data_26309 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 26309 _Entry.Title ; Backbone 1H, 15N, and 13C resonance assignments of the Phafin2 PH domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-08-03 _Entry.Accession_date 2021-08-06 _Entry.Last_release_date 2021-08-06 _Entry.Original_release_date 2021-08-06 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.0.16 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details ; Phafin2 PH domain (amino acids 1-135) backbone resonance assignments. Assignments include resonances of the last three amino acids from the vector (-5 GPGLS -1) ; _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 Jeffrey Ellena . F. . . 26309 2 Tuo-Xian Tang . . . . 26309 3 Narasimhamurthy Shanaiah . . . . 26309 4 Daniel Capelluto . G.S. . 0000-0002-0412-4508 26309 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26309 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 407 26309 '15N chemical shifts' 132 26309 '1H chemical shifts' 132 26309 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 . . 2022-05-12 . original BMRB . 26309 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 26309 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI 34739631 _Citation.Full_citation . _Citation.Title ; Backbone 1 H, 15 N, and 13 C resonance assignments of the Phafin2 pleckstrin homology domain ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 16 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 27 _Citation.Page_last 30 _Citation.Year 2022 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Jeffrey Ellena . F. . . 26309 1 2 Tuo-Xian Tang . . . . 26309 1 3 Narasimhamurthy Shanaiah . . . . 26309 1 4 Daniel Capelluto . G.S. . . 26309 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Phafin2, PH domain, FYVE domain, endosome, phosphoinositide' 26309 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 26309 _Assembly.ID 1 _Assembly.Name 'Phafin2 PH domain' _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 15616.17 _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 'Phafin2 PH domain' 1 $entity_1 . . yes native no no . . . 26309 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 26309 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Human Phafin2 pleckstrin homology domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPLGSMVDRLANSEANTRRI SIVENCFGAAGQPLTIPGRV LIGEGVLTKLCRKKPKARQF FLFNDILVYGNIVIQKKKYN KQHIIPLENVTIDSIKDEGD LRNGWLIKTPTKSFAVYAAT ATEKSEWMNHINKCVTDLLS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; The first five residues of the sequence (GPLGS) are non-native amino acids that remained from HRV-3C protease cleavage of the GST tag. The remaining sequence belongs to the Phafin2 PH domain (residues 1-135). ; _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 140 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not available' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation no _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_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Phosphatidylinositol 3-phosphate binding' 26309 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 GLY . 26309 1 2 2 PRO . 26309 1 3 3 LEU . 26309 1 4 4 GLY . 26309 1 5 5 SER . 26309 1 6 6 MET . 26309 1 7 7 VAL . 26309 1 8 8 ASP . 26309 1 9 9 ARG . 26309 1 10 10 LEU . 26309 1 11 11 ALA . 26309 1 12 12 ASN . 26309 1 13 13 SER . 26309 1 14 14 GLU . 26309 1 15 15 ALA . 26309 1 16 16 ASN . 26309 1 17 17 THR . 26309 1 18 18 ARG . 26309 1 19 19 ARG . 26309 1 20 20 ILE . 26309 1 21 21 SER . 26309 1 22 22 ILE . 26309 1 23 23 VAL . 26309 1 24 24 GLU . 26309 1 25 25 ASN . 26309 1 26 26 CYS . 26309 1 27 27 PHE . 26309 1 28 28 GLY . 26309 1 29 29 ALA . 26309 1 30 30 ALA . 26309 1 31 31 GLY . 26309 1 32 32 GLN . 26309 1 33 33 PRO . 26309 1 34 34 LEU . 26309 1 35 35 THR . 26309 1 36 36 ILE . 26309 1 37 37 PRO . 26309 1 38 38 GLY . 26309 1 39 39 ARG . 26309 1 40 40 VAL . 26309 1 41 41 LEU . 26309 1 42 42 ILE . 26309 1 43 43 GLY . 26309 1 44 44 GLU . 26309 1 45 45 GLY . 26309 1 46 46 VAL . 26309 1 47 47 LEU . 26309 1 48 48 THR . 26309 1 49 49 LYS . 26309 1 50 50 LEU . 26309 1 51 51 CYS . 26309 1 52 52 ARG . 26309 1 53 53 LYS . 26309 1 54 54 LYS . 26309 1 55 55 PRO . 26309 1 56 56 LYS . 26309 1 57 57 ALA . 26309 1 58 58 ARG . 26309 1 59 59 GLN . 26309 1 60 60 PHE . 26309 1 61 61 PHE . 26309 1 62 62 LEU . 26309 1 63 63 PHE . 26309 1 64 64 ASN . 26309 1 65 65 ASP . 26309 1 66 66 ILE . 26309 1 67 67 LEU . 26309 1 68 68 VAL . 26309 1 69 69 TYR . 26309 1 70 70 GLY . 26309 1 71 71 ASN . 26309 1 72 72 ILE . 26309 1 73 73 VAL . 26309 1 74 74 ILE . 26309 1 75 75 GLN . 26309 1 76 76 LYS . 26309 1 77 77 LYS . 26309 1 78 78 LYS . 26309 1 79 79 TYR . 26309 1 80 80 ASN . 26309 1 81 81 LYS . 26309 1 82 82 GLN . 26309 1 83 83 HIS . 26309 1 84 84 ILE . 26309 1 85 85 ILE . 26309 1 86 86 PRO . 26309 1 87 87 LEU . 26309 1 88 88 GLU . 26309 1 89 89 ASN . 26309 1 90 90 VAL . 26309 1 91 91 THR . 26309 1 92 92 ILE . 26309 1 93 93 ASP . 26309 1 94 94 SER . 26309 1 95 95 ILE . 26309 1 96 96 LYS . 26309 1 97 97 ASP . 26309 1 98 98 GLU . 26309 1 99 99 GLY . 26309 1 100 100 ASP . 26309 1 101 101 LEU . 26309 1 102 102 ARG . 26309 1 103 103 ASN . 26309 1 104 104 GLY . 26309 1 105 105 TRP . 26309 1 106 106 LEU . 26309 1 107 107 ILE . 26309 1 108 108 LYS . 26309 1 109 109 THR . 26309 1 110 110 PRO . 26309 1 111 111 THR . 26309 1 112 112 LYS . 26309 1 113 113 SER . 26309 1 114 114 PHE . 26309 1 115 115 ALA . 26309 1 116 116 VAL . 26309 1 117 117 TYR . 26309 1 118 118 ALA . 26309 1 119 119 ALA . 26309 1 120 120 THR . 26309 1 121 121 ALA . 26309 1 122 122 THR . 26309 1 123 123 GLU . 26309 1 124 124 LYS . 26309 1 125 125 SER . 26309 1 126 126 GLU . 26309 1 127 127 TRP . 26309 1 128 128 MET . 26309 1 129 129 ASN . 26309 1 130 130 HIS . 26309 1 131 131 ILE . 26309 1 132 132 ASN . 26309 1 133 133 LYS . 26309 1 134 134 CYS . 26309 1 135 135 VAL . 26309 1 136 136 THR . 26309 1 137 137 ASP . 26309 1 138 138 LEU . 26309 1 139 139 LEU . 26309 1 140 140 SER . 26309 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 26309 1 . PRO 2 2 26309 1 . LEU 3 3 26309 1 . GLY 4 4 26309 1 . SER 5 5 26309 1 . MET 6 6 26309 1 . VAL 7 7 26309 1 . ASP 8 8 26309 1 . ARG 9 9 26309 1 . LEU 10 10 26309 1 . ALA 11 11 26309 1 . ASN 12 12 26309 1 . SER 13 13 26309 1 . GLU 14 14 26309 1 . ALA 15 15 26309 1 . ASN 16 16 26309 1 . THR 17 17 26309 1 . ARG 18 18 26309 1 . ARG 19 19 26309 1 . ILE 20 20 26309 1 . SER 21 21 26309 1 . ILE 22 22 26309 1 . VAL 23 23 26309 1 . GLU 24 24 26309 1 . ASN 25 25 26309 1 . CYS 26 26 26309 1 . PHE 27 27 26309 1 . GLY 28 28 26309 1 . ALA 29 29 26309 1 . ALA 30 30 26309 1 . GLY 31 31 26309 1 . GLN 32 32 26309 1 . PRO 33 33 26309 1 . LEU 34 34 26309 1 . THR 35 35 26309 1 . ILE 36 36 26309 1 . PRO 37 37 26309 1 . GLY 38 38 26309 1 . ARG 39 39 26309 1 . VAL 40 40 26309 1 . LEU 41 41 26309 1 . ILE 42 42 26309 1 . GLY 43 43 26309 1 . GLU 44 44 26309 1 . GLY 45 45 26309 1 . VAL 46 46 26309 1 . LEU 47 47 26309 1 . THR 48 48 26309 1 . LYS 49 49 26309 1 . LEU 50 50 26309 1 . CYS 51 51 26309 1 . ARG 52 52 26309 1 . LYS 53 53 26309 1 . LYS 54 54 26309 1 . PRO 55 55 26309 1 . LYS 56 56 26309 1 . ALA 57 57 26309 1 . ARG 58 58 26309 1 . GLN 59 59 26309 1 . PHE 60 60 26309 1 . PHE 61 61 26309 1 . LEU 62 62 26309 1 . PHE 63 63 26309 1 . ASN 64 64 26309 1 . ASP 65 65 26309 1 . ILE 66 66 26309 1 . LEU 67 67 26309 1 . VAL 68 68 26309 1 . TYR 69 69 26309 1 . GLY 70 70 26309 1 . ASN 71 71 26309 1 . ILE 72 72 26309 1 . VAL 73 73 26309 1 . ILE 74 74 26309 1 . GLN 75 75 26309 1 . LYS 76 76 26309 1 . LYS 77 77 26309 1 . LYS 78 78 26309 1 . TYR 79 79 26309 1 . ASN 80 80 26309 1 . LYS 81 81 26309 1 . GLN 82 82 26309 1 . HIS 83 83 26309 1 . ILE 84 84 26309 1 . ILE 85 85 26309 1 . PRO 86 86 26309 1 . LEU 87 87 26309 1 . GLU 88 88 26309 1 . ASN 89 89 26309 1 . VAL 90 90 26309 1 . THR 91 91 26309 1 . ILE 92 92 26309 1 . ASP 93 93 26309 1 . SER 94 94 26309 1 . ILE 95 95 26309 1 . LYS 96 96 26309 1 . ASP 97 97 26309 1 . GLU 98 98 26309 1 . GLY 99 99 26309 1 . ASP 100 100 26309 1 . LEU 101 101 26309 1 . ARG 102 102 26309 1 . ASN 103 103 26309 1 . GLY 104 104 26309 1 . TRP 105 105 26309 1 . LEU 106 106 26309 1 . ILE 107 107 26309 1 . LYS 108 108 26309 1 . THR 109 109 26309 1 . PRO 110 110 26309 1 . THR 111 111 26309 1 . LYS 112 112 26309 1 . SER 113 113 26309 1 . PHE 114 114 26309 1 . ALA 115 115 26309 1 . VAL 116 116 26309 1 . TYR 117 117 26309 1 . ALA 118 118 26309 1 . ALA 119 119 26309 1 . THR 120 120 26309 1 . ALA 121 121 26309 1 . THR 122 122 26309 1 . GLU 123 123 26309 1 . LYS 124 124 26309 1 . SER 125 125 26309 1 . GLU 126 126 26309 1 . TRP 127 127 26309 1 . MET 128 128 26309 1 . ASN 129 129 26309 1 . HIS 130 130 26309 1 . ILE 131 131 26309 1 . ASN 132 132 26309 1 . LYS 133 133 26309 1 . CYS 134 134 26309 1 . VAL 135 135 26309 1 . THR 136 136 26309 1 . ASP 137 137 26309 1 . LEU 138 138 26309 1 . LEU 139 139 26309 1 . SER 140 140 26309 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 26309 _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 . . . . . . . . . . . . . 26309 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 26309 _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' . . 562 Escherichia coli Rosetta . . plasmid . . pGEX6P1 . . . 26309 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26309 _Sample.ID 1 _Sample.Name 'Phafin2 PH domain' _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Buffer: 5 mM d4-citrate (pH 6.0), 100 mM NaCl, 5 mM d18-DTT, 1 mM NaN3, and 10% D2O' _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 'Human Phafin2 pleckstrin homology domain' '[U-100% 13C; U-100% 15N]' 1 $assembly_1 1 $entity_1 . protein 300 . . uM . . . . 26309 1 2 d4-citrate '[U-98% 2H]' . . . . . buffer 5 . . mM . . . . 26309 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 26309 1 4 DTT [U-2H] . . . . . . 5 . . mM . . . . 26309 1 5 'sodium acetate' [U-2H] . . . . . . 5 . . mM . . . . 26309 1 6 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 26309 1 7 D2O '[U-100% 2H]' . . . . . solvent 10 . . % . . . . 26309 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 26309 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'pH: 6.0; temperature 298 K' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 26309 1 pH 6.0 . pH 26309 1 pressure 1 . atm 26309 1 temperature 298 . K 26309 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 26309 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.2.7 _Software.DOI . _Software.Details Bruker loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 26309 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 26309 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version 10.9_rev2021.005.11.52 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data visualization' . 26309 2 processing . 26309 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 26309 _Software.ID 3 _Software.Type . _Software.Name SMILE _Software.Version 10.9_rev2021.005.11.52 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'reconstruction of non-uniformly sampled data' . 26309 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 26309 _Software.ID 4 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version Build_01-26-2021 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'visualization and analysis of data' . 26309 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 26309 _Software.ID 5 _Software.Type . _Software.Name NMRbox _Software.Version 7/1/21 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'provided all software used and server for software execution' . 26309 5 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 26309 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name Bruker _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength '800 MHz' 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 26309 _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 NHSQC' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26309 1 2 '3D HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26309 1 3 '3D CBCA(CO)NH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26309 1 4 '3D HNCACO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26309 1 5 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26309 1 stop_ save_ save_computing_platform_1 _Computing_platform.Sf_category computing_platform _Computing_platform.Sf_framecode computing_platform_1 _Computing_platform.Entry_ID 26309 _Computing_platform.ID 1 _Computing_platform.Name NMRbox _Computing_platform.Reference_ID . _Computing_platform.Site 'UConn Health and the University of Wisconsin' _Computing_platform.Site_reference_ID . _Computing_platform.Details . 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 26309 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name phafin2phshifts1NMRSTAR3.1b_21.str _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 water protons . . . . ppm 4.77 internal indirect . . . . . . 26309 1 H 1 water protons . . . . ppm 4.77 internal direct 1 . . . . . 26309 1 N 15 water protons . . . . ppm 4.77 internal indirect . . . . . . 26309 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 26309 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Phafin2 PH domain assignments' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D NHSQC' 1 $sample_1 isotropic 26309 1 2 '3D HNCACB' 1 $sample_1 isotropic 26309 1 3 '3D CBCA(CO)NH' 1 $sample_1 isotropic 26309 1 4 '3D HNCACO' 1 $sample_1 isotropic 26309 1 5 '3D HNCO' 1 $sample_1 isotropic 26309 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 2 $software_2 . . 26309 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 1 1 GLY H H 1 7.081 0.00 . 1 . . . . . 1 GLY H . 26309 1 2 . 1 . 1 1 1 GLY N N 15 120.939 0.00 . 1 . . . . . 1 GLY N . 26309 1 3 . 1 . 1 2 2 PRO C C 13 177.010 0.01 . 1 . . . . . 2 PRO C . 26309 1 4 . 1 . 1 2 2 PRO CA C 13 63.316 0.02 . 1 . . . . . 2 PRO CA . 26309 1 5 . 1 . 1 2 2 PRO CB C 13 32.292 0.02 . 1 . . . . . 2 PRO CB . 26309 1 6 . 1 . 1 3 3 LEU H H 1 8.520 0.00 . 1 . . . . . 3 LEU H . 26309 1 7 . 1 . 1 3 3 LEU C C 13 177.730 0.00 . 1 . . . . . 3 LEU C . 26309 1 8 . 1 . 1 3 3 LEU CA C 13 55.471 0.02 . 1 . . . . . 3 LEU CA . 26309 1 9 . 1 . 1 3 3 LEU CB C 13 42.008 0.03 . 1 . . . . . 3 LEU CB . 26309 1 10 . 1 . 1 3 3 LEU N N 15 122.163 0.02 . 1 . . . . . 3 LEU N . 26309 1 11 . 1 . 1 4 4 GLY H H 1 8.309 0.00 . 1 . . . . . 4 GLY H . 26309 1 12 . 1 . 1 4 4 GLY C C 13 174.204 0.00 . 1 . . . . . 4 GLY C . 26309 1 13 . 1 . 1 4 4 GLY CA C 13 45.390 0.03 . 1 . . . . . 4 GLY CA . 26309 1 14 . 1 . 1 4 4 GLY N N 15 109.469 0.02 . 1 . . . . . 4 GLY N . 26309 1 15 . 1 . 1 5 5 SER H H 1 8.270 0.00 . 1 . . . . . 5 SER H . 26309 1 16 . 1 . 1 5 5 SER C C 13 174.956 0.01 . 1 . . . . . 5 SER C . 26309 1 17 . 1 . 1 5 5 SER CA C 13 58.389 0.02 . 1 . . . . . 5 SER CA . 26309 1 18 . 1 . 1 5 5 SER CB C 13 64.028 0.01 . 1 . . . . . 5 SER CB . 26309 1 19 . 1 . 1 5 5 SER N N 15 115.511 0.01 . 1 . . . . . 5 SER N . 26309 1 20 . 1 . 1 6 6 MET H H 1 8.483 0.00 . 1 . . . . . 6 MET H . 26309 1 21 . 1 . 1 6 6 MET C C 13 176.617 0.00 . 1 . . . . . 6 MET C . 26309 1 22 . 1 . 1 6 6 MET CA C 13 56.282 0.01 . 1 . . . . . 6 MET CA . 26309 1 23 . 1 . 1 6 6 MET CB C 13 32.226 0.04 . 1 . . . . . 6 MET CB . 26309 1 24 . 1 . 1 6 6 MET N N 15 122.375 0.03 . 1 . . . . . 6 MET N . 26309 1 25 . 1 . 1 7 7 VAL H H 1 7.964 0.00 . 1 . . . . . 7 VAL H . 26309 1 26 . 1 . 1 7 7 VAL C C 13 176.145 0.01 . 1 . . . . . 7 VAL C . 26309 1 27 . 1 . 1 7 7 VAL CA C 13 63.367 0.01 . 1 . . . . . 7 VAL CA . 26309 1 28 . 1 . 1 7 7 VAL CB C 13 32.456 0.04 . 1 . . . . . 7 VAL CB . 26309 1 29 . 1 . 1 7 7 VAL N N 15 119.497 0.01 . 1 . . . . . 7 VAL N . 26309 1 30 . 1 . 1 8 8 ASP H H 1 8.169 0.00 . 1 . . . . . 8 ASP H . 26309 1 31 . 1 . 1 8 8 ASP C C 13 176.743 0.00 . 1 . . . . . 8 ASP C . 26309 1 32 . 1 . 1 8 8 ASP CA C 13 55.009 0.00 . 1 . . . . . 8 ASP CA . 26309 1 33 . 1 . 1 8 8 ASP CB C 13 41.092 0.03 . 1 . . . . . 8 ASP CB . 26309 1 34 . 1 . 1 8 8 ASP N N 15 122.683 0.02 . 1 . . . . . 8 ASP N . 26309 1 35 . 1 . 1 9 9 ARG H H 1 8.148 0.00 . 1 . . . . . 9 ARG H . 26309 1 36 . 1 . 1 9 9 ARG C C 13 176.851 0.01 . 1 . . . . . 9 ARG C . 26309 1 37 . 1 . 1 9 9 ARG CA C 13 56.968 0.01 . 1 . . . . . 9 ARG CA . 26309 1 38 . 1 . 1 9 9 ARG CB C 13 30.313 0.02 . 1 . . . . . 9 ARG CB . 26309 1 39 . 1 . 1 9 9 ARG N N 15 120.941 0.06 . 1 . . . . . 9 ARG N . 26309 1 40 . 1 . 1 10 10 LEU H H 1 8.140 0.00 . 1 . . . . . 10 LEU H . 26309 1 41 . 1 . 1 10 10 LEU C C 13 177.884 0.00 . 1 . . . . . 10 LEU C . 26309 1 42 . 1 . 1 10 10 LEU CA C 13 55.546 0.02 . 1 . . . . . 10 LEU CA . 26309 1 43 . 1 . 1 10 10 LEU CB C 13 42.236 0.03 . 1 . . . . . 10 LEU CB . 26309 1 44 . 1 . 1 10 10 LEU N N 15 121.264 0.03 . 1 . . . . . 10 LEU N . 26309 1 45 . 1 . 1 11 11 ALA H H 1 8.174 0.00 . 1 . . . . . 11 ALA H . 26309 1 46 . 1 . 1 11 11 ALA C C 13 178.116 0.01 . 1 . . . . . 11 ALA C . 26309 1 47 . 1 . 1 11 11 ALA CA C 13 53.501 0.00 . 1 . . . . . 11 ALA CA . 26309 1 48 . 1 . 1 11 11 ALA CB C 13 18.802 0.02 . 1 . . . . . 11 ALA CB . 26309 1 49 . 1 . 1 11 11 ALA N N 15 123.615 0.03 . 1 . . . . . 11 ALA N . 26309 1 50 . 1 . 1 12 12 ASN H H 1 8.211 0.00 . 1 . . . . . 12 ASN H . 26309 1 51 . 1 . 1 12 12 ASN C C 13 175.642 0.01 . 1 . . . . . 12 ASN C . 26309 1 52 . 1 . 1 12 12 ASN CA C 13 53.545 0.00 . 1 . . . . . 12 ASN CA . 26309 1 53 . 1 . 1 12 12 ASN CB C 13 38.470 0.04 . 1 . . . . . 12 ASN CB . 26309 1 54 . 1 . 1 12 12 ASN N N 15 116.434 0.03 . 1 . . . . . 12 ASN N . 26309 1 55 . 1 . 1 13 13 SER H H 1 8.212 0.00 . 1 . . . . . 13 SER H . 26309 1 56 . 1 . 1 13 13 SER C C 13 175.887 0.02 . 1 . . . . . 13 SER C . 26309 1 57 . 1 . 1 13 13 SER CA C 13 59.503 0.01 . 1 . . . . . 13 SER CA . 26309 1 58 . 1 . 1 13 13 SER CB C 13 64.168 0.03 . 1 . . . . . 13 SER CB . 26309 1 59 . 1 . 1 13 13 SER N N 15 116.479 0.03 . 1 . . . . . 13 SER N . 26309 1 60 . 1 . 1 14 14 GLU H H 1 8.753 0.00 . 1 . . . . . 14 GLU H . 26309 1 61 . 1 . 1 14 14 GLU C C 13 178.403 0.01 . 1 . . . . . 14 GLU C . 26309 1 62 . 1 . 1 14 14 GLU CA C 13 59.306 0.02 . 1 . . . . . 14 GLU CA . 26309 1 63 . 1 . 1 14 14 GLU CB C 13 29.208 0.01 . 1 . . . . . 14 GLU CB . 26309 1 64 . 1 . 1 14 14 GLU N N 15 124.206 0.03 . 1 . . . . . 14 GLU N . 26309 1 65 . 1 . 1 15 15 ALA H H 1 8.311 0.00 . 1 . . . . . 15 ALA H . 26309 1 66 . 1 . 1 15 15 ALA C C 13 179.999 0.00 . 1 . . . . . 15 ALA C . 26309 1 67 . 1 . 1 15 15 ALA CA C 13 54.989 0.01 . 1 . . . . . 15 ALA CA . 26309 1 68 . 1 . 1 15 15 ALA CB C 13 18.312 0.01 . 1 . . . . . 15 ALA CB . 26309 1 69 . 1 . 1 15 15 ALA N N 15 121.541 0.03 . 1 . . . . . 15 ALA N . 26309 1 70 . 1 . 1 16 16 ASN H H 1 8.006 0.00 . 1 . . . . . 16 ASN H . 26309 1 71 . 1 . 1 16 16 ASN C C 13 176.515 0.00 . 1 . . . . . 16 ASN C . 26309 1 72 . 1 . 1 16 16 ASN CA C 13 57.195 0.06 . 1 . . . . . 16 ASN CA . 26309 1 73 . 1 . 1 16 16 ASN CB C 13 39.831 0.04 . 1 . . . . . 16 ASN CB . 26309 1 74 . 1 . 1 16 16 ASN N N 15 116.846 0.03 . 1 . . . . . 16 ASN N . 26309 1 75 . 1 . 1 17 17 THR H H 1 8.319 0.00 . 1 . . . . . 17 THR H . 26309 1 76 . 1 . 1 17 17 THR C C 13 176.897 0.00 . 1 . . . . . 17 THR C . 26309 1 77 . 1 . 1 17 17 THR CA C 13 66.659 0.01 . 1 . . . . . 17 THR CA . 26309 1 78 . 1 . 1 17 17 THR CB C 13 68.718 0.01 . 1 . . . . . 17 THR CB . 26309 1 79 . 1 . 1 17 17 THR N N 15 115.598 0.03 . 1 . . . . . 17 THR N . 26309 1 80 . 1 . 1 18 18 ARG H H 1 8.275 0.00 . 1 . . . . . 18 ARG H . 26309 1 81 . 1 . 1 18 18 ARG C C 13 178.780 0.00 . 1 . . . . . 18 ARG C . 26309 1 82 . 1 . 1 18 18 ARG CA C 13 59.394 0.03 . 1 . . . . . 18 ARG CA . 26309 1 83 . 1 . 1 18 18 ARG CB C 13 29.820 0.02 . 1 . . . . . 18 ARG CB . 26309 1 84 . 1 . 1 18 18 ARG N N 15 122.039 0.01 . 1 . . . . . 18 ARG N . 26309 1 85 . 1 . 1 19 19 ARG H H 1 8.018 0.00 . 1 . . . . . 19 ARG H . 26309 1 86 . 1 . 1 19 19 ARG C C 13 179.394 0.01 . 1 . . . . . 19 ARG C . 26309 1 87 . 1 . 1 19 19 ARG CA C 13 59.906 0.00 . 1 . . . . . 19 ARG CA . 26309 1 88 . 1 . 1 19 19 ARG CB C 13 30.516 0.03 . 1 . . . . . 19 ARG CB . 26309 1 89 . 1 . 1 19 19 ARG N N 15 118.269 0.02 . 1 . . . . . 19 ARG N . 26309 1 90 . 1 . 1 20 20 ILE H H 1 8.202 0.00 . 1 . . . . . 20 ILE H . 26309 1 91 . 1 . 1 20 20 ILE C C 13 177.520 0.00 . 1 . . . . . 20 ILE C . 26309 1 92 . 1 . 1 20 20 ILE CA C 13 66.966 0.02 . 1 . . . . . 20 ILE CA . 26309 1 93 . 1 . 1 20 20 ILE CB C 13 37.283 0.05 . 1 . . . . . 20 ILE CB . 26309 1 94 . 1 . 1 20 20 ILE N N 15 118.947 0.06 . 1 . . . . . 20 ILE N . 26309 1 95 . 1 . 1 21 21 SER H H 1 8.235 0.00 . 1 . . . . . 21 SER H . 26309 1 96 . 1 . 1 21 21 SER C C 13 176.805 0.00 . 1 . . . . . 21 SER C . 26309 1 97 . 1 . 1 21 21 SER CA C 13 61.853 0.03 . 1 . . . . . 21 SER CA . 26309 1 98 . 1 . 1 21 21 SER CB C 13 62.793 0.01 . 1 . . . . . 21 SER CB . 26309 1 99 . 1 . 1 21 21 SER N N 15 116.773 0.01 . 1 . . . . . 21 SER N . 26309 1 100 . 1 . 1 22 22 ILE H H 1 7.720 0.00 . 1 . . . . . 22 ILE H . 26309 1 101 . 1 . 1 22 22 ILE C C 13 178.596 0.01 . 1 . . . . . 22 ILE C . 26309 1 102 . 1 . 1 22 22 ILE CA C 13 65.253 0.01 . 1 . . . . . 22 ILE CA . 26309 1 103 . 1 . 1 22 22 ILE CB C 13 37.926 0.06 . 1 . . . . . 22 ILE CB . 26309 1 104 . 1 . 1 22 22 ILE N N 15 122.187 0.01 . 1 . . . . . 22 ILE N . 26309 1 105 . 1 . 1 23 23 VAL H H 1 7.364 0.00 . 1 . . . . . 23 VAL H . 26309 1 106 . 1 . 1 23 23 VAL C C 13 178.753 0.01 . 1 . . . . . 23 VAL C . 26309 1 107 . 1 . 1 23 23 VAL CA C 13 67.912 0.08 . 1 . . . . . 23 VAL CA . 26309 1 108 . 1 . 1 23 23 VAL CB C 13 30.963 0.06 . 1 . . . . . 23 VAL CB . 26309 1 109 . 1 . 1 23 23 VAL N N 15 121.544 0.03 . 1 . . . . . 23 VAL N . 26309 1 110 . 1 . 1 24 24 GLU H H 1 8.434 0.00 . 1 . . . . . 24 GLU H . 26309 1 111 . 1 . 1 24 24 GLU C C 13 181.350 0.01 . 1 . . . . . 24 GLU C . 26309 1 112 . 1 . 1 24 24 GLU CA C 13 59.385 0.01 . 1 . . . . . 24 GLU CA . 26309 1 113 . 1 . 1 24 24 GLU CB C 13 30.108 0.05 . 1 . . . . . 24 GLU CB . 26309 1 114 . 1 . 1 24 24 GLU N N 15 117.217 0.02 . 1 . . . . . 24 GLU N . 26309 1 115 . 1 . 1 25 25 ASN H H 1 8.748 0.00 . 1 . . . . . 25 ASN H . 26309 1 116 . 1 . 1 25 25 ASN C C 13 177.815 0.01 . 1 . . . . . 25 ASN C . 26309 1 117 . 1 . 1 25 25 ASN CA C 13 56.307 0.04 . 1 . . . . . 25 ASN CA . 26309 1 118 . 1 . 1 25 25 ASN CB C 13 38.458 0.07 . 1 . . . . . 25 ASN CB . 26309 1 119 . 1 . 1 25 25 ASN N N 15 120.121 0.02 . 1 . . . . . 25 ASN N . 26309 1 120 . 1 . 1 26 26 CYS H H 1 8.224 0.00 . 1 . . . . . 26 CYS H . 26309 1 121 . 1 . 1 26 26 CYS C C 13 177.151 0.01 . 1 . . . . . 26 CYS C . 26309 1 122 . 1 . 1 26 26 CYS CA C 13 62.766 0.02 . 1 . . . . . 26 CYS CA . 26309 1 123 . 1 . 1 26 26 CYS CB C 13 28.678 0.01 . 1 . . . . . 26 CYS CB . 26309 1 124 . 1 . 1 26 26 CYS N N 15 118.098 0.04 . 1 . . . . . 26 CYS N . 26309 1 125 . 1 . 1 27 27 PHE H H 1 7.636 0.00 . 1 . . . . . 27 PHE H . 26309 1 126 . 1 . 1 27 27 PHE C C 13 177.424 0.02 . 1 . . . . . 27 PHE C . 26309 1 127 . 1 . 1 27 27 PHE CA C 13 59.791 0.03 . 1 . . . . . 27 PHE CA . 26309 1 128 . 1 . 1 27 27 PHE CB C 13 40.656 0.11 . 1 . . . . . 27 PHE CB . 26309 1 129 . 1 . 1 27 27 PHE N N 15 116.497 0.03 . 1 . . . . . 27 PHE N . 26309 1 130 . 1 . 1 28 28 GLY H H 1 8.115 0.00 . 1 . . . . . 28 GLY H . 26309 1 131 . 1 . 1 28 28 GLY C C 13 175.734 0.00 . 1 . . . . . 28 GLY C . 26309 1 132 . 1 . 1 28 28 GLY CA C 13 46.456 0.00 . 1 . . . . . 28 GLY CA . 26309 1 133 . 1 . 1 28 28 GLY N N 15 108.324 0.07 . 1 . . . . . 28 GLY N . 26309 1 134 . 1 . 1 29 29 ALA C C 13 177.531 0.01 . 1 . . . . . 29 ALA C . 26309 1 135 . 1 . 1 29 29 ALA CA C 13 53.815 0.03 . 1 . . . . . 29 ALA CA . 26309 1 136 . 1 . 1 29 29 ALA CB C 13 18.162 0.00 . 1 . . . . . 29 ALA CB . 26309 1 137 . 1 . 1 30 30 ALA H H 1 8.156 0.00 . 1 . . . . . 30 ALA H . 26309 1 138 . 1 . 1 30 30 ALA C C 13 177.304 0.01 . 1 . . . . . 30 ALA C . 26309 1 139 . 1 . 1 30 30 ALA CA C 13 52.166 0.00 . 1 . . . . . 30 ALA CA . 26309 1 140 . 1 . 1 30 30 ALA CB C 13 19.206 0.01 . 1 . . . . . 30 ALA CB . 26309 1 141 . 1 . 1 30 30 ALA N N 15 118.737 0.04 . 1 . . . . . 30 ALA N . 26309 1 142 . 1 . 1 31 31 GLY H H 1 7.622 0.00 . 1 . . . . . 31 GLY H . 26309 1 143 . 1 . 1 31 31 GLY C C 13 171.560 0.01 . 1 . . . . . 31 GLY C . 26309 1 144 . 1 . 1 31 31 GLY CA C 13 43.198 0.01 . 1 . . . . . 31 GLY CA . 26309 1 145 . 1 . 1 31 31 GLY N N 15 105.457 0.04 . 1 . . . . . 31 GLY N . 26309 1 146 . 1 . 1 32 32 GLN H H 1 7.843 0.00 . 1 . . . . . 32 GLN H . 26309 1 147 . 1 . 1 32 32 GLN C C 13 173.030 0.00 . 1 . . . . . 32 GLN C . 26309 1 148 . 1 . 1 32 32 GLN CA C 13 52.605 0.00 . 1 . . . . . 32 GLN CA . 26309 1 149 . 1 . 1 32 32 GLN CB C 13 30.233 0.00 . 1 . . . . . 32 GLN CB . 26309 1 150 . 1 . 1 32 32 GLN N N 15 118.590 0.02 . 1 . . . . . 32 GLN N . 26309 1 151 . 1 . 1 33 33 PRO C C 13 176.954 0.00 . 1 . . . . . 33 PRO C . 26309 1 152 . 1 . 1 33 33 PRO CA C 13 64.228 0.00 . 1 . . . . . 33 PRO CA . 26309 1 153 . 1 . 1 33 33 PRO CB C 13 31.636 0.00 . 1 . . . . . 33 PRO CB . 26309 1 154 . 1 . 1 34 34 LEU H H 1 9.425 0.01 . 1 . . . . . 34 LEU H . 26309 1 155 . 1 . 1 34 34 LEU C C 13 177.492 0.01 . 1 . . . . . 34 LEU C . 26309 1 156 . 1 . 1 34 34 LEU CA C 13 53.877 0.00 . 1 . . . . . 34 LEU CA . 26309 1 157 . 1 . 1 34 34 LEU CB C 13 45.310 0.00 . 1 . . . . . 34 LEU CB . 26309 1 158 . 1 . 1 34 34 LEU N N 15 122.455 0.03 . 1 . . . . . 34 LEU N . 26309 1 159 . 1 . 1 35 35 THR H H 1 7.644 0.00 . 1 . . . . . 35 THR H . 26309 1 160 . 1 . 1 35 35 THR C C 13 173.821 0.00 . 1 . . . . . 35 THR C . 26309 1 161 . 1 . 1 35 35 THR CA C 13 63.917 0.02 . 1 . . . . . 35 THR CA . 26309 1 162 . 1 . 1 35 35 THR CB C 13 68.045 0.02 . 1 . . . . . 35 THR CB . 26309 1 163 . 1 . 1 35 35 THR N N 15 116.437 0.05 . 1 . . . . . 35 THR N . 26309 1 164 . 1 . 1 36 36 ILE H H 1 7.009 0.00 . 1 . . . . . 36 ILE H . 26309 1 165 . 1 . 1 36 36 ILE C C 13 173.605 0.00 . 1 . . . . . 36 ILE C . 26309 1 166 . 1 . 1 36 36 ILE CA C 13 58.158 0.00 . 1 . . . . . 36 ILE CA . 26309 1 167 . 1 . 1 36 36 ILE CB C 13 40.050 0.00 . 1 . . . . . 36 ILE CB . 26309 1 168 . 1 . 1 36 36 ILE N N 15 122.953 0.03 . 1 . . . . . 36 ILE N . 26309 1 169 . 1 . 1 37 37 PRO C C 13 177.667 0.00 . 1 . . . . . 37 PRO C . 26309 1 170 . 1 . 1 37 37 PRO CA C 13 64.332 0.02 . 1 . . . . . 37 PRO CA . 26309 1 171 . 1 . 1 37 37 PRO CB C 13 31.409 0.02 . 1 . . . . . 37 PRO CB . 26309 1 172 . 1 . 1 38 38 GLY H H 1 8.777 0.00 . 1 . . . . . 38 GLY H . 26309 1 173 . 1 . 1 38 38 GLY C C 13 173.281 0.01 . 1 . . . . . 38 GLY C . 26309 1 174 . 1 . 1 38 38 GLY CA C 13 45.421 0.02 . 1 . . . . . 38 GLY CA . 26309 1 175 . 1 . 1 38 38 GLY N N 15 112.553 0.03 . 1 . . . . . 38 GLY N . 26309 1 176 . 1 . 1 39 39 ARG H H 1 7.385 0.00 . 1 . . . . . 39 ARG H . 26309 1 177 . 1 . 1 39 39 ARG C C 13 176.119 0.02 . 1 . . . . . 39 ARG C . 26309 1 178 . 1 . 1 39 39 ARG CA C 13 56.210 0.00 . 1 . . . . . 39 ARG CA . 26309 1 179 . 1 . 1 39 39 ARG CB C 13 31.121 0.07 . 1 . . . . . 39 ARG CB . 26309 1 180 . 1 . 1 39 39 ARG N N 15 121.168 0.02 . 1 . . . . . 39 ARG N . 26309 1 181 . 1 . 1 40 40 VAL H H 1 8.799 0.00 . 1 . . . . . 40 VAL H . 26309 1 182 . 1 . 1 40 40 VAL C C 13 174.706 0.02 . 1 . . . . . 40 VAL C . 26309 1 183 . 1 . 1 40 40 VAL CA C 13 60.333 0.01 . 1 . . . . . 40 VAL CA . 26309 1 184 . 1 . 1 40 40 VAL CB C 13 36.286 0.09 . 1 . . . . . 40 VAL CB . 26309 1 185 . 1 . 1 40 40 VAL N N 15 125.745 0.03 . 1 . . . . . 40 VAL N . 26309 1 186 . 1 . 1 41 41 LEU H H 1 8.196 0.00 . 1 . . . . . 41 LEU H . 26309 1 187 . 1 . 1 41 41 LEU C C 13 175.170 0.03 . 1 . . . . . 41 LEU C . 26309 1 188 . 1 . 1 41 41 LEU CA C 13 55.206 0.01 . 1 . . . . . 41 LEU CA . 26309 1 189 . 1 . 1 41 41 LEU CB C 13 42.173 0.05 . 1 . . . . . 41 LEU CB . 26309 1 190 . 1 . 1 41 41 LEU N N 15 125.679 0.05 . 1 . . . . . 41 LEU N . 26309 1 191 . 1 . 1 42 42 ILE H H 1 9.385 0.00 . 1 . . . . . 42 ILE H . 26309 1 192 . 1 . 1 42 42 ILE C C 13 176.214 0.00 . 1 . . . . . 42 ILE C . 26309 1 193 . 1 . 1 42 42 ILE CA C 13 61.567 0.01 . 1 . . . . . 42 ILE CA . 26309 1 194 . 1 . 1 42 42 ILE CB C 13 37.853 0.03 . 1 . . . . . 42 ILE CB . 26309 1 195 . 1 . 1 42 42 ILE N N 15 130.614 0.07 . 1 . . . . . 42 ILE N . 26309 1 196 . 1 . 1 43 43 GLY H H 1 7.727 0.00 . 1 . . . . . 43 GLY H . 26309 1 197 . 1 . 1 43 43 GLY C C 13 169.956 0.01 . 1 . . . . . 43 GLY C . 26309 1 198 . 1 . 1 43 43 GLY CA C 13 45.409 0.02 . 1 . . . . . 43 GLY CA . 26309 1 199 . 1 . 1 43 43 GLY N N 15 104.313 0.02 . 1 . . . . . 43 GLY N . 26309 1 200 . 1 . 1 44 44 GLU H H 1 8.241 0.00 . 1 . . . . . 44 GLU H . 26309 1 201 . 1 . 1 44 44 GLU C C 13 174.389 0.02 . 1 . . . . . 44 GLU C . 26309 1 202 . 1 . 1 44 44 GLU CA C 13 54.084 0.09 . 1 . . . . . 44 GLU CA . 26309 1 203 . 1 . 1 44 44 GLU CB C 13 34.611 0.07 . 1 . . . . . 44 GLU CB . 26309 1 204 . 1 . 1 44 44 GLU N N 15 115.835 0.02 . 1 . . . . . 44 GLU N . 26309 1 205 . 1 . 1 45 45 GLY H H 1 8.662 0.00 . 1 . . . . . 45 GLY H . 26309 1 206 . 1 . 1 45 45 GLY C C 13 170.435 0.00 . 1 . . . . . 45 GLY C . 26309 1 207 . 1 . 1 45 45 GLY CA C 13 45.759 0.01 . 1 . . . . . 45 GLY CA . 26309 1 208 . 1 . 1 45 45 GLY N N 15 107.045 0.03 . 1 . . . . . 45 GLY N . 26309 1 209 . 1 . 1 46 46 VAL H H 1 8.575 0.01 . 1 . . . . . 46 VAL H . 26309 1 210 . 1 . 1 46 46 VAL C C 13 176.593 0.00 . 1 . . . . . 46 VAL C . 26309 1 211 . 1 . 1 46 46 VAL CA C 13 61.983 0.02 . 1 . . . . . 46 VAL CA . 26309 1 212 . 1 . 1 46 46 VAL CB C 13 32.766 0.02 . 1 . . . . . 46 VAL CB . 26309 1 213 . 1 . 1 46 46 VAL N N 15 121.392 0.02 . 1 . . . . . 46 VAL N . 26309 1 214 . 1 . 1 47 47 LEU H H 1 8.771 0.00 . 1 . . . . . 47 LEU H . 26309 1 215 . 1 . 1 47 47 LEU C C 13 175.565 0.01 . 1 . . . . . 47 LEU C . 26309 1 216 . 1 . 1 47 47 LEU CA C 13 53.169 0.03 . 1 . . . . . 47 LEU CA . 26309 1 217 . 1 . 1 47 47 LEU CB C 13 45.626 0.01 . 1 . . . . . 47 LEU CB . 26309 1 218 . 1 . 1 47 47 LEU N N 15 126.577 0.06 . 1 . . . . . 47 LEU N . 26309 1 219 . 1 . 1 48 48 THR H H 1 8.418 0.00 . 1 . . . . . 48 THR H . 26309 1 220 . 1 . 1 48 48 THR C C 13 172.900 0.00 . 1 . . . . . 48 THR C . 26309 1 221 . 1 . 1 48 48 THR CA C 13 62.672 0.05 . 1 . . . . . 48 THR CA . 26309 1 222 . 1 . 1 48 48 THR CB C 13 69.259 0.04 . 1 . . . . . 48 THR CB . 26309 1 223 . 1 . 1 48 48 THR N N 15 117.058 0.04 . 1 . . . . . 48 THR N . 26309 1 224 . 1 . 1 49 49 LYS H H 1 9.022 0.00 . 1 . . . . . 49 LYS H . 26309 1 225 . 1 . 1 49 49 LYS C C 13 175.977 0.01 . 1 . . . . . 49 LYS C . 26309 1 226 . 1 . 1 49 49 LYS CA C 13 54.166 0.04 . 1 . . . . . 49 LYS CA . 26309 1 227 . 1 . 1 49 49 LYS CB C 13 37.081 0.03 . 1 . . . . . 49 LYS CB . 26309 1 228 . 1 . 1 49 49 LYS N N 15 127.379 0.05 . 1 . . . . . 49 LYS N . 26309 1 229 . 1 . 1 50 50 LEU H H 1 8.893 0.00 . 1 . . . . . 50 LEU H . 26309 1 230 . 1 . 1 50 50 LEU C C 13 176.773 0.02 . 1 . . . . . 50 LEU C . 26309 1 231 . 1 . 1 50 50 LEU CA C 13 55.670 0.03 . 1 . . . . . 50 LEU CA . 26309 1 232 . 1 . 1 50 50 LEU CB C 13 41.509 0.05 . 1 . . . . . 50 LEU CB . 26309 1 233 . 1 . 1 50 50 LEU N N 15 127.694 0.03 . 1 . . . . . 50 LEU N . 26309 1 234 . 1 . 1 51 51 CYS H H 1 8.948 0.00 . 1 . . . . . 51 CYS H . 26309 1 235 . 1 . 1 51 51 CYS C C 13 175.023 0.32 . 1 . . . . . 51 CYS C . 26309 1 236 . 1 . 1 51 51 CYS CA C 13 57.996 0.00 . 1 . . . . . 51 CYS CA . 26309 1 237 . 1 . 1 51 51 CYS CB C 13 28.244 0.00 . 1 . . . . . 51 CYS CB . 26309 1 238 . 1 . 1 51 51 CYS N N 15 126.979 0.06 . 1 . . . . . 51 CYS N . 26309 1 239 . 1 . 1 52 52 ARG H H 1 7.787 0.00 . 1 . . . . . 52 ARG H . 26309 1 240 . 1 . 1 52 52 ARG C C 13 174.928 0.79 . 1 . . . . . 52 ARG C . 26309 1 241 . 1 . 1 52 52 ARG CA C 13 58.233 0.00 . 1 . . . . . 52 ARG CA . 26309 1 242 . 1 . 1 52 52 ARG CB C 13 27.755 0.04 . 1 . . . . . 52 ARG CB . 26309 1 243 . 1 . 1 52 52 ARG N N 15 120.415 0.02 . 1 . . . . . 52 ARG N . 26309 1 244 . 1 . 1 53 53 LYS H H 1 8.571 0.01 . 1 . . . . . 53 LYS H . 26309 1 245 . 1 . 1 53 53 LYS C C 13 175.372 0.01 . 1 . . . . . 53 LYS C . 26309 1 246 . 1 . 1 53 53 LYS CA C 13 58.231 0.00 . 1 . . . . . 53 LYS CA . 26309 1 247 . 1 . 1 53 53 LYS CB C 13 31.039 0.02 . 1 . . . . . 53 LYS CB . 26309 1 248 . 1 . 1 53 53 LYS N N 15 109.814 0.06 . 1 . . . . . 53 LYS N . 26309 1 249 . 1 . 1 54 54 LYS H H 1 7.757 0.00 . 1 . . . . . 54 LYS H . 26309 1 250 . 1 . 1 54 54 LYS C C 13 174.267 0.00 . 1 . . . . . 54 LYS C . 26309 1 251 . 1 . 1 54 54 LYS CA C 13 52.870 0.00 . 1 . . . . . 54 LYS CA . 26309 1 252 . 1 . 1 54 54 LYS CB C 13 33.797 0.00 . 1 . . . . . 54 LYS CB . 26309 1 253 . 1 . 1 54 54 LYS N N 15 120.224 0.05 . 1 . . . . . 54 LYS N . 26309 1 254 . 1 . 1 55 55 PRO C C 13 176.594 0.01 . 1 . . . . . 55 PRO C . 26309 1 255 . 1 . 1 55 55 PRO CA C 13 62.883 0.03 . 1 . . . . . 55 PRO CA . 26309 1 256 . 1 . 1 55 55 PRO CB C 13 31.753 0.07 . 1 . . . . . 55 PRO CB . 26309 1 257 . 1 . 1 56 56 LYS H H 1 8.615 0.00 . 1 . . . . . 56 LYS H . 26309 1 258 . 1 . 1 56 56 LYS C C 13 175.005 0.01 . 1 . . . . . 56 LYS C . 26309 1 259 . 1 . 1 56 56 LYS CA C 13 54.970 0.04 . 1 . . . . . 56 LYS CA . 26309 1 260 . 1 . 1 56 56 LYS CB C 13 36.609 0.07 . 1 . . . . . 56 LYS CB . 26309 1 261 . 1 . 1 56 56 LYS N N 15 124.666 0.06 . 1 . . . . . 56 LYS N . 26309 1 262 . 1 . 1 57 57 ALA H H 1 8.787 0.00 . 1 . . . . . 57 ALA H . 26309 1 263 . 1 . 1 57 57 ALA C C 13 178.306 0.02 . 1 . . . . . 57 ALA C . 26309 1 264 . 1 . 1 57 57 ALA CA C 13 52.912 0.03 . 1 . . . . . 57 ALA CA . 26309 1 265 . 1 . 1 57 57 ALA CB C 13 18.754 0.02 . 1 . . . . . 57 ALA CB . 26309 1 266 . 1 . 1 57 57 ALA N N 15 127.546 0.06 . 1 . . . . . 57 ALA N . 26309 1 267 . 1 . 1 58 58 ARG H H 1 9.332 0.00 . 1 . . . . . 58 ARG H . 26309 1 268 . 1 . 1 58 58 ARG C C 13 173.398 0.02 . 1 . . . . . 58 ARG C . 26309 1 269 . 1 . 1 58 58 ARG CA C 13 53.635 0.05 . 1 . . . . . 58 ARG CA . 26309 1 270 . 1 . 1 58 58 ARG CB C 13 34.223 0.01 . 1 . . . . . 58 ARG CB . 26309 1 271 . 1 . 1 58 58 ARG N N 15 123.711 0.07 . 1 . . . . . 58 ARG N . 26309 1 272 . 1 . 1 59 59 GLN H H 1 8.367 0.00 . 1 . . . . . 59 GLN H . 26309 1 273 . 1 . 1 59 59 GLN C C 13 174.282 0.02 . 1 . . . . . 59 GLN C . 26309 1 274 . 1 . 1 59 59 GLN CA C 13 54.954 0.03 . 1 . . . . . 59 GLN CA . 26309 1 275 . 1 . 1 59 59 GLN CB C 13 28.996 0.02 . 1 . . . . . 59 GLN CB . 26309 1 276 . 1 . 1 59 59 GLN N N 15 122.227 0.04 . 1 . . . . . 59 GLN N . 26309 1 277 . 1 . 1 60 60 PHE H H 1 9.136 0.00 . 1 . . . . . 60 PHE H . 26309 1 278 . 1 . 1 60 60 PHE C C 13 175.412 0.02 . 1 . . . . . 60 PHE C . 26309 1 279 . 1 . 1 60 60 PHE CA C 13 56.973 0.23 . 1 . . . . . 60 PHE CA . 26309 1 280 . 1 . 1 60 60 PHE CB C 13 43.955 0.07 . 1 . . . . . 60 PHE CB . 26309 1 281 . 1 . 1 60 60 PHE N N 15 125.959 0.05 . 1 . . . . . 60 PHE N . 26309 1 282 . 1 . 1 61 61 PHE H H 1 9.902 0.00 . 1 . . . . . 61 PHE H . 26309 1 283 . 1 . 1 61 61 PHE C C 13 173.716 0.05 . 1 . . . . . 61 PHE C . 26309 1 284 . 1 . 1 61 61 PHE CA C 13 57.495 0.00 . 1 . . . . . 61 PHE CA . 26309 1 285 . 1 . 1 61 61 PHE CB C 13 42.973 0.04 . 1 . . . . . 61 PHE CB . 26309 1 286 . 1 . 1 61 61 PHE N N 15 116.977 0.04 . 1 . . . . . 61 PHE N . 26309 1 287 . 1 . 1 62 62 LEU H H 1 9.305 0.00 . 1 . . . . . 62 LEU H . 26309 1 288 . 1 . 1 62 62 LEU C C 13 174.272 0.01 . 1 . . . . . 62 LEU C . 26309 1 289 . 1 . 1 62 62 LEU CA C 13 54.121 0.02 . 1 . . . . . 62 LEU CA . 26309 1 290 . 1 . 1 62 62 LEU CB C 13 44.240 0.05 . 1 . . . . . 62 LEU CB . 26309 1 291 . 1 . 1 62 62 LEU N N 15 125.466 0.03 . 1 . . . . . 62 LEU N . 26309 1 292 . 1 . 1 63 63 PHE H H 1 9.046 0.01 . 1 . . . . . 63 PHE H . 26309 1 293 . 1 . 1 63 63 PHE C C 13 172.544 0.01 . 1 . . . . . 63 PHE C . 26309 1 294 . 1 . 1 63 63 PHE CA C 13 55.940 0.03 . 1 . . . . . 63 PHE CA . 26309 1 295 . 1 . 1 63 63 PHE CB C 13 40.246 0.06 . 1 . . . . . 63 PHE CB . 26309 1 296 . 1 . 1 63 63 PHE N N 15 126.911 0.05 . 1 . . . . . 63 PHE N . 26309 1 297 . 1 . 1 64 64 ASN H H 1 9.230 0.00 . 1 . . . . . 64 ASN H . 26309 1 298 . 1 . 1 64 64 ASN C C 13 176.692 0.00 . 1 . . . . . 64 ASN C . 26309 1 299 . 1 . 1 64 64 ASN CA C 13 56.563 0.02 . 1 . . . . . 64 ASN CA . 26309 1 300 . 1 . 1 64 64 ASN CB C 13 36.526 0.05 . 1 . . . . . 64 ASN CB . 26309 1 301 . 1 . 1 64 64 ASN N N 15 112.301 0.04 . 1 . . . . . 64 ASN N . 26309 1 302 . 1 . 1 65 65 ASP H H 1 9.018 0.00 . 1 . . . . . 65 ASP H . 26309 1 303 . 1 . 1 65 65 ASP C C 13 176.377 0.00 . 1 . . . . . 65 ASP C . 26309 1 304 . 1 . 1 65 65 ASP CA C 13 53.773 0.09 . 1 . . . . . 65 ASP CA . 26309 1 305 . 1 . 1 65 65 ASP CB C 13 41.503 0.07 . 1 . . . . . 65 ASP CB . 26309 1 306 . 1 . 1 65 65 ASP N N 15 111.826 0.04 . 1 . . . . . 65 ASP N . 26309 1 307 . 1 . 1 66 66 ILE H H 1 7.079 0.00 . 1 . . . . . 66 ILE H . 26309 1 308 . 1 . 1 66 66 ILE C C 13 172.582 0.01 . 1 . . . . . 66 ILE C . 26309 1 309 . 1 . 1 66 66 ILE CA C 13 60.399 0.02 . 1 . . . . . 66 ILE CA . 26309 1 310 . 1 . 1 66 66 ILE CB C 13 44.232 0.04 . 1 . . . . . 66 ILE CB . 26309 1 311 . 1 . 1 66 66 ILE N N 15 115.206 0.04 . 1 . . . . . 66 ILE N . 26309 1 312 . 1 . 1 67 67 LEU H H 1 9.098 0.00 . 1 . . . . . 67 LEU H . 26309 1 313 . 1 . 1 67 67 LEU C C 13 174.510 0.02 . 1 . . . . . 67 LEU C . 26309 1 314 . 1 . 1 67 67 LEU CA C 13 53.823 0.03 . 1 . . . . . 67 LEU CA . 26309 1 315 . 1 . 1 67 67 LEU CB C 13 46.490 0.02 . 1 . . . . . 67 LEU CB . 26309 1 316 . 1 . 1 67 67 LEU N N 15 123.312 0.05 . 1 . . . . . 67 LEU N . 26309 1 317 . 1 . 1 68 68 VAL H H 1 9.607 0.00 . 1 . . . . . 68 VAL H . 26309 1 318 . 1 . 1 68 68 VAL C C 13 174.654 0.01 . 1 . . . . . 68 VAL C . 26309 1 319 . 1 . 1 68 68 VAL CA C 13 59.934 0.02 . 1 . . . . . 68 VAL CA . 26309 1 320 . 1 . 1 68 68 VAL CB C 13 35.901 0.09 . 1 . . . . . 68 VAL CB . 26309 1 321 . 1 . 1 68 68 VAL N N 15 126.587 0.07 . 1 . . . . . 68 VAL N . 26309 1 322 . 1 . 1 69 69 TYR H H 1 8.765 0.01 . 1 . . . . . 69 TYR H . 26309 1 323 . 1 . 1 69 69 TYR C C 13 174.123 0.01 . 1 . . . . . 69 TYR C . 26309 1 324 . 1 . 1 69 69 TYR CA C 13 55.371 0.06 . 1 . . . . . 69 TYR CA . 26309 1 325 . 1 . 1 69 69 TYR CB C 13 40.325 0.06 . 1 . . . . . 69 TYR CB . 26309 1 326 . 1 . 1 69 69 TYR N N 15 121.352 0.06 . 1 . . . . . 69 TYR N . 26309 1 327 . 1 . 1 70 70 GLY H H 1 8.591 0.00 . 1 . . . . . 70 GLY H . 26309 1 328 . 1 . 1 70 70 GLY C C 13 172.213 0.02 . 1 . . . . . 70 GLY C . 26309 1 329 . 1 . 1 70 70 GLY CA C 13 45.406 0.05 . 1 . . . . . 70 GLY CA . 26309 1 330 . 1 . 1 70 70 GLY N N 15 103.353 0.03 . 1 . . . . . 70 GLY N . 26309 1 331 . 1 . 1 71 71 ASN H H 1 8.794 0.00 . 1 . . . . . 71 ASN H . 26309 1 332 . 1 . 1 71 71 ASN C C 13 174.815 0.02 . 1 . . . . . 71 ASN C . 26309 1 333 . 1 . 1 71 71 ASN CA C 13 53.029 0.00 . 1 . . . . . 71 ASN CA . 26309 1 334 . 1 . 1 71 71 ASN CB C 13 38.871 0.01 . 1 . . . . . 71 ASN CB . 26309 1 335 . 1 . 1 71 71 ASN N N 15 120.028 0.05 . 1 . . . . . 71 ASN N . 26309 1 336 . 1 . 1 72 72 ILE H H 1 8.974 0.00 . 1 . . . . . 72 ILE H . 26309 1 337 . 1 . 1 72 72 ILE C C 13 175.229 0.00 . 1 . . . . . 72 ILE C . 26309 1 338 . 1 . 1 72 72 ILE CA C 13 63.198 0.00 . 1 . . . . . 72 ILE CA . 26309 1 339 . 1 . 1 72 72 ILE CB C 13 38.792 0.21 . 1 . . . . . 72 ILE CB . 26309 1 340 . 1 . 1 72 72 ILE N N 15 123.156 0.08 . 1 . . . . . 72 ILE N . 26309 1 341 . 1 . 1 73 73 VAL H H 1 8.385 0.00 . 1 . . . . . 73 VAL H . 26309 1 342 . 1 . 1 73 73 VAL C C 13 176.868 0.05 . 1 . . . . . 73 VAL C . 26309 1 343 . 1 . 1 73 73 VAL CA C 13 64.683 0.06 . 1 . . . . . 73 VAL CA . 26309 1 344 . 1 . 1 73 73 VAL CB C 13 31.847 0.00 . 1 . . . . . 73 VAL CB . 26309 1 345 . 1 . 1 73 73 VAL N N 15 130.872 0.07 . 1 . . . . . 73 VAL N . 26309 1 346 . 1 . 1 74 74 ILE H H 1 8.099 0.00 . 1 . . . . . 74 ILE H . 26309 1 347 . 1 . 1 74 74 ILE C C 13 175.790 0.01 . 1 . . . . . 74 ILE C . 26309 1 348 . 1 . 1 74 74 ILE CA C 13 60.802 0.04 . 1 . . . . . 74 ILE CA . 26309 1 349 . 1 . 1 74 74 ILE CB C 13 41.374 0.01 . 1 . . . . . 74 ILE CB . 26309 1 350 . 1 . 1 74 74 ILE N N 15 117.578 0.08 . 1 . . . . . 74 ILE N . 26309 1 351 . 1 . 1 75 75 GLN H H 1 9.103 0.00 . 1 . . . . . 75 GLN H . 26309 1 352 . 1 . 1 75 75 GLN C C 13 175.644 0.01 . 1 . . . . . 75 GLN C . 26309 1 353 . 1 . 1 75 75 GLN CA C 13 58.480 0.07 . 1 . . . . . 75 GLN CA . 26309 1 354 . 1 . 1 75 75 GLN CB C 13 28.199 0.05 . 1 . . . . . 75 GLN CB . 26309 1 355 . 1 . 1 75 75 GLN N N 15 129.648 0.05 . 1 . . . . . 75 GLN N . 26309 1 356 . 1 . 1 76 76 LYS H H 1 8.856 0.00 . 1 . . . . . 76 LYS H . 26309 1 357 . 1 . 1 76 76 LYS C C 13 175.709 0.03 . 1 . . . . . 76 LYS C . 26309 1 358 . 1 . 1 76 76 LYS CA C 13 58.267 0.07 . 1 . . . . . 76 LYS CA . 26309 1 359 . 1 . 1 76 76 LYS CB C 13 30.749 0.03 . 1 . . . . . 76 LYS CB . 26309 1 360 . 1 . 1 76 76 LYS N N 15 117.250 0.02 . 1 . . . . . 76 LYS N . 26309 1 361 . 1 . 1 77 77 LYS H H 1 7.670 0.00 . 1 . . . . . 77 LYS H . 26309 1 362 . 1 . 1 77 77 LYS C C 13 174.689 0.02 . 1 . . . . . 77 LYS C . 26309 1 363 . 1 . 1 77 77 LYS CA C 13 57.514 0.02 . 1 . . . . . 77 LYS CA . 26309 1 364 . 1 . 1 77 77 LYS CB C 13 36.880 0.04 . 1 . . . . . 77 LYS CB . 26309 1 365 . 1 . 1 77 77 LYS N N 15 116.309 0.02 . 1 . . . . . 77 LYS N . 26309 1 366 . 1 . 1 78 78 LYS H H 1 8.255 0.01 . 1 . . . . . 78 LYS H . 26309 1 367 . 1 . 1 78 78 LYS C C 13 173.225 0.01 . 1 . . . . . 78 LYS C . 26309 1 368 . 1 . 1 78 78 LYS CA C 13 55.781 0.03 . 1 . . . . . 78 LYS CA . 26309 1 369 . 1 . 1 78 78 LYS CB C 13 35.942 0.09 . 1 . . . . . 78 LYS CB . 26309 1 370 . 1 . 1 78 78 LYS N N 15 119.451 0.04 . 1 . . . . . 78 LYS N . 26309 1 371 . 1 . 1 79 79 TYR H H 1 7.615 0.00 . 1 . . . . . 79 TYR H . 26309 1 372 . 1 . 1 79 79 TYR C C 13 173.578 0.01 . 1 . . . . . 79 TYR C . 26309 1 373 . 1 . 1 79 79 TYR CA C 13 53.879 0.07 . 1 . . . . . 79 TYR CA . 26309 1 374 . 1 . 1 79 79 TYR CB C 13 41.934 0.06 . 1 . . . . . 79 TYR CB . 26309 1 375 . 1 . 1 79 79 TYR N N 15 125.864 0.04 . 1 . . . . . 79 TYR N . 26309 1 376 . 1 . 1 80 80 ASN H H 1 8.750 0.00 . 1 . . . . . 80 ASN H . 26309 1 377 . 1 . 1 80 80 ASN C C 13 173.391 0.02 . 1 . . . . . 80 ASN C . 26309 1 378 . 1 . 1 80 80 ASN CA C 13 51.999 0.04 . 1 . . . . . 80 ASN CA . 26309 1 379 . 1 . 1 80 80 ASN CB C 13 38.733 0.09 . 1 . . . . . 80 ASN CB . 26309 1 380 . 1 . 1 80 80 ASN N N 15 119.040 0.07 . 1 . . . . . 80 ASN N . 26309 1 381 . 1 . 1 81 81 LYS H H 1 8.822 0.00 . 1 . . . . . 81 LYS H . 26309 1 382 . 1 . 1 81 81 LYS C C 13 175.070 0.02 . 1 . . . . . 81 LYS C . 26309 1 383 . 1 . 1 81 81 LYS CA C 13 56.718 0.01 . 1 . . . . . 81 LYS CA . 26309 1 384 . 1 . 1 81 81 LYS CB C 13 29.667 0.00 . 1 . . . . . 81 LYS CB . 26309 1 385 . 1 . 1 81 81 LYS N N 15 116.705 0.09 . 1 . . . . . 81 LYS N . 26309 1 386 . 1 . 1 82 82 GLN H H 1 8.010 0.00 . 1 . . . . . 82 GLN H . 26309 1 387 . 1 . 1 82 82 GLN C C 13 175.979 0.00 . 1 . . . . . 82 GLN C . 26309 1 388 . 1 . 1 82 82 GLN CB C 13 31.422 0.00 . 1 . . . . . 82 GLN CB . 26309 1 389 . 1 . 1 82 82 GLN N N 15 116.904 0.04 . 1 . . . . . 82 GLN N . 26309 1 390 . 1 . 1 83 83 HIS C C 13 172.747 0.00 . 1 . . . . . 83 HIS C . 26309 1 391 . 1 . 1 83 83 HIS CA C 13 54.970 0.00 . 1 . . . . . 83 HIS CA . 26309 1 392 . 1 . 1 83 83 HIS CB C 13 31.366 0.02 . 1 . . . . . 83 HIS CB . 26309 1 393 . 1 . 1 84 84 ILE H H 1 8.481 0.00 . 1 . . . . . 84 ILE H . 26309 1 394 . 1 . 1 84 84 ILE C C 13 175.284 0.01 . 1 . . . . . 84 ILE C . 26309 1 395 . 1 . 1 84 84 ILE CA C 13 61.306 0.03 . 1 . . . . . 84 ILE CA . 26309 1 396 . 1 . 1 84 84 ILE CB C 13 39.930 0.06 . 1 . . . . . 84 ILE CB . 26309 1 397 . 1 . 1 84 84 ILE N N 15 121.309 0.05 . 1 . . . . . 84 ILE N . 26309 1 398 . 1 . 1 85 85 ILE H H 1 9.618 0.00 . 1 . . . . . 85 ILE H . 26309 1 399 . 1 . 1 85 85 ILE C C 13 173.893 0.00 . 1 . . . . . 85 ILE C . 26309 1 400 . 1 . 1 85 85 ILE CA C 13 57.888 0.00 . 1 . . . . . 85 ILE CA . 26309 1 401 . 1 . 1 85 85 ILE CB C 13 40.966 0.00 . 1 . . . . . 85 ILE CB . 26309 1 402 . 1 . 1 85 85 ILE N N 15 129.646 0.03 . 1 . . . . . 85 ILE N . 26309 1 403 . 1 . 1 86 86 PRO C C 13 177.919 0.00 . 1 . . . . . 86 PRO C . 26309 1 404 . 1 . 1 86 86 PRO CA C 13 63.241 0.03 . 1 . . . . . 86 PRO CA . 26309 1 405 . 1 . 1 86 86 PRO CB C 13 32.352 0.08 . 1 . . . . . 86 PRO CB . 26309 1 406 . 1 . 1 87 87 LEU H H 1 8.071 0.00 . 1 . . . . . 87 LEU H . 26309 1 407 . 1 . 1 87 87 LEU C C 13 177.890 0.02 . 1 . . . . . 87 LEU C . 26309 1 408 . 1 . 1 87 87 LEU CA C 13 56.786 0.03 . 1 . . . . . 87 LEU CA . 26309 1 409 . 1 . 1 87 87 LEU CB C 13 42.560 0.02 . 1 . . . . . 87 LEU CB . 26309 1 410 . 1 . 1 87 87 LEU N N 15 122.746 0.06 . 1 . . . . . 87 LEU N . 26309 1 411 . 1 . 1 88 88 GLU H H 1 9.090 0.00 . 1 . . . . . 88 GLU H . 26309 1 412 . 1 . 1 88 88 GLU C C 13 176.649 0.01 . 1 . . . . . 88 GLU C . 26309 1 413 . 1 . 1 88 88 GLU CA C 13 59.582 0.04 . 1 . . . . . 88 GLU CA . 26309 1 414 . 1 . 1 88 88 GLU CB C 13 28.583 0.03 . 1 . . . . . 88 GLU CB . 26309 1 415 . 1 . 1 88 88 GLU N N 15 116.753 0.02 . 1 . . . . . 88 GLU N . 26309 1 416 . 1 . 1 89 89 ASN H H 1 7.489 0.01 . 1 . . . . . 89 ASN H . 26309 1 417 . 1 . 1 89 89 ASN C C 13 174.256 0.00 . 1 . . . . . 89 ASN C . 26309 1 418 . 1 . 1 89 89 ASN CA C 13 52.567 0.01 . 1 . . . . . 89 ASN CA . 26309 1 419 . 1 . 1 89 89 ASN CB C 13 39.204 0.05 . 1 . . . . . 89 ASN CB . 26309 1 420 . 1 . 1 89 89 ASN N N 15 114.820 0.07 . 1 . . . . . 89 ASN N . 26309 1 421 . 1 . 1 90 90 VAL H H 1 7.485 0.00 . 1 . . . . . 90 VAL H . 26309 1 422 . 1 . 1 90 90 VAL C C 13 176.531 0.01 . 1 . . . . . 90 VAL C . 26309 1 423 . 1 . 1 90 90 VAL CA C 13 62.518 0.02 . 1 . . . . . 90 VAL CA . 26309 1 424 . 1 . 1 90 90 VAL CB C 13 32.972 0.03 . 1 . . . . . 90 VAL CB . 26309 1 425 . 1 . 1 90 90 VAL N N 15 120.324 0.02 . 1 . . . . . 90 VAL N . 26309 1 426 . 1 . 1 91 91 THR H H 1 8.795 0.00 . 1 . . . . . 91 THR H . 26309 1 427 . 1 . 1 91 91 THR C C 13 172.741 0.03 . 1 . . . . . 91 THR C . 26309 1 428 . 1 . 1 91 91 THR CA C 13 60.766 0.04 . 1 . . . . . 91 THR CA . 26309 1 429 . 1 . 1 91 91 THR CB C 13 72.187 0.03 . 1 . . . . . 91 THR CB . 26309 1 430 . 1 . 1 91 91 THR N N 15 118.548 0.06 . 1 . . . . . 91 THR N . 26309 1 431 . 1 . 1 92 92 ILE H H 1 8.614 0.00 . 1 . . . . . 92 ILE H . 26309 1 432 . 1 . 1 92 92 ILE C C 13 175.449 0.00 . 1 . . . . . 92 ILE C . 26309 1 433 . 1 . 1 92 92 ILE CA C 13 58.246 0.01 . 1 . . . . . 92 ILE CA . 26309 1 434 . 1 . 1 92 92 ILE CB C 13 42.219 0.03 . 1 . . . . . 92 ILE CB . 26309 1 435 . 1 . 1 92 92 ILE N N 15 114.767 0.06 . 1 . . . . . 92 ILE N . 26309 1 436 . 1 . 1 93 93 ASP H H 1 8.033 0.00 . 1 . . . . . 93 ASP H . 26309 1 437 . 1 . 1 93 93 ASP C C 13 175.181 0.01 . 1 . . . . . 93 ASP C . 26309 1 438 . 1 . 1 93 93 ASP CA C 13 52.968 0.02 . 1 . . . . . 93 ASP CA . 26309 1 439 . 1 . 1 93 93 ASP CB C 13 45.211 0.04 . 1 . . . . . 93 ASP CB . 26309 1 440 . 1 . 1 93 93 ASP N N 15 119.974 0.04 . 1 . . . . . 93 ASP N . 26309 1 441 . 1 . 1 94 94 SER H H 1 8.875 0.00 . 1 . . . . . 94 SER H . 26309 1 442 . 1 . 1 94 94 SER C C 13 173.710 0.00 . 1 . . . . . 94 SER C . 26309 1 443 . 1 . 1 94 94 SER CA C 13 59.544 0.00 . 1 . . . . . 94 SER CA . 26309 1 444 . 1 . 1 94 94 SER CB C 13 63.666 0.01 . 1 . . . . . 94 SER CB . 26309 1 445 . 1 . 1 94 94 SER N N 15 118.628 0.04 . 1 . . . . . 94 SER N . 26309 1 446 . 1 . 1 95 95 ILE H H 1 7.382 0.00 . 1 . . . . . 95 ILE H . 26309 1 447 . 1 . 1 95 95 ILE C C 13 175.800 0.01 . 1 . . . . . 95 ILE C . 26309 1 448 . 1 . 1 95 95 ILE CA C 13 59.763 0.01 . 1 . . . . . 95 ILE CA . 26309 1 449 . 1 . 1 95 95 ILE CB C 13 41.084 0.05 . 1 . . . . . 95 ILE CB . 26309 1 450 . 1 . 1 95 95 ILE N N 15 122.048 0.03 . 1 . . . . . 95 ILE N . 26309 1 451 . 1 . 1 96 96 LYS H H 1 8.415 0.00 . 1 . . . . . 96 LYS H . 26309 1 452 . 1 . 1 96 96 LYS C C 13 176.552 0.00 . 1 . . . . . 96 LYS C . 26309 1 453 . 1 . 1 96 96 LYS CA C 13 56.366 0.01 . 1 . . . . . 96 LYS CA . 26309 1 454 . 1 . 1 96 96 LYS CB C 13 33.086 0.03 . 1 . . . . . 96 LYS CB . 26309 1 455 . 1 . 1 96 96 LYS N N 15 124.730 0.03 . 1 . . . . . 96 LYS N . 26309 1 456 . 1 . 1 97 97 ASP H H 1 8.637 0.00 . 1 . . . . . 97 ASP H . 26309 1 457 . 1 . 1 97 97 ASP C C 13 175.841 0.01 . 1 . . . . . 97 ASP C . 26309 1 458 . 1 . 1 97 97 ASP CA C 13 55.385 0.03 . 1 . . . . . 97 ASP CA . 26309 1 459 . 1 . 1 97 97 ASP CB C 13 41.001 0.03 . 1 . . . . . 97 ASP CB . 26309 1 460 . 1 . 1 97 97 ASP N N 15 123.600 0.03 . 1 . . . . . 97 ASP N . 26309 1 461 . 1 . 1 98 98 GLU H H 1 8.327 0.00 . 1 . . . . . 98 GLU H . 26309 1 462 . 1 . 1 98 98 GLU C C 13 175.617 0.01 . 1 . . . . . 98 GLU C . 26309 1 463 . 1 . 1 98 98 GLU CA C 13 55.514 0.02 . 1 . . . . . 98 GLU CA . 26309 1 464 . 1 . 1 98 98 GLU CB C 13 31.896 0.05 . 1 . . . . . 98 GLU CB . 26309 1 465 . 1 . 1 98 98 GLU N N 15 122.856 0.02 . 1 . . . . . 98 GLU N . 26309 1 466 . 1 . 1 99 99 GLY H H 1 8.812 0.00 . 1 . . . . . 99 GLY H . 26309 1 467 . 1 . 1 99 99 GLY C C 13 174.686 0.01 . 1 . . . . . 99 GLY C . 26309 1 468 . 1 . 1 99 99 GLY CA C 13 46.996 0.03 . 1 . . . . . 99 GLY CA . 26309 1 469 . 1 . 1 99 99 GLY N N 15 116.018 0.07 . 1 . . . . . 99 GLY N . 26309 1 470 . 1 . 1 100 100 ASP H H 1 8.695 0.00 . 1 . . . . . 100 ASP H . 26309 1 471 . 1 . 1 100 100 ASP C C 13 175.799 0.00 . 1 . . . . . 100 ASP C . 26309 1 472 . 1 . 1 100 100 ASP CA C 13 54.925 0.02 . 1 . . . . . 100 ASP CA . 26309 1 473 . 1 . 1 100 100 ASP CB C 13 40.803 0.02 . 1 . . . . . 100 ASP CB . 26309 1 474 . 1 . 1 100 100 ASP N N 15 124.696 0.02 . 1 . . . . . 100 ASP N . 26309 1 475 . 1 . 1 101 101 LEU H H 1 7.883 0.00 . 1 . . . . . 101 LEU H . 26309 1 476 . 1 . 1 101 101 LEU C C 13 174.444 0.01 . 1 . . . . . 101 LEU C . 26309 1 477 . 1 . 1 101 101 LEU CA C 13 54.043 0.03 . 1 . . . . . 101 LEU CA . 26309 1 478 . 1 . 1 101 101 LEU CB C 13 39.409 0.04 . 1 . . . . . 101 LEU CB . 26309 1 479 . 1 . 1 101 101 LEU N N 15 123.258 0.02 . 1 . . . . . 101 LEU N . 26309 1 480 . 1 . 1 102 102 ARG H H 1 7.797 0.00 . 1 . . . . . 102 ARG H . 26309 1 481 . 1 . 1 102 102 ARG C C 13 175.128 0.01 . 1 . . . . . 102 ARG C . 26309 1 482 . 1 . 1 102 102 ARG CA C 13 53.678 0.04 . 1 . . . . . 102 ARG CA . 26309 1 483 . 1 . 1 102 102 ARG CB C 13 34.304 0.02 . 1 . . . . . 102 ARG CB . 26309 1 484 . 1 . 1 102 102 ARG N N 15 122.204 0.07 . 1 . . . . . 102 ARG N . 26309 1 485 . 1 . 1 103 103 ASN H H 1 8.746 0.00 . 1 . . . . . 103 ASN H . 26309 1 486 . 1 . 1 103 103 ASN C C 13 176.095 0.01 . 1 . . . . . 103 ASN C . 26309 1 487 . 1 . 1 103 103 ASN CA C 13 54.055 0.06 . 1 . . . . . 103 ASN CA . 26309 1 488 . 1 . 1 103 103 ASN CB C 13 37.065 0.03 . 1 . . . . . 103 ASN CB . 26309 1 489 . 1 . 1 103 103 ASN N N 15 113.305 0.03 . 1 . . . . . 103 ASN N . 26309 1 490 . 1 . 1 104 104 GLY H H 1 9.967 0.00 . 1 . . . . . 104 GLY H . 26309 1 491 . 1 . 1 104 104 GLY C C 13 175.443 0.02 . 1 . . . . . 104 GLY C . 26309 1 492 . 1 . 1 104 104 GLY CA C 13 45.752 0.03 . 1 . . . . . 104 GLY CA . 26309 1 493 . 1 . 1 104 104 GLY N N 15 107.580 0.05 . 1 . . . . . 104 GLY N . 26309 1 494 . 1 . 1 105 105 TRP H H 1 8.835 0.00 . 1 . . . . . 105 TRP H . 26309 1 495 . 1 . 1 105 105 TRP C C 13 170.997 0.03 . 1 . . . . . 105 TRP C . 26309 1 496 . 1 . 1 105 105 TRP CA C 13 57.526 0.04 . 1 . . . . . 105 TRP CA . 26309 1 497 . 1 . 1 105 105 TRP CB C 13 31.347 0.03 . 1 . . . . . 105 TRP CB . 26309 1 498 . 1 . 1 105 105 TRP N N 15 119.221 0.07 . 1 . . . . . 105 TRP N . 26309 1 499 . 1 . 1 106 106 LEU H H 1 9.075 0.00 . 1 . . . . . 106 LEU H . 26309 1 500 . 1 . 1 106 106 LEU C C 13 176.898 0.01 . 1 . . . . . 106 LEU C . 26309 1 501 . 1 . 1 106 106 LEU CA C 13 53.118 0.03 . 1 . . . . . 106 LEU CA . 26309 1 502 . 1 . 1 106 106 LEU CB C 13 45.374 0.03 . 1 . . . . . 106 LEU CB . 26309 1 503 . 1 . 1 106 106 LEU N N 15 118.513 0.04 . 1 . . . . . 106 LEU N . 26309 1 504 . 1 . 1 107 107 ILE H H 1 8.564 0.00 . 1 . . . . . 107 ILE H . 26309 1 505 . 1 . 1 107 107 ILE C C 13 174.033 0.01 . 1 . . . . . 107 ILE C . 26309 1 506 . 1 . 1 107 107 ILE CA C 13 61.571 0.04 . 1 . . . . . 107 ILE CA . 26309 1 507 . 1 . 1 107 107 ILE CB C 13 37.005 0.08 . 1 . . . . . 107 ILE CB . 26309 1 508 . 1 . 1 107 107 ILE N N 15 123.142 0.04 . 1 . . . . . 107 ILE N . 26309 1 509 . 1 . 1 108 108 LYS H H 1 8.905 0.01 . 1 . . . . . 108 LYS H . 26309 1 510 . 1 . 1 108 108 LYS C C 13 175.241 0.01 . 1 . . . . . 108 LYS C . 26309 1 511 . 1 . 1 108 108 LYS CA C 13 55.544 0.06 . 1 . . . . . 108 LYS CA . 26309 1 512 . 1 . 1 108 108 LYS CB C 13 33.599 0.09 . 1 . . . . . 108 LYS CB . 26309 1 513 . 1 . 1 108 108 LYS N N 15 126.685 0.04 . 1 . . . . . 108 LYS N . 26309 1 514 . 1 . 1 109 109 THR H H 1 8.421 0.00 . 1 . . . . . 109 THR H . 26309 1 515 . 1 . 1 109 109 THR C C 13 173.655 0.00 . 1 . . . . . 109 THR C . 26309 1 516 . 1 . 1 109 109 THR CA C 13 59.177 0.00 . 1 . . . . . 109 THR CA . 26309 1 517 . 1 . 1 109 109 THR CB C 13 69.380 0.00 . 1 . . . . . 109 THR CB . 26309 1 518 . 1 . 1 109 109 THR N N 15 114.652 0.05 . 1 . . . . . 109 THR N . 26309 1 519 . 1 . 1 110 110 PRO C C 13 177.596 0.00 . 1 . . . . . 110 PRO C . 26309 1 520 . 1 . 1 110 110 PRO CA C 13 65.719 0.03 . 1 . . . . . 110 PRO CA . 26309 1 521 . 1 . 1 110 110 PRO CB C 13 32.359 0.01 . 1 . . . . . 110 PRO CB . 26309 1 522 . 1 . 1 111 111 THR H H 1 7.638 0.00 . 1 . . . . . 111 THR H . 26309 1 523 . 1 . 1 111 111 THR C C 13 174.439 0.02 . 1 . . . . . 111 THR C . 26309 1 524 . 1 . 1 111 111 THR CA C 13 61.176 0.03 . 1 . . . . . 111 THR CA . 26309 1 525 . 1 . 1 111 111 THR CB C 13 70.513 0.03 . 1 . . . . . 111 THR CB . 26309 1 526 . 1 . 1 111 111 THR N N 15 102.408 0.03 . 1 . . . . . 111 THR N . 26309 1 527 . 1 . 1 112 112 LYS H H 1 7.588 0.00 . 1 . . . . . 112 LYS H . 26309 1 528 . 1 . 1 112 112 LYS C C 13 174.696 0.01 . 1 . . . . . 112 LYS C . 26309 1 529 . 1 . 1 112 112 LYS CA C 13 56.568 0.03 . 1 . . . . . 112 LYS CA . 26309 1 530 . 1 . 1 112 112 LYS CB C 13 35.683 0.04 . 1 . . . . . 112 LYS CB . 26309 1 531 . 1 . 1 112 112 LYS N N 15 122.037 0.02 . 1 . . . . . 112 LYS N . 26309 1 532 . 1 . 1 113 113 SER H H 1 8.678 0.00 . 1 . . . . . 113 SER H . 26309 1 533 . 1 . 1 113 113 SER C C 13 173.184 0.01 . 1 . . . . . 113 SER C . 26309 1 534 . 1 . 1 113 113 SER CA C 13 56.929 0.08 . 1 . . . . . 113 SER CA . 26309 1 535 . 1 . 1 113 113 SER CB C 13 66.116 0.05 . 1 . . . . . 113 SER CB . 26309 1 536 . 1 . 1 113 113 SER N N 15 118.821 0.03 . 1 . . . . . 113 SER N . 26309 1 537 . 1 . 1 114 114 PHE H H 1 8.423 0.00 . 1 . . . . . 114 PHE H . 26309 1 538 . 1 . 1 114 114 PHE C C 13 171.547 0.01 . 1 . . . . . 114 PHE C . 26309 1 539 . 1 . 1 114 114 PHE CA C 13 56.219 0.01 . 1 . . . . . 114 PHE CA . 26309 1 540 . 1 . 1 114 114 PHE CB C 13 40.925 0.04 . 1 . . . . . 114 PHE CB . 26309 1 541 . 1 . 1 114 114 PHE N N 15 118.146 0.04 . 1 . . . . . 114 PHE N . 26309 1 542 . 1 . 1 115 115 ALA H H 1 8.459 0.00 . 1 . . . . . 115 ALA H . 26309 1 543 . 1 . 1 115 115 ALA C C 13 176.269 0.01 . 1 . . . . . 115 ALA C . 26309 1 544 . 1 . 1 115 115 ALA CA C 13 50.542 0.04 . 1 . . . . . 115 ALA CA . 26309 1 545 . 1 . 1 115 115 ALA CB C 13 21.167 0.05 . 1 . . . . . 115 ALA CB . 26309 1 546 . 1 . 1 115 115 ALA N N 15 124.119 0.07 . 1 . . . . . 115 ALA N . 26309 1 547 . 1 . 1 116 116 VAL H H 1 7.914 0.01 . 1 . . . . . 116 VAL H . 26309 1 548 . 1 . 1 116 116 VAL C C 13 172.694 0.01 . 1 . . . . . 116 VAL C . 26309 1 549 . 1 . 1 116 116 VAL CA C 13 57.806 0.01 . 1 . . . . . 116 VAL CA . 26309 1 550 . 1 . 1 116 116 VAL CB C 13 34.853 0.04 . 1 . . . . . 116 VAL CB . 26309 1 551 . 1 . 1 116 116 VAL N N 15 113.833 0.05 . 1 . . . . . 116 VAL N . 26309 1 552 . 1 . 1 117 117 TYR H H 1 8.308 0.01 . 1 . . . . . 117 TYR H . 26309 1 553 . 1 . 1 117 117 TYR C C 13 175.867 0.02 . 1 . . . . . 117 TYR C . 26309 1 554 . 1 . 1 117 117 TYR CA C 13 57.271 0.01 . 1 . . . . . 117 TYR CA . 26309 1 555 . 1 . 1 117 117 TYR CB C 13 39.809 0.06 . 1 . . . . . 117 TYR CB . 26309 1 556 . 1 . 1 117 117 TYR N N 15 114.438 0.07 . 1 . . . . . 117 TYR N . 26309 1 557 . 1 . 1 118 118 ALA H H 1 8.524 0.00 . 1 . . . . . 118 ALA H . 26309 1 558 . 1 . 1 118 118 ALA C C 13 177.024 0.01 . 1 . . . . . 118 ALA C . 26309 1 559 . 1 . 1 118 118 ALA CA C 13 50.077 0.02 . 1 . . . . . 118 ALA CA . 26309 1 560 . 1 . 1 118 118 ALA CB C 13 21.843 0.03 . 1 . . . . . 118 ALA CB . 26309 1 561 . 1 . 1 118 118 ALA N N 15 125.781 0.05 . 1 . . . . . 118 ALA N . 26309 1 562 . 1 . 1 119 119 ALA H H 1 9.065 0.00 . 1 . . . . . 119 ALA H . 26309 1 563 . 1 . 1 119 119 ALA C C 13 178.815 0.02 . 1 . . . . . 119 ALA C . 26309 1 564 . 1 . 1 119 119 ALA CA C 13 54.799 0.03 . 1 . . . . . 119 ALA CA . 26309 1 565 . 1 . 1 119 119 ALA CB C 13 19.643 0.02 . 1 . . . . . 119 ALA CB . 26309 1 566 . 1 . 1 119 119 ALA N N 15 121.090 0.02 . 1 . . . . . 119 ALA N . 26309 1 567 . 1 . 1 120 120 THR H H 1 7.201 0.00 . 1 . . . . . 120 THR H . 26309 1 568 . 1 . 1 120 120 THR C C 13 174.739 0.01 . 1 . . . . . 120 THR C . 26309 1 569 . 1 . 1 120 120 THR CA C 13 58.693 0.01 . 1 . . . . . 120 THR CA . 26309 1 570 . 1 . 1 120 120 THR CB C 13 73.929 0.02 . 1 . . . . . 120 THR CB . 26309 1 571 . 1 . 1 120 120 THR N N 15 102.153 0.04 . 1 . . . . . 120 THR N . 26309 1 572 . 1 . 1 121 121 ALA H H 1 9.026 0.00 . 1 . . . . . 121 ALA H . 26309 1 573 . 1 . 1 121 121 ALA C C 13 180.962 0.02 . 1 . . . . . 121 ALA C . 26309 1 574 . 1 . 1 121 121 ALA CA C 13 55.424 0.01 . 1 . . . . . 121 ALA CA . 26309 1 575 . 1 . 1 121 121 ALA CB C 13 18.153 0.02 . 1 . . . . . 121 ALA CB . 26309 1 576 . 1 . 1 121 121 ALA N N 15 125.376 0.03 . 1 . . . . . 121 ALA N . 26309 1 577 . 1 . 1 122 122 THR H H 1 8.154 0.00 . 1 . . . . . 122 THR H . 26309 1 578 . 1 . 1 122 122 THR C C 13 176.020 0.00 . 1 . . . . . 122 THR C . 26309 1 579 . 1 . 1 122 122 THR CA C 13 66.069 0.03 . 1 . . . . . 122 THR CA . 26309 1 580 . 1 . 1 122 122 THR CB C 13 68.672 0.02 . 1 . . . . . 122 THR CB . 26309 1 581 . 1 . 1 122 122 THR N N 15 114.626 0.07 . 1 . . . . . 122 THR N . 26309 1 582 . 1 . 1 123 123 GLU H H 1 7.874 0.00 . 1 . . . . . 123 GLU H . 26309 1 583 . 1 . 1 123 123 GLU C C 13 178.378 0.01 . 1 . . . . . 123 GLU C . 26309 1 584 . 1 . 1 123 123 GLU CA C 13 59.874 0.02 . 1 . . . . . 123 GLU CA . 26309 1 585 . 1 . 1 123 123 GLU CB C 13 31.411 0.04 . 1 . . . . . 123 GLU CB . 26309 1 586 . 1 . 1 123 123 GLU N N 15 122.183 0.02 . 1 . . . . . 123 GLU N . 26309 1 587 . 1 . 1 124 124 LYS H H 1 7.555 0.00 . 1 . . . . . 124 LYS H . 26309 1 588 . 1 . 1 124 124 LYS C C 13 176.583 0.02 . 1 . . . . . 124 LYS C . 26309 1 589 . 1 . 1 124 124 LYS CA C 13 59.255 0.05 . 1 . . . . . 124 LYS CA . 26309 1 590 . 1 . 1 124 124 LYS CB C 13 31.914 0.03 . 1 . . . . . 124 LYS CB . 26309 1 591 . 1 . 1 124 124 LYS N N 15 119.567 0.01 . 1 . . . . . 124 LYS N . 26309 1 592 . 1 . 1 125 125 SER H H 1 7.929 0.00 . 1 . . . . . 125 SER H . 26309 1 593 . 1 . 1 125 125 SER C C 13 176.454 0.01 . 1 . . . . . 125 SER C . 26309 1 594 . 1 . 1 125 125 SER CA C 13 61.911 0.00 . 1 . . . . . 125 SER CA . 26309 1 595 . 1 . 1 125 125 SER CB C 13 62.611 0.00 . 1 . . . . . 125 SER CB . 26309 1 596 . 1 . 1 125 125 SER N N 15 114.122 0.02 . 1 . . . . . 125 SER N . 26309 1 597 . 1 . 1 126 126 GLU H H 1 8.208 0.00 . 1 . . . . . 126 GLU H . 26309 1 598 . 1 . 1 126 126 GLU C C 13 179.525 0.01 . 1 . . . . . 126 GLU C . 26309 1 599 . 1 . 1 126 126 GLU CA C 13 59.582 0.09 . 1 . . . . . 126 GLU CA . 26309 1 600 . 1 . 1 126 126 GLU CB C 13 29.851 0.03 . 1 . . . . . 126 GLU CB . 26309 1 601 . 1 . 1 126 126 GLU N N 15 120.422 0.06 . 1 . . . . . 126 GLU N . 26309 1 602 . 1 . 1 127 127 TRP H H 1 8.490 0.00 . 1 . . . . . 127 TRP H . 26309 1 603 . 1 . 1 127 127 TRP C C 13 179.232 0.02 . 1 . . . . . 127 TRP C . 26309 1 604 . 1 . 1 127 127 TRP CA C 13 62.323 0.01 . 1 . . . . . 127 TRP CA . 26309 1 605 . 1 . 1 127 127 TRP CB C 13 31.180 0.07 . 1 . . . . . 127 TRP CB . 26309 1 606 . 1 . 1 127 127 TRP N N 15 119.823 0.11 . 1 . . . . . 127 TRP N . 26309 1 607 . 1 . 1 128 128 MET H H 1 8.108 0.00 . 1 . . . . . 128 MET H . 26309 1 608 . 1 . 1 128 128 MET C C 13 177.549 0.01 . 1 . . . . . 128 MET C . 26309 1 609 . 1 . 1 128 128 MET CA C 13 60.616 0.02 . 1 . . . . . 128 MET CA . 26309 1 610 . 1 . 1 128 128 MET CB C 13 32.040 0.02 . 1 . . . . . 128 MET CB . 26309 1 611 . 1 . 1 128 128 MET N N 15 115.238 0.05 . 1 . . . . . 128 MET N . 26309 1 612 . 1 . 1 129 129 ASN H H 1 8.125 0.00 . 1 . . . . . 129 ASN H . 26309 1 613 . 1 . 1 129 129 ASN C C 13 178.700 0.01 . 1 . . . . . 129 ASN C . 26309 1 614 . 1 . 1 129 129 ASN CA C 13 56.192 0.02 . 1 . . . . . 129 ASN CA . 26309 1 615 . 1 . 1 129 129 ASN CB C 13 37.775 0.03 . 1 . . . . . 129 ASN CB . 26309 1 616 . 1 . 1 129 129 ASN N N 15 116.281 0.03 . 1 . . . . . 129 ASN N . 26309 1 617 . 1 . 1 130 130 HIS H H 1 8.237 0.00 . 1 . . . . . 130 HIS H . 26309 1 618 . 1 . 1 130 130 HIS C C 13 177.985 0.01 . 1 . . . . . 130 HIS C . 26309 1 619 . 1 . 1 130 130 HIS CA C 13 59.569 0.01 . 1 . . . . . 130 HIS CA . 26309 1 620 . 1 . 1 130 130 HIS CB C 13 28.892 0.03 . 1 . . . . . 130 HIS CB . 26309 1 621 . 1 . 1 130 130 HIS N N 15 117.712 0.07 . 1 . . . . . 130 HIS N . 26309 1 622 . 1 . 1 131 131 ILE H H 1 8.845 0.00 . 1 . . . . . 131 ILE H . 26309 1 623 . 1 . 1 131 131 ILE C C 13 176.965 0.01 . 1 . . . . . 131 ILE C . 26309 1 624 . 1 . 1 131 131 ILE CA C 13 67.111 0.04 . 1 . . . . . 131 ILE CA . 26309 1 625 . 1 . 1 131 131 ILE CB C 13 38.158 0.12 . 1 . . . . . 131 ILE CB . 26309 1 626 . 1 . 1 131 131 ILE N N 15 119.888 0.04 . 1 . . . . . 131 ILE N . 26309 1 627 . 1 . 1 132 132 ASN H H 1 8.285 0.00 . 1 . . . . . 132 ASN H . 26309 1 628 . 1 . 1 132 132 ASN C C 13 178.313 0.02 . 1 . . . . . 132 ASN C . 26309 1 629 . 1 . 1 132 132 ASN CA C 13 56.479 0.02 . 1 . . . . . 132 ASN CA . 26309 1 630 . 1 . 1 132 132 ASN CB C 13 37.981 0.01 . 1 . . . . . 132 ASN CB . 26309 1 631 . 1 . 1 132 132 ASN N N 15 116.024 0.04 . 1 . . . . . 132 ASN N . 26309 1 632 . 1 . 1 133 133 LYS H H 1 8.028 0.00 . 1 . . . . . 133 LYS H . 26309 1 633 . 1 . 1 133 133 LYS C C 13 177.994 0.01 . 1 . . . . . 133 LYS C . 26309 1 634 . 1 . 1 133 133 LYS CA C 13 59.488 0.03 . 1 . . . . . 133 LYS CA . 26309 1 635 . 1 . 1 133 133 LYS CB C 13 32.047 0.04 . 1 . . . . . 133 LYS CB . 26309 1 636 . 1 . 1 133 133 LYS N N 15 121.475 0.04 . 1 . . . . . 133 LYS N . 26309 1 637 . 1 . 1 134 134 CYS H H 1 8.041 0.00 . 1 . . . . . 134 CYS H . 26309 1 638 . 1 . 1 134 134 CYS C C 13 178.459 0.01 . 1 . . . . . 134 CYS C . 26309 1 639 . 1 . 1 134 134 CYS CA C 13 63.599 0.08 . 1 . . . . . 134 CYS CA . 26309 1 640 . 1 . 1 134 134 CYS CB C 13 27.142 0.10 . 1 . . . . . 134 CYS CB . 26309 1 641 . 1 . 1 134 134 CYS N N 15 116.497 0.07 . 1 . . . . . 134 CYS N . 26309 1 642 . 1 . 1 135 135 VAL H H 1 8.520 0.00 . 1 . . . . . 135 VAL H . 26309 1 643 . 1 . 1 135 135 VAL C C 13 178.037 0.01 . 1 . . . . . 135 VAL C . 26309 1 644 . 1 . 1 135 135 VAL CA C 13 67.718 0.01 . 1 . . . . . 135 VAL CA . 26309 1 645 . 1 . 1 135 135 VAL CB C 13 32.261 0.05 . 1 . . . . . 135 VAL CB . 26309 1 646 . 1 . 1 135 135 VAL N N 15 119.971 0.08 . 1 . . . . . 135 VAL N . 26309 1 647 . 1 . 1 136 136 THR H H 1 8.239 0.00 . 1 . . . . . 136 THR H . 26309 1 648 . 1 . 1 136 136 THR C C 13 177.519 0.00 . 1 . . . . . 136 THR C . 26309 1 649 . 1 . 1 136 136 THR CA C 13 66.715 0.04 . 1 . . . . . 136 THR CA . 26309 1 650 . 1 . 1 136 136 THR CB C 13 68.881 0.01 . 1 . . . . . 136 THR CB . 26309 1 651 . 1 . 1 136 136 THR N N 15 114.650 0.03 . 1 . . . . . 136 THR N . 26309 1 652 . 1 . 1 137 137 ASP H H 1 8.365 0.00 . 1 . . . . . 137 ASP H . 26309 1 653 . 1 . 1 137 137 ASP C C 13 178.296 0.01 . 1 . . . . . 137 ASP C . 26309 1 654 . 1 . 1 137 137 ASP CA C 13 56.909 0.02 . 1 . . . . . 137 ASP CA . 26309 1 655 . 1 . 1 137 137 ASP CB C 13 40.189 0.04 . 1 . . . . . 137 ASP CB . 26309 1 656 . 1 . 1 137 137 ASP N N 15 121.917 0.04 . 1 . . . . . 137 ASP N . 26309 1 657 . 1 . 1 138 138 LEU H H 1 7.709 0.00 . 1 . . . . . 138 LEU H . 26309 1 658 . 1 . 1 138 138 LEU C C 13 178.315 0.01 . 1 . . . . . 138 LEU C . 26309 1 659 . 1 . 1 138 138 LEU CA C 13 56.855 0.02 . 1 . . . . . 138 LEU CA . 26309 1 660 . 1 . 1 138 138 LEU CB C 13 42.653 0.04 . 1 . . . . . 138 LEU CB . 26309 1 661 . 1 . 1 138 138 LEU N N 15 120.186 0.01 . 1 . . . . . 138 LEU N . 26309 1 662 . 1 . 1 139 139 LEU H H 1 7.586 0.00 . 1 . . . . . 139 LEU H . 26309 1 663 . 1 . 1 139 139 LEU C C 13 176.970 0.01 . 1 . . . . . 139 LEU C . 26309 1 664 . 1 . 1 139 139 LEU CA C 13 55.256 0.02 . 1 . . . . . 139 LEU CA . 26309 1 665 . 1 . 1 139 139 LEU CB C 13 42.371 0.03 . 1 . . . . . 139 LEU CB . 26309 1 666 . 1 . 1 139 139 LEU N N 15 119.075 0.03 . 1 . . . . . 139 LEU N . 26309 1 667 . 1 . 1 140 140 SER H H 1 7.582 0.00 . 1 . . . . . 140 SER H . 26309 1 668 . 1 . 1 140 140 SER C C 13 178.662 0.00 . 1 . . . . . 140 SER C . 26309 1 669 . 1 . 1 140 140 SER CA C 13 60.721 0.00 . 1 . . . . . 140 SER CA . 26309 1 670 . 1 . 1 140 140 SER CB C 13 65.078 0.00 . 1 . . . . . 140 SER CB . 26309 1 671 . 1 . 1 140 140 SER N N 15 121.189 0.02 . 1 . . . . . 140 SER N . 26309 1 stop_ save_