data_34536 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34536 _Entry.Title ; TFIIS N-terminal domain (TND) from human Elongin-A ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-07-23 _Entry.Accession_date 2020-07-23 _Entry.Last_release_date 2020-08-17 _Entry.Original_release_date 2020-08-17 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 V. Veverka V. . . . 34536 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID TRANSCRIPTION . 34536 'elongation factor' . 34536 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34536 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 395 34536 '15N chemical shifts' 91 34536 '1H chemical shifts' 654 34536 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2022-06-15 2020-07-23 update BMRB 'update entry citation' 34536 1 . . 2021-11-28 2020-07-23 original author 'original release' 34536 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6ZUZ 'BMRB Entry Tracking System' 34536 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34536 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34822292 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; A ubiquitous disordered protein interaction module orchestrates transcription elongation ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Science _Citation.Journal_name_full 'Science (New York, N.Y.)' _Citation.Journal_volume 374 _Citation.Journal_issue 6571 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1095-9203 _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1113 _Citation.Page_last 1121 _Citation.Year 2021 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Katerina Cermakova K. . . . 34536 1 2 Jonas Demeulemeester J. . . . 34536 1 3 Vanda Lux V. . . . 34536 1 4 Monika Nedomova M. . . . 34536 1 5 Seth Goldman S. R. . . 34536 1 6 Eric Smith E. A. . . 34536 1 7 Pavel Srb P. . . . 34536 1 8 Rozalie Hexnerova R. . . . 34536 1 9 Milan Fabry M. . . . 34536 1 10 Marcela Madlikova M. . . . 34536 1 11 Magdalena Horejsi M. . . . 34536 1 12 Jan 'De Rijck' J. . . . 34536 1 13 Zeger Debyser Z. . . . 34536 1 14 Karen Adelman K. . . . 34536 1 15 'H Courtney' Hodges H. C. . . 34536 1 16 Vaclav Veverka V. . . . 34536 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34536 _Assembly.ID 1 _Assembly.Name Elongin-A _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 34536 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34536 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SNAASAMAAESALQVVEKLQ ARLAANPDPKKLLKYLKKLS TLPITVDILAETGVGKTVNS LRKHEHVGSFARDLVAQWKK LVPVERNAGS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 90 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9705.288 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID EloA common 34536 1 'Elongin 110 kDa subunit' common 34536 1 'RNA polymerase II transcription factor SIII subunit A1' common 34536 1 'SIII p110' common 34536 1 'Transcription elongation factor B polypeptide 3' common 34536 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 21 SER . 34536 1 2 22 ASN . 34536 1 3 23 ALA . 34536 1 4 24 ALA . 34536 1 5 25 SER . 34536 1 6 26 ALA . 34536 1 7 27 MET . 34536 1 8 28 ALA . 34536 1 9 29 ALA . 34536 1 10 30 GLU . 34536 1 11 31 SER . 34536 1 12 32 ALA . 34536 1 13 33 LEU . 34536 1 14 34 GLN . 34536 1 15 35 VAL . 34536 1 16 36 VAL . 34536 1 17 37 GLU . 34536 1 18 38 LYS . 34536 1 19 39 LEU . 34536 1 20 40 GLN . 34536 1 21 41 ALA . 34536 1 22 42 ARG . 34536 1 23 43 LEU . 34536 1 24 44 ALA . 34536 1 25 45 ALA . 34536 1 26 46 ASN . 34536 1 27 47 PRO . 34536 1 28 48 ASP . 34536 1 29 49 PRO . 34536 1 30 50 LYS . 34536 1 31 51 LYS . 34536 1 32 52 LEU . 34536 1 33 53 LEU . 34536 1 34 54 LYS . 34536 1 35 55 TYR . 34536 1 36 56 LEU . 34536 1 37 57 LYS . 34536 1 38 58 LYS . 34536 1 39 59 LEU . 34536 1 40 60 SER . 34536 1 41 61 THR . 34536 1 42 62 LEU . 34536 1 43 63 PRO . 34536 1 44 64 ILE . 34536 1 45 65 THR . 34536 1 46 66 VAL . 34536 1 47 67 ASP . 34536 1 48 68 ILE . 34536 1 49 69 LEU . 34536 1 50 70 ALA . 34536 1 51 71 GLU . 34536 1 52 72 THR . 34536 1 53 73 GLY . 34536 1 54 74 VAL . 34536 1 55 75 GLY . 34536 1 56 76 LYS . 34536 1 57 77 THR . 34536 1 58 78 VAL . 34536 1 59 79 ASN . 34536 1 60 80 SER . 34536 1 61 81 LEU . 34536 1 62 82 ARG . 34536 1 63 83 LYS . 34536 1 64 84 HIS . 34536 1 65 85 GLU . 34536 1 66 86 HIS . 34536 1 67 87 VAL . 34536 1 68 88 GLY . 34536 1 69 89 SER . 34536 1 70 90 PHE . 34536 1 71 91 ALA . 34536 1 72 92 ARG . 34536 1 73 93 ASP . 34536 1 74 94 LEU . 34536 1 75 95 VAL . 34536 1 76 96 ALA . 34536 1 77 97 GLN . 34536 1 78 98 TRP . 34536 1 79 99 LYS . 34536 1 80 100 LYS . 34536 1 81 101 LEU . 34536 1 82 102 VAL . 34536 1 83 103 PRO . 34536 1 84 104 VAL . 34536 1 85 105 GLU . 34536 1 86 106 ARG . 34536 1 87 107 ASN . 34536 1 88 108 ALA . 34536 1 89 109 GLY . 34536 1 90 110 SER . 34536 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . SER 1 1 34536 1 . ASN 2 2 34536 1 . ALA 3 3 34536 1 . ALA 4 4 34536 1 . SER 5 5 34536 1 . ALA 6 6 34536 1 . MET 7 7 34536 1 . ALA 8 8 34536 1 . ALA 9 9 34536 1 . GLU 10 10 34536 1 . SER 11 11 34536 1 . ALA 12 12 34536 1 . LEU 13 13 34536 1 . GLN 14 14 34536 1 . VAL 15 15 34536 1 . VAL 16 16 34536 1 . GLU 17 17 34536 1 . LYS 18 18 34536 1 . LEU 19 19 34536 1 . GLN 20 20 34536 1 . ALA 21 21 34536 1 . ARG 22 22 34536 1 . LEU 23 23 34536 1 . ALA 24 24 34536 1 . ALA 25 25 34536 1 . ASN 26 26 34536 1 . PRO 27 27 34536 1 . ASP 28 28 34536 1 . PRO 29 29 34536 1 . LYS 30 30 34536 1 . LYS 31 31 34536 1 . LEU 32 32 34536 1 . LEU 33 33 34536 1 . LYS 34 34 34536 1 . TYR 35 35 34536 1 . LEU 36 36 34536 1 . LYS 37 37 34536 1 . LYS 38 38 34536 1 . LEU 39 39 34536 1 . SER 40 40 34536 1 . THR 41 41 34536 1 . LEU 42 42 34536 1 . PRO 43 43 34536 1 . ILE 44 44 34536 1 . THR 45 45 34536 1 . VAL 46 46 34536 1 . ASP 47 47 34536 1 . ILE 48 48 34536 1 . LEU 49 49 34536 1 . ALA 50 50 34536 1 . GLU 51 51 34536 1 . THR 52 52 34536 1 . GLY 53 53 34536 1 . VAL 54 54 34536 1 . GLY 55 55 34536 1 . LYS 56 56 34536 1 . THR 57 57 34536 1 . VAL 58 58 34536 1 . ASN 59 59 34536 1 . SER 60 60 34536 1 . LEU 61 61 34536 1 . ARG 62 62 34536 1 . LYS 63 63 34536 1 . HIS 64 64 34536 1 . GLU 65 65 34536 1 . HIS 66 66 34536 1 . VAL 67 67 34536 1 . GLY 68 68 34536 1 . SER 69 69 34536 1 . PHE 70 70 34536 1 . ALA 71 71 34536 1 . ARG 72 72 34536 1 . ASP 73 73 34536 1 . LEU 74 74 34536 1 . VAL 75 75 34536 1 . ALA 76 76 34536 1 . GLN 77 77 34536 1 . TRP 78 78 34536 1 . LYS 79 79 34536 1 . LYS 80 80 34536 1 . LEU 81 81 34536 1 . VAL 82 82 34536 1 . PRO 83 83 34536 1 . VAL 84 84 34536 1 . GLU 85 85 34536 1 . ARG 86 86 34536 1 . ASN 87 87 34536 1 . ALA 88 88 34536 1 . GLY 89 89 34536 1 . SER 90 90 34536 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 34536 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'ELOA, TCEB3, MSTP059' . 34536 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 34536 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 34536 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34536 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.5 mM [U-13C; U-15N] ELOA, 25 mM deuterated TRIS, 200 mM sodium chloride, 1 mM TCEP, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 ELOA '[U-13C; U-15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 34536 1 2 TRIS deuterated . . . . . . 25 . . mM . . . . 34536 1 3 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 34536 1 4 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 34536 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 34536 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 225 . mM 34536 1 pH 7.4 . pH 34536 1 pressure 1 . atm 34536 1 temperature 298 . K 34536 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34536 _Software.ID 1 _Software.Type . _Software.Name YASARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID YASARA . . 34536 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34536 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34536 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34536 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34536 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34536 _Software.ID 3 _Software.Type . _Software.Name Sparky _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 34536 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34536 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34536 _Software.ID 4 _Software.Type . _Software.Name TopSpin _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34536 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 34536 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34536 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 34536 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AVANCE . 850 . . . 34536 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 34536 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34536 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34536 1 3 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34536 1 4 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34536 1 5 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34536 1 6 '3D 1H-13C NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34536 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34536 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34536 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 34536 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34536 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 34536 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34536 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCACB' . . . 34536 1 2 '3D CBCA(CO)NH' . . . 34536 1 3 '3D HNCO' . . . 34536 1 4 '3D HBHA(CO)NH' . . . 34536 1 5 '3D HCCH-TOCSY' . . . 34536 1 6 '3D 1H-13C NOESY' . . . 34536 1 7 '3D 1H-15N NOESY' . . . 34536 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 SER HA H 1 3.852 0.01 . . . . . . A 21 SER HA . 34536 1 2 . 1 . 1 1 1 SER HB2 H 1 3.892 0.00 . . . . . . A 21 SER HB2 . 34536 1 3 . 1 . 1 1 1 SER HB3 H 1 3.841 0.00 . . . . . . A 21 SER HB3 . 34536 1 4 . 1 . 1 1 1 SER CA C 13 58.038 0.01 . . . . . . A 21 SER CA . 34536 1 5 . 1 . 1 1 1 SER CB C 13 65.233 0.00 . . . . . . A 21 SER CB . 34536 1 6 . 1 . 1 2 2 ASN HD21 H 1 7.634 0.00 . . . . . . A 22 ASN HD21 . 34536 1 7 . 1 . 1 2 2 ASN HD22 H 1 6.935 0.00 . . . . . . A 22 ASN HD22 . 34536 1 8 . 1 . 1 2 2 ASN ND2 N 15 113.244 0.00 . . . . . . A 22 ASN ND2 . 34536 1 9 . 1 . 1 3 3 ALA HA H 1 4.284 0.00 . . . . . . A 23 ALA HA . 34536 1 10 . 1 . 1 3 3 ALA HB1 H 1 1.400 0.00 . . . . . . A 23 ALA HB1 . 34536 1 11 . 1 . 1 3 3 ALA HB2 H 1 1.400 0.00 . . . . . . A 23 ALA HB2 . 34536 1 12 . 1 . 1 3 3 ALA HB3 H 1 1.400 0.00 . . . . . . A 23 ALA HB3 . 34536 1 13 . 1 . 1 3 3 ALA C C 13 177.877 0.00 . . . . . . A 23 ALA C . 34536 1 14 . 1 . 1 3 3 ALA CA C 13 53.051 0.00 . . . . . . A 23 ALA CA . 34536 1 15 . 1 . 1 3 3 ALA CB C 13 19.084 0.00 . . . . . . A 23 ALA CB . 34536 1 16 . 1 . 1 4 4 ALA H H 1 8.296 0.00 . . . . . . A 24 ALA H . 34536 1 17 . 1 . 1 4 4 ALA HA H 1 4.305 0.00 . . . . . . A 24 ALA HA . 34536 1 18 . 1 . 1 4 4 ALA HB1 H 1 1.421 0.00 . . . . . . A 24 ALA HB1 . 34536 1 19 . 1 . 1 4 4 ALA HB2 H 1 1.421 0.00 . . . . . . A 24 ALA HB2 . 34536 1 20 . 1 . 1 4 4 ALA HB3 H 1 1.421 0.00 . . . . . . A 24 ALA HB3 . 34536 1 21 . 1 . 1 4 4 ALA C C 13 178.356 0.00 . . . . . . A 24 ALA C . 34536 1 22 . 1 . 1 4 4 ALA CA C 13 53.039 0.01 . . . . . . A 24 ALA CA . 34536 1 23 . 1 . 1 4 4 ALA CB C 13 18.970 0.01 . . . . . . A 24 ALA CB . 34536 1 24 . 1 . 1 4 4 ALA N N 15 122.898 0.00 . . . . . . A 24 ALA N . 34536 1 25 . 1 . 1 5 5 SER H H 1 8.160 0.00 . . . . . . A 25 SER H . 34536 1 26 . 1 . 1 5 5 SER HA H 1 4.401 0.00 . . . . . . A 25 SER HA . 34536 1 27 . 1 . 1 5 5 SER HB2 H 1 3.923 0.00 . . . . . . A 25 SER HB2 . 34536 1 28 . 1 . 1 5 5 SER HB3 H 1 3.885 0.00 . . . . . . A 25 SER HB3 . 34536 1 29 . 1 . 1 5 5 SER C C 13 174.721 0.02 . . . . . . A 25 SER C . 34536 1 30 . 1 . 1 5 5 SER CA C 13 58.681 0.01 . . . . . . A 25 SER CA . 34536 1 31 . 1 . 1 5 5 SER CB C 13 63.774 0.01 . . . . . . A 25 SER CB . 34536 1 32 . 1 . 1 5 5 SER N N 15 114.650 0.01 . . . . . . A 25 SER N . 34536 1 33 . 1 . 1 6 6 ALA H H 1 8.222 0.00 . . . . . . A 26 ALA H . 34536 1 34 . 1 . 1 6 6 ALA HA H 1 4.337 0.00 . . . . . . A 26 ALA HA . 34536 1 35 . 1 . 1 6 6 ALA HB1 H 1 1.417 0.00 . . . . . . A 26 ALA HB1 . 34536 1 36 . 1 . 1 6 6 ALA HB2 H 1 1.417 0.00 . . . . . . A 26 ALA HB2 . 34536 1 37 . 1 . 1 6 6 ALA HB3 H 1 1.417 0.00 . . . . . . A 26 ALA HB3 . 34536 1 38 . 1 . 1 6 6 ALA C C 13 177.972 0.00 . . . . . . A 26 ALA C . 34536 1 39 . 1 . 1 6 6 ALA CA C 13 52.947 0.03 . . . . . . A 26 ALA CA . 34536 1 40 . 1 . 1 6 6 ALA CB C 13 19.106 0.01 . . . . . . A 26 ALA CB . 34536 1 41 . 1 . 1 6 6 ALA N N 15 125.835 0.01 . . . . . . A 26 ALA N . 34536 1 42 . 1 . 1 7 7 MET H H 1 8.180 0.00 . . . . . . A 27 MET H . 34536 1 43 . 1 . 1 7 7 MET HA H 1 4.419 0.00 . . . . . . A 27 MET HA . 34536 1 44 . 1 . 1 7 7 MET HB2 H 1 2.097 0.00 . . . . . . A 27 MET HB2 . 34536 1 45 . 1 . 1 7 7 MET HB3 H 1 2.022 0.00 . . . . . . A 27 MET HB3 . 34536 1 46 . 1 . 1 7 7 MET HG2 H 1 2.632 0.00 . . . . . . A 27 MET HG2 . 34536 1 47 . 1 . 1 7 7 MET HG3 H 1 2.575 0.00 . . . . . . A 27 MET HG3 . 34536 1 48 . 1 . 1 7 7 MET HE1 H 1 2.104 0.00 . . . . . . A 27 MET HE1 . 34536 1 49 . 1 . 1 7 7 MET HE2 H 1 2.104 0.00 . . . . . . A 27 MET HE2 . 34536 1 50 . 1 . 1 7 7 MET HE3 H 1 2.104 0.00 . . . . . . A 27 MET HE3 . 34536 1 51 . 1 . 1 7 7 MET C C 13 176.143 0.00 . . . . . . A 27 MET C . 34536 1 52 . 1 . 1 7 7 MET CA C 13 55.776 0.02 . . . . . . A 27 MET CA . 34536 1 53 . 1 . 1 7 7 MET CB C 13 32.995 0.03 . . . . . . A 27 MET CB . 34536 1 54 . 1 . 1 7 7 MET CG C 13 31.986 0.05 . . . . . . A 27 MET CG . 34536 1 55 . 1 . 1 7 7 MET CE C 13 17.001 0.00 . . . . . . A 27 MET CE . 34536 1 56 . 1 . 1 7 7 MET N N 15 119.053 0.00 . . . . . . A 27 MET N . 34536 1 57 . 1 . 1 8 8 ALA H H 1 8.198 0.00 . . . . . . A 28 ALA H . 34536 1 58 . 1 . 1 8 8 ALA HA H 1 4.298 0.00 . . . . . . A 28 ALA HA . 34536 1 59 . 1 . 1 8 8 ALA HB1 H 1 1.426 0.00 . . . . . . A 28 ALA HB1 . 34536 1 60 . 1 . 1 8 8 ALA HB2 H 1 1.426 0.00 . . . . . . A 28 ALA HB2 . 34536 1 61 . 1 . 1 8 8 ALA HB3 H 1 1.426 0.00 . . . . . . A 28 ALA HB3 . 34536 1 62 . 1 . 1 8 8 ALA C C 13 177.690 0.00 . . . . . . A 28 ALA C . 34536 1 63 . 1 . 1 8 8 ALA CA C 13 52.672 0.04 . . . . . . A 28 ALA CA . 34536 1 64 . 1 . 1 8 8 ALA CB C 13 19.164 0.01 . . . . . . A 28 ALA CB . 34536 1 65 . 1 . 1 8 8 ALA N N 15 125.206 0.00 . . . . . . A 28 ALA N . 34536 1 66 . 1 . 1 9 9 ALA H H 1 8.250 0.00 . . . . . . A 29 ALA H . 34536 1 67 . 1 . 1 9 9 ALA HA H 1 4.281 0.00 . . . . . . A 29 ALA HA . 34536 1 68 . 1 . 1 9 9 ALA HB1 H 1 1.411 0.00 . . . . . . A 29 ALA HB1 . 34536 1 69 . 1 . 1 9 9 ALA HB2 H 1 1.411 0.00 . . . . . . A 29 ALA HB2 . 34536 1 70 . 1 . 1 9 9 ALA HB3 H 1 1.411 0.00 . . . . . . A 29 ALA HB3 . 34536 1 71 . 1 . 1 9 9 ALA C C 13 178.000 0.00 . . . . . . A 29 ALA C . 34536 1 72 . 1 . 1 9 9 ALA CA C 13 52.915 0.03 . . . . . . A 29 ALA CA . 34536 1 73 . 1 . 1 9 9 ALA CB C 13 19.203 0.02 . . . . . . A 29 ALA CB . 34536 1 74 . 1 . 1 9 9 ALA N N 15 123.604 0.00 . . . . . . A 29 ALA N . 34536 1 75 . 1 . 1 10 10 GLU H H 1 8.304 0.00 . . . . . . A 30 GLU H . 34536 1 76 . 1 . 1 10 10 GLU HA H 1 4.312 0.00 . . . . . . A 30 GLU HA . 34536 1 77 . 1 . 1 10 10 GLU HB2 H 1 2.021 0.00 . . . . . . A 30 GLU HB2 . 34536 1 78 . 1 . 1 10 10 GLU HB3 H 1 1.919 0.00 . . . . . . A 30 GLU HB3 . 34536 1 79 . 1 . 1 10 10 GLU HG2 H 1 2.275 0.00 . . . . . . A 30 GLU HG2 . 34536 1 80 . 1 . 1 10 10 GLU HG3 H 1 2.220 0.00 . . . . . . A 30 GLU HG3 . 34536 1 81 . 1 . 1 10 10 GLU C C 13 176.874 0.00 . . . . . . A 30 GLU C . 34536 1 82 . 1 . 1 10 10 GLU CA C 13 56.909 0.03 . . . . . . A 30 GLU CA . 34536 1 83 . 1 . 1 10 10 GLU CB C 13 30.841 0.01 . . . . . . A 30 GLU CB . 34536 1 84 . 1 . 1 10 10 GLU CG C 13 36.757 0.03 . . . . . . A 30 GLU CG . 34536 1 85 . 1 . 1 10 10 GLU N N 15 119.943 0.00 . . . . . . A 30 GLU N . 34536 1 86 . 1 . 1 11 11 SER H H 1 8.443 0.00 . . . . . . A 31 SER H . 34536 1 87 . 1 . 1 11 11 SER HA H 1 4.473 0.00 . . . . . . A 31 SER HA . 34536 1 88 . 1 . 1 11 11 SER HB2 H 1 4.230 0.00 . . . . . . A 31 SER HB2 . 34536 1 89 . 1 . 1 11 11 SER HB3 H 1 3.994 0.00 . . . . . . A 31 SER HB3 . 34536 1 90 . 1 . 1 11 11 SER C C 13 174.857 0.01 . . . . . . A 31 SER C . 34536 1 91 . 1 . 1 11 11 SER CA C 13 57.981 0.04 . . . . . . A 31 SER CA . 34536 1 92 . 1 . 1 11 11 SER CB C 13 64.550 0.03 . . . . . . A 31 SER CB . 34536 1 93 . 1 . 1 11 11 SER N N 15 118.452 0.01 . . . . . . A 31 SER N . 34536 1 94 . 1 . 1 12 12 ALA H H 1 8.644 0.00 . . . . . . A 32 ALA H . 34536 1 95 . 1 . 1 12 12 ALA HA H 1 4.106 0.00 . . . . . . A 32 ALA HA . 34536 1 96 . 1 . 1 12 12 ALA HB1 H 1 1.384 0.00 . . . . . . A 32 ALA HB1 . 34536 1 97 . 1 . 1 12 12 ALA HB2 H 1 1.384 0.00 . . . . . . A 32 ALA HB2 . 34536 1 98 . 1 . 1 12 12 ALA HB3 H 1 1.384 0.00 . . . . . . A 32 ALA HB3 . 34536 1 99 . 1 . 1 12 12 ALA C C 13 178.844 0.00 . . . . . . A 32 ALA C . 34536 1 100 . 1 . 1 12 12 ALA CA C 13 55.514 0.03 . . . . . . A 32 ALA CA . 34536 1 101 . 1 . 1 12 12 ALA CB C 13 17.951 0.00 . . . . . . A 32 ALA CB . 34536 1 102 . 1 . 1 12 12 ALA N N 15 124.427 0.01 . . . . . . A 32 ALA N . 34536 1 103 . 1 . 1 13 13 LEU H H 1 8.149 0.00 . . . . . . A 33 LEU H . 34536 1 104 . 1 . 1 13 13 LEU HA H 1 3.785 0.00 . . . . . . A 33 LEU HA . 34536 1 105 . 1 . 1 13 13 LEU HB2 H 1 1.663 0.00 . . . . . . A 33 LEU HB2 . 34536 1 106 . 1 . 1 13 13 LEU HB3 H 1 1.579 0.00 . . . . . . A 33 LEU HB3 . 34536 1 107 . 1 . 1 13 13 LEU HG H 1 1.498 0.00 . . . . . . A 33 LEU HG . 34536 1 108 . 1 . 1 13 13 LEU HD11 H 1 0.851 0.00 . . . . . . A 33 LEU HD11 . 34536 1 109 . 1 . 1 13 13 LEU HD12 H 1 0.851 0.00 . . . . . . A 33 LEU HD12 . 34536 1 110 . 1 . 1 13 13 LEU HD13 H 1 0.851 0.00 . . . . . . A 33 LEU HD13 . 34536 1 111 . 1 . 1 13 13 LEU HD21 H 1 0.845 0.00 . . . . . . A 33 LEU HD21 . 34536 1 112 . 1 . 1 13 13 LEU HD22 H 1 0.845 0.00 . . . . . . A 33 LEU HD22 . 34536 1 113 . 1 . 1 13 13 LEU HD23 H 1 0.845 0.00 . . . . . . A 33 LEU HD23 . 34536 1 114 . 1 . 1 13 13 LEU C C 13 177.784 0.00 . . . . . . A 33 LEU C . 34536 1 115 . 1 . 1 13 13 LEU CA C 13 59.045 0.03 . . . . . . A 33 LEU CA . 34536 1 116 . 1 . 1 13 13 LEU CB C 13 41.879 0.04 . . . . . . A 33 LEU CB . 34536 1 117 . 1 . 1 13 13 LEU CG C 13 27.253 0.00 . . . . . . A 33 LEU CG . 34536 1 118 . 1 . 1 13 13 LEU CD1 C 13 24.595 0.03 . . . . . . A 33 LEU CD1 . 34536 1 119 . 1 . 1 13 13 LEU CD2 C 13 25.444 0.06 . . . . . . A 33 LEU CD2 . 34536 1 120 . 1 . 1 13 13 LEU N N 15 117.422 0.01 . . . . . . A 33 LEU N . 34536 1 121 . 1 . 1 14 14 GLN H H 1 7.557 0.00 . . . . . . A 34 GLN H . 34536 1 122 . 1 . 1 14 14 GLN HA H 1 4.105 0.01 . . . . . . A 34 GLN HA . 34536 1 123 . 1 . 1 14 14 GLN HB2 H 1 2.305 0.00 . . . . . . A 34 GLN HB2 . 34536 1 124 . 1 . 1 14 14 GLN HB3 H 1 2.071 0.00 . . . . . . A 34 GLN HB3 . 34536 1 125 . 1 . 1 14 14 GLN HG2 H 1 2.466 0.00 . . . . . . A 34 GLN HG2 . 34536 1 126 . 1 . 1 14 14 GLN HG3 H 1 2.466 0.00 . . . . . . A 34 GLN HG3 . 34536 1 127 . 1 . 1 14 14 GLN HE21 H 1 7.660 0.00 . . . . . . A 34 GLN HE21 . 34536 1 128 . 1 . 1 14 14 GLN HE22 H 1 6.869 0.00 . . . . . . A 34 GLN HE22 . 34536 1 129 . 1 . 1 14 14 GLN C C 13 179.372 0.00 . . . . . . A 34 GLN C . 34536 1 130 . 1 . 1 14 14 GLN CA C 13 59.097 0.04 . . . . . . A 34 GLN CA . 34536 1 131 . 1 . 1 14 14 GLN CB C 13 28.712 0.03 . . . . . . A 34 GLN CB . 34536 1 132 . 1 . 1 14 14 GLN CG C 13 35.016 0.01 . . . . . . A 34 GLN CG . 34536 1 133 . 1 . 1 14 14 GLN N N 15 116.715 0.01 . . . . . . A 34 GLN N . 34536 1 134 . 1 . 1 14 14 GLN NE2 N 15 112.422 0.00 . . . . . . A 34 GLN NE2 . 34536 1 135 . 1 . 1 15 15 VAL H H 1 8.035 0.00 . . . . . . A 35 VAL H . 34536 1 136 . 1 . 1 15 15 VAL HA H 1 3.609 0.01 . . . . . . A 35 VAL HA . 34536 1 137 . 1 . 1 15 15 VAL HB H 1 2.193 0.00 . . . . . . A 35 VAL HB . 34536 1 138 . 1 . 1 15 15 VAL HG11 H 1 1.030 0.03 . . . . . . A 35 VAL HG11 . 34536 1 139 . 1 . 1 15 15 VAL HG12 H 1 1.030 0.03 . . . . . . A 35 VAL HG12 . 34536 1 140 . 1 . 1 15 15 VAL HG13 H 1 1.030 0.03 . . . . . . A 35 VAL HG13 . 34536 1 141 . 1 . 1 15 15 VAL HG21 H 1 0.990 0.00 . . . . . . A 35 VAL HG21 . 34536 1 142 . 1 . 1 15 15 VAL HG22 H 1 0.990 0.00 . . . . . . A 35 VAL HG22 . 34536 1 143 . 1 . 1 15 15 VAL HG23 H 1 0.990 0.00 . . . . . . A 35 VAL HG23 . 34536 1 144 . 1 . 1 15 15 VAL C C 13 178.675 0.00 . . . . . . A 35 VAL C . 34536 1 145 . 1 . 1 15 15 VAL CA C 13 66.815 0.03 . . . . . . A 35 VAL CA . 34536 1 146 . 1 . 1 15 15 VAL CB C 13 31.584 0.05 . . . . . . A 35 VAL CB . 34536 1 147 . 1 . 1 15 15 VAL CG1 C 13 22.569 0.09 . . . . . . A 35 VAL CG1 . 34536 1 148 . 1 . 1 15 15 VAL CG2 C 13 22.471 0.00 . . . . . . A 35 VAL CG2 . 34536 1 149 . 1 . 1 15 15 VAL N N 15 120.378 0.01 . . . . . . A 35 VAL N . 34536 1 150 . 1 . 1 16 16 VAL H H 1 8.368 0.00 . . . . . . A 36 VAL H . 34536 1 151 . 1 . 1 16 16 VAL HA H 1 3.365 0.00 . . . . . . A 36 VAL HA . 34536 1 152 . 1 . 1 16 16 VAL HB H 1 2.221 0.00 . . . . . . A 36 VAL HB . 34536 1 153 . 1 . 1 16 16 VAL HG11 H 1 0.974 0.00 . . . . . . A 36 VAL HG11 . 34536 1 154 . 1 . 1 16 16 VAL HG12 H 1 0.974 0.00 . . . . . . A 36 VAL HG12 . 34536 1 155 . 1 . 1 16 16 VAL HG13 H 1 0.974 0.00 . . . . . . A 36 VAL HG13 . 34536 1 156 . 1 . 1 16 16 VAL HG21 H 1 0.802 0.01 . . . . . . A 36 VAL HG21 . 34536 1 157 . 1 . 1 16 16 VAL HG22 H 1 0.802 0.01 . . . . . . A 36 VAL HG22 . 34536 1 158 . 1 . 1 16 16 VAL HG23 H 1 0.802 0.01 . . . . . . A 36 VAL HG23 . 34536 1 159 . 1 . 1 16 16 VAL C C 13 177.497 0.00 . . . . . . A 36 VAL C . 34536 1 160 . 1 . 1 16 16 VAL CA C 13 67.813 0.01 . . . . . . A 36 VAL CA . 34536 1 161 . 1 . 1 16 16 VAL CB C 13 30.860 0.03 . . . . . . A 36 VAL CB . 34536 1 162 . 1 . 1 16 16 VAL CG1 C 13 24.483 0.00 . . . . . . A 36 VAL CG1 . 34536 1 163 . 1 . 1 16 16 VAL CG2 C 13 22.225 0.02 . . . . . . A 36 VAL CG2 . 34536 1 164 . 1 . 1 16 16 VAL N N 15 120.232 0.01 . . . . . . A 36 VAL N . 34536 1 165 . 1 . 1 17 17 GLU H H 1 8.539 0.00 . . . . . . A 37 GLU H . 34536 1 166 . 1 . 1 17 17 GLU HA H 1 4.077 0.00 . . . . . . A 37 GLU HA . 34536 1 167 . 1 . 1 17 17 GLU HB2 H 1 2.207 0.00 . . . . . . A 37 GLU HB2 . 34536 1 168 . 1 . 1 17 17 GLU HB3 H 1 1.989 0.00 . . . . . . A 37 GLU HB3 . 34536 1 169 . 1 . 1 17 17 GLU HG2 H 1 2.539 0.00 . . . . . . A 37 GLU HG2 . 34536 1 170 . 1 . 1 17 17 GLU HG3 H 1 2.166 0.00 . . . . . . A 37 GLU HG3 . 34536 1 171 . 1 . 1 17 17 GLU C C 13 180.210 0.00 . . . . . . A 37 GLU C . 34536 1 172 . 1 . 1 17 17 GLU CA C 13 60.150 0.01 . . . . . . A 37 GLU CA . 34536 1 173 . 1 . 1 17 17 GLU CB C 13 29.835 0.02 . . . . . . A 37 GLU CB . 34536 1 174 . 1 . 1 17 17 GLU CG C 13 37.072 0.01 . . . . . . A 37 GLU CG . 34536 1 175 . 1 . 1 17 17 GLU N N 15 118.907 0.01 . . . . . . A 37 GLU N . 34536 1 176 . 1 . 1 18 18 LYS H H 1 7.794 0.00 . . . . . . A 38 LYS H . 34536 1 177 . 1 . 1 18 18 LYS HA H 1 4.092 0.00 . . . . . . A 38 LYS HA . 34536 1 178 . 1 . 1 18 18 LYS HB2 H 1 1.975 0.00 . . . . . . A 38 LYS HB2 . 34536 1 179 . 1 . 1 18 18 LYS HB3 H 1 1.883 0.00 . . . . . . A 38 LYS HB3 . 34536 1 180 . 1 . 1 18 18 LYS HG2 H 1 1.654 0.00 . . . . . . A 38 LYS HG2 . 34536 1 181 . 1 . 1 18 18 LYS HG3 H 1 1.409 0.00 . . . . . . A 38 LYS HG3 . 34536 1 182 . 1 . 1 18 18 LYS HD2 H 1 1.683 0.00 . . . . . . A 38 LYS HD2 . 34536 1 183 . 1 . 1 18 18 LYS HD3 H 1 1.683 0.00 . . . . . . A 38 LYS HD3 . 34536 1 184 . 1 . 1 18 18 LYS HE2 H 1 2.991 0.00 . . . . . . A 38 LYS HE2 . 34536 1 185 . 1 . 1 18 18 LYS HE3 H 1 2.991 0.00 . . . . . . A 38 LYS HE3 . 34536 1 186 . 1 . 1 18 18 LYS C C 13 179.550 0.00 . . . . . . A 38 LYS C . 34536 1 187 . 1 . 1 18 18 LYS CA C 13 59.504 0.03 . . . . . . A 38 LYS CA . 34536 1 188 . 1 . 1 18 18 LYS CB C 13 32.319 0.03 . . . . . . A 38 LYS CB . 34536 1 189 . 1 . 1 18 18 LYS CG C 13 25.526 0.06 . . . . . . A 38 LYS CG . 34536 1 190 . 1 . 1 18 18 LYS CD C 13 29.267 0.07 . . . . . . A 38 LYS CD . 34536 1 191 . 1 . 1 18 18 LYS CE C 13 42.013 0.00 . . . . . . A 38 LYS CE . 34536 1 192 . 1 . 1 18 18 LYS N N 15 119.745 0.01 . . . . . . A 38 LYS N . 34536 1 193 . 1 . 1 19 19 LEU H H 1 8.263 0.00 . . . . . . A 39 LEU H . 34536 1 194 . 1 . 1 19 19 LEU HA H 1 3.755 0.00 . . . . . . A 39 LEU HA . 34536 1 195 . 1 . 1 19 19 LEU HB2 H 1 1.970 0.00 . . . . . . A 39 LEU HB2 . 34536 1 196 . 1 . 1 19 19 LEU HB3 H 1 1.139 0.00 . . . . . . A 39 LEU HB3 . 34536 1 197 . 1 . 1 19 19 LEU HG H 1 1.841 0.00 . . . . . . A 39 LEU HG . 34536 1 198 . 1 . 1 19 19 LEU HD11 H 1 0.877 0.00 . . . . . . A 39 LEU HD11 . 34536 1 199 . 1 . 1 19 19 LEU HD12 H 1 0.877 0.00 . . . . . . A 39 LEU HD12 . 34536 1 200 . 1 . 1 19 19 LEU HD13 H 1 0.877 0.00 . . . . . . A 39 LEU HD13 . 34536 1 201 . 1 . 1 19 19 LEU HD21 H 1 0.823 0.00 . . . . . . A 39 LEU HD21 . 34536 1 202 . 1 . 1 19 19 LEU HD22 H 1 0.823 0.00 . . . . . . A 39 LEU HD22 . 34536 1 203 . 1 . 1 19 19 LEU HD23 H 1 0.823 0.00 . . . . . . A 39 LEU HD23 . 34536 1 204 . 1 . 1 19 19 LEU C C 13 178.992 0.00 . . . . . . A 39 LEU C . 34536 1 205 . 1 . 1 19 19 LEU CA C 13 58.075 0.04 . . . . . . A 39 LEU CA . 34536 1 206 . 1 . 1 19 19 LEU CB C 13 41.996 0.03 . . . . . . A 39 LEU CB . 34536 1 207 . 1 . 1 19 19 LEU CG C 13 26.761 0.04 . . . . . . A 39 LEU CG . 34536 1 208 . 1 . 1 19 19 LEU CD1 C 13 26.429 0.01 . . . . . . A 39 LEU CD1 . 34536 1 209 . 1 . 1 19 19 LEU CD2 C 13 23.472 0.03 . . . . . . A 39 LEU CD2 . 34536 1 210 . 1 . 1 19 19 LEU N N 15 120.585 0.01 . . . . . . A 39 LEU N . 34536 1 211 . 1 . 1 20 20 GLN H H 1 9.158 0.00 . . . . . . A 40 GLN H . 34536 1 212 . 1 . 1 20 20 GLN HA H 1 3.852 0.00 . . . . . . A 40 GLN HA . 34536 1 213 . 1 . 1 20 20 GLN HB2 H 1 2.248 0.00 . . . . . . A 40 GLN HB2 . 34536 1 214 . 1 . 1 20 20 GLN HB3 H 1 2.094 0.00 . . . . . . A 40 GLN HB3 . 34536 1 215 . 1 . 1 20 20 GLN HG2 H 1 2.376 0.00 . . . . . . A 40 GLN HG2 . 34536 1 216 . 1 . 1 20 20 GLN HG3 H 1 2.294 0.00 . . . . . . A 40 GLN HG3 . 34536 1 217 . 1 . 1 20 20 GLN HE21 H 1 7.155 0.00 . . . . . . A 40 GLN HE21 . 34536 1 218 . 1 . 1 20 20 GLN HE22 H 1 6.725 0.00 . . . . . . A 40 GLN HE22 . 34536 1 219 . 1 . 1 20 20 GLN C C 13 177.809 0.00 . . . . . . A 40 GLN C . 34536 1 220 . 1 . 1 20 20 GLN CA C 13 60.079 0.01 . . . . . . A 40 GLN CA . 34536 1 221 . 1 . 1 20 20 GLN CB C 13 28.782 0.03 . . . . . . A 40 GLN CB . 34536 1 222 . 1 . 1 20 20 GLN CG C 13 34.550 0.01 . . . . . . A 40 GLN CG . 34536 1 223 . 1 . 1 20 20 GLN N N 15 119.762 0.01 . . . . . . A 40 GLN N . 34536 1 224 . 1 . 1 20 20 GLN NE2 N 15 107.983 0.01 . . . . . . A 40 GLN NE2 . 34536 1 225 . 1 . 1 21 21 ALA H H 1 7.494 0.00 . . . . . . A 41 ALA H . 34536 1 226 . 1 . 1 21 21 ALA HA H 1 4.130 0.00 . . . . . . A 41 ALA HA . 34536 1 227 . 1 . 1 21 21 ALA HB1 H 1 1.493 0.00 . . . . . . A 41 ALA HB1 . 34536 1 228 . 1 . 1 21 21 ALA HB2 H 1 1.493 0.00 . . . . . . A 41 ALA HB2 . 34536 1 229 . 1 . 1 21 21 ALA HB3 H 1 1.493 0.00 . . . . . . A 41 ALA HB3 . 34536 1 230 . 1 . 1 21 21 ALA C C 13 180.857 0.00 . . . . . . A 41 ALA C . 34536 1 231 . 1 . 1 21 21 ALA CA C 13 54.874 0.01 . . . . . . A 41 ALA CA . 34536 1 232 . 1 . 1 21 21 ALA CB C 13 17.799 0.01 . . . . . . A 41 ALA CB . 34536 1 233 . 1 . 1 21 21 ALA N N 15 120.248 0.00 . . . . . . A 41 ALA N . 34536 1 234 . 1 . 1 22 22 ARG H H 1 7.535 0.00 . . . . . . A 42 ARG H . 34536 1 235 . 1 . 1 22 22 ARG HA H 1 4.016 0.00 . . . . . . A 42 ARG HA . 34536 1 236 . 1 . 1 22 22 ARG HB2 H 1 1.395 0.00 . . . . . . A 42 ARG HB2 . 34536 1 237 . 1 . 1 22 22 ARG HB3 H 1 1.395 0.00 . . . . . . A 42 ARG HB3 . 34536 1 238 . 1 . 1 22 22 ARG HG2 H 1 1.663 0.00 . . . . . . A 42 ARG HG2 . 34536 1 239 . 1 . 1 22 22 ARG HG3 H 1 1.545 0.00 . . . . . . A 42 ARG HG3 . 34536 1 240 . 1 . 1 22 22 ARG HD2 H 1 2.988 0.00 . . . . . . A 42 ARG HD2 . 34536 1 241 . 1 . 1 22 22 ARG HD3 H 1 2.800 0.00 . . . . . . A 42 ARG HD3 . 34536 1 242 . 1 . 1 22 22 ARG C C 13 179.581 0.00 . . . . . . A 42 ARG C . 34536 1 243 . 1 . 1 22 22 ARG CA C 13 58.276 0.02 . . . . . . A 42 ARG CA . 34536 1 244 . 1 . 1 22 22 ARG CB C 13 29.505 0.08 . . . . . . A 42 ARG CB . 34536 1 245 . 1 . 1 22 22 ARG CG C 13 27.026 0.02 . . . . . . A 42 ARG CG . 34536 1 246 . 1 . 1 22 22 ARG CD C 13 43.095 0.03 . . . . . . A 42 ARG CD . 34536 1 247 . 1 . 1 22 22 ARG N N 15 117.253 0.00 . . . . . . A 42 ARG N . 34536 1 248 . 1 . 1 23 23 LEU H H 1 8.242 0.00 . . . . . . A 43 LEU H . 34536 1 249 . 1 . 1 23 23 LEU HA H 1 3.885 0.00 . . . . . . A 43 LEU HA . 34536 1 250 . 1 . 1 23 23 LEU HB2 H 1 1.947 0.00 . . . . . . A 43 LEU HB2 . 34536 1 251 . 1 . 1 23 23 LEU HB3 H 1 1.352 0.00 . . . . . . A 43 LEU HB3 . 34536 1 252 . 1 . 1 23 23 LEU HG H 1 1.833 0.00 . . . . . . A 43 LEU HG . 34536 1 253 . 1 . 1 23 23 LEU HD11 H 1 0.909 0.00 . . . . . . A 43 LEU HD11 . 34536 1 254 . 1 . 1 23 23 LEU HD12 H 1 0.909 0.00 . . . . . . A 43 LEU HD12 . 34536 1 255 . 1 . 1 23 23 LEU HD13 H 1 0.909 0.00 . . . . . . A 43 LEU HD13 . 34536 1 256 . 1 . 1 23 23 LEU HD21 H 1 0.736 0.00 . . . . . . A 43 LEU HD21 . 34536 1 257 . 1 . 1 23 23 LEU HD22 H 1 0.736 0.00 . . . . . . A 43 LEU HD22 . 34536 1 258 . 1 . 1 23 23 LEU HD23 H 1 0.736 0.00 . . . . . . A 43 LEU HD23 . 34536 1 259 . 1 . 1 23 23 LEU C C 13 178.217 0.00 . . . . . . A 43 LEU C . 34536 1 260 . 1 . 1 23 23 LEU CA C 13 57.723 0.03 . . . . . . A 43 LEU CA . 34536 1 261 . 1 . 1 23 23 LEU CB C 13 42.220 0.02 . . . . . . A 43 LEU CB . 34536 1 262 . 1 . 1 23 23 LEU CG C 13 26.960 0.06 . . . . . . A 43 LEU CG . 34536 1 263 . 1 . 1 23 23 LEU CD1 C 13 25.357 0.01 . . . . . . A 43 LEU CD1 . 34536 1 264 . 1 . 1 23 23 LEU CD2 C 13 25.947 0.02 . . . . . . A 43 LEU CD2 . 34536 1 265 . 1 . 1 23 23 LEU N N 15 119.305 0.01 . . . . . . A 43 LEU N . 34536 1 266 . 1 . 1 24 24 ALA H H 1 7.680 0.00 . . . . . . A 44 ALA H . 34536 1 267 . 1 . 1 24 24 ALA HA H 1 4.232 0.00 . . . . . . A 44 ALA HA . 34536 1 268 . 1 . 1 24 24 ALA HB1 H 1 1.467 0.00 . . . . . . A 44 ALA HB1 . 34536 1 269 . 1 . 1 24 24 ALA HB2 H 1 1.467 0.00 . . . . . . A 44 ALA HB2 . 34536 1 270 . 1 . 1 24 24 ALA HB3 H 1 1.467 0.00 . . . . . . A 44 ALA HB3 . 34536 1 271 . 1 . 1 24 24 ALA C C 13 177.651 0.00 . . . . . . A 44 ALA C . 34536 1 272 . 1 . 1 24 24 ALA CA C 13 53.276 0.01 . . . . . . A 44 ALA CA . 34536 1 273 . 1 . 1 24 24 ALA CB C 13 18.553 0.03 . . . . . . A 44 ALA CB . 34536 1 274 . 1 . 1 24 24 ALA N N 15 118.956 0.01 . . . . . . A 44 ALA N . 34536 1 275 . 1 . 1 25 25 ALA H H 1 7.185 0.00 . . . . . . A 45 ALA H . 34536 1 276 . 1 . 1 25 25 ALA HA H 1 4.491 0.00 . . . . . . A 45 ALA HA . 34536 1 277 . 1 . 1 25 25 ALA HB1 H 1 1.443 0.00 . . . . . . A 45 ALA HB1 . 34536 1 278 . 1 . 1 25 25 ALA HB2 H 1 1.443 0.00 . . . . . . A 45 ALA HB2 . 34536 1 279 . 1 . 1 25 25 ALA HB3 H 1 1.443 0.00 . . . . . . A 45 ALA HB3 . 34536 1 280 . 1 . 1 25 25 ALA C C 13 176.548 0.00 . . . . . . A 45 ALA C . 34536 1 281 . 1 . 1 25 25 ALA CA C 13 51.955 0.01 . . . . . . A 45 ALA CA . 34536 1 282 . 1 . 1 25 25 ALA CB C 13 18.721 0.01 . . . . . . A 45 ALA CB . 34536 1 283 . 1 . 1 25 25 ALA N N 15 119.753 0.01 . . . . . . A 45 ALA N . 34536 1 284 . 1 . 1 26 26 ASN H H 1 8.011 0.00 . . . . . . A 46 ASN H . 34536 1 285 . 1 . 1 26 26 ASN HA H 1 4.710 0.00 . . . . . . A 46 ASN HA . 34536 1 286 . 1 . 1 26 26 ASN HB2 H 1 3.040 0.00 . . . . . . A 46 ASN HB2 . 34536 1 287 . 1 . 1 26 26 ASN HB3 H 1 2.834 0.00 . . . . . . A 46 ASN HB3 . 34536 1 288 . 1 . 1 26 26 ASN HD21 H 1 7.702 0.00 . . . . . . A 46 ASN HD21 . 34536 1 289 . 1 . 1 26 26 ASN HD22 H 1 6.907 0.00 . . . . . . A 46 ASN HD22 . 34536 1 290 . 1 . 1 26 26 ASN C C 13 180.586 0.00 . . . . . . A 46 ASN C . 34536 1 291 . 1 . 1 26 26 ASN CA C 13 53.401 0.06 . . . . . . A 46 ASN CA . 34536 1 292 . 1 . 1 26 26 ASN CB C 13 38.535 0.03 . . . . . . A 46 ASN CB . 34536 1 293 . 1 . 1 26 26 ASN N N 15 115.766 0.00 . . . . . . A 46 ASN N . 34536 1 294 . 1 . 1 26 26 ASN ND2 N 15 113.043 0.00 . . . . . . A 46 ASN ND2 . 34536 1 295 . 1 . 1 27 27 PRO HA H 1 4.691 0.00 . . . . . . A 47 PRO HA . 34536 1 296 . 1 . 1 27 27 PRO HB2 H 1 2.373 0.00 . . . . . . A 47 PRO HB2 . 34536 1 297 . 1 . 1 27 27 PRO HB3 H 1 2.096 0.00 . . . . . . A 47 PRO HB3 . 34536 1 298 . 1 . 1 27 27 PRO HG2 H 1 2.071 0.00 . . . . . . A 47 PRO HG2 . 34536 1 299 . 1 . 1 27 27 PRO HG3 H 1 1.914 0.00 . . . . . . A 47 PRO HG3 . 34536 1 300 . 1 . 1 27 27 PRO HD2 H 1 3.827 0.00 . . . . . . A 47 PRO HD2 . 34536 1 301 . 1 . 1 27 27 PRO HD3 H 1 3.740 0.01 . . . . . . A 47 PRO HD3 . 34536 1 302 . 1 . 1 27 27 PRO C C 13 175.556 0.00 . . . . . . A 47 PRO C . 34536 1 303 . 1 . 1 27 27 PRO CA C 13 62.873 0.03 . . . . . . A 47 PRO CA . 34536 1 304 . 1 . 1 27 27 PRO CB C 13 32.228 0.03 . . . . . . A 47 PRO CB . 34536 1 305 . 1 . 1 27 27 PRO CG C 13 27.271 0.04 . . . . . . A 47 PRO CG . 34536 1 306 . 1 . 1 27 27 PRO CD C 13 50.622 0.04 . . . . . . A 47 PRO CD . 34536 1 307 . 1 . 1 28 28 ASP H H 1 8.071 0.00 . . . . . . A 48 ASP H . 34536 1 308 . 1 . 1 28 28 ASP HA H 1 4.753 0.00 . . . . . . A 48 ASP HA . 34536 1 309 . 1 . 1 28 28 ASP HB2 H 1 2.895 0.00 . . . . . . A 48 ASP HB2 . 34536 1 310 . 1 . 1 28 28 ASP HB3 H 1 2.696 0.00 . . . . . . A 48 ASP HB3 . 34536 1 311 . 1 . 1 28 28 ASP C C 13 174.729 0.00 . . . . . . A 48 ASP C . 34536 1 312 . 1 . 1 28 28 ASP CA C 13 52.619 0.03 . . . . . . A 48 ASP CA . 34536 1 313 . 1 . 1 28 28 ASP CB C 13 41.240 0.02 . . . . . . A 48 ASP CB . 34536 1 314 . 1 . 1 28 28 ASP N N 15 119.770 0.01 . . . . . . A 48 ASP N . 34536 1 315 . 1 . 1 29 29 PRO HA H 1 4.111 0.00 . . . . . . A 49 PRO HA . 34536 1 316 . 1 . 1 29 29 PRO HB2 H 1 2.183 0.00 . . . . . . A 49 PRO HB2 . 34536 1 317 . 1 . 1 29 29 PRO HB3 H 1 1.864 0.00 . . . . . . A 49 PRO HB3 . 34536 1 318 . 1 . 1 29 29 PRO HG2 H 1 2.036 0.00 . . . . . . A 49 PRO HG2 . 34536 1 319 . 1 . 1 29 29 PRO HG3 H 1 2.036 0.00 . . . . . . A 49 PRO HG3 . 34536 1 320 . 1 . 1 29 29 PRO HD2 H 1 4.063 0.00 . . . . . . A 49 PRO HD2 . 34536 1 321 . 1 . 1 29 29 PRO HD3 H 1 3.868 0.01 . . . . . . A 49 PRO HD3 . 34536 1 322 . 1 . 1 29 29 PRO C C 13 178.181 0.00 . . . . . . A 49 PRO C . 34536 1 323 . 1 . 1 29 29 PRO CA C 13 65.864 0.03 . . . . . . A 49 PRO CA . 34536 1 324 . 1 . 1 29 29 PRO CB C 13 32.470 0.00 . . . . . . A 49 PRO CB . 34536 1 325 . 1 . 1 29 29 PRO CG C 13 27.854 0.03 . . . . . . A 49 PRO CG . 34536 1 326 . 1 . 1 29 29 PRO CD C 13 50.785 0.01 . . . . . . A 49 PRO CD . 34536 1 327 . 1 . 1 30 30 LYS H H 1 8.240 0.00 . . . . . . A 50 LYS H . 34536 1 328 . 1 . 1 30 30 LYS HA H 1 3.971 0.00 . . . . . . A 50 LYS HA . 34536 1 329 . 1 . 1 30 30 LYS HB2 H 1 1.870 0.00 . . . . . . A 50 LYS HB2 . 34536 1 330 . 1 . 1 30 30 LYS HB3 H 1 1.750 0.00 . . . . . . A 50 LYS HB3 . 34536 1 331 . 1 . 1 30 30 LYS HG2 H 1 1.492 0.00 . . . . . . A 50 LYS HG2 . 34536 1 332 . 1 . 1 30 30 LYS HG3 H 1 1.367 0.00 . . . . . . A 50 LYS HG3 . 34536 1 333 . 1 . 1 30 30 LYS HD2 H 1 1.678 0.00 . . . . . . A 50 LYS HD2 . 34536 1 334 . 1 . 1 30 30 LYS HD3 H 1 1.678 0.00 . . . . . . A 50 LYS HD3 . 34536 1 335 . 1 . 1 30 30 LYS HE2 H 1 3.047 0.00 . . . . . . A 50 LYS HE2 . 34536 1 336 . 1 . 1 30 30 LYS HE3 H 1 3.047 0.00 . . . . . . A 50 LYS HE3 . 34536 1 337 . 1 . 1 30 30 LYS C C 13 179.967 0.00 . . . . . . A 50 LYS C . 34536 1 338 . 1 . 1 30 30 LYS CA C 13 59.506 0.03 . . . . . . A 50 LYS CA . 34536 1 339 . 1 . 1 30 30 LYS CB C 13 31.837 0.06 . . . . . . A 50 LYS CB . 34536 1 340 . 1 . 1 30 30 LYS CG C 13 25.448 0.03 . . . . . . A 50 LYS CG . 34536 1 341 . 1 . 1 30 30 LYS CD C 13 29.166 0.07 . . . . . . A 50 LYS CD . 34536 1 342 . 1 . 1 30 30 LYS CE C 13 42.138 0.11 . . . . . . A 50 LYS CE . 34536 1 343 . 1 . 1 30 30 LYS N N 15 117.094 0.00 . . . . . . A 50 LYS N . 34536 1 344 . 1 . 1 31 31 LYS H H 1 7.605 0.00 . . . . . . A 51 LYS H . 34536 1 345 . 1 . 1 31 31 LYS HA H 1 3.657 0.00 . . . . . . A 51 LYS HA . 34536 1 346 . 1 . 1 31 31 LYS HB2 H 1 1.784 0.00 . . . . . . A 51 LYS HB2 . 34536 1 347 . 1 . 1 31 31 LYS HB3 H 1 1.514 0.00 . . . . . . A 51 LYS HB3 . 34536 1 348 . 1 . 1 31 31 LYS HG2 H 1 1.517 0.00 . . . . . . A 51 LYS HG2 . 34536 1 349 . 1 . 1 31 31 LYS HG3 H 1 1.258 0.00 . . . . . . A 51 LYS HG3 . 34536 1 350 . 1 . 1 31 31 LYS HD2 H 1 1.647 0.00 . . . . . . A 51 LYS HD2 . 34536 1 351 . 1 . 1 31 31 LYS HD3 H 1 1.647 0.00 . . . . . . A 51 LYS HD3 . 34536 1 352 . 1 . 1 31 31 LYS HE2 H 1 3.052 0.00 . . . . . . A 51 LYS HE2 . 34536 1 353 . 1 . 1 31 31 LYS HE3 H 1 3.021 0.00 . . . . . . A 51 LYS HE3 . 34536 1 354 . 1 . 1 31 31 LYS C C 13 176.881 0.00 . . . . . . A 51 LYS C . 34536 1 355 . 1 . 1 31 31 LYS CA C 13 58.508 0.02 . . . . . . A 51 LYS CA . 34536 1 356 . 1 . 1 31 31 LYS CB C 13 32.309 0.03 . . . . . . A 51 LYS CB . 34536 1 357 . 1 . 1 31 31 LYS CG C 13 25.962 0.01 . . . . . . A 51 LYS CG . 34536 1 358 . 1 . 1 31 31 LYS CD C 13 29.138 0.01 . . . . . . A 51 LYS CD . 34536 1 359 . 1 . 1 31 31 LYS CE C 13 42.290 0.01 . . . . . . A 51 LYS CE . 34536 1 360 . 1 . 1 31 31 LYS N N 15 120.680 0.01 . . . . . . A 51 LYS N . 34536 1 361 . 1 . 1 32 32 LEU H H 1 8.191 0.00 . . . . . . A 52 LEU H . 34536 1 362 . 1 . 1 32 32 LEU HA H 1 3.799 0.00 . . . . . . A 52 LEU HA . 34536 1 363 . 1 . 1 32 32 LEU HB2 H 1 1.703 0.00 . . . . . . A 52 LEU HB2 . 34536 1 364 . 1 . 1 32 32 LEU HB3 H 1 1.357 0.00 . . . . . . A 52 LEU HB3 . 34536 1 365 . 1 . 1 32 32 LEU HG H 1 1.553 0.00 . . . . . . A 52 LEU HG . 34536 1 366 . 1 . 1 32 32 LEU HD11 H 1 0.836 0.00 . . . . . . A 52 LEU HD11 . 34536 1 367 . 1 . 1 32 32 LEU HD12 H 1 0.836 0.00 . . . . . . A 52 LEU HD12 . 34536 1 368 . 1 . 1 32 32 LEU HD13 H 1 0.836 0.00 . . . . . . A 52 LEU HD13 . 34536 1 369 . 1 . 1 32 32 LEU HD21 H 1 0.788 0.00 . . . . . . A 52 LEU HD21 . 34536 1 370 . 1 . 1 32 32 LEU HD22 H 1 0.788 0.00 . . . . . . A 52 LEU HD22 . 34536 1 371 . 1 . 1 32 32 LEU HD23 H 1 0.788 0.00 . . . . . . A 52 LEU HD23 . 34536 1 372 . 1 . 1 32 32 LEU C C 13 178.520 0.01 . . . . . . A 52 LEU C . 34536 1 373 . 1 . 1 32 32 LEU CA C 13 58.476 0.01 . . . . . . A 52 LEU CA . 34536 1 374 . 1 . 1 32 32 LEU CB C 13 43.141 0.03 . . . . . . A 52 LEU CB . 34536 1 375 . 1 . 1 32 32 LEU CG C 13 27.014 0.00 . . . . . . A 52 LEU CG . 34536 1 376 . 1 . 1 32 32 LEU CD1 C 13 25.475 0.00 . . . . . . A 52 LEU CD1 . 34536 1 377 . 1 . 1 32 32 LEU CD2 C 13 25.014 0.00 . . . . . . A 52 LEU CD2 . 34536 1 378 . 1 . 1 32 32 LEU N N 15 117.327 0.02 . . . . . . A 52 LEU N . 34536 1 379 . 1 . 1 33 33 LEU H H 1 7.724 0.00 . . . . . . A 53 LEU H . 34536 1 380 . 1 . 1 33 33 LEU HA H 1 3.780 0.00 . . . . . . A 53 LEU HA . 34536 1 381 . 1 . 1 33 33 LEU HB2 H 1 1.708 0.00 . . . . . . A 53 LEU HB2 . 34536 1 382 . 1 . 1 33 33 LEU HB3 H 1 1.378 0.00 . . . . . . A 53 LEU HB3 . 34536 1 383 . 1 . 1 33 33 LEU HG H 1 1.349 0.00 . . . . . . A 53 LEU HG . 34536 1 384 . 1 . 1 33 33 LEU HD11 H 1 0.783 0.00 . . . . . . A 53 LEU HD11 . 34536 1 385 . 1 . 1 33 33 LEU HD12 H 1 0.783 0.00 . . . . . . A 53 LEU HD12 . 34536 1 386 . 1 . 1 33 33 LEU HD13 H 1 0.783 0.00 . . . . . . A 53 LEU HD13 . 34536 1 387 . 1 . 1 33 33 LEU HD21 H 1 0.561 0.00 . . . . . . A 53 LEU HD21 . 34536 1 388 . 1 . 1 33 33 LEU HD22 H 1 0.561 0.00 . . . . . . A 53 LEU HD22 . 34536 1 389 . 1 . 1 33 33 LEU HD23 H 1 0.561 0.00 . . . . . . A 53 LEU HD23 . 34536 1 390 . 1 . 1 33 33 LEU C C 13 177.845 0.00 . . . . . . A 53 LEU C . 34536 1 391 . 1 . 1 33 33 LEU CA C 13 57.923 0.04 . . . . . . A 53 LEU CA . 34536 1 392 . 1 . 1 33 33 LEU CB C 13 41.210 0.02 . . . . . . A 53 LEU CB . 34536 1 393 . 1 . 1 33 33 LEU CG C 13 26.756 0.02 . . . . . . A 53 LEU CG . 34536 1 394 . 1 . 1 33 33 LEU CD1 C 13 25.180 0.06 . . . . . . A 53 LEU CD1 . 34536 1 395 . 1 . 1 33 33 LEU CD2 C 13 22.724 0.01 . . . . . . A 53 LEU CD2 . 34536 1 396 . 1 . 1 33 33 LEU N N 15 116.588 0.01 . . . . . . A 53 LEU N . 34536 1 397 . 1 . 1 34 34 LYS H H 1 7.139 0.00 . . . . . . A 54 LYS H . 34536 1 398 . 1 . 1 34 34 LYS HA H 1 3.796 0.00 . . . . . . A 54 LYS HA . 34536 1 399 . 1 . 1 34 34 LYS HB2 H 1 1.728 0.00 . . . . . . A 54 LYS HB2 . 34536 1 400 . 1 . 1 34 34 LYS HB3 H 1 1.704 0.00 . . . . . . A 54 LYS HB3 . 34536 1 401 . 1 . 1 34 34 LYS HG2 H 1 1.472 0.00 . . . . . . A 54 LYS HG2 . 34536 1 402 . 1 . 1 34 34 LYS HG3 H 1 1.210 0.00 . . . . . . A 54 LYS HG3 . 34536 1 403 . 1 . 1 34 34 LYS HD2 H 1 1.574 0.00 . . . . . . A 54 LYS HD2 . 34536 1 404 . 1 . 1 34 34 LYS HD3 H 1 1.555 0.00 . . . . . . A 54 LYS HD3 . 34536 1 405 . 1 . 1 34 34 LYS HE2 H 1 2.933 0.00 . . . . . . A 54 LYS HE2 . 34536 1 406 . 1 . 1 34 34 LYS HE3 H 1 2.933 0.00 . . . . . . A 54 LYS HE3 . 34536 1 407 . 1 . 1 34 34 LYS C C 13 180.194 0.00 . . . . . . A 54 LYS C . 34536 1 408 . 1 . 1 34 34 LYS CA C 13 59.883 0.02 . . . . . . A 54 LYS CA . 34536 1 409 . 1 . 1 34 34 LYS CB C 13 31.860 0.02 . . . . . . A 54 LYS CB . 34536 1 410 . 1 . 1 34 34 LYS CG C 13 25.062 0.04 . . . . . . A 54 LYS CG . 34536 1 411 . 1 . 1 34 34 LYS CD C 13 29.620 0.02 . . . . . . A 54 LYS CD . 34536 1 412 . 1 . 1 34 34 LYS CE C 13 42.120 0.00 . . . . . . A 54 LYS CE . 34536 1 413 . 1 . 1 34 34 LYS N N 15 118.807 0.01 . . . . . . A 54 LYS N . 34536 1 414 . 1 . 1 35 35 TYR H H 1 8.114 0.00 . . . . . . A 55 TYR H . 34536 1 415 . 1 . 1 35 35 TYR HA H 1 4.543 0.00 . . . . . . A 55 TYR HA . 34536 1 416 . 1 . 1 35 35 TYR HB2 H 1 3.136 0.00 . . . . . . A 55 TYR HB2 . 34536 1 417 . 1 . 1 35 35 TYR HB3 H 1 3.021 0.00 . . . . . . A 55 TYR HB3 . 34536 1 418 . 1 . 1 35 35 TYR HD1 H 1 6.866 0.00 . . . . . . A 55 TYR HD1 . 34536 1 419 . 1 . 1 35 35 TYR HD2 H 1 6.866 0.00 . . . . . . A 55 TYR HD2 . 34536 1 420 . 1 . 1 35 35 TYR HE1 H 1 6.716 0.00 . . . . . . A 55 TYR HE1 . 34536 1 421 . 1 . 1 35 35 TYR HE2 H 1 6.716 0.00 . . . . . . A 55 TYR HE2 . 34536 1 422 . 1 . 1 35 35 TYR C C 13 178.551 0.00 . . . . . . A 55 TYR C . 34536 1 423 . 1 . 1 35 35 TYR CA C 13 58.655 0.01 . . . . . . A 55 TYR CA . 34536 1 424 . 1 . 1 35 35 TYR CB C 13 36.984 0.02 . . . . . . A 55 TYR CB . 34536 1 425 . 1 . 1 35 35 TYR CD1 C 13 131.915 0.00 . . . . . . A 55 TYR CD1 . 34536 1 426 . 1 . 1 35 35 TYR CE1 C 13 117.912 0.00 . . . . . . A 55 TYR CE1 . 34536 1 427 . 1 . 1 35 35 TYR N N 15 119.366 0.01 . . . . . . A 55 TYR N . 34536 1 428 . 1 . 1 36 36 LEU H H 1 8.370 0.00 . . . . . . A 56 LEU H . 34536 1 429 . 1 . 1 36 36 LEU HA H 1 4.043 0.00 . . . . . . A 56 LEU HA . 34536 1 430 . 1 . 1 36 36 LEU HB2 H 1 1.897 0.00 . . . . . . A 56 LEU HB2 . 34536 1 431 . 1 . 1 36 36 LEU HB3 H 1 1.399 0.00 . . . . . . A 56 LEU HB3 . 34536 1 432 . 1 . 1 36 36 LEU HG H 1 1.992 0.00 . . . . . . A 56 LEU HG . 34536 1 433 . 1 . 1 36 36 LEU HD11 H 1 0.857 0.00 . . . . . . A 56 LEU HD11 . 34536 1 434 . 1 . 1 36 36 LEU HD12 H 1 0.857 0.00 . . . . . . A 56 LEU HD12 . 34536 1 435 . 1 . 1 36 36 LEU HD13 H 1 0.857 0.00 . . . . . . A 56 LEU HD13 . 34536 1 436 . 1 . 1 36 36 LEU HD21 H 1 0.837 0.00 . . . . . . A 56 LEU HD21 . 34536 1 437 . 1 . 1 36 36 LEU HD22 H 1 0.837 0.00 . . . . . . A 56 LEU HD22 . 34536 1 438 . 1 . 1 36 36 LEU HD23 H 1 0.837 0.00 . . . . . . A 56 LEU HD23 . 34536 1 439 . 1 . 1 36 36 LEU C C 13 179.206 0.00 . . . . . . A 56 LEU C . 34536 1 440 . 1 . 1 36 36 LEU CA C 13 58.296 0.04 . . . . . . A 56 LEU CA . 34536 1 441 . 1 . 1 36 36 LEU CB C 13 41.747 0.02 . . . . . . A 56 LEU CB . 34536 1 442 . 1 . 1 36 36 LEU CG C 13 26.715 0.00 . . . . . . A 56 LEU CG . 34536 1 443 . 1 . 1 36 36 LEU CD1 C 13 26.327 0.00 . . . . . . A 56 LEU CD1 . 34536 1 444 . 1 . 1 36 36 LEU CD2 C 13 24.368 0.01 . . . . . . A 56 LEU CD2 . 34536 1 445 . 1 . 1 36 36 LEU N N 15 119.347 0.01 . . . . . . A 56 LEU N . 34536 1 446 . 1 . 1 37 37 LYS H H 1 8.710 0.00 . . . . . . A 57 LYS H . 34536 1 447 . 1 . 1 37 37 LYS HA H 1 4.011 0.00 . . . . . . A 57 LYS HA . 34536 1 448 . 1 . 1 37 37 LYS HB2 H 1 1.811 0.00 . . . . . . A 57 LYS HB2 . 34536 1 449 . 1 . 1 37 37 LYS HB3 H 1 1.811 0.00 . . . . . . A 57 LYS HB3 . 34536 1 450 . 1 . 1 37 37 LYS HG2 H 1 1.226 0.00 . . . . . . A 57 LYS HG2 . 34536 1 451 . 1 . 1 37 37 LYS HG3 H 1 1.127 0.00 . . . . . . A 57 LYS HG3 . 34536 1 452 . 1 . 1 37 37 LYS HD2 H 1 1.485 0.00 . . . . . . A 57 LYS HD2 . 34536 1 453 . 1 . 1 37 37 LYS HD3 H 1 1.485 0.00 . . . . . . A 57 LYS HD3 . 34536 1 454 . 1 . 1 37 37 LYS HE2 H 1 2.644 0.00 . . . . . . A 57 LYS HE2 . 34536 1 455 . 1 . 1 37 37 LYS HE3 H 1 2.644 0.00 . . . . . . A 57 LYS HE3 . 34536 1 456 . 1 . 1 37 37 LYS C C 13 180.720 0.00 . . . . . . A 57 LYS C . 34536 1 457 . 1 . 1 37 37 LYS CA C 13 59.649 0.01 . . . . . . A 57 LYS CA . 34536 1 458 . 1 . 1 37 37 LYS CB C 13 31.656 0.05 . . . . . . A 57 LYS CB . 34536 1 459 . 1 . 1 37 37 LYS CG C 13 25.989 0.01 . . . . . . A 57 LYS CG . 34536 1 460 . 1 . 1 37 37 LYS CD C 13 29.353 0.01 . . . . . . A 57 LYS CD . 34536 1 461 . 1 . 1 37 37 LYS CE C 13 41.975 0.00 . . . . . . A 57 LYS CE . 34536 1 462 . 1 . 1 37 37 LYS N N 15 119.562 0.01 . . . . . . A 57 LYS N . 34536 1 463 . 1 . 1 38 38 LYS H H 1 8.053 0.00 . . . . . . A 58 LYS H . 34536 1 464 . 1 . 1 38 38 LYS HA H 1 4.232 0.00 . . . . . . A 58 LYS HA . 34536 1 465 . 1 . 1 38 38 LYS HB2 H 1 2.153 0.00 . . . . . . A 58 LYS HB2 . 34536 1 466 . 1 . 1 38 38 LYS HB3 H 1 2.051 0.00 . . . . . . A 58 LYS HB3 . 34536 1 467 . 1 . 1 38 38 LYS HG2 H 1 1.611 0.00 . . . . . . A 58 LYS HG2 . 34536 1 468 . 1 . 1 38 38 LYS HG3 H 1 1.398 0.00 . . . . . . A 58 LYS HG3 . 34536 1 469 . 1 . 1 38 38 LYS HD2 H 1 1.816 0.00 . . . . . . A 58 LYS HD2 . 34536 1 470 . 1 . 1 38 38 LYS HD3 H 1 1.748 0.00 . . . . . . A 58 LYS HD3 . 34536 1 471 . 1 . 1 38 38 LYS HE2 H 1 3.008 0.00 . . . . . . A 58 LYS HE2 . 34536 1 472 . 1 . 1 38 38 LYS HE3 H 1 2.909 0.00 . . . . . . A 58 LYS HE3 . 34536 1 473 . 1 . 1 38 38 LYS C C 13 180.180 0.00 . . . . . . A 58 LYS C . 34536 1 474 . 1 . 1 38 38 LYS CA C 13 59.099 0.03 . . . . . . A 58 LYS CA . 34536 1 475 . 1 . 1 38 38 LYS CB C 13 31.324 0.06 . . . . . . A 58 LYS CB . 34536 1 476 . 1 . 1 38 38 LYS CG C 13 25.214 0.01 . . . . . . A 58 LYS CG . 34536 1 477 . 1 . 1 38 38 LYS CD C 13 28.784 0.04 . . . . . . A 58 LYS CD . 34536 1 478 . 1 . 1 38 38 LYS CE C 13 42.300 0.00 . . . . . . A 58 LYS CE . 34536 1 479 . 1 . 1 38 38 LYS N N 15 121.357 0.01 . . . . . . A 58 LYS N . 34536 1 480 . 1 . 1 39 39 LEU H H 1 8.337 0.00 . . . . . . A 59 LEU H . 34536 1 481 . 1 . 1 39 39 LEU HA H 1 4.103 0.00 . . . . . . A 59 LEU HA . 34536 1 482 . 1 . 1 39 39 LEU HB2 H 1 2.384 0.00 . . . . . . A 59 LEU HB2 . 34536 1 483 . 1 . 1 39 39 LEU HB3 H 1 1.778 0.00 . . . . . . A 59 LEU HB3 . 34536 1 484 . 1 . 1 39 39 LEU HG H 1 2.063 0.00 . . . . . . A 59 LEU HG . 34536 1 485 . 1 . 1 39 39 LEU HD11 H 1 0.956 0.00 . . . . . . A 59 LEU HD11 . 34536 1 486 . 1 . 1 39 39 LEU HD12 H 1 0.956 0.00 . . . . . . A 59 LEU HD12 . 34536 1 487 . 1 . 1 39 39 LEU HD13 H 1 0.956 0.00 . . . . . . A 59 LEU HD13 . 34536 1 488 . 1 . 1 39 39 LEU HD21 H 1 1.055 0.00 . . . . . . A 59 LEU HD21 . 34536 1 489 . 1 . 1 39 39 LEU HD22 H 1 1.055 0.00 . . . . . . A 59 LEU HD22 . 34536 1 490 . 1 . 1 39 39 LEU HD23 H 1 1.055 0.00 . . . . . . A 59 LEU HD23 . 34536 1 491 . 1 . 1 39 39 LEU C C 13 178.859 0.00 . . . . . . A 59 LEU C . 34536 1 492 . 1 . 1 39 39 LEU CA C 13 58.568 0.04 . . . . . . A 59 LEU CA . 34536 1 493 . 1 . 1 39 39 LEU CB C 13 42.604 0.01 . . . . . . A 59 LEU CB . 34536 1 494 . 1 . 1 39 39 LEU CG C 13 27.265 0.00 . . . . . . A 59 LEU CG . 34536 1 495 . 1 . 1 39 39 LEU CD1 C 13 26.181 0.02 . . . . . . A 59 LEU CD1 . 34536 1 496 . 1 . 1 39 39 LEU CD2 C 13 25.645 0.02 . . . . . . A 59 LEU CD2 . 34536 1 497 . 1 . 1 39 39 LEU N N 15 119.960 0.01 . . . . . . A 59 LEU N . 34536 1 498 . 1 . 1 40 40 SER H H 1 8.144 0.00 . . . . . . A 60 SER H . 34536 1 499 . 1 . 1 40 40 SER HA H 1 4.377 0.00 . . . . . . A 60 SER HA . 34536 1 500 . 1 . 1 40 40 SER HB2 H 1 4.219 0.00 . . . . . . A 60 SER HB2 . 34536 1 501 . 1 . 1 40 40 SER HB3 H 1 4.194 0.00 . . . . . . A 60 SER HB3 . 34536 1 502 . 1 . 1 40 40 SER C C 13 174.684 0.00 . . . . . . A 60 SER C . 34536 1 503 . 1 . 1 40 40 SER CA C 13 61.150 0.03 . . . . . . A 60 SER CA . 34536 1 504 . 1 . 1 40 40 SER CB C 13 63.977 0.01 . . . . . . A 60 SER CB . 34536 1 505 . 1 . 1 40 40 SER N N 15 112.632 0.00 . . . . . . A 60 SER N . 34536 1 506 . 1 . 1 41 41 THR H H 1 7.669 0.00 . . . . . . A 61 THR H . 34536 1 507 . 1 . 1 41 41 THR HA H 1 4.646 0.00 . . . . . . A 61 THR HA . 34536 1 508 . 1 . 1 41 41 THR HB H 1 4.537 0.00 . . . . . . A 61 THR HB . 34536 1 509 . 1 . 1 41 41 THR HG21 H 1 1.391 0.00 . . . . . . A 61 THR HG21 . 34536 1 510 . 1 . 1 41 41 THR HG22 H 1 1.391 0.00 . . . . . . A 61 THR HG22 . 34536 1 511 . 1 . 1 41 41 THR HG23 H 1 1.391 0.00 . . . . . . A 61 THR HG23 . 34536 1 512 . 1 . 1 41 41 THR C C 13 175.068 0.00 . . . . . . A 61 THR C . 34536 1 513 . 1 . 1 41 41 THR CA C 13 61.954 0.05 . . . . . . A 61 THR CA . 34536 1 514 . 1 . 1 41 41 THR CB C 13 70.519 0.01 . . . . . . A 61 THR CB . 34536 1 515 . 1 . 1 41 41 THR CG2 C 13 21.670 0.04 . . . . . . A 61 THR CG2 . 34536 1 516 . 1 . 1 41 41 THR N N 15 110.319 0.00 . . . . . . A 61 THR N . 34536 1 517 . 1 . 1 42 42 LEU H H 1 7.326 0.00 . . . . . . A 62 LEU H . 34536 1 518 . 1 . 1 42 42 LEU HA H 1 4.671 0.00 . . . . . . A 62 LEU HA . 34536 1 519 . 1 . 1 42 42 LEU HB2 H 1 1.968 0.00 . . . . . . A 62 LEU HB2 . 34536 1 520 . 1 . 1 42 42 LEU HB3 H 1 1.187 0.00 . . . . . . A 62 LEU HB3 . 34536 1 521 . 1 . 1 42 42 LEU HG H 1 2.136 0.00 . . . . . . A 62 LEU HG . 34536 1 522 . 1 . 1 42 42 LEU HD11 H 1 0.946 0.00 . . . . . . A 62 LEU HD11 . 34536 1 523 . 1 . 1 42 42 LEU HD12 H 1 0.946 0.00 . . . . . . A 62 LEU HD12 . 34536 1 524 . 1 . 1 42 42 LEU HD13 H 1 0.946 0.00 . . . . . . A 62 LEU HD13 . 34536 1 525 . 1 . 1 42 42 LEU HD21 H 1 0.956 0.00 . . . . . . A 62 LEU HD21 . 34536 1 526 . 1 . 1 42 42 LEU HD22 H 1 0.956 0.00 . . . . . . A 62 LEU HD22 . 34536 1 527 . 1 . 1 42 42 LEU HD23 H 1 0.956 0.00 . . . . . . A 62 LEU HD23 . 34536 1 528 . 1 . 1 42 42 LEU C C 13 176.091 0.00 . . . . . . A 62 LEU C . 34536 1 529 . 1 . 1 42 42 LEU CA C 13 53.145 0.01 . . . . . . A 62 LEU CA . 34536 1 530 . 1 . 1 42 42 LEU CB C 13 43.069 0.03 . . . . . . A 62 LEU CB . 34536 1 531 . 1 . 1 42 42 LEU CG C 13 26.302 0.00 . . . . . . A 62 LEU CG . 34536 1 532 . 1 . 1 42 42 LEU CD1 C 13 27.399 0.03 . . . . . . A 62 LEU CD1 . 34536 1 533 . 1 . 1 42 42 LEU CD2 C 13 22.910 0.00 . . . . . . A 62 LEU CD2 . 34536 1 534 . 1 . 1 42 42 LEU N N 15 123.391 0.02 . . . . . . A 62 LEU N . 34536 1 535 . 1 . 1 43 43 PRO HA H 1 4.870 0.00 . . . . . . A 63 PRO HA . 34536 1 536 . 1 . 1 43 43 PRO HB2 H 1 2.216 0.01 . . . . . . A 63 PRO HB2 . 34536 1 537 . 1 . 1 43 43 PRO HB3 H 1 2.024 0.01 . . . . . . A 63 PRO HB3 . 34536 1 538 . 1 . 1 43 43 PRO HG2 H 1 2.247 0.00 . . . . . . A 63 PRO HG2 . 34536 1 539 . 1 . 1 43 43 PRO HG3 H 1 1.966 0.00 . . . . . . A 63 PRO HG3 . 34536 1 540 . 1 . 1 43 43 PRO HD2 H 1 3.864 0.01 . . . . . . A 63 PRO HD2 . 34536 1 541 . 1 . 1 43 43 PRO HD3 H 1 3.534 0.00 . . . . . . A 63 PRO HD3 . 34536 1 542 . 1 . 1 43 43 PRO C C 13 174.520 0.00 . . . . . . A 63 PRO C . 34536 1 543 . 1 . 1 43 43 PRO CA C 13 61.915 0.02 . . . . . . A 63 PRO CA . 34536 1 544 . 1 . 1 43 43 PRO CB C 13 27.944 0.03 . . . . . . A 63 PRO CB . 34536 1 545 . 1 . 1 43 43 PRO CG C 13 27.989 0.02 . . . . . . A 63 PRO CG . 34536 1 546 . 1 . 1 43 43 PRO CD C 13 50.046 0.03 . . . . . . A 63 PRO CD . 34536 1 547 . 1 . 1 44 44 ILE H H 1 7.987 0.00 . . . . . . A 64 ILE H . 34536 1 548 . 1 . 1 44 44 ILE HA H 1 3.625 0.00 . . . . . . A 64 ILE HA . 34536 1 549 . 1 . 1 44 44 ILE HB H 1 1.708 0.00 . . . . . . A 64 ILE HB . 34536 1 550 . 1 . 1 44 44 ILE HG12 H 1 1.426 0.00 . . . . . . A 64 ILE HG12 . 34536 1 551 . 1 . 1 44 44 ILE HG13 H 1 1.275 0.00 . . . . . . A 64 ILE HG13 . 34536 1 552 . 1 . 1 44 44 ILE HG21 H 1 0.118 0.01 . . . . . . A 64 ILE HG21 . 34536 1 553 . 1 . 1 44 44 ILE HG22 H 1 0.118 0.01 . . . . . . A 64 ILE HG22 . 34536 1 554 . 1 . 1 44 44 ILE HG23 H 1 0.118 0.01 . . . . . . A 64 ILE HG23 . 34536 1 555 . 1 . 1 44 44 ILE HD11 H 1 0.571 0.00 . . . . . . A 64 ILE HD11 . 34536 1 556 . 1 . 1 44 44 ILE HD12 H 1 0.571 0.00 . . . . . . A 64 ILE HD12 . 34536 1 557 . 1 . 1 44 44 ILE HD13 H 1 0.571 0.00 . . . . . . A 64 ILE HD13 . 34536 1 558 . 1 . 1 44 44 ILE C C 13 174.663 0.01 . . . . . . A 64 ILE C . 34536 1 559 . 1 . 1 44 44 ILE CA C 13 61.429 0.02 . . . . . . A 64 ILE CA . 34536 1 560 . 1 . 1 44 44 ILE CB C 13 37.613 0.05 . . . . . . A 64 ILE CB . 34536 1 561 . 1 . 1 44 44 ILE CG1 C 13 28.469 0.01 . . . . . . A 64 ILE CG1 . 34536 1 562 . 1 . 1 44 44 ILE CG2 C 13 17.020 0.00 . . . . . . A 64 ILE CG2 . 34536 1 563 . 1 . 1 44 44 ILE CD1 C 13 12.011 0.01 . . . . . . A 64 ILE CD1 . 34536 1 564 . 1 . 1 44 44 ILE N N 15 124.860 0.01 . . . . . . A 64 ILE N . 34536 1 565 . 1 . 1 45 45 THR H H 1 6.198 0.00 . . . . . . A 65 THR H . 34536 1 566 . 1 . 1 45 45 THR HA H 1 4.731 0.00 . . . . . . A 65 THR HA . 34536 1 567 . 1 . 1 45 45 THR HB H 1 4.679 0.00 . . . . . . A 65 THR HB . 34536 1 568 . 1 . 1 45 45 THR HG21 H 1 1.268 0.00 . . . . . . A 65 THR HG21 . 34536 1 569 . 1 . 1 45 45 THR HG22 H 1 1.268 0.00 . . . . . . A 65 THR HG22 . 34536 1 570 . 1 . 1 45 45 THR HG23 H 1 1.268 0.00 . . . . . . A 65 THR HG23 . 34536 1 571 . 1 . 1 45 45 THR C C 13 175.290 0.00 . . . . . . A 65 THR C . 34536 1 572 . 1 . 1 45 45 THR CA C 13 58.590 0.01 . . . . . . A 65 THR CA . 34536 1 573 . 1 . 1 45 45 THR CB C 13 72.900 0.01 . . . . . . A 65 THR CB . 34536 1 574 . 1 . 1 45 45 THR CG2 C 13 21.670 0.04 . . . . . . A 65 THR CG2 . 34536 1 575 . 1 . 1 45 45 THR N N 15 113.098 0.01 . . . . . . A 65 THR N . 34536 1 576 . 1 . 1 46 46 VAL H H 1 9.070 0.00 . . . . . . A 66 VAL H . 34536 1 577 . 1 . 1 46 46 VAL HA H 1 3.625 0.00 . . . . . . A 66 VAL HA . 34536 1 578 . 1 . 1 46 46 VAL HB H 1 2.111 0.00 . . . . . . A 66 VAL HB . 34536 1 579 . 1 . 1 46 46 VAL HG11 H 1 1.018 0.00 . . . . . . A 66 VAL HG11 . 34536 1 580 . 1 . 1 46 46 VAL HG12 H 1 1.018 0.00 . . . . . . A 66 VAL HG12 . 34536 1 581 . 1 . 1 46 46 VAL HG13 H 1 1.018 0.00 . . . . . . A 66 VAL HG13 . 34536 1 582 . 1 . 1 46 46 VAL HG21 H 1 0.995 0.00 . . . . . . A 66 VAL HG21 . 34536 1 583 . 1 . 1 46 46 VAL HG22 H 1 0.995 0.00 . . . . . . A 66 VAL HG22 . 34536 1 584 . 1 . 1 46 46 VAL HG23 H 1 0.995 0.00 . . . . . . A 66 VAL HG23 . 34536 1 585 . 1 . 1 46 46 VAL C C 13 177.514 0.00 . . . . . . A 66 VAL C . 34536 1 586 . 1 . 1 46 46 VAL CA C 13 66.357 0.02 . . . . . . A 66 VAL CA . 34536 1 587 . 1 . 1 46 46 VAL CB C 13 31.482 0.04 . . . . . . A 66 VAL CB . 34536 1 588 . 1 . 1 46 46 VAL CG1 C 13 22.087 0.04 . . . . . . A 66 VAL CG1 . 34536 1 589 . 1 . 1 46 46 VAL CG2 C 13 21.449 0.00 . . . . . . A 66 VAL CG2 . 34536 1 590 . 1 . 1 46 46 VAL N N 15 119.531 0.01 . . . . . . A 66 VAL N . 34536 1 591 . 1 . 1 47 47 ASP H H 1 7.991 0.00 . . . . . . A 67 ASP H . 34536 1 592 . 1 . 1 47 47 ASP HA H 1 4.476 0.00 . . . . . . A 67 ASP HA . 34536 1 593 . 1 . 1 47 47 ASP HB2 H 1 2.692 0.00 . . . . . . A 67 ASP HB2 . 34536 1 594 . 1 . 1 47 47 ASP HB3 H 1 2.503 0.00 . . . . . . A 67 ASP HB3 . 34536 1 595 . 1 . 1 47 47 ASP C C 13 178.579 0.00 . . . . . . A 67 ASP C . 34536 1 596 . 1 . 1 47 47 ASP CA C 13 57.322 0.01 . . . . . . A 67 ASP CA . 34536 1 597 . 1 . 1 47 47 ASP CB C 13 40.303 0.02 . . . . . . A 67 ASP CB . 34536 1 598 . 1 . 1 47 47 ASP N N 15 118.977 0.01 . . . . . . A 67 ASP N . 34536 1 599 . 1 . 1 48 48 ILE H H 1 7.589 0.00 . . . . . . A 68 ILE H . 34536 1 600 . 1 . 1 48 48 ILE HA H 1 3.708 0.00 . . . . . . A 68 ILE HA . 34536 1 601 . 1 . 1 48 48 ILE HB H 1 1.657 0.00 . . . . . . A 68 ILE HB . 34536 1 602 . 1 . 1 48 48 ILE HG12 H 1 1.820 0.00 . . . . . . A 68 ILE HG12 . 34536 1 603 . 1 . 1 48 48 ILE HG13 H 1 1.006 0.00 . . . . . . A 68 ILE HG13 . 34536 1 604 . 1 . 1 48 48 ILE HG21 H 1 0.796 0.00 . . . . . . A 68 ILE HG21 . 34536 1 605 . 1 . 1 48 48 ILE HG22 H 1 0.796 0.00 . . . . . . A 68 ILE HG22 . 34536 1 606 . 1 . 1 48 48 ILE HG23 H 1 0.796 0.00 . . . . . . A 68 ILE HG23 . 34536 1 607 . 1 . 1 48 48 ILE HD11 H 1 0.941 0.00 . . . . . . A 68 ILE HD11 . 34536 1 608 . 1 . 1 48 48 ILE HD12 H 1 0.941 0.00 . . . . . . A 68 ILE HD12 . 34536 1 609 . 1 . 1 48 48 ILE HD13 H 1 0.941 0.00 . . . . . . A 68 ILE HD13 . 34536 1 610 . 1 . 1 48 48 ILE C C 13 179.815 0.00 . . . . . . A 68 ILE C . 34536 1 611 . 1 . 1 48 48 ILE CA C 13 65.581 0.03 . . . . . . A 68 ILE CA . 34536 1 612 . 1 . 1 48 48 ILE CB C 13 38.714 0.03 . . . . . . A 68 ILE CB . 34536 1 613 . 1 . 1 48 48 ILE CG1 C 13 29.866 0.02 . . . . . . A 68 ILE CG1 . 34536 1 614 . 1 . 1 48 48 ILE CG2 C 13 17.755 0.01 . . . . . . A 68 ILE CG2 . 34536 1 615 . 1 . 1 48 48 ILE CD1 C 13 13.666 0.01 . . . . . . A 68 ILE CD1 . 34536 1 616 . 1 . 1 48 48 ILE N N 15 120.551 0.01 . . . . . . A 68 ILE N . 34536 1 617 . 1 . 1 49 49 LEU H H 1 8.093 0.00 . . . . . . A 69 LEU H . 34536 1 618 . 1 . 1 49 49 LEU HA H 1 3.601 0.00 . . . . . . A 69 LEU HA . 34536 1 619 . 1 . 1 49 49 LEU HB2 H 1 1.837 0.00 . . . . . . A 69 LEU HB2 . 34536 1 620 . 1 . 1 49 49 LEU HB3 H 1 1.345 0.00 . . . . . . A 69 LEU HB3 . 34536 1 621 . 1 . 1 49 49 LEU HG H 1 1.177 0.00 . . . . . . A 69 LEU HG . 34536 1 622 . 1 . 1 49 49 LEU HD11 H 1 0.512 0.00 . . . . . . A 69 LEU HD11 . 34536 1 623 . 1 . 1 49 49 LEU HD12 H 1 0.512 0.00 . . . . . . A 69 LEU HD12 . 34536 1 624 . 1 . 1 49 49 LEU HD13 H 1 0.512 0.00 . . . . . . A 69 LEU HD13 . 34536 1 625 . 1 . 1 49 49 LEU HD21 H 1 -0.076 0.00 . . . . . . A 69 LEU HD21 . 34536 1 626 . 1 . 1 49 49 LEU HD22 H 1 -0.076 0.00 . . . . . . A 69 LEU HD22 . 34536 1 627 . 1 . 1 49 49 LEU HD23 H 1 -0.076 0.00 . . . . . . A 69 LEU HD23 . 34536 1 628 . 1 . 1 49 49 LEU C C 13 179.749 0.01 . . . . . . A 69 LEU C . 34536 1 629 . 1 . 1 49 49 LEU CA C 13 59.045 0.02 . . . . . . A 69 LEU CA . 34536 1 630 . 1 . 1 49 49 LEU CB C 13 41.286 0.02 . . . . . . A 69 LEU CB . 34536 1 631 . 1 . 1 49 49 LEU CG C 13 26.301 0.00 . . . . . . A 69 LEU CG . 34536 1 632 . 1 . 1 49 49 LEU CD1 C 13 25.712 0.01 . . . . . . A 69 LEU CD1 . 34536 1 633 . 1 . 1 49 49 LEU CD2 C 13 22.550 0.02 . . . . . . A 69 LEU CD2 . 34536 1 634 . 1 . 1 49 49 LEU N N 15 122.876 0.01 . . . . . . A 69 LEU N . 34536 1 635 . 1 . 1 50 50 ALA H H 1 8.204 0.00 . . . . . . A 70 ALA H . 34536 1 636 . 1 . 1 50 50 ALA HA H 1 4.119 0.00 . . . . . . A 70 ALA HA . 34536 1 637 . 1 . 1 50 50 ALA HB1 H 1 1.528 0.00 . . . . . . A 70 ALA HB1 . 34536 1 638 . 1 . 1 50 50 ALA HB2 H 1 1.528 0.00 . . . . . . A 70 ALA HB2 . 34536 1 639 . 1 . 1 50 50 ALA HB3 H 1 1.528 0.00 . . . . . . A 70 ALA HB3 . 34536 1 640 . 1 . 1 50 50 ALA C C 13 179.945 0.00 . . . . . . A 70 ALA C . 34536 1 641 . 1 . 1 50 50 ALA CA C 13 55.004 0.02 . . . . . . A 70 ALA CA . 34536 1 642 . 1 . 1 50 50 ALA CB C 13 18.568 0.02 . . . . . . A 70 ALA CB . 34536 1 643 . 1 . 1 50 50 ALA N N 15 122.602 0.01 . . . . . . A 70 ALA N . 34536 1 644 . 1 . 1 51 51 GLU H H 1 8.192 0.00 . . . . . . A 71 GLU H . 34536 1 645 . 1 . 1 51 51 GLU HA H 1 4.115 0.01 . . . . . . A 71 GLU HA . 34536 1 646 . 1 . 1 51 51 GLU HB2 H 1 2.089 0.00 . . . . . . A 71 GLU HB2 . 34536 1 647 . 1 . 1 51 51 GLU HB3 H 1 1.950 0.00 . . . . . . A 71 GLU HB3 . 34536 1 648 . 1 . 1 51 51 GLU HG2 H 1 2.320 0.00 . . . . . . A 71 GLU HG2 . 34536 1 649 . 1 . 1 51 51 GLU HG3 H 1 2.320 0.00 . . . . . . A 71 GLU HG3 . 34536 1 650 . 1 . 1 51 51 GLU C C 13 178.424 0.00 . . . . . . A 71 GLU C . 34536 1 651 . 1 . 1 51 51 GLU CA C 13 58.819 0.02 . . . . . . A 71 GLU CA . 34536 1 652 . 1 . 1 51 51 GLU CB C 13 30.415 0.02 . . . . . . A 71 GLU CB . 34536 1 653 . 1 . 1 51 51 GLU CG C 13 36.038 0.01 . . . . . . A 71 GLU CG . 34536 1 654 . 1 . 1 51 51 GLU N N 15 116.438 0.01 . . . . . . A 71 GLU N . 34536 1 655 . 1 . 1 52 52 THR H H 1 7.691 0.00 . . . . . . A 72 THR H . 34536 1 656 . 1 . 1 52 52 THR HA H 1 4.504 0.00 . . . . . . A 72 THR HA . 34536 1 657 . 1 . 1 52 52 THR HB H 1 4.247 0.00 . . . . . . A 72 THR HB . 34536 1 658 . 1 . 1 52 52 THR HG21 H 1 1.304 0.00 . . . . . . A 72 THR HG21 . 34536 1 659 . 1 . 1 52 52 THR HG22 H 1 1.304 0.00 . . . . . . A 72 THR HG22 . 34536 1 660 . 1 . 1 52 52 THR HG23 H 1 1.304 0.00 . . . . . . A 72 THR HG23 . 34536 1 661 . 1 . 1 52 52 THR C C 13 176.949 0.01 . . . . . . A 72 THR C . 34536 1 662 . 1 . 1 52 52 THR CA C 13 62.675 0.01 . . . . . . A 72 THR CA . 34536 1 663 . 1 . 1 52 52 THR CB C 13 71.829 0.01 . . . . . . A 72 THR CB . 34536 1 664 . 1 . 1 52 52 THR CG2 C 13 22.144 0.05 . . . . . . A 72 THR CG2 . 34536 1 665 . 1 . 1 52 52 THR N N 15 103.359 0.01 . . . . . . A 72 THR N . 34536 1 666 . 1 . 1 53 53 GLY H H 1 7.741 0.00 . . . . . . A 73 GLY H . 34536 1 667 . 1 . 1 53 53 GLY HA2 H 1 4.180 0.00 . . . . . . A 73 GLY HA2 . 34536 1 668 . 1 . 1 53 53 GLY HA3 H 1 4.126 0.00 . . . . . . A 73 GLY HA3 . 34536 1 669 . 1 . 1 53 53 GLY C C 13 177.342 0.00 . . . . . . A 73 GLY C . 34536 1 670 . 1 . 1 53 53 GLY CA C 13 46.683 0.01 . . . . . . A 73 GLY CA . 34536 1 671 . 1 . 1 53 53 GLY N N 15 109.403 0.01 . . . . . . A 73 GLY N . 34536 1 672 . 1 . 1 54 54 VAL H H 1 7.914 0.00 . . . . . . A 74 VAL H . 34536 1 673 . 1 . 1 54 54 VAL HA H 1 4.056 0.00 . . . . . . A 74 VAL HA . 34536 1 674 . 1 . 1 54 54 VAL HB H 1 1.820 0.00 . . . . . . A 74 VAL HB . 34536 1 675 . 1 . 1 54 54 VAL HG11 H 1 1.055 0.00 . . . . . . A 74 VAL HG11 . 34536 1 676 . 1 . 1 54 54 VAL HG12 H 1 1.055 0.00 . . . . . . A 74 VAL HG12 . 34536 1 677 . 1 . 1 54 54 VAL HG13 H 1 1.055 0.00 . . . . . . A 74 VAL HG13 . 34536 1 678 . 1 . 1 54 54 VAL HG21 H 1 0.518 0.00 . . . . . . A 74 VAL HG21 . 34536 1 679 . 1 . 1 54 54 VAL HG22 H 1 0.518 0.00 . . . . . . A 74 VAL HG22 . 34536 1 680 . 1 . 1 54 54 VAL HG23 H 1 0.518 0.00 . . . . . . A 74 VAL HG23 . 34536 1 681 . 1 . 1 54 54 VAL C C 13 175.857 0.00 . . . . . . A 74 VAL C . 34536 1 682 . 1 . 1 54 54 VAL CA C 13 64.580 0.05 . . . . . . A 74 VAL CA . 34536 1 683 . 1 . 1 54 54 VAL CB C 13 31.522 0.06 . . . . . . A 74 VAL CB . 34536 1 684 . 1 . 1 54 54 VAL CG1 C 13 22.701 0.01 . . . . . . A 74 VAL CG1 . 34536 1 685 . 1 . 1 54 54 VAL CG2 C 13 20.002 0.02 . . . . . . A 74 VAL CG2 . 34536 1 686 . 1 . 1 54 54 VAL N N 15 119.833 0.01 . . . . . . A 74 VAL N . 34536 1 687 . 1 . 1 55 55 GLY H H 1 8.895 0.00 . . . . . . A 75 GLY H . 34536 1 688 . 1 . 1 55 55 GLY HA2 H 1 4.019 0.00 . . . . . . A 75 GLY HA2 . 34536 1 689 . 1 . 1 55 55 GLY HA3 H 1 4.019 0.00 . . . . . . A 75 GLY HA3 . 34536 1 690 . 1 . 1 55 55 GLY C C 13 176.471 0.00 . . . . . . A 75 GLY C . 34536 1 691 . 1 . 1 55 55 GLY CA C 13 47.375 0.02 . . . . . . A 75 GLY CA . 34536 1 692 . 1 . 1 55 55 GLY N N 15 111.411 0.01 . . . . . . A 75 GLY N . 34536 1 693 . 1 . 1 56 56 LYS H H 1 7.446 0.00 . . . . . . A 76 LYS H . 34536 1 694 . 1 . 1 56 56 LYS HA H 1 4.190 0.00 . . . . . . A 76 LYS HA . 34536 1 695 . 1 . 1 56 56 LYS HB2 H 1 2.002 0.00 . . . . . . A 76 LYS HB2 . 34536 1 696 . 1 . 1 56 56 LYS HB3 H 1 2.002 0.00 . . . . . . A 76 LYS HB3 . 34536 1 697 . 1 . 1 56 56 LYS HG2 H 1 1.493 0.00 . . . . . . A 76 LYS HG2 . 34536 1 698 . 1 . 1 56 56 LYS HG3 H 1 1.493 0.00 . . . . . . A 76 LYS HG3 . 34536 1 699 . 1 . 1 56 56 LYS HD2 H 1 1.759 0.00 . . . . . . A 76 LYS HD2 . 34536 1 700 . 1 . 1 56 56 LYS HD3 H 1 1.759 0.00 . . . . . . A 76 LYS HD3 . 34536 1 701 . 1 . 1 56 56 LYS HE2 H 1 2.935 0.00 . . . . . . A 76 LYS HE2 . 34536 1 702 . 1 . 1 56 56 LYS HE3 H 1 2.935 0.00 . . . . . . A 76 LYS HE3 . 34536 1 703 . 1 . 1 56 56 LYS C C 13 179.774 0.00 . . . . . . A 76 LYS C . 34536 1 704 . 1 . 1 56 56 LYS CA C 13 59.427 0.07 . . . . . . A 76 LYS CA . 34536 1 705 . 1 . 1 56 56 LYS CB C 13 31.794 0.02 . . . . . . A 76 LYS CB . 34536 1 706 . 1 . 1 56 56 LYS CG C 13 25.374 0.04 . . . . . . A 76 LYS CG . 34536 1 707 . 1 . 1 56 56 LYS CD C 13 29.430 0.02 . . . . . . A 76 LYS CD . 34536 1 708 . 1 . 1 56 56 LYS CE C 13 42.278 0.08 . . . . . . A 76 LYS CE . 34536 1 709 . 1 . 1 56 56 LYS N N 15 122.713 0.00 . . . . . . A 76 LYS N . 34536 1 710 . 1 . 1 57 57 THR H H 1 7.748 0.00 . . . . . . A 77 THR H . 34536 1 711 . 1 . 1 57 57 THR HA H 1 3.960 0.00 . . . . . . A 77 THR HA . 34536 1 712 . 1 . 1 57 57 THR HB H 1 4.308 0.00 . . . . . . A 77 THR HB . 34536 1 713 . 1 . 1 57 57 THR HG21 H 1 1.285 0.00 . . . . . . A 77 THR HG21 . 34536 1 714 . 1 . 1 57 57 THR HG22 H 1 1.285 0.00 . . . . . . A 77 THR HG22 . 34536 1 715 . 1 . 1 57 57 THR HG23 H 1 1.285 0.00 . . . . . . A 77 THR HG23 . 34536 1 716 . 1 . 1 57 57 THR C C 13 177.490 0.00 . . . . . . A 77 THR C . 34536 1 717 . 1 . 1 57 57 THR CA C 13 66.774 0.01 . . . . . . A 77 THR CA . 34536 1 718 . 1 . 1 57 57 THR CB C 13 68.597 0.01 . . . . . . A 77 THR CB . 34536 1 719 . 1 . 1 57 57 THR CG2 C 13 22.722 0.02 . . . . . . A 77 THR CG2 . 34536 1 720 . 1 . 1 57 57 THR N N 15 117.828 0.02 . . . . . . A 77 THR N . 34536 1 721 . 1 . 1 58 58 VAL H H 1 8.533 0.00 . . . . . . A 78 VAL H . 34536 1 722 . 1 . 1 58 58 VAL HA H 1 3.558 0.00 . . . . . . A 78 VAL HA . 34536 1 723 . 1 . 1 58 58 VAL HB H 1 2.164 0.00 . . . . . . A 78 VAL HB . 34536 1 724 . 1 . 1 58 58 VAL HG11 H 1 1.141 0.00 . . . . . . A 78 VAL HG11 . 34536 1 725 . 1 . 1 58 58 VAL HG12 H 1 1.141 0.00 . . . . . . A 78 VAL HG12 . 34536 1 726 . 1 . 1 58 58 VAL HG13 H 1 1.141 0.00 . . . . . . A 78 VAL HG13 . 34536 1 727 . 1 . 1 58 58 VAL HG21 H 1 0.897 0.00 . . . . . . A 78 VAL HG21 . 34536 1 728 . 1 . 1 58 58 VAL HG22 H 1 0.897 0.00 . . . . . . A 78 VAL HG22 . 34536 1 729 . 1 . 1 58 58 VAL HG23 H 1 0.897 0.00 . . . . . . A 78 VAL HG23 . 34536 1 730 . 1 . 1 58 58 VAL C C 13 177.977 0.00 . . . . . . A 78 VAL C . 34536 1 731 . 1 . 1 58 58 VAL CA C 13 67.640 0.02 . . . . . . A 78 VAL CA . 34536 1 732 . 1 . 1 58 58 VAL CB C 13 31.636 0.02 . . . . . . A 78 VAL CB . 34536 1 733 . 1 . 1 58 58 VAL CG1 C 13 24.069 0.02 . . . . . . A 78 VAL CG1 . 34536 1 734 . 1 . 1 58 58 VAL CG2 C 13 23.462 0.01 . . . . . . A 78 VAL CG2 . 34536 1 735 . 1 . 1 58 58 VAL N N 15 121.178 0.01 . . . . . . A 78 VAL N . 34536 1 736 . 1 . 1 59 59 ASN H H 1 8.446 0.00 . . . . . . A 79 ASN H . 34536 1 737 . 1 . 1 59 59 ASN HA H 1 4.417 0.00 . . . . . . A 79 ASN HA . 34536 1 738 . 1 . 1 59 59 ASN HB2 H 1 3.002 0.01 . . . . . . A 79 ASN HB2 . 34536 1 739 . 1 . 1 59 59 ASN HB3 H 1 2.914 0.01 . . . . . . A 79 ASN HB3 . 34536 1 740 . 1 . 1 59 59 ASN HD21 H 1 7.675 0.00 . . . . . . A 79 ASN HD21 . 34536 1 741 . 1 . 1 59 59 ASN HD22 H 1 6.920 0.00 . . . . . . A 79 ASN HD22 . 34536 1 742 . 1 . 1 59 59 ASN C C 13 178.983 0.00 . . . . . . A 79 ASN C . 34536 1 743 . 1 . 1 59 59 ASN CA C 13 56.725 0.04 . . . . . . A 79 ASN CA . 34536 1 744 . 1 . 1 59 59 ASN CB C 13 38.799 0.04 . . . . . . A 79 ASN CB . 34536 1 745 . 1 . 1 59 59 ASN N N 15 118.435 0.01 . . . . . . A 79 ASN N . 34536 1 746 . 1 . 1 59 59 ASN ND2 N 15 113.757 0.01 . . . . . . A 79 ASN ND2 . 34536 1 747 . 1 . 1 60 60 SER H H 1 7.926 0.00 . . . . . . A 80 SER H . 34536 1 748 . 1 . 1 60 60 SER HA H 1 4.418 0.00 . . . . . . A 80 SER HA . 34536 1 749 . 1 . 1 60 60 SER HB2 H 1 4.146 0.00 . . . . . . A 80 SER HB2 . 34536 1 750 . 1 . 1 60 60 SER HB3 H 1 4.146 0.00 . . . . . . A 80 SER HB3 . 34536 1 751 . 1 . 1 60 60 SER C C 13 175.225 0.00 . . . . . . A 80 SER C . 34536 1 752 . 1 . 1 60 60 SER CA C 13 61.376 0.01 . . . . . . A 80 SER CA . 34536 1 753 . 1 . 1 60 60 SER CB C 13 63.159 0.02 . . . . . . A 80 SER CB . 34536 1 754 . 1 . 1 60 60 SER N N 15 115.168 0.01 . . . . . . A 80 SER N . 34536 1 755 . 1 . 1 61 61 LEU H H 1 7.758 0.00 . . . . . . A 81 LEU H . 34536 1 756 . 1 . 1 61 61 LEU HA H 1 4.597 0.00 . . . . . . A 81 LEU HA . 34536 1 757 . 1 . 1 61 61 LEU HB2 H 1 1.968 0.00 . . . . . . A 81 LEU HB2 . 34536 1 758 . 1 . 1 61 61 LEU HB3 H 1 1.587 0.00 . . . . . . A 81 LEU HB3 . 34536 1 759 . 1 . 1 61 61 LEU HG H 1 1.834 0.00 . . . . . . A 81 LEU HG . 34536 1 760 . 1 . 1 61 61 LEU HD11 H 1 0.925 0.00 . . . . . . A 81 LEU HD11 . 34536 1 761 . 1 . 1 61 61 LEU HD12 H 1 0.925 0.00 . . . . . . A 81 LEU HD12 . 34536 1 762 . 1 . 1 61 61 LEU HD13 H 1 0.925 0.00 . . . . . . A 81 LEU HD13 . 34536 1 763 . 1 . 1 61 61 LEU HD21 H 1 0.913 0.00 . . . . . . A 81 LEU HD21 . 34536 1 764 . 1 . 1 61 61 LEU HD22 H 1 0.913 0.00 . . . . . . A 81 LEU HD22 . 34536 1 765 . 1 . 1 61 61 LEU HD23 H 1 0.913 0.00 . . . . . . A 81 LEU HD23 . 34536 1 766 . 1 . 1 61 61 LEU C C 13 177.903 0.00 . . . . . . A 81 LEU C . 34536 1 767 . 1 . 1 61 61 LEU CA C 13 54.928 0.01 . . . . . . A 81 LEU CA . 34536 1 768 . 1 . 1 61 61 LEU CB C 13 42.571 0.01 . . . . . . A 81 LEU CB . 34536 1 769 . 1 . 1 61 61 LEU CG C 13 26.586 0.00 . . . . . . A 81 LEU CG . 34536 1 770 . 1 . 1 61 61 LEU CD1 C 13 27.229 0.00 . . . . . . A 81 LEU CD1 . 34536 1 771 . 1 . 1 61 61 LEU CD2 C 13 22.950 0.01 . . . . . . A 81 LEU CD2 . 34536 1 772 . 1 . 1 61 61 LEU N N 15 122.160 0.01 . . . . . . A 81 LEU N . 34536 1 773 . 1 . 1 62 62 ARG H H 1 7.449 0.00 . . . . . . A 82 ARG H . 34536 1 774 . 1 . 1 62 62 ARG HA H 1 4.203 0.00 . . . . . . A 82 ARG HA . 34536 1 775 . 1 . 1 62 62 ARG HB2 H 1 2.013 0.00 . . . . . . A 82 ARG HB2 . 34536 1 776 . 1 . 1 62 62 ARG HB3 H 1 1.867 0.00 . . . . . . A 82 ARG HB3 . 34536 1 777 . 1 . 1 62 62 ARG HG2 H 1 1.671 0.00 . . . . . . A 82 ARG HG2 . 34536 1 778 . 1 . 1 62 62 ARG HG3 H 1 1.671 0.00 . . . . . . A 82 ARG HG3 . 34536 1 779 . 1 . 1 62 62 ARG HD2 H 1 3.357 0.00 . . . . . . A 82 ARG HD2 . 34536 1 780 . 1 . 1 62 62 ARG HD3 H 1 3.271 0.00 . . . . . . A 82 ARG HD3 . 34536 1 781 . 1 . 1 62 62 ARG C C 13 175.335 0.00 . . . . . . A 82 ARG C . 34536 1 782 . 1 . 1 62 62 ARG CA C 13 59.555 0.05 . . . . . . A 82 ARG CA . 34536 1 783 . 1 . 1 62 62 ARG CB C 13 29.986 0.02 . . . . . . A 82 ARG CB . 34536 1 784 . 1 . 1 62 62 ARG CG C 13 27.416 0.00 . . . . . . A 82 ARG CG . 34536 1 785 . 1 . 1 62 62 ARG CD C 13 43.548 0.00 . . . . . . A 82 ARG CD . 34536 1 786 . 1 . 1 62 62 ARG N N 15 117.450 0.01 . . . . . . A 82 ARG N . 34536 1 787 . 1 . 1 63 63 LYS H H 1 8.179 0.00 . . . . . . A 83 LYS H . 34536 1 788 . 1 . 1 63 63 LYS HA H 1 4.546 0.00 . . . . . . A 83 LYS HA . 34536 1 789 . 1 . 1 63 63 LYS HB2 H 1 1.668 0.00 . . . . . . A 83 LYS HB2 . 34536 1 790 . 1 . 1 63 63 LYS HB3 H 1 2.037 0.00 . . . . . . A 83 LYS HB3 . 34536 1 791 . 1 . 1 63 63 LYS HG2 H 1 1.400 0.00 . . . . . . A 83 LYS HG2 . 34536 1 792 . 1 . 1 63 63 LYS HG3 H 1 1.400 0.00 . . . . . . A 83 LYS HG3 . 34536 1 793 . 1 . 1 63 63 LYS HD2 H 1 1.700 0.00 . . . . . . A 83 LYS HD2 . 34536 1 794 . 1 . 1 63 63 LYS HD3 H 1 1.700 0.00 . . . . . . A 83 LYS HD3 . 34536 1 795 . 1 . 1 63 63 LYS HE2 H 1 3.006 0.00 . . . . . . A 83 LYS HE2 . 34536 1 796 . 1 . 1 63 63 LYS HE3 H 1 3.006 0.00 . . . . . . A 83 LYS HE3 . 34536 1 797 . 1 . 1 63 63 LYS C C 13 176.484 0.00 . . . . . . A 83 LYS C . 34536 1 798 . 1 . 1 63 63 LYS CA C 13 54.928 0.03 . . . . . . A 83 LYS CA . 34536 1 799 . 1 . 1 63 63 LYS CB C 13 32.018 0.01 . . . . . . A 83 LYS CB . 34536 1 800 . 1 . 1 63 63 LYS CG C 13 25.187 0.05 . . . . . . A 83 LYS CG . 34536 1 801 . 1 . 1 63 63 LYS CD C 13 29.032 0.04 . . . . . . A 83 LYS CD . 34536 1 802 . 1 . 1 63 63 LYS CE C 13 42.132 0.00 . . . . . . A 83 LYS CE . 34536 1 803 . 1 . 1 63 63 LYS N N 15 116.352 0.03 . . . . . . A 83 LYS N . 34536 1 804 . 1 . 1 64 64 HIS H H 1 7.854 0.00 . . . . . . A 84 HIS H . 34536 1 805 . 1 . 1 64 64 HIS HA H 1 4.131 0.00 . . . . . . A 84 HIS HA . 34536 1 806 . 1 . 1 64 64 HIS HB2 H 1 3.247 0.00 . . . . . . A 84 HIS HB2 . 34536 1 807 . 1 . 1 64 64 HIS HB3 H 1 2.971 0.00 . . . . . . A 84 HIS HB3 . 34536 1 808 . 1 . 1 64 64 HIS HD2 H 1 7.286 0.00 . . . . . . A 84 HIS HD2 . 34536 1 809 . 1 . 1 64 64 HIS HE1 H 1 7.750 0.00 . . . . . . A 84 HIS HE1 . 34536 1 810 . 1 . 1 64 64 HIS C C 13 178.325 0.00 . . . . . . A 84 HIS C . 34536 1 811 . 1 . 1 64 64 HIS CA C 13 59.339 0.04 . . . . . . A 84 HIS CA . 34536 1 812 . 1 . 1 64 64 HIS CB C 13 32.424 0.04 . . . . . . A 84 HIS CB . 34536 1 813 . 1 . 1 64 64 HIS CD2 C 13 120.133 0.00 . . . . . . A 84 HIS CD2 . 34536 1 814 . 1 . 1 64 64 HIS CE1 C 13 139.387 0.00 . . . . . . A 84 HIS CE1 . 34536 1 815 . 1 . 1 64 64 HIS N N 15 124.218 0.01 . . . . . . A 84 HIS N . 34536 1 816 . 1 . 1 65 65 GLU H H 1 9.020 0.00 . . . . . . A 85 GLU H . 34536 1 817 . 1 . 1 65 65 GLU HA H 1 3.958 0.00 . . . . . . A 85 GLU HA . 34536 1 818 . 1 . 1 65 65 GLU HB2 H 1 1.870 0.00 . . . . . . A 85 GLU HB2 . 34536 1 819 . 1 . 1 65 65 GLU HB3 H 1 1.716 0.00 . . . . . . A 85 GLU HB3 . 34536 1 820 . 1 . 1 65 65 GLU HG2 H 1 2.066 0.00 . . . . . . A 85 GLU HG2 . 34536 1 821 . 1 . 1 65 65 GLU HG3 H 1 1.944 0.00 . . . . . . A 85 GLU HG3 . 34536 1 822 . 1 . 1 65 65 GLU C C 13 176.828 0.00 . . . . . . A 85 GLU C . 34536 1 823 . 1 . 1 65 65 GLU CA C 13 59.562 0.02 . . . . . . A 85 GLU CA . 34536 1 824 . 1 . 1 65 65 GLU CB C 13 29.783 0.02 . . . . . . A 85 GLU CB . 34536 1 825 . 1 . 1 65 65 GLU CG C 13 35.738 0.01 . . . . . . A 85 GLU CG . 34536 1 826 . 1 . 1 65 65 GLU N N 15 128.847 0.01 . . . . . . A 85 GLU N . 34536 1 827 . 1 . 1 66 66 HIS H H 1 9.698 0.00 . . . . . . A 86 HIS H . 34536 1 828 . 1 . 1 66 66 HIS HA H 1 5.022 0.00 . . . . . . A 86 HIS HA . 34536 1 829 . 1 . 1 66 66 HIS HB2 H 1 3.371 0.00 . . . . . . A 86 HIS HB2 . 34536 1 830 . 1 . 1 66 66 HIS HB3 H 1 3.193 0.00 . . . . . . A 86 HIS HB3 . 34536 1 831 . 1 . 1 66 66 HIS HD2 H 1 7.039 0.00 . . . . . . A 86 HIS HD2 . 34536 1 832 . 1 . 1 66 66 HIS HE1 H 1 7.852 0.00 . . . . . . A 86 HIS HE1 . 34536 1 833 . 1 . 1 66 66 HIS C C 13 178.178 0.00 . . . . . . A 86 HIS C . 34536 1 834 . 1 . 1 66 66 HIS CA C 13 58.326 0.02 . . . . . . A 86 HIS CA . 34536 1 835 . 1 . 1 66 66 HIS CB C 13 34.130 0.04 . . . . . . A 86 HIS CB . 34536 1 836 . 1 . 1 66 66 HIS CD2 C 13 119.113 0.00 . . . . . . A 86 HIS CD2 . 34536 1 837 . 1 . 1 66 66 HIS CE1 C 13 138.038 0.00 . . . . . . A 86 HIS CE1 . 34536 1 838 . 1 . 1 66 66 HIS N N 15 117.814 0.01 . . . . . . A 86 HIS N . 34536 1 839 . 1 . 1 67 67 VAL H H 1 8.477 0.00 . . . . . . A 87 VAL H . 34536 1 840 . 1 . 1 67 67 VAL HA H 1 4.886 0.00 . . . . . . A 87 VAL HA . 34536 1 841 . 1 . 1 67 67 VAL HB H 1 2.487 0.00 . . . . . . A 87 VAL HB . 34536 1 842 . 1 . 1 67 67 VAL HG11 H 1 0.819 0.00 . . . . . . A 87 VAL HG11 . 34536 1 843 . 1 . 1 67 67 VAL HG12 H 1 0.819 0.00 . . . . . . A 87 VAL HG12 . 34536 1 844 . 1 . 1 67 67 VAL HG13 H 1 0.819 0.00 . . . . . . A 87 VAL HG13 . 34536 1 845 . 1 . 1 67 67 VAL HG21 H 1 0.538 0.00 . . . . . . A 87 VAL HG21 . 34536 1 846 . 1 . 1 67 67 VAL HG22 H 1 0.538 0.00 . . . . . . A 87 VAL HG22 . 34536 1 847 . 1 . 1 67 67 VAL HG23 H 1 0.538 0.00 . . . . . . A 87 VAL HG23 . 34536 1 848 . 1 . 1 67 67 VAL C C 13 175.663 0.00 . . . . . . A 87 VAL C . 34536 1 849 . 1 . 1 67 67 VAL CA C 13 60.598 0.04 . . . . . . A 87 VAL CA . 34536 1 850 . 1 . 1 67 67 VAL CB C 13 31.951 0.03 . . . . . . A 87 VAL CB . 34536 1 851 . 1 . 1 67 67 VAL CG1 C 13 22.002 0.03 . . . . . . A 87 VAL CG1 . 34536 1 852 . 1 . 1 67 67 VAL CG2 C 13 19.230 0.01 . . . . . . A 87 VAL CG2 . 34536 1 853 . 1 . 1 67 67 VAL N N 15 110.503 0.02 . . . . . . A 87 VAL N . 34536 1 854 . 1 . 1 68 68 GLY H H 1 8.123 0.00 . . . . . . A 88 GLY H . 34536 1 855 . 1 . 1 68 68 GLY HA2 H 1 4.360 0.00 . . . . . . A 88 GLY HA2 . 34536 1 856 . 1 . 1 68 68 GLY HA3 H 1 4.034 0.00 . . . . . . A 88 GLY HA3 . 34536 1 857 . 1 . 1 68 68 GLY C C 13 175.830 0.00 . . . . . . A 88 GLY C . 34536 1 858 . 1 . 1 68 68 GLY CA C 13 48.115 0.01 . . . . . . A 88 GLY CA . 34536 1 859 . 1 . 1 68 68 GLY N N 15 113.013 0.00 . . . . . . A 88 GLY N . 34536 1 860 . 1 . 1 69 69 SER H H 1 8.517 0.00 . . . . . . A 89 SER H . 34536 1 861 . 1 . 1 69 69 SER HA H 1 3.906 0.00 . . . . . . A 89 SER HA . 34536 1 862 . 1 . 1 69 69 SER C C 13 176.136 0.00 . . . . . . A 89 SER C . 34536 1 863 . 1 . 1 69 69 SER CA C 13 62.078 0.03 . . . . . . A 89 SER CA . 34536 1 864 . 1 . 1 69 69 SER N N 15 115.676 0.01 . . . . . . A 89 SER N . 34536 1 865 . 1 . 1 70 70 PHE H H 1 7.694 0.00 . . . . . . A 90 PHE H . 34536 1 866 . 1 . 1 70 70 PHE HA H 1 4.116 0.00 . . . . . . A 90 PHE HA . 34536 1 867 . 1 . 1 70 70 PHE HB2 H 1 3.122 0.00 . . . . . . A 90 PHE HB2 . 34536 1 868 . 1 . 1 70 70 PHE HB3 H 1 2.920 0.00 . . . . . . A 90 PHE HB3 . 34536 1 869 . 1 . 1 70 70 PHE HD1 H 1 7.095 0.00 . . . . . . A 90 PHE HD1 . 34536 1 870 . 1 . 1 70 70 PHE HD2 H 1 7.095 0.00 . . . . . . A 90 PHE HD2 . 34536 1 871 . 1 . 1 70 70 PHE HE1 H 1 7.206 0.00 . . . . . . A 90 PHE HE1 . 34536 1 872 . 1 . 1 70 70 PHE HE2 H 1 7.206 0.00 . . . . . . A 90 PHE HE2 . 34536 1 873 . 1 . 1 70 70 PHE HZ H 1 7.306 0.00 . . . . . . A 90 PHE HZ . 34536 1 874 . 1 . 1 70 70 PHE C C 13 178.189 0.00 . . . . . . A 90 PHE C . 34536 1 875 . 1 . 1 70 70 PHE CA C 13 61.087 0.01 . . . . . . A 90 PHE CA . 34536 1 876 . 1 . 1 70 70 PHE CB C 13 39.256 0.04 . . . . . . A 90 PHE CB . 34536 1 877 . 1 . 1 70 70 PHE CD1 C 13 131.997 0.00 . . . . . . A 90 PHE CD1 . 34536 1 878 . 1 . 1 70 70 PHE CE1 C 13 131.093 0.00 . . . . . . A 90 PHE CE1 . 34536 1 879 . 1 . 1 70 70 PHE CZ C 13 129.580 0.00 . . . . . . A 90 PHE CZ . 34536 1 880 . 1 . 1 70 70 PHE N N 15 123.270 0.01 . . . . . . A 90 PHE N . 34536 1 881 . 1 . 1 71 71 ALA H H 1 8.552 0.00 . . . . . . A 91 ALA H . 34536 1 882 . 1 . 1 71 71 ALA HA H 1 3.718 0.00 . . . . . . A 91 ALA HA . 34536 1 883 . 1 . 1 71 71 ALA HB1 H 1 1.397 0.00 . . . . . . A 91 ALA HB1 . 34536 1 884 . 1 . 1 71 71 ALA HB2 H 1 1.397 0.00 . . . . . . A 91 ALA HB2 . 34536 1 885 . 1 . 1 71 71 ALA HB3 H 1 1.397 0.00 . . . . . . A 91 ALA HB3 . 34536 1 886 . 1 . 1 71 71 ALA C C 13 178.766 0.00 . . . . . . A 91 ALA C . 34536 1 887 . 1 . 1 71 71 ALA CA C 13 55.749 0.01 . . . . . . A 91 ALA CA . 34536 1 888 . 1 . 1 71 71 ALA CB C 13 17.921 0.00 . . . . . . A 91 ALA CB . 34536 1 889 . 1 . 1 71 71 ALA N N 15 121.210 0.01 . . . . . . A 91 ALA N . 34536 1 890 . 1 . 1 72 72 ARG H H 1 8.671 0.00 . . . . . . A 92 ARG H . 34536 1 891 . 1 . 1 72 72 ARG HA H 1 3.757 0.00 . . . . . . A 92 ARG HA . 34536 1 892 . 1 . 1 72 72 ARG HB2 H 1 2.037 0.00 . . . . . . A 92 ARG HB2 . 34536 1 893 . 1 . 1 72 72 ARG HB3 H 1 1.864 0.00 . . . . . . A 92 ARG HB3 . 34536 1 894 . 1 . 1 72 72 ARG HG2 H 1 2.182 0.00 . . . . . . A 92 ARG HG2 . 34536 1 895 . 1 . 1 72 72 ARG HG3 H 1 1.471 0.00 . . . . . . A 92 ARG HG3 . 34536 1 896 . 1 . 1 72 72 ARG HD2 H 1 3.349 0.00 . . . . . . A 92 ARG HD2 . 34536 1 897 . 1 . 1 72 72 ARG HD3 H 1 3.206 0.00 . . . . . . A 92 ARG HD3 . 34536 1 898 . 1 . 1 72 72 ARG C C 13 179.480 0.00 . . . . . . A 92 ARG C . 34536 1 899 . 1 . 1 72 72 ARG CA C 13 60.325 0.02 . . . . . . A 92 ARG CA . 34536 1 900 . 1 . 1 72 72 ARG CB C 13 30.178 0.03 . . . . . . A 92 ARG CB . 34536 1 901 . 1 . 1 72 72 ARG CG C 13 28.603 0.05 . . . . . . A 92 ARG CG . 34536 1 902 . 1 . 1 72 72 ARG CD C 13 43.799 0.02 . . . . . . A 92 ARG CD . 34536 1 903 . 1 . 1 72 72 ARG N N 15 116.090 0.00 . . . . . . A 92 ARG N . 34536 1 904 . 1 . 1 73 73 ASP H H 1 7.652 0.00 . . . . . . A 93 ASP H . 34536 1 905 . 1 . 1 73 73 ASP HA H 1 4.293 0.00 . . . . . . A 93 ASP HA . 34536 1 906 . 1 . 1 73 73 ASP HB2 H 1 2.567 0.00 . . . . . . A 93 ASP HB2 . 34536 1 907 . 1 . 1 73 73 ASP HB3 H 1 2.421 0.00 . . . . . . A 93 ASP HB3 . 34536 1 908 . 1 . 1 73 73 ASP C C 13 178.142 0.00 . . . . . . A 93 ASP C . 34536 1 909 . 1 . 1 73 73 ASP CA C 13 57.103 0.02 . . . . . . A 93 ASP CA . 34536 1 910 . 1 . 1 73 73 ASP CB C 13 39.997 0.02 . . . . . . A 93 ASP CB . 34536 1 911 . 1 . 1 73 73 ASP N N 15 121.012 0.01 . . . . . . A 93 ASP N . 34536 1 912 . 1 . 1 74 74 LEU H H 1 7.877 0.00 . . . . . . A 94 LEU H . 34536 1 913 . 1 . 1 74 74 LEU HA H 1 3.554 0.00 . . . . . . A 94 LEU HA . 34536 1 914 . 1 . 1 74 74 LEU HB2 H 1 1.098 0.00 . . . . . . A 94 LEU HB2 . 34536 1 915 . 1 . 1 74 74 LEU HB3 H 1 0.919 0.00 . . . . . . A 94 LEU HB3 . 34536 1 916 . 1 . 1 74 74 LEU HG H 1 0.544 0.00 . . . . . . A 94 LEU HG . 34536 1 917 . 1 . 1 74 74 LEU HD11 H 1 0.024 0.00 . . . . . . A 94 LEU HD11 . 34536 1 918 . 1 . 1 74 74 LEU HD12 H 1 0.024 0.00 . . . . . . A 94 LEU HD12 . 34536 1 919 . 1 . 1 74 74 LEU HD13 H 1 0.024 0.00 . . . . . . A 94 LEU HD13 . 34536 1 920 . 1 . 1 74 74 LEU HD21 H 1 0.261 0.01 . . . . . . A 94 LEU HD21 . 34536 1 921 . 1 . 1 74 74 LEU HD22 H 1 0.261 0.01 . . . . . . A 94 LEU HD22 . 34536 1 922 . 1 . 1 74 74 LEU HD23 H 1 0.261 0.01 . . . . . . A 94 LEU HD23 . 34536 1 923 . 1 . 1 74 74 LEU C C 13 177.350 0.00 . . . . . . A 94 LEU C . 34536 1 924 . 1 . 1 74 74 LEU CA C 13 57.358 0.02 . . . . . . A 94 LEU CA . 34536 1 925 . 1 . 1 74 74 LEU CB C 13 41.375 0.02 . . . . . . A 94 LEU CB . 34536 1 926 . 1 . 1 74 74 LEU CG C 13 26.016 0.01 . . . . . . A 94 LEU CG . 34536 1 927 . 1 . 1 74 74 LEU CD1 C 13 25.484 0.00 . . . . . . A 94 LEU CD1 . 34536 1 928 . 1 . 1 74 74 LEU CD2 C 13 23.621 0.03 . . . . . . A 94 LEU CD2 . 34536 1 929 . 1 . 1 74 74 LEU N N 15 123.596 0.00 . . . . . . A 94 LEU N . 34536 1 930 . 1 . 1 75 75 VAL H H 1 7.911 0.00 . . . . . . A 95 VAL H . 34536 1 931 . 1 . 1 75 75 VAL HA H 1 3.502 0.00 . . . . . . A 95 VAL HA . 34536 1 932 . 1 . 1 75 75 VAL HB H 1 2.063 0.00 . . . . . . A 95 VAL HB . 34536 1 933 . 1 . 1 75 75 VAL HG11 H 1 1.081 0.00 . . . . . . A 95 VAL HG11 . 34536 1 934 . 1 . 1 75 75 VAL HG12 H 1 1.081 0.00 . . . . . . A 95 VAL HG12 . 34536 1 935 . 1 . 1 75 75 VAL HG13 H 1 1.081 0.00 . . . . . . A 95 VAL HG13 . 34536 1 936 . 1 . 1 75 75 VAL HG21 H 1 0.994 0.00 . . . . . . A 95 VAL HG21 . 34536 1 937 . 1 . 1 75 75 VAL HG22 H 1 0.994 0.00 . . . . . . A 95 VAL HG22 . 34536 1 938 . 1 . 1 75 75 VAL HG23 H 1 0.994 0.00 . . . . . . A 95 VAL HG23 . 34536 1 939 . 1 . 1 75 75 VAL C C 13 178.723 0.00 . . . . . . A 95 VAL C . 34536 1 940 . 1 . 1 75 75 VAL CA C 13 66.800 0.02 . . . . . . A 95 VAL CA . 34536 1 941 . 1 . 1 75 75 VAL CB C 13 31.555 0.04 . . . . . . A 95 VAL CB . 34536 1 942 . 1 . 1 75 75 VAL CG1 C 13 22.849 0.04 . . . . . . A 95 VAL CG1 . 34536 1 943 . 1 . 1 75 75 VAL CG2 C 13 21.288 0.05 . . . . . . A 95 VAL CG2 . 34536 1 944 . 1 . 1 75 75 VAL N N 15 116.901 0.01 . . . . . . A 95 VAL N . 34536 1 945 . 1 . 1 76 76 ALA H H 1 7.641 0.00 . . . . . . A 96 ALA H . 34536 1 946 . 1 . 1 76 76 ALA HA H 1 4.071 0.00 . . . . . . A 96 ALA HA . 34536 1 947 . 1 . 1 76 76 ALA HB1 H 1 1.485 0.00 . . . . . . A 96 ALA HB1 . 34536 1 948 . 1 . 1 76 76 ALA HB2 H 1 1.485 0.00 . . . . . . A 96 ALA HB2 . 34536 1 949 . 1 . 1 76 76 ALA HB3 H 1 1.485 0.00 . . . . . . A 96 ALA HB3 . 34536 1 950 . 1 . 1 76 76 ALA C C 13 180.558 0.00 . . . . . . A 96 ALA C . 34536 1 951 . 1 . 1 76 76 ALA CA C 13 55.256 0.03 . . . . . . A 96 ALA CA . 34536 1 952 . 1 . 1 76 76 ALA CB C 13 17.926 0.00 . . . . . . A 96 ALA CB . 34536 1 953 . 1 . 1 76 76 ALA N N 15 120.945 0.01 . . . . . . A 96 ALA N . 34536 1 954 . 1 . 1 77 77 GLN H H 1 7.846 0.00 . . . . . . A 97 GLN H . 34536 1 955 . 1 . 1 77 77 GLN HA H 1 4.037 0.00 . . . . . . A 97 GLN HA . 34536 1 956 . 1 . 1 77 77 GLN HB2 H 1 2.123 0.00 . . . . . . A 97 GLN HB2 . 34536 1 957 . 1 . 1 77 77 GLN HB3 H 1 2.123 0.00 . . . . . . A 97 GLN HB3 . 34536 1 958 . 1 . 1 77 77 GLN HG2 H 1 2.430 0.00 . . . . . . A 97 GLN HG2 . 34536 1 959 . 1 . 1 77 77 GLN HG3 H 1 2.371 0.00 . . . . . . A 97 GLN HG3 . 34536 1 960 . 1 . 1 77 77 GLN HE21 H 1 7.419 0.00 . . . . . . A 97 GLN HE21 . 34536 1 961 . 1 . 1 77 77 GLN HE22 H 1 6.891 0.00 . . . . . . A 97 GLN HE22 . 34536 1 962 . 1 . 1 77 77 GLN C C 13 180.033 0.00 . . . . . . A 97 GLN C . 34536 1 963 . 1 . 1 77 77 GLN CA C 13 58.857 0.02 . . . . . . A 97 GLN CA . 34536 1 964 . 1 . 1 77 77 GLN CB C 13 28.107 0.00 . . . . . . A 97 GLN CB . 34536 1 965 . 1 . 1 77 77 GLN CG C 13 33.534 0.02 . . . . . . A 97 GLN CG . 34536 1 966 . 1 . 1 77 77 GLN N N 15 119.589 0.01 . . . . . . A 97 GLN N . 34536 1 967 . 1 . 1 77 77 GLN NE2 N 15 112.297 0.01 . . . . . . A 97 GLN NE2 . 34536 1 968 . 1 . 1 78 78 TRP H H 1 8.335 0.00 . . . . . . A 98 TRP H . 34536 1 969 . 1 . 1 78 78 TRP HA H 1 4.741 0.00 . . . . . . A 98 TRP HA . 34536 1 970 . 1 . 1 78 78 TRP HB2 H 1 3.419 0.00 . . . . . . A 98 TRP HB2 . 34536 1 971 . 1 . 1 78 78 TRP HB3 H 1 3.139 0.00 . . . . . . A 98 TRP HB3 . 34536 1 972 . 1 . 1 78 78 TRP HD1 H 1 7.055 0.00 . . . . . . A 98 TRP HD1 . 34536 1 973 . 1 . 1 78 78 TRP HE1 H 1 10.521 0.00 . . . . . . A 98 TRP HE1 . 34536 1 974 . 1 . 1 78 78 TRP HE3 H 1 7.379 0.00 . . . . . . A 98 TRP HE3 . 34536 1 975 . 1 . 1 78 78 TRP HZ2 H 1 7.134 0.00 . . . . . . A 98 TRP HZ2 . 34536 1 976 . 1 . 1 78 78 TRP HZ3 H 1 6.710 0.00 . . . . . . A 98 TRP HZ3 . 34536 1 977 . 1 . 1 78 78 TRP HH2 H 1 6.849 0.00 . . . . . . A 98 TRP HH2 . 34536 1 978 . 1 . 1 78 78 TRP C C 13 179.350 0.00 . . . . . . A 98 TRP C . 34536 1 979 . 1 . 1 78 78 TRP CA C 13 57.099 0.01 . . . . . . A 98 TRP CA . 34536 1 980 . 1 . 1 78 78 TRP CB C 13 28.569 0.04 . . . . . . A 98 TRP CB . 34536 1 981 . 1 . 1 78 78 TRP CD1 C 13 123.267 0.00 . . . . . . A 98 TRP CD1 . 34536 1 982 . 1 . 1 78 78 TRP CE3 C 13 120.182 0.00 . . . . . . A 98 TRP CE3 . 34536 1 983 . 1 . 1 78 78 TRP CZ2 C 13 113.806 0.00 . . . . . . A 98 TRP CZ2 . 34536 1 984 . 1 . 1 78 78 TRP CZ3 C 13 120.058 0.00 . . . . . . A 98 TRP CZ3 . 34536 1 985 . 1 . 1 78 78 TRP CH2 C 13 123.061 0.00 . . . . . . A 98 TRP CH2 . 34536 1 986 . 1 . 1 78 78 TRP N N 15 121.766 0.01 . . . . . . A 98 TRP N . 34536 1 987 . 1 . 1 78 78 TRP NE1 N 15 128.441 0.00 . . . . . . A 98 TRP NE1 . 34536 1 988 . 1 . 1 79 79 LYS H H 1 8.306 0.00 . . . . . . A 99 LYS H . 34536 1 989 . 1 . 1 79 79 LYS HA H 1 4.184 0.00 . . . . . . A 99 LYS HA . 34536 1 990 . 1 . 1 79 79 LYS HB2 H 1 2.007 0.00 . . . . . . A 99 LYS HB2 . 34536 1 991 . 1 . 1 79 79 LYS HB3 H 1 1.961 0.00 . . . . . . A 99 LYS HB3 . 34536 1 992 . 1 . 1 79 79 LYS HG2 H 1 1.716 0.00 . . . . . . A 99 LYS HG2 . 34536 1 993 . 1 . 1 79 79 LYS HG3 H 1 1.574 0.00 . . . . . . A 99 LYS HG3 . 34536 1 994 . 1 . 1 79 79 LYS HD2 H 1 1.722 0.00 . . . . . . A 99 LYS HD2 . 34536 1 995 . 1 . 1 79 79 LYS HD3 H 1 1.722 0.00 . . . . . . A 99 LYS HD3 . 34536 1 996 . 1 . 1 79 79 LYS HE2 H 1 2.986 0.00 . . . . . . A 99 LYS HE2 . 34536 1 997 . 1 . 1 79 79 LYS HE3 H 1 2.986 0.00 . . . . . . A 99 LYS HE3 . 34536 1 998 . 1 . 1 79 79 LYS C C 13 178.209 0.00 . . . . . . A 99 LYS C . 34536 1 999 . 1 . 1 79 79 LYS CA C 13 58.873 0.02 . . . . . . A 99 LYS CA . 34536 1 1000 . 1 . 1 79 79 LYS CB C 13 32.409 0.03 . . . . . . A 99 LYS CB . 34536 1 1001 . 1 . 1 79 79 LYS CG C 13 25.718 0.03 . . . . . . A 99 LYS CG . 34536 1 1002 . 1 . 1 79 79 LYS CD C 13 29.294 0.00 . . . . . . A 99 LYS CD . 34536 1 1003 . 1 . 1 79 79 LYS CE C 13 42.219 0.03 . . . . . . A 99 LYS CE . 34536 1 1004 . 1 . 1 79 79 LYS N N 15 121.062 0.01 . . . . . . A 99 LYS N . 34536 1 1005 . 1 . 1 80 80 LYS H H 1 7.377 0.00 . . . . . . A 100 LYS H . 34536 1 1006 . 1 . 1 80 80 LYS HA H 1 4.237 0.00 . . . . . . A 100 LYS HA . 34536 1 1007 . 1 . 1 80 80 LYS HB2 H 1 2.042 0.00 . . . . . . A 100 LYS HB2 . 34536 1 1008 . 1 . 1 80 80 LYS HB3 H 1 1.927 0.00 . . . . . . A 100 LYS HB3 . 34536 1 1009 . 1 . 1 80 80 LYS HG2 H 1 1.701 0.00 . . . . . . A 100 LYS HG2 . 34536 1 1010 . 1 . 1 80 80 LYS HG3 H 1 1.520 0.00 . . . . . . A 100 LYS HG3 . 34536 1 1011 . 1 . 1 80 80 LYS HD2 H 1 1.748 0.00 . . . . . . A 100 LYS HD2 . 34536 1 1012 . 1 . 1 80 80 LYS HD3 H 1 1.748 0.00 . . . . . . A 100 LYS HD3 . 34536 1 1013 . 1 . 1 80 80 LYS HE2 H 1 3.020 0.00 . . . . . . A 100 LYS HE2 . 34536 1 1014 . 1 . 1 80 80 LYS HE3 H 1 3.020 0.00 . . . . . . A 100 LYS HE3 . 34536 1 1015 . 1 . 1 80 80 LYS C C 13 177.249 0.00 . . . . . . A 100 LYS C . 34536 1 1016 . 1 . 1 80 80 LYS CA C 13 57.265 0.00 . . . . . . A 100 LYS CA . 34536 1 1017 . 1 . 1 80 80 LYS CB C 13 32.515 0.03 . . . . . . A 100 LYS CB . 34536 1 1018 . 1 . 1 80 80 LYS CG C 13 25.328 0.03 . . . . . . A 100 LYS CG . 34536 1 1019 . 1 . 1 80 80 LYS CD C 13 29.352 0.01 . . . . . . A 100 LYS CD . 34536 1 1020 . 1 . 1 80 80 LYS CE C 13 42.239 0.02 . . . . . . A 100 LYS CE . 34536 1 1021 . 1 . 1 80 80 LYS N N 15 115.715 0.01 . . . . . . A 100 LYS N . 34536 1 1022 . 1 . 1 81 81 LEU H H 1 7.480 0.00 . . . . . . A 101 LEU H . 34536 1 1023 . 1 . 1 81 81 LEU HA H 1 4.275 0.00 . . . . . . A 101 LEU HA . 34536 1 1024 . 1 . 1 81 81 LEU HB2 H 1 1.905 0.00 . . . . . . A 101 LEU HB2 . 34536 1 1025 . 1 . 1 81 81 LEU HB3 H 1 1.454 0.00 . . . . . . A 101 LEU HB3 . 34536 1 1026 . 1 . 1 81 81 LEU HG H 1 1.923 0.00 . . . . . . A 101 LEU HG . 34536 1 1027 . 1 . 1 81 81 LEU HD11 H 1 0.832 0.00 . . . . . . A 101 LEU HD11 . 34536 1 1028 . 1 . 1 81 81 LEU HD12 H 1 0.832 0.00 . . . . . . A 101 LEU HD12 . 34536 1 1029 . 1 . 1 81 81 LEU HD13 H 1 0.832 0.00 . . . . . . A 101 LEU HD13 . 34536 1 1030 . 1 . 1 81 81 LEU HD21 H 1 0.963 0.01 . . . . . . A 101 LEU HD21 . 34536 1 1031 . 1 . 1 81 81 LEU HD22 H 1 0.963 0.01 . . . . . . A 101 LEU HD22 . 34536 1 1032 . 1 . 1 81 81 LEU HD23 H 1 0.963 0.01 . . . . . . A 101 LEU HD23 . 34536 1 1033 . 1 . 1 81 81 LEU C C 13 176.859 0.00 . . . . . . A 101 LEU C . 34536 1 1034 . 1 . 1 81 81 LEU CA C 13 55.735 0.01 . . . . . . A 101 LEU CA . 34536 1 1035 . 1 . 1 81 81 LEU CB C 13 42.603 0.02 . . . . . . A 101 LEU CB . 34536 1 1036 . 1 . 1 81 81 LEU CG C 13 26.997 0.04 . . . . . . A 101 LEU CG . 34536 1 1037 . 1 . 1 81 81 LEU CD1 C 13 25.971 0.03 . . . . . . A 101 LEU CD1 . 34536 1 1038 . 1 . 1 81 81 LEU CD2 C 13 22.770 0.03 . . . . . . A 101 LEU CD2 . 34536 1 1039 . 1 . 1 81 81 LEU N N 15 118.464 0.01 . . . . . . A 101 LEU N . 34536 1 1040 . 1 . 1 82 82 VAL H H 1 7.626 0.00 . . . . . . A 102 VAL H . 34536 1 1041 . 1 . 1 82 82 VAL HA H 1 4.447 0.00 . . . . . . A 102 VAL HA . 34536 1 1042 . 1 . 1 82 82 VAL HB H 1 2.185 0.00 . . . . . . A 102 VAL HB . 34536 1 1043 . 1 . 1 82 82 VAL HG11 H 1 1.005 0.00 . . . . . . A 102 VAL HG11 . 34536 1 1044 . 1 . 1 82 82 VAL HG12 H 1 1.005 0.00 . . . . . . A 102 VAL HG12 . 34536 1 1045 . 1 . 1 82 82 VAL HG13 H 1 1.005 0.00 . . . . . . A 102 VAL HG13 . 34536 1 1046 . 1 . 1 82 82 VAL HG21 H 1 0.978 0.00 . . . . . . A 102 VAL HG21 . 34536 1 1047 . 1 . 1 82 82 VAL HG22 H 1 0.978 0.00 . . . . . . A 102 VAL HG22 . 34536 1 1048 . 1 . 1 82 82 VAL HG23 H 1 0.978 0.00 . . . . . . A 102 VAL HG23 . 34536 1 1049 . 1 . 1 82 82 VAL C C 13 174.117 0.00 . . . . . . A 102 VAL C . 34536 1 1050 . 1 . 1 82 82 VAL CA C 13 59.668 0.02 . . . . . . A 102 VAL CA . 34536 1 1051 . 1 . 1 82 82 VAL CB C 13 32.879 0.02 . . . . . . A 102 VAL CB . 34536 1 1052 . 1 . 1 82 82 VAL CG1 C 13 21.349 0.00 . . . . . . A 102 VAL CG1 . 34536 1 1053 . 1 . 1 82 82 VAL CG2 C 13 20.373 0.01 . . . . . . A 102 VAL CG2 . 34536 1 1054 . 1 . 1 82 82 VAL N N 15 118.526 0.01 . . . . . . A 102 VAL N . 34536 1 1055 . 1 . 1 83 83 PRO HA H 1 4.478 0.00 . . . . . . A 103 PRO HA . 34536 1 1056 . 1 . 1 83 83 PRO HB2 H 1 2.322 0.00 . . . . . . A 103 PRO HB2 . 34536 1 1057 . 1 . 1 83 83 PRO HB3 H 1 1.917 0.00 . . . . . . A 103 PRO HB3 . 34536 1 1058 . 1 . 1 83 83 PRO HG2 H 1 2.093 0.00 . . . . . . A 103 PRO HG2 . 34536 1 1059 . 1 . 1 83 83 PRO HG3 H 1 2.019 0.00 . . . . . . A 103 PRO HG3 . 34536 1 1060 . 1 . 1 83 83 PRO HD2 H 1 3.920 0.00 . . . . . . A 103 PRO HD2 . 34536 1 1061 . 1 . 1 83 83 PRO HD3 H 1 3.721 0.00 . . . . . . A 103 PRO HD3 . 34536 1 1062 . 1 . 1 83 83 PRO C C 13 176.821 0.00 . . . . . . A 103 PRO C . 34536 1 1063 . 1 . 1 83 83 PRO CA C 13 63.228 0.03 . . . . . . A 103 PRO CA . 34536 1 1064 . 1 . 1 83 83 PRO CB C 13 32.140 0.02 . . . . . . A 103 PRO CB . 34536 1 1065 . 1 . 1 83 83 PRO CG C 13 27.542 0.01 . . . . . . A 103 PRO CG . 34536 1 1066 . 1 . 1 83 83 PRO CD C 13 51.048 0.02 . . . . . . A 103 PRO CD . 34536 1 1067 . 1 . 1 84 84 VAL H H 1 8.246 0.00 . . . . . . A 104 VAL H . 34536 1 1068 . 1 . 1 84 84 VAL HA H 1 4.074 0.00 . . . . . . A 104 VAL HA . 34536 1 1069 . 1 . 1 84 84 VAL HB H 1 2.065 0.00 . . . . . . A 104 VAL HB . 34536 1 1070 . 1 . 1 84 84 VAL HG11 H 1 0.972 0.00 . . . . . . A 104 VAL HG11 . 34536 1 1071 . 1 . 1 84 84 VAL HG12 H 1 0.972 0.00 . . . . . . A 104 VAL HG12 . 34536 1 1072 . 1 . 1 84 84 VAL HG13 H 1 0.972 0.00 . . . . . . A 104 VAL HG13 . 34536 1 1073 . 1 . 1 84 84 VAL HG21 H 1 1.008 0.00 . . . . . . A 104 VAL HG21 . 34536 1 1074 . 1 . 1 84 84 VAL HG22 H 1 1.008 0.00 . . . . . . A 104 VAL HG22 . 34536 1 1075 . 1 . 1 84 84 VAL HG23 H 1 1.008 0.00 . . . . . . A 104 VAL HG23 . 34536 1 1076 . 1 . 1 84 84 VAL C C 13 176.310 0.00 . . . . . . A 104 VAL C . 34536 1 1077 . 1 . 1 84 84 VAL CA C 13 62.491 0.00 . . . . . . A 104 VAL CA . 34536 1 1078 . 1 . 1 84 84 VAL CB C 13 32.880 0.04 . . . . . . A 104 VAL CB . 34536 1 1079 . 1 . 1 84 84 VAL CG1 C 13 21.241 0.01 . . . . . . A 104 VAL CG1 . 34536 1 1080 . 1 . 1 84 84 VAL CG2 C 13 20.821 0.01 . . . . . . A 104 VAL CG2 . 34536 1 1081 . 1 . 1 84 84 VAL N N 15 120.852 0.00 . . . . . . A 104 VAL N . 34536 1 1082 . 1 . 1 85 85 GLU H H 1 8.531 0.00 . . . . . . A 105 GLU H . 34536 1 1083 . 1 . 1 85 85 GLU HA H 1 4.299 0.00 . . . . . . A 105 GLU HA . 34536 1 1084 . 1 . 1 85 85 GLU HB2 H 1 2.032 0.00 . . . . . . A 105 GLU HB2 . 34536 1 1085 . 1 . 1 85 85 GLU HB3 H 1 1.942 0.00 . . . . . . A 105 GLU HB3 . 34536 1 1086 . 1 . 1 85 85 GLU HG2 H 1 2.282 0.00 . . . . . . A 105 GLU HG2 . 34536 1 1087 . 1 . 1 85 85 GLU HG3 H 1 2.256 0.00 . . . . . . A 105 GLU HG3 . 34536 1 1088 . 1 . 1 85 85 GLU C C 13 176.337 0.00 . . . . . . A 105 GLU C . 34536 1 1089 . 1 . 1 85 85 GLU CA C 13 56.535 0.04 . . . . . . A 105 GLU CA . 34536 1 1090 . 1 . 1 85 85 GLU CB C 13 30.288 0.03 . . . . . . A 105 GLU CB . 34536 1 1091 . 1 . 1 85 85 GLU CG C 13 36.318 0.04 . . . . . . A 105 GLU CG . 34536 1 1092 . 1 . 1 85 85 GLU N N 15 125.059 0.01 . . . . . . A 105 GLU N . 34536 1 1093 . 1 . 1 86 86 ARG H H 1 8.439 0.00 . . . . . . A 106 ARG H . 34536 1 1094 . 1 . 1 86 86 ARG HA H 1 4.335 0.00 . . . . . . A 106 ARG HA . 34536 1 1095 . 1 . 1 86 86 ARG HB2 H 1 1.846 0.00 . . . . . . A 106 ARG HB2 . 34536 1 1096 . 1 . 1 86 86 ARG HB3 H 1 1.759 0.00 . . . . . . A 106 ARG HB3 . 34536 1 1097 . 1 . 1 86 86 ARG HG2 H 1 1.655 0.00 . . . . . . A 106 ARG HG2 . 34536 1 1098 . 1 . 1 86 86 ARG HG3 H 1 1.620 0.00 . . . . . . A 106 ARG HG3 . 34536 1 1099 . 1 . 1 86 86 ARG HD2 H 1 3.217 0.00 . . . . . . A 106 ARG HD2 . 34536 1 1100 . 1 . 1 86 86 ARG HD3 H 1 3.217 0.00 . . . . . . A 106 ARG HD3 . 34536 1 1101 . 1 . 1 86 86 ARG C C 13 176.036 0.00 . . . . . . A 106 ARG C . 34536 1 1102 . 1 . 1 86 86 ARG CA C 13 56.133 0.03 . . . . . . A 106 ARG CA . 34536 1 1103 . 1 . 1 86 86 ARG CB C 13 30.844 0.01 . . . . . . A 106 ARG CB . 34536 1 1104 . 1 . 1 86 86 ARG CG C 13 27.154 0.04 . . . . . . A 106 ARG CG . 34536 1 1105 . 1 . 1 86 86 ARG CD C 13 43.371 0.00 . . . . . . A 106 ARG CD . 34536 1 1106 . 1 . 1 86 86 ARG N N 15 122.922 0.01 . . . . . . A 106 ARG N . 34536 1 1107 . 1 . 1 87 87 ASN H H 1 8.568 0.00 . . . . . . A 107 ASN H . 34536 1 1108 . 1 . 1 87 87 ASN HA H 1 4.699 0.00 . . . . . . A 107 ASN HA . 34536 1 1109 . 1 . 1 87 87 ASN HB2 H 1 2.849 0.00 . . . . . . A 107 ASN HB2 . 34536 1 1110 . 1 . 1 87 87 ASN HB3 H 1 2.767 0.00 . . . . . . A 107 ASN HB3 . 34536 1 1111 . 1 . 1 87 87 ASN HD21 H 1 7.628 0.00 . . . . . . A 107 ASN HD21 . 34536 1 1112 . 1 . 1 87 87 ASN HD22 H 1 6.952 0.00 . . . . . . A 107 ASN HD22 . 34536 1 1113 . 1 . 1 87 87 ASN C C 13 175.002 0.00 . . . . . . A 107 ASN C . 34536 1 1114 . 1 . 1 87 87 ASN CA C 13 53.255 0.01 . . . . . . A 107 ASN CA . 34536 1 1115 . 1 . 1 87 87 ASN CB C 13 38.965 0.02 . . . . . . A 107 ASN CB . 34536 1 1116 . 1 . 1 87 87 ASN N N 15 120.320 0.01 . . . . . . A 107 ASN N . 34536 1 1117 . 1 . 1 87 87 ASN ND2 N 15 113.059 0.01 . . . . . . A 107 ASN ND2 . 34536 1 1118 . 1 . 1 88 88 ALA H H 1 8.376 0.00 . . . . . . A 108 ALA H . 34536 1 1119 . 1 . 1 88 88 ALA HA H 1 4.341 0.00 . . . . . . A 108 ALA HA . 34536 1 1120 . 1 . 1 88 88 ALA HB1 H 1 1.423 0.00 . . . . . . A 108 ALA HB1 . 34536 1 1121 . 1 . 1 88 88 ALA HB2 H 1 1.423 0.00 . . . . . . A 108 ALA HB2 . 34536 1 1122 . 1 . 1 88 88 ALA HB3 H 1 1.423 0.00 . . . . . . A 108 ALA HB3 . 34536 1 1123 . 1 . 1 88 88 ALA C C 13 178.166 0.00 . . . . . . A 108 ALA C . 34536 1 1124 . 1 . 1 88 88 ALA CA C 13 52.940 0.04 . . . . . . A 108 ALA CA . 34536 1 1125 . 1 . 1 88 88 ALA CB C 13 19.230 0.02 . . . . . . A 108 ALA CB . 34536 1 1126 . 1 . 1 88 88 ALA N N 15 124.835 0.01 . . . . . . A 108 ALA N . 34536 1 1127 . 1 . 1 89 89 GLY H H 1 8.427 0.00 . . . . . . A 109 GLY H . 34536 1 1128 . 1 . 1 89 89 GLY HA2 H 1 3.992 0.00 . . . . . . A 109 GLY HA2 . 34536 1 1129 . 1 . 1 89 89 GLY HA3 H 1 3.992 0.00 . . . . . . A 109 GLY HA3 . 34536 1 1130 . 1 . 1 89 89 GLY C C 13 173.528 0.00 . . . . . . A 109 GLY C . 34536 1 1131 . 1 . 1 89 89 GLY CA C 13 45.385 0.00 . . . . . . A 109 GLY CA . 34536 1 1132 . 1 . 1 89 89 GLY N N 15 108.849 0.00 . . . . . . A 109 GLY N . 34536 1 1133 . 1 . 1 90 90 SER H H 1 7.859 0.00 . . . . . . A 110 SER H . 34536 1 1134 . 1 . 1 90 90 SER HA H 1 4.312 0.01 . . . . . . A 110 SER HA . 34536 1 1135 . 1 . 1 90 90 SER HB2 H 1 3.880 0.00 . . . . . . A 110 SER HB2 . 34536 1 1136 . 1 . 1 90 90 SER HB3 H 1 3.880 0.00 . . . . . . A 110 SER HB3 . 34536 1 1137 . 1 . 1 90 90 SER C C 13 178.776 0.00 . . . . . . A 110 SER C . 34536 1 1138 . 1 . 1 90 90 SER CA C 13 59.966 0.01 . . . . . . A 110 SER CA . 34536 1 1139 . 1 . 1 90 90 SER CB C 13 65.004 0.01 . . . . . . A 110 SER CB . 34536 1 1140 . 1 . 1 90 90 SER N N 15 121.226 0.00 . . . . . . A 110 SER N . 34536 1 stop_ save_