data_6484 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6484 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for S100A13 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-02-03 _Entry.Accession_date 2005-02-03 _Entry.Last_release_date 2006-02-17 _Entry.Original_release_date 2006-02-17 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Sivaraja Vaithiyalingam . . . 6484 2 'Suresh Kumar' Thallapuranam . Krishnaswamy . 6484 3 Yu Chin . . . 6484 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6484 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 689 6484 '13C chemical shifts' 424 6484 '15N chemical shifts' 100 6484 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2006-02-17 2005-02-02 original author . 6484 stop_ save_ ############### # Citations # ############### save_citation _Citation.Sf_category citations _Citation.Sf_framecode citation _Citation.Entry_ID 6484 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Resonance Assignments for Mouse S100A13' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 32 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 257 _Citation.Page_last 257 _Citation.Year 2005 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Vaithiyalingam Sivaraja . . . 6484 1 2 Thallapuranam 'Suresh Kumar' . K. . 6484 1 3 Chin Yu . . . 6484 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NMR 6484 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6484 _Assembly.ID 1 _Assembly.Name S100A13 _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 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6484 1 stop_ 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 S100A13 1 $S100A13 . . . native . . . . . 6484 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID S100A13 system 6484 1 S100A13 abbreviation 6484 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_S100A13 _Entity.Sf_category entity _Entity.Sf_framecode S100A13 _Entity.Entry_ID 6484 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name S100A13 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; LVLMAAETLTELEAAIETVV STFFTFAGREGRKGSLNINE FKELATQQLPHLLKDVGSLD EKMKTLDVNQDSELRFSEYW RLIGELAKEVRKEKALGIRK K ; _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 . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 101 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11484 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2CXJ . "3d Solution Structure Of S100a13" . . . . . 97.03 98 100.00 100.00 1.86e-62 . . . . 6484 1 2 no DBJ BAB22332 . "unnamed protein product [Mus musculus]" . . . . . 97.03 98 100.00 100.00 1.86e-62 . . . . 6484 1 3 no DBJ BAB25958 . "unnamed protein product [Mus musculus]" . . . . . 97.03 98 100.00 100.00 1.86e-62 . . . . 6484 1 4 no EMBL CAA68189 . "S100 calcium-binding protein A13 [Mus musculus]" . . . . . 97.03 98 100.00 100.00 1.86e-62 . . . . 6484 1 5 no GB AAH05687 . "S100 calcium binding protein A13 [Mus musculus]" . . . . . 97.03 98 100.00 100.00 1.86e-62 . . . . 6484 1 6 no GB EDL15124 . "S100 calcium binding protein A13 [Mus musculus]" . . . . . 97.03 98 100.00 100.00 1.86e-62 . . . . 6484 1 7 no REF NP_033139 . "protein S100-A13 [Mus musculus]" . . . . . 99.01 160 99.00 100.00 9.46e-63 . . . . 6484 1 8 no REF XP_006501233 . "PREDICTED: protein S100-A13 isoform X1 [Mus musculus]" . . . . . 99.01 241 99.00 100.00 2.66e-62 . . . . 6484 1 9 no SP P97352 . "RecName: Full=Protein S100-A13; AltName: Full=S100 calcium-binding protein A13 [Mus musculus]" . . . . . 97.03 98 100.00 100.00 1.86e-62 . . . . 6484 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID tumor 6484 1 angiogensis 6484 1 transport 6484 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID S100A13 common 6484 1 S100A13 variant 6484 1 S100A13 abbreviation 6484 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 -3 LEU . 6484 1 2 -2 VAL . 6484 1 3 -1 LEU . 6484 1 4 1 MET . 6484 1 5 2 ALA . 6484 1 6 3 ALA . 6484 1 7 4 GLU . 6484 1 8 5 THR . 6484 1 9 6 LEU . 6484 1 10 7 THR . 6484 1 11 8 GLU . 6484 1 12 9 LEU . 6484 1 13 10 GLU . 6484 1 14 11 ALA . 6484 1 15 12 ALA . 6484 1 16 13 ILE . 6484 1 17 14 GLU . 6484 1 18 15 THR . 6484 1 19 16 VAL . 6484 1 20 17 VAL . 6484 1 21 18 SER . 6484 1 22 19 THR . 6484 1 23 20 PHE . 6484 1 24 21 PHE . 6484 1 25 22 THR . 6484 1 26 23 PHE . 6484 1 27 24 ALA . 6484 1 28 25 GLY . 6484 1 29 26 ARG . 6484 1 30 27 GLU . 6484 1 31 28 GLY . 6484 1 32 29 ARG . 6484 1 33 30 LYS . 6484 1 34 31 GLY . 6484 1 35 32 SER . 6484 1 36 33 LEU . 6484 1 37 34 ASN . 6484 1 38 35 ILE . 6484 1 39 36 ASN . 6484 1 40 37 GLU . 6484 1 41 38 PHE . 6484 1 42 39 LYS . 6484 1 43 40 GLU . 6484 1 44 41 LEU . 6484 1 45 42 ALA . 6484 1 46 43 THR . 6484 1 47 44 GLN . 6484 1 48 45 GLN . 6484 1 49 46 LEU . 6484 1 50 47 PRO . 6484 1 51 48 HIS . 6484 1 52 49 LEU . 6484 1 53 50 LEU . 6484 1 54 51 LYS . 6484 1 55 52 ASP . 6484 1 56 53 VAL . 6484 1 57 54 GLY . 6484 1 58 55 SER . 6484 1 59 56 LEU . 6484 1 60 57 ASP . 6484 1 61 58 GLU . 6484 1 62 59 LYS . 6484 1 63 60 MET . 6484 1 64 61 LYS . 6484 1 65 62 THR . 6484 1 66 63 LEU . 6484 1 67 64 ASP . 6484 1 68 65 VAL . 6484 1 69 66 ASN . 6484 1 70 67 GLN . 6484 1 71 68 ASP . 6484 1 72 69 SER . 6484 1 73 70 GLU . 6484 1 74 71 LEU . 6484 1 75 72 ARG . 6484 1 76 73 PHE . 6484 1 77 74 SER . 6484 1 78 75 GLU . 6484 1 79 76 TYR . 6484 1 80 77 TRP . 6484 1 81 78 ARG . 6484 1 82 79 LEU . 6484 1 83 80 ILE . 6484 1 84 81 GLY . 6484 1 85 82 GLU . 6484 1 86 83 LEU . 6484 1 87 84 ALA . 6484 1 88 85 LYS . 6484 1 89 86 GLU . 6484 1 90 87 VAL . 6484 1 91 88 ARG . 6484 1 92 89 LYS . 6484 1 93 90 GLU . 6484 1 94 91 LYS . 6484 1 95 92 ALA . 6484 1 96 93 LEU . 6484 1 97 94 GLY . 6484 1 98 95 ILE . 6484 1 99 96 ARG . 6484 1 100 97 LYS . 6484 1 101 98 LYS . 6484 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 . LEU 1 1 6484 1 . VAL 2 2 6484 1 . LEU 3 3 6484 1 . MET 4 4 6484 1 . ALA 5 5 6484 1 . ALA 6 6 6484 1 . GLU 7 7 6484 1 . THR 8 8 6484 1 . LEU 9 9 6484 1 . THR 10 10 6484 1 . GLU 11 11 6484 1 . LEU 12 12 6484 1 . GLU 13 13 6484 1 . ALA 14 14 6484 1 . ALA 15 15 6484 1 . ILE 16 16 6484 1 . GLU 17 17 6484 1 . THR 18 18 6484 1 . VAL 19 19 6484 1 . VAL 20 20 6484 1 . SER 21 21 6484 1 . THR 22 22 6484 1 . PHE 23 23 6484 1 . PHE 24 24 6484 1 . THR 25 25 6484 1 . PHE 26 26 6484 1 . ALA 27 27 6484 1 . GLY 28 28 6484 1 . ARG 29 29 6484 1 . GLU 30 30 6484 1 . GLY 31 31 6484 1 . ARG 32 32 6484 1 . LYS 33 33 6484 1 . GLY 34 34 6484 1 . SER 35 35 6484 1 . LEU 36 36 6484 1 . ASN 37 37 6484 1 . ILE 38 38 6484 1 . ASN 39 39 6484 1 . GLU 40 40 6484 1 . PHE 41 41 6484 1 . LYS 42 42 6484 1 . GLU 43 43 6484 1 . LEU 44 44 6484 1 . ALA 45 45 6484 1 . THR 46 46 6484 1 . GLN 47 47 6484 1 . GLN 48 48 6484 1 . LEU 49 49 6484 1 . PRO 50 50 6484 1 . HIS 51 51 6484 1 . LEU 52 52 6484 1 . LEU 53 53 6484 1 . LYS 54 54 6484 1 . ASP 55 55 6484 1 . VAL 56 56 6484 1 . GLY 57 57 6484 1 . SER 58 58 6484 1 . LEU 59 59 6484 1 . ASP 60 60 6484 1 . GLU 61 61 6484 1 . LYS 62 62 6484 1 . MET 63 63 6484 1 . LYS 64 64 6484 1 . THR 65 65 6484 1 . LEU 66 66 6484 1 . ASP 67 67 6484 1 . VAL 68 68 6484 1 . ASN 69 69 6484 1 . GLN 70 70 6484 1 . ASP 71 71 6484 1 . SER 72 72 6484 1 . GLU 73 73 6484 1 . LEU 74 74 6484 1 . ARG 75 75 6484 1 . PHE 76 76 6484 1 . SER 77 77 6484 1 . GLU 78 78 6484 1 . TYR 79 79 6484 1 . TRP 80 80 6484 1 . ARG 81 81 6484 1 . LEU 82 82 6484 1 . ILE 83 83 6484 1 . GLY 84 84 6484 1 . GLU 85 85 6484 1 . LEU 86 86 6484 1 . ALA 87 87 6484 1 . LYS 88 88 6484 1 . GLU 89 89 6484 1 . VAL 90 90 6484 1 . ARG 91 91 6484 1 . LYS 92 92 6484 1 . GLU 93 93 6484 1 . LYS 94 94 6484 1 . ALA 95 95 6484 1 . LEU 96 96 6484 1 . GLY 97 97 6484 1 . ILE 98 98 6484 1 . ARG 99 99 6484 1 . LYS 100 100 6484 1 . LYS 101 101 6484 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 6484 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $S100A13 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 6484 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 6484 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $S100A13 . 'recombinant technology' . 'Escherichia coli' . . . . . . . . . . . . . . . . . . . . . . . . . . . 6484 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6484 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 S100A13 '[U-95% 13C; U-90% 15N]' . . . . . . 0.75 0.3 0.75 mM . . . . 6484 1 2 KCl . . . . . . . 25 . . mM . . . . 6484 1 3 'Tris HCl(Deutrated)' . . . . . . . 25 . . mM . . . . 6484 1 4 Calcium . . . . . . . 2 . . mM . . . . 6484 1 5 NaN . . . . . . . 0.3 . . mM . . . . 6484 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6484 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH . . pH 6484 1 temperature 298 0.2 K 6484 1 stop_ save_ ############################ # Computer software used # ############################ save_XWIN-NMR _Software.Sf_category software _Software.Sf_framecode XWIN-NMR _Software.Entry_ID 6484 _Software.ID 1 _Software.Name XWIN-NMR _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker USA . 6484 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak assignments' 6484 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer _NMR_spectrometer.Entry_ID 6484 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Bruker 700 MHz equipped with a cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6484 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer Bruker Avance . 700 'Bruker 700 MHz equipped with a cryoprobe' . . 6484 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 6484 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '1H15N HSQC' . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer . . . . . . . . . . . . . . . . 6484 1 2 1H-NOESY . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer . . . . . . . . . . . . . . . . 6484 1 3 1H-DIPSY . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer . . . . . . . . . . . . . . . . 6484 1 4 HNCA . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer . . . . . . . . . . . . . . . . 6484 1 5 HNCOCA . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer . . . . . . . . . . . . . . . . 6484 1 6 HNCACB . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer . . . . . . . . . . . . . . . . 6484 1 7 CBCACONH . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer . . . . . . . . . . . . . . . . 6484 1 8 HNCO . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer . . . . . . . . . . . . . . . . 6484 1 9 HNCACO . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer . . . . . . . . . . . . . . . . 6484 1 10 HBHACONH . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer . . . . . . . . . . . . . . . . 6484 1 11 'CC(CO)NH-TOCSY -1H' . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer . . . . . . . . . . . . . . . . 6484 1 12 CC(CO)NH-TOCSY-13C . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer . . . . . . . . . . . . . . . . 6484 1 13 HNHA . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer . . . . . . . . . . . . . . . . 6484 1 14 '15 HSQC-NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer . . . . . . . . . . . . . . . . 6484 1 15 '13C HSQC-NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer . . . . . . . . . . . . . . . . 6484 1 16 HCCH-TOCSY . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer . . . . . . . . . . . . . . . . 6484 1 17 '15N HSQC-DIPSY' . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer . . . . . . . . . . . . . . . . 6484 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 6484 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XWIN-NMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6484 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name 1H-NOESY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XWIN-NMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6484 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name 1H-DIPSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XWIN-NMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6484 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XWIN-NMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6484 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCOCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XWIN-NMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 6484 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XWIN-NMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 6484 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name CBCACONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XWIN-NMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 6484 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XWIN-NMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 6484 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name HNCACO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XWIN-NMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 6484 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name HBHACONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XWIN-NMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 6484 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name 'CC(CO)NH-TOCSY -1H' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XWIN-NMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 6484 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name CC(CO)NH-TOCSY-13C _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XWIN-NMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_13 _NMR_spec_expt.Entry_ID 6484 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name HNHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XWIN-NMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_14 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_14 _NMR_spec_expt.Entry_ID 6484 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name '15 HSQC-NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XWIN-NMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_15 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_15 _NMR_spec_expt.Entry_ID 6484 _NMR_spec_expt.ID 15 _NMR_spec_expt.Name '13C HSQC-NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XWIN-NMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_16 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_16 _NMR_spec_expt.Entry_ID 6484 _NMR_spec_expt.ID 16 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XWIN-NMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_17 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_17 _NMR_spec_expt.Entry_ID 6484 _NMR_spec_expt.ID 17 _NMR_spec_expt.Name '15N HSQC-DIPSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XWIN-NMR _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6484 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 TSP 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $citation . . 1 $citation 6484 1 N 15 . . . . . . ppm . . . . . . . 1 $citation . . 1 $citation 6484 1 C 13 . . . . . . ppm . . . . . . . 1 $citation . . 1 $citation 6484 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6484 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 $sample_1 . 6484 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 LEU H H 1 8.25 0.01 . 1 . . . . . . . . 6484 1 2 . 1 1 1 1 LEU HA H 1 4.28 0.01 . 1 . . . . . . . . 6484 1 3 . 1 1 1 1 LEU HB2 H 1 1.52 0.01 . 1 . . . . . . . . 6484 1 4 . 1 1 1 1 LEU HB3 H 1 1.52 0.01 . 1 . . . . . . . . 6484 1 5 . 1 1 1 1 LEU HD11 H 1 0.79 0.01 . 1 . . . . . . . . 6484 1 6 . 1 1 1 1 LEU HD12 H 1 0.79 0.01 . 1 . . . . . . . . 6484 1 7 . 1 1 1 1 LEU HD13 H 1 0.79 0.01 . 1 . . . . . . . . 6484 1 8 . 1 1 1 1 LEU HD21 H 1 0.79 0.01 . 1 . . . . . . . . 6484 1 9 . 1 1 1 1 LEU HD22 H 1 0.79 0.01 . 1 . . . . . . . . 6484 1 10 . 1 1 1 1 LEU HD23 H 1 0.79 0.01 . 1 . . . . . . . . 6484 1 11 . 1 1 1 1 LEU C C 13 173.10 0.2 . 1 . . . . . . . . 6484 1 12 . 1 1 1 1 LEU CA C 13 52.60 0.2 . 1 . . . . . . . . 6484 1 13 . 1 1 1 1 LEU CB C 13 39.33 0.2 . 1 . . . . . . . . 6484 1 14 . 1 1 1 1 LEU CG C 13 25.10 0.2 . 1 . . . . . . . . 6484 1 15 . 1 1 1 1 LEU CD1 C 13 21.90 0.2 . 1 . . . . . . . . 6484 1 16 . 1 1 1 1 LEU CD2 C 13 21.34 0.2 . 1 . . . . . . . . 6484 1 17 . 1 1 1 1 LEU N N 15 125.30 0.2 . 1 . . . . . . . . 6484 1 18 . 1 1 2 2 VAL H H 1 8.01 0.01 . 1 . . . . . . . . 6484 1 19 . 1 1 2 2 VAL HA H 1 3.94 0.01 . 1 . . . . . . . . 6484 1 20 . 1 1 2 2 VAL HB H 1 1.94 0.01 . 1 . . . . . . . . 6484 1 21 . 1 1 2 2 VAL HG11 H 1 0.82 0.01 . 1 . . . . . . . . 6484 1 22 . 1 1 2 2 VAL HG12 H 1 0.82 0.01 . 1 . . . . . . . . 6484 1 23 . 1 1 2 2 VAL HG13 H 1 0.82 0.01 . 1 . . . . . . . . 6484 1 24 . 1 1 2 2 VAL HG21 H 1 0.82 0.01 . 1 . . . . . . . . 6484 1 25 . 1 1 2 2 VAL HG22 H 1 0.82 0.01 . 1 . . . . . . . . 6484 1 26 . 1 1 2 2 VAL HG23 H 1 0.82 0.01 . 1 . . . . . . . . 6484 1 27 . 1 1 2 2 VAL C C 13 174.30 0.2 . 1 . . . . . . . . 6484 1 28 . 1 1 2 2 VAL CA C 13 59.87 0.2 . 1 . . . . . . . . 6484 1 29 . 1 1 2 2 VAL CB C 13 29.76 0.2 . 1 . . . . . . . . 6484 1 30 . 1 1 2 2 VAL N N 15 122.30 0.2 . 1 . . . . . . . . 6484 1 31 . 1 1 3 3 LEU H H 1 8.22 0.01 . 1 . . . . . . . . 6484 1 32 . 1 1 3 3 LEU HA H 1 4.14 0.01 . 1 . . . . . . . . 6484 1 33 . 1 1 3 3 LEU HB2 H 1 1.51 0.01 . 1 . . . . . . . . 6484 1 34 . 1 1 3 3 LEU HB3 H 1 1.51 0.01 . 1 . . . . . . . . 6484 1 35 . 1 1 3 3 LEU HG H 1 1.4 0.01 . 1 . . . . . . . . 6484 1 36 . 1 1 3 3 LEU HD11 H 1 0.81 0.01 . 1 . . . . . . . . 6484 1 37 . 1 1 3 3 LEU HD12 H 1 0.81 0.01 . 1 . . . . . . . . 6484 1 38 . 1 1 3 3 LEU HD13 H 1 0.81 0.01 . 1 . . . . . . . . 6484 1 39 . 1 1 3 3 LEU HD21 H 1 0.81 0.01 . 1 . . . . . . . . 6484 1 40 . 1 1 3 3 LEU HD22 H 1 0.81 0.01 . 1 . . . . . . . . 6484 1 41 . 1 1 3 3 LEU HD23 H 1 0.81 0.01 . 1 . . . . . . . . 6484 1 42 . 1 1 3 3 LEU C C 13 173.20 0.2 . 1 . . . . . . . . 6484 1 43 . 1 1 3 3 LEU CA C 13 52.48 0.2 . 1 . . . . . . . . 6484 1 44 . 1 1 3 3 LEU CB C 13 39.64 0.2 . 1 . . . . . . . . 6484 1 45 . 1 1 3 3 LEU CG C 13 25.10 0.2 . 1 . . . . . . . . 6484 1 46 . 1 1 3 3 LEU CD1 C 13 24.26 0.2 . 1 . . . . . . . . 6484 1 47 . 1 1 3 3 LEU CD2 C 13 24.26 0.2 . 1 . . . . . . . . 6484 1 48 . 1 1 3 3 LEU N N 15 126.20 0.2 . 1 . . . . . . . . 6484 1 49 . 1 1 4 4 MET H H 1 8.36 0.01 . 1 . . . . . . . . 6484 1 50 . 1 1 4 4 MET HA H 1 4.34 0.01 . 1 . . . . . . . . 6484 1 51 . 1 1 4 4 MET HB2 H 1 1.92 0.01 . 1 . . . . . . . . 6484 1 52 . 1 1 4 4 MET HB3 H 1 1.92 0.01 . 1 . . . . . . . . 6484 1 53 . 1 1 4 4 MET HG2 H 1 2.48 0.01 . 1 . . . . . . . . 6484 1 54 . 1 1 4 4 MET HG3 H 1 2.48 0.01 . 1 . . . . . . . . 6484 1 55 . 1 1 4 4 MET C C 13 173.30 0.2 . 1 . . . . . . . . 6484 1 56 . 1 1 4 4 MET CA C 13 52.66 0.2 . 1 . . . . . . . . 6484 1 57 . 1 1 4 4 MET CB C 13 30.18 0.2 . 1 . . . . . . . . 6484 1 58 . 1 1 4 4 MET CG C 13 28.93 0.2 . 1 . . . . . . . . 6484 1 59 . 1 1 4 4 MET N N 15 121.30 0.2 . 1 . . . . . . . . 6484 1 60 . 1 1 5 5 ALA H H 1 8.2 0.01 . 1 . . . . . . . . 6484 1 61 . 1 1 5 5 ALA HA H 1 4.14 0.01 . 1 . . . . . . . . 6484 1 62 . 1 1 5 5 ALA HB1 H 1 1.3 0.01 . 1 . . . . . . . . 6484 1 63 . 1 1 5 5 ALA HB2 H 1 1.3 0.01 . 1 . . . . . . . . 6484 1 64 . 1 1 5 5 ALA HB3 H 1 1.3 0.01 . 1 . . . . . . . . 6484 1 65 . 1 1 5 5 ALA C C 13 174.80 0.2 . 1 . . . . . . . . 6484 1 66 . 1 1 5 5 ALA CA C 13 50.00 0.2 . 1 . . . . . . . . 6484 1 67 . 1 1 5 5 ALA CB C 13 16.25 0.2 . 1 . . . . . . . . 6484 1 68 . 1 1 5 5 ALA N N 15 125.10 0.2 . 1 . . . . . . . . 6484 1 69 . 1 1 6 6 ALA H H 1 8.23 0.01 . 1 . . . . . . . . 6484 1 70 . 1 1 6 6 ALA HA H 1 4.28 0.01 . 1 . . . . . . . . 6484 1 71 . 1 1 6 6 ALA HB1 H 1 1.33 0.01 . 1 . . . . . . . . 6484 1 72 . 1 1 6 6 ALA HB2 H 1 1.33 0.01 . 1 . . . . . . . . 6484 1 73 . 1 1 6 6 ALA HB3 H 1 1.33 0.01 . 1 . . . . . . . . 6484 1 74 . 1 1 6 6 ALA C C 13 175.10 0.2 . 1 . . . . . . . . 6484 1 75 . 1 1 6 6 ALA CA C 13 50.07 0.2 . 1 . . . . . . . . 6484 1 76 . 1 1 6 6 ALA CB C 13 16.67 0.2 . 1 . . . . . . . . 6484 1 77 . 1 1 6 6 ALA N N 15 122.90 0.2 . 1 . . . . . . . . 6484 1 78 . 1 1 7 7 GLU H H 1 8.28 0.01 . 1 . . . . . . . . 6484 1 79 . 1 1 7 7 GLU HA H 1 4.23 0.01 . 1 . . . . . . . . 6484 1 80 . 1 1 7 7 GLU HB2 H 1 1.8 0.01 . 1 . . . . . . . . 6484 1 81 . 1 1 7 7 GLU HB3 H 1 1.8 0.01 . 1 . . . . . . . . 6484 1 82 . 1 1 7 7 GLU HG2 H 1 2.16 0.01 . 1 . . . . . . . . 6484 1 83 . 1 1 7 7 GLU HG3 H 1 2.16 0.01 . 1 . . . . . . . . 6484 1 84 . 1 1 7 7 GLU C C 13 173.30 0.2 . 1 . . . . . . . . 6484 1 85 . 1 1 7 7 GLU CA C 13 53.72 0.2 . 1 . . . . . . . . 6484 1 86 . 1 1 7 7 GLU CB C 13 27.48 0.2 . 1 . . . . . . . . 6484 1 87 . 1 1 7 7 GLU CG C 13 33.49 0.2 . 1 . . . . . . . . 6484 1 88 . 1 1 7 7 GLU N N 15 119.40 0.2 . 1 . . . . . . . . 6484 1 89 . 1 1 8 8 THR H H 1 7.93 0.01 . 1 . . . . . . . . 6484 1 90 . 1 1 8 8 THR HA H 1 4.08 0.01 . 1 . . . . . . . . 6484 1 91 . 1 1 8 8 THR HB H 1 4.62 0.01 . 1 . . . . . . . . 6484 1 92 . 1 1 8 8 THR HG21 H 1 1.13 0.01 . 1 . . . . . . . . 6484 1 93 . 1 1 8 8 THR HG22 H 1 1.13 0.01 . 1 . . . . . . . . 6484 1 94 . 1 1 8 8 THR HG23 H 1 1.13 0.01 . 1 . . . . . . . . 6484 1 95 . 1 1 8 8 THR C C 13 174.90 0.2 . 1 . . . . . . . . 6484 1 96 . 1 1 8 8 THR CA C 13 59.01 0.2 . 1 . . . . . . . . 6484 1 97 . 1 1 8 8 THR CB C 13 67.03 0.2 . 1 . . . . . . . . 6484 1 98 . 1 1 8 8 THR CG2 C 13 18.72 0.2 . 1 . . . . . . . . 6484 1 99 . 1 1 8 8 THR N N 15 115.50 0.2 . 1 . . . . . . . . 6484 1 100 . 1 1 9 9 LEU H H 1 8.08 0.01 . 1 . . . . . . . . 6484 1 101 . 1 1 9 9 LEU HA H 1 4.38 0.01 . 1 . . . . . . . . 6484 1 102 . 1 1 9 9 LEU HB2 H 1 1.67 0.01 . 1 . . . . . . . . 6484 1 103 . 1 1 9 9 LEU HB3 H 1 1.67 0.01 . 1 . . . . . . . . 6484 1 104 . 1 1 9 9 LEU HG H 1 0.74 0.01 . 1 . . . . . . . . 6484 1 105 . 1 1 9 9 LEU HD11 H 1 0.56 0.01 . 1 . . . . . . . . 6484 1 106 . 1 1 9 9 LEU HD12 H 1 0.56 0.01 . 1 . . . . . . . . 6484 1 107 . 1 1 9 9 LEU HD13 H 1 0.56 0.01 . 1 . . . . . . . . 6484 1 108 . 1 1 9 9 LEU HD21 H 1 0.56 0.01 . 1 . . . . . . . . 6484 1 109 . 1 1 9 9 LEU HD22 H 1 0.56 0.01 . 1 . . . . . . . . 6484 1 110 . 1 1 9 9 LEU HD23 H 1 0.56 0.01 . 1 . . . . . . . . 6484 1 111 . 1 1 9 9 LEU C C 13 176.00 0.2 . 1 . . . . . . . . 6484 1 112 . 1 1 9 9 LEU CA C 13 52.13 0.2 . 1 . . . . . . . . 6484 1 113 . 1 1 9 9 LEU CB C 13 40.22 0.2 . 1 . . . . . . . . 6484 1 114 . 1 1 9 9 LEU CG C 13 23.81 0.2 . 1 . . . . . . . . 6484 1 115 . 1 1 9 9 LEU CD1 C 13 22.69 0.2 . 1 . . . . . . . . 6484 1 116 . 1 1 9 9 LEU CD2 C 13 18.81 0.2 . 1 . . . . . . . . 6484 1 117 . 1 1 9 9 LEU N N 15 123.20 0.2 . 1 . . . . . . . . 6484 1 118 . 1 1 10 10 THR H H 1 8.72 0.01 . 1 . . . . . . . . 6484 1 119 . 1 1 10 10 THR HA H 1 4.46 0.01 . 1 . . . . . . . . 6484 1 120 . 1 1 10 10 THR HB H 1 4.9 0.01 . 1 . . . . . . . . 6484 1 121 . 1 1 10 10 THR HG21 H 1 1.38 0.01 . 1 . . . . . . . . 6484 1 122 . 1 1 10 10 THR HG22 H 1 1.38 0.01 . 1 . . . . . . . . 6484 1 123 . 1 1 10 10 THR HG23 H 1 1.38 0.01 . 1 . . . . . . . . 6484 1 124 . 1 1 10 10 THR C C 13 171.60 0.2 . 1 . . . . . . . . 6484 1 125 . 1 1 10 10 THR CA C 13 58.74 0.2 . 1 . . . . . . . . 6484 1 126 . 1 1 10 10 THR CB C 13 68.14 0.2 . 1 . . . . . . . . 6484 1 127 . 1 1 10 10 THR CG2 C 13 19.71 0.2 . 1 . . . . . . . . 6484 1 128 . 1 1 10 10 THR N N 15 112.40 0.2 . 1 . . . . . . . . 6484 1 129 . 1 1 11 11 GLU H H 1 9.68 0.01 . 1 . . . . . . . . 6484 1 130 . 1 1 11 11 GLU HA H 1 4.09 0.01 . 1 . . . . . . . . 6484 1 131 . 1 1 11 11 GLU HB2 H 1 2.22 0.01 . 2 . . . . . . . . 6484 1 132 . 1 1 11 11 GLU HB3 H 1 2.06 0.01 . 2 . . . . . . . . 6484 1 133 . 1 1 11 11 GLU HG2 H 1 2.35 0.01 . 2 . . . . . . . . 6484 1 134 . 1 1 11 11 GLU HG3 H 1 2.25 0.01 . 2 . . . . . . . . 6484 1 135 . 1 1 11 11 GLU C C 13 177.50 0.2 . 1 . . . . . . . . 6484 1 136 . 1 1 11 11 GLU CA C 13 58.26 0.2 . 1 . . . . . . . . 6484 1 137 . 1 1 11 11 GLU CB C 13 26.59 0.2 . 1 . . . . . . . . 6484 1 138 . 1 1 11 11 GLU CG C 13 34.44 0.2 . 1 . . . . . . . . 6484 1 139 . 1 1 11 11 GLU N N 15 119.60 0.2 . 1 . . . . . . . . 6484 1 140 . 1 1 12 12 LEU H H 1 8.65 0.01 . 1 . . . . . . . . 6484 1 141 . 1 1 12 12 LEU HA H 1 4.17 0.01 . 1 . . . . . . . . 6484 1 142 . 1 1 12 12 LEU HB2 H 1 1.66 0.01 . 1 . . . . . . . . 6484 1 143 . 1 1 12 12 LEU HB3 H 1 1.66 0.01 . 1 . . . . . . . . 6484 1 144 . 1 1 12 12 LEU HG H 1 0.93 0.01 . 1 . . . . . . . . 6484 1 145 . 1 1 12 12 LEU HD11 H 1 0.74 0.01 . 1 . . . . . . . . 6484 1 146 . 1 1 12 12 LEU HD12 H 1 0.74 0.01 . 1 . . . . . . . . 6484 1 147 . 1 1 12 12 LEU HD13 H 1 0.74 0.01 . 1 . . . . . . . . 6484 1 148 . 1 1 12 12 LEU HD21 H 1 0.74 0.01 . 1 . . . . . . . . 6484 1 149 . 1 1 12 12 LEU HD22 H 1 0.74 0.01 . 1 . . . . . . . . 6484 1 150 . 1 1 12 12 LEU HD23 H 1 0.74 0.01 . 1 . . . . . . . . 6484 1 151 . 1 1 12 12 LEU C C 13 175.60 0.2 . 1 . . . . . . . . 6484 1 152 . 1 1 12 12 LEU CA C 13 55.40 0.2 . 1 . . . . . . . . 6484 1 153 . 1 1 12 12 LEU CB C 13 39.74 0.2 . 1 . . . . . . . . 6484 1 154 . 1 1 12 12 LEU CG C 13 25.05 0.2 . 1 . . . . . . . . 6484 1 155 . 1 1 12 12 LEU CD1 C 13 22.58 0.2 . 1 . . . . . . . . 6484 1 156 . 1 1 12 12 LEU CD2 C 13 22.58 0.2 . 1 . . . . . . . . 6484 1 157 . 1 1 12 12 LEU N N 15 119.40 0.2 . 1 . . . . . . . . 6484 1 158 . 1 1 13 13 GLU H H 1 7.87 0.01 . 1 . . . . . . . . 6484 1 159 . 1 1 13 13 GLU HA H 1 3.71 0.01 . 1 . . . . . . . . 6484 1 160 . 1 1 13 13 GLU HB2 H 1 1.74 0.01 . 2 . . . . . . . . 6484 1 161 . 1 1 13 13 GLU HB3 H 1 1.68 0.01 . 2 . . . . . . . . 6484 1 162 . 1 1 13 13 GLU HG2 H 1 2.09 0.01 . 2 . . . . . . . . 6484 1 163 . 1 1 13 13 GLU HG3 H 1 2.16 0.01 . 2 . . . . . . . . 6484 1 164 . 1 1 13 13 GLU C C 13 176.20 0.2 . 1 . . . . . . . . 6484 1 165 . 1 1 13 13 GLU CA C 13 57.26 0.2 . 1 . . . . . . . . 6484 1 166 . 1 1 13 13 GLU CB C 13 28.27 0.2 . 1 . . . . . . . . 6484 1 167 . 1 1 13 13 GLU CG C 13 35.90 0.2 . 1 . . . . . . . . 6484 1 168 . 1 1 13 13 GLU N N 15 118.60 0.2 . 1 . . . . . . . . 6484 1 169 . 1 1 14 14 ALA H H 1 9.27 0.01 . 1 . . . . . . . . 6484 1 170 . 1 1 14 14 ALA HA H 1 4.08 0.01 . 1 . . . . . . . . 6484 1 171 . 1 1 14 14 ALA HB1 H 1 1.47 0.01 . 1 . . . . . . . . 6484 1 172 . 1 1 14 14 ALA HB2 H 1 1.47 0.01 . 1 . . . . . . . . 6484 1 173 . 1 1 14 14 ALA HB3 H 1 1.47 0.01 . 1 . . . . . . . . 6484 1 174 . 1 1 14 14 ALA C C 13 177.40 0.2 . 1 . . . . . . . . 6484 1 175 . 1 1 14 14 ALA CA C 13 51.71 0.2 . 1 . . . . . . . . 6484 1 176 . 1 1 14 14 ALA CB C 13 15.33 0.2 . 1 . . . . . . . . 6484 1 177 . 1 1 14 14 ALA N N 15 120.70 0.2 . 1 . . . . . . . . 6484 1 178 . 1 1 15 15 ALA H H 1 7.91 0.01 . 1 . . . . . . . . 6484 1 179 . 1 1 15 15 ALA HA H 1 4.36 0.01 . 1 . . . . . . . . 6484 1 180 . 1 1 15 15 ALA HB1 H 1 1.85 0.01 . 1 . . . . . . . . 6484 1 181 . 1 1 15 15 ALA HB2 H 1 1.85 0.01 . 1 . . . . . . . . 6484 1 182 . 1 1 15 15 ALA HB3 H 1 1.85 0.01 . 1 . . . . . . . . 6484 1 183 . 1 1 15 15 ALA C C 13 176.90 0.2 . 1 . . . . . . . . 6484 1 184 . 1 1 15 15 ALA CA C 13 52.75 0.2 . 1 . . . . . . . . 6484 1 185 . 1 1 15 15 ALA CB C 13 15.88 0.2 . 1 . . . . . . . . 6484 1 186 . 1 1 15 15 ALA N N 15 122.70 0.2 . 1 . . . . . . . . 6484 1 187 . 1 1 16 16 ILE H H 1 8.09 0.01 . 1 . . . . . . . . 6484 1 188 . 1 1 16 16 ILE HA H 1 3.39 0.01 . 1 . . . . . . . . 6484 1 189 . 1 1 16 16 ILE HB H 1 2.02 0.01 . 1 . . . . . . . . 6484 1 190 . 1 1 16 16 ILE HG12 H 1 1.78 0.01 . 2 . . . . . . . . 6484 1 191 . 1 1 16 16 ILE HG13 H 1 1.58 0.01 . 2 . . . . . . . . 6484 1 192 . 1 1 16 16 ILE HG21 H 1 0.7 0.01 . 1 . . . . . . . . 6484 1 193 . 1 1 16 16 ILE HG22 H 1 0.7 0.01 . 1 . . . . . . . . 6484 1 194 . 1 1 16 16 ILE HG23 H 1 0.7 0.01 . 1 . . . . . . . . 6484 1 195 . 1 1 16 16 ILE HD11 H 1 0.6 0.01 . 1 . . . . . . . . 6484 1 196 . 1 1 16 16 ILE HD12 H 1 0.6 0.01 . 1 . . . . . . . . 6484 1 197 . 1 1 16 16 ILE HD13 H 1 0.6 0.01 . 1 . . . . . . . . 6484 1 198 . 1 1 16 16 ILE C C 13 174.90 0.2 . 1 . . . . . . . . 6484 1 199 . 1 1 16 16 ILE CA C 13 64.28 0.2 . 1 . . . . . . . . 6484 1 200 . 1 1 16 16 ILE CB C 13 35.50 0.2 . 1 . . . . . . . . 6484 1 201 . 1 1 16 16 ILE CG1 C 13 20.10 0.2 . 1 . . . . . . . . 6484 1 202 . 1 1 16 16 ILE CG2 C 13 20.10 0.2 . 1 . . . . . . . . 6484 1 203 . 1 1 16 16 ILE N N 15 119.10 0.2 . 1 . . . . . . . . 6484 1 204 . 1 1 17 17 GLU H H 1 8.35 0.01 . 1 . . . . . . . . 6484 1 205 . 1 1 17 17 GLU HA H 1 3.92 0.01 . 1 . . . . . . . . 6484 1 206 . 1 1 17 17 GLU HB2 H 1 2.05 0.01 . 1 . . . . . . . . 6484 1 207 . 1 1 17 17 GLU HB3 H 1 2.05 0.01 . 1 . . . . . . . . 6484 1 208 . 1 1 17 17 GLU HG2 H 1 2.45 0.01 . 1 . . . . . . . . 6484 1 209 . 1 1 17 17 GLU HG3 H 1 2.45 0.01 . 1 . . . . . . . . 6484 1 210 . 1 1 17 17 GLU C C 13 176.30 0.2 . 1 . . . . . . . . 6484 1 211 . 1 1 17 17 GLU CA C 13 58.52 0.2 . 1 . . . . . . . . 6484 1 212 . 1 1 17 17 GLU CB C 13 26.07 0.2 . 1 . . . . . . . . 6484 1 213 . 1 1 17 17 GLU CG C 13 33.86 0.2 . 1 . . . . . . . . 6484 1 214 . 1 1 17 17 GLU N N 15 118.70 0.2 . 1 . . . . . . . . 6484 1 215 . 1 1 18 18 THR H H 1 8.93 0.01 . 1 . . . . . . . . 6484 1 216 . 1 1 18 18 THR HA H 1 4.13 0.01 . 1 . . . . . . . . 6484 1 217 . 1 1 18 18 THR HB H 1 4.42 0.01 . 1 . . . . . . . . 6484 1 218 . 1 1 18 18 THR HG21 H 1 1.12 0.01 . 1 . . . . . . . . 6484 1 219 . 1 1 18 18 THR HG22 H 1 1.12 0.01 . 1 . . . . . . . . 6484 1 220 . 1 1 18 18 THR HG23 H 1 1.12 0.01 . 1 . . . . . . . . 6484 1 221 . 1 1 18 18 THR C C 13 175.30 0.2 . 1 . . . . . . . . 6484 1 222 . 1 1 18 18 THR CA C 13 64.40 0.2 . 1 . . . . . . . . 6484 1 223 . 1 1 18 18 THR CB C 13 65.59 0.2 . 1 . . . . . . . . 6484 1 224 . 1 1 18 18 THR N N 15 119.20 0.2 . 1 . . . . . . . . 6484 1 225 . 1 1 19 19 VAL H H 1 8.62 0.01 . 1 . . . . . . . . 6484 1 226 . 1 1 19 19 VAL HA H 1 3.79 0.01 . 1 . . . . . . . . 6484 1 227 . 1 1 19 19 VAL HB H 1 2.63 0.01 . 1 . . . . . . . . 6484 1 228 . 1 1 19 19 VAL HG11 H 1 1.18 0.01 . 1 . . . . . . . . 6484 1 229 . 1 1 19 19 VAL HG12 H 1 1.18 0.01 . 1 . . . . . . . . 6484 1 230 . 1 1 19 19 VAL HG13 H 1 1.18 0.01 . 1 . . . . . . . . 6484 1 231 . 1 1 19 19 VAL HG21 H 1 1.18 0.01 . 1 . . . . . . . . 6484 1 232 . 1 1 19 19 VAL HG22 H 1 1.18 0.01 . 1 . . . . . . . . 6484 1 233 . 1 1 19 19 VAL HG23 H 1 1.18 0.01 . 1 . . . . . . . . 6484 1 234 . 1 1 19 19 VAL C C 13 175.70 0.2 . 1 . . . . . . . . 6484 1 235 . 1 1 19 19 VAL CA C 13 64.69 0.2 . 1 . . . . . . . . 6484 1 236 . 1 1 19 19 VAL CB C 13 29.07 0.2 . 1 . . . . . . . . 6484 1 237 . 1 1 19 19 VAL CG1 C 13 19.32 0.2 . 1 . . . . . . . . 6484 1 238 . 1 1 19 19 VAL CG2 C 13 19.32 0.2 . 1 . . . . . . . . 6484 1 239 . 1 1 19 19 VAL N N 15 124.90 0.2 . 1 . . . . . . . . 6484 1 240 . 1 1 20 20 VAL H H 1 8.25 0.01 . 1 . . . . . . . . 6484 1 241 . 1 1 20 20 VAL HA H 1 4.13 0.01 . 1 . . . . . . . . 6484 1 242 . 1 1 20 20 VAL HB H 1 2.26 0.01 . 1 . . . . . . . . 6484 1 243 . 1 1 20 20 VAL HG11 H 1 1.02 0.01 . 1 . . . . . . . . 6484 1 244 . 1 1 20 20 VAL HG12 H 1 1.02 0.01 . 1 . . . . . . . . 6484 1 245 . 1 1 20 20 VAL HG13 H 1 1.02 0.01 . 1 . . . . . . . . 6484 1 246 . 1 1 20 20 VAL HG21 H 1 1.02 0.01 . 1 . . . . . . . . 6484 1 247 . 1 1 20 20 VAL HG22 H 1 1.02 0.01 . 1 . . . . . . . . 6484 1 248 . 1 1 20 20 VAL HG23 H 1 1.02 0.01 . 1 . . . . . . . . 6484 1 249 . 1 1 20 20 VAL C C 13 174.90 0.2 . 1 . . . . . . . . 6484 1 250 . 1 1 20 20 VAL CA C 13 64.87 0.2 . 1 . . . . . . . . 6484 1 251 . 1 1 20 20 VAL CB C 13 29.92 0.2 . 1 . . . . . . . . 6484 1 252 . 1 1 20 20 VAL CG1 C 13 20.12 0.2 . 1 . . . . . . . . 6484 1 253 . 1 1 20 20 VAL CG2 C 13 20.12 0.2 . 1 . . . . . . . . 6484 1 254 . 1 1 20 20 VAL N N 15 119.80 0.2 . 1 . . . . . . . . 6484 1 255 . 1 1 21 21 SER H H 1 9.44 0.01 . 1 . . . . . . . . 6484 1 256 . 1 1 21 21 SER HA H 1 4.08 0.01 . 1 . . . . . . . . 6484 1 257 . 1 1 21 21 SER HB2 H 1 3.91 0.01 . 1 . . . . . . . . 6484 1 258 . 1 1 21 21 SER HB3 H 1 3.91 0.01 . 1 . . . . . . . . 6484 1 259 . 1 1 21 21 SER C C 13 174.70 0.2 . 1 . . . . . . . . 6484 1 260 . 1 1 21 21 SER CA C 13 60.10 0.2 . 1 . . . . . . . . 6484 1 261 . 1 1 21 21 SER CB C 13 61.13 0.2 . 1 . . . . . . . . 6484 1 262 . 1 1 21 21 SER N N 15 115.80 0.2 . 1 . . . . . . . . 6484 1 263 . 1 1 22 22 THR H H 1 8.53 0.01 . 1 . . . . . . . . 6484 1 264 . 1 1 22 22 THR HA H 1 4.3 0.01 . 1 . . . . . . . . 6484 1 265 . 1 1 22 22 THR HB H 1 5.57 0.01 . 1 . . . . . . . . 6484 1 266 . 1 1 22 22 THR HG21 H 1 1.16 0.01 . 1 . . . . . . . . 6484 1 267 . 1 1 22 22 THR HG22 H 1 1.16 0.01 . 1 . . . . . . . . 6484 1 268 . 1 1 22 22 THR HG23 H 1 1.16 0.01 . 1 . . . . . . . . 6484 1 269 . 1 1 22 22 THR C C 13 172.70 0.2 . 1 . . . . . . . . 6484 1 270 . 1 1 22 22 THR CA C 13 63.91 0.2 . 1 . . . . . . . . 6484 1 271 . 1 1 22 22 THR CB C 13 65.52 0.2 . 1 . . . . . . . . 6484 1 272 . 1 1 22 22 THR N N 15 117.40 0.2 . 1 . . . . . . . . 6484 1 273 . 1 1 23 23 PHE H H 1 7 0.01 . 1 . . . . . . . . 6484 1 274 . 1 1 23 23 PHE HA H 1 3.41 0.01 . 1 . . . . . . . . 6484 1 275 . 1 1 23 23 PHE HB2 H 1 3.06 0.01 . 1 . . . . . . . . 6484 1 276 . 1 1 23 23 PHE HB3 H 1 3.06 0.01 . 1 . . . . . . . . 6484 1 277 . 1 1 23 23 PHE HD1 H 1 6.61 0.01 . 1 . . . . . . . . 6484 1 278 . 1 1 23 23 PHE HD2 H 1 6.61 0.01 . 1 . . . . . . . . 6484 1 279 . 1 1 23 23 PHE HE1 H 1 6.8 0.01 . 1 . . . . . . . . 6484 1 280 . 1 1 23 23 PHE HE2 H 1 6.8 0.01 . 1 . . . . . . . . 6484 1 281 . 1 1 23 23 PHE C C 13 172.80 0.2 . 1 . . . . . . . . 6484 1 282 . 1 1 23 23 PHE CA C 13 59.88 0.2 . 1 . . . . . . . . 6484 1 283 . 1 1 23 23 PHE CB C 13 35.57 0.2 . 1 . . . . . . . . 6484 1 284 . 1 1 23 23 PHE N N 15 119.00 0.2 . 1 . . . . . . . . 6484 1 285 . 1 1 24 24 PHE H H 1 7.3 0.01 . 1 . . . . . . . . 6484 1 286 . 1 1 24 24 PHE HA H 1 3.83 0.01 . 1 . . . . . . . . 6484 1 287 . 1 1 24 24 PHE HB2 H 1 3.3 0.01 . 1 . . . . . . . . 6484 1 288 . 1 1 24 24 PHE HB3 H 1 2.96 0.01 . 1 . . . . . . . . 6484 1 289 . 1 1 24 24 PHE HD1 H 1 6.48 0.01 . 1 . . . . . . . . 6484 1 290 . 1 1 24 24 PHE HD2 H 1 6.48 0.01 . 1 . . . . . . . . 6484 1 291 . 1 1 24 24 PHE HE1 H 1 6.89 0.01 . 1 . . . . . . . . 6484 1 292 . 1 1 24 24 PHE HE2 H 1 6.89 0.01 . 1 . . . . . . . . 6484 1 293 . 1 1 24 24 PHE C C 13 176.30 0.2 . 1 . . . . . . . . 6484 1 294 . 1 1 24 24 PHE CA C 13 60.65 0.2 . 1 . . . . . . . . 6484 1 295 . 1 1 24 24 PHE CB C 13 36.14 0.2 . 1 . . . . . . . . 6484 1 296 . 1 1 24 24 PHE N N 15 115.70 0.01 . 1 . . . . . . . . 6484 1 297 . 1 1 25 25 THR H H 1 8.76 0.01 . 1 . . . . . . . . 6484 1 298 . 1 1 25 25 THR HA H 1 3.84 0.01 . 1 . . . . . . . . 6484 1 299 . 1 1 25 25 THR HB H 1 4.26 0.01 . 1 . . . . . . . . 6484 1 300 . 1 1 25 25 THR HG21 H 1 1.4 0.01 . 1 . . . . . . . . 6484 1 301 . 1 1 25 25 THR HG22 H 1 1.4 0.01 . 1 . . . . . . . . 6484 1 302 . 1 1 25 25 THR HG23 H 1 1.4 0.01 . 1 . . . . . . . . 6484 1 303 . 1 1 25 25 THR C C 13 173.50 0.2 . 1 . . . . . . . . 6484 1 304 . 1 1 25 25 THR CA C 13 63.39 0.2 . 1 . . . . . . . . 6484 1 305 . 1 1 25 25 THR CB C 13 65.88 0.2 . 1 . . . . . . . . 6484 1 306 . 1 1 25 25 THR N N 15 119.30 0.01 . 1 . . . . . . . . 6484 1 307 . 1 1 26 26 PHE H H 1 7.4 0.01 . 1 . . . . . . . . 6484 1 308 . 1 1 26 26 PHE HA H 1 3.95 0.01 . 1 . . . . . . . . 6484 1 309 . 1 1 26 26 PHE HB2 H 1 2.67 0.01 . 1 . . . . . . . . 6484 1 310 . 1 1 26 26 PHE HB3 H 1 2.67 0.01 . 1 . . . . . . . . 6484 1 311 . 1 1 26 26 PHE HD1 H 1 6.84 0.01 . 1 . . . . . . . . 6484 1 312 . 1 1 26 26 PHE HD2 H 1 6.84 0.01 . 1 . . . . . . . . 6484 1 313 . 1 1 26 26 PHE HE1 H 1 7 0.01 . 1 . . . . . . . . 6484 1 314 . 1 1 26 26 PHE HE2 H 1 7 0.01 . 1 . . . . . . . . 6484 1 315 . 1 1 26 26 PHE C C 13 173.40 0.01 . 1 . . . . . . . . 6484 1 316 . 1 1 26 26 PHE CA C 13 59.34 0.01 . 1 . . . . . . . . 6484 1 317 . 1 1 26 26 PHE CB C 13 37.21 0.01 . 1 . . . . . . . . 6484 1 318 . 1 1 26 26 PHE N N 15 118.10 0.2 . 1 . . . . . . . . 6484 1 319 . 1 1 27 27 ALA H H 1 8.48 0.01 . 1 . . . . . . . . 6484 1 320 . 1 1 27 27 ALA HA H 1 3.68 0.01 . 1 . . . . . . . . 6484 1 321 . 1 1 27 27 ALA HB1 H 1 1.3 0.01 . 1 . . . . . . . . 6484 1 322 . 1 1 27 27 ALA HB2 H 1 1.3 0.01 . 1 . . . . . . . . 6484 1 323 . 1 1 27 27 ALA HB3 H 1 1.3 0.01 . 1 . . . . . . . . 6484 1 324 . 1 1 27 27 ALA C C 13 176.70 0.2 . 1 . . . . . . . . 6484 1 325 . 1 1 27 27 ALA CA C 13 51.56 0.01 . 1 . . . . . . . . 6484 1 326 . 1 1 27 27 ALA CB C 13 15.18 0.01 . 1 . . . . . . . . 6484 1 327 . 1 1 27 27 ALA N N 15 118.50 0.2 . 1 . . . . . . . . 6484 1 328 . 1 1 28 28 GLY H H 1 7.44 0.01 . 1 . . . . . . . . 6484 1 329 . 1 1 28 28 GLY HA2 H 1 4.14 0.01 . 2 . . . . . . . . 6484 1 330 . 1 1 28 28 GLY HA3 H 1 3.86 0.01 . 2 . . . . . . . . 6484 1 331 . 1 1 28 28 GLY C C 13 170.90 0.2 . 1 . . . . . . . . 6484 1 332 . 1 1 28 28 GLY CA C 13 42.96 0.2 . 1 . . . . . . . . 6484 1 333 . 1 1 28 28 GLY N N 15 103.80 0.2 . 1 . . . . . . . . 6484 1 334 . 1 1 29 29 ARG H H 1 7.07 0.01 . 1 . . . . . . . . 6484 1 335 . 1 1 29 29 ARG HA H 1 3.94 0.01 . 1 . . . . . . . . 6484 1 336 . 1 1 29 29 ARG HB2 H 1 2.05 0.01 . 1 . . . . . . . . 6484 1 337 . 1 1 29 29 ARG HB3 H 1 2.05 0.01 . 1 . . . . . . . . 6484 1 338 . 1 1 29 29 ARG HD2 H 1 3.18 0.01 . 1 . . . . . . . . 6484 1 339 . 1 1 29 29 ARG HD3 H 1 3.18 0.01 . 1 . . . . . . . . 6484 1 340 . 1 1 29 29 ARG C C 13 174.70 0.2 . 1 . . . . . . . . 6484 1 341 . 1 1 29 29 ARG CA C 13 57.16 0.2 . 1 . . . . . . . . 6484 1 342 . 1 1 29 29 ARG CB C 13 28.81 0.2 . 1 . . . . . . . . 6484 1 343 . 1 1 29 29 ARG CG C 13 25.45 0.2 . 1 . . . . . . . . 6484 1 344 . 1 1 29 29 ARG CD C 13 41.02 0.2 . 1 . . . . . . . . 6484 1 345 . 1 1 29 29 ARG N N 15 121.40 0.2 . 1 . . . . . . . . 6484 1 346 . 1 1 30 30 GLU H H 1 9.79 0.01 . 1 . . . . . . . . 6484 1 347 . 1 1 30 30 GLU HA H 1 4.6 0.01 . 1 . . . . . . . . 6484 1 348 . 1 1 30 30 GLU HB2 H 1 1.76 0.01 . 1 . . . . . . . . 6484 1 349 . 1 1 30 30 GLU HB3 H 1 1.76 0.01 . 1 . . . . . . . . 6484 1 350 . 1 1 30 30 GLU HG2 H 1 2 0.01 . 1 . . . . . . . . 6484 1 351 . 1 1 30 30 GLU HG3 H 1 2 0.01 . 1 . . . . . . . . 6484 1 352 . 1 1 30 30 GLU C C 13 174.00 0.2 . 1 . . . . . . . . 6484 1 353 . 1 1 30 30 GLU CA C 13 51.87 0.2 . 1 . . . . . . . . 6484 1 354 . 1 1 30 30 GLU CB C 13 31.42 0.2 . 1 . . . . . . . . 6484 1 355 . 1 1 30 30 GLU CG C 13 33.21 0.2 . 1 . . . . . . . . 6484 1 356 . 1 1 30 30 GLU N N 15 116.40 0.2 . 1 . . . . . . . . 6484 1 357 . 1 1 31 31 GLY H H 1 9.05 0.01 . 1 . . . . . . . . 6484 1 358 . 1 1 31 31 GLY HA2 H 1 3.78 0.01 . 1 . . . . . . . . 6484 1 359 . 1 1 31 31 GLY HA3 H 1 3.78 0.01 . 1 . . . . . . . . 6484 1 360 . 1 1 31 31 GLY C C 13 171.80 0.2 . 1 . . . . . . . . 6484 1 361 . 1 1 31 31 GLY CA C 13 43.53 0.2 . 1 . . . . . . . . 6484 1 362 . 1 1 31 31 GLY N N 15 113.90 0.2 . 1 . . . . . . . . 6484 1 363 . 1 1 32 32 ARG H H 1 8.26 0.01 . 1 . . . . . . . . 6484 1 364 . 1 1 32 32 ARG HA H 1 3.93 0.01 . 1 . . . . . . . . 6484 1 365 . 1 1 32 32 ARG HB2 H 1 1.89 0.01 . 2 . . . . . . . . 6484 1 366 . 1 1 32 32 ARG HB3 H 1 1.7 0.01 . 2 . . . . . . . . 6484 1 367 . 1 1 32 32 ARG HG2 H 1 1.79 0.01 . 1 . . . . . . . . 6484 1 368 . 1 1 32 32 ARG HG3 H 1 1.79 0.01 . 1 . . . . . . . . 6484 1 369 . 1 1 32 32 ARG HD2 H 1 3.18 0.01 . 1 . . . . . . . . 6484 1 370 . 1 1 32 32 ARG HD3 H 1 3.18 0.01 . 1 . . . . . . . . 6484 1 371 . 1 1 32 32 ARG CA C 13 54.49 0.2 . 1 . . . . . . . . 6484 1 372 . 1 1 32 32 ARG CB C 13 27.46 0.2 . 1 . . . . . . . . 6484 1 373 . 1 1 32 32 ARG N N 15 125.30 0.2 . 1 . . . . . . . . 6484 1 374 . 1 1 33 33 LYS HA H 1 4.38 0.01 . 1 . . . . . . . . 6484 1 375 . 1 1 33 33 LYS HB2 H 1 1.88 0.01 . 1 . . . . . . . . 6484 1 376 . 1 1 33 33 LYS HB3 H 1 1.88 0.01 . 1 . . . . . . . . 6484 1 377 . 1 1 33 33 LYS C C 13 173.20 0.2 . 1 . . . . . . . . 6484 1 378 . 1 1 33 33 LYS CA C 13 55.09 0.2 . 1 . . . . . . . . 6484 1 379 . 1 1 33 33 LYS CB C 13 29.37 0.2 . 1 . . . . . . . . 6484 1 380 . 1 1 33 33 LYS CG C 13 22.97 0.2 . 1 . . . . . . . . 6484 1 381 . 1 1 33 33 LYS CE C 13 39.73 0.2 . 1 . . . . . . . . 6484 1 382 . 1 1 34 34 GLY H H 1 8.27 0.01 . 1 . . . . . . . . 6484 1 383 . 1 1 34 34 GLY HA2 H 1 3.87 0.01 . 1 . . . . . . . . 6484 1 384 . 1 1 34 34 GLY HA3 H 1 3.87 0.01 . 1 . . . . . . . . 6484 1 385 . 1 1 34 34 GLY C C 13 169.60 0.2 . 1 . . . . . . . . 6484 1 386 . 1 1 34 34 GLY CA C 13 42.06 0.2 . 1 . . . . . . . . 6484 1 387 . 1 1 34 34 GLY N N 15 104.40 0.2 . 1 . . . . . . . . 6484 1 388 . 1 1 35 35 SER H H 1 7.04 0.01 . 1 . . . . . . . . 6484 1 389 . 1 1 35 35 SER HA H 1 5.17 0.01 . 1 . . . . . . . . 6484 1 390 . 1 1 35 35 SER HB2 H 1 3.6 0.01 . 1 . . . . . . . . 6484 1 391 . 1 1 35 35 SER HB3 H 1 3.6 0.01 . 1 . . . . . . . . 6484 1 392 . 1 1 35 35 SER C C 13 170.40 0.2 . 1 . . . . . . . . 6484 1 393 . 1 1 35 35 SER CA C 13 53.83 0.2 . 1 . . . . . . . . 6484 1 394 . 1 1 35 35 SER CB C 13 63.22 0.2 . 1 . . . . . . . . 6484 1 395 . 1 1 35 35 SER N N 15 108.40 0.2 . 1 . . . . . . . . 6484 1 396 . 1 1 36 36 LEU H H 1 9.16 0.01 . 1 . . . . . . . . 6484 1 397 . 1 1 36 36 LEU HA H 1 5.26 0.01 . 1 . . . . . . . . 6484 1 398 . 1 1 36 36 LEU HB2 H 1 1.98 0.01 . 2 . . . . . . . . 6484 1 399 . 1 1 36 36 LEU HB3 H 1 1.6 0.01 . 2 . . . . . . . . 6484 1 400 . 1 1 36 36 LEU HG H 1 1.55 0.01 . 1 . . . . . . . . 6484 1 401 . 1 1 36 36 LEU HD11 H 1 0.48 0.01 . 1 . . . . . . . . 6484 1 402 . 1 1 36 36 LEU HD12 H 1 0.48 0.01 . 1 . . . . . . . . 6484 1 403 . 1 1 36 36 LEU HD13 H 1 0.48 0.01 . 1 . . . . . . . . 6484 1 404 . 1 1 36 36 LEU HD21 H 1 0.48 0.01 . 1 . . . . . . . . 6484 1 405 . 1 1 36 36 LEU HD22 H 1 0.48 0.01 . 1 . . . . . . . . 6484 1 406 . 1 1 36 36 LEU HD23 H 1 0.48 0.01 . 1 . . . . . . . . 6484 1 407 . 1 1 36 36 LEU C C 13 173.40 0.2 . 1 . . . . . . . . 6484 1 408 . 1 1 36 36 LEU CA C 13 50.20 0.2 . 1 . . . . . . . . 6484 1 409 . 1 1 36 36 LEU CB C 13 41.73 0.2 . 1 . . . . . . . . 6484 1 410 . 1 1 36 36 LEU CG C 13 25.11 0.2 . 1 . . . . . . . . 6484 1 411 . 1 1 36 36 LEU CD1 C 13 22.07 0.2 . 1 . . . . . . . . 6484 1 412 . 1 1 36 36 LEU CD2 C 13 22.07 0.2 . 1 . . . . . . . . 6484 1 413 . 1 1 36 36 LEU N N 15 125.80 0.2 . 1 . . . . . . . . 6484 1 414 . 1 1 37 37 ASN H H 1 9.8 0.01 . 1 . . . . . . . . 6484 1 415 . 1 1 37 37 ASN HA H 1 4.88 0.01 . 1 . . . . . . . . 6484 1 416 . 1 1 37 37 ASN HB2 H 1 3.43 0.01 . 2 . . . . . . . . 6484 1 417 . 1 1 37 37 ASN HB3 H 1 3.03 0.01 . 2 . . . . . . . . 6484 1 418 . 1 1 37 37 ASN C C 13 173.40 0.2 . 1 . . . . . . . . 6484 1 419 . 1 1 37 37 ASN CA C 13 48.27 0.2 . 1 . . . . . . . . 6484 1 420 . 1 1 37 37 ASN CB C 13 35.23 0.2 . 1 . . . . . . . . 6484 1 421 . 1 1 37 37 ASN N N 15 123.90 0.2 . 1 . . . . . . . . 6484 1 422 . 1 1 38 38 ILE H H 1 8.77 0.01 . 1 . . . . . . . . 6484 1 423 . 1 1 38 38 ILE HA H 1 4.44 0.01 . 1 . . . . . . . . 6484 1 424 . 1 1 38 38 ILE HB H 1 1.96 0.01 . 1 . . . . . . . . 6484 1 425 . 1 1 38 38 ILE HG12 H 1 0.93 0.01 . 2 . . . . . . . . 6484 1 426 . 1 1 38 38 ILE HG13 H 1 1.65 0.01 . 2 . . . . . . . . 6484 1 427 . 1 1 38 38 ILE HG21 H 1 0.93 0.01 . 1 . . . . . . . . 6484 1 428 . 1 1 38 38 ILE HG22 H 1 0.93 0.01 . 1 . . . . . . . . 6484 1 429 . 1 1 38 38 ILE HG23 H 1 0.93 0.01 . 1 . . . . . . . . 6484 1 430 . 1 1 38 38 ILE C C 13 173.30 0.2 . 1 . . . . . . . . 6484 1 431 . 1 1 38 38 ILE CA C 13 60.32 0.2 . 1 . . . . . . . . 6484 1 432 . 1 1 38 38 ILE CB C 13 34.88 0.2 . 1 . . . . . . . . 6484 1 433 . 1 1 38 38 ILE CG1 C 13 21.73 0.2 . 1 . . . . . . . . 6484 1 434 . 1 1 38 38 ILE CG2 C 13 21.73 0.2 . 1 . . . . . . . . 6484 1 435 . 1 1 38 38 ILE N N 15 116.20 0.2 . 1 . . . . . . . . 6484 1 436 . 1 1 39 39 ASN H H 1 7.12 0.01 . 1 . . . . . . . . 6484 1 437 . 1 1 39 39 ASN HA H 1 4.38 0.01 . 1 . . . . . . . . 6484 1 438 . 1 1 39 39 ASN HB2 H 1 2.91 0.01 . 2 . . . . . . . . 6484 1 439 . 1 1 39 39 ASN HB3 H 1 3.01 0.01 . 2 . . . . . . . . 6484 1 440 . 1 1 39 39 ASN C C 13 176.30 0.2 . 1 . . . . . . . . 6484 1 441 . 1 1 39 39 ASN CA C 13 53.58 0.2 . 1 . . . . . . . . 6484 1 442 . 1 1 39 39 ASN CB C 13 35.47 0.2 . 1 . . . . . . . . 6484 1 443 . 1 1 39 39 ASN N N 15 120.50 0.2 . 1 . . . . . . . . 6484 1 444 . 1 1 40 40 GLU H H 1 8.54 0.01 . 1 . . . . . . . . 6484 1 445 . 1 1 40 40 GLU HA H 1 4.07 0.01 . 1 . . . . . . . . 6484 1 446 . 1 1 40 40 GLU HB2 H 1 2.07 0.01 . 2 . . . . . . . . 6484 1 447 . 1 1 40 40 GLU HB3 H 1 2.27 0.01 . 2 . . . . . . . . 6484 1 448 . 1 1 40 40 GLU HG2 H 1 2.45 0.01 . 1 . . . . . . . . 6484 1 449 . 1 1 40 40 GLU HG3 H 1 2.45 0.01 . 1 . . . . . . . . 6484 1 450 . 1 1 40 40 GLU C C 13 176.40 0.2 . 1 . . . . . . . . 6484 1 451 . 1 1 40 40 GLU CA C 13 56.16 0.2 . 1 . . . . . . . . 6484 1 452 . 1 1 40 40 GLU CB C 13 28.89 0.2 . 1 . . . . . . . . 6484 1 453 . 1 1 40 40 GLU CG C 13 33.71 0.2 . 1 . . . . . . . . 6484 1 454 . 1 1 40 40 GLU N N 15 120.80 0.2 . 1 . . . . . . . . 6484 1 455 . 1 1 41 41 PHE H H 1 9.22 0.01 . 1 . . . . . . . . 6484 1 456 . 1 1 41 41 PHE HA H 1 4.16 0.01 . 1 . . . . . . . . 6484 1 457 . 1 1 41 41 PHE HB2 H 1 3.1 0.01 . 2 . . . . . . . . 6484 1 458 . 1 1 41 41 PHE HB3 H 1 3 0.01 . 2 . . . . . . . . 6484 1 459 . 1 1 41 41 PHE C C 13 174.10 0.2 . 1 . . . . . . . . 6484 1 460 . 1 1 41 41 PHE CA C 13 58.36 0.2 . 1 . . . . . . . . 6484 1 461 . 1 1 41 41 PHE CB C 13 37.05 0.2 . 1 . . . . . . . . 6484 1 462 . 1 1 41 41 PHE N N 15 119.20 0.2 . 1 . . . . . . . . 6484 1 463 . 1 1 42 42 LYS H H 1 8.4 0.01 . 1 . . . . . . . . 6484 1 464 . 1 1 42 42 LYS HA H 1 3.98 0.01 . 1 . . . . . . . . 6484 1 465 . 1 1 42 42 LYS HB2 H 1 2 0.01 . 2 . . . . . . . . 6484 1 466 . 1 1 42 42 LYS HB3 H 1 1.95 0.01 . 2 . . . . . . . . 6484 1 467 . 1 1 42 42 LYS HG2 H 1 1.3 0.01 . 1 . . . . . . . . 6484 1 468 . 1 1 42 42 LYS HG3 H 1 1.3 0.01 . 1 . . . . . . . . 6484 1 469 . 1 1 42 42 LYS HD2 H 1 1.7 0.01 . 1 . . . . . . . . 6484 1 470 . 1 1 42 42 LYS HD3 H 1 1.7 0.01 . 1 . . . . . . . . 6484 1 471 . 1 1 42 42 LYS C C 13 176.30 0.2 . 1 . . . . . . . . 6484 1 472 . 1 1 42 42 LYS CA C 13 58.45 0.2 . 1 . . . . . . . . 6484 1 473 . 1 1 42 42 LYS CB C 13 29.01 0.2 . 1 . . . . . . . . 6484 1 474 . 1 1 42 42 LYS CG C 13 24.6 0.2 . 1 . . . . . . . . 6484 1 475 . 1 1 42 42 LYS CE C 13 39.5 0.2 . 1 . . . . . . . . 6484 1 476 . 1 1 42 42 LYS N N 15 118.10 0.2 . 1 . . . . . . . . 6484 1 477 . 1 1 43 43 GLU H H 1 7.9 0.01 . 1 . . . . . . . . 6484 1 478 . 1 1 43 43 GLU HA H 1 3.94 0.01 . 1 . . . . . . . . 6484 1 479 . 1 1 43 43 GLU HB2 H 1 2.22 0.01 . 2 . . . . . . . . 6484 1 480 . 1 1 43 43 GLU HB3 H 1 2.1 0.01 . 2 . . . . . . . . 6484 1 481 . 1 1 43 43 GLU HG2 H 1 2.47 0.01 . 2 . . . . . . . . 6484 1 482 . 1 1 43 43 GLU HG3 H 1 2.3 0.01 . 2 . . . . . . . . 6484 1 483 . 1 1 43 43 GLU C C 13 174.20 0.2 . 1 . . . . . . . . 6484 1 484 . 1 1 43 43 GLU CA C 13 57.28 0.2 . 1 . . . . . . . . 6484 1 485 . 1 1 43 43 GLU CB C 13 26.54 0.2 . 1 . . . . . . . . 6484 1 486 . 1 1 43 43 GLU CG C 13 33.66 0.2 . 1 . . . . . . . . 6484 1 487 . 1 1 43 43 GLU N N 15 120.70 0.2 . 1 . . . . . . . . 6484 1 488 . 1 1 44 44 LEU H H 1 8.18 0.01 . 1 . . . . . . . . 6484 1 489 . 1 1 44 44 LEU HA H 1 4.28 0.01 . 1 . . . . . . . . 6484 1 490 . 1 1 44 44 LEU HB2 H 1 1.32 0.01 . 1 . . . . . . . . 6484 1 491 . 1 1 44 44 LEU HB3 H 1 1.32 0.01 . 1 . . . . . . . . 6484 1 492 . 1 1 44 44 LEU HG H 1 1 0.01 . 1 . . . . . . . . 6484 1 493 . 1 1 44 44 LEU HD11 H 1 0.87 0.01 . 1 . . . . . . . . 6484 1 494 . 1 1 44 44 LEU HD12 H 1 0.87 0.01 . 1 . . . . . . . . 6484 1 495 . 1 1 44 44 LEU HD13 H 1 0.87 0.01 . 1 . . . . . . . . 6484 1 496 . 1 1 44 44 LEU HD21 H 1 0.87 0.01 . 1 . . . . . . . . 6484 1 497 . 1 1 44 44 LEU HD22 H 1 0.87 0.01 . 1 . . . . . . . . 6484 1 498 . 1 1 44 44 LEU HD23 H 1 0.87 0.01 . 1 . . . . . . . . 6484 1 499 . 1 1 44 44 LEU C C 13 176.40 0.2 . 1 . . . . . . . . 6484 1 500 . 1 1 44 44 LEU CA C 13 56.42 0.2 . 1 . . . . . . . . 6484 1 501 . 1 1 44 44 LEU CB C 13 38.89 0.2 . 1 . . . . . . . . 6484 1 502 . 1 1 44 44 LEU CG C 13 23.42 0.2 . 1 . . . . . . . . 6484 1 503 . 1 1 44 44 LEU CD1 C 13 21.68 0.2 . 1 . . . . . . . . 6484 1 504 . 1 1 44 44 LEU CD2 C 13 21.68 0.2 . 1 . . . . . . . . 6484 1 505 . 1 1 44 44 LEU N N 15 122.40 0.2 . 1 . . . . . . . . 6484 1 506 . 1 1 45 45 ALA H H 1 8.51 0.01 . 1 . . . . . . . . 6484 1 507 . 1 1 45 45 ALA HA H 1 3.45 0.01 . 1 . . . . . . . . 6484 1 508 . 1 1 45 45 ALA HB1 H 1 0.82 0.01 . 1 . . . . . . . . 6484 1 509 . 1 1 45 45 ALA HB2 H 1 0.82 0.01 . 1 . . . . . . . . 6484 1 510 . 1 1 45 45 ALA HB3 H 1 0.82 0.01 . 1 . . . . . . . . 6484 1 511 . 1 1 45 45 ALA C C 13 177.20 0.2 . 1 . . . . . . . . 6484 1 512 . 1 1 45 45 ALA CA C 13 52.50 0.2 . 1 . . . . . . . . 6484 1 513 . 1 1 45 45 ALA CB C 13 16.35 0.2 . 1 . . . . . . . . 6484 1 514 . 1 1 45 45 ALA N N 15 120.70 0.2 . 1 . . . . . . . . 6484 1 515 . 1 1 46 46 THR H H 1 7.92 0.01 . 1 . . . . . . . . 6484 1 516 . 1 1 46 46 THR HA H 1 3.8 0.01 . 1 . . . . . . . . 6484 1 517 . 1 1 46 46 THR HB H 1 4.07 0.01 . 1 . . . . . . . . 6484 1 518 . 1 1 46 46 THR HG21 H 1 1.12 0.01 . 1 . . . . . . . . 6484 1 519 . 1 1 46 46 THR HG22 H 1 1.12 0.01 . 1 . . . . . . . . 6484 1 520 . 1 1 46 46 THR HG23 H 1 1.12 0.01 . 1 . . . . . . . . 6484 1 521 . 1 1 46 46 THR C C 13 173.60 0.2 . 1 . . . . . . . . 6484 1 522 . 1 1 46 46 THR CA C 13 62.44 0.2 . 1 . . . . . . . . 6484 1 523 . 1 1 46 46 THR CB C 13 67.02 0.2 . 1 . . . . . . . . 6484 1 524 . 1 1 46 46 THR CG2 C 13 19.02 0.2 . 1 . . . . . . . . 6484 1 525 . 1 1 46 46 THR N N 15 109.60 0.2 . 1 . . . . . . . . 6484 1 526 . 1 1 47 47 GLN H H 1 8.45 0.01 . 1 . . . . . . . . 6484 1 527 . 1 1 47 47 GLN HA H 1 4.25 0.01 . 1 . . . . . . . . 6484 1 528 . 1 1 47 47 GLN HB2 H 1 2.34 0.01 . 2 . . . . . . . . 6484 1 529 . 1 1 47 47 GLN HB3 H 1 2.1 0.01 . 2 . . . . . . . . 6484 1 530 . 1 1 47 47 GLN HG2 H 1 2.4 0.01 . 2 . . . . . . . . 6484 1 531 . 1 1 47 47 GLN HG3 H 1 2.45 0.01 . 2 . . . . . . . . 6484 1 532 . 1 1 47 47 GLN C C 13 175.80 0.2 . 1 . . . . . . . . 6484 1 533 . 1 1 47 47 GLN CA C 13 55.45 0.2 . 1 . . . . . . . . 6484 1 534 . 1 1 47 47 GLN CB C 13 26.95 0.2 . 1 . . . . . . . . 6484 1 535 . 1 1 47 47 GLN CG C 13 31.86 0.2 . 1 . . . . . . . . 6484 1 536 . 1 1 47 47 GLN N N 15 116.90 0.2 . 1 . . . . . . . . 6484 1 537 . 1 1 48 48 GLN H H 1 8.31 0.01 . 1 . . . . . . . . 6484 1 538 . 1 1 48 48 GLN HA H 1 4.64 0.01 . 1 . . . . . . . . 6484 1 539 . 1 1 48 48 GLN HB2 H 1 1.82 0.01 . 2 . . . . . . . . 6484 1 540 . 1 1 48 48 GLN HB3 H 1 1.7 0.01 . 2 . . . . . . . . 6484 1 541 . 1 1 48 48 GLN HG2 H 1 2.29 0.01 . 2 . . . . . . . . 6484 1 542 . 1 1 48 48 GLN HG3 H 1 2.12 0.01 . 2 . . . . . . . . 6484 1 543 . 1 1 48 48 GLN HE21 H 1 7.65 0.01 . 2 . . . . . . . . 6484 1 544 . 1 1 48 48 GLN HE22 H 1 6.6 0.01 . 2 . . . . . . . . 6484 1 545 . 1 1 48 48 GLN C C 13 174.10 0.2 . 1 . . . . . . . . 6484 1 546 . 1 1 48 48 GLN CA C 13 53.21 0.2 . 1 . . . . . . . . 6484 1 547 . 1 1 48 48 GLN CB C 13 28.20 0.2 . 1 . . . . . . . . 6484 1 548 . 1 1 48 48 GLN CG C 13 31.58 0.2 . 1 . . . . . . . . 6484 1 549 . 1 1 48 48 GLN N N 15 112.70 0.2 . 1 . . . . . . . . 6484 1 550 . 1 1 48 48 GLN NE2 N 15 113.50 0.2 . 1 . . . . . . . . 6484 1 551 . 1 1 49 49 LEU H H 1 7.3 0.01 . 1 . . . . . . . . 6484 1 552 . 1 1 49 49 LEU HA H 1 3.44 0.01 . 1 . . . . . . . . 6484 1 553 . 1 1 49 49 LEU HB2 H 1 1.66 0.01 . 2 . . . . . . . . 6484 1 554 . 1 1 49 49 LEU HB3 H 1 1.6 0.01 . 2 . . . . . . . . 6484 1 555 . 1 1 49 49 LEU HG H 1 1.45 0.01 . 1 . . . . . . . . 6484 1 556 . 1 1 49 49 LEU HD11 H 1 0.78 0.01 . 2 . . . . . . . . 6484 1 557 . 1 1 49 49 LEU HD12 H 1 0.78 0.01 . 2 . . . . . . . . 6484 1 558 . 1 1 49 49 LEU HD13 H 1 0.78 0.01 . 2 . . . . . . . . 6484 1 559 . 1 1 49 49 LEU HD21 H 1 0.7 0.01 . 2 . . . . . . . . 6484 1 560 . 1 1 49 49 LEU HD22 H 1 0.7 0.01 . 2 . . . . . . . . 6484 1 561 . 1 1 49 49 LEU HD23 H 1 0.7 0.01 . 2 . . . . . . . . 6484 1 562 . 1 1 49 49 LEU C C 13 173.90 0.2 . 1 . . . . . . . . 6484 1 563 . 1 1 49 49 LEU CA C 13 51.15 0.2 . 1 . . . . . . . . 6484 1 564 . 1 1 49 49 LEU CB C 13 41.13 0.2 . 1 . . . . . . . . 6484 1 565 . 1 1 49 49 LEU CG C 13 24.20 0.2 . 1 . . . . . . . . 6484 1 566 . 1 1 49 49 LEU CD1 C 13 21.50 0.2 . 1 . . . . . . . . 6484 1 567 . 1 1 49 49 LEU CD2 C 13 20.10 0.2 . 1 . . . . . . . . 6484 1 568 . 1 1 49 49 LEU N N 15 122.30 0.2 . 1 . . . . . . . . 6484 1 569 . 1 1 50 50 PRO HA H 1 4.16 0.01 . 1 . . . . . . . . 6484 1 570 . 1 1 50 50 PRO HB2 H 1 2.05 0.01 . 2 . . . . . . . . 6484 1 571 . 1 1 50 50 PRO HB3 H 1 2 0.01 . 2 . . . . . . . . 6484 1 572 . 1 1 50 50 PRO HD2 H 1 3.2 0.01 . 1 . . . . . . . . 6484 1 573 . 1 1 50 50 PRO HD3 H 1 3.2 0.01 . 1 . . . . . . . . 6484 1 574 . 1 1 50 50 PRO C C 13 176.20 0.2 . 1 . . . . . . . . 6484 1 575 . 1 1 50 50 PRO CA C 13 63.04 0.2 . 1 . . . . . . . . 6484 1 576 . 1 1 50 50 PRO CB C 13 28.39 0.2 . 1 . . . . . . . . 6484 1 577 . 1 1 51 51 HIS H H 1 9.74 0.01 . 1 . . . . . . . . 6484 1 578 . 1 1 51 51 HIS HA H 1 4.47 0.01 . 1 . . . . . . . . 6484 1 579 . 1 1 51 51 HIS HB2 H 1 3.33 0.01 . 2 . . . . . . . . 6484 1 580 . 1 1 51 51 HIS HB3 H 1 3.04 0.01 . 2 . . . . . . . . 6484 1 581 . 1 1 51 51 HIS HD1 H 1 6.79 0.01 . 3 . . . . . . . . 6484 1 582 . 1 1 51 51 HIS HD2 H 1 8.72 0.01 . 3 . . . . . . . . 6484 1 583 . 1 1 51 51 HIS C C 13 174.60 0.2 . 1 . . . . . . . . 6484 1 584 . 1 1 51 51 HIS CA C 13 55.62 0.2 . 1 . . . . . . . . 6484 1 585 . 1 1 51 51 HIS CB C 13 25.23 0.2 . 1 . . . . . . . . 6484 1 586 . 1 1 51 51 HIS N N 15 116.90 0.2 . 1 . . . . . . . . 6484 1 587 . 1 1 52 52 LEU H H 1 8.01 0.01 . 1 . . . . . . . . 6484 1 588 . 1 1 52 52 LEU HA H 1 4.2 0.01 . 1 . . . . . . . . 6484 1 589 . 1 1 52 52 LEU HB2 H 1 1.6 0.01 . 2 . . . . . . . . 6484 1 590 . 1 1 52 52 LEU HB3 H 1 1.55 0.01 . 2 . . . . . . . . 6484 1 591 . 1 1 52 52 LEU HG H 1 1.42 0.01 . 1 . . . . . . . . 6484 1 592 . 1 1 52 52 LEU HD11 H 1 0.78 0.01 . 1 . . . . . . . . 6484 1 593 . 1 1 52 52 LEU HD12 H 1 0.78 0.01 . 1 . . . . . . . . 6484 1 594 . 1 1 52 52 LEU HD13 H 1 0.78 0.01 . 1 . . . . . . . . 6484 1 595 . 1 1 52 52 LEU HD21 H 1 0.78 0.01 . 1 . . . . . . . . 6484 1 596 . 1 1 52 52 LEU HD22 H 1 0.78 0.01 . 1 . . . . . . . . 6484 1 597 . 1 1 52 52 LEU HD23 H 1 0.78 0.01 . 1 . . . . . . . . 6484 1 598 . 1 1 52 52 LEU C C 13 174.70 0.2 . 1 . . . . . . . . 6484 1 599 . 1 1 52 52 LEU CA C 13 54.19 0.2 . 1 . . . . . . . . 6484 1 600 . 1 1 52 52 LEU CB C 13 39.91 0.2 . 1 . . . . . . . . 6484 1 601 . 1 1 52 52 LEU CG C 13 25.39 0.2 . 1 . . . . . . . . 6484 1 602 . 1 1 52 52 LEU CD1 C 13 19.43 0.2 . 1 . . . . . . . . 6484 1 603 . 1 1 52 52 LEU CD2 C 13 19.43 0.2 . 1 . . . . . . . . 6484 1 604 . 1 1 52 52 LEU N N 15 118.10 0.2 . 1 . . . . . . . . 6484 1 605 . 1 1 53 53 LEU H H 1 7.78 0.01 . 1 . . . . . . . . 6484 1 606 . 1 1 53 53 LEU HA H 1 4.53 0.01 . 1 . . . . . . . . 6484 1 607 . 1 1 53 53 LEU HB2 H 1 1.63 0.01 . 2 . . . . . . . . 6484 1 608 . 1 1 53 53 LEU HB3 H 1 1.58 0.01 . 2 . . . . . . . . 6484 1 609 . 1 1 53 53 LEU HG H 1 1.5 0.01 . 1 . . . . . . . . 6484 1 610 . 1 1 53 53 LEU HD11 H 1 0.75 0.01 . 1 . . . . . . . . 6484 1 611 . 1 1 53 53 LEU HD12 H 1 0.75 0.01 . 1 . . . . . . . . 6484 1 612 . 1 1 53 53 LEU HD13 H 1 0.75 0.01 . 1 . . . . . . . . 6484 1 613 . 1 1 53 53 LEU HD21 H 1 0.75 0.01 . 1 . . . . . . . . 6484 1 614 . 1 1 53 53 LEU HD22 H 1 0.75 0.01 . 1 . . . . . . . . 6484 1 615 . 1 1 53 53 LEU HD23 H 1 0.75 0.01 . 1 . . . . . . . . 6484 1 616 . 1 1 53 53 LEU C C 13 173.20 0.2 . 1 . . . . . . . . 6484 1 617 . 1 1 53 53 LEU CA C 13 50.82 0.2 . 1 . . . . . . . . 6484 1 618 . 1 1 53 53 LEU CB C 13 38.02 0.2 . 1 . . . . . . . . 6484 1 619 . 1 1 53 53 LEU CG C 13 23.98 0.2 . 1 . . . . . . . . 6484 1 620 . 1 1 53 53 LEU CD1 C 13 21.79 0.2 . 1 . . . . . . . . 6484 1 621 . 1 1 53 53 LEU CD2 C 13 21.79 0.2 . 1 . . . . . . . . 6484 1 622 . 1 1 53 53 LEU N N 15 117.60 0.2 . 1 . . . . . . . . 6484 1 623 . 1 1 54 54 LYS H H 1 7.1 0.01 . 1 . . . . . . . . 6484 1 624 . 1 1 54 54 LYS HA H 1 3.97 0.01 . 1 . . . . . . . . 6484 1 625 . 1 1 54 54 LYS HB2 H 1 1.8 0.01 . 2 . . . . . . . . 6484 1 626 . 1 1 54 54 LYS HB3 H 1 1.75 0.01 . 2 . . . . . . . . 6484 1 627 . 1 1 54 54 LYS HG2 H 1 1.28 0.01 . 1 . . . . . . . . 6484 1 628 . 1 1 54 54 LYS HG3 H 1 1.28 0.01 . 1 . . . . . . . . 6484 1 629 . 1 1 54 54 LYS HD2 H 1 1.69 0.01 . 1 . . . . . . . . 6484 1 630 . 1 1 54 54 LYS HD3 H 1 1.69 0.01 . 1 . . . . . . . . 6484 1 631 . 1 1 54 54 LYS HE2 H 1 3.1 0.01 . 1 . . . . . . . . 6484 1 632 . 1 1 54 54 LYS HE3 H 1 3.1 0.01 . 1 . . . . . . . . 6484 1 633 . 1 1 54 54 LYS C C 13 174.10 0.2 . 1 . . . . . . . . 6484 1 634 . 1 1 54 54 LYS CA C 13 55.81 0.2 . 1 . . . . . . . . 6484 1 635 . 1 1 54 54 LYS CB C 13 29.96 0.2 . 1 . . . . . . . . 6484 1 636 . 1 1 54 54 LYS CG C 13 21.45 0.2 . 1 . . . . . . . . 6484 1 637 . 1 1 54 54 LYS CD C 13 26.57 0.2 . 1 . . . . . . . . 6484 1 638 . 1 1 54 54 LYS CE C 13 39.45 0.2 . 1 . . . . . . . . 6484 1 639 . 1 1 54 54 LYS N N 15 120.20 0.2 . 1 . . . . . . . . 6484 1 640 . 1 1 55 55 ASP H H 1 8.41 0.01 . 1 . . . . . . . . 6484 1 641 . 1 1 55 55 ASP HA H 1 4.68 0.01 . 1 . . . . . . . . 6484 1 642 . 1 1 55 55 ASP HB2 H 1 2.74 0.01 . 2 . . . . . . . . 6484 1 643 . 1 1 55 55 ASP HB3 H 1 2.46 0.01 . 2 . . . . . . . . 6484 1 644 . 1 1 55 55 ASP C C 13 174.20 0.2 . 1 . . . . . . . . 6484 1 645 . 1 1 55 55 ASP CA C 13 51.13 0.2 . 1 . . . . . . . . 6484 1 646 . 1 1 55 55 ASP CB C 13 37.71 0.2 . 1 . . . . . . . . 6484 1 647 . 1 1 55 55 ASP N N 15 118.20 0.2 . 1 . . . . . . . . 6484 1 648 . 1 1 56 56 VAL H H 1 7.58 0.01 . 1 . . . . . . . . 6484 1 649 . 1 1 56 56 VAL HA H 1 3.84 0.01 . 1 . . . . . . . . 6484 1 650 . 1 1 56 56 VAL HB H 1 2.06 0.01 . 1 . . . . . . . . 6484 1 651 . 1 1 56 56 VAL HG11 H 1 0.78 0.01 . 1 . . . . . . . . 6484 1 652 . 1 1 56 56 VAL HG12 H 1 0.78 0.01 . 1 . . . . . . . . 6484 1 653 . 1 1 56 56 VAL HG13 H 1 0.78 0.01 . 1 . . . . . . . . 6484 1 654 . 1 1 56 56 VAL HG21 H 1 0.75 0.01 . 1 . . . . . . . . 6484 1 655 . 1 1 56 56 VAL HG22 H 1 0.75 0.01 . 1 . . . . . . . . 6484 1 656 . 1 1 56 56 VAL HG23 H 1 0.75 0.01 . 1 . . . . . . . . 6484 1 657 . 1 1 56 56 VAL C C 13 173.60 0.2 . 1 . . . . . . . . 6484 1 658 . 1 1 56 56 VAL CA C 13 60.30 0.2 . 1 . . . . . . . . 6484 1 659 . 1 1 56 56 VAL CB C 13 29.27 0.2 . 1 . . . . . . . . 6484 1 660 . 1 1 56 56 VAL CG1 C 13 18.42 0.2 . 1 . . . . . . . . 6484 1 661 . 1 1 56 56 VAL CG2 C 13 18.42 0.2 . 1 . . . . . . . . 6484 1 662 . 1 1 56 56 VAL N N 15 119.50 0.2 . 1 . . . . . . . . 6484 1 663 . 1 1 57 57 GLY H H 1 8.58 0.01 . 1 . . . . . . . . 6484 1 664 . 1 1 57 57 GLY HA2 H 1 3.96 0.01 . 2 . . . . . . . . 6484 1 665 . 1 1 57 57 GLY HA3 H 1 3.72 0.01 . 2 . . . . . . . . 6484 1 666 . 1 1 57 57 GLY C C 13 171.50 0.2 . 1 . . . . . . . . 6484 1 667 . 1 1 57 57 GLY CA C 13 42.80 0.2 . 1 . . . . . . . . 6484 1 668 . 1 1 57 57 GLY N N 15 112.30 0.2 . 1 . . . . . . . . 6484 1 669 . 1 1 58 58 SER H H 1 7.99 0.01 . 1 . . . . . . . . 6484 1 670 . 1 1 58 58 SER HA H 1 3.97 0.01 . 1 . . . . . . . . 6484 1 671 . 1 1 58 58 SER HB2 H 1 3.75 0.01 . 1 . . . . . . . . 6484 1 672 . 1 1 58 58 SER HB3 H 1 3.75 0.01 . 1 . . . . . . . . 6484 1 673 . 1 1 58 58 SER CA C 13 54.24 0.2 . 1 . . . . . . . . 6484 1 674 . 1 1 58 58 SER CB C 13 61.08 0.2 . 1 . . . . . . . . 6484 1 675 . 1 1 58 58 SER N N 15 114.90 0.2 . 1 . . . . . . . . 6484 1 676 . 1 1 59 59 LEU HA H 1 3.41 0.01 . 1 . . . . . . . . 6484 1 677 . 1 1 59 59 LEU CA C 13 55.80 0.2 . 1 . . . . . . . . 6484 1 678 . 1 1 59 59 LEU CB C 13 39.28 0.2 . 1 . . . . . . . . 6484 1 679 . 1 1 59 59 LEU CG C 13 24.55 0.2 . 1 . . . . . . . . 6484 1 680 . 1 1 59 59 LEU CD1 C 13 23.65 0.2 . 1 . . . . . . . . 6484 1 681 . 1 1 59 59 LEU CD2 C 13 20.10 0.2 . 1 . . . . . . . . 6484 1 682 . 1 1 60 60 ASP H H 1 8.2 0.01 . 1 . . . . . . . . 6484 1 683 . 1 1 60 60 ASP HA H 1 4.28 0.01 . 1 . . . . . . . . 6484 1 684 . 1 1 60 60 ASP HB2 H 1 2.52 0.01 . 2 . . . . . . . . 6484 1 685 . 1 1 60 60 ASP HB3 H 1 2.48 0.01 . 2 . . . . . . . . 6484 1 686 . 1 1 60 60 ASP C C 13 176.00 0.2 . 1 . . . . . . . . 6484 1 687 . 1 1 60 60 ASP CA C 13 55.00 0.2 . 1 . . . . . . . . 6484 1 688 . 1 1 60 60 ASP CB C 13 37.84 0.2 . 1 . . . . . . . . 6484 1 689 . 1 1 60 60 ASP N N 15 118.90 0.2 . 1 . . . . . . . . 6484 1 690 . 1 1 61 61 GLU H H 1 7.79 0.01 . 1 . . . . . . . . 6484 1 691 . 1 1 61 61 GLU HA H 1 3.51 0.01 . 1 . . . . . . . . 6484 1 692 . 1 1 61 61 GLU HB2 H 1 2.02 0.01 . 2 . . . . . . . . 6484 1 693 . 1 1 61 61 GLU HB3 H 1 1.83 0.01 . 2 . . . . . . . . 6484 1 694 . 1 1 61 61 GLU HG2 H 1 2.25 0.01 . 2 . . . . . . . . 6484 1 695 . 1 1 61 61 GLU HG3 H 1 2.15 0.01 . 2 . . . . . . . . 6484 1 696 . 1 1 61 61 GLU C C 13 176.70 0.2 . 1 . . . . . . . . 6484 1 697 . 1 1 61 61 GLU CA C 13 55.92 0.2 . 1 . . . . . . . . 6484 1 698 . 1 1 61 61 GLU CB C 13 26.65 0.2 . 1 . . . . . . . . 6484 1 699 . 1 1 61 61 GLU CG C 13 33.26 0.2 . 1 . . . . . . . . 6484 1 700 . 1 1 61 61 GLU N N 15 119.70 0.2 . 1 . . . . . . . . 6484 1 701 . 1 1 62 62 LYS H H 1 7.93 0.01 . 1 . . . . . . . . 6484 1 702 . 1 1 62 62 LYS HA H 1 4.14 0.01 . 1 . . . . . . . . 6484 1 703 . 1 1 62 62 LYS HB2 H 1 1.86 0.01 . 2 . . . . . . . . 6484 1 704 . 1 1 62 62 LYS HB3 H 1 1.8 0.01 . 2 . . . . . . . . 6484 1 705 . 1 1 62 62 LYS HG2 H 1 1.22 0.01 . 1 . . . . . . . . 6484 1 706 . 1 1 62 62 LYS HG3 H 1 1.22 0.01 . 1 . . . . . . . . 6484 1 707 . 1 1 62 62 LYS HD2 H 1 1.73 0.01 . 2 . . . . . . . . 6484 1 708 . 1 1 62 62 LYS HD3 H 1 1.65 0.01 . 2 . . . . . . . . 6484 1 709 . 1 1 62 62 LYS C C 13 175.70 0.2 . 1 . . . . . . . . 6484 1 710 . 1 1 62 62 LYS CA C 13 54.88 0.2 . 1 . . . . . . . . 6484 1 711 . 1 1 62 62 LYS CB C 13 28.83 0.2 . 1 . . . . . . . . 6484 1 712 . 1 1 62 62 LYS CG C 13 20.16 0.2 . 1 . . . . . . . . 6484 1 713 . 1 1 62 62 LYS CD C 13 23.81 0.2 . 1 . . . . . . . . 6484 1 714 . 1 1 62 62 LYS CE C 13 39.17 0.2 . 1 . . . . . . . . 6484 1 715 . 1 1 62 62 LYS N N 15 120.70 0.2 . 1 . . . . . . . . 6484 1 716 . 1 1 63 63 MET H H 1 8.23 0.01 . 1 . . . . . . . . 6484 1 717 . 1 1 63 63 MET HA H 1 3.3 0.01 . 1 . . . . . . . . 6484 1 718 . 1 1 63 63 MET HB2 H 1 1.72 0.01 . 2 . . . . . . . . 6484 1 719 . 1 1 63 63 MET HB3 H 1 1.65 0.01 . 2 . . . . . . . . 6484 1 720 . 1 1 63 63 MET HG2 H 1 2.21 0.01 . 2 . . . . . . . . 6484 1 721 . 1 1 63 63 MET HG3 H 1 2.1 0.01 . 2 . . . . . . . . 6484 1 722 . 1 1 63 63 MET C C 13 174.10 0.2 . 1 . . . . . . . . 6484 1 723 . 1 1 63 63 MET CA C 13 56.64 0.2 . 1 . . . . . . . . 6484 1 724 . 1 1 63 63 MET CB C 13 28.52 0.2 . 1 . . . . . . . . 6484 1 725 . 1 1 63 63 MET CG C 13 30.11 0.2 . 1 . . . . . . . . 6484 1 726 . 1 1 63 63 MET N N 15 119.10 0.2 . 1 . . . . . . . . 6484 1 727 . 1 1 64 64 LYS H H 1 7.16 0.01 . 1 . . . . . . . . 6484 1 728 . 1 1 64 64 LYS HA H 1 4.03 0.01 . 1 . . . . . . . . 6484 1 729 . 1 1 64 64 LYS HB2 H 1 1.89 0.01 . 2 . . . . . . . . 6484 1 730 . 1 1 64 64 LYS HB3 H 1 1.8 0.01 . 2 . . . . . . . . 6484 1 731 . 1 1 64 64 LYS HG2 H 1 1.36 0.01 . 1 . . . . . . . . 6484 1 732 . 1 1 64 64 LYS HG3 H 1 1.36 0.01 . 1 . . . . . . . . 6484 1 733 . 1 1 64 64 LYS HD2 H 1 1.6 0.01 . 1 . . . . . . . . 6484 1 734 . 1 1 64 64 LYS HD3 H 1 1.6 0.01 . 1 . . . . . . . . 6484 1 735 . 1 1 64 64 LYS C C 13 176.50 0.2 . 1 . . . . . . . . 6484 1 736 . 1 1 64 64 LYS CA C 13 57.16 0.2 . 1 . . . . . . . . 6484 1 737 . 1 1 64 64 LYS CB C 13 29.62 0.2 . 1 . . . . . . . . 6484 1 738 . 1 1 64 64 LYS CG C 13 22.58 0.2 . 1 . . . . . . . . 6484 1 739 . 1 1 64 64 LYS CD C 13 26.91 0.2 . 1 . . . . . . . . 6484 1 740 . 1 1 64 64 LYS CE C 13 39.50 0.2 . 1 . . . . . . . . 6484 1 741 . 1 1 64 64 LYS N N 15 116.00 0.2 . 1 . . . . . . . . 6484 1 742 . 1 1 65 65 THR H H 1 7.8 0.01 . 1 . . . . . . . . 6484 1 743 . 1 1 65 65 THR HA H 1 4.19 0.01 . 1 . . . . . . . . 6484 1 744 . 1 1 65 65 THR HB H 1 3.96 0.01 . 1 . . . . . . . . 6484 1 745 . 1 1 65 65 THR HG21 H 1 1.21 0.01 . 1 . . . . . . . . 6484 1 746 . 1 1 65 65 THR HG22 H 1 1.21 0.01 . 1 . . . . . . . . 6484 1 747 . 1 1 65 65 THR HG23 H 1 1.21 0.01 . 1 . . . . . . . . 6484 1 748 . 1 1 65 65 THR C C 13 173.60 0.2 . 1 . . . . . . . . 6484 1 749 . 1 1 65 65 THR CA C 13 62.49 0.2 . 1 . . . . . . . . 6484 1 750 . 1 1 65 65 THR CB C 13 66.62 0.2 . 1 . . . . . . . . 6484 1 751 . 1 1 65 65 THR CG2 C 13 19.37 0.2 . 1 . . . . . . . . 6484 1 752 . 1 1 65 65 THR N N 15 111.50 0.2 . 1 . . . . . . . . 6484 1 753 . 1 1 66 66 LEU H H 1 7.54 0.01 . 1 . . . . . . . . 6484 1 754 . 1 1 66 66 LEU HA H 1 4.18 0.01 . 1 . . . . . . . . 6484 1 755 . 1 1 66 66 LEU HB2 H 1 1.65 0.01 . 2 . . . . . . . . 6484 1 756 . 1 1 66 66 LEU HB3 H 1 1.6 0.01 . 2 . . . . . . . . 6484 1 757 . 1 1 66 66 LEU HG H 1 1.17 0.01 . 1 . . . . . . . . 6484 1 758 . 1 1 66 66 LEU HD11 H 1 0.8 0.01 . 2 . . . . . . . . 6484 1 759 . 1 1 66 66 LEU HD12 H 1 0.8 0.01 . 2 . . . . . . . . 6484 1 760 . 1 1 66 66 LEU HD13 H 1 0.8 0.01 . 2 . . . . . . . . 6484 1 761 . 1 1 66 66 LEU HD21 H 1 0.75 0.01 . 2 . . . . . . . . 6484 1 762 . 1 1 66 66 LEU HD22 H 1 0.75 0.01 . 2 . . . . . . . . 6484 1 763 . 1 1 66 66 LEU HD23 H 1 0.75 0.01 . 2 . . . . . . . . 6484 1 764 . 1 1 66 66 LEU C C 13 173.80 0.2 . 1 . . . . . . . . 6484 1 765 . 1 1 66 66 LEU CA C 13 52.51 0.2 . 1 . . . . . . . . 6484 1 766 . 1 1 66 66 LEU CB C 13 41.01 0.2 . 1 . . . . . . . . 6484 1 767 . 1 1 66 66 LEU CG C 13 25.78 0.2 . 1 . . . . . . . . 6484 1 768 . 1 1 66 66 LEU CD1 C 13 23.76 0.2 . 1 . . . . . . . . 6484 1 769 . 1 1 66 66 LEU CD2 C 13 23.76 0.2 . 1 . . . . . . . . 6484 1 770 . 1 1 66 66 LEU N N 15 120.20 0.2 . 1 . . . . . . . . 6484 1 771 . 1 1 67 67 ASP H H 1 7.56 0.01 . 1 . . . . . . . . 6484 1 772 . 1 1 67 67 ASP HA H 1 4.6 0.01 . 1 . . . . . . . . 6484 1 773 . 1 1 67 67 ASP HB2 H 1 2.86 0.01 . 1 . . . . . . . . 6484 1 774 . 1 1 67 67 ASP HB3 H 1 2.86 0.01 . 1 . . . . . . . . 6484 1 775 . 1 1 67 67 ASP C C 13 175.00 0.2 . 1 . . . . . . . . 6484 1 776 . 1 1 67 67 ASP CA C 13 49.72 0.2 . 1 . . . . . . . . 6484 1 777 . 1 1 67 67 ASP CB C 13 36.36 0.2 . 1 . . . . . . . . 6484 1 778 . 1 1 67 67 ASP N N 15 119.30 0.2 . 1 . . . . . . . . 6484 1 779 . 1 1 68 68 VAL H H 1 8.04 0.01 . 1 . . . . . . . . 6484 1 780 . 1 1 68 68 VAL HA H 1 3.88 0.01 . 1 . . . . . . . . 6484 1 781 . 1 1 68 68 VAL HB H 1 2.21 0.01 . 1 . . . . . . . . 6484 1 782 . 1 1 68 68 VAL HG11 H 1 1.01 0.01 . 1 . . . . . . . . 6484 1 783 . 1 1 68 68 VAL HG12 H 1 1.01 0.01 . 1 . . . . . . . . 6484 1 784 . 1 1 68 68 VAL HG13 H 1 1.01 0.01 . 1 . . . . . . . . 6484 1 785 . 1 1 68 68 VAL HG21 H 1 1.01 0.01 . 1 . . . . . . . . 6484 1 786 . 1 1 68 68 VAL HG22 H 1 1.01 0.01 . 1 . . . . . . . . 6484 1 787 . 1 1 68 68 VAL HG23 H 1 1.01 0.01 . 1 . . . . . . . . 6484 1 788 . 1 1 68 68 VAL C C 13 174.70 0.2 . 1 . . . . . . . . 6484 1 789 . 1 1 68 68 VAL CA C 13 62.39 0.2 . 1 . . . . . . . . 6484 1 790 . 1 1 68 68 VAL CB C 13 29.07 0.2 . 1 . . . . . . . . 6484 1 791 . 1 1 68 68 VAL CG1 C 13 20.16 0.2 . 1 . . . . . . . . 6484 1 792 . 1 1 68 68 VAL CG2 C 13 20.16 0.2 . 1 . . . . . . . . 6484 1 793 . 1 1 68 68 VAL N N 15 123.20 0.2 . 1 . . . . . . . . 6484 1 794 . 1 1 69 69 ASN H H 1 7.84 0.01 . 1 . . . . . . . . 6484 1 795 . 1 1 69 69 ASN HA H 1 4.82 0.01 . 1 . . . . . . . . 6484 1 796 . 1 1 69 69 ASN HB2 H 1 3.23 0.01 . 2 . . . . . . . . 6484 1 797 . 1 1 69 69 ASN HB3 H 1 2.71 0.01 . 2 . . . . . . . . 6484 1 798 . 1 1 69 69 ASN C C 13 171.50 0.2 . 1 . . . . . . . . 6484 1 799 . 1 1 69 69 ASN CA C 13 49.13 0.2 . 1 . . . . . . . . 6484 1 800 . 1 1 69 69 ASN CB C 13 34.44 0.2 . 1 . . . . . . . . 6484 1 801 . 1 1 69 69 ASN N N 15 114.90 0.2 . 1 . . . . . . . . 6484 1 802 . 1 1 70 70 GLN H H 1 7.76 0.01 . 1 . . . . . . . . 6484 1 803 . 1 1 70 70 GLN HA H 1 3.97 0.01 . 1 . . . . . . . . 6484 1 804 . 1 1 70 70 GLN HB2 H 1 2.15 0.01 . 2 . . . . . . . . 6484 1 805 . 1 1 70 70 GLN HB3 H 1 2.05 0.01 . 2 . . . . . . . . 6484 1 806 . 1 1 70 70 GLN HG2 H 1 2.28 0.01 . 1 . . . . . . . . 6484 1 807 . 1 1 70 70 GLN HG3 H 1 2.28 0.01 . 1 . . . . . . . . 6484 1 808 . 1 1 70 70 GLN HE21 H 1 7.9 0.01 . 2 . . . . . . . . 6484 1 809 . 1 1 70 70 GLN HE22 H 1 6.85 0.01 . 2 . . . . . . . . 6484 1 810 . 1 1 70 70 GLN C C 13 175.00 0.2 . 1 . . . . . . . . 6484 1 811 . 1 1 70 70 GLN CA C 13 54.57 0.2 . 1 . . . . . . . . 6484 1 812 . 1 1 70 70 GLN CB C 13 23.77 0.2 . 1 . . . . . . . . 6484 1 813 . 1 1 70 70 GLN CG C 13 31.74 0.2 . 1 . . . . . . . . 6484 1 814 . 1 1 70 70 GLN N N 15 114.80 0.2 . 1 . . . . . . . . 6484 1 815 . 1 1 70 70 GLN NE2 N 15 112.10 0.2 . 1 . . . . . . . . 6484 1 816 . 1 1 71 71 ASP H H 1 8.38 0.01 . 1 . . . . . . . . 6484 1 817 . 1 1 71 71 ASP HA H 1 4.82 0.01 . 1 . . . . . . . . 6484 1 818 . 1 1 71 71 ASP HB2 H 1 3.05 0.01 . 1 . . . . . . . . 6484 1 819 . 1 1 71 71 ASP HB3 H 1 3.05 0.01 . 1 . . . . . . . . 6484 1 820 . 1 1 71 71 ASP C C 13 174.50 0.2 . 1 . . . . . . . . 6484 1 821 . 1 1 71 71 ASP CA C 13 50.10 0.2 . 1 . . . . . . . . 6484 1 822 . 1 1 71 71 ASP CB C 13 37.81 0.2 . 1 . . . . . . . . 6484 1 823 . 1 1 71 71 ASP N N 15 118.20 0.2 . 1 . . . . . . . . 6484 1 824 . 1 1 72 72 SER H H 1 10.37 0.01 . 1 . . . . . . . . 6484 1 825 . 1 1 72 72 SER HA H 1 4.27 0.01 . 1 . . . . . . . . 6484 1 826 . 1 1 72 72 SER HB2 H 1 3.99 0.01 . 2 . . . . . . . . 6484 1 827 . 1 1 72 72 SER HB3 H 1 3.7 0.01 . 2 . . . . . . . . 6484 1 828 . 1 1 72 72 SER C C 13 169.20 0.2 . 1 . . . . . . . . 6484 1 829 . 1 1 72 72 SER CA C 13 57.51 0.2 . 1 . . . . . . . . 6484 1 830 . 1 1 72 72 SER CB C 13 59.36 0.2 . 1 . . . . . . . . 6484 1 831 . 1 1 72 72 SER N N 15 115.50 0.2 . 1 . . . . . . . . 6484 1 832 . 1 1 73 73 GLU H H 1 7.57 0.01 . 1 . . . . . . . . 6484 1 833 . 1 1 73 73 GLU HA H 1 4.95 0.01 . 1 . . . . . . . . 6484 1 834 . 1 1 73 73 GLU HB2 H 1 1.76 0.01 . 2 . . . . . . . . 6484 1 835 . 1 1 73 73 GLU HB3 H 1 1.51 0.01 . 2 . . . . . . . . 6484 1 836 . 1 1 73 73 GLU HG2 H 1 2.02 0.01 . 2 . . . . . . . . 6484 1 837 . 1 1 73 73 GLU HG3 H 1 1.95 0.01 . 2 . . . . . . . . 6484 1 838 . 1 1 73 73 GLU C C 13 173.50 0.2 . 1 . . . . . . . . 6484 1 839 . 1 1 73 73 GLU CA C 13 50.96 0.2 . 1 . . . . . . . . 6484 1 840 . 1 1 73 73 GLU CB C 13 30.68 0.2 . 1 . . . . . . . . 6484 1 841 . 1 1 73 73 GLU CG C 13 32.39 0.2 . 1 . . . . . . . . 6484 1 842 . 1 1 73 73 GLU N N 15 116.40 0.2 . 1 . . . . . . . . 6484 1 843 . 1 1 74 74 LEU H H 1 10.36 0.01 . 1 . . . . . . . . 6484 1 844 . 1 1 74 74 LEU HA H 1 5.72 0.01 . 1 . . . . . . . . 6484 1 845 . 1 1 74 74 LEU HB2 H 1 2.14 0.01 . 1 . . . . . . . . 6484 1 846 . 1 1 74 74 LEU HB3 H 1 2.14 0.01 . 1 . . . . . . . . 6484 1 847 . 1 1 74 74 LEU HG H 1 1.47 0.01 . 1 . . . . . . . . 6484 1 848 . 1 1 74 74 LEU HD11 H 1 0.58 0.01 . 1 . . . . . . . . 6484 1 849 . 1 1 74 74 LEU HD12 H 1 0.58 0.01 . 1 . . . . . . . . 6484 1 850 . 1 1 74 74 LEU HD13 H 1 0.58 0.01 . 1 . . . . . . . . 6484 1 851 . 1 1 74 74 LEU HD21 H 1 0.58 0.01 . 1 . . . . . . . . 6484 1 852 . 1 1 74 74 LEU HD22 H 1 0.58 0.01 . 1 . . . . . . . . 6484 1 853 . 1 1 74 74 LEU HD23 H 1 0.58 0.01 . 1 . . . . . . . . 6484 1 854 . 1 1 74 74 LEU C C 13 174.90 0.01 . 1 . . . . . . . . 6484 1 855 . 1 1 74 74 LEU CA C 13 49.93 0.2 . 1 . . . . . . . . 6484 1 856 . 1 1 74 74 LEU CB C 13 39.74 0.2 . 1 . . . . . . . . 6484 1 857 . 1 1 74 74 LEU CG C 13 23.81 0.2 . 1 . . . . . . . . 6484 1 858 . 1 1 74 74 LEU CD1 C 13 20.33 0.2 . 1 . . . . . . . . 6484 1 859 . 1 1 74 74 LEU CD2 C 13 20.33 0.2 . 1 . . . . . . . . 6484 1 860 . 1 1 74 74 LEU N N 15 123.50 0.2 . 1 . . . . . . . . 6484 1 861 . 1 1 75 75 ARG H H 1 8.92 0.01 . 1 . . . . . . . . 6484 1 862 . 1 1 75 75 ARG HA H 1 4.85 0.01 . 1 . . . . . . . . 6484 1 863 . 1 1 75 75 ARG HB2 H 1 2.28 0.01 . 2 . . . . . . . . 6484 1 864 . 1 1 75 75 ARG HB3 H 1 1.99 0.01 . 2 . . . . . . . . 6484 1 865 . 1 1 75 75 ARG HG2 H 1 1.72 0.01 . 1 . . . . . . . . 6484 1 866 . 1 1 75 75 ARG HG3 H 1 1.72 0.01 . 1 . . . . . . . . 6484 1 867 . 1 1 75 75 ARG HD2 H 1 3.08 0.01 . 1 . . . . . . . . 6484 1 868 . 1 1 75 75 ARG HD3 H 1 3.08 0.01 . 1 . . . . . . . . 6484 1 869 . 1 1 75 75 ARG C C 13 174.30 0.2 . 1 . . . . . . . . 6484 1 870 . 1 1 75 75 ARG CA C 13 52.82 0.2 . 1 . . . . . . . . 6484 1 871 . 1 1 75 75 ARG CB C 13 28.65 0.2 . 1 . . . . . . . . 6484 1 872 . 1 1 75 75 ARG CG C 13 27.50 0.2 . 1 . . . . . . . . 6484 1 873 . 1 1 75 75 ARG CD C 13 40.85 0.2 . 1 . . . . . . . . 6484 1 874 . 1 1 75 75 ARG N N 15 123.70 0.2 . 1 . . . . . . . . 6484 1 875 . 1 1 76 76 PHE H H 1 9.52 0.01 . 1 . . . . . . . . 6484 1 876 . 1 1 76 76 PHE HA H 1 4.7 0.01 . 1 . . . . . . . . 6484 1 877 . 1 1 76 76 PHE HB2 H 1 2.91 0.01 . 2 . . . . . . . . 6484 1 878 . 1 1 76 76 PHE HB3 H 1 2.63 0.01 . 2 . . . . . . . . 6484 1 879 . 1 1 76 76 PHE C C 13 174.40 0.2 . 1 . . . . . . . . 6484 1 880 . 1 1 76 76 PHE CA C 13 61.16 0.2 . 1 . . . . . . . . 6484 1 881 . 1 1 76 76 PHE CB C 13 35.57 0.2 . 1 . . . . . . . . 6484 1 882 . 1 1 76 76 PHE CD1 C 13 132.00 0.2 . 1 . . . . . . . . 6484 1 883 . 1 1 76 76 PHE CD2 C 13 132.00 0.2 . 1 . . . . . . . . 6484 1 884 . 1 1 76 76 PHE CE1 C 13 130.50 0.2 . 1 . . . . . . . . 6484 1 885 . 1 1 76 76 PHE CE2 C 13 130.50 0.2 . 1 . . . . . . . . 6484 1 886 . 1 1 76 76 PHE N N 15 124.40 0.2 . 1 . . . . . . . . 6484 1 887 . 1 1 77 77 SER H H 1 8.95 0.01 . 1 . . . . . . . . 6484 1 888 . 1 1 77 77 SER HA H 1 4.03 0.01 . 1 . . . . . . . . 6484 1 889 . 1 1 77 77 SER HB2 H 1 3.96 0.01 . 1 . . . . . . . . 6484 1 890 . 1 1 77 77 SER HB3 H 1 3.96 0.01 . 1 . . . . . . . . 6484 1 891 . 1 1 77 77 SER C C 13 174.30 0.2 . 1 . . . . . . . . 6484 1 892 . 1 1 77 77 SER CA C 13 57.55 0.2 . 1 . . . . . . . . 6484 1 893 . 1 1 77 77 SER CB C 13 59.22 0.2 . 1 . . . . . . . . 6484 1 894 . 1 1 77 77 SER N N 15 113.20 0.2 . 1 . . . . . . . . 6484 1 895 . 1 1 78 78 GLU H H 1 7.08 0.01 . 1 . . . . . . . . 6484 1 896 . 1 1 78 78 GLU HA H 1 4.4 0.01 . 1 . . . . . . . . 6484 1 897 . 1 1 78 78 GLU HB2 H 1 2.29 0.01 . 2 . . . . . . . . 6484 1 898 . 1 1 78 78 GLU HB3 H 1 2.1 0.01 . 2 . . . . . . . . 6484 1 899 . 1 1 78 78 GLU HG2 H 1 2.42 0.01 . 2 . . . . . . . . 6484 1 900 . 1 1 78 78 GLU HG3 H 1 2.4 0.01 . 2 . . . . . . . . 6484 1 901 . 1 1 78 78 GLU C C 13 176.50 0.2 . 1 . . . . . . . . 6484 1 902 . 1 1 78 78 GLU CA C 13 55.73 0.2 . 1 . . . . . . . . 6484 1 903 . 1 1 78 78 GLU CB C 13 27.71 0.2 . 1 . . . . . . . . 6484 1 904 . 1 1 78 78 GLU CG C 13 42.60 0.2 . 1 . . . . . . . . 6484 1 905 . 1 1 78 78 GLU N N 15 123.70 0.2 . 1 . . . . . . . . 6484 1 906 . 1 1 79 79 TYR H H 1 7.84 0.01 . 1 . . . . . . . . 6484 1 907 . 1 1 79 79 TYR HA H 1 4.08 0.01 . 1 . . . . . . . . 6484 1 908 . 1 1 79 79 TYR HB2 H 1 2.85 0.01 . 2 . . . . . . . . 6484 1 909 . 1 1 79 79 TYR HB3 H 1 2.7 0.01 . 2 . . . . . . . . 6484 1 910 . 1 1 79 79 TYR HD1 H 1 6.99 0.01 . 1 . . . . . . . . 6484 1 911 . 1 1 79 79 TYR HD2 H 1 6.99 0.01 . 1 . . . . . . . . 6484 1 912 . 1 1 79 79 TYR HE1 H 1 6.67 0.01 . 1 . . . . . . . . 6484 1 913 . 1 1 79 79 TYR HE2 H 1 6.67 0.01 . 1 . . . . . . . . 6484 1 914 . 1 1 79 79 TYR C C 13 176.20 0.2 . 1 . . . . . . . . 6484 1 915 . 1 1 79 79 TYR CA C 13 57.77 0.2 . 1 . . . . . . . . 6484 1 916 . 1 1 79 79 TYR CB C 13 36.64 0.2 . 1 . . . . . . . . 6484 1 917 . 1 1 79 79 TYR CD1 C 13 131.50 0.2 . 1 . . . . . . . . 6484 1 918 . 1 1 79 79 TYR CD2 C 13 131.50 0.2 . 1 . . . . . . . . 6484 1 919 . 1 1 79 79 TYR CE1 C 13 120.00 0.2 . 1 . . . . . . . . 6484 1 920 . 1 1 79 79 TYR CE2 C 13 120.00 0.2 . 1 . . . . . . . . 6484 1 921 . 1 1 79 79 TYR N N 15 121.10 0.2 . 1 . . . . . . . . 6484 1 922 . 1 1 80 80 TRP H H 1 9.3 0.01 . 1 . . . . . . . . 6484 1 923 . 1 1 80 80 TRP HA H 1 3.74 0.01 . 1 . . . . . . . . 6484 1 924 . 1 1 80 80 TRP HB2 H 1 3.01 0.01 . 2 . . . . . . . . 6484 1 925 . 1 1 80 80 TRP HB3 H 1 2.74 0.01 . 2 . . . . . . . . 6484 1 926 . 1 1 80 80 TRP HD1 H 1 7.16 0.01 . 1 . . . . . . . . 6484 1 927 . 1 1 80 80 TRP HE1 H 1 10.24 0.01 . 1 . . . . . . . . 6484 1 928 . 1 1 80 80 TRP C C 13 175.50 0.2 . 1 . . . . . . . . 6484 1 929 . 1 1 80 80 TRP CA C 13 56.64 0.2 . 1 . . . . . . . . 6484 1 930 . 1 1 80 80 TRP CB C 13 26.64 0.2 . 1 . . . . . . . . 6484 1 931 . 1 1 80 80 TRP N N 15 120.80 0.2 . 1 . . . . . . . . 6484 1 932 . 1 1 80 80 TRP NE1 N 15 129.90 0.2 . 1 . . . . . . . . 6484 1 933 . 1 1 81 81 ARG H H 1 7.24 0.01 . 1 . . . . . . . . 6484 1 934 . 1 1 81 81 ARG HA H 1 3.97 0.01 . 1 . . . . . . . . 6484 1 935 . 1 1 81 81 ARG HB2 H 1 1.96 0.01 . 2 . . . . . . . . 6484 1 936 . 1 1 81 81 ARG HB3 H 1 1.9 0.01 . 2 . . . . . . . . 6484 1 937 . 1 1 81 81 ARG HG2 H 1 1.54 0.01 . 2 . . . . . . . . 6484 1 938 . 1 1 81 81 ARG HG3 H 1 1.45 0.01 . 2 . . . . . . . . 6484 1 939 . 1 1 81 81 ARG HD2 H 1 3.18 0.01 . 1 . . . . . . . . 6484 1 940 . 1 1 81 81 ARG HD3 H 1 3.18 0.01 . 1 . . . . . . . . 6484 1 941 . 1 1 81 81 ARG C C 13 176.30 0.2 . 1 . . . . . . . . 6484 1 942 . 1 1 81 81 ARG CA C 13 56.91 0.2 . 1 . . . . . . . . 6484 1 943 . 1 1 81 81 ARG CB C 13 26.69 0.2 . 1 . . . . . . . . 6484 1 944 . 1 1 81 81 ARG CG C 13 24.15 0.2 . 1 . . . . . . . . 6484 1 945 . 1 1 81 81 ARG CD C 13 40.52 0.2 . 1 . . . . . . . . 6484 1 946 . 1 1 81 81 ARG N N 15 118.8 0.2 . 1 . . . . . . . . 6484 1 947 . 1 1 82 82 LEU H H 1 6.88 0.01 . 1 . . . . . . . . 6484 1 948 . 1 1 82 82 LEU HA H 1 3.95 0.01 . 1 . . . . . . . . 6484 1 949 . 1 1 82 82 LEU HB2 H 1 2.25 0.01 . 1 . . . . . . . . 6484 1 950 . 1 1 82 82 LEU HB3 H 1 2.25 0.01 . 1 . . . . . . . . 6484 1 951 . 1 1 82 82 LEU HG H 1 1.51 0.01 . 1 . . . . . . . . 6484 1 952 . 1 1 82 82 LEU HD11 H 1 0.82 0.01 . 1 . . . . . . . . 6484 1 953 . 1 1 82 82 LEU HD12 H 1 0.82 0.01 . 1 . . . . . . . . 6484 1 954 . 1 1 82 82 LEU HD13 H 1 0.82 0.01 . 1 . . . . . . . . 6484 1 955 . 1 1 82 82 LEU HD21 H 1 0.82 0.01 . 1 . . . . . . . . 6484 1 956 . 1 1 82 82 LEU HD22 H 1 0.82 0.01 . 1 . . . . . . . . 6484 1 957 . 1 1 82 82 LEU HD23 H 1 0.82 0.01 . 1 . . . . . . . . 6484 1 958 . 1 1 82 82 LEU C C 13 174.70 0.2 . 1 . . . . . . . . 6484 1 959 . 1 1 82 82 LEU CA C 13 55.03 0.2 . 1 . . . . . . . . 6484 1 960 . 1 1 82 82 LEU CB C 13 37.19 0.2 . 1 . . . . . . . . 6484 1 961 . 1 1 82 82 LEU CG C 13 24.55 0.2 . 1 . . . . . . . . 6484 1 962 . 1 1 82 82 LEU CD1 C 13 19.93 0.2 . 1 . . . . . . . . 6484 1 963 . 1 1 82 82 LEU CD2 C 13 22.52 0.2 . 1 . . . . . . . . 6484 1 964 . 1 1 82 82 LEU N N 15 120.20 0.2 . 1 . . . . . . . . 6484 1 965 . 1 1 83 83 ILE H H 1 7.49 0.01 . 1 . . . . . . . . 6484 1 966 . 1 1 83 83 ILE HA H 1 3.23 0.01 . 1 . . . . . . . . 6484 1 967 . 1 1 83 83 ILE HB H 1 1.42 0.01 . 1 . . . . . . . . 6484 1 968 . 1 1 83 83 ILE HG12 H 1 0.79 0.01 . 2 . . . . . . . . 6484 1 969 . 1 1 83 83 ILE HG13 H 1 1.37 0.01 . 2 . . . . . . . . 6484 1 970 . 1 1 83 83 ILE HG21 H 1 0.75 0.01 . 1 . . . . . . . . 6484 1 971 . 1 1 83 83 ILE HG22 H 1 0.75 0.01 . 1 . . . . . . . . 6484 1 972 . 1 1 83 83 ILE HG23 H 1 0.75 0.01 . 1 . . . . . . . . 6484 1 973 . 1 1 83 83 ILE HD11 H 1 0.7 0.01 . 1 . . . . . . . . 6484 1 974 . 1 1 83 83 ILE HD12 H 1 0.7 0.01 . 1 . . . . . . . . 6484 1 975 . 1 1 83 83 ILE HD13 H 1 0.7 0.01 . 1 . . . . . . . . 6484 1 976 . 1 1 83 83 ILE C C 13 175.30 0.2 . 1 . . . . . . . . 6484 1 977 . 1 1 83 83 ILE CA C 13 59.25 0.2 . 1 . . . . . . . . 6484 1 978 . 1 1 83 83 ILE CB C 13 30.59 0.2 . 1 . . . . . . . . 6484 1 979 . 1 1 83 83 ILE CG1 C 13 24.55 0.2 . 1 . . . . . . . . 6484 1 980 . 1 1 83 83 ILE CG2 C 13 20.50 0.2 . 1 . . . . . . . . 6484 1 981 . 1 1 83 83 ILE CD1 C 13 15.01 0.2 . 1 . . . . . . . . 6484 1 982 . 1 1 83 83 ILE N N 15 117.20 0.2 . 1 . . . . . . . . 6484 1 983 . 1 1 84 84 GLY H H 1 7.79 0.01 . 1 . . . . . . . . 6484 1 984 . 1 1 84 84 GLY HA2 H 1 3.65 0.01 . 1 . . . . . . . . 6484 1 985 . 1 1 84 84 GLY HA3 H 1 3.65 0.01 . 1 . . . . . . . . 6484 1 986 . 1 1 84 84 GLY C C 13 173.60 0.2 . 1 . . . . . . . . 6484 1 987 . 1 1 84 84 GLY CA C 13 44.32 0.2 . 1 . . . . . . . . 6484 1 988 . 1 1 84 84 GLY N N 15 104.50 0.2 . 1 . . . . . . . . 6484 1 989 . 1 1 85 85 GLU H H 1 7.68 0.01 . 1 . . . . . . . . 6484 1 990 . 1 1 85 85 GLU HA H 1 3.81 0.01 . 1 . . . . . . . . 6484 1 991 . 1 1 85 85 GLU HB2 H 1 2.07 0.01 . 2 . . . . . . . . 6484 1 992 . 1 1 85 85 GLU HB3 H 1 1.95 0.01 . 2 . . . . . . . . 6484 1 993 . 1 1 85 85 GLU HG2 H 1 2.3 0.01 . 2 . . . . . . . . 6484 1 994 . 1 1 85 85 GLU HG3 H 1 2.25 0.01 . 2 . . . . . . . . 6484 1 995 . 1 1 85 85 GLU C C 13 176.90 0.2 . 1 . . . . . . . . 6484 1 996 . 1 1 85 85 GLU CA C 13 56.20 0.2 . 1 . . . . . . . . 6484 1 997 . 1 1 85 85 GLU CB C 13 26.51 0.2 . 1 . . . . . . . . 6484 1 998 . 1 1 85 85 GLU CG C 13 33.49 0.2 . 1 . . . . . . . . 6484 1 999 . 1 1 85 85 GLU N N 15 123.10 0.2 . 1 . . . . . . . . 6484 1 1000 . 1 1 86 86 LEU H H 1 8.04 0.01 . 1 . . . . . . . . 6484 1 1001 . 1 1 86 86 LEU HA H 1 3.94 0.01 . 1 . . . . . . . . 6484 1 1002 . 1 1 86 86 LEU HB2 H 1 1.78 0.01 . 2 . . . . . . . . 6484 1 1003 . 1 1 86 86 LEU HB3 H 1 1.65 0.01 . 2 . . . . . . . . 6484 1 1004 . 1 1 86 86 LEU HG H 1 1.45 0.01 . 1 . . . . . . . . 6484 1 1005 . 1 1 86 86 LEU HD11 H 1 0.79 0.01 . 1 . . . . . . . . 6484 1 1006 . 1 1 86 86 LEU HD12 H 1 0.79 0.01 . 1 . . . . . . . . 6484 1 1007 . 1 1 86 86 LEU HD13 H 1 0.79 0.01 . 1 . . . . . . . . 6484 1 1008 . 1 1 86 86 LEU HD21 H 1 0.79 0.01 . 1 . . . . . . . . 6484 1 1009 . 1 1 86 86 LEU HD22 H 1 0.79 0.01 . 1 . . . . . . . . 6484 1 1010 . 1 1 86 86 LEU HD23 H 1 0.79 0.01 . 1 . . . . . . . . 6484 1 1011 . 1 1 86 86 LEU C C 13 176.50 0.2 . 1 . . . . . . . . 6484 1 1012 . 1 1 86 86 LEU CA C 13 54.51 0.2 . 1 . . . . . . . . 6484 1 1013 . 1 1 86 86 LEU CB C 13 38.49 0.2 . 1 . . . . . . . . 6484 1 1014 . 1 1 86 86 LEU CG C 13 29.89 0.2 . 1 . . . . . . . . 6484 1 1015 . 1 1 86 86 LEU CD1 C 13 24.77 0.2 . 1 . . . . . . . . 6484 1 1016 . 1 1 86 86 LEU CD2 C 13 24.77 0.2 . 1 . . . . . . . . 6484 1 1017 . 1 1 86 86 LEU N N 15 118.80 0.2 . 1 . . . . . . . . 6484 1 1018 . 1 1 87 87 ALA H H 1 8.67 0.01 . 1 . . . . . . . . 6484 1 1019 . 1 1 87 87 ALA HA H 1 3.56 0.01 . 1 . . . . . . . . 6484 1 1020 . 1 1 87 87 ALA HB1 H 1 1.26 0.01 . 1 . . . . . . . . 6484 1 1021 . 1 1 87 87 ALA HB2 H 1 1.26 0.01 . 1 . . . . . . . . 6484 1 1022 . 1 1 87 87 ALA HB3 H 1 1.26 0.01 . 1 . . . . . . . . 6484 1 1023 . 1 1 87 87 ALA C C 13 175.90 0.2 . 1 . . . . . . . . 6484 1 1024 . 1 1 87 87 ALA CA C 13 51.57 0.2 . 1 . . . . . . . . 6484 1 1025 . 1 1 87 87 ALA CB C 13 15.07 0.2 . 1 . . . . . . . . 6484 1 1026 . 1 1 87 87 ALA N N 15 121.50 0.2 . 1 . . . . . . . . 6484 1 1027 . 1 1 88 88 LYS H H 1 7.34 0.01 . 1 . . . . . . . . 6484 1 1028 . 1 1 88 88 LYS HA H 1 3.63 0.01 . 1 . . . . . . . . 6484 1 1029 . 1 1 88 88 LYS HB2 H 1 1.71 0.01 . 2 . . . . . . . . 6484 1 1030 . 1 1 88 88 LYS HB3 H 1 1.7 0.01 . 2 . . . . . . . . 6484 1 1031 . 1 1 88 88 LYS HG2 H 1 1.52 0.01 . 1 . . . . . . . . 6484 1 1032 . 1 1 88 88 LYS HG3 H 1 1.52 0.01 . 1 . . . . . . . . 6484 1 1033 . 1 1 88 88 LYS HD2 H 1 1.65 0.01 . 1 . . . . . . . . 6484 1 1034 . 1 1 88 88 LYS HD3 H 1 1.65 0.01 . 1 . . . . . . . . 6484 1 1035 . 1 1 88 88 LYS HE2 H 1 3.05 0.01 . 1 . . . . . . . . 6484 1 1036 . 1 1 88 88 LYS HE3 H 1 3.05 0.01 . 1 . . . . . . . . 6484 1 1037 . 1 1 88 88 LYS C C 13 175.00 0.2 . 1 . . . . . . . . 6484 1 1038 . 1 1 88 88 LYS CA C 13 55.98 0.2 . 1 . . . . . . . . 6484 1 1039 . 1 1 88 88 LYS CB C 13 29.50 0.2 . 1 . . . . . . . . 6484 1 1040 . 1 1 88 88 LYS CG C 13 22.46 0.2 . 1 . . . . . . . . 6484 1 1041 . 1 1 88 88 LYS CD C 13 26.80 0.2 . 1 . . . . . . . . 6484 1 1042 . 1 1 88 88 LYS CE C 13 39.28 0.2 . 1 . . . . . . . . 6484 1 1043 . 1 1 88 88 LYS N N 15 116.10 0.2 . 1 . . . . . . . . 6484 1 1044 . 1 1 89 89 GLU H H 1 7.31 0.01 . 1 . . . . . . . . 6484 1 1045 . 1 1 89 89 GLU HA H 1 4.1 0.01 . 1 . . . . . . . . 6484 1 1046 . 1 1 89 89 GLU HB2 H 1 2.04 0.01 . 2 . . . . . . . . 6484 1 1047 . 1 1 89 89 GLU HB3 H 1 1.95 0.01 . 2 . . . . . . . . 6484 1 1048 . 1 1 89 89 GLU HG2 H 1 2.25 0.01 . 2 . . . . . . . . 6484 1 1049 . 1 1 89 89 GLU HG3 H 1 2.2 0.01 . 2 . . . . . . . . 6484 1 1050 . 1 1 89 89 GLU C C 13 175.20 0.2 . 1 . . . . . . . . 6484 1 1051 . 1 1 89 89 GLU CA C 13 54.27 0.2 . 1 . . . . . . . . 6484 1 1052 . 1 1 89 89 GLU CB C 13 27.22 0.2 . 1 . . . . . . . . 6484 1 1053 . 1 1 89 89 GLU CG C 13 32.93 0.2 . 1 . . . . . . . . 6484 1 1054 . 1 1 89 89 GLU N N 15 119.90 0.2 . 1 . . . . . . . . 6484 1 1055 . 1 1 90 90 VAL H H 1 7.94 0.01 . 1 . . . . . . . . 6484 1 1056 . 1 1 90 90 VAL HA H 1 4.29 0.01 . 1 . . . . . . . . 6484 1 1057 . 1 1 90 90 VAL HB H 1 2.09 0.01 . 1 . . . . . . . . 6484 1 1058 . 1 1 90 90 VAL HG11 H 1 0.76 0.01 . 1 . . . . . . . . 6484 1 1059 . 1 1 90 90 VAL HG12 H 1 0.76 0.01 . 1 . . . . . . . . 6484 1 1060 . 1 1 90 90 VAL HG13 H 1 0.76 0.01 . 1 . . . . . . . . 6484 1 1061 . 1 1 90 90 VAL HG21 H 1 0.76 0.01 . 1 . . . . . . . . 6484 1 1062 . 1 1 90 90 VAL HG22 H 1 0.76 0.01 . 1 . . . . . . . . 6484 1 1063 . 1 1 90 90 VAL HG23 H 1 0.76 0.01 . 1 . . . . . . . . 6484 1 1064 . 1 1 90 90 VAL C C 13 174.60 0.2 . 1 . . . . . . . . 6484 1 1065 . 1 1 90 90 VAL CA C 13 61.68 0.2 . 1 . . . . . . . . 6484 1 1066 . 1 1 90 90 VAL CB C 13 29.32 0.2 . 1 . . . . . . . . 6484 1 1067 . 1 1 90 90 VAL CG1 C 13 19.09 0.2 . 1 . . . . . . . . 6484 1 1068 . 1 1 90 90 VAL CG2 C 13 19.09 0.2 . 1 . . . . . . . . 6484 1 1069 . 1 1 90 90 VAL N N 15 122.80 0.2 . 1 . . . . . . . . 6484 1 1070 . 1 1 91 91 ARG H H 1 7.57 0.01 . 1 . . . . . . . . 6484 1 1071 . 1 1 91 91 ARG HA H 1 4.02 0.01 . 1 . . . . . . . . 6484 1 1072 . 1 1 91 91 ARG HB2 H 1 1.47 0.01 . 2 . . . . . . . . 6484 1 1073 . 1 1 91 91 ARG HB3 H 1 1.4 0.01 . 2 . . . . . . . . 6484 1 1074 . 1 1 91 91 ARG HG2 H 1 1.56 0.01 . 1 . . . . . . . . 6484 1 1075 . 1 1 91 91 ARG HG3 H 1 1.56 0.01 . 1 . . . . . . . . 6484 1 1076 . 1 1 91 91 ARG HD2 H 1 3.12 0.01 . 1 . . . . . . . . 6484 1 1077 . 1 1 91 91 ARG HD3 H 1 3.12 0.01 . 1 . . . . . . . . 6484 1 1078 . 1 1 91 91 ARG C C 13 172.80 0.2 . 1 . . . . . . . . 6484 1 1079 . 1 1 91 91 ARG CA C 13 53.12 0.2 . 1 . . . . . . . . 6484 1 1080 . 1 1 91 91 ARG CB C 13 27.53 0.2 . 1 . . . . . . . . 6484 1 1081 . 1 1 91 91 ARG CG C 13 28.00 0.2 . 1 . . . . . . . . 6484 1 1082 . 1 1 91 91 ARG CD C 13 40.52 0.2 . 1 . . . . . . . . 6484 1 1083 . 1 1 91 91 ARG N N 15 118.00 0.2 . 1 . . . . . . . . 6484 1 1084 . 1 1 92 92 LYS H H 1 7.85 0.01 . 1 . . . . . . . . 6484 1 1085 . 1 1 92 92 LYS HA H 1 4.05 0.01 . 1 . . . . . . . . 6484 1 1086 . 1 1 92 92 LYS HB2 H 1 1.66 0.01 . 2 . . . . . . . . 6484 1 1087 . 1 1 92 92 LYS HB3 H 1 1.6 0.01 . 2 . . . . . . . . 6484 1 1088 . 1 1 92 92 LYS HG2 H 1 1.02 0.01 . 2 . . . . . . . . 6484 1 1089 . 1 1 92 92 LYS HG3 H 1 1.2 0.01 . 2 . . . . . . . . 6484 1 1090 . 1 1 92 92 LYS HD2 H 1 1.55 0.01 . 1 . . . . . . . . 6484 1 1091 . 1 1 92 92 LYS HD3 H 1 1.55 0.01 . 1 . . . . . . . . 6484 1 1092 . 1 1 92 92 LYS HE2 H 1 3.18 0.01 . 1 . . . . . . . . 6484 1 1093 . 1 1 92 92 LYS HE3 H 1 3.18 0.01 . 1 . . . . . . . . 6484 1 1094 . 1 1 92 92 LYS C C 13 173.70 0.2 . 1 . . . . . . . . 6484 1 1095 . 1 1 92 92 LYS CA C 13 54.05 0.2 . 1 . . . . . . . . 6484 1 1096 . 1 1 92 92 LYS CB C 13 29.90 0.2 . 1 . . . . . . . . 6484 1 1097 . 1 1 92 92 LYS CG C 13 22.02 0.2 . 1 . . . . . . . . 6484 1 1098 . 1 1 92 92 LYS CD C 13 26.40 0.2 . 1 . . . . . . . . 6484 1 1099 . 1 1 92 92 LYS CE C 13 39.45 0.2 . 1 . . . . . . . . 6484 1 1100 . 1 1 92 92 LYS N N 15 121.10 0.2 . 1 . . . . . . . . 6484 1 1101 . 1 1 93 93 GLU H H 1 7.2 0.01 . 1 . . . . . . . . 6484 1 1102 . 1 1 93 93 GLU HA H 1 4 0.01 . 1 . . . . . . . . 6484 1 1103 . 1 1 93 93 GLU HB2 H 1 2.07 0.01 . 2 . . . . . . . . 6484 1 1104 . 1 1 93 93 GLU HB3 H 1 2 0.01 . 2 . . . . . . . . 6484 1 1105 . 1 1 93 93 GLU HG2 H 1 2.28 0.01 . 2 . . . . . . . . 6484 1 1106 . 1 1 93 93 GLU HG3 H 1 2.2 0.01 . 2 . . . . . . . . 6484 1 1107 . 1 1 93 93 GLU CA C 13 56.12 0.2 . 1 . . . . . . . . 6484 1 1108 . 1 1 93 93 GLU CB C 13 25.46 0.2 . 1 . . . . . . . . 6484 1 1109 . 1 1 93 93 GLU CG C 13 32.39 0.2 . 1 . . . . . . . . 6484 1 1110 . 1 1 93 93 GLU N N 15 119.90 0.2 . 1 . . . . . . . . 6484 1 1111 . 1 1 94 94 LYS C C 13 175.50 0.2 . 1 . . . . . . . . 6484 1 1112 . 1 1 94 94 LYS CA C 13 54.38 0.2 . 1 . . . . . . . . 6484 1 1113 . 1 1 94 94 LYS CB C 13 28.50 0.2 . 1 . . . . . . . . 6484 1 1114 . 1 1 94 94 LYS CG C 13 21.55 0.2 . 1 . . . . . . . . 6484 1 1115 . 1 1 94 94 LYS CD C 13 25.20 0.2 . 1 . . . . . . . . 6484 1 1116 . 1 1 94 94 LYS CE C 13 38.35 0.2 . 1 . . . . . . . . 6484 1 1117 . 1 1 95 95 ALA H H 1 8.06 0.01 . 1 . . . . . . . . 6484 1 1118 . 1 1 95 95 ALA HA H 1 3.89 0.01 . 1 . . . . . . . . 6484 1 1119 . 1 1 95 95 ALA HB1 H 1 1.37 0.01 . 1 . . . . . . . . 6484 1 1120 . 1 1 95 95 ALA HB2 H 1 1.37 0.01 . 1 . . . . . . . . 6484 1 1121 . 1 1 95 95 ALA HB3 H 1 1.37 0.01 . 1 . . . . . . . . 6484 1 1122 . 1 1 95 95 ALA C C 13 176.00 0.2 . 1 . . . . . . . . 6484 1 1123 . 1 1 95 95 ALA CA C 13 50.84 0.2 . 1 . . . . . . . . 6484 1 1124 . 1 1 95 95 ALA CB C 13 15.91 0.2 . 1 . . . . . . . . 6484 1 1125 . 1 1 95 95 ALA N N 15 121.50 0.2 . 1 . . . . . . . . 6484 1 1126 . 1 1 96 96 LEU H H 1 7.51 0.01 . 1 . . . . . . . . 6484 1 1127 . 1 1 96 96 LEU HA H 1 4.08 0.01 . 1 . . . . . . . . 6484 1 1128 . 1 1 96 96 LEU HB2 H 1 1.65 0.01 . 2 . . . . . . . . 6484 1 1129 . 1 1 96 96 LEU HB3 H 1 1.6 0.01 . 2 . . . . . . . . 6484 1 1130 . 1 1 96 96 LEU HG H 1 1.35 0.01 . 1 . . . . . . . . 6484 1 1131 . 1 1 96 96 LEU HD11 H 1 0.79 0.01 . 2 . . . . . . . . 6484 1 1132 . 1 1 96 96 LEU HD12 H 1 0.79 0.01 . 2 . . . . . . . . 6484 1 1133 . 1 1 96 96 LEU HD13 H 1 0.79 0.01 . 2 . . . . . . . . 6484 1 1134 . 1 1 96 96 LEU HD21 H 1 0.76 0.01 . 2 . . . . . . . . 6484 1 1135 . 1 1 96 96 LEU HD22 H 1 0.76 0.01 . 2 . . . . . . . . 6484 1 1136 . 1 1 96 96 LEU HD23 H 1 0.76 0.01 . 2 . . . . . . . . 6484 1 1137 . 1 1 96 96 LEU C C 13 175.70 0.2 . 1 . . . . . . . . 6484 1 1138 . 1 1 96 96 LEU CA C 13 53.42 0.2 . 1 . . . . . . . . 6484 1 1139 . 1 1 96 96 LEU CB C 13 39.16 0.2 . 1 . . . . . . . . 6484 1 1140 . 1 1 96 96 LEU CG C 13 24.30 0.2 . 1 . . . . . . . . 6484 1 1141 . 1 1 96 96 LEU CD1 C 13 20.15 0.2 . 1 . . . . . . . . 6484 1 1142 . 1 1 96 96 LEU CD2 C 13 22.10 0.2 . 1 . . . . . . . . 6484 1 1143 . 1 1 96 96 LEU N N 15 118.20 0.2 . 1 . . . . . . . . 6484 1 1144 . 1 1 97 97 GLY H H 1 7.81 0.01 . 1 . . . . . . . . 6484 1 1145 . 1 1 97 97 GLY HA2 H 1 3.81 0.01 . 1 . . . . . . . . 6484 1 1146 . 1 1 97 97 GLY HA3 H 1 3.81 0.01 . 1 . . . . . . . . 6484 1 1147 . 1 1 97 97 GLY C C 13 171.60 0.2 . 1 . . . . . . . . 6484 1 1148 . 1 1 97 97 GLY CA C 13 42.91 0.2 . 1 . . . . . . . . 6484 1 1149 . 1 1 97 97 GLY N N 15 106.90 0.2 . 1 . . . . . . . . 6484 1 1150 . 1 1 98 98 ILE H H 1 7.57 0.01 . 1 . . . . . . . . 6484 1 1151 . 1 1 98 98 ILE HA H 1 4.02 0.01 . 1 . . . . . . . . 6484 1 1152 . 1 1 98 98 ILE HB H 1 1.76 0.01 . 1 . . . . . . . . 6484 1 1153 . 1 1 98 98 ILE HG12 H 1 0.75 0.01 . 2 . . . . . . . . 6484 1 1154 . 1 1 98 98 ILE HG13 H 1 1.45 0.01 . 2 . . . . . . . . 6484 1 1155 . 1 1 98 98 ILE HG21 H 1 0.7 0.01 . 1 . . . . . . . . 6484 1 1156 . 1 1 98 98 ILE HG22 H 1 0.7 0.01 . 1 . . . . . . . . 6484 1 1157 . 1 1 98 98 ILE HG23 H 1 0.7 0.01 . 1 . . . . . . . . 6484 1 1158 . 1 1 98 98 ILE HD11 H 1 0.3 0.01 . 1 . . . . . . . . 6484 1 1159 . 1 1 98 98 ILE HD12 H 1 0.3 0.01 . 1 . . . . . . . . 6484 1 1160 . 1 1 98 98 ILE HD13 H 1 0.3 0.01 . 1 . . . . . . . . 6484 1 1161 . 1 1 98 98 ILE C C 13 173.4 0.2 . 1 . . . . . . . . 6484 1 1162 . 1 1 98 98 ILE CA C 13 58.66 0.2 . 1 . . . . . . . . 6484 1 1163 . 1 1 98 98 ILE CB C 13 35.67 0.2 . 1 . . . . . . . . 6484 1 1164 . 1 1 98 98 ILE CG1 C 13 28.5 0.2 . 1 . . . . . . . . 6484 1 1165 . 1 1 98 98 ILE CG2 C 13 15.35 0.2 . 1 . . . . . . . . 6484 1 1166 . 1 1 98 98 ILE CD1 C 13 10.2 0.2 . 1 . . . . . . . . 6484 1 1167 . 1 1 98 98 ILE N N 15 119.2 0.2 . 1 . . . . . . . . 6484 1 1168 . 1 1 99 99 ARG H H 1 8.13 0.01 . 1 . . . . . . . . 6484 1 1169 . 1 1 99 99 ARG HA H 1 4.24 0.01 . 1 . . . . . . . . 6484 1 1170 . 1 1 99 99 ARG HB2 H 1 1.73 0.01 . 2 . . . . . . . . 6484 1 1171 . 1 1 99 99 ARG HB3 H 1 1.7 0.01 . 2 . . . . . . . . 6484 1 1172 . 1 1 99 99 ARG HG2 H 1 1.55 0.01 . 2 . . . . . . . . 6484 1 1173 . 1 1 99 99 ARG HG3 H 1 1.5 0.01 . 2 . . . . . . . . 6484 1 1174 . 1 1 99 99 ARG HD2 H 1 3.1 0.01 . 2 . . . . . . . . 6484 1 1175 . 1 1 99 99 ARG HD3 H 1 3 0.01 . 2 . . . . . . . . 6484 1 1176 . 1 1 99 99 ARG C C 13 173.3 0.2 . 1 . . . . . . . . 6484 1 1177 . 1 1 99 99 ARG CA C 13 52.94 0.2 . 1 . . . . . . . . 6484 1 1178 . 1 1 99 99 ARG CB C 13 27.99 0.2 . 1 . . . . . . . . 6484 1 1179 . 1 1 99 99 ARG CG C 13 26.54 0.2 . 1 . . . . . . . . 6484 1 1180 . 1 1 99 99 ARG CD C 13 40.14 0.2 . 1 . . . . . . . . 6484 1 1181 . 1 1 99 99 ARG N N 15 124.6 0.2 . 1 . . . . . . . . 6484 1 1182 . 1 1 100 100 LYS H H 1 8.27 0.01 . 1 . . . . . . . . 6484 1 1183 . 1 1 100 100 LYS HA H 1 4.2 0.01 . 1 . . . . . . . . 6484 1 1184 . 1 1 100 100 LYS HB2 H 1 1.71 0.01 . 2 . . . . . . . . 6484 1 1185 . 1 1 100 100 LYS HB3 H 1 1.7 0.01 . 2 . . . . . . . . 6484 1 1186 . 1 1 100 100 LYS HG2 H 1 1.32 0.01 . 2 . . . . . . . . 6484 1 1187 . 1 1 100 100 LYS HG3 H 1 1.3 0.01 . 2 . . . . . . . . 6484 1 1188 . 1 1 100 100 LYS HD2 H 1 1.58 0.01 . 2 . . . . . . . . 6484 1 1189 . 1 1 100 100 LYS HD3 H 1 1.55 0.01 . 2 . . . . . . . . 6484 1 1190 . 1 1 100 100 LYS HE2 H 1 3.13 0.01 . 1 . . . . . . . . 6484 1 1191 . 1 1 100 100 LYS HE3 H 1 3.05 0.01 . 1 . . . . . . . . 6484 1 1192 . 1 1 100 100 LYS C C 13 172.8 0.2 . 1 . . . . . . . . 6484 1 1193 . 1 1 100 100 LYS CA C 13 53.34 0.2 . 1 . . . . . . . . 6484 1 1194 . 1 1 100 100 LYS CB C 13 30.17 0.2 . 1 . . . . . . . . 6484 1 1195 . 1 1 100 100 LYS CG C 13 27.22 0.2 . 1 . . . . . . . . 6484 1 1196 . 1 1 100 100 LYS CD C 13 39.2 0.2 . 1 . . . . . . . . 6484 1 1197 . 1 1 100 100 LYS N N 15 123.5 0.2 . 1 . . . . . . . . 6484 1 1198 . 1 1 101 101 LYS H H 1 7.91 0.2 . 1 . . . . . . . . 6484 1 1199 . 1 1 101 101 LYS HA H 1 4.04 0.01 . 1 . . . . . . . . 6484 1 1200 . 1 1 101 101 LYS HB2 H 1 1.69 0.01 . 2 . . . . . . . . 6484 1 1201 . 1 1 101 101 LYS HB3 H 1 1.65 0.01 . 2 . . . . . . . . 6484 1 1202 . 1 1 101 101 LYS HG2 H 1 1.3 0.01 . 2 . . . . . . . . 6484 1 1203 . 1 1 101 101 LYS HG3 H 1 1.25 0.01 . 2 . . . . . . . . 6484 1 1204 . 1 1 101 101 LYS HD2 H 1 1.69 0.01 . 2 . . . . . . . . 6484 1 1205 . 1 1 101 101 LYS HD3 H 1 1.65 0.01 . 2 . . . . . . . . 6484 1 1206 . 1 1 101 101 LYS HE2 H 1 3.2 0.01 . 1 . . . . . . . . 6484 1 1207 . 1 1 101 101 LYS HE3 H 1 3.2 0.01 . 1 . . . . . . . . 6484 1 1208 . 1 1 101 101 LYS C C 13 173.50 0.2 . 1 . . . . . . . . 6484 1 1209 . 1 1 101 101 LYS CA C 13 55.01 0.2 . 1 . . . . . . . . 6484 1 1210 . 1 1 101 101 LYS CB C 13 30.60 0.2 . 1 . . . . . . . . 6484 1 1211 . 1 1 101 101 LYS CG C 13 27.30 0.2 . 1 . . . . . . . . 6484 1 1212 . 1 1 101 101 LYS CD C 13 40.10 0.2 . 1 . . . . . . . . 6484 1 1213 . 1 1 101 101 LYS N N 15 127.90 0.2 . 1 . . . . . . . . 6484 1 stop_ save_