data_30912 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30912 _Entry.Title ; AUGbeta - FAM150A - ALKL1 60-128 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-05-24 _Entry.Accession_date 2021-05-24 _Entry.Last_release_date 2021-06-18 _Entry.Original_release_date 2021-06-18 _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 NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 P. Rossi P. . . . 30912 2 M. Sowaileh M. . . . 30912 3 A. Reshetnyak A. V. . . 30912 4 C. Kalodimos C. G. . . 30912 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'ALKL2 77-152' . 30912 'Anaplastic lymphoma kinase (ALK) activating ligand' . 30912 CYTOKINE . 30912 FAM150B . 30912 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30912 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 309 30912 '15N chemical shifts' 60 30912 '1H chemical shifts' 455 30912 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2021-12-03 2021-05-24 update BMRB 'update entry citation' 30912 1 . . 2021-11-19 2021-05-24 original author 'original release' 30912 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7MZZ 'BMRB Entry Tracking System' 30912 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30912 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34819673 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Mechanism for the activation of the anaplastic lymphoma kinase receptor ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Nature _Citation.Journal_name_full Nature _Citation.Journal_volume 600 _Citation.Journal_issue 7887 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1476-4687 _Citation.Journal_CSD 0353 _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 153 _Citation.Page_last 157 _Citation.Year 2021 _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 A. Reshetnyak A. V. . . 30912 1 2 P. Rossi P. . . . 30912 1 3 A. Myasnikov A. G. . . 30912 1 4 M. Sowaileh M. . . . 30912 1 5 J. Mohanty J. . . . 30912 1 6 A. Nourse A. . . . 30912 1 7 D. Miller D. J. . . 30912 1 8 I. Lax I. . . . 30912 1 9 J. Schlessinger J. . . . 30912 1 10 C. Kalodimos C. G. . . 30912 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30912 _Assembly.ID 1 _Assembly.Name 'ALK and LTK ligand 1' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 30912 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 31 31 SG . 1 . 1 CYS 67 67 SG . . . . . . . . . . . . 30912 1 2 disulfide single . 1 . 1 CYS 45 45 SG . 1 . 1 CYS 54 54 SG . . . . . . . . . . . . 30912 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30912 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SRSAEIFPRDSNLKDKFIKH FTGPVTFSPECSKHFHRLYY NTRECSTPAYYKRCARLLTR LAVSPLCSQT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 70 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'residues 60-129' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8187.402 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID AUG-beta common 30912 1 'Augmentor beta' common 30912 1 'Protein FAM150A' common 30912 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 60 SER . 30912 1 2 61 ARG . 30912 1 3 62 SER . 30912 1 4 63 ALA . 30912 1 5 64 GLU . 30912 1 6 65 ILE . 30912 1 7 66 PHE . 30912 1 8 67 PRO . 30912 1 9 68 ARG . 30912 1 10 69 ASP . 30912 1 11 70 SER . 30912 1 12 71 ASN . 30912 1 13 72 LEU . 30912 1 14 73 LYS . 30912 1 15 74 ASP . 30912 1 16 75 LYS . 30912 1 17 76 PHE . 30912 1 18 77 ILE . 30912 1 19 78 LYS . 30912 1 20 79 HIS . 30912 1 21 80 PHE . 30912 1 22 81 THR . 30912 1 23 82 GLY . 30912 1 24 83 PRO . 30912 1 25 84 VAL . 30912 1 26 85 THR . 30912 1 27 86 PHE . 30912 1 28 87 SER . 30912 1 29 88 PRO . 30912 1 30 89 GLU . 30912 1 31 90 CYS . 30912 1 32 91 SER . 30912 1 33 92 LYS . 30912 1 34 93 HIS . 30912 1 35 94 PHE . 30912 1 36 95 HIS . 30912 1 37 96 ARG . 30912 1 38 97 LEU . 30912 1 39 98 TYR . 30912 1 40 99 TYR . 30912 1 41 100 ASN . 30912 1 42 101 THR . 30912 1 43 102 ARG . 30912 1 44 103 GLU . 30912 1 45 104 CYS . 30912 1 46 105 SER . 30912 1 47 106 THR . 30912 1 48 107 PRO . 30912 1 49 108 ALA . 30912 1 50 109 TYR . 30912 1 51 110 TYR . 30912 1 52 111 LYS . 30912 1 53 112 ARG . 30912 1 54 113 CYS . 30912 1 55 114 ALA . 30912 1 56 115 ARG . 30912 1 57 116 LEU . 30912 1 58 117 LEU . 30912 1 59 118 THR . 30912 1 60 119 ARG . 30912 1 61 120 LEU . 30912 1 62 121 ALA . 30912 1 63 122 VAL . 30912 1 64 123 SER . 30912 1 65 124 PRO . 30912 1 66 125 LEU . 30912 1 67 126 CYS . 30912 1 68 127 SER . 30912 1 69 128 GLN . 30912 1 70 129 THR . 30912 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 . SER 1 1 30912 1 . ARG 2 2 30912 1 . SER 3 3 30912 1 . ALA 4 4 30912 1 . GLU 5 5 30912 1 . ILE 6 6 30912 1 . PHE 7 7 30912 1 . PRO 8 8 30912 1 . ARG 9 9 30912 1 . ASP 10 10 30912 1 . SER 11 11 30912 1 . ASN 12 12 30912 1 . LEU 13 13 30912 1 . LYS 14 14 30912 1 . ASP 15 15 30912 1 . LYS 16 16 30912 1 . PHE 17 17 30912 1 . ILE 18 18 30912 1 . LYS 19 19 30912 1 . HIS 20 20 30912 1 . PHE 21 21 30912 1 . THR 22 22 30912 1 . GLY 23 23 30912 1 . PRO 24 24 30912 1 . VAL 25 25 30912 1 . THR 26 26 30912 1 . PHE 27 27 30912 1 . SER 28 28 30912 1 . PRO 29 29 30912 1 . GLU 30 30 30912 1 . CYS 31 31 30912 1 . SER 32 32 30912 1 . LYS 33 33 30912 1 . HIS 34 34 30912 1 . PHE 35 35 30912 1 . HIS 36 36 30912 1 . ARG 37 37 30912 1 . LEU 38 38 30912 1 . TYR 39 39 30912 1 . TYR 40 40 30912 1 . ASN 41 41 30912 1 . THR 42 42 30912 1 . ARG 43 43 30912 1 . GLU 44 44 30912 1 . CYS 45 45 30912 1 . SER 46 46 30912 1 . THR 47 47 30912 1 . PRO 48 48 30912 1 . ALA 49 49 30912 1 . TYR 50 50 30912 1 . TYR 51 51 30912 1 . LYS 52 52 30912 1 . ARG 53 53 30912 1 . CYS 54 54 30912 1 . ALA 55 55 30912 1 . ARG 56 56 30912 1 . LEU 57 57 30912 1 . LEU 58 58 30912 1 . THR 59 59 30912 1 . ARG 60 60 30912 1 . LEU 61 61 30912 1 . ALA 62 62 30912 1 . VAL 63 63 30912 1 . SER 64 64 30912 1 . PRO 65 65 30912 1 . LEU 66 66 30912 1 . CYS 67 67 30912 1 . SER 68 68 30912 1 . GLN 69 69 30912 1 . THR 70 70 30912 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 30912 _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 . . . . . . . . . . . 'ALKAL1, FAM150A, UNQ9433/PRO34745' . 30912 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 30912 _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 BL21(DE3)' . . 469008 . . BL21(DE3) . . . . . . . . . 30912 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30912 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 300 uM [U-10% 13C; U-100% 15N] AUGbeta-FAM150A-ALKL1 residues 60-129, 0.1 % sodium azide, 20 mM sodium phosphate, 150 mM sodium chloride, 90% H2O/10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'AUGbeta-FAM150A-ALKL1 residues 60-129' '[U-10% 13C; U-100% 15N]' . . 1 $entity_1 . . 300 . . uM . . . . 30912 1 2 'sodium azide' 'natural abundance' . . . . . . 0.1 . . % . . . . 30912 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 30912 1 4 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 30912 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30912 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 300 uM [U-10% 13C; U-100% 15N AILTV methyl sample] AUGbeta-FAM150A-ALKL1 residues 60-129, 0.1 % sodium azide, 20 mM sodium phosphate, 150 mM sodium chloride, 90% H2O/10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'AUGbeta-FAM150A-ALKL1 residues 60-129' '[U-10% 13C; U-100% 15N AILTV methyl sample]' . . 1 $entity_1 . . 300 . . uM . . . . 30912 2 2 'sodium azide' 'natural abundance' . . . . . . 0.1 . . % . . . . 30912 2 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 30912 2 4 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 30912 2 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 30912 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 170 . mM 30912 1 pH 7 . pH 30912 1 pressure 1 . atm 30912 1 temperature 298 . K 30912 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30912 _Software.ID 1 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 30912 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 30912 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30912 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version 3.98 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 30912 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 30912 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30912 _Software.ID 3 _Software.Type . _Software.Name PINE _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bahrami, Markley, Assadi, and Eghbalnia' . . 30912 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 30912 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30912 _Software.ID 4 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID W.Lee . . 30912 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 30912 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30912 _Software.ID 5 _Software.Type . _Software.Name TopSpin _Software.Version 4.06 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 30912 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 30912 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 30912 _Software.ID 6 _Software.Type . _Software.Name TALOS-N _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Shen and Bax' . . 30912 6 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'geometry optimization' . 30912 6 stop_ save_ save_software_7 _Software.Sf_category software _Software.Sf_framecode software_7 _Software.Entry_ID 30912 _Software.ID 7 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30912 7 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 30912 7 stop_ save_ save_software_8 _Software.Sf_category software _Software.Sf_framecode software_8 _Software.Entry_ID 30912 _Software.ID 8 _Software.Type . _Software.Name PdbStat _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Tejero and Montelione' . . 30912 8 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 30912 8 stop_ save_ save_software_9 _Software.Sf_category software _Software.Sf_framecode software_9 _Software.Entry_ID 30912 _Software.ID 9 _Software.Type . _Software.Name PSVS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 30912 9 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 30912 9 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 30912 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 30912 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 30912 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE NEO' . 850 . . . 30912 1 2 NMR_spectrometer_2 Bruker 'AVANCE NEO' . 700 . . . 30912 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 30912 _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 . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30912 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30912 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30912 1 4 '2D 2D 1H-13C HMQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30912 1 5 '3D 1H-13C NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30912 1 7 '3D sfHallCmHm_NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30912 1 8 '3D sfCCH_NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30912 1 9 '3D HCCH-COSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30912 1 10 '3D CCH_TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30912 1 11 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30912 1 12 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30912 1 13 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30912 1 14 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30912 1 15 '3D HCACO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30912 1 16 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30912 1 17 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30912 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 30912 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.251449530 . . . . . 30912 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30912 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 30912 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 30912 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 30912 1 2 '2D 1H-13C HSQC' . . . 30912 1 3 '2D 1H-13C HSQC aromatic' . . . 30912 1 4 '2D 2D 1H-13C HMQC' . . . 30912 1 5 '3D 1H-13C NOESY' . . . 30912 1 7 '3D sfHallCmHm_NOESY' . . . 30912 1 8 '3D sfCCH_NOESY' . . . 30912 1 9 '3D HCCH-COSY' . . . 30912 1 10 '3D CCH_TOCSY' . . . 30912 1 11 '3D CBCA(CO)NH' . . . 30912 1 12 '3D HBHA(CO)NH' . . . 30912 1 13 '3D HNCO' . . . 30912 1 14 '3D HNCACB' . . . 30912 1 15 '3D HCACO' . . . 30912 1 16 '3D 1H-13C NOESY aromatic' . . . 30912 1 17 '3D 1H-15N NOESY' . . . 30912 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 SER HB2 H 1 4.087 0.00 . . . . . . A 60 SER HB2 . 30912 1 2 . 1 . 1 1 1 SER HB3 H 1 4.103 0.00 . . . . . . A 60 SER HB3 . 30912 1 3 . 1 . 1 1 1 SER C C 13 177.969 0.00 . . . . . . A 60 SER C . 30912 1 4 . 1 . 1 1 1 SER CA C 13 58.599 0.00 . . . . . . A 60 SER CA . 30912 1 5 . 1 . 1 1 1 SER CB C 13 60.445 0.00 . . . . . . A 60 SER CB . 30912 1 6 . 1 . 1 2 2 ARG H H 1 8.106 0.02 . . . . . . A 61 ARG H . 30912 1 7 . 1 . 1 2 2 ARG N N 15 118.786 0.10 . . . . . . A 61 ARG N . 30912 1 8 . 1 . 1 3 3 SER HA H 1 4.438 0.00 . . . . . . A 62 SER HA . 30912 1 9 . 1 . 1 3 3 SER HB2 H 1 3.908 0.01 . . . . . . A 62 SER HB2 . 30912 1 10 . 1 . 1 3 3 SER HB3 H 1 3.911 0.01 . . . . . . A 62 SER HB3 . 30912 1 11 . 1 . 1 3 3 SER C C 13 174.255 0.00 . . . . . . A 62 SER C . 30912 1 12 . 1 . 1 3 3 SER CA C 13 58.609 0.05 . . . . . . A 62 SER CA . 30912 1 13 . 1 . 1 3 3 SER CB C 13 63.804 0.02 . . . . . . A 62 SER CB . 30912 1 14 . 1 . 1 4 4 ALA H H 1 8.292 0.02 . . . . . . A 63 ALA H . 30912 1 15 . 1 . 1 4 4 ALA HA H 1 4.351 0.00 . . . . . . A 63 ALA HA . 30912 1 16 . 1 . 1 4 4 ALA HB1 H 1 1.414 0.01 . . . . . . A 63 ALA HB1 . 30912 1 17 . 1 . 1 4 4 ALA HB2 H 1 1.414 0.01 . . . . . . A 63 ALA HB2 . 30912 1 18 . 1 . 1 4 4 ALA HB3 H 1 1.414 0.01 . . . . . . A 63 ALA HB3 . 30912 1 19 . 1 . 1 4 4 ALA C C 13 177.463 0.00 . . . . . . A 63 ALA C . 30912 1 20 . 1 . 1 4 4 ALA CA C 13 52.580 0.03 . . . . . . A 63 ALA CA . 30912 1 21 . 1 . 1 4 4 ALA CB C 13 19.440 0.08 . . . . . . A 63 ALA CB . 30912 1 22 . 1 . 1 4 4 ALA N N 15 125.657 0.10 . . . . . . A 63 ALA N . 30912 1 23 . 1 . 1 5 5 GLU H H 1 8.211 0.02 . . . . . . A 64 GLU H . 30912 1 24 . 1 . 1 5 5 GLU HA H 1 4.307 0.02 . . . . . . A 64 GLU HA . 30912 1 25 . 1 . 1 5 5 GLU HB2 H 1 1.963 0.01 . . . . . . A 64 GLU HB2 . 30912 1 26 . 1 . 1 5 5 GLU HB3 H 1 1.977 0.04 . . . . . . A 64 GLU HB3 . 30912 1 27 . 1 . 1 5 5 GLU HG2 H 1 2.247 0.00 . . . . . . A 64 GLU HG2 . 30912 1 28 . 1 . 1 5 5 GLU HG3 H 1 2.181 0.01 . . . . . . A 64 GLU HG3 . 30912 1 29 . 1 . 1 5 5 GLU C C 13 176.005 0.00 . . . . . . A 64 GLU C . 30912 1 30 . 1 . 1 5 5 GLU CA C 13 56.496 0.12 . . . . . . A 64 GLU CA . 30912 1 31 . 1 . 1 5 5 GLU CB C 13 30.456 0.10 . . . . . . A 64 GLU CB . 30912 1 32 . 1 . 1 5 5 GLU CG C 13 36.348 0.01 . . . . . . A 64 GLU CG . 30912 1 33 . 1 . 1 5 5 GLU N N 15 119.822 0.10 . . . . . . A 64 GLU N . 30912 1 34 . 1 . 1 6 6 ILE H H 1 8.005 0.03 . . . . . . A 65 ILE H . 30912 1 35 . 1 . 1 6 6 ILE HA H 1 4.143 0.05 . . . . . . A 65 ILE HA . 30912 1 36 . 1 . 1 6 6 ILE HB H 1 1.769 0.04 . . . . . . A 65 ILE HB . 30912 1 37 . 1 . 1 6 6 ILE HG12 H 1 1.311 0.00 . . . . . . A 65 ILE HG12 . 30912 1 38 . 1 . 1 6 6 ILE HG13 H 1 0.920 0.12 . . . . . . A 65 ILE HG13 . 30912 1 39 . 1 . 1 6 6 ILE HG21 H 1 0.687 0.00 . . . . . . A 65 ILE HG21 . 30912 1 40 . 1 . 1 6 6 ILE HG22 H 1 0.687 0.00 . . . . . . A 65 ILE HG22 . 30912 1 41 . 1 . 1 6 6 ILE HG23 H 1 0.687 0.00 . . . . . . A 65 ILE HG23 . 30912 1 42 . 1 . 1 6 6 ILE HD11 H 1 0.767 0.00 . . . . . . A 65 ILE HD11 . 30912 1 43 . 1 . 1 6 6 ILE HD12 H 1 0.767 0.00 . . . . . . A 65 ILE HD12 . 30912 1 44 . 1 . 1 6 6 ILE HD13 H 1 0.767 0.00 . . . . . . A 65 ILE HD13 . 30912 1 45 . 1 . 1 6 6 ILE C C 13 174.493 0.00 . . . . . . A 65 ILE C . 30912 1 46 . 1 . 1 6 6 ILE CA C 13 61.082 0.14 . . . . . . A 65 ILE CA . 30912 1 47 . 1 . 1 6 6 ILE CB C 13 38.854 0.09 . . . . . . A 65 ILE CB . 30912 1 48 . 1 . 1 6 6 ILE CG1 C 13 27.087 0.05 . . . . . . A 65 ILE CG1 . 30912 1 49 . 1 . 1 6 6 ILE CG2 C 13 17.462 0.03 . . . . . . A 65 ILE CG2 . 30912 1 50 . 1 . 1 6 6 ILE CD1 C 13 12.914 0.04 . . . . . . A 65 ILE CD1 . 30912 1 51 . 1 . 1 6 6 ILE N N 15 121.352 0.27 . . . . . . A 65 ILE N . 30912 1 52 . 1 . 1 7 7 PHE H H 1 8.147 0.03 . . . . . . A 66 PHE H . 30912 1 53 . 1 . 1 7 7 PHE HA H 1 4.478 0.18 . . . . . . A 66 PHE HA . 30912 1 54 . 1 . 1 7 7 PHE HB2 H 1 3.197 0.03 . . . . . . A 66 PHE HB2 . 30912 1 55 . 1 . 1 7 7 PHE HB3 H 1 3.007 0.06 . . . . . . A 66 PHE HB3 . 30912 1 56 . 1 . 1 7 7 PHE HD1 H 1 7.268 0.00 . . . . . . A 66 PHE HD1 . 30912 1 57 . 1 . 1 7 7 PHE HD2 H 1 7.268 0.00 . . . . . . A 66 PHE HD2 . 30912 1 58 . 1 . 1 7 7 PHE HE1 H 1 7.300 0.00 . . . . . . A 66 PHE HE1 . 30912 1 59 . 1 . 1 7 7 PHE HE2 H 1 7.303 0.00 . . . . . . A 66 PHE HE2 . 30912 1 60 . 1 . 1 7 7 PHE HZ H 1 7.210 0.01 . . . . . . A 66 PHE HZ . 30912 1 61 . 1 . 1 7 7 PHE CA C 13 55.519 0.10 . . . . . . A 66 PHE CA . 30912 1 62 . 1 . 1 7 7 PHE CB C 13 41.024 0.78 . . . . . . A 66 PHE CB . 30912 1 63 . 1 . 1 7 7 PHE CD1 C 13 132.059 0.00 . . . . . . A 66 PHE CD1 . 30912 1 64 . 1 . 1 7 7 PHE CD2 C 13 132.059 0.00 . . . . . . A 66 PHE CD2 . 30912 1 65 . 1 . 1 7 7 PHE CE1 C 13 131.279 0.01 . . . . . . A 66 PHE CE1 . 30912 1 66 . 1 . 1 7 7 PHE CE2 C 13 131.264 0.00 . . . . . . A 66 PHE CE2 . 30912 1 67 . 1 . 1 7 7 PHE CZ C 13 129.719 0.07 . . . . . . A 66 PHE CZ . 30912 1 68 . 1 . 1 7 7 PHE N N 15 124.320 0.11 . . . . . . A 66 PHE N . 30912 1 69 . 1 . 1 8 8 PRO HA H 1 4.461 0.00 . . . . . . A 67 PRO HA . 30912 1 70 . 1 . 1 8 8 PRO HB2 H 1 1.959 0.01 . . . . . . A 67 PRO HB2 . 30912 1 71 . 1 . 1 8 8 PRO HB3 H 1 2.307 0.01 . . . . . . A 67 PRO HB3 . 30912 1 72 . 1 . 1 8 8 PRO HG2 H 1 2.023 0.00 . . . . . . A 67 PRO HG2 . 30912 1 73 . 1 . 1 8 8 PRO HG3 H 1 1.993 0.01 . . . . . . A 67 PRO HG3 . 30912 1 74 . 1 . 1 8 8 PRO HD2 H 1 3.758 0.00 . . . . . . A 67 PRO HD2 . 30912 1 75 . 1 . 1 8 8 PRO HD3 H 1 3.567 0.00 . . . . . . A 67 PRO HD3 . 30912 1 76 . 1 . 1 8 8 PRO C C 13 177.061 0.00 . . . . . . A 67 PRO C . 30912 1 77 . 1 . 1 8 8 PRO CA C 13 63.311 0.11 . . . . . . A 67 PRO CA . 30912 1 78 . 1 . 1 8 8 PRO CB C 13 32.081 0.01 . . . . . . A 67 PRO CB . 30912 1 79 . 1 . 1 8 8 PRO CG C 13 27.402 0.07 . . . . . . A 67 PRO CG . 30912 1 80 . 1 . 1 8 8 PRO CD C 13 50.694 0.06 . . . . . . A 67 PRO CD . 30912 1 81 . 1 . 1 9 9 ARG H H 1 8.425 0.02 . . . . . . A 68 ARG H . 30912 1 82 . 1 . 1 9 9 ARG HA H 1 4.368 0.06 . . . . . . A 68 ARG HA . 30912 1 83 . 1 . 1 9 9 ARG HB2 H 1 1.884 0.02 . . . . . . A 68 ARG HB2 . 30912 1 84 . 1 . 1 9 9 ARG HB3 H 1 1.850 0.03 . . . . . . A 68 ARG HB3 . 30912 1 85 . 1 . 1 9 9 ARG HG2 H 1 1.707 0.00 . . . . . . A 68 ARG HG2 . 30912 1 86 . 1 . 1 9 9 ARG HG3 H 1 1.623 0.00 . . . . . . A 68 ARG HG3 . 30912 1 87 . 1 . 1 9 9 ARG HD2 H 1 3.249 0.01 . . . . . . A 68 ARG HD2 . 30912 1 88 . 1 . 1 9 9 ARG HD3 H 1 3.249 0.01 . . . . . . A 68 ARG HD3 . 30912 1 89 . 1 . 1 9 9 ARG C C 13 176.359 0.00 . . . . . . A 68 ARG C . 30912 1 90 . 1 . 1 9 9 ARG CA C 13 56.626 0.07 . . . . . . A 68 ARG CA . 30912 1 91 . 1 . 1 9 9 ARG CB C 13 30.791 0.04 . . . . . . A 68 ARG CB . 30912 1 92 . 1 . 1 9 9 ARG CG C 13 27.146 0.00 . . . . . . A 68 ARG CG . 30912 1 93 . 1 . 1 9 9 ARG CD C 13 43.480 0.00 . . . . . . A 68 ARG CD . 30912 1 94 . 1 . 1 9 9 ARG N N 15 121.125 0.09 . . . . . . A 68 ARG N . 30912 1 95 . 1 . 1 10 10 ASP H H 1 8.312 0.02 . . . . . . A 69 ASP H . 30912 1 96 . 1 . 1 10 10 ASP HA H 1 4.655 0.00 . . . . . . A 69 ASP HA . 30912 1 97 . 1 . 1 10 10 ASP HB2 H 1 2.736 0.02 . . . . . . A 69 ASP HB2 . 30912 1 98 . 1 . 1 10 10 ASP HB3 H 1 2.720 0.03 . . . . . . A 69 ASP HB3 . 30912 1 99 . 1 . 1 10 10 ASP C C 13 176.473 0.00 . . . . . . A 69 ASP C . 30912 1 100 . 1 . 1 10 10 ASP CA C 13 54.471 0.06 . . . . . . A 69 ASP CA . 30912 1 101 . 1 . 1 10 10 ASP CB C 13 41.199 0.09 . . . . . . A 69 ASP CB . 30912 1 102 . 1 . 1 10 10 ASP N N 15 120.279 0.10 . . . . . . A 69 ASP N . 30912 1 103 . 1 . 1 11 11 SER H H 1 8.262 0.02 . . . . . . A 70 SER H . 30912 1 104 . 1 . 1 11 11 SER HA H 1 4.397 0.00 . . . . . . A 70 SER HA . 30912 1 105 . 1 . 1 11 11 SER HB2 H 1 3.972 0.00 . . . . . . A 70 SER HB2 . 30912 1 106 . 1 . 1 11 11 SER HB3 H 1 3.898 0.00 . . . . . . A 70 SER HB3 . 30912 1 107 . 1 . 1 11 11 SER CA C 13 59.409 0.12 . . . . . . A 70 SER CA . 30912 1 108 . 1 . 1 11 11 SER CB C 13 63.894 0.04 . . . . . . A 70 SER CB . 30912 1 109 . 1 . 1 11 11 SER N N 15 116.414 0.09 . . . . . . A 70 SER N . 30912 1 110 . 1 . 1 12 12 ASN HA H 1 4.736 0.01 . . . . . . A 71 ASN HA . 30912 1 111 . 1 . 1 12 12 ASN HB2 H 1 2.909 0.01 . . . . . . A 71 ASN HB2 . 30912 1 112 . 1 . 1 12 12 ASN HB3 H 1 2.909 0.01 . . . . . . A 71 ASN HB3 . 30912 1 113 . 1 . 1 12 12 ASN C C 13 175.975 0.00 . . . . . . A 71 ASN C . 30912 1 114 . 1 . 1 12 12 ASN CA C 13 54.054 0.08 . . . . . . A 71 ASN CA . 30912 1 115 . 1 . 1 12 12 ASN CB C 13 38.797 0.03 . . . . . . A 71 ASN CB . 30912 1 116 . 1 . 1 13 13 LEU H H 1 8.108 0.02 . . . . . . A 72 LEU H . 30912 1 117 . 1 . 1 13 13 LEU HA H 1 4.151 0.00 . . . . . . A 72 LEU HA . 30912 1 118 . 1 . 1 13 13 LEU HB2 H 1 1.585 0.02 . . . . . . A 72 LEU HB2 . 30912 1 119 . 1 . 1 13 13 LEU HB3 H 1 1.731 0.01 . . . . . . A 72 LEU HB3 . 30912 1 120 . 1 . 1 13 13 LEU HG H 1 1.680 0.00 . . . . . . A 72 LEU HG . 30912 1 121 . 1 . 1 13 13 LEU HD11 H 1 0.919 0.00 . . . . . . A 72 LEU HD11 . 30912 1 122 . 1 . 1 13 13 LEU HD12 H 1 0.919 0.00 . . . . . . A 72 LEU HD12 . 30912 1 123 . 1 . 1 13 13 LEU HD13 H 1 0.919 0.00 . . . . . . A 72 LEU HD13 . 30912 1 124 . 1 . 1 13 13 LEU HD21 H 1 0.852 0.01 . . . . . . A 72 LEU HD21 . 30912 1 125 . 1 . 1 13 13 LEU HD22 H 1 0.852 0.01 . . . . . . A 72 LEU HD22 . 30912 1 126 . 1 . 1 13 13 LEU HD23 H 1 0.852 0.01 . . . . . . A 72 LEU HD23 . 30912 1 127 . 1 . 1 13 13 LEU C C 13 177.924 0.00 . . . . . . A 72 LEU C . 30912 1 128 . 1 . 1 13 13 LEU CA C 13 57.058 0.06 . . . . . . A 72 LEU CA . 30912 1 129 . 1 . 1 13 13 LEU CB C 13 42.161 0.03 . . . . . . A 72 LEU CB . 30912 1 130 . 1 . 1 13 13 LEU CG C 13 27.215 0.00 . . . . . . A 72 LEU CG . 30912 1 131 . 1 . 1 13 13 LEU CD1 C 13 25.292 0.11 . . . . . . A 72 LEU CD1 . 30912 1 132 . 1 . 1 13 13 LEU CD2 C 13 24.028 0.07 . . . . . . A 72 LEU CD2 . 30912 1 133 . 1 . 1 13 13 LEU N N 15 121.482 0.08 . . . . . . A 72 LEU N . 30912 1 134 . 1 . 1 14 14 LYS H H 1 8.054 0.02 . . . . . . A 73 LYS H . 30912 1 135 . 1 . 1 14 14 LYS HA H 1 3.995 0.00 . . . . . . A 73 LYS HA . 30912 1 136 . 1 . 1 14 14 LYS HB2 H 1 1.879 0.02 . . . . . . A 73 LYS HB2 . 30912 1 137 . 1 . 1 14 14 LYS HB3 H 1 1.786 0.01 . . . . . . A 73 LYS HB3 . 30912 1 138 . 1 . 1 14 14 LYS HG2 H 1 1.428 0.00 . . . . . . A 73 LYS HG2 . 30912 1 139 . 1 . 1 14 14 LYS HG3 H 1 1.402 0.00 . . . . . . A 73 LYS HG3 . 30912 1 140 . 1 . 1 14 14 LYS HD2 H 1 1.702 0.00 . . . . . . A 73 LYS HD2 . 30912 1 141 . 1 . 1 14 14 LYS HD3 H 1 1.648 0.00 . . . . . . A 73 LYS HD3 . 30912 1 142 . 1 . 1 14 14 LYS HE2 H 1 2.929 0.00 . . . . . . A 73 LYS HE2 . 30912 1 143 . 1 . 1 14 14 LYS HE3 H 1 2.897 0.00 . . . . . . A 73 LYS HE3 . 30912 1 144 . 1 . 1 14 14 LYS C C 13 177.307 0.00 . . . . . . A 73 LYS C . 30912 1 145 . 1 . 1 14 14 LYS CA C 13 59.100 0.05 . . . . . . A 73 LYS CA . 30912 1 146 . 1 . 1 14 14 LYS CB C 13 32.229 0.02 . . . . . . A 73 LYS CB . 30912 1 147 . 1 . 1 14 14 LYS CG C 13 24.942 0.01 . . . . . . A 73 LYS CG . 30912 1 148 . 1 . 1 14 14 LYS CD C 13 29.930 0.00 . . . . . . A 73 LYS CD . 30912 1 149 . 1 . 1 14 14 LYS CE C 13 41.479 0.00 . . . . . . A 73 LYS CE . 30912 1 150 . 1 . 1 14 14 LYS N N 15 119.351 0.09 . . . . . . A 73 LYS N . 30912 1 151 . 1 . 1 15 15 ASP H H 1 8.021 0.02 . . . . . . A 74 ASP H . 30912 1 152 . 1 . 1 15 15 ASP HA H 1 4.324 0.14 . . . . . . A 74 ASP HA . 30912 1 153 . 1 . 1 15 15 ASP HB2 H 1 2.718 0.02 . . . . . . A 74 ASP HB2 . 30912 1 154 . 1 . 1 15 15 ASP HB3 H 1 2.698 0.02 . . . . . . A 74 ASP HB3 . 30912 1 155 . 1 . 1 15 15 ASP C C 13 177.762 0.00 . . . . . . A 74 ASP C . 30912 1 156 . 1 . 1 15 15 ASP CA C 13 56.341 0.07 . . . . . . A 74 ASP CA . 30912 1 157 . 1 . 1 15 15 ASP CB C 13 41.057 0.07 . . . . . . A 74 ASP CB . 30912 1 158 . 1 . 1 15 15 ASP N N 15 118.548 0.08 . . . . . . A 74 ASP N . 30912 1 159 . 1 . 1 16 16 LYS H H 1 7.875 0.02 . . . . . . A 75 LYS H . 30912 1 160 . 1 . 1 16 16 LYS HA H 1 4.095 0.00 . . . . . . A 75 LYS HA . 30912 1 161 . 1 . 1 16 16 LYS HB2 H 1 1.777 0.01 . . . . . . A 75 LYS HB2 . 30912 1 162 . 1 . 1 16 16 LYS HB3 H 1 1.779 0.01 . . . . . . A 75 LYS HB3 . 30912 1 163 . 1 . 1 16 16 LYS HG2 H 1 1.385 0.00 . . . . . . A 75 LYS HG2 . 30912 1 164 . 1 . 1 16 16 LYS HG3 H 1 1.343 0.00 . . . . . . A 75 LYS HG3 . 30912 1 165 . 1 . 1 16 16 LYS HD2 H 1 1.643 0.01 . . . . . . A 75 LYS HD2 . 30912 1 166 . 1 . 1 16 16 LYS HD3 H 1 1.603 0.01 . . . . . . A 75 LYS HD3 . 30912 1 167 . 1 . 1 16 16 LYS HE2 H 1 2.946 0.00 . . . . . . A 75 LYS HE2 . 30912 1 168 . 1 . 1 16 16 LYS HE3 H 1 2.965 0.00 . . . . . . A 75 LYS HE3 . 30912 1 169 . 1 . 1 16 16 LYS C C 13 177.393 0.00 . . . . . . A 75 LYS C . 30912 1 170 . 1 . 1 16 16 LYS CA C 13 58.019 0.19 . . . . . . A 75 LYS CA . 30912 1 171 . 1 . 1 16 16 LYS CB C 13 32.610 0.11 . . . . . . A 75 LYS CB . 30912 1 172 . 1 . 1 16 16 LYS CG C 13 24.995 0.00 . . . . . . A 75 LYS CG . 30912 1 173 . 1 . 1 16 16 LYS CD C 13 29.175 0.00 . . . . . . A 75 LYS CD . 30912 1 174 . 1 . 1 16 16 LYS CE C 13 42.032 0.07 . . . . . . A 75 LYS CE . 30912 1 175 . 1 . 1 16 16 LYS N N 15 118.757 0.08 . . . . . . A 75 LYS N . 30912 1 176 . 1 . 1 17 17 PHE H H 1 7.711 0.01 . . . . . . A 76 PHE H . 30912 1 177 . 1 . 1 17 17 PHE HA H 1 4.510 0.00 . . . . . . A 76 PHE HA . 30912 1 178 . 1 . 1 17 17 PHE HB2 H 1 3.199 0.00 . . . . . . A 76 PHE HB2 . 30912 1 179 . 1 . 1 17 17 PHE HB3 H 1 3.114 0.00 . . . . . . A 76 PHE HB3 . 30912 1 180 . 1 . 1 17 17 PHE HD1 H 1 6.888 0.01 . . . . . . A 76 PHE HD1 . 30912 1 181 . 1 . 1 17 17 PHE HD2 H 1 6.902 0.00 . . . . . . A 76 PHE HD2 . 30912 1 182 . 1 . 1 17 17 PHE HE1 H 1 7.182 0.00 . . . . . . A 76 PHE HE1 . 30912 1 183 . 1 . 1 17 17 PHE HZ H 1 6.692 0.01 . . . . . . A 76 PHE HZ . 30912 1 184 . 1 . 1 17 17 PHE C C 13 176.858 0.00 . . . . . . A 76 PHE C . 30912 1 185 . 1 . 1 17 17 PHE CA C 13 60.385 0.17 . . . . . . A 76 PHE CA . 30912 1 186 . 1 . 1 17 17 PHE CB C 13 39.703 0.01 . . . . . . A 76 PHE CB . 30912 1 187 . 1 . 1 17 17 PHE CD1 C 13 131.052 0.00 . . . . . . A 76 PHE CD1 . 30912 1 188 . 1 . 1 17 17 PHE CD2 C 13 131.051 0.00 . . . . . . A 76 PHE CD2 . 30912 1 189 . 1 . 1 17 17 PHE CE1 C 13 132.309 0.00 . . . . . . A 76 PHE CE1 . 30912 1 190 . 1 . 1 17 17 PHE CZ C 13 129.047 0.03 . . . . . . A 76 PHE CZ . 30912 1 191 . 1 . 1 17 17 PHE N N 15 117.530 0.10 . . . . . . A 76 PHE N . 30912 1 192 . 1 . 1 18 18 ILE H H 1 8.115 0.03 . . . . . . A 77 ILE H . 30912 1 193 . 1 . 1 18 18 ILE HA H 1 3.885 0.01 . . . . . . A 77 ILE HA . 30912 1 194 . 1 . 1 18 18 ILE HB H 1 1.946 0.00 . . . . . . A 77 ILE HB . 30912 1 195 . 1 . 1 18 18 ILE HG12 H 1 1.571 0.01 . . . . . . A 77 ILE HG12 . 30912 1 196 . 1 . 1 18 18 ILE HG13 H 1 1.213 0.00 . . . . . . A 77 ILE HG13 . 30912 1 197 . 1 . 1 18 18 ILE HG21 H 1 0.898 0.00 . . . . . . A 77 ILE HG21 . 30912 1 198 . 1 . 1 18 18 ILE HG22 H 1 0.898 0.00 . . . . . . A 77 ILE HG22 . 30912 1 199 . 1 . 1 18 18 ILE HG23 H 1 0.898 0.00 . . . . . . A 77 ILE HG23 . 30912 1 200 . 1 . 1 18 18 ILE HD11 H 1 0.840 0.01 . . . . . . A 77 ILE HD11 . 30912 1 201 . 1 . 1 18 18 ILE HD12 H 1 0.840 0.01 . . . . . . A 77 ILE HD12 . 30912 1 202 . 1 . 1 18 18 ILE HD13 H 1 0.840 0.01 . . . . . . A 77 ILE HD13 . 30912 1 203 . 1 . 1 18 18 ILE C C 13 176.018 0.00 . . . . . . A 77 ILE C . 30912 1 204 . 1 . 1 18 18 ILE CA C 13 63.474 0.10 . . . . . . A 77 ILE CA . 30912 1 205 . 1 . 1 18 18 ILE CB C 13 38.067 0.08 . . . . . . A 77 ILE CB . 30912 1 206 . 1 . 1 18 18 ILE CG1 C 13 28.538 0.05 . . . . . . A 77 ILE CG1 . 30912 1 207 . 1 . 1 18 18 ILE CG2 C 13 17.640 0.03 . . . . . . A 77 ILE CG2 . 30912 1 208 . 1 . 1 18 18 ILE CD1 C 13 13.184 0.04 . . . . . . A 77 ILE CD1 . 30912 1 209 . 1 . 1 18 18 ILE N N 15 118.969 0.15 . . . . . . A 77 ILE N . 30912 1 210 . 1 . 1 19 19 LYS H H 1 7.938 0.03 . . . . . . A 78 LYS H . 30912 1 211 . 1 . 1 19 19 LYS HA H 1 4.060 0.00 . . . . . . A 78 LYS HA . 30912 1 212 . 1 . 1 19 19 LYS HB2 H 1 1.707 0.00 . . . . . . A 78 LYS HB2 . 30912 1 213 . 1 . 1 19 19 LYS HB3 H 1 1.707 0.00 . . . . . . A 78 LYS HB3 . 30912 1 214 . 1 . 1 19 19 LYS C C 13 175.364 0.00 . . . . . . A 78 LYS C . 30912 1 215 . 1 . 1 19 19 LYS CA C 13 61.104 0.00 . . . . . . A 78 LYS CA . 30912 1 216 . 1 . 1 19 19 LYS N N 15 120.910 0.20 . . . . . . A 78 LYS N . 30912 1 217 . 1 . 1 20 20 HIS H H 1 8.143 0.02 . . . . . . A 79 HIS H . 30912 1 218 . 1 . 1 20 20 HIS HA H 1 4.356 0.01 . . . . . . A 79 HIS HA . 30912 1 219 . 1 . 1 20 20 HIS HB2 H 1 2.893 0.01 . . . . . . A 79 HIS HB2 . 30912 1 220 . 1 . 1 20 20 HIS HB3 H 1 2.870 0.00 . . . . . . A 79 HIS HB3 . 30912 1 221 . 1 . 1 20 20 HIS HD2 H 1 7.127 0.00 . . . . . . A 79 HIS HD2 . 30912 1 222 . 1 . 1 20 20 HIS HE1 H 1 7.720 0.00 . . . . . . A 79 HIS HE1 . 30912 1 223 . 1 . 1 20 20 HIS CA C 13 57.980 0.10 . . . . . . A 79 HIS CA . 30912 1 224 . 1 . 1 20 20 HIS CB C 13 30.739 0.04 . . . . . . A 79 HIS CB . 30912 1 225 . 1 . 1 20 20 HIS CD2 C 13 119.962 0.00 . . . . . . A 79 HIS CD2 . 30912 1 226 . 1 . 1 20 20 HIS CE1 C 13 138.333 0.00 . . . . . . A 79 HIS CE1 . 30912 1 227 . 1 . 1 20 20 HIS N N 15 123.263 0.08 . . . . . . A 79 HIS N . 30912 1 228 . 1 . 1 21 21 PHE HA H 1 4.540 0.02 . . . . . . A 80 PHE HA . 30912 1 229 . 1 . 1 21 21 PHE HB2 H 1 3.020 0.01 . . . . . . A 80 PHE HB2 . 30912 1 230 . 1 . 1 21 21 PHE HB3 H 1 2.669 0.01 . . . . . . A 80 PHE HB3 . 30912 1 231 . 1 . 1 21 21 PHE HD1 H 1 7.187 0.00 . . . . . . A 80 PHE HD1 . 30912 1 232 . 1 . 1 21 21 PHE HD2 H 1 7.188 0.00 . . . . . . A 80 PHE HD2 . 30912 1 233 . 1 . 1 21 21 PHE HE1 H 1 7.159 0.00 . . . . . . A 80 PHE HE1 . 30912 1 234 . 1 . 1 21 21 PHE HE2 H 1 7.159 0.00 . . . . . . A 80 PHE HE2 . 30912 1 235 . 1 . 1 21 21 PHE HZ H 1 7.177 0.00 . . . . . . A 80 PHE HZ . 30912 1 236 . 1 . 1 21 21 PHE C C 13 175.634 0.00 . . . . . . A 80 PHE C . 30912 1 237 . 1 . 1 21 21 PHE CA C 13 58.475 0.04 . . . . . . A 80 PHE CA . 30912 1 238 . 1 . 1 21 21 PHE CB C 13 39.545 0.02 . . . . . . A 80 PHE CB . 30912 1 239 . 1 . 1 21 21 PHE CD1 C 13 131.481 0.15 . . . . . . A 80 PHE CD1 . 30912 1 240 . 1 . 1 21 21 PHE CD2 C 13 131.659 0.00 . . . . . . A 80 PHE CD2 . 30912 1 241 . 1 . 1 21 21 PHE CE1 C 13 131.189 0.00 . . . . . . A 80 PHE CE1 . 30912 1 242 . 1 . 1 21 21 PHE CE2 C 13 131.189 0.00 . . . . . . A 80 PHE CE2 . 30912 1 243 . 1 . 1 21 21 PHE CZ C 13 129.247 0.00 . . . . . . A 80 PHE CZ . 30912 1 244 . 1 . 1 22 22 THR H H 1 7.794 0.01 . . . . . . A 81 THR H . 30912 1 245 . 1 . 1 22 22 THR HA H 1 4.449 0.01 . . . . . . A 81 THR HA . 30912 1 246 . 1 . 1 22 22 THR HB H 1 4.309 0.01 . . . . . . A 81 THR HB . 30912 1 247 . 1 . 1 22 22 THR HG21 H 1 1.209 0.01 . . . . . . A 81 THR HG21 . 30912 1 248 . 1 . 1 22 22 THR HG22 H 1 1.209 0.01 . . . . . . A 81 THR HG22 . 30912 1 249 . 1 . 1 22 22 THR HG23 H 1 1.209 0.01 . . . . . . A 81 THR HG23 . 30912 1 250 . 1 . 1 22 22 THR C C 13 174.585 0.01 . . . . . . A 81 THR C . 30912 1 251 . 1 . 1 22 22 THR CA C 13 61.807 0.08 . . . . . . A 81 THR CA . 30912 1 252 . 1 . 1 22 22 THR CB C 13 70.021 0.08 . . . . . . A 81 THR CB . 30912 1 253 . 1 . 1 22 22 THR CG2 C 13 21.604 0.08 . . . . . . A 81 THR CG2 . 30912 1 254 . 1 . 1 22 22 THR N N 15 112.656 0.09 . . . . . . A 81 THR N . 30912 1 255 . 1 . 1 23 23 GLY H H 1 7.854 0.02 . . . . . . A 82 GLY H . 30912 1 256 . 1 . 1 23 23 GLY HA2 H 1 4.125 0.00 . . . . . . A 82 GLY HA2 . 30912 1 257 . 1 . 1 23 23 GLY HA3 H 1 4.091 0.00 . . . . . . A 82 GLY HA3 . 30912 1 258 . 1 . 1 23 23 GLY CA C 13 44.824 0.02 . . . . . . A 82 GLY CA . 30912 1 259 . 1 . 1 23 23 GLY N N 15 111.023 0.14 . . . . . . A 82 GLY N . 30912 1 260 . 1 . 1 24 24 PRO HA H 1 4.489 0.00 . . . . . . A 83 PRO HA . 30912 1 261 . 1 . 1 24 24 PRO HB2 H 1 2.208 0.00 . . . . . . A 83 PRO HB2 . 30912 1 262 . 1 . 1 24 24 PRO HB3 H 1 2.003 0.00 . . . . . . A 83 PRO HB3 . 30912 1 263 . 1 . 1 24 24 PRO HG2 H 1 2.034 0.01 . . . . . . A 83 PRO HG2 . 30912 1 264 . 1 . 1 24 24 PRO HG3 H 1 2.001 0.00 . . . . . . A 83 PRO HG3 . 30912 1 265 . 1 . 1 24 24 PRO HD2 H 1 3.696 0.00 . . . . . . A 83 PRO HD2 . 30912 1 266 . 1 . 1 24 24 PRO HD3 H 1 3.603 0.00 . . . . . . A 83 PRO HD3 . 30912 1 267 . 1 . 1 24 24 PRO C C 13 176.685 0.00 . . . . . . A 83 PRO C . 30912 1 268 . 1 . 1 24 24 PRO CA C 13 63.364 0.05 . . . . . . A 83 PRO CA . 30912 1 269 . 1 . 1 24 24 PRO CB C 13 31.601 0.04 . . . . . . A 83 PRO CB . 30912 1 270 . 1 . 1 24 24 PRO CG C 13 27.350 0.05 . . . . . . A 83 PRO CG . 30912 1 271 . 1 . 1 24 24 PRO CD C 13 49.900 0.08 . . . . . . A 83 PRO CD . 30912 1 272 . 1 . 1 25 25 VAL H H 1 7.945 0.01 . . . . . . A 84 VAL H . 30912 1 273 . 1 . 1 25 25 VAL HA H 1 4.108 0.01 . . . . . . A 84 VAL HA . 30912 1 274 . 1 . 1 25 25 VAL HB H 1 1.911 0.01 . . . . . . A 84 VAL HB . 30912 1 275 . 1 . 1 25 25 VAL HG11 H 1 0.701 0.03 . . . . . . A 84 VAL HG11 . 30912 1 276 . 1 . 1 25 25 VAL HG12 H 1 0.701 0.03 . . . . . . A 84 VAL HG12 . 30912 1 277 . 1 . 1 25 25 VAL HG13 H 1 0.701 0.03 . . . . . . A 84 VAL HG13 . 30912 1 278 . 1 . 1 25 25 VAL HG21 H 1 0.774 0.04 . . . . . . A 84 VAL HG21 . 30912 1 279 . 1 . 1 25 25 VAL HG22 H 1 0.774 0.04 . . . . . . A 84 VAL HG22 . 30912 1 280 . 1 . 1 25 25 VAL HG23 H 1 0.774 0.04 . . . . . . A 84 VAL HG23 . 30912 1 281 . 1 . 1 25 25 VAL C C 13 175.598 0.00 . . . . . . A 84 VAL C . 30912 1 282 . 1 . 1 25 25 VAL CA C 13 61.996 0.05 . . . . . . A 84 VAL CA . 30912 1 283 . 1 . 1 25 25 VAL CB C 13 33.012 0.01 . . . . . . A 84 VAL CB . 30912 1 284 . 1 . 1 25 25 VAL CG1 C 13 21.465 0.23 . . . . . . A 84 VAL CG1 . 30912 1 285 . 1 . 1 25 25 VAL CG2 C 13 20.896 0.24 . . . . . . A 84 VAL CG2 . 30912 1 286 . 1 . 1 25 25 VAL N N 15 119.927 0.13 . . . . . . A 84 VAL N . 30912 1 287 . 1 . 1 26 26 THR H H 1 8.008 0.02 . . . . . . A 85 THR H . 30912 1 288 . 1 . 1 26 26 THR HA H 1 4.330 0.00 . . . . . . A 85 THR HA . 30912 1 289 . 1 . 1 26 26 THR HB H 1 4.114 0.00 . . . . . . A 85 THR HB . 30912 1 290 . 1 . 1 26 26 THR HG21 H 1 1.157 0.01 . . . . . . A 85 THR HG21 . 30912 1 291 . 1 . 1 26 26 THR HG22 H 1 1.157 0.01 . . . . . . A 85 THR HG22 . 30912 1 292 . 1 . 1 26 26 THR HG23 H 1 1.157 0.01 . . . . . . A 85 THR HG23 . 30912 1 293 . 1 . 1 26 26 THR C C 13 173.766 0.00 . . . . . . A 85 THR C . 30912 1 294 . 1 . 1 26 26 THR CA C 13 61.419 0.12 . . . . . . A 85 THR CA . 30912 1 295 . 1 . 1 26 26 THR CB C 13 70.023 0.05 . . . . . . A 85 THR CB . 30912 1 296 . 1 . 1 26 26 THR CG2 C 13 21.621 0.07 . . . . . . A 85 THR CG2 . 30912 1 297 . 1 . 1 26 26 THR N N 15 117.605 0.14 . . . . . . A 85 THR N . 30912 1 298 . 1 . 1 27 27 PHE H H 1 8.231 0.03 . . . . . . A 86 PHE H . 30912 1 299 . 1 . 1 27 27 PHE HA H 1 4.897 0.01 . . . . . . A 86 PHE HA . 30912 1 300 . 1 . 1 27 27 PHE HB2 H 1 3.200 0.00 . . . . . . A 86 PHE HB2 . 30912 1 301 . 1 . 1 27 27 PHE HB3 H 1 2.971 0.01 . . . . . . A 86 PHE HB3 . 30912 1 302 . 1 . 1 27 27 PHE HD1 H 1 7.188 0.00 . . . . . . A 86 PHE HD1 . 30912 1 303 . 1 . 1 27 27 PHE HD2 H 1 7.194 0.00 . . . . . . A 86 PHE HD2 . 30912 1 304 . 1 . 1 27 27 PHE HE1 H 1 7.154 0.00 . . . . . . A 86 PHE HE1 . 30912 1 305 . 1 . 1 27 27 PHE HZ H 1 7.187 0.01 . . . . . . A 86 PHE HZ . 30912 1 306 . 1 . 1 27 27 PHE C C 13 175.664 0.00 . . . . . . A 86 PHE C . 30912 1 307 . 1 . 1 27 27 PHE CA C 13 56.470 0.05 . . . . . . A 86 PHE CA . 30912 1 308 . 1 . 1 27 27 PHE CB C 13 40.547 0.05 . . . . . . A 86 PHE CB . 30912 1 309 . 1 . 1 27 27 PHE CD1 C 13 131.964 0.10 . . . . . . A 86 PHE CD1 . 30912 1 310 . 1 . 1 27 27 PHE CD2 C 13 132.089 0.00 . . . . . . A 86 PHE CD2 . 30912 1 311 . 1 . 1 27 27 PHE CE1 C 13 131.244 0.00 . . . . . . A 86 PHE CE1 . 30912 1 312 . 1 . 1 27 27 PHE CZ C 13 129.530 0.22 . . . . . . A 86 PHE CZ . 30912 1 313 . 1 . 1 27 27 PHE N N 15 123.260 0.14 . . . . . . A 86 PHE N . 30912 1 314 . 1 . 1 28 28 SER H H 1 8.891 0.04 . . . . . . A 87 SER H . 30912 1 315 . 1 . 1 28 28 SER HA H 1 4.819 0.02 . . . . . . A 87 SER HA . 30912 1 316 . 1 . 1 28 28 SER HB2 H 1 4.442 0.01 . . . . . . A 87 SER HB2 . 30912 1 317 . 1 . 1 28 28 SER HB3 H 1 4.161 0.01 . . . . . . A 87 SER HB3 . 30912 1 318 . 1 . 1 28 28 SER CA C 13 56.569 0.04 . . . . . . A 87 SER CA . 30912 1 319 . 1 . 1 28 28 SER CB C 13 63.363 0.08 . . . . . . A 87 SER CB . 30912 1 320 . 1 . 1 28 28 SER N N 15 119.659 0.17 . . . . . . A 87 SER N . 30912 1 321 . 1 . 1 29 29 PRO HA H 1 4.421 0.00 . . . . . . A 88 PRO HA . 30912 1 322 . 1 . 1 29 29 PRO HB2 H 1 2.479 0.00 . . . . . . A 88 PRO HB2 . 30912 1 323 . 1 . 1 29 29 PRO HB3 H 1 2.056 0.01 . . . . . . A 88 PRO HB3 . 30912 1 324 . 1 . 1 29 29 PRO HG2 H 1 2.255 0.05 . . . . . . A 88 PRO HG2 . 30912 1 325 . 1 . 1 29 29 PRO HG3 H 1 2.136 0.00 . . . . . . A 88 PRO HG3 . 30912 1 326 . 1 . 1 29 29 PRO HD2 H 1 4.025 0.00 . . . . . . A 88 PRO HD2 . 30912 1 327 . 1 . 1 29 29 PRO HD3 H 1 4.021 0.00 . . . . . . A 88 PRO HD3 . 30912 1 328 . 1 . 1 29 29 PRO C C 13 179.351 0.00 . . . . . . A 88 PRO C . 30912 1 329 . 1 . 1 29 29 PRO CA C 13 65.679 0.09 . . . . . . A 88 PRO CA . 30912 1 330 . 1 . 1 29 29 PRO CB C 13 31.873 0.09 . . . . . . A 88 PRO CB . 30912 1 331 . 1 . 1 29 29 PRO CG C 13 28.011 0.04 . . . . . . A 88 PRO CG . 30912 1 332 . 1 . 1 29 29 PRO CD C 13 50.860 0.07 . . . . . . A 88 PRO CD . 30912 1 333 . 1 . 1 30 30 GLU H H 1 8.627 0.01 . . . . . . A 89 GLU H . 30912 1 334 . 1 . 1 30 30 GLU HA H 1 4.160 0.01 . . . . . . A 89 GLU HA . 30912 1 335 . 1 . 1 30 30 GLU HB2 H 1 2.135 0.01 . . . . . . A 89 GLU HB2 . 30912 1 336 . 1 . 1 30 30 GLU HB3 H 1 2.061 0.01 . . . . . . A 89 GLU HB3 . 30912 1 337 . 1 . 1 30 30 GLU HG2 H 1 2.460 0.00 . . . . . . A 89 GLU HG2 . 30912 1 338 . 1 . 1 30 30 GLU HG3 H 1 2.380 0.00 . . . . . . A 89 GLU HG3 . 30912 1 339 . 1 . 1 30 30 GLU C C 13 178.448 0.00 . . . . . . A 89 GLU C . 30912 1 340 . 1 . 1 30 30 GLU CA C 13 59.598 0.09 . . . . . . A 89 GLU CA . 30912 1 341 . 1 . 1 30 30 GLU CB C 13 29.576 0.09 . . . . . . A 89 GLU CB . 30912 1 342 . 1 . 1 30 30 GLU CG C 13 36.642 0.02 . . . . . . A 89 GLU CG . 30912 1 343 . 1 . 1 30 30 GLU N N 15 117.513 0.09 . . . . . . A 89 GLU N . 30912 1 344 . 1 . 1 31 31 CYS H H 1 7.871 0.01 . . . . . . A 90 CYS H . 30912 1 345 . 1 . 1 31 31 CYS HA H 1 4.166 0.00 . . . . . . A 90 CYS HA . 30912 1 346 . 1 . 1 31 31 CYS HB2 H 1 3.571 0.00 . . . . . . A 90 CYS HB2 . 30912 1 347 . 1 . 1 31 31 CYS HB3 H 1 3.380 0.02 . . . . . . A 90 CYS HB3 . 30912 1 348 . 1 . 1 31 31 CYS C C 13 176.180 0.00 . . . . . . A 90 CYS C . 30912 1 349 . 1 . 1 31 31 CYS CA C 13 59.751 0.02 . . . . . . A 90 CYS CA . 30912 1 350 . 1 . 1 31 31 CYS CB C 13 41.734 0.03 . . . . . . A 90 CYS CB . 30912 1 351 . 1 . 1 31 31 CYS N N 15 119.042 0.13 . . . . . . A 90 CYS N . 30912 1 352 . 1 . 1 32 32 SER H H 1 8.443 0.01 . . . . . . A 91 SER H . 30912 1 353 . 1 . 1 32 32 SER HA H 1 4.002 0.00 . . . . . . A 91 SER HA . 30912 1 354 . 1 . 1 32 32 SER HB2 H 1 3.998 0.00 . . . . . . A 91 SER HB2 . 30912 1 355 . 1 . 1 32 32 SER HB3 H 1 3.998 0.00 . . . . . . A 91 SER HB3 . 30912 1 356 . 1 . 1 32 32 SER C C 13 176.916 0.00 . . . . . . A 91 SER C . 30912 1 357 . 1 . 1 32 32 SER CB C 13 62.785 0.07 . . . . . . A 91 SER CB . 30912 1 358 . 1 . 1 32 32 SER N N 15 113.986 0.09 . . . . . . A 91 SER N . 30912 1 359 . 1 . 1 33 33 LYS H H 1 8.218 0.02 . . . . . . A 92 LYS H . 30912 1 360 . 1 . 1 33 33 LYS HA H 1 4.167 0.00 . . . . . . A 92 LYS HA . 30912 1 361 . 1 . 1 33 33 LYS HB2 H 1 1.923 0.01 . . . . . . A 92 LYS HB2 . 30912 1 362 . 1 . 1 33 33 LYS HB3 H 1 1.926 0.01 . . . . . . A 92 LYS HB3 . 30912 1 363 . 1 . 1 33 33 LYS HG2 H 1 1.516 0.00 . . . . . . A 92 LYS HG2 . 30912 1 364 . 1 . 1 33 33 LYS HG3 H 1 1.310 0.00 . . . . . . A 92 LYS HG3 . 30912 1 365 . 1 . 1 33 33 LYS HD2 H 1 1.687 0.00 . . . . . . A 92 LYS HD2 . 30912 1 366 . 1 . 1 33 33 LYS HD3 H 1 1.704 0.00 . . . . . . A 92 LYS HD3 . 30912 1 367 . 1 . 1 33 33 LYS HE2 H 1 2.903 0.00 . . . . . . A 92 LYS HE2 . 30912 1 368 . 1 . 1 33 33 LYS HE3 H 1 2.920 0.00 . . . . . . A 92 LYS HE3 . 30912 1 369 . 1 . 1 33 33 LYS C C 13 179.413 0.00 . . . . . . A 92 LYS C . 30912 1 370 . 1 . 1 33 33 LYS CA C 13 59.653 0.08 . . . . . . A 92 LYS CA . 30912 1 371 . 1 . 1 33 33 LYS CB C 13 32.356 0.07 . . . . . . A 92 LYS CB . 30912 1 372 . 1 . 1 33 33 LYS CG C 13 24.867 0.03 . . . . . . A 92 LYS CG . 30912 1 373 . 1 . 1 33 33 LYS CD C 13 29.467 0.00 . . . . . . A 92 LYS CD . 30912 1 374 . 1 . 1 33 33 LYS CE C 13 42.079 0.02 . . . . . . A 92 LYS CE . 30912 1 375 . 1 . 1 33 33 LYS N N 15 121.781 0.10 . . . . . . A 92 LYS N . 30912 1 376 . 1 . 1 34 34 HIS H H 1 7.875 0.02 . . . . . . A 93 HIS H . 30912 1 377 . 1 . 1 34 34 HIS HA H 1 4.401 0.00 . . . . . . A 93 HIS HA . 30912 1 378 . 1 . 1 34 34 HIS HB2 H 1 3.185 0.01 . . . . . . A 93 HIS HB2 . 30912 1 379 . 1 . 1 34 34 HIS HB3 H 1 3.028 0.02 . . . . . . A 93 HIS HB3 . 30912 1 380 . 1 . 1 34 34 HIS HD2 H 1 7.126 0.00 . . . . . . A 93 HIS HD2 . 30912 1 381 . 1 . 1 34 34 HIS HE1 H 1 7.816 0.00 . . . . . . A 93 HIS HE1 . 30912 1 382 . 1 . 1 34 34 HIS C C 13 177.913 0.00 . . . . . . A 93 HIS C . 30912 1 383 . 1 . 1 34 34 HIS CA C 13 60.145 0.17 . . . . . . A 93 HIS CA . 30912 1 384 . 1 . 1 34 34 HIS CB C 13 31.102 0.08 . . . . . . A 93 HIS CB . 30912 1 385 . 1 . 1 34 34 HIS CD2 C 13 119.976 0.00 . . . . . . A 93 HIS CD2 . 30912 1 386 . 1 . 1 34 34 HIS CE1 C 13 138.315 0.00 . . . . . . A 93 HIS CE1 . 30912 1 387 . 1 . 1 34 34 HIS N N 15 119.417 0.12 . . . . . . A 93 HIS N . 30912 1 388 . 1 . 1 35 35 PHE H H 1 8.685 0.02 . . . . . . A 94 PHE H . 30912 1 389 . 1 . 1 35 35 PHE HA H 1 3.928 0.01 . . . . . . A 94 PHE HA . 30912 1 390 . 1 . 1 35 35 PHE HB2 H 1 3.126 0.00 . . . . . . A 94 PHE HB2 . 30912 1 391 . 1 . 1 35 35 PHE HB3 H 1 3.009 0.01 . . . . . . A 94 PHE HB3 . 30912 1 392 . 1 . 1 35 35 PHE HD1 H 1 6.997 0.09 . . . . . . A 94 PHE HD1 . 30912 1 393 . 1 . 1 35 35 PHE HD2 H 1 7.107 0.00 . . . . . . A 94 PHE HD2 . 30912 1 394 . 1 . 1 35 35 PHE HE1 H 1 7.104 0.00 . . . . . . A 94 PHE HE1 . 30912 1 395 . 1 . 1 35 35 PHE HZ H 1 6.933 0.01 . . . . . . A 94 PHE HZ . 30912 1 396 . 1 . 1 35 35 PHE C C 13 177.042 0.00 . . . . . . A 94 PHE C . 30912 1 397 . 1 . 1 35 35 PHE CA C 13 62.328 0.04 . . . . . . A 94 PHE CA . 30912 1 398 . 1 . 1 35 35 PHE CB C 13 39.492 0.07 . . . . . . A 94 PHE CB . 30912 1 399 . 1 . 1 35 35 PHE CD1 C 13 131.408 0.24 . . . . . . A 94 PHE CD1 . 30912 1 400 . 1 . 1 35 35 PHE CD2 C 13 131.109 0.00 . . . . . . A 94 PHE CD2 . 30912 1 401 . 1 . 1 35 35 PHE CE1 C 13 131.109 0.00 . . . . . . A 94 PHE CE1 . 30912 1 402 . 1 . 1 35 35 PHE CZ C 13 129.208 0.01 . . . . . . A 94 PHE CZ . 30912 1 403 . 1 . 1 35 35 PHE N N 15 120.979 0.10 . . . . . . A 94 PHE N . 30912 1 404 . 1 . 1 36 36 HIS H H 1 8.301 0.01 . . . . . . A 95 HIS H . 30912 1 405 . 1 . 1 36 36 HIS HA H 1 4.056 0.01 . . . . . . A 95 HIS HA . 30912 1 406 . 1 . 1 36 36 HIS HB2 H 1 3.409 0.01 . . . . . . A 95 HIS HB2 . 30912 1 407 . 1 . 1 36 36 HIS HB3 H 1 3.325 0.00 . . . . . . A 95 HIS HB3 . 30912 1 408 . 1 . 1 36 36 HIS HD2 H 1 7.110 0.01 . . . . . . A 95 HIS HD2 . 30912 1 409 . 1 . 1 36 36 HIS HE1 H 1 7.813 0.00 . . . . . . A 95 HIS HE1 . 30912 1 410 . 1 . 1 36 36 HIS C C 13 177.127 0.00 . . . . . . A 95 HIS C . 30912 1 411 . 1 . 1 36 36 HIS CA C 13 61.255 0.05 . . . . . . A 95 HIS CA . 30912 1 412 . 1 . 1 36 36 HIS CB C 13 30.490 0.06 . . . . . . A 95 HIS CB . 30912 1 413 . 1 . 1 36 36 HIS CD2 C 13 120.807 0.00 . . . . . . A 95 HIS CD2 . 30912 1 414 . 1 . 1 36 36 HIS CE1 C 13 138.797 0.00 . . . . . . A 95 HIS CE1 . 30912 1 415 . 1 . 1 36 36 HIS N N 15 117.483 0.09 . . . . . . A 95 HIS N . 30912 1 416 . 1 . 1 37 37 ARG H H 1 7.919 0.01 . . . . . . A 96 ARG H . 30912 1 417 . 1 . 1 37 37 ARG HA H 1 4.143 0.02 . . . . . . A 96 ARG HA . 30912 1 418 . 1 . 1 37 37 ARG HB2 H 1 1.994 0.01 . . . . . . A 96 ARG HB2 . 30912 1 419 . 1 . 1 37 37 ARG HB3 H 1 1.995 0.01 . . . . . . A 96 ARG HB3 . 30912 1 420 . 1 . 1 37 37 ARG HG2 H 1 1.757 0.01 . . . . . . A 96 ARG HG2 . 30912 1 421 . 1 . 1 37 37 ARG HG3 H 1 1.623 0.01 . . . . . . A 96 ARG HG3 . 30912 1 422 . 1 . 1 37 37 ARG HD2 H 1 3.239 0.01 . . . . . . A 96 ARG HD2 . 30912 1 423 . 1 . 1 37 37 ARG HD3 H 1 3.144 0.03 . . . . . . A 96 ARG HD3 . 30912 1 424 . 1 . 1 37 37 ARG C C 13 178.806 0.00 . . . . . . A 96 ARG C . 30912 1 425 . 1 . 1 37 37 ARG CA C 13 59.501 0.11 . . . . . . A 96 ARG CA . 30912 1 426 . 1 . 1 37 37 ARG CB C 13 30.377 0.04 . . . . . . A 96 ARG CB . 30912 1 427 . 1 . 1 37 37 ARG CG C 13 27.306 0.06 . . . . . . A 96 ARG CG . 30912 1 428 . 1 . 1 37 37 ARG CD C 13 43.595 0.04 . . . . . . A 96 ARG CD . 30912 1 429 . 1 . 1 37 37 ARG N N 15 117.800 0.09 . . . . . . A 96 ARG N . 30912 1 430 . 1 . 1 38 38 LEU H H 1 8.127 0.01 . . . . . . A 97 LEU H . 30912 1 431 . 1 . 1 38 38 LEU HA H 1 4.098 0.01 . . . . . . A 97 LEU HA . 30912 1 432 . 1 . 1 38 38 LEU HB2 H 1 1.735 0.01 . . . . . . A 97 LEU HB2 . 30912 1 433 . 1 . 1 38 38 LEU HB3 H 1 1.440 0.00 . . . . . . A 97 LEU HB3 . 30912 1 434 . 1 . 1 38 38 LEU HG H 1 1.680 0.07 . . . . . . A 97 LEU HG . 30912 1 435 . 1 . 1 38 38 LEU HD11 H 1 0.782 0.16 . . . . . . A 97 LEU HD11 . 30912 1 436 . 1 . 1 38 38 LEU HD12 H 1 0.782 0.16 . . . . . . A 97 LEU HD12 . 30912 1 437 . 1 . 1 38 38 LEU HD13 H 1 0.782 0.16 . . . . . . A 97 LEU HD13 . 30912 1 438 . 1 . 1 38 38 LEU HD21 H 1 0.864 0.00 . . . . . . A 97 LEU HD21 . 30912 1 439 . 1 . 1 38 38 LEU HD22 H 1 0.864 0.00 . . . . . . A 97 LEU HD22 . 30912 1 440 . 1 . 1 38 38 LEU HD23 H 1 0.864 0.00 . . . . . . A 97 LEU HD23 . 30912 1 441 . 1 . 1 38 38 LEU C C 13 178.301 0.00 . . . . . . A 97 LEU C . 30912 1 442 . 1 . 1 38 38 LEU CA C 13 57.443 0.08 . . . . . . A 97 LEU CA . 30912 1 443 . 1 . 1 38 38 LEU CB C 13 42.625 0.02 . . . . . . A 97 LEU CB . 30912 1 444 . 1 . 1 38 38 LEU CG C 13 27.163 0.10 . . . . . . A 97 LEU CG . 30912 1 445 . 1 . 1 38 38 LEU CD1 C 13 25.878 0.32 . . . . . . A 97 LEU CD1 . 30912 1 446 . 1 . 1 38 38 LEU CD2 C 13 24.672 0.28 . . . . . . A 97 LEU CD2 . 30912 1 447 . 1 . 1 38 38 LEU N N 15 118.258 0.14 . . . . . . A 97 LEU N . 30912 1 448 . 1 . 1 39 39 TYR H H 1 8.451 0.02 . . . . . . A 98 TYR H . 30912 1 449 . 1 . 1 39 39 TYR HA H 1 3.925 0.01 . . . . . . A 98 TYR HA . 30912 1 450 . 1 . 1 39 39 TYR HB2 H 1 2.541 0.03 . . . . . . A 98 TYR HB2 . 30912 1 451 . 1 . 1 39 39 TYR HB3 H 1 2.245 0.02 . . . . . . A 98 TYR HB3 . 30912 1 452 . 1 . 1 39 39 TYR HD1 H 1 7.185 0.00 . . . . . . A 98 TYR HD1 . 30912 1 453 . 1 . 1 39 39 TYR HD2 H 1 7.186 0.00 . . . . . . A 98 TYR HD2 . 30912 1 454 . 1 . 1 39 39 TYR HE1 H 1 6.806 0.00 . . . . . . A 98 TYR HE1 . 30912 1 455 . 1 . 1 39 39 TYR HE2 H 1 6.807 0.00 . . . . . . A 98 TYR HE2 . 30912 1 456 . 1 . 1 39 39 TYR C C 13 176.018 0.00 . . . . . . A 98 TYR C . 30912 1 457 . 1 . 1 39 39 TYR CA C 13 61.453 0.10 . . . . . . A 98 TYR CA . 30912 1 458 . 1 . 1 39 39 TYR CB C 13 39.298 0.06 . . . . . . A 98 TYR CB . 30912 1 459 . 1 . 1 39 39 TYR CD1 C 13 132.738 0.01 . . . . . . A 98 TYR CD1 . 30912 1 460 . 1 . 1 39 39 TYR CD2 C 13 132.730 0.00 . . . . . . A 98 TYR CD2 . 30912 1 461 . 1 . 1 39 39 TYR CE1 C 13 118.248 0.00 . . . . . . A 98 TYR CE1 . 30912 1 462 . 1 . 1 39 39 TYR CE2 C 13 118.247 0.00 . . . . . . A 98 TYR CE2 . 30912 1 463 . 1 . 1 39 39 TYR N N 15 118.034 0.10 . . . . . . A 98 TYR N . 30912 1 464 . 1 . 1 40 40 TYR HA H 1 4.373 0.01 . . . . . . A 99 TYR HA . 30912 1 465 . 1 . 1 40 40 TYR HB2 H 1 3.087 0.01 . . . . . . A 99 TYR HB2 . 30912 1 466 . 1 . 1 40 40 TYR HB3 H 1 2.708 0.01 . . . . . . A 99 TYR HB3 . 30912 1 467 . 1 . 1 40 40 TYR HD1 H 1 7.104 0.01 . . . . . . A 99 TYR HD1 . 30912 1 468 . 1 . 1 40 40 TYR HD2 H 1 7.114 0.00 . . . . . . A 99 TYR HD2 . 30912 1 469 . 1 . 1 40 40 TYR HE1 H 1 6.865 0.00 . . . . . . A 99 TYR HE1 . 30912 1 470 . 1 . 1 40 40 TYR HE2 H 1 6.864 0.00 . . . . . . A 99 TYR HE2 . 30912 1 471 . 1 . 1 40 40 TYR C C 13 177.436 0.00 . . . . . . A 99 TYR C . 30912 1 472 . 1 . 1 40 40 TYR CA C 13 59.862 0.05 . . . . . . A 99 TYR CA . 30912 1 473 . 1 . 1 40 40 TYR CB C 13 38.675 0.03 . . . . . . A 99 TYR CB . 30912 1 474 . 1 . 1 40 40 TYR CD1 C 13 133.414 0.02 . . . . . . A 99 TYR CD1 . 30912 1 475 . 1 . 1 40 40 TYR CD2 C 13 133.409 0.00 . . . . . . A 99 TYR CD2 . 30912 1 476 . 1 . 1 40 40 TYR CE1 C 13 118.127 0.01 . . . . . . A 99 TYR CE1 . 30912 1 477 . 1 . 1 40 40 TYR CE2 C 13 118.118 0.02 . . . . . . A 99 TYR CE2 . 30912 1 478 . 1 . 1 41 41 ASN H H 1 7.738 0.01 . . . . . . A 100 ASN H . 30912 1 479 . 1 . 1 41 41 ASN HA H 1 5.147 0.01 . . . . . . A 100 ASN HA . 30912 1 480 . 1 . 1 41 41 ASN HB2 H 1 3.070 0.01 . . . . . . A 100 ASN HB2 . 30912 1 481 . 1 . 1 41 41 ASN HB3 H 1 2.926 0.01 . . . . . . A 100 ASN HB3 . 30912 1 482 . 1 . 1 41 41 ASN C C 13 175.110 0.00 . . . . . . A 100 ASN C . 30912 1 483 . 1 . 1 41 41 ASN CA C 13 53.360 0.06 . . . . . . A 100 ASN CA . 30912 1 484 . 1 . 1 41 41 ASN CB C 13 40.414 0.06 . . . . . . A 100 ASN CB . 30912 1 485 . 1 . 1 41 41 ASN N N 15 115.476 0.08 . . . . . . A 100 ASN N . 30912 1 486 . 1 . 1 42 42 THR H H 1 7.266 0.01 . . . . . . A 101 THR H . 30912 1 487 . 1 . 1 42 42 THR HB H 1 4.514 0.01 . . . . . . A 101 THR HB . 30912 1 488 . 1 . 1 42 42 THR HG21 H 1 1.386 0.01 . . . . . . A 101 THR HG21 . 30912 1 489 . 1 . 1 42 42 THR HG22 H 1 1.386 0.01 . . . . . . A 101 THR HG22 . 30912 1 490 . 1 . 1 42 42 THR HG23 H 1 1.386 0.01 . . . . . . A 101 THR HG23 . 30912 1 491 . 1 . 1 42 42 THR CA C 13 61.101 0.08 . . . . . . A 101 THR CA . 30912 1 492 . 1 . 1 42 42 THR CB C 13 71.439 0.06 . . . . . . A 101 THR CB . 30912 1 493 . 1 . 1 42 42 THR CG2 C 13 22.483 0.06 . . . . . . A 101 THR CG2 . 30912 1 494 . 1 . 1 42 42 THR N N 15 109.743 0.15 . . . . . . A 101 THR N . 30912 1 495 . 1 . 1 43 43 ARG H H 1 7.953 0.03 . . . . . . A 102 ARG H . 30912 1 496 . 1 . 1 43 43 ARG C C 13 175.597 0.00 . . . . . . A 102 ARG C . 30912 1 497 . 1 . 1 43 43 ARG CA C 13 57.952 0.01 . . . . . . A 102 ARG CA . 30912 1 498 . 1 . 1 43 43 ARG CB C 13 30.921 0.05 . . . . . . A 102 ARG CB . 30912 1 499 . 1 . 1 43 43 ARG N N 15 121.041 0.20 . . . . . . A 102 ARG N . 30912 1 500 . 1 . 1 44 44 GLU H H 1 7.822 0.01 . . . . . . A 103 GLU H . 30912 1 501 . 1 . 1 44 44 GLU HA H 1 4.021 0.00 . . . . . . A 103 GLU HA . 30912 1 502 . 1 . 1 44 44 GLU HB2 H 1 2.066 0.02 . . . . . . A 103 GLU HB2 . 30912 1 503 . 1 . 1 44 44 GLU HB3 H 1 1.749 0.00 . . . . . . A 103 GLU HB3 . 30912 1 504 . 1 . 1 44 44 GLU HG2 H 1 2.442 0.01 . . . . . . A 103 GLU HG2 . 30912 1 505 . 1 . 1 44 44 GLU HG3 H 1 2.122 0.00 . . . . . . A 103 GLU HG3 . 30912 1 506 . 1 . 1 44 44 GLU C C 13 176.559 0.00 . . . . . . A 103 GLU C . 30912 1 507 . 1 . 1 44 44 GLU CA C 13 61.248 0.14 . . . . . . A 103 GLU CA . 30912 1 508 . 1 . 1 44 44 GLU CB C 13 28.881 0.13 . . . . . . A 103 GLU CB . 30912 1 509 . 1 . 1 44 44 GLU CG C 13 38.672 0.02 . . . . . . A 103 GLU CG . 30912 1 510 . 1 . 1 44 44 GLU N N 15 117.065 0.13 . . . . . . A 103 GLU N . 30912 1 511 . 1 . 1 45 45 CYS H H 1 7.370 0.01 . . . . . . A 104 CYS H . 30912 1 512 . 1 . 1 45 45 CYS HA H 1 4.740 0.01 . . . . . . A 104 CYS HA . 30912 1 513 . 1 . 1 45 45 CYS HB2 H 1 3.017 0.00 . . . . . . A 104 CYS HB2 . 30912 1 514 . 1 . 1 45 45 CYS HB3 H 1 2.904 0.01 . . . . . . A 104 CYS HB3 . 30912 1 515 . 1 . 1 45 45 CYS C C 13 174.658 0.00 . . . . . . A 104 CYS C . 30912 1 516 . 1 . 1 45 45 CYS CA C 13 54.372 0.17 . . . . . . A 104 CYS CA . 30912 1 517 . 1 . 1 45 45 CYS CB C 13 43.143 0.12 . . . . . . A 104 CYS CB . 30912 1 518 . 1 . 1 45 45 CYS N N 15 109.838 0.10 . . . . . . A 104 CYS N . 30912 1 519 . 1 . 1 46 46 SER H H 1 7.735 0.01 . . . . . . A 105 SER H . 30912 1 520 . 1 . 1 46 46 SER HA H 1 4.596 0.00 . . . . . . A 105 SER HA . 30912 1 521 . 1 . 1 46 46 SER HB2 H 1 4.045 0.00 . . . . . . A 105 SER HB2 . 30912 1 522 . 1 . 1 46 46 SER HB3 H 1 3.942 0.01 . . . . . . A 105 SER HB3 . 30912 1 523 . 1 . 1 46 46 SER C C 13 174.000 0.00 . . . . . . A 105 SER C . 30912 1 524 . 1 . 1 46 46 SER CA C 13 59.141 0.03 . . . . . . A 105 SER CA . 30912 1 525 . 1 . 1 46 46 SER CB C 13 64.591 0.01 . . . . . . A 105 SER CB . 30912 1 526 . 1 . 1 46 46 SER N N 15 112.929 0.10 . . . . . . A 105 SER N . 30912 1 527 . 1 . 1 47 47 THR H H 1 7.201 0.02 . . . . . . A 106 THR H . 30912 1 528 . 1 . 1 47 47 THR HA H 1 4.875 0.01 . . . . . . A 106 THR HA . 30912 1 529 . 1 . 1 47 47 THR HB H 1 4.157 0.00 . . . . . . A 106 THR HB . 30912 1 530 . 1 . 1 47 47 THR HG21 H 1 0.992 0.01 . . . . . . A 106 THR HG21 . 30912 1 531 . 1 . 1 47 47 THR HG22 H 1 0.992 0.01 . . . . . . A 106 THR HG22 . 30912 1 532 . 1 . 1 47 47 THR HG23 H 1 0.992 0.01 . . . . . . A 106 THR HG23 . 30912 1 533 . 1 . 1 47 47 THR CA C 13 59.100 0.05 . . . . . . A 106 THR CA . 30912 1 534 . 1 . 1 47 47 THR CB C 13 70.252 0.07 . . . . . . A 106 THR CB . 30912 1 535 . 1 . 1 47 47 THR CG2 C 13 20.812 0.06 . . . . . . A 106 THR CG2 . 30912 1 536 . 1 . 1 47 47 THR N N 15 117.186 0.09 . . . . . . A 106 THR N . 30912 1 537 . 1 . 1 48 48 PRO HA H 1 3.496 0.00 . . . . . . A 107 PRO HA . 30912 1 538 . 1 . 1 48 48 PRO HB2 H 1 2.261 0.01 . . . . . . A 107 PRO HB2 . 30912 1 539 . 1 . 1 48 48 PRO HB3 H 1 1.923 0.00 . . . . . . A 107 PRO HB3 . 30912 1 540 . 1 . 1 48 48 PRO HG2 H 1 2.147 0.01 . . . . . . A 107 PRO HG2 . 30912 1 541 . 1 . 1 48 48 PRO HG3 H 1 2.123 0.00 . . . . . . A 107 PRO HG3 . 30912 1 542 . 1 . 1 48 48 PRO HD2 H 1 3.963 0.00 . . . . . . A 107 PRO HD2 . 30912 1 543 . 1 . 1 48 48 PRO HD3 H 1 3.900 0.00 . . . . . . A 107 PRO HD3 . 30912 1 544 . 1 . 1 48 48 PRO C C 13 178.103 0.00 . . . . . . A 107 PRO C . 30912 1 545 . 1 . 1 48 48 PRO CA C 13 65.195 0.09 . . . . . . A 107 PRO CA . 30912 1 546 . 1 . 1 48 48 PRO CB C 13 32.033 0.04 . . . . . . A 107 PRO CB . 30912 1 547 . 1 . 1 48 48 PRO CG C 13 27.634 0.21 . . . . . . A 107 PRO CG . 30912 1 548 . 1 . 1 48 48 PRO CD C 13 51.371 0.04 . . . . . . A 107 PRO CD . 30912 1 549 . 1 . 1 49 49 ALA H H 1 8.069 0.02 . . . . . . A 108 ALA H . 30912 1 550 . 1 . 1 49 49 ALA HA H 1 4.143 0.00 . . . . . . A 108 ALA HA . 30912 1 551 . 1 . 1 49 49 ALA HB1 H 1 1.134 0.01 . . . . . . A 108 ALA HB1 . 30912 1 552 . 1 . 1 49 49 ALA HB2 H 1 1.134 0.01 . . . . . . A 108 ALA HB2 . 30912 1 553 . 1 . 1 49 49 ALA HB3 H 1 1.134 0.01 . . . . . . A 108 ALA HB3 . 30912 1 554 . 1 . 1 49 49 ALA C C 13 178.937 0.00 . . . . . . A 108 ALA C . 30912 1 555 . 1 . 1 49 49 ALA CA C 13 54.363 0.05 . . . . . . A 108 ALA CA . 30912 1 556 . 1 . 1 49 49 ALA CB C 13 18.506 0.07 . . . . . . A 108 ALA CB . 30912 1 557 . 1 . 1 49 49 ALA N N 15 117.918 0.09 . . . . . . A 108 ALA N . 30912 1 558 . 1 . 1 50 50 TYR H H 1 7.880 0.01 . . . . . . A 109 TYR H . 30912 1 559 . 1 . 1 50 50 TYR HA H 1 5.245 0.01 . . . . . . A 109 TYR HA . 30912 1 560 . 1 . 1 50 50 TYR HB2 H 1 3.646 0.00 . . . . . . A 109 TYR HB2 . 30912 1 561 . 1 . 1 50 50 TYR HB3 H 1 3.278 0.01 . . . . . . A 109 TYR HB3 . 30912 1 562 . 1 . 1 50 50 TYR HD1 H 1 7.052 0.00 . . . . . . A 109 TYR HD1 . 30912 1 563 . 1 . 1 50 50 TYR HD2 H 1 7.054 0.00 . . . . . . A 109 TYR HD2 . 30912 1 564 . 1 . 1 50 50 TYR HE1 H 1 6.835 0.01 . . . . . . A 109 TYR HE1 . 30912 1 565 . 1 . 1 50 50 TYR HE2 H 1 6.835 0.01 . . . . . . A 109 TYR HE2 . 30912 1 566 . 1 . 1 50 50 TYR C C 13 176.578 0.00 . . . . . . A 109 TYR C . 30912 1 567 . 1 . 1 50 50 TYR CA C 13 55.170 0.13 . . . . . . A 109 TYR CA . 30912 1 568 . 1 . 1 50 50 TYR CB C 13 38.051 0.15 . . . . . . A 109 TYR CB . 30912 1 569 . 1 . 1 50 50 TYR CD1 C 13 131.781 0.02 . . . . . . A 109 TYR CD1 . 30912 1 570 . 1 . 1 50 50 TYR CD2 C 13 131.803 0.00 . . . . . . A 109 TYR CD2 . 30912 1 571 . 1 . 1 50 50 TYR CE1 C 13 118.264 0.01 . . . . . . A 109 TYR CE1 . 30912 1 572 . 1 . 1 50 50 TYR CE2 C 13 118.264 0.01 . . . . . . A 109 TYR CE2 . 30912 1 573 . 1 . 1 50 50 TYR N N 15 115.367 0.11 . . . . . . A 109 TYR N . 30912 1 574 . 1 . 1 51 51 TYR H H 1 7.712 0.01 . . . . . . A 110 TYR H . 30912 1 575 . 1 . 1 51 51 TYR HA H 1 3.941 0.00 . . . . . . A 110 TYR HA . 30912 1 576 . 1 . 1 51 51 TYR HB2 H 1 2.515 0.00 . . . . . . A 110 TYR HB2 . 30912 1 577 . 1 . 1 51 51 TYR HB3 H 1 2.263 0.00 . . . . . . A 110 TYR HB3 . 30912 1 578 . 1 . 1 51 51 TYR HD1 H 1 6.048 0.02 . . . . . . A 110 TYR HD1 . 30912 1 579 . 1 . 1 51 51 TYR HD2 H 1 6.492 0.34 . . . . . . A 110 TYR HD2 . 30912 1 580 . 1 . 1 51 51 TYR HE1 H 1 6.553 0.01 . . . . . . A 110 TYR HE1 . 30912 1 581 . 1 . 1 51 51 TYR HE2 H 1 6.553 0.01 . . . . . . A 110 TYR HE2 . 30912 1 582 . 1 . 1 51 51 TYR C C 13 176.733 0.00 . . . . . . A 110 TYR C . 30912 1 583 . 1 . 1 51 51 TYR CA C 13 61.251 0.00 . . . . . . A 110 TYR CA . 30912 1 584 . 1 . 1 51 51 TYR CB C 13 39.290 0.00 . . . . . . A 110 TYR CB . 30912 1 585 . 1 . 1 51 51 TYR CD1 C 13 132.521 0.02 . . . . . . A 110 TYR CD1 . 30912 1 586 . 1 . 1 51 51 TYR CD2 C 13 132.038 0.40 . . . . . . A 110 TYR CD2 . 30912 1 587 . 1 . 1 51 51 TYR CE1 C 13 118.058 0.01 . . . . . . A 110 TYR CE1 . 30912 1 588 . 1 . 1 51 51 TYR CE2 C 13 118.058 0.01 . . . . . . A 110 TYR CE2 . 30912 1 589 . 1 . 1 51 51 TYR N N 15 120.975 0.09 . . . . . . A 110 TYR N . 30912 1 590 . 1 . 1 52 52 LYS H H 1 7.864 0.01 . . . . . . A 111 LYS H . 30912 1 591 . 1 . 1 52 52 LYS HA H 1 3.954 0.00 . . . . . . A 111 LYS HA . 30912 1 592 . 1 . 1 52 52 LYS HB2 H 1 1.836 0.01 . . . . . . A 111 LYS HB2 . 30912 1 593 . 1 . 1 52 52 LYS HB3 H 1 1.836 0.01 . . . . . . A 111 LYS HB3 . 30912 1 594 . 1 . 1 52 52 LYS HG2 H 1 1.388 0.00 . . . . . . A 111 LYS HG2 . 30912 1 595 . 1 . 1 52 52 LYS HG3 H 1 1.326 0.00 . . . . . . A 111 LYS HG3 . 30912 1 596 . 1 . 1 52 52 LYS HD2 H 1 1.715 0.00 . . . . . . A 111 LYS HD2 . 30912 1 597 . 1 . 1 52 52 LYS HD3 H 1 1.730 0.00 . . . . . . A 111 LYS HD3 . 30912 1 598 . 1 . 1 52 52 LYS HE2 H 1 2.956 0.00 . . . . . . A 111 LYS HE2 . 30912 1 599 . 1 . 1 52 52 LYS HE3 H 1 2.939 0.00 . . . . . . A 111 LYS HE3 . 30912 1 600 . 1 . 1 52 52 LYS C C 13 179.482 0.00 . . . . . . A 111 LYS C . 30912 1 601 . 1 . 1 52 52 LYS CA C 13 60.218 0.02 . . . . . . A 111 LYS CA . 30912 1 602 . 1 . 1 52 52 LYS CB C 13 31.983 0.03 . . . . . . A 111 LYS CB . 30912 1 603 . 1 . 1 52 52 LYS CG C 13 25.502 0.02 . . . . . . A 111 LYS CG . 30912 1 604 . 1 . 1 52 52 LYS CD C 13 29.412 0.00 . . . . . . A 111 LYS CD . 30912 1 605 . 1 . 1 52 52 LYS CE C 13 42.171 0.02 . . . . . . A 111 LYS CE . 30912 1 606 . 1 . 1 52 52 LYS N N 15 110.811 0.11 . . . . . . A 111 LYS N . 30912 1 607 . 1 . 1 53 53 ARG H H 1 7.682 0.01 . . . . . . A 112 ARG H . 30912 1 608 . 1 . 1 53 53 ARG HA H 1 4.098 0.03 . . . . . . A 112 ARG HA . 30912 1 609 . 1 . 1 53 53 ARG HB2 H 1 1.912 0.07 . . . . . . A 112 ARG HB2 . 30912 1 610 . 1 . 1 53 53 ARG HB3 H 1 1.860 0.12 . . . . . . A 112 ARG HB3 . 30912 1 611 . 1 . 1 53 53 ARG HG2 H 1 1.873 0.00 . . . . . . A 112 ARG HG2 . 30912 1 612 . 1 . 1 53 53 ARG HG3 H 1 1.709 0.00 . . . . . . A 112 ARG HG3 . 30912 1 613 . 1 . 1 53 53 ARG HD2 H 1 3.111 0.00 . . . . . . A 112 ARG HD2 . 30912 1 614 . 1 . 1 53 53 ARG HD3 H 1 2.889 0.00 . . . . . . A 112 ARG HD3 . 30912 1 615 . 1 . 1 53 53 ARG C C 13 177.976 0.00 . . . . . . A 112 ARG C . 30912 1 616 . 1 . 1 53 53 ARG CA C 13 58.891 0.18 . . . . . . A 112 ARG CA . 30912 1 617 . 1 . 1 53 53 ARG CB C 13 30.205 0.05 . . . . . . A 112 ARG CB . 30912 1 618 . 1 . 1 53 53 ARG CG C 13 27.266 0.00 . . . . . . A 112 ARG CG . 30912 1 619 . 1 . 1 53 53 ARG CD C 13 42.032 0.02 . . . . . . A 112 ARG CD . 30912 1 620 . 1 . 1 53 53 ARG N N 15 119.283 0.10 . . . . . . A 112 ARG N . 30912 1 621 . 1 . 1 54 54 CYS H H 1 8.109 0.02 . . . . . . A 113 CYS H . 30912 1 622 . 1 . 1 54 54 CYS HA H 1 4.001 0.00 . . . . . . A 113 CYS HA . 30912 1 623 . 1 . 1 54 54 CYS HB2 H 1 3.336 0.00 . . . . . . A 113 CYS HB2 . 30912 1 624 . 1 . 1 54 54 CYS HB3 H 1 3.081 0.01 . . . . . . A 113 CYS HB3 . 30912 1 625 . 1 . 1 54 54 CYS C C 13 175.430 0.00 . . . . . . A 113 CYS C . 30912 1 626 . 1 . 1 54 54 CYS CA C 13 59.486 0.27 . . . . . . A 113 CYS CA . 30912 1 627 . 1 . 1 54 54 CYS CB C 13 41.357 0.16 . . . . . . A 113 CYS CB . 30912 1 628 . 1 . 1 54 54 CYS N N 15 118.647 0.15 . . . . . . A 113 CYS N . 30912 1 629 . 1 . 1 55 55 ALA H H 1 8.533 0.01 . . . . . . A 114 ALA H . 30912 1 630 . 1 . 1 55 55 ALA HA H 1 3.931 0.00 . . . . . . A 114 ALA HA . 30912 1 631 . 1 . 1 55 55 ALA HB1 H 1 1.476 0.01 . . . . . . A 114 ALA HB1 . 30912 1 632 . 1 . 1 55 55 ALA HB2 H 1 1.476 0.01 . . . . . . A 114 ALA HB2 . 30912 1 633 . 1 . 1 55 55 ALA HB3 H 1 1.476 0.01 . . . . . . A 114 ALA HB3 . 30912 1 634 . 1 . 1 55 55 ALA C C 13 180.183 0.00 . . . . . . A 114 ALA C . 30912 1 635 . 1 . 1 55 55 ALA CA C 13 55.693 0.04 . . . . . . A 114 ALA CA . 30912 1 636 . 1 . 1 55 55 ALA CB C 13 18.173 0.07 . . . . . . A 114 ALA CB . 30912 1 637 . 1 . 1 55 55 ALA N N 15 119.626 0.09 . . . . . . A 114 ALA N . 30912 1 638 . 1 . 1 56 56 ARG H H 1 7.808 0.02 . . . . . . A 115 ARG H . 30912 1 639 . 1 . 1 56 56 ARG HA H 1 4.208 0.07 . . . . . . A 115 ARG HA . 30912 1 640 . 1 . 1 56 56 ARG HB2 H 1 1.998 0.00 . . . . . . A 115 ARG HB2 . 30912 1 641 . 1 . 1 56 56 ARG HB3 H 1 1.918 0.00 . . . . . . A 115 ARG HB3 . 30912 1 642 . 1 . 1 56 56 ARG HG2 H 1 1.825 0.00 . . . . . . A 115 ARG HG2 . 30912 1 643 . 1 . 1 56 56 ARG HG3 H 1 1.666 0.00 . . . . . . A 115 ARG HG3 . 30912 1 644 . 1 . 1 56 56 ARG HD2 H 1 3.235 0.00 . . . . . . A 115 ARG HD2 . 30912 1 645 . 1 . 1 56 56 ARG HD3 H 1 3.148 0.00 . . . . . . A 115 ARG HD3 . 30912 1 646 . 1 . 1 56 56 ARG C C 13 178.651 0.00 . . . . . . A 115 ARG C . 30912 1 647 . 1 . 1 56 56 ARG CA C 13 56.430 0.10 . . . . . . A 115 ARG CA . 30912 1 648 . 1 . 1 56 56 ARG CB C 13 30.127 0.15 . . . . . . A 115 ARG CB . 30912 1 649 . 1 . 1 56 56 ARG CG C 13 27.377 0.00 . . . . . . A 115 ARG CG . 30912 1 650 . 1 . 1 56 56 ARG CD C 13 43.603 0.00 . . . . . . A 115 ARG CD . 30912 1 651 . 1 . 1 56 56 ARG N N 15 119.015 0.11 . . . . . . A 115 ARG N . 30912 1 652 . 1 . 1 57 57 LEU H H 1 7.916 0.02 . . . . . . A 116 LEU H . 30912 1 653 . 1 . 1 57 57 LEU HA H 1 4.072 0.00 . . . . . . A 116 LEU HA . 30912 1 654 . 1 . 1 57 57 LEU HB2 H 1 2.022 0.00 . . . . . . A 116 LEU HB2 . 30912 1 655 . 1 . 1 57 57 LEU HB3 H 1 1.630 0.01 . . . . . . A 116 LEU HB3 . 30912 1 656 . 1 . 1 57 57 LEU HG H 1 1.869 0.01 . . . . . . A 116 LEU HG . 30912 1 657 . 1 . 1 57 57 LEU HD11 H 1 0.924 0.00 . . . . . . A 116 LEU HD11 . 30912 1 658 . 1 . 1 57 57 LEU HD12 H 1 0.924 0.00 . . . . . . A 116 LEU HD12 . 30912 1 659 . 1 . 1 57 57 LEU HD13 H 1 0.924 0.00 . . . . . . A 116 LEU HD13 . 30912 1 660 . 1 . 1 57 57 LEU HD21 H 1 0.925 0.00 . . . . . . A 116 LEU HD21 . 30912 1 661 . 1 . 1 57 57 LEU HD22 H 1 0.925 0.00 . . . . . . A 116 LEU HD22 . 30912 1 662 . 1 . 1 57 57 LEU HD23 H 1 0.925 0.00 . . . . . . A 116 LEU HD23 . 30912 1 663 . 1 . 1 57 57 LEU C C 13 179.593 0.00 . . . . . . A 116 LEU C . 30912 1 664 . 1 . 1 57 57 LEU CA C 13 58.267 0.06 . . . . . . A 116 LEU CA . 30912 1 665 . 1 . 1 57 57 LEU CB C 13 42.192 0.04 . . . . . . A 116 LEU CB . 30912 1 666 . 1 . 1 57 57 LEU CG C 13 27.463 0.01 . . . . . . A 116 LEU CG . 30912 1 667 . 1 . 1 57 57 LEU CD1 C 13 25.215 0.07 . . . . . . A 116 LEU CD1 . 30912 1 668 . 1 . 1 57 57 LEU CD2 C 13 23.692 0.08 . . . . . . A 116 LEU CD2 . 30912 1 669 . 1 . 1 57 57 LEU N N 15 120.673 0.09 . . . . . . A 116 LEU N . 30912 1 670 . 1 . 1 58 58 LEU H H 1 8.517 0.02 . . . . . . A 117 LEU H . 30912 1 671 . 1 . 1 58 58 LEU HA H 1 3.996 0.00 . . . . . . A 117 LEU HA . 30912 1 672 . 1 . 1 58 58 LEU HB2 H 1 1.918 0.02 . . . . . . A 117 LEU HB2 . 30912 1 673 . 1 . 1 58 58 LEU HB3 H 1 1.363 0.01 . . . . . . A 117 LEU HB3 . 30912 1 674 . 1 . 1 58 58 LEU HG H 1 2.010 0.01 . . . . . . A 117 LEU HG . 30912 1 675 . 1 . 1 58 58 LEU HD11 H 1 0.913 0.01 . . . . . . A 117 LEU HD11 . 30912 1 676 . 1 . 1 58 58 LEU HD12 H 1 0.913 0.01 . . . . . . A 117 LEU HD12 . 30912 1 677 . 1 . 1 58 58 LEU HD13 H 1 0.913 0.01 . . . . . . A 117 LEU HD13 . 30912 1 678 . 1 . 1 58 58 LEU HD21 H 1 0.820 0.01 . . . . . . A 117 LEU HD21 . 30912 1 679 . 1 . 1 58 58 LEU HD22 H 1 0.820 0.01 . . . . . . A 117 LEU HD22 . 30912 1 680 . 1 . 1 58 58 LEU HD23 H 1 0.820 0.01 . . . . . . A 117 LEU HD23 . 30912 1 681 . 1 . 1 58 58 LEU C C 13 179.027 0.00 . . . . . . A 117 LEU C . 30912 1 682 . 1 . 1 58 58 LEU CA C 13 57.972 0.08 . . . . . . A 117 LEU CA . 30912 1 683 . 1 . 1 58 58 LEU CB C 13 41.806 0.04 . . . . . . A 117 LEU CB . 30912 1 684 . 1 . 1 58 58 LEU CG C 13 27.133 0.02 . . . . . . A 117 LEU CG . 30912 1 685 . 1 . 1 58 58 LEU CD1 C 13 27.344 0.10 . . . . . . A 117 LEU CD1 . 30912 1 686 . 1 . 1 58 58 LEU CD2 C 13 23.547 0.02 . . . . . . A 117 LEU CD2 . 30912 1 687 . 1 . 1 58 58 LEU N N 15 118.862 0.10 . . . . . . A 117 LEU N . 30912 1 688 . 1 . 1 59 59 THR H H 1 8.294 0.01 . . . . . . A 118 THR H . 30912 1 689 . 1 . 1 59 59 THR HA H 1 3.932 0.00 . . . . . . A 118 THR HA . 30912 1 690 . 1 . 1 59 59 THR HB H 1 4.370 0.00 . . . . . . A 118 THR HB . 30912 1 691 . 1 . 1 59 59 THR HG21 H 1 1.302 0.01 . . . . . . A 118 THR HG21 . 30912 1 692 . 1 . 1 59 59 THR HG22 H 1 1.302 0.01 . . . . . . A 118 THR HG22 . 30912 1 693 . 1 . 1 59 59 THR HG23 H 1 1.302 0.01 . . . . . . A 118 THR HG23 . 30912 1 694 . 1 . 1 59 59 THR C C 13 175.589 0.00 . . . . . . A 118 THR C . 30912 1 695 . 1 . 1 59 59 THR CA C 13 67.384 0.07 . . . . . . A 118 THR CA . 30912 1 696 . 1 . 1 59 59 THR CB C 13 68.841 0.19 . . . . . . A 118 THR CB . 30912 1 697 . 1 . 1 59 59 THR CG2 C 13 21.580 0.07 . . . . . . A 118 THR CG2 . 30912 1 698 . 1 . 1 59 59 THR N N 15 115.862 0.16 . . . . . . A 118 THR N . 30912 1 699 . 1 . 1 60 60 ARG H H 1 7.805 0.01 . . . . . . A 119 ARG H . 30912 1 700 . 1 . 1 60 60 ARG HA H 1 4.018 0.02 . . . . . . A 119 ARG HA . 30912 1 701 . 1 . 1 60 60 ARG HB2 H 1 1.961 0.01 . . . . . . A 119 ARG HB2 . 30912 1 702 . 1 . 1 60 60 ARG HB3 H 1 1.961 0.01 . . . . . . A 119 ARG HB3 . 30912 1 703 . 1 . 1 60 60 ARG HG2 H 1 1.831 0.01 . . . . . . A 119 ARG HG2 . 30912 1 704 . 1 . 1 60 60 ARG HG3 H 1 1.699 0.01 . . . . . . A 119 ARG HG3 . 30912 1 705 . 1 . 1 60 60 ARG C C 13 179.029 0.00 . . . . . . A 119 ARG C . 30912 1 706 . 1 . 1 60 60 ARG CA C 13 59.089 0.10 . . . . . . A 119 ARG CA . 30912 1 707 . 1 . 1 60 60 ARG CB C 13 29.990 0.06 . . . . . . A 119 ARG CB . 30912 1 708 . 1 . 1 60 60 ARG CG C 13 27.529 0.07 . . . . . . A 119 ARG CG . 30912 1 709 . 1 . 1 60 60 ARG CD C 13 43.779 0.00 . . . . . . A 119 ARG CD . 30912 1 710 . 1 . 1 60 60 ARG N N 15 119.576 0.09 . . . . . . A 119 ARG N . 30912 1 711 . 1 . 1 61 61 LEU H H 1 7.658 0.01 . . . . . . A 120 LEU H . 30912 1 712 . 1 . 1 61 61 LEU HA H 1 4.090 0.00 . . . . . . A 120 LEU HA . 30912 1 713 . 1 . 1 61 61 LEU HB2 H 1 1.886 0.01 . . . . . . A 120 LEU HB2 . 30912 1 714 . 1 . 1 61 61 LEU HB3 H 1 1.468 0.01 . . . . . . A 120 LEU HB3 . 30912 1 715 . 1 . 1 61 61 LEU HG H 1 1.617 0.01 . . . . . . A 120 LEU HG . 30912 1 716 . 1 . 1 61 61 LEU HD11 H 1 0.604 0.15 . . . . . . A 120 LEU HD11 . 30912 1 717 . 1 . 1 61 61 LEU HD12 H 1 0.604 0.15 . . . . . . A 120 LEU HD12 . 30912 1 718 . 1 . 1 61 61 LEU HD13 H 1 0.604 0.15 . . . . . . A 120 LEU HD13 . 30912 1 719 . 1 . 1 61 61 LEU HD21 H 1 0.863 0.01 . . . . . . A 120 LEU HD21 . 30912 1 720 . 1 . 1 61 61 LEU HD22 H 1 0.863 0.01 . . . . . . A 120 LEU HD22 . 30912 1 721 . 1 . 1 61 61 LEU HD23 H 1 0.863 0.01 . . . . . . A 120 LEU HD23 . 30912 1 722 . 1 . 1 61 61 LEU C C 13 179.698 0.00 . . . . . . A 120 LEU C . 30912 1 723 . 1 . 1 61 61 LEU CA C 13 57.745 0.06 . . . . . . A 120 LEU CA . 30912 1 724 . 1 . 1 61 61 LEU CB C 13 41.317 0.03 . . . . . . A 120 LEU CB . 30912 1 725 . 1 . 1 61 61 LEU CG C 13 27.144 0.17 . . . . . . A 120 LEU CG . 30912 1 726 . 1 . 1 61 61 LEU CD1 C 13 26.022 0.09 . . . . . . A 120 LEU CD1 . 30912 1 727 . 1 . 1 61 61 LEU CD2 C 13 23.987 0.06 . . . . . . A 120 LEU CD2 . 30912 1 728 . 1 . 1 61 61 LEU N N 15 119.199 0.11 . . . . . . A 120 LEU N . 30912 1 729 . 1 . 1 62 62 ALA H H 1 8.373 0.02 . . . . . . A 121 ALA H . 30912 1 730 . 1 . 1 62 62 ALA HA H 1 4.040 0.00 . . . . . . A 121 ALA HA . 30912 1 731 . 1 . 1 62 62 ALA HB1 H 1 1.623 0.01 . . . . . . A 121 ALA HB1 . 30912 1 732 . 1 . 1 62 62 ALA HB2 H 1 1.623 0.01 . . . . . . A 121 ALA HB2 . 30912 1 733 . 1 . 1 62 62 ALA HB3 H 1 1.623 0.01 . . . . . . A 121 ALA HB3 . 30912 1 734 . 1 . 1 62 62 ALA C C 13 178.044 0.00 . . . . . . A 121 ALA C . 30912 1 735 . 1 . 1 62 62 ALA CA C 13 55.563 0.04 . . . . . . A 121 ALA CA . 30912 1 736 . 1 . 1 62 62 ALA CB C 13 19.061 0.08 . . . . . . A 121 ALA CB . 30912 1 737 . 1 . 1 62 62 ALA N N 15 121.680 0.09 . . . . . . A 121 ALA N . 30912 1 738 . 1 . 1 63 63 VAL H H 1 7.453 0.02 . . . . . . A 122 VAL H . 30912 1 739 . 1 . 1 63 63 VAL HA H 1 4.455 0.00 . . . . . . A 122 VAL HA . 30912 1 740 . 1 . 1 63 63 VAL HB H 1 2.478 0.00 . . . . . . A 122 VAL HB . 30912 1 741 . 1 . 1 63 63 VAL HG11 H 1 1.015 0.00 . . . . . . A 122 VAL HG11 . 30912 1 742 . 1 . 1 63 63 VAL HG12 H 1 1.015 0.00 . . . . . . A 122 VAL HG12 . 30912 1 743 . 1 . 1 63 63 VAL HG13 H 1 1.015 0.00 . . . . . . A 122 VAL HG13 . 30912 1 744 . 1 . 1 63 63 VAL HG21 H 1 1.027 0.01 . . . . . . A 122 VAL HG21 . 30912 1 745 . 1 . 1 63 63 VAL HG22 H 1 1.027 0.01 . . . . . . A 122 VAL HG22 . 30912 1 746 . 1 . 1 63 63 VAL HG23 H 1 1.027 0.01 . . . . . . A 122 VAL HG23 . 30912 1 747 . 1 . 1 63 63 VAL C C 13 176.194 0.00 . . . . . . A 122 VAL C . 30912 1 748 . 1 . 1 63 63 VAL CA C 13 60.961 0.04 . . . . . . A 122 VAL CA . 30912 1 749 . 1 . 1 63 63 VAL CB C 13 31.441 0.05 . . . . . . A 122 VAL CB . 30912 1 750 . 1 . 1 63 63 VAL CG1 C 13 21.099 0.04 . . . . . . A 122 VAL CG1 . 30912 1 751 . 1 . 1 63 63 VAL CG2 C 13 18.776 0.05 . . . . . . A 122 VAL CG2 . 30912 1 752 . 1 . 1 63 63 VAL N N 15 106.228 0.09 . . . . . . A 122 VAL N . 30912 1 753 . 1 . 1 64 64 SER H H 1 7.718 0.01 . . . . . . A 123 SER H . 30912 1 754 . 1 . 1 64 64 SER HA H 1 4.797 0.00 . . . . . . A 123 SER HA . 30912 1 755 . 1 . 1 64 64 SER HB2 H 1 4.374 0.01 . . . . . . A 123 SER HB2 . 30912 1 756 . 1 . 1 64 64 SER HB3 H 1 4.266 0.00 . . . . . . A 123 SER HB3 . 30912 1 757 . 1 . 1 64 64 SER CA C 13 57.803 0.08 . . . . . . A 123 SER CA . 30912 1 758 . 1 . 1 64 64 SER CB C 13 63.403 0.06 . . . . . . A 123 SER CB . 30912 1 759 . 1 . 1 64 64 SER N N 15 120.491 0.11 . . . . . . A 123 SER N . 30912 1 760 . 1 . 1 65 65 PRO HA H 1 4.525 0.00 . . . . . . A 124 PRO HA . 30912 1 761 . 1 . 1 65 65 PRO HB2 H 1 2.474 0.00 . . . . . . A 124 PRO HB2 . 30912 1 762 . 1 . 1 65 65 PRO HB3 H 1 1.977 0.01 . . . . . . A 124 PRO HB3 . 30912 1 763 . 1 . 1 65 65 PRO HD2 H 1 3.907 0.00 . . . . . . A 124 PRO HD2 . 30912 1 764 . 1 . 1 65 65 PRO HD3 H 1 3.894 0.00 . . . . . . A 124 PRO HD3 . 30912 1 765 . 1 . 1 65 65 PRO C C 13 177.715 0.00 . . . . . . A 124 PRO C . 30912 1 766 . 1 . 1 65 65 PRO CA C 13 64.902 0.05 . . . . . . A 124 PRO CA . 30912 1 767 . 1 . 1 65 65 PRO CB C 13 31.887 0.03 . . . . . . A 124 PRO CB . 30912 1 768 . 1 . 1 65 65 PRO CG C 13 27.712 0.18 . . . . . . A 124 PRO CG . 30912 1 769 . 1 . 1 65 65 PRO CD C 13 50.900 0.08 . . . . . . A 124 PRO CD . 30912 1 770 . 1 . 1 66 66 LEU H H 1 7.391 0.01 . . . . . . A 125 LEU H . 30912 1 771 . 1 . 1 66 66 LEU HA H 1 4.155 0.00 . . . . . . A 125 LEU HA . 30912 1 772 . 1 . 1 66 66 LEU HB2 H 1 1.621 0.00 . . . . . . A 125 LEU HB2 . 30912 1 773 . 1 . 1 66 66 LEU HB3 H 1 1.419 0.00 . . . . . . A 125 LEU HB3 . 30912 1 774 . 1 . 1 66 66 LEU HG H 1 1.538 0.00 . . . . . . A 125 LEU HG . 30912 1 775 . 1 . 1 66 66 LEU HD11 H 1 0.674 0.01 . . . . . . A 125 LEU HD11 . 30912 1 776 . 1 . 1 66 66 LEU HD12 H 1 0.674 0.01 . . . . . . A 125 LEU HD12 . 30912 1 777 . 1 . 1 66 66 LEU HD13 H 1 0.674 0.01 . . . . . . A 125 LEU HD13 . 30912 1 778 . 1 . 1 66 66 LEU HD21 H 1 0.672 0.01 . . . . . . A 125 LEU HD21 . 30912 1 779 . 1 . 1 66 66 LEU HD22 H 1 0.672 0.01 . . . . . . A 125 LEU HD22 . 30912 1 780 . 1 . 1 66 66 LEU HD23 H 1 0.672 0.01 . . . . . . A 125 LEU HD23 . 30912 1 781 . 1 . 1 66 66 LEU C C 13 178.044 0.00 . . . . . . A 125 LEU C . 30912 1 782 . 1 . 1 66 66 LEU CA C 13 57.283 0.09 . . . . . . A 125 LEU CA . 30912 1 783 . 1 . 1 66 66 LEU CB C 13 42.746 0.07 . . . . . . A 125 LEU CB . 30912 1 784 . 1 . 1 66 66 LEU CG C 13 27.076 0.05 . . . . . . A 125 LEU CG . 30912 1 785 . 1 . 1 66 66 LEU CD1 C 13 24.248 0.22 . . . . . . A 125 LEU CD1 . 30912 1 786 . 1 . 1 66 66 LEU CD2 C 13 24.272 0.08 . . . . . . A 125 LEU CD2 . 30912 1 787 . 1 . 1 66 66 LEU N N 15 115.582 0.08 . . . . . . A 125 LEU N . 30912 1 788 . 1 . 1 67 67 CYS H H 1 7.351 0.01 . . . . . . A 126 CYS H . 30912 1 789 . 1 . 1 67 67 CYS HA H 1 5.058 0.01 . . . . . . A 126 CYS HA . 30912 1 790 . 1 . 1 67 67 CYS HB2 H 1 3.414 0.01 . . . . . . A 126 CYS HB2 . 30912 1 791 . 1 . 1 67 67 CYS HB3 H 1 3.230 0.00 . . . . . . A 126 CYS HB3 . 30912 1 792 . 1 . 1 67 67 CYS C C 13 174.351 0.00 . . . . . . A 126 CYS C . 30912 1 793 . 1 . 1 67 67 CYS CA C 13 55.369 0.07 . . . . . . A 126 CYS CA . 30912 1 794 . 1 . 1 67 67 CYS CB C 13 45.946 0.03 . . . . . . A 126 CYS CB . 30912 1 795 . 1 . 1 67 67 CYS N N 15 112.689 0.09 . . . . . . A 126 CYS N . 30912 1 796 . 1 . 1 68 68 SER H H 1 8.058 0.01 . . . . . . A 127 SER H . 30912 1 797 . 1 . 1 68 68 SER HA H 1 4.680 0.00 . . . . . . A 127 SER HA . 30912 1 798 . 1 . 1 68 68 SER HB2 H 1 3.902 0.01 . . . . . . A 127 SER HB2 . 30912 1 799 . 1 . 1 68 68 SER HB3 H 1 3.907 0.00 . . . . . . A 127 SER HB3 . 30912 1 800 . 1 . 1 68 68 SER C C 13 174.216 0.00 . . . . . . A 127 SER C . 30912 1 801 . 1 . 1 68 68 SER CA C 13 58.791 0.03 . . . . . . A 127 SER CA . 30912 1 802 . 1 . 1 68 68 SER CB C 13 64.449 0.03 . . . . . . A 127 SER CB . 30912 1 803 . 1 . 1 68 68 SER N N 15 115.577 0.09 . . . . . . A 127 SER N . 30912 1 804 . 1 . 1 69 69 GLN H H 1 8.425 0.02 . . . . . . A 128 GLN H . 30912 1 805 . 1 . 1 69 69 GLN HA H 1 4.552 0.00 . . . . . . A 128 GLN HA . 30912 1 806 . 1 . 1 69 69 GLN HB2 H 1 2.243 0.00 . . . . . . A 128 GLN HB2 . 30912 1 807 . 1 . 1 69 69 GLN HB3 H 1 2.089 0.01 . . . . . . A 128 GLN HB3 . 30912 1 808 . 1 . 1 69 69 GLN HG2 H 1 2.457 0.00 . . . . . . A 128 GLN HG2 . 30912 1 809 . 1 . 1 69 69 GLN HG3 H 1 2.457 0.00 . . . . . . A 128 GLN HG3 . 30912 1 810 . 1 . 1 69 69 GLN C C 13 175.410 0.00 . . . . . . A 128 GLN C . 30912 1 811 . 1 . 1 69 69 GLN CA C 13 56.069 0.04 . . . . . . A 128 GLN CA . 30912 1 812 . 1 . 1 69 69 GLN CB C 13 29.836 0.07 . . . . . . A 128 GLN CB . 30912 1 813 . 1 . 1 69 69 GLN CG C 13 34.136 0.02 . . . . . . A 128 GLN CG . 30912 1 814 . 1 . 1 69 69 GLN N N 15 122.800 0.09 . . . . . . A 128 GLN N . 30912 1 815 . 1 . 1 70 70 THR H H 1 7.902 0.02 . . . . . . A 129 THR H . 30912 1 816 . 1 . 1 70 70 THR HA H 1 4.229 0.00 . . . . . . A 129 THR HA . 30912 1 817 . 1 . 1 70 70 THR HB H 1 4.293 0.00 . . . . . . A 129 THR HB . 30912 1 818 . 1 . 1 70 70 THR HG21 H 1 1.219 0.01 . . . . . . A 129 THR HG21 . 30912 1 819 . 1 . 1 70 70 THR HG22 H 1 1.219 0.01 . . . . . . A 129 THR HG22 . 30912 1 820 . 1 . 1 70 70 THR HG23 H 1 1.219 0.01 . . . . . . A 129 THR HG23 . 30912 1 821 . 1 . 1 70 70 THR CA C 13 63.249 0.02 . . . . . . A 129 THR CA . 30912 1 822 . 1 . 1 70 70 THR CB C 13 70.782 0.12 . . . . . . A 129 THR CB . 30912 1 823 . 1 . 1 70 70 THR CG2 C 13 22.190 0.09 . . . . . . A 129 THR CG2 . 30912 1 824 . 1 . 1 70 70 THR N N 15 120.645 0.08 . . . . . . A 129 THR N . 30912 1 stop_ save_