737 1 601 . 1 . 1 112 112 ARG CA C 13 54.29049276 . . . . . . . . 112 ARG CA . 52737 1 602 . 1 . 1 112 112 ARG CB C 13 30.18484378 . . . . . . . . 112 ARG CB . 52737 1 603 . 1 . 1 112 112 ARG N N 15 124.5853766 0.004641663495 . . . . . . . 112 ARG N . 52737 1 604 . 1 . 1 113 113 PRO C C 13 176.8398446 . . . . . . . . 113 PRO C . 52737 1 605 . 1 . 1 113 113 PRO CA C 13 63.70894015 0.07688804691 . . . . . . . 113 PRO CA . 52737 1 606 . 1 . 1 113 113 PRO CB C 13 32.07183339 . . . . . . . . 113 PRO CB . 52737 1 607 . 1 . 1 114 114 ASP H H 1 8.51531668 0.005832015659 . . . . . . . 114 ASP H . 52737 1 608 . 1 . 1 114 114 ASP HA H 1 4.544359618 . . . . . . . . 114 ASP HA . 52737 1 609 . 1 . 1 114 114 ASP C C 13 176.4331493 0.01052063768 . . . . . . . 114 ASP C . 52737 1 610 . 1 . 1 114 114 ASP CA C 13 54.55152679 0.03095467773 . . . . . . . 114 ASP CA . 52737 1 611 . 1 . 1 114 114 ASP CB C 13 40.64257358 0.0148501638 . . . . . . . 114 ASP CB . 52737 1 612 . 1 . 1 114 114 ASP N N 15 119.1630263 0.003455821239 . . . . . . . 114 ASP N . 52737 1 613 . 1 . 1 115 115 GLN H H 1 8.303515819 0.0004902415906 . . . . . . . 115 GLN H . 52737 1 614 . 1 . 1 115 115 GLN HA H 1 4.271980106 . . . . . . . . 115 GLN HA . 52737 1 615 . 1 . 1 115 115 GLN C C 13 175.9899127 0.004899397267 . . . . . . . 115 GLN C . 52737 1 616 . 1 . 1 115 115 GLN CA C 13 55.9557931 0.0007665554425 . . . . . . . 115 GLN CA . 52737 1 617 . 1 . 1 115 115 GLN CB C 13 29.6097472 0.02470790102 . . . . . . . 115 GLN CB . 52737 1 618 . 1 . 1 115 115 GLN N N 15 120.2718207 0.005710566291 . . . . . . . 115 GLN N . 52737 1 619 . 1 . 1 116 116 GLN H H 1 8.48378112 0.003221040525 . . . . . . . 116 GLN H . 52737 1 620 . 1 . 1 116 116 GLN HA H 1 4.29495207 . . . . . . . . 116 GLN HA . 52737 1 621 . 1 . 1 116 116 GLN C C 13 176.1246727 0.0002496878908 . . . . . . . 116 GLN C . 52737 1 622 . 1 . 1 116 116 GLN CA C 13 55.94215776 0.02124651967 . . . . . . . 116 GLN CA . 52737 1 623 . 1 . 1 116 116 GLN CB C 13 29.3010945 0.05282852773 . . . . . . . 116 GLN CB . 52737 1 624 . 1 . 1 116 116 GLN N N 15 121.4047954 0.009353827786 . . . . . . . 116 GLN N . 52737 1 625 . 1 . 1 117 117 LEU H H 1 8.45013843 0.0009335046934 . . . . . . . 117 LEU H . 52737 1 626 . 1 . 1 117 117 LEU HA H 1 4.34853893 . . . . . . . . 117 LEU HA . 52737 1 627 . 1 . 1 117 117 LEU C C 13 177.5172315 0.003724737882 . . . . . . . 117 LEU C . 52737 1 628 . 1 . 1 117 117 LEU CA C 13 55.29426639 0.009359311761 . . . . . . . 117 LEU CA . 52737 1 629 . 1 . 1 117 117 LEU CB C 13 42.16511068 0.0284154585 . . . . . . . 117 LEU CB . 52737 1 630 . 1 . 1 117 117 LEU N N 15 123.4562273 0.007083936346 . . . . . . . 117 LEU N . 52737 1 631 . 1 . 1 118 118 GLN H H 1 8.551594685 0.003003936149 . . . . . . . 118 GLN H . 52737 1 632 . 1 . 1 118 118 GLN HA H 1 4.346591385 . . . . . . . . 118 GLN HA . 52737 1 633 . 1 . 1 118 118 GLN C C 13 176.5303813 0.009302870202 . . . . . . . 118 GLN C . 52737 1 634 . 1 . 1 118 118 GLN CA C 13 55.98506691 0.01001746527 . . . . . . . 118 GLN CA . 52737 1 635 . 1 . 1 118 118 GLN CB C 13 29.38939167 0.01947920391 . . . . . . . 118 GLN CB . 52737 1 636 . 1 . 1 118 118 GLN N N 15 121.1628237 0.01041122892 . . . . . . . 118 GLN N . 52737 1 637 . 1 . 1 119 119 GLY H H 1 8.56134775 0.001059041836 . . . . . . . 119 GLY H . 52737 1 638 . 1 . 1 119 119 GLY HA2 H 1 3.966361583 . . . . . . . . 119 GLY HA . 52737 1 639 . 1 . 1 119 119 GLY HA3 H 1 3.966361583 . . . . . . . . 119 GLY HA . 52737 1 640 . 1 . 1 119 119 GLY C C 13 174.24174 0.02228534756 . . . . . . . 119 GLY C . 52737 1 641 . 1 . 1 119 119 GLY CA C 13 45.28072568 0.04592521097 . . . . . . . 119 GLY CA . 52737 1 642 . 1 . 1 119 119 GLY N N 15 110.4539022 0.01242918289 . . . . . . . 119 GLY N . 52737 1 643 . 1 . 1 120 120 GLU H H 1 8.487288705 0.00305491376 . . . . . . . 120 GLU H . 52737 1 644 . 1 . 1 120 120 GLU HA H 1 4.261448041 . . . . . . . . 120 GLU HA . 52737 1 645 . 1 . 1 120 120 GLU C C 13 177.1672888 0.004507202844 . . . . . . . 120 GLU C . 52737 1 646 . 1 . 1 120 120 GLU CA C 13 56.77431032 0.01787673555 . . . . . . . 120 GLU CA . 52737 1 647 . 1 . 1 120 120 GLU CB C 13 30.27325175 0.02765953991 . . . . . . . 120 GLU CB . 52737 1 648 . 1 . 1 120 120 GLU N N 15 120.707917 0.00664302298 . . . . . . . 120 GLU N . 52737 1 649 . 1 . 1 121 121 GLY H H 1 8.623711681 0.005501824415 . . . . . . . 121 GLY H . 52737 1 650 . 1 . 1 121 121 GLY HA2 H 1 3.905431332 . . . . . . . . 121 GLY HA . 52737 1 651 . 1 . 1 121 121 GLY HA3 H 1 3.905431332 . . . . . . . . 121 GLY HA . 52737 1 652 . 1 . 1 121 121 GLY C C 13 173.9332654 0.005885514488 . . . . . . . 121 GLY C . 52737 1 653 . 1 . 1 121 121 GLY CA C 13 45.31394595 0.05112432314 . . . . . . . 121 GLY CA . 52737 1 654 . 1 . 1 121 121 GLY N N 15 110.0656502 0.006462592423 . . . . . . . 121 GLY N . 52737 1 655 . 1 . 1 122 122 LYS H H 1 8.199818556 0.006184136478 . . . . . . . 122 LYS H . 52737 1 656 . 1 . 1 122 122 LYS HA H 1 4.334804727 . . . . . . . . 122 LYS HA . 52737 1 657 . 1 . 1 122 122 LYS C C 13 176.5251812 0.009436292339 . . . . . . . 122 LYS C . 52737 1 658 . 1 . 1 122 122 LYS CA C 13 56.11926011 0.02326792326 . . . . . . . 122 LYS CA . 52737 1 659 . 1 . 1 122 122 LYS CB C 13 33.1508644 0.005621545054 . . . . . . . 122 LYS CB . 52737 1 660 . 1 . 1 122 122 LYS N N 15 120.8669456 0.004274063363 . . . . . . . 122 LYS N . 52737 1 661 . 1 . 1 123 123 ILE H H 1 8.401671506 0.0003431216742 . . . . . . . 123 ILE H . 52737 1 662 . 1 . 1 123 123 ILE C C 13 176.369345 0.008945281875 . . . . . . . 123 ILE C . 52737 1 663 . 1 . 1 123 123 ILE CA C 13 61.19305305 0.05387273597 . . . . . . . 123 ILE CA . 52737 1 664 . 1 . 1 123 123 ILE CB C 13 38.31908946 0.01167424026 . . . . . . . 123 ILE CB . 52737 1 665 . 1 . 1 123 123 ILE N N 15 123.5629607 0.003107132978 . . . . . . . 123 ILE N . 52737 1 666 . 1 . 1 124 124 ILE H H 1 8.424152388 0.006316181165 . . . . . . . 124 ILE H . 52737 1 667 . 1 . 1 124 124 ILE HA H 1 4.109510934 . . . . . . . . 124 ILE HA . 52737 1 668 . 1 . 1 124 124 ILE C C 13 175.6147195 0.004156646589 . . . . . . . 124 ILE C . 52737 1 669 . 1 . 1 124 124 ILE CA C 13 60.98595479 0.07463287018 . . . . . . . 124 ILE CA . 52737 1 670 . 1 . 1 124 124 ILE CB C 13 38.69158762 0.03876140962 . . . . . . . 124 ILE CB . 52737 1 671 . 1 . 1 124 124 ILE N N 15 126.3151191 0.004925530181 . . . . . . . 124 ILE N . 52737 1 672 . 1 . 1 125 125 ASP H H 1 8.512618185 0.001788652772 . . . . . . . 125 ASP H . 52737 1 673 . 1 . 1 125 125 ASP HA H 1 4.609108259 . . . . . . . . 125 ASP HA . 52737 1 674 . 1 . 1 125 125 ASP C C 13 175.9120635 0.01125743226 . . . . . . . 125 ASP C . 52737 1 675 . 1 . 1 125 125 ASP CA C 13 54.1127993 0.07074634694 . . . . . . . 125 ASP CA . 52737 1 676 . 1 . 1 125 125 ASP CB C 13 41.1718003 0.01304621596 . . . . . . . 125 ASP CB . 52737 1 677 . 1 . 1 125 125 ASP N N 15 125.4922352 0.01150602905 . . . . . . . 125 ASP N . 52737 1 678 . 1 . 1 126 126 ARG H H 1 8.457115849 0.003519267506 . . . . . . . 126 ARG H . 52737 1 679 . 1 . 1 126 126 ARG HA H 1 4.339718489 . . . . . . . . 126 ARG HA . 52737 1 680 . 1 . 1 126 126 ARG C C 13 176.2191323 0.006700043644 . . . . . . . 126 ARG C . 52737 1 681 . 1 . 1 126 126 ARG CA C 13 55.75693541 0.06752267826 . . . . . . . 126 ARG CA . 52737 1 682 . 1 . 1 126 126 ARG CB C 13 30.55871701 0.02251169122 . . . . . . . 126 ARG CB . 52737 1 683 . 1 . 1 126 126 ARG N N 15 122.8178264 0.01006344234 . . . . . . . 126 ARG N . 52737 1 684 . 1 . 1 127 127 ARG H H 1 8.522370291 0.006234751686 . . . . . . . 127 ARG H . 52737 1 685 . 1 . 1 127 127 ARG HA H 1 4.523806602 . . . . . . . . 127 ARG HA . 52737 1 686 . 1 . 1 127 127 ARG C C 13 174.5354826 . . . . . . . . 127 ARG C . 52737 1 687 . 1 . 1 127 127 ARG CA C 13 54.55472895 . . . . . . . . 127 ARG CA . 52737 1 688 . 1 . 1 127 127 ARG CB C 13 29.76231244 . . . . . . . . 127 ARG CB . 52737 1 689 . 1 . 1 127 127 ARG N N 15 123.9142121 0.01152235016 . . . . . . . 127 ARG N . 52737 1 690 . 1 . 1 128 128 PRO C C 13 176.9764618 0.01640164756 . . . . . . . 128 PRO C . 52737 1 691 . 1 . 1 128 128 PRO CA C 13 63.29141285 0.02889865771 . . . . . . . 128 PRO CA . 52737 1 692 . 1 . 1 128 128 PRO CB C 13 32.02146563 0.01372741071 . . . . . . . 128 PRO CB . 52737 1 693 . 1 . 1 129 129 GLU H H 1 8.731231184 0.003064662543 . . . . . . . 129 GLU H . 52737 1 694 . 1 . 1 129 129 GLU HA H 1 4.241750179 . . . . . . . . 129 GLU HA . 52737 1 695 . 1 . 1 129 129 GLU C C 13 176.4400807 0.006837591595 . . . . . . . 129 GLU C . 52737 1 696 . 1 . 1 129 129 GLU CA C 13 56.62493152 0.03292259658 . . . . . . . 129 GLU CA . 52737 1 697 . 1 . 1 129 129 GLU CB C 13 30.17384671 0.02862977239 . . . . . . . 129 GLU CB . 52737 1 698 . 1 . 1 129 129 GLU N N 15 121.3374717 0.002880415046 . . . . . . . 129 GLU N . 52737 1 699 . 1 . 1 130 130 ARG H H 1 8.496977424 0.004887806469 . . . . . . . 130 ARG H . 52737 1 700 . 1 . 1 130 130 ARG HA H 1 4.261855183 . . . . . . . . 130 ARG HA . 52737 1 701 . 1 . 1 130 130 ARG C C 13 176.0145457 0.005804382802 . . . . . . . 130 ARG C . 52737 1 702 . 1 . 1 130 130 ARG CA C 13 55.82226799 0.03067065411 . . . . . . . 130 ARG CA . 52737 1 703 . 1 . 1 130 130 ARG CB C 13 30.62573234 0.05985326659 . . . . . . . 130 ARG CB . 52737 1 704 . 1 . 1 130 130 ARG N N 15 122.9664223 0.03406426953 . . . . . . . 130 ARG N . 52737 1 705 . 1 . 1 131 131 ARG H H 1 8.554005821 0.002082505396 . . . . . . . 131 ARG H . 52737 1 706 . 1 . 1 131 131 ARG HA H 1 4.578764727 . . . . . . . . 131 ARG HA . 52737 1 707 . 1 . 1 131 131 ARG C C 13 173.756956 . . . . . . . . 131 ARG C . 52737 1 708 . 1 . 1 131 131 ARG CA C 13 53.870722 . . . . . . . . 131 ARG CA . 52737 1 709 . 1 . 1 131 131 ARG CB C 13 29.99755507 . . . . . . . . 131 ARG CB . 52737 1 710 . 1 . 1 131 131 ARG N N 15 124.1454462 0.01256194022 . . . . . . . 131 ARG N . 52737 1 711 . 1 . 1 133 133 PRO C C 13 177.0373968 0.00269739763 . . . . . . . 133 PRO C . 52737 1 712 . 1 . 1 133 133 PRO CA C 13 63.14802279 0.01530167344 . . . . . . . 133 PRO CA . 52737 1 713 . 1 . 1 133 133 PRO CB C 13 32.07485357 0.0269731444 . . . . . . . 133 PRO CB . 52737 1 714 . 1 . 1 134 134 ARG H H 1 8.595714971 0.001539914702 . . . . . . . 134 ARG H . 52737 1 715 . 1 . 1 134 134 ARG HA H 1 4.236970518 . . . . . . . . 134 ARG HA . 52737 1 716 . 1 . 1 134 134 ARG C C 13 176.4686865 0.01273756435 . . . . . . . 134 ARG C . 52737 1 717 . 1 . 1 134 134 ARG CA C 13 56.39845613 0.06593761743 . . . . . . . 134 ARG CA . 52737 1 718 . 1 . 1 134 134 ARG CB C 13 30.73085202 0.0195037328 . . . . . . . 134 ARG CB . 52737 1 719 . 1 . 1 134 134 ARG N N 15 121.0768664 0.01510970714 . . . . . . . 134 ARG N . 52737 1 720 . 1 . 1 135 135 GLU H H 1 8.579417064 0.007856210447 . . . . . . . 135 GLU H . 52737 1 721 . 1 . 1 135 135 GLU HA H 1 4.280831798 . . . . . . . . 135 GLU HA . 52737 1 722 . 1 . 1 135 135 GLU C C 13 176.3828076 0.004290902409 . . . . . . . 135 GLU C . 52737 1 723 . 1 . 1 135 135 GLU CA C 13 56.54017793 0.04167604597 . . . . . . . 135 GLU CA . 52737 1 724 . 1 . 1 135 135 GLU CB C 13 30.34176311 0.03087115963 . . . . . . . 135 GLU CB . 52737 1 725 . 1 . 1 135 135 GLU N N 15 122.1704391 0.00687010615 . . . . . . . 135 GLU N . 52737 1 726 . 1 . 1 136 136 ARG H H 1 8.507457463 0.001602762151 . . . . . . . 136 ARG H . 52737 1 727 . 1 . 1 136 136 ARG HA H 1 4.250633049 . . . . . . . . 136 ARG HA . 52737 1 728 . 1 . 1 136 136 ARG C C 13 176.1891886 0.008767921715 . . . . . . . 136 ARG C . 52737 1 729 . 1 . 1 136 136 ARG CA C 13 56.25656176 0.1241243891 . . . . . . . 136 ARG CA . 52737 1 730 . 1 . 1 136 136 ARG CB C 13 30.55024212 0.07281084335 . . . . . . . 136 ARG CB . 52737 1 731 . 1 . 1 136 136 ARG N N 15 123.0793498 0.009576552463 . . . . . . . 136 ARG N . 52737 1 732 . 1 . 1 137 137 ARG H H 1 8.450396212 0.001207850917 . . . . . . . 137 ARG H . 52737 1 733 . 1 . 1 137 137 ARG HA H 1 4.24642908 . . . . . . . . 137 ARG HA . 52737 1 734 . 1 . 1 137 137 ARG C C 13 175.9083583 0.01166613681 . . . . . . . 137 ARG C . 52737 1 735 . 1 . 1 137 137 ARG CA C 13 56.25868159 0.0831062097 . . . . . . . 137 ARG CA . 52737 1 736 . 1 . 1 137 137 ARG CB C 13 30.72520335 0.003544416783 . . . . . . . 137 ARG CB . 52737 1 737 . 1 . 1 137 137 ARG N N 15 122.2625484 0.009548058378 . . . . . . . 137 ARG N . 52737 1 738 . 1 . 1 138 138 PHE H H 1 8.418369444 0.003386964416 . . . . . . . 138 PHE H . 52737 1 739 . 1 . 1 138 138 PHE HA H 1 4.663143242 . . . . . . . . 138 PHE HA . 52737 1 740 . 1 . 1 138 138 PHE C C 13 175.4893957 0.01032535215 . . . . . . . 138 PHE C . 52737 1 741 . 1 . 1 138 138 PHE CA C 13 57.60517971 0.002608310675 . . . . . . . 138 PHE CA . 52737 1 742 . 1 . 1 138 138 PHE CB C 13 39.46846782 0.01828557308 . . . . . . . 138 PHE CB . 52737 1 743 . 1 . 1 138 138 PHE N N 15 121.229766 0.03825170574 . . . . . . . 138 PHE N . 52737 1 744 . 1 . 1 139 139 GLU H H 1 8.313164918 0.007401213197 . . . . . . . 139 GLU H . 52737 1 745 . 1 . 1 139 139 GLU HA H 1 4.279405434 . . . . . . . . 139 GLU HA . 52737 1 746 . 1 . 1 139 139 GLU C C 13 175.6921408 0.007447343306 . . . . . . . 139 GLU C . 52737 1 747 . 1 . 1 139 139 GLU CA C 13 56.04805983 0.03461031085 . . . . . . . 139 GLU CA . 52737 1 748 . 1 . 1 139 139 GLU CB C 13 30.5324789 0.03120665825 . . . . . . . 139 GLU CB . 52737 1 749 . 1 . 1 139 139 GLU N N 15 122.8798928 0.01099066731 . . . . . . . 139 GLU N . 52737 1 750 . 1 . 1 140 140 LYS H H 1 8.447109645 0.0007031102752 . . . . . . . 140 LYS H . 52737 1 751 . 1 . 1 140 140 LYS HA H 1 4.552621001 . . . . . . . . 140 LYS HA . 52737 1 752 . 1 . 1 140 140 LYS C C 13 174.3981543 . . . . . . . . 140 LYS C . 52737 1 753 . 1 . 1 140 140 LYS CA C 13 54.41157848 . . . . . . . . 140 LYS CA . 52737 1 754 . 1 . 1 140 140 LYS CB C 13 32.53295879 . . . . . . . . 140 LYS CB . 52737 1 755 . 1 . 1 140 140 LYS N N 15 123.9711645 0.003720147703 . . . . . . . 140 LYS N . 52737 1 756 . 1 . 1 141 141 PRO C C 13 176.9532208 0.008358509652 . . . . . . . 141 PRO C . 52737 1 757 . 1 . 1 141 141 PRO CA C 13 63.07226174 0.04183641217 . . . . . . . 141 PRO CA . 52737 1 758 . 1 . 1 141 141 PRO CB C 13 32.18551081 0.008154451913 . . . . . . . 141 PRO CB . 52737 1 759 . 1 . 1 142 142 LEU H H 1 8.535533771 0.0004524759559 . . . . . . . 142 LEU H . 52737 1 760 . 1 . 1 142 142 LEU HA H 1 4.234863784 . . . . . . . . 142 LEU HA . 52737 1 761 . 1 . 1 142 142 LEU C C 13 177.6426285 0.00669149959 . . . . . . . 142 LEU C . 52737 1 762 . 1 . 1 142 142 LEU CA C 13 55.59183247 0.05239272886 . . . . . . . 142 LEU CA . 52737 1 763 . 1 . 1 142 142 LEU CB C 13 42.13706028 0.01630034868 . . . . . . . 142 LEU CB . 52737 1 764 . 1 . 1 142 142 LEU N N 15 122.7321114 0.003710374811 . . . . . . . 142 LEU N . 52737 1 765 . 1 . 1 143 143 GLU H H 1 8.524008554 0.002542984512 . . . . . . . 143 GLU H . 52737 1 766 . 1 . 1 143 143 GLU HA H 1 4.258440071 . . . . . . . . 143 GLU HA . 52737 1 767 . 1 . 1 143 143 GLU C C 13 176.280138 0.009597405713 . . . . . . . 143 GLU C . 52737 1 768 . 1 . 1 143 143 GLU CA C 13 56.34374933 0.06796427429 . . . . . . . 143 GLU CA . 52737 1 769 . 1 . 1 143 143 GLU CB C 13 30.36550168 0.03120903621 . . . . . . . 143 GLU CB . 52737 1 770 . 1 . 1 143 143 GLU N N 15 121.6224517 0.003634883337 . . . . . . . 143 GLU N . 52737 1 771 . 1 . 1 144 144 GLU H H 1 8.530207535 0.0006067622386 . . . . . . . 144 GLU H . 52737 1 772 . 1 . 1 144 144 GLU HA H 1 4.299382673 . . . . . . . . 144 GLU HA . 52737 1 773 . 1 . 1 144 144 GLU C C 13 176.4426087 0.009448146319 . . . . . . . 144 GLU C . 52737 1 774 . 1 . 1 144 144 GLU CA C 13 56.32463858 0.07560284842 . . . . . . . 144 GLU CA . 52737 1 775 . 1 . 1 144 144 GLU CB C 13 30.33506237 0.02751003735 . . . . . . . 144 GLU CB . 52737 1 776 . 1 . 1 144 144 GLU N N 15 122.9146072 0.003068838302 . . . . . . . 144 GLU N . 52737 1 777 . 1 . 1 145 145 LYS H H 1 8.605244946 0.005159919037 . . . . . . . 145 LYS H . 52737 1 778 . 1 . 1 145 145 LYS HA H 1 4.298715011 . . . . . . . . 145 LYS HA . 52737 1 779 . 1 . 1 145 145 LYS C C 13 177.2107729 0.004439313276 . . . . . . . 145 LYS C . 52737 1 780 . 1 . 1 145 145 LYS CA C 13 56.50316483 0.0535104024 . . . . . . . 145 LYS CA . 52737 1 781 . 1 . 1 145 145 LYS CB C 13 33.07221016 0.004615815883 . . . . . . . 145 LYS CB . 52737 1 782 . 1 . 1 145 145 LYS N N 15 123.1912364 0.006851445589 . . . . . . . 145 LYS N . 52737 1 783 . 1 . 1 146 146 GLY H H 1 8.591419516 0.001535669277 . . . . . . . 146 GLY H . 52737 1 784 . 1 . 1 146 146 GLY HA2 H 1 3.987607291 . . . . . . . . 146 GLY HA . 52737 1 785 . 1 . 1 146 146 GLY HA3 H 1 3.987607291 . . . . . . . . 146 GLY HA . 52737 1 786 . 1 . 1 146 146 GLY C C 13 174.310377 0.006295956467 . . . . . . . 146 GLY C . 52737 1 787 . 1 . 1 146 146 GLY CA C 13 45.03857427 0.03087460358 . . . . . . . 146 GLY CA . 52737 1 788 . 1 . 1 146 146 GLY N N 15 110.3262303 0.004986935987 . . . . . . . 146 GLY N . 52737 1 789 . 1 . 1 147 147 GLU H H 1 8.595052388 0.005709508052 . . . . . . . 147 GLU H . 52737 1 790 . 1 . 1 147 147 GLU HA H 1 4.315863903 . . . . . . . . 147 GLU HA . 52737 1 791 . 1 . 1 147 147 GLU C C 13 177.2842171 0.006059693735 . . . . . . . 147 GLU C . 52737 1 792 . 1 . 1 147 147 GLU CA C 13 56.84598161 0.01418547533 . . . . . . . 147 GLU CA . 52737 1 793 . 1 . 1 147 147 GLU CB C 13 30.19756735 0.03656108549 . . . . . . . 147 GLU CB . 52737 1 794 . 1 . 1 147 147 GLU N N 15 120.8936759 0.009410694729 . . . . . . . 147 GLU N . 52737 1 795 . 1 . 1 148 148 GLY H H 1 8.696093996 0.007932171243 . . . . . . . 148 GLY H . 52737 1 796 . 1 . 1 148 148 GLY HA2 H 1 3.985676776 . . . . . . . . 148 GLY HA . 52737 1 797 . 1 . 1 148 148 GLY HA3 H 1 3.985676776 . . . . . . . . 148 GLY HA . 52737 1 798 . 1 . 1 148 148 GLY C C 13 173.8843377 . . . . . . . . 148 GLY C . 52737 1 799 . 1 . 1 148 148 GLY CA C 13 45.31326973 0.04426099488 . . . . . . . 148 GLY CA . 52737 1 800 . 1 . 1 148 148 GLY N N 15 110.7122989 0.005220499097 . . . . . . . 148 GLY N . 52737 1 801 . 1 . 1 149 149 GLY H H 1 8.083444408 0.004167140878 . . . . . . . 149 GLY H . 52737 1 802 . 1 . 1 149 149 GLY HA2 H 1 3.784195669 . . . . . . . . 149 GLY HA . 52737 1 803 . 1 . 1 149 149 GLY HA3 H 1 3.784195669 . . . . . . . . 149 GLY HA . 52737 1 804 . 1 . 1 149 149 GLY C C 13 179.177443 . . . . . . . . 149 GLY C . 52737 1 805 . 1 . 1 149 149 GLY CA C 13 45.96827703 . . . . . . . . 149 GLY CA . 52737 1 806 . 1 . 1 149 149 GLY N N 15 115.18465 0.005130981951 . . . . . . . 149 GLY N . 52737 1 stop_ save_