data_25761 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25761 _Entry.Title ; NMR structure of a DUF1491 family protein (CC_1065) from Caulobacter crescentus CB15 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-08-19 _Entry.Accession_date 2015-08-19 _Entry.Last_release_date 2015-10-12 _Entry.Original_release_date 2015-10-12 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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.Entry_ID 1 Haina Qin . . . 25761 2 Pedro Serrano . . . 25761 3 Kurt Wuthrich . . . 25761 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 PSI 'Joint Center for Structural Genomics' . 25761 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Unknown Function' . 25761 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25761 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 355 25761 '15N chemical shifts' 107 25761 '1H chemical shifts' 715 25761 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2015-10-12 . original BMRB . 25761 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25760 GNPTAB 25761 PDB 2N6E 'BMRB Entry Tracking System' 25761 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 25761 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; NMR structure of a DUF1491 family protein (CC_1065) from Caulobacter crescentus CB15 ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'to be published' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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.Entry_ID _Citation_author.Citation_ID 1 Haina Qin . T . 25761 1 2 Kurt Wuthrich . . . 25761 1 3 Pedro Serrano . . . 25761 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25761 _Assembly.ID 1 _Assembly.Name PC07372D _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 entity 1 $entity A . yes native no no . . . 25761 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25761 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _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 ; GMLLSTDIWVAALIRRAELG GAFATVARKGDARAGAVLVK AVDRREGTARLFSEATRGDG ERFWMQPVRSTFEPDLDAYA ERAARIDPDIWVVEIEDRDG RHFLTEPVES ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 110 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12262.887 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2N6E . "Nmr Structure Of A Duf1491 Family Protein (cc_1065) From Caulobacter Crescentus Cb15" . . . . . 100.00 110 100.00 100.00 1.53e-69 . . . . 25761 1 2 no PDB 4GOQ . "Crystal Structure Of A Hypothetical Protein (Cc_1065) From Caulobacter Crescentus Cb15 At 1.87 A Resolution" . . . . . 100.00 110 98.18 98.18 2.58e-67 . . . . 25761 1 3 no GB AAK23049 . "hypothetical protein CC_1065 [Caulobacter crescentus CB15]" . . . . . 99.09 109 100.00 100.00 8.33e-69 . . . . 25761 1 4 no GB ACL94583 . "conserved hypothetical protein [Caulobacter crescentus NA1000]" . . . . . 99.09 109 100.00 100.00 8.33e-69 . . . . 25761 1 5 no REF NP_419881 . "hypothetical protein CC_1065 [Caulobacter crescentus CB15]" . . . . . 99.09 109 100.00 100.00 8.33e-69 . . . . 25761 1 6 no REF WP_010918949 . "hypothetical protein [Caulobacter vibrioides]" . . . . . 99.09 109 100.00 100.00 8.33e-69 . . . . 25761 1 7 no REF YP_002516491 . "conserved hypothetical protein [Caulobacter crescentus NA1000]" . . . . . 99.09 109 100.00 100.00 8.33e-69 . . . . 25761 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 GLY . 25761 1 2 2 MET . 25761 1 3 3 LEU . 25761 1 4 4 LEU . 25761 1 5 5 SER . 25761 1 6 6 THR . 25761 1 7 7 ASP . 25761 1 8 8 ILE . 25761 1 9 9 TRP . 25761 1 10 10 VAL . 25761 1 11 11 ALA . 25761 1 12 12 ALA . 25761 1 13 13 LEU . 25761 1 14 14 ILE . 25761 1 15 15 ARG . 25761 1 16 16 ARG . 25761 1 17 17 ALA . 25761 1 18 18 GLU . 25761 1 19 19 LEU . 25761 1 20 20 GLY . 25761 1 21 21 GLY . 25761 1 22 22 ALA . 25761 1 23 23 PHE . 25761 1 24 24 ALA . 25761 1 25 25 THR . 25761 1 26 26 VAL . 25761 1 27 27 ALA . 25761 1 28 28 ARG . 25761 1 29 29 LYS . 25761 1 30 30 GLY . 25761 1 31 31 ASP . 25761 1 32 32 ALA . 25761 1 33 33 ARG . 25761 1 34 34 ALA . 25761 1 35 35 GLY . 25761 1 36 36 ALA . 25761 1 37 37 VAL . 25761 1 38 38 LEU . 25761 1 39 39 VAL . 25761 1 40 40 LYS . 25761 1 41 41 ALA . 25761 1 42 42 VAL . 25761 1 43 43 ASP . 25761 1 44 44 ARG . 25761 1 45 45 ARG . 25761 1 46 46 GLU . 25761 1 47 47 GLY . 25761 1 48 48 THR . 25761 1 49 49 ALA . 25761 1 50 50 ARG . 25761 1 51 51 LEU . 25761 1 52 52 PHE . 25761 1 53 53 SER . 25761 1 54 54 GLU . 25761 1 55 55 ALA . 25761 1 56 56 THR . 25761 1 57 57 ARG . 25761 1 58 58 GLY . 25761 1 59 59 ASP . 25761 1 60 60 GLY . 25761 1 61 61 GLU . 25761 1 62 62 ARG . 25761 1 63 63 PHE . 25761 1 64 64 TRP . 25761 1 65 65 MET . 25761 1 66 66 GLN . 25761 1 67 67 PRO . 25761 1 68 68 VAL . 25761 1 69 69 ARG . 25761 1 70 70 SER . 25761 1 71 71 THR . 25761 1 72 72 PHE . 25761 1 73 73 GLU . 25761 1 74 74 PRO . 25761 1 75 75 ASP . 25761 1 76 76 LEU . 25761 1 77 77 ASP . 25761 1 78 78 ALA . 25761 1 79 79 TYR . 25761 1 80 80 ALA . 25761 1 81 81 GLU . 25761 1 82 82 ARG . 25761 1 83 83 ALA . 25761 1 84 84 ALA . 25761 1 85 85 ARG . 25761 1 86 86 ILE . 25761 1 87 87 ASP . 25761 1 88 88 PRO . 25761 1 89 89 ASP . 25761 1 90 90 ILE . 25761 1 91 91 TRP . 25761 1 92 92 VAL . 25761 1 93 93 VAL . 25761 1 94 94 GLU . 25761 1 95 95 ILE . 25761 1 96 96 GLU . 25761 1 97 97 ASP . 25761 1 98 98 ARG . 25761 1 99 99 ASP . 25761 1 100 100 GLY . 25761 1 101 101 ARG . 25761 1 102 102 HIS . 25761 1 103 103 PHE . 25761 1 104 104 LEU . 25761 1 105 105 THR . 25761 1 106 106 GLU . 25761 1 107 107 PRO . 25761 1 108 108 VAL . 25761 1 109 109 GLU . 25761 1 110 110 SER . 25761 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 25761 1 . MET 2 2 25761 1 . LEU 3 3 25761 1 . LEU 4 4 25761 1 . SER 5 5 25761 1 . THR 6 6 25761 1 . ASP 7 7 25761 1 . ILE 8 8 25761 1 . TRP 9 9 25761 1 . VAL 10 10 25761 1 . ALA 11 11 25761 1 . ALA 12 12 25761 1 . LEU 13 13 25761 1 . ILE 14 14 25761 1 . ARG 15 15 25761 1 . ARG 16 16 25761 1 . ALA 17 17 25761 1 . GLU 18 18 25761 1 . LEU 19 19 25761 1 . GLY 20 20 25761 1 . GLY 21 21 25761 1 . ALA 22 22 25761 1 . PHE 23 23 25761 1 . ALA 24 24 25761 1 . THR 25 25 25761 1 . VAL 26 26 25761 1 . ALA 27 27 25761 1 . ARG 28 28 25761 1 . LYS 29 29 25761 1 . GLY 30 30 25761 1 . ASP 31 31 25761 1 . ALA 32 32 25761 1 . ARG 33 33 25761 1 . ALA 34 34 25761 1 . GLY 35 35 25761 1 . ALA 36 36 25761 1 . VAL 37 37 25761 1 . LEU 38 38 25761 1 . VAL 39 39 25761 1 . LYS 40 40 25761 1 . ALA 41 41 25761 1 . VAL 42 42 25761 1 . ASP 43 43 25761 1 . ARG 44 44 25761 1 . ARG 45 45 25761 1 . GLU 46 46 25761 1 . GLY 47 47 25761 1 . THR 48 48 25761 1 . ALA 49 49 25761 1 . ARG 50 50 25761 1 . LEU 51 51 25761 1 . PHE 52 52 25761 1 . SER 53 53 25761 1 . GLU 54 54 25761 1 . ALA 55 55 25761 1 . THR 56 56 25761 1 . ARG 57 57 25761 1 . GLY 58 58 25761 1 . ASP 59 59 25761 1 . GLY 60 60 25761 1 . GLU 61 61 25761 1 . ARG 62 62 25761 1 . PHE 63 63 25761 1 . TRP 64 64 25761 1 . MET 65 65 25761 1 . GLN 66 66 25761 1 . PRO 67 67 25761 1 . VAL 68 68 25761 1 . ARG 69 69 25761 1 . SER 70 70 25761 1 . THR 71 71 25761 1 . PHE 72 72 25761 1 . GLU 73 73 25761 1 . PRO 74 74 25761 1 . ASP 75 75 25761 1 . LEU 76 76 25761 1 . ASP 77 77 25761 1 . ALA 78 78 25761 1 . TYR 79 79 25761 1 . ALA 80 80 25761 1 . GLU 81 81 25761 1 . ARG 82 82 25761 1 . ALA 83 83 25761 1 . ALA 84 84 25761 1 . ARG 85 85 25761 1 . ILE 86 86 25761 1 . ASP 87 87 25761 1 . PRO 88 88 25761 1 . ASP 89 89 25761 1 . ILE 90 90 25761 1 . TRP 91 91 25761 1 . VAL 92 92 25761 1 . VAL 93 93 25761 1 . GLU 94 94 25761 1 . ILE 95 95 25761 1 . GLU 96 96 25761 1 . ASP 97 97 25761 1 . ARG 98 98 25761 1 . ASP 99 99 25761 1 . GLY 100 100 25761 1 . ARG 101 101 25761 1 . HIS 102 102 25761 1 . PHE 103 103 25761 1 . LEU 104 104 25761 1 . THR 105 105 25761 1 . GLU 106 106 25761 1 . PRO 107 107 25761 1 . VAL 108 108 25761 1 . GLU 109 109 25761 1 . SER 110 110 25761 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 25761 _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 . 190650 organism . 'Caulobacter crescentus cb15' a-proteobacteria . . Bacteria . . . . . . . . . . . . . . . . 25761 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 25761 _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 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pSpeedET . . . 25761 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25761 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '[U-98% 13C; U-98% 15N], 1.2 mM;20 mM phosphate buffer; 50 mM NaCl; 5 mM Sodium Azide; pH 6.0; 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 entity '[U-98% 13C; U-98% 15N]' . . 1 $entity . . 1.2 . . mM . . . . 25761 1 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 25761 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25761 1 4 'sodium azide' 'natural abundance' . . . . . . 5 . . mM . . . . 25761 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25761 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25761 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25761 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.240 . M 25761 1 pH 6.0 . pH 25761 1 pressure 1 . atm 25761 1 temperature 298 . K 25761 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25761 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'G??ntert P.' . . 25761 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25761 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25761 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25761 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25761 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . 1 $citations 25761 1 2 spectrometer_2 Bruker Avance . 800 . 1 $citations 25761 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 25761 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25761 1 2 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25761 1 3 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25761 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25761 1 5 'APSY 4D-HACANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25761 1 6 'APSY 5D-CBCACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25761 1 7 'APSY 5D-HACACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25761 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25761 _Chem_shift_reference.ID 1 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 25761 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25761 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25761 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25761 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _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' . . . 25761 1 2 '3D 1H-13C NOESY aromatic' . . . 25761 1 3 '3D 1H-13C NOESY aliphatic' . . . 25761 1 4 '3D 1H-15N NOESY' . . . 25761 1 5 'APSY 4D-HACANH' . . . 25761 1 6 'APSY 5D-CBCACONH' . . . 25761 1 7 'APSY 5D-HACACONH' . . . 25761 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 MET HA H 1 4.380 0.000 . . . . . A 2 MET HA . 25761 1 2 . 1 1 2 2 MET HB2 H 1 1.941 0.000 . . . . . A 2 MET HB2 . 25761 1 3 . 1 1 2 2 MET HB3 H 1 1.909 0.000 . . . . . A 2 MET HB3 . 25761 1 4 . 1 1 2 2 MET CA C 13 52.819 0.000 . . . . . A 2 MET CA . 25761 1 5 . 1 1 2 2 MET CB C 13 30.830 0.000 . . . . . A 2 MET CB . 25761 1 6 . 1 1 3 3 LEU H H 1 8.399 0.000 . . . . . A 3 LEU H . 25761 1 7 . 1 1 3 3 LEU HA H 1 4.290 0.000 . . . . . A 3 LEU HA . 25761 1 8 . 1 1 3 3 LEU HB2 H 1 1.567 0.000 . . . . . A 3 LEU HB2 . 25761 1 9 . 1 1 3 3 LEU HB3 H 1 1.503 0.000 . . . . . A 3 LEU HB3 . 25761 1 10 . 1 1 3 3 LEU HG H 1 1.513 0.000 . . . . . A 3 LEU HG . 25761 1 11 . 1 1 3 3 LEU HD11 H 1 0.765 0.000 . . . . . A 3 LEU QD1 . 25761 1 12 . 1 1 3 3 LEU HD12 H 1 0.765 0.000 . . . . . A 3 LEU QD1 . 25761 1 13 . 1 1 3 3 LEU HD13 H 1 0.765 0.000 . . . . . A 3 LEU QD1 . 25761 1 14 . 1 1 3 3 LEU HD21 H 1 0.808 0.000 . . . . . A 3 LEU QD2 . 25761 1 15 . 1 1 3 3 LEU HD22 H 1 0.808 0.000 . . . . . A 3 LEU QD2 . 25761 1 16 . 1 1 3 3 LEU HD23 H 1 0.808 0.000 . . . . . A 3 LEU QD2 . 25761 1 17 . 1 1 3 3 LEU CA C 13 52.670 0.000 . . . . . A 3 LEU CA . 25761 1 18 . 1 1 3 3 LEU CB C 13 39.928 0.000 . . . . . A 3 LEU CB . 25761 1 19 . 1 1 3 3 LEU CG C 13 24.554 0.000 . . . . . A 3 LEU CG . 25761 1 20 . 1 1 3 3 LEU CD1 C 13 21.320 0.000 . . . . . A 3 LEU CD1 . 25761 1 21 . 1 1 3 3 LEU CD2 C 13 22.295 0.000 . . . . . A 3 LEU CD2 . 25761 1 22 . 1 1 3 3 LEU N N 15 123.960 0.000 . . . . . A 3 LEU N . 25761 1 23 . 1 1 4 4 LEU H H 1 8.134 0.000 . . . . . A 4 LEU H . 25761 1 24 . 1 1 4 4 LEU HA H 1 4.457 0.000 . . . . . A 4 LEU HA . 25761 1 25 . 1 1 4 4 LEU HB2 H 1 1.664 0.000 . . . . . A 4 LEU HB2 . 25761 1 26 . 1 1 4 4 LEU HB3 H 1 1.580 0.000 . . . . . A 4 LEU HB3 . 25761 1 27 . 1 1 4 4 LEU HG H 1 1.699 0.000 . . . . . A 4 LEU HG . 25761 1 28 . 1 1 4 4 LEU HD11 H 1 0.868 0.000 . . . . . A 4 LEU QD1 . 25761 1 29 . 1 1 4 4 LEU HD12 H 1 0.868 0.000 . . . . . A 4 LEU QD1 . 25761 1 30 . 1 1 4 4 LEU HD13 H 1 0.868 0.000 . . . . . A 4 LEU QD1 . 25761 1 31 . 1 1 4 4 LEU HD21 H 1 0.923 0.000 . . . . . A 4 LEU QD2 . 25761 1 32 . 1 1 4 4 LEU HD22 H 1 0.923 0.000 . . . . . A 4 LEU QD2 . 25761 1 33 . 1 1 4 4 LEU HD23 H 1 0.923 0.000 . . . . . A 4 LEU QD2 . 25761 1 34 . 1 1 4 4 LEU CA C 13 51.647 0.000 . . . . . A 4 LEU CA . 25761 1 35 . 1 1 4 4 LEU CB C 13 41.002 0.000 . . . . . A 4 LEU CB . 25761 1 36 . 1 1 4 4 LEU CG C 13 24.417 0.000 . . . . . A 4 LEU CG . 25761 1 37 . 1 1 4 4 LEU CD1 C 13 21.187 0.000 . . . . . A 4 LEU CD1 . 25761 1 38 . 1 1 4 4 LEU CD2 C 13 22.694 0.000 . . . . . A 4 LEU CD2 . 25761 1 39 . 1 1 4 4 LEU N N 15 123.372 0.000 . . . . . A 4 LEU N . 25761 1 40 . 1 1 5 5 SER H H 1 8.075 0.000 . . . . . A 5 SER H . 25761 1 41 . 1 1 5 5 SER HA H 1 4.628 0.000 . . . . . A 5 SER HA . 25761 1 42 . 1 1 5 5 SER HB2 H 1 4.101 0.000 . . . . . A 5 SER HB2 . 25761 1 43 . 1 1 5 5 SER HB3 H 1 4.292 0.000 . . . . . A 5 SER HB3 . 25761 1 44 . 1 1 5 5 SER CA C 13 56.192 0.000 . . . . . A 5 SER CA . 25761 1 45 . 1 1 5 5 SER CB C 13 61.291 0.000 . . . . . A 5 SER CB . 25761 1 46 . 1 1 5 5 SER N N 15 117.439 0.000 . . . . . A 5 SER N . 25761 1 47 . 1 1 6 6 THR H H 1 7.681 0.000 . . . . . A 6 THR H . 25761 1 48 . 1 1 6 6 THR HA H 1 3.713 0.000 . . . . . A 6 THR HA . 25761 1 49 . 1 1 6 6 THR HB H 1 3.846 0.000 . . . . . A 6 THR HB . 25761 1 50 . 1 1 6 6 THR HG21 H 1 0.136 0.000 . . . . . A 6 THR QG2 . 25761 1 51 . 1 1 6 6 THR HG22 H 1 0.136 0.000 . . . . . A 6 THR QG2 . 25761 1 52 . 1 1 6 6 THR HG23 H 1 0.136 0.000 . . . . . A 6 THR QG2 . 25761 1 53 . 1 1 6 6 THR CA C 13 64.981 0.000 . . . . . A 6 THR CA . 25761 1 54 . 1 1 6 6 THR CB C 13 65.860 0.000 . . . . . A 6 THR CB . 25761 1 55 . 1 1 6 6 THR CG2 C 13 19.503 0.000 . . . . . A 6 THR CG2 . 25761 1 56 . 1 1 6 6 THR N N 15 121.297 0.000 . . . . . A 6 THR N . 25761 1 57 . 1 1 7 7 ASP H H 1 9.044 0.000 . . . . . A 7 ASP H . 25761 1 58 . 1 1 7 7 ASP HA H 1 3.742 0.000 . . . . . A 7 ASP HA . 25761 1 59 . 1 1 7 7 ASP HB2 H 1 2.828 0.000 . . . . . A 7 ASP HB2 . 25761 1 60 . 1 1 7 7 ASP HB3 H 1 2.854 0.000 . . . . . A 7 ASP HB3 . 25761 1 61 . 1 1 7 7 ASP CA C 13 54.997 0.000 . . . . . A 7 ASP CA . 25761 1 62 . 1 1 7 7 ASP CB C 13 36.792 0.000 . . . . . A 7 ASP CB . 25761 1 63 . 1 1 7 7 ASP N N 15 119.550 0.000 . . . . . A 7 ASP N . 25761 1 64 . 1 1 8 8 ILE H H 1 7.749 0.000 . . . . . A 8 ILE H . 25761 1 65 . 1 1 8 8 ILE HA H 1 3.721 0.000 . . . . . A 8 ILE HA . 25761 1 66 . 1 1 8 8 ILE HB H 1 1.970 0.000 . . . . . A 8 ILE HB . 25761 1 67 . 1 1 8 8 ILE HG12 H 1 1.565 0.000 . . . . . A 8 ILE HG12 . 25761 1 68 . 1 1 8 8 ILE HG13 H 1 1.225 0.000 . . . . . A 8 ILE HG13 . 25761 1 69 . 1 1 8 8 ILE HG21 H 1 0.921 0.000 . . . . . A 8 ILE QG2 . 25761 1 70 . 1 1 8 8 ILE HG22 H 1 0.921 0.000 . . . . . A 8 ILE QG2 . 25761 1 71 . 1 1 8 8 ILE HG23 H 1 0.921 0.000 . . . . . A 8 ILE QG2 . 25761 1 72 . 1 1 8 8 ILE HD11 H 1 0.821 0.000 . . . . . A 8 ILE QD1 . 25761 1 73 . 1 1 8 8 ILE HD12 H 1 0.821 0.000 . . . . . A 8 ILE QD1 . 25761 1 74 . 1 1 8 8 ILE HD13 H 1 0.821 0.000 . . . . . A 8 ILE QD1 . 25761 1 75 . 1 1 8 8 ILE CA C 13 60.975 0.000 . . . . . A 8 ILE CA . 25761 1 76 . 1 1 8 8 ILE CB C 13 35.127 0.000 . . . . . A 8 ILE CB . 25761 1 77 . 1 1 8 8 ILE CG1 C 13 25.679 0.000 . . . . . A 8 ILE CG1 . 25761 1 78 . 1 1 8 8 ILE CG2 C 13 15.431 0.000 . . . . . A 8 ILE CG2 . 25761 1 79 . 1 1 8 8 ILE CD1 C 13 9.522 0.000 . . . . . A 8 ILE CD1 . 25761 1 80 . 1 1 8 8 ILE N N 15 123.495 0.000 . . . . . A 8 ILE N . 25761 1 81 . 1 1 9 9 TRP H H 1 8.232 0.000 . . . . . A 9 TRP H . 25761 1 82 . 1 1 9 9 TRP HA H 1 3.844 0.000 . . . . . A 9 TRP HA . 25761 1 83 . 1 1 9 9 TRP HB2 H 1 3.471 0.000 . . . . . A 9 TRP HB2 . 25761 1 84 . 1 1 9 9 TRP HB3 H 1 3.079 0.000 . . . . . A 9 TRP HB3 . 25761 1 85 . 1 1 9 9 TRP HD1 H 1 7.234 0.000 . . . . . A 9 TRP HD1 . 25761 1 86 . 1 1 9 9 TRP HE3 H 1 7.259 0.000 . . . . . A 9 TRP HE3 . 25761 1 87 . 1 1 9 9 TRP HZ2 H 1 7.893 0.000 . . . . . A 9 TRP HZ2 . 25761 1 88 . 1 1 9 9 TRP HZ3 H 1 6.684 0.000 . . . . . A 9 TRP HZ3 . 25761 1 89 . 1 1 9 9 TRP HH2 H 1 6.767 0.000 . . . . . A 9 TRP HH2 . 25761 1 90 . 1 1 9 9 TRP CA C 13 60.136 0.000 . . . . . A 9 TRP CA . 25761 1 91 . 1 1 9 9 TRP CB C 13 26.975 0.000 . . . . . A 9 TRP CB . 25761 1 92 . 1 1 9 9 TRP CD1 C 13 129.902 0.000 . . . . . A 9 TRP CD1 . 25761 1 93 . 1 1 9 9 TRP CE3 C 13 122.702 0.000 . . . . . A 9 TRP CE3 . 25761 1 94 . 1 1 9 9 TRP CZ2 C 13 119.175 0.000 . . . . . A 9 TRP CZ2 . 25761 1 95 . 1 1 9 9 TRP CZ3 C 13 124.326 0.000 . . . . . A 9 TRP CZ3 . 25761 1 96 . 1 1 9 9 TRP CH2 C 13 128.555 0.000 . . . . . A 9 TRP CH2 . 25761 1 97 . 1 1 9 9 TRP N N 15 124.446 0.000 . . . . . A 9 TRP N . 25761 1 98 . 1 1 9 9 TRP NE1 N 15 131.060 0.000 . . . . . A 9 TRP NE1 . 25761 1 99 . 1 1 10 10 VAL H H 1 9.240 0.000 . . . . . A 10 VAL H . 25761 1 100 . 1 1 10 10 VAL HA H 1 3.165 0.000 . . . . . A 10 VAL HA . 25761 1 101 . 1 1 10 10 VAL HB H 1 1.594 0.000 . . . . . A 10 VAL HB . 25761 1 102 . 1 1 10 10 VAL HG11 H 1 0.801 0.000 . . . . . A 10 VAL QG1 . 25761 1 103 . 1 1 10 10 VAL HG12 H 1 0.801 0.000 . . . . . A 10 VAL QG1 . 25761 1 104 . 1 1 10 10 VAL HG13 H 1 0.801 0.000 . . . . . A 10 VAL QG1 . 25761 1 105 . 1 1 10 10 VAL HG21 H 1 0.408 0.000 . . . . . A 10 VAL QG2 . 25761 1 106 . 1 1 10 10 VAL HG22 H 1 0.408 0.000 . . . . . A 10 VAL QG2 . 25761 1 107 . 1 1 10 10 VAL HG23 H 1 0.408 0.000 . . . . . A 10 VAL QG2 . 25761 1 108 . 1 1 10 10 VAL CA C 13 64.235 0.000 . . . . . A 10 VAL CA . 25761 1 109 . 1 1 10 10 VAL CB C 13 29.016 0.000 . . . . . A 10 VAL CB . 25761 1 110 . 1 1 10 10 VAL CG1 C 13 19.625 0.000 . . . . . A 10 VAL CG1 . 25761 1 111 . 1 1 10 10 VAL CG2 C 13 21.041 0.000 . . . . . A 10 VAL CG2 . 25761 1 112 . 1 1 10 10 VAL N N 15 121.207 0.000 . . . . . A 10 VAL N . 25761 1 113 . 1 1 11 11 ALA H H 1 7.718 0.000 . . . . . A 11 ALA H . 25761 1 114 . 1 1 11 11 ALA HA H 1 3.849 0.000 . . . . . A 11 ALA HA . 25761 1 115 . 1 1 11 11 ALA HB1 H 1 1.382 0.000 . . . . . A 11 ALA QB . 25761 1 116 . 1 1 11 11 ALA HB2 H 1 1.382 0.000 . . . . . A 11 ALA QB . 25761 1 117 . 1 1 11 11 ALA HB3 H 1 1.382 0.000 . . . . . A 11 ALA QB . 25761 1 118 . 1 1 11 11 ALA CA C 13 52.479 0.000 . . . . . A 11 ALA CA . 25761 1 119 . 1 1 11 11 ALA CB C 13 15.145 0.000 . . . . . A 11 ALA CB . 25761 1 120 . 1 1 11 11 ALA N N 15 120.679 0.000 . . . . . A 11 ALA N . 25761 1 121 . 1 1 12 12 ALA H H 1 7.642 0.000 . . . . . A 12 ALA H . 25761 1 122 . 1 1 12 12 ALA HA H 1 3.905 0.000 . . . . . A 12 ALA HA . 25761 1 123 . 1 1 12 12 ALA HB1 H 1 1.194 0.000 . . . . . A 12 ALA QB . 25761 1 124 . 1 1 12 12 ALA HB2 H 1 1.194 0.000 . . . . . A 12 ALA QB . 25761 1 125 . 1 1 12 12 ALA HB3 H 1 1.194 0.000 . . . . . A 12 ALA QB . 25761 1 126 . 1 1 12 12 ALA CA C 13 51.996 0.000 . . . . . A 12 ALA CA . 25761 1 127 . 1 1 12 12 ALA CB C 13 14.939 0.000 . . . . . A 12 ALA CB . 25761 1 128 . 1 1 12 12 ALA N N 15 120.217 0.000 . . . . . A 12 ALA N . 25761 1 129 . 1 1 13 13 LEU H H 1 7.320 0.000 . . . . . A 13 LEU H . 25761 1 130 . 1 1 13 13 LEU HA H 1 3.545 0.000 . . . . . A 13 LEU HA . 25761 1 131 . 1 1 13 13 LEU HB2 H 1 1.617 0.000 . . . . . A 13 LEU HB2 . 25761 1 132 . 1 1 13 13 LEU HB3 H 1 0.360 0.000 . . . . . A 13 LEU HB3 . 25761 1 133 . 1 1 13 13 LEU HG H 1 1.020 0.000 . . . . . A 13 LEU HG . 25761 1 134 . 1 1 13 13 LEU HD11 H 1 0.666 0.000 . . . . . A 13 LEU QD1 . 25761 1 135 . 1 1 13 13 LEU HD12 H 1 0.666 0.000 . . . . . A 13 LEU QD1 . 25761 1 136 . 1 1 13 13 LEU HD13 H 1 0.666 0.000 . . . . . A 13 LEU QD1 . 25761 1 137 . 1 1 13 13 LEU HD21 H 1 0.650 0.000 . . . . . A 13 LEU QD2 . 25761 1 138 . 1 1 13 13 LEU HD22 H 1 0.650 0.000 . . . . . A 13 LEU QD2 . 25761 1 139 . 1 1 13 13 LEU HD23 H 1 0.650 0.000 . . . . . A 13 LEU QD2 . 25761 1 140 . 1 1 13 13 LEU CA C 13 55.541 0.000 . . . . . A 13 LEU CA . 25761 1 141 . 1 1 13 13 LEU CB C 13 38.449 0.000 . . . . . A 13 LEU CB . 25761 1 142 . 1 1 13 13 LEU CG C 13 24.970 0.000 . . . . . A 13 LEU CG . 25761 1 143 . 1 1 13 13 LEU CD1 C 13 24.650 0.000 . . . . . A 13 LEU CD1 . 25761 1 144 . 1 1 13 13 LEU CD2 C 13 21.483 0.000 . . . . . A 13 LEU CD2 . 25761 1 145 . 1 1 13 13 LEU N N 15 122.821 0.000 . . . . . A 13 LEU N . 25761 1 146 . 1 1 14 14 ILE H H 1 8.105 0.000 . . . . . A 14 ILE H . 25761 1 147 . 1 1 14 14 ILE HA H 1 3.052 0.000 . . . . . A 14 ILE HA . 25761 1 148 . 1 1 14 14 ILE HB H 1 1.674 0.000 . . . . . A 14 ILE HB . 25761 1 149 . 1 1 14 14 ILE HG12 H 1 0.832 0.000 . . . . . A 14 ILE HG12 . 25761 1 150 . 1 1 14 14 ILE HG13 H 1 1.461 0.000 . . . . . A 14 ILE HG13 . 25761 1 151 . 1 1 14 14 ILE HG21 H 1 0.593 0.000 . . . . . A 14 ILE QG2 . 25761 1 152 . 1 1 14 14 ILE HG22 H 1 0.593 0.000 . . . . . A 14 ILE QG2 . 25761 1 153 . 1 1 14 14 ILE HG23 H 1 0.593 0.000 . . . . . A 14 ILE QG2 . 25761 1 154 . 1 1 14 14 ILE HD11 H 1 0.671 0.000 . . . . . A 14 ILE QD1 . 25761 1 155 . 1 1 14 14 ILE HD12 H 1 0.671 0.000 . . . . . A 14 ILE QD1 . 25761 1 156 . 1 1 14 14 ILE HD13 H 1 0.671 0.000 . . . . . A 14 ILE QD1 . 25761 1 157 . 1 1 14 14 ILE CA C 13 62.205 0.000 . . . . . A 14 ILE CA . 25761 1 158 . 1 1 14 14 ILE CB C 13 34.777 0.000 . . . . . A 14 ILE CB . 25761 1 159 . 1 1 14 14 ILE CG1 C 13 26.139 0.000 . . . . . A 14 ILE CG1 . 25761 1 160 . 1 1 14 14 ILE CG2 C 13 10.650 0.000 . . . . . A 14 ILE CG2 . 25761 1 161 . 1 1 14 14 ILE CD1 C 13 14.129 0.000 . . . . . A 14 ILE CD1 . 25761 1 162 . 1 1 14 14 ILE N N 15 117.258 0.000 . . . . . A 14 ILE N . 25761 1 163 . 1 1 15 15 ARG H H 1 7.574 0.000 . . . . . A 15 ARG H . 25761 1 164 . 1 1 15 15 ARG HA H 1 3.960 0.000 . . . . . A 15 ARG HA . 25761 1 165 . 1 1 15 15 ARG HB2 H 1 1.759 0.000 . . . . . A 15 ARG QB . 25761 1 166 . 1 1 15 15 ARG HB3 H 1 1.759 0.000 . . . . . A 15 ARG QB . 25761 1 167 . 1 1 15 15 ARG HG2 H 1 1.506 0.000 . . . . . A 15 ARG HG2 . 25761 1 168 . 1 1 15 15 ARG HG3 H 1 1.566 0.000 . . . . . A 15 ARG HG3 . 25761 1 169 . 1 1 15 15 ARG CA C 13 56.068 0.000 . . . . . A 15 ARG CA . 25761 1 170 . 1 1 15 15 ARG CB C 13 27.302 0.000 . . . . . A 15 ARG CB . 25761 1 171 . 1 1 15 15 ARG CG C 13 24.470 0.000 . . . . . A 15 ARG CG . 25761 1 172 . 1 1 15 15 ARG N N 15 117.921 0.000 . . . . . A 15 ARG N . 25761 1 173 . 1 1 16 16 ARG H H 1 7.832 0.000 . . . . . A 16 ARG H . 25761 1 174 . 1 1 16 16 ARG HA H 1 3.701 0.000 . . . . . A 16 ARG HA . 25761 1 175 . 1 1 16 16 ARG HB2 H 1 1.579 0.000 . . . . . A 16 ARG QB . 25761 1 176 . 1 1 16 16 ARG HB3 H 1 1.579 0.000 . . . . . A 16 ARG QB . 25761 1 177 . 1 1 16 16 ARG HG2 H 1 1.827 0.000 . . . . . A 16 ARG HG2 . 25761 1 178 . 1 1 16 16 ARG HG3 H 1 1.312 0.000 . . . . . A 16 ARG HG3 . 25761 1 179 . 1 1 16 16 ARG HD2 H 1 3.251 0.000 . . . . . A 16 ARG QD . 25761 1 180 . 1 1 16 16 ARG HD3 H 1 3.251 0.000 . . . . . A 16 ARG QD . 25761 1 181 . 1 1 16 16 ARG CA C 13 57.654 0.000 . . . . . A 16 ARG CA . 25761 1 182 . 1 1 16 16 ARG CB C 13 28.131 0.000 . . . . . A 16 ARG CB . 25761 1 183 . 1 1 16 16 ARG CG C 13 25.901 0.000 . . . . . A 16 ARG CG . 25761 1 184 . 1 1 16 16 ARG CD C 13 40.855 0.000 . . . . . A 16 ARG CD . 25761 1 185 . 1 1 16 16 ARG N N 15 118.635 0.000 . . . . . A 16 ARG N . 25761 1 186 . 1 1 17 17 ALA H H 1 7.856 0.000 . . . . . A 17 ALA H . 25761 1 187 . 1 1 17 17 ALA HA H 1 3.052 0.000 . . . . . A 17 ALA HA . 25761 1 188 . 1 1 17 17 ALA HB1 H 1 0.640 0.000 . . . . . A 17 ALA QB . 25761 1 189 . 1 1 17 17 ALA HB2 H 1 0.640 0.000 . . . . . A 17 ALA QB . 25761 1 190 . 1 1 17 17 ALA HB3 H 1 0.640 0.000 . . . . . A 17 ALA QB . 25761 1 191 . 1 1 17 17 ALA CA C 13 62.360 0.000 . . . . . A 17 ALA CA . 25761 1 192 . 1 1 17 17 ALA CB C 13 15.553 0.000 . . . . . A 17 ALA CB . 25761 1 193 . 1 1 17 17 ALA N N 15 122.335 0.000 . . . . . A 17 ALA N . 25761 1 194 . 1 1 18 18 GLU H H 1 8.303 0.000 . . . . . A 18 GLU H . 25761 1 195 . 1 1 18 18 GLU HA H 1 3.991 0.000 . . . . . A 18 GLU HA . 25761 1 196 . 1 1 18 18 GLU HB2 H 1 1.848 0.000 . . . . . A 18 GLU HB2 . 25761 1 197 . 1 1 18 18 GLU HB3 H 1 2.061 0.000 . . . . . A 18 GLU HB3 . 25761 1 198 . 1 1 18 18 GLU HG2 H 1 2.105 0.000 . . . . . A 18 GLU HG2 . 25761 1 199 . 1 1 18 18 GLU HG3 H 1 2.464 0.000 . . . . . A 18 GLU HG3 . 25761 1 200 . 1 1 18 18 GLU CA C 13 56.489 0.000 . . . . . A 18 GLU CA . 25761 1 201 . 1 1 18 18 GLU CB C 13 26.786 0.000 . . . . . A 18 GLU CB . 25761 1 202 . 1 1 18 18 GLU CG C 13 34.167 0.000 . . . . . A 18 GLU CG . 25761 1 203 . 1 1 18 18 GLU N N 15 118.223 0.000 . . . . . A 18 GLU N . 25761 1 204 . 1 1 19 19 LEU H H 1 8.402 0.000 . . . . . A 19 LEU H . 25761 1 205 . 1 1 19 19 LEU HA H 1 4.004 0.000 . . . . . A 19 LEU HA . 25761 1 206 . 1 1 19 19 LEU HB2 H 1 1.726 0.000 . . . . . A 19 LEU HB2 . 25761 1 207 . 1 1 19 19 LEU HB3 H 1 1.405 0.000 . . . . . A 19 LEU HB3 . 25761 1 208 . 1 1 19 19 LEU HG H 1 1.653 0.000 . . . . . A 19 LEU HG . 25761 1 209 . 1 1 19 19 LEU HD11 H 1 0.752 0.000 . . . . . A 19 LEU QD1 . 25761 1 210 . 1 1 19 19 LEU HD12 H 1 0.752 0.000 . . . . . A 19 LEU QD1 . 25761 1 211 . 1 1 19 19 LEU HD13 H 1 0.752 0.000 . . . . . A 19 LEU QD1 . 25761 1 212 . 1 1 19 19 LEU HD21 H 1 0.781 0.000 . . . . . A 19 LEU QD2 . 25761 1 213 . 1 1 19 19 LEU HD22 H 1 0.781 0.000 . . . . . A 19 LEU QD2 . 25761 1 214 . 1 1 19 19 LEU HD23 H 1 0.781 0.000 . . . . . A 19 LEU QD2 . 25761 1 215 . 1 1 19 19 LEU CA C 13 54.857 0.000 . . . . . A 19 LEU CA . 25761 1 216 . 1 1 19 19 LEU CB C 13 39.115 0.000 . . . . . A 19 LEU CB . 25761 1 217 . 1 1 19 19 LEU CG C 13 24.585 0.000 . . . . . A 19 LEU CG . 25761 1 218 . 1 1 19 19 LEU CD1 C 13 22.762 0.000 . . . . . A 19 LEU CD1 . 25761 1 219 . 1 1 19 19 LEU CD2 C 13 20.608 0.000 . . . . . A 19 LEU CD2 . 25761 1 220 . 1 1 19 19 LEU N N 15 122.454 0.000 . . . . . A 19 LEU N . 25761 1 221 . 1 1 20 20 GLY H H 1 7.468 0.000 . . . . . A 20 GLY H . 25761 1 222 . 1 1 20 20 GLY HA2 H 1 4.344 0.000 . . . . . A 20 GLY HA2 . 25761 1 223 . 1 1 20 20 GLY HA3 H 1 3.526 0.000 . . . . . A 20 GLY HA3 . 25761 1 224 . 1 1 20 20 GLY CA C 13 42.743 0.000 . . . . . A 20 GLY CA . 25761 1 225 . 1 1 20 20 GLY N N 15 105.446 0.000 . . . . . A 20 GLY N . 25761 1 226 . 1 1 21 21 GLY H H 1 7.754 0.000 . . . . . A 21 GLY H . 25761 1 227 . 1 1 21 21 GLY HA2 H 1 3.675 0.000 . . . . . A 21 GLY HA2 . 25761 1 228 . 1 1 21 21 GLY HA3 H 1 4.223 0.000 . . . . . A 21 GLY HA3 . 25761 1 229 . 1 1 21 21 GLY CA C 13 42.627 0.000 . . . . . A 21 GLY CA . 25761 1 230 . 1 1 21 21 GLY N N 15 107.714 0.000 . . . . . A 21 GLY N . 25761 1 231 . 1 1 22 22 ALA H H 1 8.012 0.000 . . . . . A 22 ALA H . 25761 1 232 . 1 1 22 22 ALA HA H 1 4.664 0.000 . . . . . A 22 ALA HA . 25761 1 233 . 1 1 22 22 ALA HB1 H 1 1.376 0.000 . . . . . A 22 ALA QB . 25761 1 234 . 1 1 22 22 ALA HB2 H 1 1.376 0.000 . . . . . A 22 ALA QB . 25761 1 235 . 1 1 22 22 ALA HB3 H 1 1.376 0.000 . . . . . A 22 ALA QB . 25761 1 236 . 1 1 22 22 ALA CA C 13 48.238 0.000 . . . . . A 22 ALA CA . 25761 1 237 . 1 1 22 22 ALA CB C 13 19.283 0.000 . . . . . A 22 ALA CB . 25761 1 238 . 1 1 22 22 ALA N N 15 123.725 0.000 . . . . . A 22 ALA N . 25761 1 239 . 1 1 23 23 PHE H H 1 8.128 0.000 . . . . . A 23 PHE H . 25761 1 240 . 1 1 23 23 PHE HA H 1 4.839 0.000 . . . . . A 23 PHE HA . 25761 1 241 . 1 1 23 23 PHE HB2 H 1 3.003 0.000 . . . . . A 23 PHE QB . 25761 1 242 . 1 1 23 23 PHE HB3 H 1 3.003 0.000 . . . . . A 23 PHE QB . 25761 1 243 . 1 1 23 23 PHE HD1 H 1 7.167 0.000 . . . . . A 23 PHE QD . 25761 1 244 . 1 1 23 23 PHE HD2 H 1 7.167 0.000 . . . . . A 23 PHE QD . 25761 1 245 . 1 1 23 23 PHE HE1 H 1 7.239 0.000 . . . . . A 23 PHE QE . 25761 1 246 . 1 1 23 23 PHE HE2 H 1 7.239 0.000 . . . . . A 23 PHE QE . 25761 1 247 . 1 1 23 23 PHE CA C 13 53.762 0.000 . . . . . A 23 PHE CA . 25761 1 248 . 1 1 23 23 PHE CB C 13 38.656 0.000 . . . . . A 23 PHE CB . 25761 1 249 . 1 1 23 23 PHE CD1 C 13 134.673 0.000 . . . . . A 23 PHE CD1 . 25761 1 250 . 1 1 23 23 PHE CD2 C 13 134.673 0.000 . . . . . A 23 PHE CD2 . 25761 1 251 . 1 1 23 23 PHE CE1 C 13 134.449 0.000 . . . . . A 23 PHE CE1 . 25761 1 252 . 1 1 23 23 PHE CE2 C 13 134.470 0.000 . . . . . A 23 PHE CE2 . 25761 1 253 . 1 1 23 23 PHE N N 15 117.564 0.000 . . . . . A 23 PHE N . 25761 1 254 . 1 1 24 24 ALA H H 1 8.542 0.000 . . . . . A 24 ALA H . 25761 1 255 . 1 1 24 24 ALA HA H 1 5.452 0.000 . . . . . A 24 ALA HA . 25761 1 256 . 1 1 24 24 ALA HB1 H 1 1.014 0.000 . . . . . A 24 ALA QB . 25761 1 257 . 1 1 24 24 ALA HB2 H 1 1.014 0.000 . . . . . A 24 ALA QB . 25761 1 258 . 1 1 24 24 ALA HB3 H 1 1.014 0.000 . . . . . A 24 ALA QB . 25761 1 259 . 1 1 24 24 ALA CA C 13 47.511 0.000 . . . . . A 24 ALA CA . 25761 1 260 . 1 1 24 24 ALA CB C 13 21.378 0.000 . . . . . A 24 ALA CB . 25761 1 261 . 1 1 24 24 ALA N N 15 128.638 0.000 . . . . . A 24 ALA N . 25761 1 262 . 1 1 25 25 THR H H 1 9.003 0.000 . . . . . A 25 THR H . 25761 1 263 . 1 1 25 25 THR HA H 1 4.394 0.000 . . . . . A 25 THR HA . 25761 1 264 . 1 1 25 25 THR HB H 1 3.804 0.000 . . . . . A 25 THR HB . 25761 1 265 . 1 1 25 25 THR HG21 H 1 1.000 0.000 . . . . . A 25 THR QG2 . 25761 1 266 . 1 1 25 25 THR HG22 H 1 1.000 0.000 . . . . . A 25 THR QG2 . 25761 1 267 . 1 1 25 25 THR HG23 H 1 1.000 0.000 . . . . . A 25 THR QG2 . 25761 1 268 . 1 1 25 25 THR CA C 13 57.830 0.000 . . . . . A 25 THR CA . 25761 1 269 . 1 1 25 25 THR CB C 13 69.095 0.000 . . . . . A 25 THR CB . 25761 1 270 . 1 1 25 25 THR CG2 C 13 18.392 0.000 . . . . . A 25 THR CG2 . 25761 1 271 . 1 1 25 25 THR N N 15 115.207 0.000 . . . . . A 25 THR N . 25761 1 272 . 1 1 26 26 VAL H H 1 8.739 0.000 . . . . . A 26 VAL H . 25761 1 273 . 1 1 26 26 VAL HA H 1 4.182 0.000 . . . . . A 26 VAL HA . 25761 1 274 . 1 1 26 26 VAL HB H 1 2.118 0.000 . . . . . A 26 VAL HB . 25761 1 275 . 1 1 26 26 VAL HG11 H 1 0.951 0.000 . . . . . A 26 VAL QG1 . 25761 1 276 . 1 1 26 26 VAL HG12 H 1 0.951 0.000 . . . . . A 26 VAL QG1 . 25761 1 277 . 1 1 26 26 VAL HG13 H 1 0.951 0.000 . . . . . A 26 VAL QG1 . 25761 1 278 . 1 1 26 26 VAL HG21 H 1 1.102 0.000 . . . . . A 26 VAL QG2 . 25761 1 279 . 1 1 26 26 VAL HG22 H 1 1.102 0.000 . . . . . A 26 VAL QG2 . 25761 1 280 . 1 1 26 26 VAL HG23 H 1 1.102 0.000 . . . . . A 26 VAL QG2 . 25761 1 281 . 1 1 26 26 VAL CA C 13 60.486 0.000 . . . . . A 26 VAL CA . 25761 1 282 . 1 1 26 26 VAL CB C 13 28.548 0.000 . . . . . A 26 VAL CB . 25761 1 283 . 1 1 26 26 VAL CG1 C 13 20.069 0.000 . . . . . A 26 VAL CG1 . 25761 1 284 . 1 1 26 26 VAL CG2 C 13 19.718 0.000 . . . . . A 26 VAL CG2 . 25761 1 285 . 1 1 26 26 VAL N N 15 125.712 0.000 . . . . . A 26 VAL N . 25761 1 286 . 1 1 27 27 ALA H H 1 8.412 0.000 . . . . . A 27 ALA H . 25761 1 287 . 1 1 27 27 ALA HA H 1 4.245 0.000 . . . . . A 27 ALA HA . 25761 1 288 . 1 1 27 27 ALA HB1 H 1 1.218 0.000 . . . . . A 27 ALA QB . 25761 1 289 . 1 1 27 27 ALA HB2 H 1 1.218 0.000 . . . . . A 27 ALA QB . 25761 1 290 . 1 1 27 27 ALA HB3 H 1 1.218 0.000 . . . . . A 27 ALA QB . 25761 1 291 . 1 1 27 27 ALA CA C 13 50.742 0.000 . . . . . A 27 ALA CA . 25761 1 292 . 1 1 27 27 ALA CB C 13 16.531 0.000 . . . . . A 27 ALA CB . 25761 1 293 . 1 1 27 27 ALA N N 15 134.206 0.000 . . . . . A 27 ALA N . 25761 1 294 . 1 1 28 28 ARG H H 1 8.090 0.000 . . . . . A 28 ARG H . 25761 1 295 . 1 1 28 28 ARG HA H 1 4.208 0.000 . . . . . A 28 ARG HA . 25761 1 296 . 1 1 28 28 ARG HB2 H 1 1.586 0.000 . . . . . A 28 ARG HB2 . 25761 1 297 . 1 1 28 28 ARG HB3 H 1 1.458 0.000 . . . . . A 28 ARG HB3 . 25761 1 298 . 1 1 28 28 ARG HG2 H 1 1.395 0.000 . . . . . A 28 ARG HG2 . 25761 1 299 . 1 1 28 28 ARG HG3 H 1 1.365 0.000 . . . . . A 28 ARG HG3 . 25761 1 300 . 1 1 28 28 ARG HD2 H 1 2.856 0.000 . . . . . A 28 ARG QD . 25761 1 301 . 1 1 28 28 ARG HD3 H 1 2.856 0.000 . . . . . A 28 ARG QD . 25761 1 302 . 1 1 28 28 ARG CA C 13 53.658 0.000 . . . . . A 28 ARG CA . 25761 1 303 . 1 1 28 28 ARG CB C 13 31.000 0.000 . . . . . A 28 ARG CB . 25761 1 304 . 1 1 28 28 ARG CG C 13 25.452 0.000 . . . . . A 28 ARG CG . 25761 1 305 . 1 1 28 28 ARG CD C 13 40.458 0.000 . . . . . A 28 ARG CD . 25761 1 306 . 1 1 28 28 ARG N N 15 117.751 0.000 . . . . . A 28 ARG N . 25761 1 307 . 1 1 29 29 LYS H H 1 8.536 0.000 . . . . . A 29 LYS H . 25761 1 308 . 1 1 29 29 LYS HA H 1 3.109 0.000 . . . . . A 29 LYS HA . 25761 1 309 . 1 1 29 29 LYS HB2 H 1 1.058 0.000 . . . . . A 29 LYS HB2 . 25761 1 310 . 1 1 29 29 LYS HB3 H 1 1.205 0.000 . . . . . A 29 LYS HB3 . 25761 1 311 . 1 1 29 29 LYS HG2 H 1 1.409 0.000 . . . . . A 29 LYS QG . 25761 1 312 . 1 1 29 29 LYS HG3 H 1 1.409 0.000 . . . . . A 29 LYS QG . 25761 1 313 . 1 1 29 29 LYS HE2 H 1 2.837 0.000 . . . . . A 29 LYS HE2 . 25761 1 314 . 1 1 29 29 LYS CA C 13 52.792 0.000 . . . . . A 29 LYS CA . 25761 1 315 . 1 1 29 29 LYS CB C 13 30.289 0.000 . . . . . A 29 LYS CB . 25761 1 316 . 1 1 29 29 LYS CG C 13 26.935 0.000 . . . . . A 29 LYS CG . 25761 1 317 . 1 1 29 29 LYS CD C 13 21.700 0.000 . . . . . A 29 LYS CD . 25761 1 318 . 1 1 29 29 LYS CE C 13 39.408 0.000 . . . . . A 29 LYS CE . 25761 1 319 . 1 1 29 29 LYS N N 15 128.417 0.000 . . . . . A 29 LYS N . 25761 1 320 . 1 1 30 30 GLY HA2 H 1 2.886 0.000 . . . . . A 30 GLY HA2 . 25761 1 321 . 1 1 30 30 GLY HA3 H 1 3.804 0.000 . . . . . A 30 GLY HA3 . 25761 1 322 . 1 1 30 30 GLY CA C 13 40.858 0.000 . . . . . A 30 GLY CA . 25761 1 323 . 1 1 31 31 ASP H H 1 8.445 0.000 . . . . . A 31 ASP H . 25761 1 324 . 1 1 31 31 ASP HA H 1 4.504 0.000 . . . . . A 31 ASP HA . 25761 1 325 . 1 1 31 31 ASP HB2 H 1 2.492 0.000 . . . . . A 31 ASP HB2 . 25761 1 326 . 1 1 31 31 ASP HB3 H 1 2.701 0.000 . . . . . A 31 ASP HB3 . 25761 1 327 . 1 1 31 31 ASP CA C 13 52.637 0.000 . . . . . A 31 ASP CA . 25761 1 328 . 1 1 31 31 ASP CB C 13 40.350 0.000 . . . . . A 31 ASP CB . 25761 1 329 . 1 1 31 31 ASP N N 15 120.477 0.000 . . . . . A 31 ASP N . 25761 1 330 . 1 1 32 32 ALA H H 1 9.236 0.000 . . . . . A 32 ALA H . 25761 1 331 . 1 1 32 32 ALA HA H 1 4.369 0.000 . . . . . A 32 ALA HA . 25761 1 332 . 1 1 32 32 ALA HB1 H 1 1.620 0.000 . . . . . A 32 ALA QB . 25761 1 333 . 1 1 32 32 ALA HB2 H 1 1.620 0.000 . . . . . A 32 ALA QB . 25761 1 334 . 1 1 32 32 ALA HB3 H 1 1.620 0.000 . . . . . A 32 ALA QB . 25761 1 335 . 1 1 32 32 ALA CA C 13 53.287 0.000 . . . . . A 32 ALA CA . 25761 1 336 . 1 1 32 32 ALA CB C 13 17.055 0.000 . . . . . A 32 ALA CB . 25761 1 337 . 1 1 32 32 ALA N N 15 133.865 0.000 . . . . . A 32 ALA N . 25761 1 338 . 1 1 33 33 ARG H H 1 7.913 0.000 . . . . . A 33 ARG H . 25761 1 339 . 1 1 33 33 ARG HA H 1 4.414 0.000 . . . . . A 33 ARG HA . 25761 1 340 . 1 1 33 33 ARG HB2 H 1 1.911 0.000 . . . . . A 33 ARG QB . 25761 1 341 . 1 1 33 33 ARG HB3 H 1 1.911 0.000 . . . . . A 33 ARG QB . 25761 1 342 . 1 1 33 33 ARG HG2 H 1 1.662 0.000 . . . . . A 33 ARG HG2 . 25761 1 343 . 1 1 33 33 ARG HG3 H 1 1.570 0.000 . . . . . A 33 ARG HG3 . 25761 1 344 . 1 1 33 33 ARG CA C 13 55.785 0.000 . . . . . A 33 ARG CA . 25761 1 345 . 1 1 33 33 ARG CB C 13 28.183 0.000 . . . . . A 33 ARG CB . 25761 1 346 . 1 1 33 33 ARG CG C 13 24.996 0.000 . . . . . A 33 ARG CG . 25761 1 347 . 1 1 33 33 ARG N N 15 113.991 0.000 . . . . . A 33 ARG N . 25761 1 348 . 1 1 34 34 ALA H H 1 8.306 0.000 . . . . . A 34 ALA H . 25761 1 349 . 1 1 34 34 ALA HA H 1 4.674 0.000 . . . . . A 34 ALA HA . 25761 1 350 . 1 1 34 34 ALA HB1 H 1 1.216 0.000 . . . . . A 34 ALA QB . 25761 1 351 . 1 1 34 34 ALA HB2 H 1 1.216 0.000 . . . . . A 34 ALA QB . 25761 1 352 . 1 1 34 34 ALA HB3 H 1 1.216 0.000 . . . . . A 34 ALA QB . 25761 1 353 . 1 1 34 34 ALA CA C 13 48.536 0.000 . . . . . A 34 ALA CA . 25761 1 354 . 1 1 34 34 ALA CB C 13 17.814 0.000 . . . . . A 34 ALA CB . 25761 1 355 . 1 1 34 34 ALA N N 15 120.593 0.000 . . . . . A 34 ALA N . 25761 1 356 . 1 1 35 35 GLY H H 1 7.715 0.000 . . . . . A 35 GLY H . 25761 1 357 . 1 1 35 35 GLY HA2 H 1 4.076 0.000 . . . . . A 35 GLY HA2 . 25761 1 358 . 1 1 35 35 GLY HA3 H 1 4.136 0.000 . . . . . A 35 GLY HA3 . 25761 1 359 . 1 1 35 35 GLY CA C 13 44.450 0.000 . . . . . A 35 GLY CA . 25761 1 360 . 1 1 35 35 GLY N N 15 107.349 0.000 . . . . . A 35 GLY N . 25761 1 361 . 1 1 36 36 ALA H H 1 8.935 0.000 . . . . . A 36 ALA H . 25761 1 362 . 1 1 36 36 ALA HA H 1 4.358 0.000 . . . . . A 36 ALA HA . 25761 1 363 . 1 1 36 36 ALA HB1 H 1 1.365 0.000 . . . . . A 36 ALA QB . 25761 1 364 . 1 1 36 36 ALA HB2 H 1 1.365 0.000 . . . . . A 36 ALA QB . 25761 1 365 . 1 1 36 36 ALA HB3 H 1 1.365 0.000 . . . . . A 36 ALA QB . 25761 1 366 . 1 1 36 36 ALA CA C 13 49.141 0.000 . . . . . A 36 ALA CA . 25761 1 367 . 1 1 36 36 ALA CB C 13 16.967 0.000 . . . . . A 36 ALA CB . 25761 1 368 . 1 1 36 36 ALA N N 15 127.073 0.000 . . . . . A 36 ALA N . 25761 1 369 . 1 1 37 37 VAL H H 1 7.830 0.000 . . . . . A 37 VAL H . 25761 1 370 . 1 1 37 37 VAL HA H 1 4.749 0.000 . . . . . A 37 VAL HA . 25761 1 371 . 1 1 37 37 VAL HB H 1 1.792 0.000 . . . . . A 37 VAL HB . 25761 1 372 . 1 1 37 37 VAL HG11 H 1 0.958 0.000 . . . . . A 37 VAL QG1 . 25761 1 373 . 1 1 37 37 VAL HG12 H 1 0.958 0.000 . . . . . A 37 VAL QG1 . 25761 1 374 . 1 1 37 37 VAL HG13 H 1 0.958 0.000 . . . . . A 37 VAL QG1 . 25761 1 375 . 1 1 37 37 VAL HG21 H 1 0.467 0.000 . . . . . A 37 VAL QG2 . 25761 1 376 . 1 1 37 37 VAL HG22 H 1 0.467 0.000 . . . . . A 37 VAL QG2 . 25761 1 377 . 1 1 37 37 VAL HG23 H 1 0.467 0.000 . . . . . A 37 VAL QG2 . 25761 1 378 . 1 1 37 37 VAL CB C 13 33.582 0.000 . . . . . A 37 VAL CB . 25761 1 379 . 1 1 37 37 VAL CG1 C 13 20.272 0.000 . . . . . A 37 VAL CG1 . 25761 1 380 . 1 1 37 37 VAL CG2 C 13 19.660 0.000 . . . . . A 37 VAL CG2 . 25761 1 381 . 1 1 37 37 VAL N N 15 116.903 0.000 . . . . . A 37 VAL N . 25761 1 382 . 1 1 38 38 LEU H H 1 8.926 0.000 . . . . . A 38 LEU H . 25761 1 383 . 1 1 38 38 LEU HA H 1 5.531 0.000 . . . . . A 38 LEU HA . 25761 1 384 . 1 1 38 38 LEU HB2 H 1 2.118 0.000 . . . . . A 38 LEU HB2 . 25761 1 385 . 1 1 38 38 LEU HB3 H 1 1.437 0.000 . . . . . A 38 LEU HB3 . 25761 1 386 . 1 1 38 38 LEU HG H 1 1.912 0.000 . . . . . A 38 LEU HG . 25761 1 387 . 1 1 38 38 LEU HD11 H 1 0.970 0.000 . . . . . A 38 LEU QD1 . 25761 1 388 . 1 1 38 38 LEU HD12 H 1 0.970 0.000 . . . . . A 38 LEU QD1 . 25761 1 389 . 1 1 38 38 LEU HD13 H 1 0.970 0.000 . . . . . A 38 LEU QD1 . 25761 1 390 . 1 1 38 38 LEU HD21 H 1 1.130 0.000 . . . . . A 38 LEU QD2 . 25761 1 391 . 1 1 38 38 LEU HD22 H 1 1.130 0.000 . . . . . A 38 LEU QD2 . 25761 1 392 . 1 1 38 38 LEU HD23 H 1 1.130 0.000 . . . . . A 38 LEU QD2 . 25761 1 393 . 1 1 38 38 LEU CA C 13 50.875 0.000 . . . . . A 38 LEU CA . 25761 1 394 . 1 1 38 38 LEU CB C 13 41.970 0.000 . . . . . A 38 LEU CB . 25761 1 395 . 1 1 38 38 LEU CG C 13 24.595 0.000 . . . . . A 38 LEU CG . 25761 1 396 . 1 1 38 38 LEU CD1 C 13 23.700 0.000 . . . . . A 38 LEU CD1 . 25761 1 397 . 1 1 38 38 LEU CD2 C 13 21.604 0.000 . . . . . A 38 LEU CD2 . 25761 1 398 . 1 1 38 38 LEU N N 15 126.366 0.000 . . . . . A 38 LEU N . 25761 1 399 . 1 1 39 39 VAL H H 1 8.819 0.000 . . . . . A 39 VAL H . 25761 1 400 . 1 1 39 39 VAL HA H 1 4.879 0.000 . . . . . A 39 VAL HA . 25761 1 401 . 1 1 39 39 VAL HB H 1 1.764 0.000 . . . . . A 39 VAL HB . 25761 1 402 . 1 1 39 39 VAL HG11 H 1 0.696 0.000 . . . . . A 39 VAL QG1 . 25761 1 403 . 1 1 39 39 VAL HG12 H 1 0.696 0.000 . . . . . A 39 VAL QG1 . 25761 1 404 . 1 1 39 39 VAL HG13 H 1 0.696 0.000 . . . . . A 39 VAL QG1 . 25761 1 405 . 1 1 39 39 VAL HG21 H 1 0.765 0.000 . . . . . A 39 VAL QG2 . 25761 1 406 . 1 1 39 39 VAL HG22 H 1 0.765 0.000 . . . . . A 39 VAL QG2 . 25761 1 407 . 1 1 39 39 VAL HG23 H 1 0.765 0.000 . . . . . A 39 VAL QG2 . 25761 1 408 . 1 1 39 39 VAL CA C 13 58.343 0.000 . . . . . A 39 VAL CA . 25761 1 409 . 1 1 39 39 VAL CB C 13 32.192 0.000 . . . . . A 39 VAL CB . 25761 1 410 . 1 1 39 39 VAL CG1 C 13 19.356 0.000 . . . . . A 39 VAL CG1 . 25761 1 411 . 1 1 39 39 VAL CG2 C 13 17.997 0.000 . . . . . A 39 VAL CG2 . 25761 1 412 . 1 1 39 39 VAL N N 15 121.843 0.000 . . . . . A 39 VAL N . 25761 1 413 . 1 1 40 40 LYS H H 1 9.438 0.000 . . . . . A 40 LYS H . 25761 1 414 . 1 1 40 40 LYS HA H 1 5.279 0.000 . . . . . A 40 LYS HA . 25761 1 415 . 1 1 40 40 LYS HB2 H 1 1.810 0.000 . . . . . A 40 LYS HB2 . 25761 1 416 . 1 1 40 40 LYS HB3 H 1 1.351 0.000 . . . . . A 40 LYS HB3 . 25761 1 417 . 1 1 40 40 LYS HG3 H 1 1.021 0.000 . . . . . A 40 LYS HG3 . 25761 1 418 . 1 1 40 40 LYS HD2 H 1 1.517 0.000 . . . . . A 40 LYS HD2 . 25761 1 419 . 1 1 40 40 LYS HD3 H 1 1.457 0.000 . . . . . A 40 LYS HD3 . 25761 1 420 . 1 1 40 40 LYS HE2 H 1 2.368 0.000 . . . . . A 40 LYS HE2 . 25761 1 421 . 1 1 40 40 LYS HE3 H 1 2.576 0.000 . . . . . A 40 LYS HE3 . 25761 1 422 . 1 1 40 40 LYS CA C 13 47.991 0.000 . . . . . A 40 LYS CA . 25761 1 423 . 1 1 40 40 LYS CB C 13 31.682 0.000 . . . . . A 40 LYS CB . 25761 1 424 . 1 1 40 40 LYS CG C 13 23.565 0.000 . . . . . A 40 LYS CG . 25761 1 425 . 1 1 40 40 LYS CD C 13 27.075 0.000 . . . . . A 40 LYS CD . 25761 1 426 . 1 1 40 40 LYS CE C 13 38.910 0.000 . . . . . A 40 LYS CE . 25761 1 427 . 1 1 40 40 LYS N N 15 129.592 0.000 . . . . . A 40 LYS N . 25761 1 428 . 1 1 41 41 ALA H H 1 9.349 0.000 . . . . . A 41 ALA H . 25761 1 429 . 1 1 41 41 ALA HA H 1 5.249 0.000 . . . . . A 41 ALA HA . 25761 1 430 . 1 1 41 41 ALA HB1 H 1 1.313 0.000 . . . . . A 41 ALA QB . 25761 1 431 . 1 1 41 41 ALA HB2 H 1 1.313 0.000 . . . . . A 41 ALA QB . 25761 1 432 . 1 1 41 41 ALA HB3 H 1 1.313 0.000 . . . . . A 41 ALA QB . 25761 1 433 . 1 1 41 41 ALA CA C 13 51.816 0.000 . . . . . A 41 ALA CA . 25761 1 434 . 1 1 41 41 ALA CB C 13 17.645 0.000 . . . . . A 41 ALA CB . 25761 1 435 . 1 1 41 41 ALA N N 15 131.659 0.000 . . . . . A 41 ALA N . 25761 1 436 . 1 1 42 42 VAL H H 1 9.517 0.000 . . . . . A 42 VAL H . 25761 1 437 . 1 1 42 42 VAL HA H 1 4.269 0.000 . . . . . A 42 VAL HA . 25761 1 438 . 1 1 42 42 VAL HB H 1 2.022 0.000 . . . . . A 42 VAL HB . 25761 1 439 . 1 1 42 42 VAL HG21 H 1 0.830 0.000 . . . . . A 42 VAL QG2 . 25761 1 440 . 1 1 42 42 VAL HG22 H 1 0.830 0.000 . . . . . A 42 VAL QG2 . 25761 1 441 . 1 1 42 42 VAL HG23 H 1 0.830 0.000 . . . . . A 42 VAL QG2 . 25761 1 442 . 1 1 42 42 VAL CA C 13 59.621 0.000 . . . . . A 42 VAL CA . 25761 1 443 . 1 1 42 42 VAL CB C 13 31.878 0.000 . . . . . A 42 VAL CB . 25761 1 444 . 1 1 42 42 VAL CG1 C 13 18.233 0.000 . . . . . A 42 VAL CG1 . 25761 1 445 . 1 1 42 42 VAL CG2 C 13 18.775 0.000 . . . . . A 42 VAL CG2 . 25761 1 446 . 1 1 42 42 VAL N N 15 127.668 0.000 . . . . . A 42 VAL N . 25761 1 447 . 1 1 43 43 ASP H H 1 8.821 0.000 . . . . . A 43 ASP H . 25761 1 448 . 1 1 43 43 ASP HA H 1 4.886 0.000 . . . . . A 43 ASP HA . 25761 1 449 . 1 1 43 43 ASP HB2 H 1 3.207 0.000 . . . . . A 43 ASP HB2 . 25761 1 450 . 1 1 43 43 ASP HB3 H 1 2.308 0.000 . . . . . A 43 ASP HB3 . 25761 1 451 . 1 1 43 43 ASP CA C 13 49.630 0.000 . . . . . A 43 ASP CA . 25761 1 452 . 1 1 43 43 ASP CB C 13 38.527 0.000 . . . . . A 43 ASP CB . 25761 1 453 . 1 1 43 43 ASP N N 15 127.524 0.000 . . . . . A 43 ASP N . 25761 1 454 . 1 1 44 44 ARG H H 1 8.435 0.000 . . . . . A 44 ARG H . 25761 1 455 . 1 1 44 44 ARG HA H 1 4.095 0.000 . . . . . A 44 ARG HA . 25761 1 456 . 1 1 44 44 ARG HB2 H 1 1.627 0.000 . . . . . A 44 ARG HB2 . 25761 1 457 . 1 1 44 44 ARG HB3 H 1 1.830 0.000 . . . . . A 44 ARG HB3 . 25761 1 458 . 1 1 44 44 ARG HG2 H 1 1.537 0.000 . . . . . A 44 ARG HG2 . 25761 1 459 . 1 1 44 44 ARG HG3 H 1 1.665 0.000 . . . . . A 44 ARG HG3 . 25761 1 460 . 1 1 44 44 ARG HD2 H 1 3.139 0.000 . . . . . A 44 ARG HD2 . 25761 1 461 . 1 1 44 44 ARG HD3 H 1 3.072 0.000 . . . . . A 44 ARG HD3 . 25761 1 462 . 1 1 44 44 ARG CA C 13 54.671 0.000 . . . . . A 44 ARG CA . 25761 1 463 . 1 1 44 44 ARG CB C 13 28.094 0.000 . . . . . A 44 ARG CB . 25761 1 464 . 1 1 44 44 ARG CG C 13 25.027 0.000 . . . . . A 44 ARG CG . 25761 1 465 . 1 1 44 44 ARG CD C 13 40.853 0.000 . . . . . A 44 ARG CD . 25761 1 466 . 1 1 44 44 ARG N N 15 123.676 0.000 . . . . . A 44 ARG N . 25761 1 467 . 1 1 45 45 ARG H H 1 8.551 0.000 . . . . . A 45 ARG H . 25761 1 468 . 1 1 45 45 ARG HA H 1 4.131 0.000 . . . . . A 45 ARG HA . 25761 1 469 . 1 1 45 45 ARG HB2 H 1 2.046 0.000 . . . . . A 45 ARG QB . 25761 1 470 . 1 1 45 45 ARG HB3 H 1 2.046 0.000 . . . . . A 45 ARG QB . 25761 1 471 . 1 1 45 45 ARG HG2 H 1 1.712 0.000 . . . . . A 45 ARG HG2 . 25761 1 472 . 1 1 45 45 ARG HG3 H 1 1.533 0.000 . . . . . A 45 ARG HG3 . 25761 1 473 . 1 1 45 45 ARG HD2 H 1 3.211 0.000 . . . . . A 45 ARG QD . 25761 1 474 . 1 1 45 45 ARG HD3 H 1 3.211 0.000 . . . . . A 45 ARG QD . 25761 1 475 . 1 1 45 45 ARG CA C 13 56.607 0.000 . . . . . A 45 ARG CA . 25761 1 476 . 1 1 45 45 ARG CB C 13 28.064 0.000 . . . . . A 45 ARG CB . 25761 1 477 . 1 1 45 45 ARG CG C 13 25.031 0.000 . . . . . A 45 ARG CG . 25761 1 478 . 1 1 45 45 ARG CD C 13 41.178 0.000 . . . . . A 45 ARG CD . 25761 1 479 . 1 1 45 45 ARG N N 15 120.486 0.000 . . . . . A 45 ARG N . 25761 1 480 . 1 1 46 46 GLU H H 1 7.918 0.000 . . . . . A 46 GLU H . 25761 1 481 . 1 1 46 46 GLU HA H 1 4.253 0.000 . . . . . A 46 GLU HA . 25761 1 482 . 1 1 46 46 GLU HB2 H 1 2.080 0.000 . . . . . A 46 GLU HB2 . 25761 1 483 . 1 1 46 46 GLU HB3 H 1 1.665 0.000 . . . . . A 46 GLU HB3 . 25761 1 484 . 1 1 46 46 GLU HG2 H 1 2.286 0.000 . . . . . A 46 GLU HG2 . 25761 1 485 . 1 1 46 46 GLU HG3 H 1 2.176 0.000 . . . . . A 46 GLU HG3 . 25761 1 486 . 1 1 46 46 GLU CA C 13 53.438 0.000 . . . . . A 46 GLU CA . 25761 1 487 . 1 1 46 46 GLU CB C 13 28.616 0.000 . . . . . A 46 GLU CB . 25761 1 488 . 1 1 46 46 GLU CG C 13 33.840 0.000 . . . . . A 46 GLU CG . 25761 1 489 . 1 1 46 46 GLU N N 15 116.189 0.000 . . . . . A 46 GLU N . 25761 1 490 . 1 1 47 47 GLY H H 1 8.159 0.000 . . . . . A 47 GLY H . 25761 1 491 . 1 1 47 47 GLY HA2 H 1 3.872 0.000 . . . . . A 47 GLY HA2 . 25761 1 492 . 1 1 47 47 GLY HA3 H 1 4.018 0.000 . . . . . A 47 GLY HA3 . 25761 1 493 . 1 1 47 47 GLY CA C 13 43.970 0.000 . . . . . A 47 GLY CA . 25761 1 494 . 1 1 47 47 GLY N N 15 108.218 0.000 . . . . . A 47 GLY N . 25761 1 495 . 1 1 48 48 THR H H 1 7.485 0.000 . . . . . A 48 THR H . 25761 1 496 . 1 1 48 48 THR HA H 1 4.639 0.000 . . . . . A 48 THR HA . 25761 1 497 . 1 1 48 48 THR HB H 1 4.288 0.000 . . . . . A 48 THR HB . 25761 1 498 . 1 1 48 48 THR HG21 H 1 1.123 0.000 . . . . . A 48 THR QG2 . 25761 1 499 . 1 1 48 48 THR HG22 H 1 1.123 0.000 . . . . . A 48 THR QG2 . 25761 1 500 . 1 1 48 48 THR HG23 H 1 1.123 0.000 . . . . . A 48 THR QG2 . 25761 1 501 . 1 1 48 48 THR CA C 13 57.215 0.000 . . . . . A 48 THR CA . 25761 1 502 . 1 1 48 48 THR CB C 13 69.275 0.000 . . . . . A 48 THR CB . 25761 1 503 . 1 1 48 48 THR CG2 C 13 19.417 0.000 . . . . . A 48 THR CG2 . 25761 1 504 . 1 1 48 48 THR N N 15 109.683 0.000 . . . . . A 48 THR N . 25761 1 505 . 1 1 49 49 ALA H H 1 8.530 0.000 . . . . . A 49 ALA H . 25761 1 506 . 1 1 49 49 ALA HA H 1 5.156 0.000 . . . . . A 49 ALA HA . 25761 1 507 . 1 1 49 49 ALA HB1 H 1 1.025 0.000 . . . . . A 49 ALA QB . 25761 1 508 . 1 1 49 49 ALA HB2 H 1 1.025 0.000 . . . . . A 49 ALA QB . 25761 1 509 . 1 1 49 49 ALA HB3 H 1 1.025 0.000 . . . . . A 49 ALA QB . 25761 1 510 . 1 1 49 49 ALA CA C 13 48.011 0.000 . . . . . A 49 ALA CA . 25761 1 511 . 1 1 49 49 ALA CB C 13 21.004 0.000 . . . . . A 49 ALA CB . 25761 1 512 . 1 1 49 49 ALA N N 15 122.571 0.000 . . . . . A 49 ALA N . 25761 1 513 . 1 1 50 50 ARG H H 1 8.168 0.000 . . . . . A 50 ARG H . 25761 1 514 . 1 1 50 50 ARG HA H 1 4.640 0.000 . . . . . A 50 ARG HA . 25761 1 515 . 1 1 50 50 ARG HB2 H 1 1.426 0.000 . . . . . A 50 ARG HB2 . 25761 1 516 . 1 1 50 50 ARG HB3 H 1 0.968 0.000 . . . . . A 50 ARG HB3 . 25761 1 517 . 1 1 50 50 ARG HG2 H 1 1.593 0.000 . . . . . A 50 ARG QG . 25761 1 518 . 1 1 50 50 ARG HG3 H 1 1.593 0.000 . . . . . A 50 ARG QG . 25761 1 519 . 1 1 50 50 ARG HD2 H 1 3.048 0.000 . . . . . A 50 ARG HD2 . 25761 1 520 . 1 1 50 50 ARG HD3 H 1 3.218 0.000 . . . . . A 50 ARG HD3 . 25761 1 521 . 1 1 50 50 ARG CA C 13 51.506 0.000 . . . . . A 50 ARG CA . 25761 1 522 . 1 1 50 50 ARG CB C 13 33.832 0.000 . . . . . A 50 ARG CB . 25761 1 523 . 1 1 50 50 ARG CG C 13 25.186 0.000 . . . . . A 50 ARG CG . 25761 1 524 . 1 1 50 50 ARG CD C 13 41.528 0.000 . . . . . A 50 ARG CD . 25761 1 525 . 1 1 50 50 ARG N N 15 115.654 0.000 . . . . . A 50 ARG N . 25761 1 526 . 1 1 51 51 LEU H H 1 8.213 0.000 . . . . . A 51 LEU H . 25761 1 527 . 1 1 51 51 LEU HA H 1 5.274 0.000 . . . . . A 51 LEU HA . 25761 1 528 . 1 1 51 51 LEU HB2 H 1 1.107 0.000 . . . . . A 51 LEU HB2 . 25761 1 529 . 1 1 51 51 LEU HB3 H 1 1.834 0.000 . . . . . A 51 LEU HB3 . 25761 1 530 . 1 1 51 51 LEU HG H 1 1.204 0.000 . . . . . A 51 LEU HG . 25761 1 531 . 1 1 51 51 LEU HD11 H 1 0.878 0.000 . . . . . A 51 LEU QD1 . 25761 1 532 . 1 1 51 51 LEU HD12 H 1 0.878 0.000 . . . . . A 51 LEU QD1 . 25761 1 533 . 1 1 51 51 LEU HD13 H 1 0.878 0.000 . . . . . A 51 LEU QD1 . 25761 1 534 . 1 1 51 51 LEU HD21 H 1 0.843 0.000 . . . . . A 51 LEU QD2 . 25761 1 535 . 1 1 51 51 LEU HD22 H 1 0.843 0.000 . . . . . A 51 LEU QD2 . 25761 1 536 . 1 1 51 51 LEU HD23 H 1 0.843 0.000 . . . . . A 51 LEU QD2 . 25761 1 537 . 1 1 51 51 LEU CA C 13 50.376 0.000 . . . . . A 51 LEU CA . 25761 1 538 . 1 1 51 51 LEU CB C 13 44.159 0.000 . . . . . A 51 LEU CB . 25761 1 539 . 1 1 51 51 LEU CG C 13 23.507 0.000 . . . . . A 51 LEU CG . 25761 1 540 . 1 1 51 51 LEU CD1 C 13 22.881 0.000 . . . . . A 51 LEU CD1 . 25761 1 541 . 1 1 51 51 LEU CD2 C 13 24.745 0.000 . . . . . A 51 LEU CD2 . 25761 1 542 . 1 1 51 51 LEU N N 15 122.400 0.000 . . . . . A 51 LEU N . 25761 1 543 . 1 1 52 52 PHE H H 1 9.546 0.000 . . . . . A 52 PHE H . 25761 1 544 . 1 1 52 52 PHE HA H 1 5.550 0.000 . . . . . A 52 PHE HA . 25761 1 545 . 1 1 52 52 PHE HB2 H 1 2.614 0.000 . . . . . A 52 PHE HB2 . 25761 1 546 . 1 1 52 52 PHE HB3 H 1 3.241 0.000 . . . . . A 52 PHE HB3 . 25761 1 547 . 1 1 52 52 PHE HD1 H 1 6.810 0.000 . . . . . A 52 PHE QD . 25761 1 548 . 1 1 52 52 PHE HD2 H 1 6.810 0.000 . . . . . A 52 PHE QD . 25761 1 549 . 1 1 52 52 PHE HE1 H 1 6.992 0.000 . . . . . A 52 PHE QE . 25761 1 550 . 1 1 52 52 PHE HE2 H 1 6.992 0.000 . . . . . A 52 PHE QE . 25761 1 551 . 1 1 52 52 PHE CA C 13 53.674 0.000 . . . . . A 52 PHE CA . 25761 1 552 . 1 1 52 52 PHE CB C 13 40.619 0.000 . . . . . A 52 PHE CB . 25761 1 553 . 1 1 52 52 PHE CD1 C 13 134.341 0.000 . . . . . A 52 PHE CD1 . 25761 1 554 . 1 1 52 52 PHE CD2 C 13 134.357 0.000 . . . . . A 52 PHE CD2 . 25761 1 555 . 1 1 52 52 PHE CE1 C 13 134.126 0.000 . . . . . A 52 PHE CE1 . 25761 1 556 . 1 1 52 52 PHE CE2 C 13 134.126 0.000 . . . . . A 52 PHE CE2 . 25761 1 557 . 1 1 52 52 PHE N N 15 124.579 0.000 . . . . . A 52 PHE N . 25761 1 558 . 1 1 53 53 SER H H 1 9.727 0.000 . . . . . A 53 SER H . 25761 1 559 . 1 1 53 53 SER HA H 1 5.267 0.000 . . . . . A 53 SER HA . 25761 1 560 . 1 1 53 53 SER HB2 H 1 3.562 0.000 . . . . . A 53 SER HB2 . 25761 1 561 . 1 1 53 53 SER HB3 H 1 3.491 0.000 . . . . . A 53 SER HB3 . 25761 1 562 . 1 1 53 53 SER HG H 1 3.766 0.000 . . . . . A 53 SER HG . 25761 1 563 . 1 1 53 53 SER CA C 13 53.513 0.000 . . . . . A 53 SER CA . 25761 1 564 . 1 1 53 53 SER CB C 13 64.255 0.000 . . . . . A 53 SER CB . 25761 1 565 . 1 1 53 53 SER N N 15 115.953 0.000 . . . . . A 53 SER N . 25761 1 566 . 1 1 54 54 GLU H H 1 8.431 0.000 . . . . . A 54 GLU H . 25761 1 567 . 1 1 54 54 GLU HA H 1 3.608 0.000 . . . . . A 54 GLU HA . 25761 1 568 . 1 1 54 54 GLU HB2 H 1 1.272 0.000 . . . . . A 54 GLU HB2 . 25761 1 569 . 1 1 54 54 GLU HB3 H 1 1.181 0.000 . . . . . A 54 GLU HB3 . 25761 1 570 . 1 1 54 54 GLU HG2 H 1 1.051 0.000 . . . . . A 54 GLU HG2 . 25761 1 571 . 1 1 54 54 GLU HG3 H 1 0.924 0.000 . . . . . A 54 GLU HG3 . 25761 1 572 . 1 1 54 54 GLU CA C 13 53.317 0.000 . . . . . A 54 GLU CA . 25761 1 573 . 1 1 54 54 GLU CB C 13 32.677 0.000 . . . . . A 54 GLU CB . 25761 1 574 . 1 1 54 54 GLU CG C 13 27.898 0.000 . . . . . A 54 GLU CG . 25761 1 575 . 1 1 54 54 GLU N N 15 124.987 0.000 . . . . . A 54 GLU N . 25761 1 576 . 1 1 55 55 ALA H H 1 8.430 0.000 . . . . . A 55 ALA H . 25761 1 577 . 1 1 55 55 ALA HA H 1 4.260 0.000 . . . . . A 55 ALA HA . 25761 1 578 . 1 1 55 55 ALA HB1 H 1 0.532 0.000 . . . . . A 55 ALA QB . 25761 1 579 . 1 1 55 55 ALA HB2 H 1 0.532 0.000 . . . . . A 55 ALA QB . 25761 1 580 . 1 1 55 55 ALA HB3 H 1 0.532 0.000 . . . . . A 55 ALA QB . 25761 1 581 . 1 1 55 55 ALA CA C 13 48.005 0.000 . . . . . A 55 ALA CA . 25761 1 582 . 1 1 55 55 ALA CB C 13 19.682 0.000 . . . . . A 55 ALA CB . 25761 1 583 . 1 1 55 55 ALA N N 15 127.789 0.000 . . . . . A 55 ALA N . 25761 1 584 . 1 1 56 56 THR H H 1 7.923 0.000 . . . . . A 56 THR H . 25761 1 585 . 1 1 56 56 THR HA H 1 5.038 0.000 . . . . . A 56 THR HA . 25761 1 586 . 1 1 56 56 THR HB H 1 3.741 0.000 . . . . . A 56 THR HB . 25761 1 587 . 1 1 56 56 THR HG21 H 1 0.976 0.000 . . . . . A 56 THR QG2 . 25761 1 588 . 1 1 56 56 THR HG22 H 1 0.976 0.000 . . . . . A 56 THR QG2 . 25761 1 589 . 1 1 56 56 THR HG23 H 1 0.976 0.000 . . . . . A 56 THR QG2 . 25761 1 590 . 1 1 56 56 THR CA C 13 58.078 0.000 . . . . . A 56 THR CA . 25761 1 591 . 1 1 56 56 THR CB C 13 68.505 0.000 . . . . . A 56 THR CB . 25761 1 592 . 1 1 56 56 THR CG2 C 13 19.071 0.000 . . . . . A 56 THR CG2 . 25761 1 593 . 1 1 56 56 THR N N 15 111.341 0.000 . . . . . A 56 THR N . 25761 1 594 . 1 1 57 57 ARG H H 1 9.054 0.000 . . . . . A 57 ARG H . 25761 1 595 . 1 1 57 57 ARG HA H 1 4.587 0.000 . . . . . A 57 ARG HA . 25761 1 596 . 1 1 57 57 ARG HB2 H 1 1.855 0.000 . . . . . A 57 ARG QB . 25761 1 597 . 1 1 57 57 ARG HB3 H 1 1.855 0.000 . . . . . A 57 ARG QB . 25761 1 598 . 1 1 57 57 ARG HG2 H 1 1.500 0.000 . . . . . A 57 ARG QG . 25761 1 599 . 1 1 57 57 ARG HG3 H 1 1.500 0.000 . . . . . A 57 ARG QG . 25761 1 600 . 1 1 57 57 ARG HD2 H 1 2.775 0.000 . . . . . A 57 ARG HD2 . 25761 1 601 . 1 1 57 57 ARG HD3 H 1 2.462 0.000 . . . . . A 57 ARG HD3 . 25761 1 602 . 1 1 57 57 ARG CA C 13 52.325 0.000 . . . . . A 57 ARG CA . 25761 1 603 . 1 1 57 57 ARG CB C 13 29.667 0.000 . . . . . A 57 ARG CB . 25761 1 604 . 1 1 57 57 ARG CG C 13 24.405 0.000 . . . . . A 57 ARG CG . 25761 1 605 . 1 1 57 57 ARG CD C 13 40.833 0.000 . . . . . A 57 ARG CD . 25761 1 606 . 1 1 57 57 ARG N N 15 124.295 0.000 . . . . . A 57 ARG N . 25761 1 607 . 1 1 58 58 GLY H H 1 8.706 0.000 . . . . . A 58 GLY H . 25761 1 608 . 1 1 58 58 GLY HA2 H 1 3.817 0.000 . . . . . A 58 GLY HA2 . 25761 1 609 . 1 1 58 58 GLY HA3 H 1 3.744 0.000 . . . . . A 58 GLY HA3 . 25761 1 610 . 1 1 58 58 GLY CA C 13 44.596 0.000 . . . . . A 58 GLY CA . 25761 1 611 . 1 1 58 58 GLY N N 15 109.220 0.000 . . . . . A 58 GLY N . 25761 1 612 . 1 1 59 59 ASP H H 1 8.194 0.000 . . . . . A 59 ASP H . 25761 1 613 . 1 1 59 59 ASP HA H 1 4.586 0.000 . . . . . A 59 ASP HA . 25761 1 614 . 1 1 59 59 ASP HB2 H 1 2.583 0.000 . . . . . A 59 ASP HB2 . 25761 1 615 . 1 1 59 59 ASP HB3 H 1 2.763 0.000 . . . . . A 59 ASP HB3 . 25761 1 616 . 1 1 59 59 ASP CA C 13 50.369 0.000 . . . . . A 59 ASP CA . 25761 1 617 . 1 1 59 59 ASP CB C 13 37.397 0.000 . . . . . A 59 ASP CB . 25761 1 618 . 1 1 59 59 ASP N N 15 120.555 0.000 . . . . . A 59 ASP N . 25761 1 619 . 1 1 60 60 GLY H H 1 7.999 0.000 . . . . . A 60 GLY H . 25761 1 620 . 1 1 60 60 GLY HA2 H 1 3.471 0.000 . . . . . A 60 GLY HA2 . 25761 1 621 . 1 1 60 60 GLY HA3 H 1 4.123 0.000 . . . . . A 60 GLY HA3 . 25761 1 622 . 1 1 60 60 GLY CA C 13 42.913 0.000 . . . . . A 60 GLY CA . 25761 1 623 . 1 1 60 60 GLY N N 15 107.833 0.000 . . . . . A 60 GLY N . 25761 1 624 . 1 1 61 61 GLU H H 1 7.910 0.000 . . . . . A 61 GLU H . 25761 1 625 . 1 1 61 61 GLU HA H 1 4.186 0.000 . . . . . A 61 GLU HA . 25761 1 626 . 1 1 61 61 GLU HB2 H 1 1.902 0.000 . . . . . A 61 GLU HB2 . 25761 1 627 . 1 1 61 61 GLU HB3 H 1 2.008 0.000 . . . . . A 61 GLU HB3 . 25761 1 628 . 1 1 61 61 GLU HG2 H 1 2.223 0.000 . . . . . A 61 GLU HG2 . 25761 1 629 . 1 1 61 61 GLU HG3 H 1 2.064 0.000 . . . . . A 61 GLU HG3 . 25761 1 630 . 1 1 61 61 GLU CA C 13 53.994 0.000 . . . . . A 61 GLU CA . 25761 1 631 . 1 1 61 61 GLU CB C 13 27.931 0.000 . . . . . A 61 GLU CB . 25761 1 632 . 1 1 61 61 GLU CG C 13 33.971 0.000 . . . . . A 61 GLU CG . 25761 1 633 . 1 1 61 61 GLU N N 15 121.205 0.000 . . . . . A 61 GLU N . 25761 1 634 . 1 1 62 62 ARG H H 1 8.219 0.000 . . . . . A 62 ARG H . 25761 1 635 . 1 1 62 62 ARG HA H 1 4.812 0.000 . . . . . A 62 ARG HA . 25761 1 636 . 1 1 62 62 ARG HB2 H 1 1.563 0.000 . . . . . A 62 ARG HB2 . 25761 1 637 . 1 1 62 62 ARG HB3 H 1 1.505 0.000 . . . . . A 62 ARG HB3 . 25761 1 638 . 1 1 62 62 ARG HG2 H 1 1.363 0.000 . . . . . A 62 ARG HG2 . 25761 1 639 . 1 1 62 62 ARG HG3 H 1 1.205 0.000 . . . . . A 62 ARG HG3 . 25761 1 640 . 1 1 62 62 ARG HD2 H 1 2.737 0.000 . . . . . A 62 ARG HD2 . 25761 1 641 . 1 1 62 62 ARG HD3 H 1 2.779 0.000 . . . . . A 62 ARG HD3 . 25761 1 642 . 1 1 62 62 ARG CA C 13 52.887 0.000 . . . . . A 62 ARG CA . 25761 1 643 . 1 1 62 62 ARG CB C 13 28.918 0.000 . . . . . A 62 ARG CB . 25761 1 644 . 1 1 62 62 ARG CG C 13 24.840 0.000 . . . . . A 62 ARG CG . 25761 1 645 . 1 1 62 62 ARG CD C 13 40.530 0.000 . . . . . A 62 ARG CD . 25761 1 646 . 1 1 62 62 ARG N N 15 125.261 0.000 . . . . . A 62 ARG N . 25761 1 647 . 1 1 63 63 PHE H H 1 8.431 0.000 . . . . . A 63 PHE H . 25761 1 648 . 1 1 63 63 PHE HA H 1 4.879 0.000 . . . . . A 63 PHE HA . 25761 1 649 . 1 1 63 63 PHE HB2 H 1 2.903 0.000 . . . . . A 63 PHE HB2 . 25761 1 650 . 1 1 63 63 PHE HB3 H 1 2.800 0.000 . . . . . A 63 PHE HB3 . 25761 1 651 . 1 1 63 63 PHE HD1 H 1 6.920 0.000 . . . . . A 63 PHE QD . 25761 1 652 . 1 1 63 63 PHE HD2 H 1 6.920 0.000 . . . . . A 63 PHE QD . 25761 1 653 . 1 1 63 63 PHE HE1 H 1 7.340 0.000 . . . . . A 63 PHE QE . 25761 1 654 . 1 1 63 63 PHE HE2 H 1 7.340 0.000 . . . . . A 63 PHE QE . 25761 1 655 . 1 1 63 63 PHE CA C 13 52.800 0.000 . . . . . A 63 PHE CA . 25761 1 656 . 1 1 63 63 PHE CB C 13 39.163 0.000 . . . . . A 63 PHE CB . 25761 1 657 . 1 1 63 63 PHE CD1 C 13 135.393 0.000 . . . . . A 63 PHE CD1 . 25761 1 658 . 1 1 63 63 PHE CD2 C 13 135.393 0.000 . . . . . A 63 PHE CD2 . 25761 1 659 . 1 1 63 63 PHE CE1 C 13 128.297 0.000 . . . . . A 63 PHE CE1 . 25761 1 660 . 1 1 63 63 PHE CE2 C 13 128.261 0.000 . . . . . A 63 PHE CE2 . 25761 1 661 . 1 1 63 63 PHE N N 15 120.777 0.000 . . . . . A 63 PHE N . 25761 1 662 . 1 1 64 64 TRP H H 1 8.914 0.000 . . . . . A 64 TRP H . 25761 1 663 . 1 1 64 64 TRP HA H 1 5.026 0.000 . . . . . A 64 TRP HA . 25761 1 664 . 1 1 64 64 TRP HB2 H 1 3.006 0.000 . . . . . A 64 TRP HB2 . 25761 1 665 . 1 1 64 64 TRP HB3 H 1 2.865 0.000 . . . . . A 64 TRP HB3 . 25761 1 666 . 1 1 64 64 TRP HD1 H 1 6.816 0.000 . . . . . A 64 TRP HD1 . 25761 1 667 . 1 1 64 64 TRP HE1 H 1 10.727 0.000 . . . . . A 64 TRP HE1 . 25761 1 668 . 1 1 64 64 TRP HE3 H 1 7.166 0.000 . . . . . A 64 TRP HE3 . 25761 1 669 . 1 1 64 64 TRP HZ2 H 1 7.046 0.000 . . . . . A 64 TRP HZ2 . 25761 1 670 . 1 1 64 64 TRP HZ3 H 1 7.187 0.000 . . . . . A 64 TRP HZ3 . 25761 1 671 . 1 1 64 64 TRP HH2 H 1 6.499 0.000 . . . . . A 64 TRP HH2 . 25761 1 672 . 1 1 64 64 TRP CA C 13 53.189 0.000 . . . . . A 64 TRP CA . 25761 1 673 . 1 1 64 64 TRP CB C 13 29.883 0.000 . . . . . A 64 TRP CB . 25761 1 674 . 1 1 64 64 TRP CD1 C 13 130.049 0.000 . . . . . A 64 TRP CD1 . 25761 1 675 . 1 1 64 64 TRP CE3 C 13 122.681 0.000 . . . . . A 64 TRP CE3 . 25761 1 676 . 1 1 64 64 TRP CZ2 C 13 118.531 0.000 . . . . . A 64 TRP CZ2 . 25761 1 677 . 1 1 64 64 TRP CZ3 C 13 125.563 0.000 . . . . . A 64 TRP CZ3 . 25761 1 678 . 1 1 64 64 TRP CH2 C 13 127.057 0.000 . . . . . A 64 TRP CH2 . 25761 1 679 . 1 1 64 64 TRP N N 15 119.550 0.000 . . . . . A 64 TRP N . 25761 1 680 . 1 1 64 64 TRP NE1 N 15 129.540 0.000 . . . . . A 64 TRP NE1 . 25761 1 681 . 1 1 65 65 MET H H 1 9.282 0.000 . . . . . A 65 MET H . 25761 1 682 . 1 1 65 65 MET HA H 1 5.156 0.000 . . . . . A 65 MET HA . 25761 1 683 . 1 1 65 65 MET HB2 H 1 2.134 0.000 . . . . . A 65 MET HB2 . 25761 1 684 . 1 1 65 65 MET HB3 H 1 2.048 0.000 . . . . . A 65 MET HB3 . 25761 1 685 . 1 1 65 65 MET HG2 H 1 2.175 0.000 . . . . . A 65 MET HG2 . 25761 1 686 . 1 1 65 65 MET HG3 H 1 2.325 0.000 . . . . . A 65 MET HG3 . 25761 1 687 . 1 1 65 65 MET HE1 H 1 1.868 0.000 . . . . . A 65 MET QE . 25761 1 688 . 1 1 65 65 MET HE2 H 1 1.868 0.000 . . . . . A 65 MET QE . 25761 1 689 . 1 1 65 65 MET HE3 H 1 1.868 0.000 . . . . . A 65 MET QE . 25761 1 690 . 1 1 65 65 MET CA C 13 50.438 0.000 . . . . . A 65 MET CA . 25761 1 691 . 1 1 65 65 MET CB C 13 32.296 0.000 . . . . . A 65 MET CB . 25761 1 692 . 1 1 65 65 MET CG C 13 28.514 0.000 . . . . . A 65 MET CG . 25761 1 693 . 1 1 65 65 MET CE C 13 15.025 0.000 . . . . . A 65 MET CE . 25761 1 694 . 1 1 65 65 MET N N 15 118.324 0.000 . . . . . A 65 MET N . 25761 1 695 . 1 1 66 66 GLN H H 1 8.785 0.000 . . . . . A 66 GLN H . 25761 1 696 . 1 1 66 66 GLN HA H 1 5.514 0.000 . . . . . A 66 GLN HA . 25761 1 697 . 1 1 66 66 GLN HB2 H 1 1.739 0.000 . . . . . A 66 GLN HB2 . 25761 1 698 . 1 1 66 66 GLN HB3 H 1 2.024 0.000 . . . . . A 66 GLN HB3 . 25761 1 699 . 1 1 66 66 GLN HG2 H 1 1.684 0.000 . . . . . A 66 GLN HG2 . 25761 1 700 . 1 1 66 66 GLN HG3 H 1 2.111 0.000 . . . . . A 66 GLN HG3 . 25761 1 701 . 1 1 66 66 GLN HE21 H 1 7.749 0.000 . . . . . A 66 GLN HE21 . 25761 1 702 . 1 1 66 66 GLN HE22 H 1 6.767 0.000 . . . . . A 66 GLN HE22 . 25761 1 703 . 1 1 66 66 GLN CA C 13 49.965 0.000 . . . . . A 66 GLN CA . 25761 1 704 . 1 1 66 66 GLN CB C 13 28.500 0.000 . . . . . A 66 GLN CB . 25761 1 705 . 1 1 66 66 GLN CG C 13 32.412 0.000 . . . . . A 66 GLN CG . 25761 1 706 . 1 1 66 66 GLN N N 15 119.469 0.000 . . . . . A 66 GLN N . 25761 1 707 . 1 1 66 66 GLN NE2 N 15 112.308 0.000 . . . . . A 66 GLN NE2 . 25761 1 708 . 1 1 67 67 PRO HA H 1 4.121 0.000 . . . . . A 67 PRO HA . 25761 1 709 . 1 1 67 67 PRO HB2 H 1 2.009 0.000 . . . . . A 67 PRO HB2 . 25761 1 710 . 1 1 67 67 PRO HB3 H 1 1.544 0.000 . . . . . A 67 PRO HB3 . 25761 1 711 . 1 1 67 67 PRO HG2 H 1 1.578 0.000 . . . . . A 67 PRO HG2 . 25761 1 712 . 1 1 67 67 PRO HG3 H 1 1.141 0.000 . . . . . A 67 PRO HG3 . 25761 1 713 . 1 1 67 67 PRO HD2 H 1 3.924 0.000 . . . . . A 67 PRO HD2 . 25761 1 714 . 1 1 67 67 PRO HD3 H 1 3.739 0.000 . . . . . A 67 PRO HD3 . 25761 1 715 . 1 1 67 67 PRO CA C 13 60.866 0.000 . . . . . A 67 PRO CA . 25761 1 716 . 1 1 67 67 PRO CB C 13 30.037 0.000 . . . . . A 67 PRO CB . 25761 1 717 . 1 1 67 67 PRO CG C 13 24.348 0.000 . . . . . A 67 PRO CG . 25761 1 718 . 1 1 67 67 PRO CD C 13 48.044 0.000 . . . . . A 67 PRO CD . 25761 1 719 . 1 1 68 68 VAL H H 1 8.464 0.000 . . . . . A 68 VAL H . 25761 1 720 . 1 1 68 68 VAL HA H 1 3.959 0.000 . . . . . A 68 VAL HA . 25761 1 721 . 1 1 68 68 VAL HB H 1 1.719 0.000 . . . . . A 68 VAL HB . 25761 1 722 . 1 1 68 68 VAL HG11 H 1 0.636 0.000 . . . . . A 68 VAL QG1 . 25761 1 723 . 1 1 68 68 VAL HG12 H 1 0.636 0.000 . . . . . A 68 VAL QG1 . 25761 1 724 . 1 1 68 68 VAL HG13 H 1 0.636 0.000 . . . . . A 68 VAL QG1 . 25761 1 725 . 1 1 68 68 VAL HG21 H 1 0.401 0.000 . . . . . A 68 VAL QG2 . 25761 1 726 . 1 1 68 68 VAL HG22 H 1 0.401 0.000 . . . . . A 68 VAL QG2 . 25761 1 727 . 1 1 68 68 VAL HG23 H 1 0.401 0.000 . . . . . A 68 VAL QG2 . 25761 1 728 . 1 1 68 68 VAL CA C 13 57.834 0.000 . . . . . A 68 VAL CA . 25761 1 729 . 1 1 68 68 VAL CB C 13 31.032 0.000 . . . . . A 68 VAL CB . 25761 1 730 . 1 1 68 68 VAL CG1 C 13 19.293 0.000 . . . . . A 68 VAL CG1 . 25761 1 731 . 1 1 68 68 VAL CG2 C 13 18.839 0.000 . . . . . A 68 VAL CG2 . 25761 1 732 . 1 1 68 68 VAL N N 15 119.433 0.000 . . . . . A 68 VAL N . 25761 1 733 . 1 1 69 69 ARG H H 1 8.519 0.000 . . . . . A 69 ARG H . 25761 1 734 . 1 1 69 69 ARG HA H 1 4.336 0.000 . . . . . A 69 ARG HA . 25761 1 735 . 1 1 69 69 ARG HB2 H 1 1.784 0.000 . . . . . A 69 ARG HB2 . 25761 1 736 . 1 1 69 69 ARG HB3 H 1 1.602 0.000 . . . . . A 69 ARG HB3 . 25761 1 737 . 1 1 69 69 ARG HG2 H 1 1.518 0.000 . . . . . A 69 ARG HG2 . 25761 1 738 . 1 1 69 69 ARG HG3 H 1 1.500 0.000 . . . . . A 69 ARG HG3 . 25761 1 739 . 1 1 69 69 ARG HD2 H 1 3.070 0.000 . . . . . A 69 ARG QD . 25761 1 740 . 1 1 69 69 ARG HD3 H 1 3.070 0.000 . . . . . A 69 ARG QD . 25761 1 741 . 1 1 69 69 ARG CA C 13 51.812 0.000 . . . . . A 69 ARG CA . 25761 1 742 . 1 1 69 69 ARG CB C 13 25.923 0.000 . . . . . A 69 ARG CB . 25761 1 743 . 1 1 69 69 ARG CG C 13 24.540 0.000 . . . . . A 69 ARG CG . 25761 1 744 . 1 1 69 69 ARG CD C 13 40.810 0.000 . . . . . A 69 ARG CD . 25761 1 745 . 1 1 69 69 ARG N N 15 127.119 0.000 . . . . . A 69 ARG N . 25761 1 746 . 1 1 70 70 SER H H 1 7.955 0.000 . . . . . A 70 SER H . 25761 1 747 . 1 1 70 70 SER HA H 1 4.598 0.000 . . . . . A 70 SER HA . 25761 1 748 . 1 1 70 70 SER HB2 H 1 3.296 0.000 . . . . . A 70 SER HB2 . 25761 1 749 . 1 1 70 70 SER HB3 H 1 3.921 0.000 . . . . . A 70 SER HB3 . 25761 1 750 . 1 1 70 70 SER CA C 13 54.127 0.000 . . . . . A 70 SER CA . 25761 1 751 . 1 1 70 70 SER CB C 13 62.189 0.000 . . . . . A 70 SER CB . 25761 1 752 . 1 1 70 70 SER N N 15 115.574 0.000 . . . . . A 70 SER N . 25761 1 753 . 1 1 71 71 THR H H 1 8.285 0.000 . . . . . A 71 THR H . 25761 1 754 . 1 1 71 71 THR HA H 1 5.244 0.000 . . . . . A 71 THR HA . 25761 1 755 . 1 1 71 71 THR HB H 1 4.667 0.000 . . . . . A 71 THR HB . 25761 1 756 . 1 1 71 71 THR HG21 H 1 1.162 0.000 . . . . . A 71 THR QG2 . 25761 1 757 . 1 1 71 71 THR HG22 H 1 1.162 0.000 . . . . . A 71 THR QG2 . 25761 1 758 . 1 1 71 71 THR HG23 H 1 1.162 0.000 . . . . . A 71 THR QG2 . 25761 1 759 . 1 1 71 71 THR CA C 13 58.147 0.000 . . . . . A 71 THR CA . 25761 1 760 . 1 1 71 71 THR CB C 13 66.895 0.000 . . . . . A 71 THR CB . 25761 1 761 . 1 1 71 71 THR CG2 C 13 18.727 0.000 . . . . . A 71 THR CG2 . 25761 1 762 . 1 1 71 71 THR N N 15 114.592 0.000 . . . . . A 71 THR N . 25761 1 763 . 1 1 72 72 PHE H H 1 8.649 0.000 . . . . . A 72 PHE H . 25761 1 764 . 1 1 72 72 PHE HA H 1 4.941 0.000 . . . . . A 72 PHE HA . 25761 1 765 . 1 1 72 72 PHE HB2 H 1 3.099 0.000 . . . . . A 72 PHE HB2 . 25761 1 766 . 1 1 72 72 PHE HB3 H 1 2.973 0.000 . . . . . A 72 PHE HB3 . 25761 1 767 . 1 1 72 72 PHE HD1 H 1 7.343 0.000 . . . . . A 72 PHE QD . 25761 1 768 . 1 1 72 72 PHE HD2 H 1 7.343 0.000 . . . . . A 72 PHE QD . 25761 1 769 . 1 1 72 72 PHE CA C 13 53.135 0.000 . . . . . A 72 PHE CA . 25761 1 770 . 1 1 72 72 PHE CB C 13 36.931 0.000 . . . . . A 72 PHE CB . 25761 1 771 . 1 1 72 72 PHE CD1 C 13 134.900 0.000 . . . . . A 72 PHE CD1 . 25761 1 772 . 1 1 72 72 PHE CD2 C 13 134.952 0.000 . . . . . A 72 PHE CD2 . 25761 1 773 . 1 1 72 72 PHE CE2 C 13 133.299 0.000 . . . . . A 72 PHE CE2 . 25761 1 774 . 1 1 72 72 PHE N N 15 125.101 0.000 . . . . . A 72 PHE N . 25761 1 775 . 1 1 73 73 GLU H H 1 9.018 0.000 . . . . . A 73 GLU H . 25761 1 776 . 1 1 73 73 GLU HA H 1 3.551 0.000 . . . . . A 73 GLU HA . 25761 1 777 . 1 1 73 73 GLU HB2 H 1 1.735 0.000 . . . . . A 73 GLU QB . 25761 1 778 . 1 1 73 73 GLU HB3 H 1 1.735 0.000 . . . . . A 73 GLU QB . 25761 1 779 . 1 1 73 73 GLU HG2 H 1 2.082 0.000 . . . . . A 73 GLU QG . 25761 1 780 . 1 1 73 73 GLU HG3 H 1 2.082 0.000 . . . . . A 73 GLU QG . 25761 1 781 . 1 1 73 73 GLU CA C 13 59.415 0.000 . . . . . A 73 GLU CA . 25761 1 782 . 1 1 73 73 GLU CB C 13 33.892 0.000 . . . . . A 73 GLU CB . 25761 1 783 . 1 1 73 73 GLU CG C 13 33.904 0.000 . . . . . A 73 GLU CG . 25761 1 784 . 1 1 73 73 GLU N N 15 129.014 0.000 . . . . . A 73 GLU N . 25761 1 785 . 1 1 74 74 PRO HD2 H 1 3.049 0.000 . . . . . A 74 PRO HD2 . 25761 1 786 . 1 1 74 74 PRO HD3 H 1 1.192 0.000 . . . . . A 74 PRO HD3 . 25761 1 787 . 1 1 74 74 PRO CB C 13 29.097 0.000 . . . . . A 74 PRO CB . 25761 1 788 . 1 1 74 74 PRO CG C 13 25.102 0.000 . . . . . A 74 PRO CG . 25761 1 789 . 1 1 74 74 PRO CD C 13 46.563 0.000 . . . . . A 74 PRO CD . 25761 1 790 . 1 1 75 75 ASP H H 1 7.493 0.000 . . . . . A 75 ASP H . 25761 1 791 . 1 1 75 75 ASP HA H 1 4.450 0.000 . . . . . A 75 ASP HA . 25761 1 792 . 1 1 75 75 ASP HB2 H 1 3.034 0.000 . . . . . A 75 ASP HB2 . 25761 1 793 . 1 1 75 75 ASP HB3 H 1 2.589 0.000 . . . . . A 75 ASP HB3 . 25761 1 794 . 1 1 75 75 ASP CA C 13 54.550 0.000 . . . . . A 75 ASP CA . 25761 1 795 . 1 1 75 75 ASP CB C 13 37.741 0.000 . . . . . A 75 ASP CB . 25761 1 796 . 1 1 75 75 ASP N N 15 116.246 0.000 . . . . . A 75 ASP N . 25761 1 797 . 1 1 76 76 LEU H H 1 7.651 0.000 . . . . . A 76 LEU H . 25761 1 798 . 1 1 76 76 LEU HA H 1 3.986 0.000 . . . . . A 76 LEU HA . 25761 1 799 . 1 1 76 76 LEU HB2 H 1 1.848 0.000 . . . . . A 76 LEU HB2 . 25761 1 800 . 1 1 76 76 LEU HB3 H 1 1.320 0.000 . . . . . A 76 LEU HB3 . 25761 1 801 . 1 1 76 76 LEU HG H 1 1.641 0.000 . . . . . A 76 LEU HG . 25761 1 802 . 1 1 76 76 LEU HD11 H 1 0.589 0.000 . . . . . A 76 LEU QD1 . 25761 1 803 . 1 1 76 76 LEU HD12 H 1 0.589 0.000 . . . . . A 76 LEU QD1 . 25761 1 804 . 1 1 76 76 LEU HD13 H 1 0.589 0.000 . . . . . A 76 LEU QD1 . 25761 1 805 . 1 1 76 76 LEU HD21 H 1 0.643 0.000 . . . . . A 76 LEU QD2 . 25761 1 806 . 1 1 76 76 LEU HD22 H 1 0.643 0.000 . . . . . A 76 LEU QD2 . 25761 1 807 . 1 1 76 76 LEU HD23 H 1 0.643 0.000 . . . . . A 76 LEU QD2 . 25761 1 808 . 1 1 76 76 LEU CA C 13 54.244 0.000 . . . . . A 76 LEU CA . 25761 1 809 . 1 1 76 76 LEU CB C 13 37.239 0.000 . . . . . A 76 LEU CB . 25761 1 810 . 1 1 76 76 LEU CG C 13 23.955 0.000 . . . . . A 76 LEU CG . 25761 1 811 . 1 1 76 76 LEU CD1 C 13 22.898 0.000 . . . . . A 76 LEU CD1 . 25761 1 812 . 1 1 76 76 LEU CD2 C 13 18.857 0.000 . . . . . A 76 LEU CD2 . 25761 1 813 . 1 1 76 76 LEU N N 15 121.503 0.000 . . . . . A 76 LEU N . 25761 1 814 . 1 1 77 77 ASP H H 1 8.117 0.000 . . . . . A 77 ASP H . 25761 1 815 . 1 1 77 77 ASP HA H 1 4.291 0.000 . . . . . A 77 ASP HA . 25761 1 816 . 1 1 77 77 ASP HB2 H 1 2.602 0.000 . . . . . A 77 ASP HB2 . 25761 1 817 . 1 1 77 77 ASP HB3 H 1 2.385 0.000 . . . . . A 77 ASP HB3 . 25761 1 818 . 1 1 77 77 ASP CA C 13 54.695 0.000 . . . . . A 77 ASP CA . 25761 1 819 . 1 1 77 77 ASP CB C 13 37.194 0.000 . . . . . A 77 ASP CB . 25761 1 820 . 1 1 77 77 ASP N N 15 120.554 0.000 . . . . . A 77 ASP N . 25761 1 821 . 1 1 78 78 ALA H H 1 7.904 0.000 . . . . . A 78 ALA H . 25761 1 822 . 1 1 78 78 ALA HA H 1 4.143 0.000 . . . . . A 78 ALA HA . 25761 1 823 . 1 1 78 78 ALA HB1 H 1 1.471 0.000 . . . . . A 78 ALA QB . 25761 1 824 . 1 1 78 78 ALA HB2 H 1 1.471 0.000 . . . . . A 78 ALA QB . 25761 1 825 . 1 1 78 78 ALA HB3 H 1 1.471 0.000 . . . . . A 78 ALA QB . 25761 1 826 . 1 1 78 78 ALA CA C 13 52.370 0.000 . . . . . A 78 ALA CA . 25761 1 827 . 1 1 78 78 ALA CB C 13 15.399 0.000 . . . . . A 78 ALA CB . 25761 1 828 . 1 1 78 78 ALA N N 15 121.953 0.000 . . . . . A 78 ALA N . 25761 1 829 . 1 1 79 79 TYR H H 1 7.422 0.000 . . . . . A 79 TYR H . 25761 1 830 . 1 1 79 79 TYR HA H 1 3.889 0.000 . . . . . A 79 TYR HA . 25761 1 831 . 1 1 79 79 TYR HB2 H 1 2.972 0.000 . . . . . A 79 TYR HB2 . 25761 1 832 . 1 1 79 79 TYR HB3 H 1 3.160 0.000 . . . . . A 79 TYR HB3 . 25761 1 833 . 1 1 79 79 TYR HD1 H 1 6.824 0.000 . . . . . A 79 TYR QD . 25761 1 834 . 1 1 79 79 TYR HD2 H 1 6.824 0.000 . . . . . A 79 TYR QD . 25761 1 835 . 1 1 79 79 TYR HE1 H 1 6.630 0.000 . . . . . A 79 TYR QE . 25761 1 836 . 1 1 79 79 TYR HE2 H 1 6.630 0.000 . . . . . A 79 TYR QE . 25761 1 837 . 1 1 79 79 TYR CA C 13 59.385 0.000 . . . . . A 79 TYR CA . 25761 1 838 . 1 1 79 79 TYR CB C 13 35.811 0.000 . . . . . A 79 TYR CB . 25761 1 839 . 1 1 79 79 TYR CD1 C 13 136.675 0.000 . . . . . A 79 TYR CD1 . 25761 1 840 . 1 1 79 79 TYR CD2 C 13 136.675 0.000 . . . . . A 79 TYR CD2 . 25761 1 841 . 1 1 79 79 TYR CE1 C 13 120.424 0.000 . . . . . A 79 TYR CE1 . 25761 1 842 . 1 1 79 79 TYR N N 15 119.746 0.000 . . . . . A 79 TYR N . 25761 1 843 . 1 1 80 80 ALA H H 1 8.376 0.000 . . . . . A 80 ALA H . 25761 1 844 . 1 1 80 80 ALA HA H 1 3.770 0.000 . . . . . A 80 ALA HA . 25761 1 845 . 1 1 80 80 ALA HB1 H 1 1.432 0.000 . . . . . A 80 ALA QB . 25761 1 846 . 1 1 80 80 ALA HB2 H 1 1.432 0.000 . . . . . A 80 ALA QB . 25761 1 847 . 1 1 80 80 ALA HB3 H 1 1.432 0.000 . . . . . A 80 ALA QB . 25761 1 848 . 1 1 80 80 ALA CA C 13 52.530 0.000 . . . . . A 80 ALA CA . 25761 1 849 . 1 1 80 80 ALA CB C 13 15.378 0.000 . . . . . A 80 ALA CB . 25761 1 850 . 1 1 80 80 ALA N N 15 122.107 0.000 . . . . . A 80 ALA N . 25761 1 851 . 1 1 81 81 GLU H H 1 8.149 0.000 . . . . . A 81 GLU H . 25761 1 852 . 1 1 81 81 GLU HA H 1 3.844 0.000 . . . . . A 81 GLU HA . 25761 1 853 . 1 1 81 81 GLU HB2 H 1 2.002 0.000 . . . . . A 81 GLU QB . 25761 1 854 . 1 1 81 81 GLU HB3 H 1 2.002 0.000 . . . . . A 81 GLU QB . 25761 1 855 . 1 1 81 81 GLU HG2 H 1 2.289 0.000 . . . . . A 81 GLU HG2 . 25761 1 856 . 1 1 81 81 GLU HG3 H 1 2.106 0.000 . . . . . A 81 GLU HG3 . 25761 1 857 . 1 1 81 81 GLU CA C 13 56.713 0.000 . . . . . A 81 GLU CA . 25761 1 858 . 1 1 81 81 GLU CB C 13 26.879 0.000 . . . . . A 81 GLU CB . 25761 1 859 . 1 1 81 81 GLU CG C 13 33.789 0.000 . . . . . A 81 GLU CG . 25761 1 860 . 1 1 81 81 GLU N N 15 118.620 0.000 . . . . . A 81 GLU N . 25761 1 861 . 1 1 82 82 ARG H H 1 7.535 0.000 . . . . . A 82 ARG H . 25761 1 862 . 1 1 82 82 ARG HA H 1 3.748 0.000 . . . . . A 82 ARG HA . 25761 1 863 . 1 1 82 82 ARG HB2 H 1 1.625 0.000 . . . . . A 82 ARG HB2 . 25761 1 864 . 1 1 82 82 ARG HB3 H 1 1.363 0.000 . . . . . A 82 ARG HB3 . 25761 1 865 . 1 1 82 82 ARG HG2 H 1 1.700 0.000 . . . . . A 82 ARG QG . 25761 1 866 . 1 1 82 82 ARG HG3 H 1 1.700 0.000 . . . . . A 82 ARG QG . 25761 1 867 . 1 1 82 82 ARG HD2 H 1 3.032 0.000 . . . . . A 82 ARG HD2 . 25761 1 868 . 1 1 82 82 ARG HD3 H 1 3.075 0.000 . . . . . A 82 ARG HD3 . 25761 1 869 . 1 1 82 82 ARG CA C 13 56.787 0.000 . . . . . A 82 ARG CA . 25761 1 870 . 1 1 82 82 ARG CB C 13 25.153 0.000 . . . . . A 82 ARG CB . 25761 1 871 . 1 1 82 82 ARG CG C 13 27.224 0.000 . . . . . A 82 ARG CG . 25761 1 872 . 1 1 82 82 ARG CD C 13 41.130 0.000 . . . . . A 82 ARG CD . 25761 1 873 . 1 1 82 82 ARG N N 15 120.032 0.000 . . . . . A 82 ARG N . 25761 1 874 . 1 1 83 83 ALA H H 1 8.467 0.000 . . . . . A 83 ALA H . 25761 1 875 . 1 1 83 83 ALA HA H 1 3.708 0.000 . . . . . A 83 ALA HA . 25761 1 876 . 1 1 83 83 ALA HB1 H 1 1.182 0.000 . . . . . A 83 ALA QB . 25761 1 877 . 1 1 83 83 ALA HB2 H 1 1.182 0.000 . . . . . A 83 ALA QB . 25761 1 878 . 1 1 83 83 ALA HB3 H 1 1.182 0.000 . . . . . A 83 ALA QB . 25761 1 879 . 1 1 83 83 ALA CA C 13 52.325 0.000 . . . . . A 83 ALA CA . 25761 1 880 . 1 1 83 83 ALA CB C 13 15.669 0.000 . . . . . A 83 ALA CB . 25761 1 881 . 1 1 83 83 ALA N N 15 122.089 0.000 . . . . . A 83 ALA N . 25761 1 882 . 1 1 84 84 ALA H H 1 7.517 0.000 . . . . . A 84 ALA H . 25761 1 883 . 1 1 84 84 ALA HA H 1 4.242 0.000 . . . . . A 84 ALA HA . 25761 1 884 . 1 1 84 84 ALA HB1 H 1 1.127 0.000 . . . . . A 84 ALA QB . 25761 1 885 . 1 1 84 84 ALA HB2 H 1 1.127 0.000 . . . . . A 84 ALA QB . 25761 1 886 . 1 1 84 84 ALA HB3 H 1 1.127 0.000 . . . . . A 84 ALA QB . 25761 1 887 . 1 1 84 84 ALA CA C 13 49.989 0.000 . . . . . A 84 ALA CA . 25761 1 888 . 1 1 84 84 ALA CB C 13 15.181 0.000 . . . . . A 84 ALA CB . 25761 1 889 . 1 1 84 84 ALA N N 15 118.529 0.000 . . . . . A 84 ALA N . 25761 1 890 . 1 1 85 85 ARG H H 1 7.278 0.000 . . . . . A 85 ARG H . 25761 1 891 . 1 1 85 85 ARG HA H 1 3.987 0.000 . . . . . A 85 ARG HA . 25761 1 892 . 1 1 85 85 ARG HB2 H 1 1.863 0.000 . . . . . A 85 ARG HB2 . 25761 1 893 . 1 1 85 85 ARG HB3 H 1 1.792 0.000 . . . . . A 85 ARG HB3 . 25761 1 894 . 1 1 85 85 ARG HG3 H 1 1.502 0.000 . . . . . A 85 ARG HG3 . 25761 1 895 . 1 1 85 85 ARG HD2 H 1 3.080 0.000 . . . . . A 85 ARG HD2 . 25761 1 896 . 1 1 85 85 ARG HD3 H 1 3.137 0.000 . . . . . A 85 ARG HD3 . 25761 1 897 . 1 1 85 85 ARG CA C 13 55.691 0.000 . . . . . A 85 ARG CA . 25761 1 898 . 1 1 85 85 ARG CB C 13 27.586 0.000 . . . . . A 85 ARG CB . 25761 1 899 . 1 1 85 85 ARG CG C 13 25.513 0.000 . . . . . A 85 ARG CG . 25761 1 900 . 1 1 85 85 ARG CD C 13 40.855 0.000 . . . . . A 85 ARG CD . 25761 1 901 . 1 1 85 85 ARG N N 15 117.478 0.000 . . . . . A 85 ARG N . 25761 1 902 . 1 1 86 86 ILE H H 1 7.286 0.000 . . . . . A 86 ILE H . 25761 1 903 . 1 1 86 86 ILE HA H 1 3.747 0.000 . . . . . A 86 ILE HA . 25761 1 904 . 1 1 86 86 ILE HB H 1 1.688 0.000 . . . . . A 86 ILE HB . 25761 1 905 . 1 1 86 86 ILE HG12 H 1 1.055 0.000 . . . . . A 86 ILE QG1 . 25761 1 906 . 1 1 86 86 ILE HG13 H 1 1.055 0.000 . . . . . A 86 ILE QG1 . 25761 1 907 . 1 1 86 86 ILE HG21 H 1 0.815 0.000 . . . . . A 86 ILE QG2 . 25761 1 908 . 1 1 86 86 ILE HG22 H 1 0.815 0.000 . . . . . A 86 ILE QG2 . 25761 1 909 . 1 1 86 86 ILE HG23 H 1 0.815 0.000 . . . . . A 86 ILE QG2 . 25761 1 910 . 1 1 86 86 ILE HD11 H 1 0.683 0.000 . . . . . A 86 ILE QD1 . 25761 1 911 . 1 1 86 86 ILE HD12 H 1 0.683 0.000 . . . . . A 86 ILE QD1 . 25761 1 912 . 1 1 86 86 ILE HD13 H 1 0.683 0.000 . . . . . A 86 ILE QD1 . 25761 1 913 . 1 1 86 86 ILE CA C 13 60.531 0.000 . . . . . A 86 ILE CA . 25761 1 914 . 1 1 86 86 ILE CB C 13 36.213 0.000 . . . . . A 86 ILE CB . 25761 1 915 . 1 1 86 86 ILE CG1 C 13 26.046 0.000 . . . . . A 86 ILE CG1 . 25761 1 916 . 1 1 86 86 ILE CG2 C 13 14.827 0.000 . . . . . A 86 ILE CG2 . 25761 1 917 . 1 1 86 86 ILE CD1 C 13 10.534 0.000 . . . . . A 86 ILE CD1 . 25761 1 918 . 1 1 86 86 ILE N N 15 118.079 0.000 . . . . . A 86 ILE N . 25761 1 919 . 1 1 87 87 ASP H H 1 7.973 0.000 . . . . . A 87 ASP H . 25761 1 920 . 1 1 87 87 ASP HA H 1 4.980 0.000 . . . . . A 87 ASP HA . 25761 1 921 . 1 1 87 87 ASP HB2 H 1 2.283 0.000 . . . . . A 87 ASP HB2 . 25761 1 922 . 1 1 87 87 ASP HB3 H 1 2.899 0.000 . . . . . A 87 ASP HB3 . 25761 1 923 . 1 1 87 87 ASP CA C 13 47.642 0.000 . . . . . A 87 ASP CA . 25761 1 924 . 1 1 87 87 ASP CB C 13 39.176 0.000 . . . . . A 87 ASP CB . 25761 1 925 . 1 1 87 87 ASP N N 15 117.833 0.000 . . . . . A 87 ASP N . 25761 1 926 . 1 1 88 88 PRO HA H 1 4.641 0.000 . . . . . A 88 PRO HA . 25761 1 927 . 1 1 88 88 PRO HB2 H 1 2.290 0.000 . . . . . A 88 PRO QB . 25761 1 928 . 1 1 88 88 PRO HB3 H 1 2.290 0.000 . . . . . A 88 PRO QB . 25761 1 929 . 1 1 88 88 PRO HG2 H 1 1.861 0.000 . . . . . A 88 PRO QG . 25761 1 930 . 1 1 88 88 PRO HG3 H 1 1.861 0.000 . . . . . A 88 PRO QG . 25761 1 931 . 1 1 88 88 PRO HD2 H 1 3.736 0.000 . . . . . A 88 PRO HD2 . 25761 1 932 . 1 1 88 88 PRO HD3 H 1 3.383 0.000 . . . . . A 88 PRO HD3 . 25761 1 933 . 1 1 88 88 PRO CA C 13 60.549 0.000 . . . . . A 88 PRO CA . 25761 1 934 . 1 1 88 88 PRO CB C 13 29.559 0.000 . . . . . A 88 PRO CB . 25761 1 935 . 1 1 88 88 PRO CG C 13 24.458 0.000 . . . . . A 88 PRO CG . 25761 1 936 . 1 1 88 88 PRO CD C 13 47.801 0.000 . . . . . A 88 PRO CD . 25761 1 937 . 1 1 89 89 ASP H H 1 7.960 0.000 . . . . . A 89 ASP H . 25761 1 938 . 1 1 89 89 ASP HA H 1 4.686 0.000 . . . . . A 89 ASP HA . 25761 1 939 . 1 1 89 89 ASP HB2 H 1 3.040 0.000 . . . . . A 89 ASP HB2 . 25761 1 940 . 1 1 89 89 ASP HB3 H 1 2.807 0.000 . . . . . A 89 ASP HB3 . 25761 1 941 . 1 1 89 89 ASP CB C 13 39.373 0.000 . . . . . A 89 ASP CB . 25761 1 942 . 1 1 89 89 ASP N N 15 120.189 0.000 . . . . . A 89 ASP N . 25761 1 943 . 1 1 90 90 ILE H H 1 7.234 0.000 . . . . . A 90 ILE H . 25761 1 944 . 1 1 90 90 ILE HA H 1 4.555 0.000 . . . . . A 90 ILE HA . 25761 1 945 . 1 1 90 90 ILE HB H 1 1.814 0.000 . . . . . A 90 ILE HB . 25761 1 946 . 1 1 90 90 ILE HG12 H 1 1.354 0.000 . . . . . A 90 ILE QG1 . 25761 1 947 . 1 1 90 90 ILE HG13 H 1 1.354 0.000 . . . . . A 90 ILE QG1 . 25761 1 948 . 1 1 90 90 ILE HG21 H 1 0.799 0.000 . . . . . A 90 ILE QG2 . 25761 1 949 . 1 1 90 90 ILE HG22 H 1 0.799 0.000 . . . . . A 90 ILE QG2 . 25761 1 950 . 1 1 90 90 ILE HG23 H 1 0.799 0.000 . . . . . A 90 ILE QG2 . 25761 1 951 . 1 1 90 90 ILE HD11 H 1 0.780 0.000 . . . . . A 90 ILE QD1 . 25761 1 952 . 1 1 90 90 ILE HD12 H 1 0.780 0.000 . . . . . A 90 ILE QD1 . 25761 1 953 . 1 1 90 90 ILE HD13 H 1 0.780 0.000 . . . . . A 90 ILE QD1 . 25761 1 954 . 1 1 90 90 ILE CA C 13 60.022 0.000 . . . . . A 90 ILE CA . 25761 1 955 . 1 1 90 90 ILE CB C 13 38.198 0.000 . . . . . A 90 ILE CB . 25761 1 956 . 1 1 90 90 ILE CG1 C 13 26.038 0.000 . . . . . A 90 ILE CG1 . 25761 1 957 . 1 1 90 90 ILE CG2 C 13 15.093 0.000 . . . . . A 90 ILE CG2 . 25761 1 958 . 1 1 90 90 ILE CD1 C 13 12.892 0.000 . . . . . A 90 ILE CD1 . 25761 1 959 . 1 1 90 90 ILE N N 15 120.372 0.000 . . . . . A 90 ILE N . 25761 1 960 . 1 1 91 91 TRP H H 1 9.295 0.000 . . . . . A 91 TRP H . 25761 1 961 . 1 1 91 91 TRP HA H 1 4.889 0.000 . . . . . A 91 TRP HA . 25761 1 962 . 1 1 91 91 TRP HB2 H 1 3.268 0.000 . . . . . A 91 TRP HB2 . 25761 1 963 . 1 1 91 91 TRP HB3 H 1 3.210 0.000 . . . . . A 91 TRP HB3 . 25761 1 964 . 1 1 91 91 TRP HD1 H 1 7.453 0.000 . . . . . A 91 TRP HD1 . 25761 1 965 . 1 1 91 91 TRP HE1 H 1 9.979 0.000 . . . . . A 91 TRP HE1 . 25761 1 966 . 1 1 91 91 TRP HE3 H 1 7.561 0.000 . . . . . A 91 TRP HE3 . 25761 1 967 . 1 1 91 91 TRP HZ2 H 1 7.042 0.000 . . . . . A 91 TRP HZ2 . 25761 1 968 . 1 1 91 91 TRP HZ3 H 1 7.230 0.000 . . . . . A 91 TRP HZ3 . 25761 1 969 . 1 1 91 91 TRP CA C 13 52.667 0.000 . . . . . A 91 TRP CA . 25761 1 970 . 1 1 91 91 TRP CB C 13 28.630 0.000 . . . . . A 91 TRP CB . 25761 1 971 . 1 1 91 91 TRP CD1 C 13 129.998 0.000 . . . . . A 91 TRP CD1 . 25761 1 972 . 1 1 91 91 TRP CE3 C 13 123.803 0.000 . . . . . A 91 TRP CE3 . 25761 1 973 . 1 1 91 91 TRP CZ2 C 13 116.403 0.000 . . . . . A 91 TRP CZ2 . 25761 1 974 . 1 1 91 91 TRP CZ3 C 13 125.998 0.000 . . . . . A 91 TRP CZ3 . 25761 1 975 . 1 1 91 91 TRP N N 15 122.596 0.000 . . . . . A 91 TRP N . 25761 1 976 . 1 1 91 91 TRP NE1 N 15 130.984 0.000 . . . . . A 91 TRP NE1 . 25761 1 977 . 1 1 92 92 VAL H H 1 9.040 0.000 . . . . . A 92 VAL H . 25761 1 978 . 1 1 92 92 VAL HA H 1 5.148 0.000 . . . . . A 92 VAL HA . 25761 1 979 . 1 1 92 92 VAL HB H 1 1.846 0.000 . . . . . A 92 VAL HB . 25761 1 980 . 1 1 92 92 VAL HG11 H 1 0.884 0.000 . . . . . A 92 VAL QG1 . 25761 1 981 . 1 1 92 92 VAL HG12 H 1 0.884 0.000 . . . . . A 92 VAL QG1 . 25761 1 982 . 1 1 92 92 VAL HG13 H 1 0.884 0.000 . . . . . A 92 VAL QG1 . 25761 1 983 . 1 1 92 92 VAL HG21 H 1 0.805 0.000 . . . . . A 92 VAL QG2 . 25761 1 984 . 1 1 92 92 VAL HG22 H 1 0.805 0.000 . . . . . A 92 VAL QG2 . 25761 1 985 . 1 1 92 92 VAL HG23 H 1 0.805 0.000 . . . . . A 92 VAL QG2 . 25761 1 986 . 1 1 92 92 VAL CA C 13 59.397 0.000 . . . . . A 92 VAL CA . 25761 1 987 . 1 1 92 92 VAL CB C 13 31.825 0.000 . . . . . A 92 VAL CB . 25761 1 988 . 1 1 92 92 VAL CG1 C 13 18.274 0.000 . . . . . A 92 VAL CG1 . 25761 1 989 . 1 1 92 92 VAL CG2 C 13 17.817 0.000 . . . . . A 92 VAL CG2 . 25761 1 990 . 1 1 92 92 VAL N N 15 118.958 0.000 . . . . . A 92 VAL N . 25761 1 991 . 1 1 93 93 VAL H H 1 9.201 0.000 . . . . . A 93 VAL H . 25761 1 992 . 1 1 93 93 VAL HA H 1 4.769 0.000 . . . . . A 93 VAL HA . 25761 1 993 . 1 1 93 93 VAL HB H 1 1.985 0.000 . . . . . A 93 VAL HB . 25761 1 994 . 1 1 93 93 VAL HG21 H 1 1.100 0.000 . . . . . A 93 VAL QG2 . 25761 1 995 . 1 1 93 93 VAL HG22 H 1 1.100 0.000 . . . . . A 93 VAL QG2 . 25761 1 996 . 1 1 93 93 VAL HG23 H 1 1.100 0.000 . . . . . A 93 VAL QG2 . 25761 1 997 . 1 1 93 93 VAL CA C 13 57.315 0.000 . . . . . A 93 VAL CA . 25761 1 998 . 1 1 93 93 VAL CB C 13 32.548 0.000 . . . . . A 93 VAL CB . 25761 1 999 . 1 1 93 93 VAL CG2 C 13 19.970 0.000 . . . . . A 93 VAL CG2 . 25761 1 1000 . 1 1 93 93 VAL N N 15 129.129 0.000 . . . . . A 93 VAL N . 25761 1 1001 . 1 1 94 94 GLU H H 1 9.161 0.000 . . . . . A 94 GLU H . 25761 1 1002 . 1 1 94 94 GLU HA H 1 5.412 0.000 . . . . . A 94 GLU HA . 25761 1 1003 . 1 1 94 94 GLU HB2 H 1 1.948 0.000 . . . . . A 94 GLU HB2 . 25761 1 1004 . 1 1 94 94 GLU HB3 H 1 1.914 0.000 . . . . . A 94 GLU HB3 . 25761 1 1005 . 1 1 94 94 GLU HG2 H 1 2.107 0.000 . . . . . A 94 GLU HG2 . 25761 1 1006 . 1 1 94 94 GLU HG3 H 1 2.011 0.000 . . . . . A 94 GLU HG3 . 25761 1 1007 . 1 1 94 94 GLU CA C 13 51.764 0.000 . . . . . A 94 GLU CA . 25761 1 1008 . 1 1 94 94 GLU CB C 13 29.584 0.000 . . . . . A 94 GLU CB . 25761 1 1009 . 1 1 94 94 GLU CG C 13 33.973 0.000 . . . . . A 94 GLU CG . 25761 1 1010 . 1 1 94 94 GLU N N 15 126.192 0.000 . . . . . A 94 GLU N . 25761 1 1011 . 1 1 95 95 ILE H H 1 9.347 0.000 . . . . . A 95 ILE H . 25761 1 1012 . 1 1 95 95 ILE HA H 1 4.771 0.000 . . . . . A 95 ILE HA . 25761 1 1013 . 1 1 95 95 ILE HB H 1 1.814 0.000 . . . . . A 95 ILE HB . 25761 1 1014 . 1 1 95 95 ILE HG13 H 1 0.844 0.000 . . . . . A 95 ILE HG13 . 25761 1 1015 . 1 1 95 95 ILE HG21 H 1 0.705 0.000 . . . . . A 95 ILE QG2 . 25761 1 1016 . 1 1 95 95 ILE HG22 H 1 0.705 0.000 . . . . . A 95 ILE QG2 . 25761 1 1017 . 1 1 95 95 ILE HG23 H 1 0.705 0.000 . . . . . A 95 ILE QG2 . 25761 1 1018 . 1 1 95 95 ILE HD11 H 1 0.844 0.000 . . . . . A 95 ILE QD1 . 25761 1 1019 . 1 1 95 95 ILE HD12 H 1 0.844 0.000 . . . . . A 95 ILE QD1 . 25761 1 1020 . 1 1 95 95 ILE HD13 H 1 0.844 0.000 . . . . . A 95 ILE QD1 . 25761 1 1021 . 1 1 95 95 ILE CA C 13 57.319 0.000 . . . . . A 95 ILE CA . 25761 1 1022 . 1 1 95 95 ILE CB C 13 38.475 0.000 . . . . . A 95 ILE CB . 25761 1 1023 . 1 1 95 95 ILE CG1 C 13 25.129 0.000 . . . . . A 95 ILE CG1 . 25761 1 1024 . 1 1 95 95 ILE CG2 C 13 11.350 0.000 . . . . . A 95 ILE CG2 . 25761 1 1025 . 1 1 95 95 ILE CD1 C 13 18.345 0.000 . . . . . A 95 ILE CD1 . 25761 1 1026 . 1 1 95 95 ILE N N 15 125.285 0.000 . . . . . A 95 ILE N . 25761 1 1027 . 1 1 96 96 GLU H H 1 9.390 0.000 . . . . . A 96 GLU H . 25761 1 1028 . 1 1 96 96 GLU HA H 1 5.155 0.000 . . . . . A 96 GLU HA . 25761 1 1029 . 1 1 96 96 GLU HB2 H 1 2.084 0.000 . . . . . A 96 GLU QB . 25761 1 1030 . 1 1 96 96 GLU HB3 H 1 2.084 0.000 . . . . . A 96 GLU QB . 25761 1 1031 . 1 1 96 96 GLU HG2 H 1 2.069 0.000 . . . . . A 96 GLU HG2 . 25761 1 1032 . 1 1 96 96 GLU HG3 H 1 2.266 0.000 . . . . . A 96 GLU HG3 . 25761 1 1033 . 1 1 96 96 GLU CA C 13 52.551 0.000 . . . . . A 96 GLU CA . 25761 1 1034 . 1 1 96 96 GLU CB C 13 29.061 0.000 . . . . . A 96 GLU CB . 25761 1 1035 . 1 1 96 96 GLU CG C 13 33.671 0.000 . . . . . A 96 GLU CG . 25761 1 1036 . 1 1 96 96 GLU N N 15 128.539 0.000 . . . . . A 96 GLU N . 25761 1 1037 . 1 1 97 97 ASP H H 1 8.582 0.000 . . . . . A 97 ASP H . 25761 1 1038 . 1 1 97 97 ASP HA H 1 5.319 0.000 . . . . . A 97 ASP HA . 25761 1 1039 . 1 1 97 97 ASP HB2 H 1 2.724 0.000 . . . . . A 97 ASP QB . 25761 1 1040 . 1 1 97 97 ASP HB3 H 1 2.724 0.000 . . . . . A 97 ASP QB . 25761 1 1041 . 1 1 97 97 ASP CA C 13 50.769 0.000 . . . . . A 97 ASP CA . 25761 1 1042 . 1 1 97 97 ASP CB C 13 45.837 0.000 . . . . . A 97 ASP CB . 25761 1 1043 . 1 1 97 97 ASP N N 15 123.516 0.000 . . . . . A 97 ASP N . 25761 1 1044 . 1 1 98 98 ARG H H 1 8.914 0.000 . . . . . A 98 ARG H . 25761 1 1045 . 1 1 98 98 ARG HA H 1 4.071 0.000 . . . . . A 98 ARG HA . 25761 1 1046 . 1 1 98 98 ARG HB2 H 1 1.793 0.000 . . . . . A 98 ARG HB2 . 25761 1 1047 . 1 1 98 98 ARG HB3 H 1 1.823 0.000 . . . . . A 98 ARG HB3 . 25761 1 1048 . 1 1 98 98 ARG HG2 H 1 1.586 0.000 . . . . . A 98 ARG HG2 . 25761 1 1049 . 1 1 98 98 ARG HG3 H 1 1.629 0.000 . . . . . A 98 ARG HG3 . 25761 1 1050 . 1 1 98 98 ARG HD2 H 1 3.139 0.000 . . . . . A 98 ARG QD . 25761 1 1051 . 1 1 98 98 ARG HD3 H 1 3.139 0.000 . . . . . A 98 ARG QD . 25761 1 1052 . 1 1 98 98 ARG CA C 13 56.486 0.000 . . . . . A 98 ARG CA . 25761 1 1053 . 1 1 98 98 ARG CB C 13 27.570 0.000 . . . . . A 98 ARG CB . 25761 1 1054 . 1 1 98 98 ARG CG C 13 24.447 0.000 . . . . . A 98 ARG CG . 25761 1 1055 . 1 1 98 98 ARG CD C 13 40.896 0.000 . . . . . A 98 ARG CD . 25761 1 1056 . 1 1 98 98 ARG N N 15 127.597 0.000 . . . . . A 98 ARG N . 25761 1 1057 . 1 1 99 99 ASP H H 1 7.379 0.000 . . . . . A 99 ASP H . 25761 1 1058 . 1 1 99 99 ASP HA H 1 4.978 0.000 . . . . . A 99 ASP HA . 25761 1 1059 . 1 1 99 99 ASP HB2 H 1 2.849 0.000 . . . . . A 99 ASP HB2 . 25761 1 1060 . 1 1 99 99 ASP HB3 H 1 2.270 0.000 . . . . . A 99 ASP HB3 . 25761 1 1061 . 1 1 99 99 ASP CA C 13 51.008 0.000 . . . . . A 99 ASP CA . 25761 1 1062 . 1 1 99 99 ASP CB C 13 39.782 0.000 . . . . . A 99 ASP CB . 25761 1 1063 . 1 1 99 99 ASP N N 15 115.196 0.000 . . . . . A 99 ASP N . 25761 1 1064 . 1 1 100 100 GLY H H 1 7.481 0.000 . . . . . A 100 GLY H . 25761 1 1065 . 1 1 100 100 GLY HA2 H 1 3.787 0.000 . . . . . A 100 GLY QA . 25761 1 1066 . 1 1 100 100 GLY HA3 H 1 3.787 0.000 . . . . . A 100 GLY QA . 25761 1 1067 . 1 1 100 100 GLY CA C 13 44.633 0.000 . . . . . A 100 GLY CA . 25761 1 1068 . 1 1 100 100 GLY N N 15 106.976 0.000 . . . . . A 100 GLY N . 25761 1 1069 . 1 1 101 101 ARG H H 1 8.798 0.000 . . . . . A 101 ARG H . 25761 1 1070 . 1 1 101 101 ARG HA H 1 3.442 0.000 . . . . . A 101 ARG HA . 25761 1 1071 . 1 1 101 101 ARG HB2 H 1 0.297 0.000 . . . . . A 101 ARG HB2 . 25761 1 1072 . 1 1 101 101 ARG HB3 H 1 1.028 0.000 . . . . . A 101 ARG HB3 . 25761 1 1073 . 1 1 101 101 ARG HG2 H 1 1.095 0.000 . . . . . A 101 ARG HG2 . 25761 1 1074 . 1 1 101 101 ARG HG3 H 1 1.182 0.000 . . . . . A 101 ARG HG3 . 25761 1 1075 . 1 1 101 101 ARG HD2 H 1 2.357 0.000 . . . . . A 101 ARG HD2 . 25761 1 1076 . 1 1 101 101 ARG HD3 H 1 3.032 0.000 . . . . . A 101 ARG HD3 . 25761 1 1077 . 1 1 101 101 ARG CA C 13 54.187 0.000 . . . . . A 101 ARG CA . 25761 1 1078 . 1 1 101 101 ARG CB C 13 27.859 0.000 . . . . . A 101 ARG CB . 25761 1 1079 . 1 1 101 101 ARG CG C 13 23.626 0.000 . . . . . A 101 ARG CG . 25761 1 1080 . 1 1 101 101 ARG CD C 13 40.425 0.000 . . . . . A 101 ARG CD . 25761 1 1081 . 1 1 101 101 ARG N N 15 120.072 0.000 . . . . . A 101 ARG N . 25761 1 1082 . 1 1 102 102 HIS H H 1 5.928 0.000 . . . . . A 102 HIS H . 25761 1 1083 . 1 1 102 102 HIS HA H 1 4.353 0.000 . . . . . A 102 HIS HA . 25761 1 1084 . 1 1 102 102 HIS HB2 H 1 2.286 0.000 . . . . . A 102 HIS HB2 . 25761 1 1085 . 1 1 102 102 HIS HB3 H 1 2.601 0.000 . . . . . A 102 HIS HB3 . 25761 1 1086 . 1 1 102 102 HIS HD2 H 1 6.584 0.000 . . . . . A 102 HIS HD2 . 25761 1 1087 . 1 1 102 102 HIS CA C 13 51.683 0.000 . . . . . A 102 HIS CA . 25761 1 1088 . 1 1 102 102 HIS CB C 13 29.524 0.000 . . . . . A 102 HIS CB . 25761 1 1089 . 1 1 102 102 HIS CD2 C 13 121.378 0.000 . . . . . A 102 HIS CD2 . 25761 1 1090 . 1 1 102 102 HIS N N 15 112.990 0.000 . . . . . A 102 HIS N . 25761 1 1091 . 1 1 103 103 PHE H H 1 6.660 0.000 . . . . . A 103 PHE H . 25761 1 1092 . 1 1 103 103 PHE HA H 1 3.393 0.000 . . . . . A 103 PHE HA . 25761 1 1093 . 1 1 103 103 PHE HB2 H 1 2.845 0.000 . . . . . A 103 PHE HB2 . 25761 1 1094 . 1 1 103 103 PHE HB3 H 1 3.019 0.000 . . . . . A 103 PHE HB3 . 25761 1 1095 . 1 1 103 103 PHE HD1 H 1 6.750 0.000 . . . . . A 103 PHE QD . 25761 1 1096 . 1 1 103 103 PHE HD2 H 1 6.750 0.000 . . . . . A 103 PHE QD . 25761 1 1097 . 1 1 103 103 PHE CA C 13 57.875 0.000 . . . . . A 103 PHE CA . 25761 1 1098 . 1 1 103 103 PHE CB C 13 33.351 0.000 . . . . . A 103 PHE CB . 25761 1 1099 . 1 1 103 103 PHE CD1 C 13 134.806 0.000 . . . . . A 103 PHE CD1 . 25761 1 1100 . 1 1 103 103 PHE CD2 C 13 134.806 0.000 . . . . . A 103 PHE CD2 . 25761 1 1101 . 1 1 103 103 PHE N N 15 106.623 0.000 . . . . . A 103 PHE N . 25761 1 1102 . 1 1 104 104 LEU H H 1 10.737 0.000 . . . . . A 104 LEU H . 25761 1 1103 . 1 1 104 104 LEU HA H 1 4.248 0.000 . . . . . A 104 LEU HA . 25761 1 1104 . 1 1 104 104 LEU HB2 H 1 0.626 0.000 . . . . . A 104 LEU HB2 . 25761 1 1105 . 1 1 104 104 LEU HB3 H 1 1.265 0.000 . . . . . A 104 LEU HB3 . 25761 1 1106 . 1 1 104 104 LEU HG H 1 1.206 0.000 . . . . . A 104 LEU HG . 25761 1 1107 . 1 1 104 104 LEU HD11 H 1 -1.180 0.000 . . . . . A 104 LEU QD1 . 25761 1 1108 . 1 1 104 104 LEU HD12 H 1 -1.180 0.000 . . . . . A 104 LEU QD1 . 25761 1 1109 . 1 1 104 104 LEU HD13 H 1 -1.180 0.000 . . . . . A 104 LEU QD1 . 25761 1 1110 . 1 1 104 104 LEU HD21 H 1 0.181 0.000 . . . . . A 104 LEU QD2 . 25761 1 1111 . 1 1 104 104 LEU HD22 H 1 0.181 0.000 . . . . . A 104 LEU QD2 . 25761 1 1112 . 1 1 104 104 LEU HD23 H 1 0.181 0.000 . . . . . A 104 LEU QD2 . 25761 1 1113 . 1 1 104 104 LEU CA C 13 52.850 0.000 . . . . . A 104 LEU CA . 25761 1 1114 . 1 1 104 104 LEU CB C 13 38.257 0.000 . . . . . A 104 LEU CB . 25761 1 1115 . 1 1 104 104 LEU CG C 13 22.350 0.000 . . . . . A 104 LEU CG . 25761 1 1116 . 1 1 104 104 LEU CD1 C 13 19.316 0.000 . . . . . A 104 LEU CD1 . 25761 1 1117 . 1 1 104 104 LEU CD2 C 13 20.459 0.000 . . . . . A 104 LEU CD2 . 25761 1 1118 . 1 1 104 104 LEU N N 15 123.743 0.000 . . . . . A 104 LEU N . 25761 1 1119 . 1 1 105 105 THR H H 1 9.213 0.000 . . . . . A 105 THR H . 25761 1 1120 . 1 1 105 105 THR HA H 1 4.313 0.000 . . . . . A 105 THR HA . 25761 1 1121 . 1 1 105 105 THR HB H 1 4.281 0.000 . . . . . A 105 THR HB . 25761 1 1122 . 1 1 105 105 THR HG21 H 1 0.966 0.000 . . . . . A 105 THR QG2 . 25761 1 1123 . 1 1 105 105 THR HG22 H 1 0.966 0.000 . . . . . A 105 THR QG2 . 25761 1 1124 . 1 1 105 105 THR HG23 H 1 0.966 0.000 . . . . . A 105 THR QG2 . 25761 1 1125 . 1 1 105 105 THR CA C 13 59.658 0.000 . . . . . A 105 THR CA . 25761 1 1126 . 1 1 105 105 THR CB C 13 66.210 0.000 . . . . . A 105 THR CB . 25761 1 1127 . 1 1 105 105 THR CG2 C 13 18.471 0.000 . . . . . A 105 THR CG2 . 25761 1 1128 . 1 1 105 105 THR N N 15 113.822 0.000 . . . . . A 105 THR N . 25761 1 1129 . 1 1 106 106 GLU H H 1 7.734 0.000 . . . . . A 106 GLU H . 25761 1 1130 . 1 1 106 106 GLU HA H 1 4.613 0.000 . . . . . A 106 GLU HA . 25761 1 1131 . 1 1 106 106 GLU HB2 H 1 2.172 0.000 . . . . . A 106 GLU HB2 . 25761 1 1132 . 1 1 106 106 GLU HB3 H 1 2.322 0.000 . . . . . A 106 GLU HB3 . 25761 1 1133 . 1 1 106 106 GLU HG2 H 1 2.379 0.000 . . . . . A 106 GLU HG2 . 25761 1 1134 . 1 1 106 106 GLU HG3 H 1 2.435 0.000 . . . . . A 106 GLU HG3 . 25761 1 1135 . 1 1 106 106 GLU CB C 13 24.135 0.000 . . . . . A 106 GLU CB . 25761 1 1136 . 1 1 106 106 GLU CG C 13 34.373 0.000 . . . . . A 106 GLU CG . 25761 1 1137 . 1 1 106 106 GLU N N 15 123.871 0.000 . . . . . A 106 GLU N . 25761 1 1138 . 1 1 107 107 PRO HA H 1 4.264 0.000 . . . . . A 107 PRO HA . 25761 1 1139 . 1 1 107 107 PRO HB2 H 1 2.297 0.000 . . . . . A 107 PRO HB2 . 25761 1 1140 . 1 1 107 107 PRO HB3 H 1 1.804 0.000 . . . . . A 107 PRO HB3 . 25761 1 1141 . 1 1 107 107 PRO HG2 H 1 2.103 0.000 . . . . . A 107 PRO HG2 . 25761 1 1142 . 1 1 107 107 PRO HG3 H 1 1.935 0.000 . . . . . A 107 PRO HG3 . 25761 1 1143 . 1 1 107 107 PRO HD2 H 1 3.845 0.000 . . . . . A 107 PRO HD2 . 25761 1 1144 . 1 1 107 107 PRO HD3 H 1 3.914 0.000 . . . . . A 107 PRO HD3 . 25761 1 1145 . 1 1 107 107 PRO CA C 13 61.464 0.000 . . . . . A 107 PRO CA . 25761 1 1146 . 1 1 107 107 PRO CB C 13 29.803 0.000 . . . . . A 107 PRO CB . 25761 1 1147 . 1 1 107 107 PRO CG C 13 25.857 0.000 . . . . . A 107 PRO CG . 25761 1 1148 . 1 1 107 107 PRO CD C 13 47.709 0.000 . . . . . A 107 PRO CD . 25761 1 1149 . 1 1 108 108 VAL H H 1 8.137 0.000 . . . . . A 108 VAL H . 25761 1 1150 . 1 1 108 108 VAL HB H 1 1.712 0.000 . . . . . A 108 VAL HB . 25761 1 1151 . 1 1 108 108 VAL HG11 H 1 0.486 0.000 . . . . . A 108 VAL QG1 . 25761 1 1152 . 1 1 108 108 VAL HG12 H 1 0.486 0.000 . . . . . A 108 VAL QG1 . 25761 1 1153 . 1 1 108 108 VAL HG13 H 1 0.486 0.000 . . . . . A 108 VAL QG1 . 25761 1 1154 . 1 1 108 108 VAL HG21 H 1 0.402 0.000 . . . . . A 108 VAL QG2 . 25761 1 1155 . 1 1 108 108 VAL HG22 H 1 0.402 0.000 . . . . . A 108 VAL QG2 . 25761 1 1156 . 1 1 108 108 VAL HG23 H 1 0.402 0.000 . . . . . A 108 VAL QG2 . 25761 1 1157 . 1 1 108 108 VAL CA C 13 57.808 0.000 . . . . . A 108 VAL CA . 25761 1 1158 . 1 1 108 108 VAL CB C 13 32.190 0.000 . . . . . A 108 VAL CB . 25761 1 1159 . 1 1 108 108 VAL CG2 C 13 18.685 0.000 . . . . . A 108 VAL CG2 . 25761 1 1160 . 1 1 108 108 VAL N N 15 120.628 0.000 . . . . . A 108 VAL N . 25761 1 1161 . 1 1 109 109 GLU H H 1 9.095 0.000 . . . . . A 109 GLU H . 25761 1 1162 . 1 1 109 109 GLU HA H 1 4.439 0.000 . . . . . A 109 GLU HA . 25761 1 1163 . 1 1 109 109 GLU HB2 H 1 2.260 0.000 . . . . . A 109 GLU HB2 . 25761 1 1164 . 1 1 109 109 GLU HB3 H 1 2.161 0.000 . . . . . A 109 GLU HB3 . 25761 1 1165 . 1 1 109 109 GLU HG2 H 1 2.374 0.000 . . . . . A 109 GLU HG2 . 25761 1 1166 . 1 1 109 109 GLU HG3 H 1 2.301 0.000 . . . . . A 109 GLU HG3 . 25761 1 1167 . 1 1 109 109 GLU CA C 13 53.908 0.000 . . . . . A 109 GLU CA . 25761 1 1168 . 1 1 109 109 GLU CB C 13 28.447 0.000 . . . . . A 109 GLU CB . 25761 1 1169 . 1 1 109 109 GLU CG C 13 34.110 0.000 . . . . . A 109 GLU CG . 25761 1 1170 . 1 1 109 109 GLU N N 15 128.850 0.000 . . . . . A 109 GLU N . 25761 1 1171 . 1 1 110 110 SER H H 1 8.154 0.000 . . . . . A 110 SER H . 25761 1 1172 . 1 1 110 110 SER HA H 1 4.239 0.000 . . . . . A 110 SER HA . 25761 1 1173 . 1 1 110 110 SER HB2 H 1 3.851 0.000 . . . . . A 110 SER QB . 25761 1 1174 . 1 1 110 110 SER HB3 H 1 3.851 0.000 . . . . . A 110 SER QB . 25761 1 1175 . 1 1 110 110 SER CA C 13 57.774 0.000 . . . . . A 110 SER CA . 25761 1 1176 . 1 1 110 110 SER CB C 13 62.263 0.000 . . . . . A 110 SER CB . 25761 1 1177 . 1 1 110 110 SER N N 15 125.379 0.000 . . . . . A 110 SER N . 25761 1 stop_ save_