data_5175 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5175 _Entry.Title ; Backbone 1H, 13C, 15N and sidechain 1H Chemical shift of CPI-17 ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2001-10-11 _Entry.Accession_date 2001-10-16 _Entry.Last_release_date 2002-05-06 _Entry.Original_release_date 2002-05-06 _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 Shin-ya Ohki . . . 5175 2 Masumi Eto . . . 5175 3 Eri Kariya . . . 5175 4 Toshiya Hayano . . . 5175 5 Yuichiro Hayashi . . . 5175 6 Michio Yazawa . . . 5175 7 David Brautigan . . . 5175 8 Masatsune Kainosho . . . 5175 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5175 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 603 5175 '13C chemical shifts' 168 5175 '15N chemical shifts' 84 5175 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 . . 2002-05-06 2001-10-11 original author . 5175 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5175 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 21592567 _Citation.DOI . _Citation.PubMed_ID 11734001 _Citation.Full_citation . _Citation.Title ; Solution NMR Structure of the Myosin Phosphatase Inhibitor Protein CPI-17 Shows Phosphorylation-induced Conformational Changes Responsible for Activation ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 314 _Citation.Journal_issue 4 _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 839 _Citation.Page_last 849 _Citation.Year 2001 _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 Shin-ya Ohki . . . 5175 1 2 Masumi Eto . . . 5175 1 3 Eri Kariya . . . 5175 1 4 Toshiya Hayano . . . 5175 1 5 Yuichiro Hayashi . . . 5175 1 6 Michio Yazawa . . . 5175 1 7 David Brautigan . . . 5175 1 8 Masatsune Kainosho . . . 5175 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID CPI-17 5175 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_CPI-17 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_CPI-17 _Assembly.Entry_ID 5175 _Assembly.ID 1 _Assembly.Name 'CPI-17 (35-120) deletion mutant' _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 'all free' _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 5175 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 CPI-17 1 $CPI-17 . . . native . . . . . 5175 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1K50 . . . . . . 5175 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'CPI-17 (35-120) deletion mutant' system 5175 1 CPI-17 abbreviation 5175 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CPI-17 _Entity.Sf_category entity _Entity.Sf_framecode CPI-17 _Entity.Entry_ID 5175 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CPI-17 _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 ; ARVTVKYDRRELQRRLDVEK WIDGRLEELYRGREADMPDE VNIDELLELESEEERSRKIQ GLLKSCTNPTENFVQELLVK LRGLHK ; _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 86 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 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 BMRB 5662 . CPI-17_(22-120) . . . . . 100.00 99 100.00 100.00 3.35e-52 . . . . 5175 1 2 no BMRB 5663 . CPI-17_(22-120)_T38D . . . . . 100.00 99 98.84 98.84 4.28e-51 . . . . 5175 1 3 no PDB 1J2M . "Solution Structure Of Cpi-17(22-120)" . . . . . 100.00 99 100.00 100.00 3.35e-52 . . . . 5175 1 4 no PDB 1J2N . "Solution Structure Of Cpi-17(22-120) T38d" . . . . . 100.00 99 98.84 98.84 4.28e-51 . . . . 5175 1 5 no PDB 1K5O . "Cpi-17(35-120) Deletion Mutant" . . . . . 100.00 86 100.00 100.00 2.10e-52 . . . . 5175 1 6 no PDB 2RLT . "Phosphorylated Cpi-17 (22-120)" . . . . . 100.00 99 98.84 98.84 3.09e-51 . . . . 5175 1 7 no DBJ BAA22995 . "17-kDa PKC-potentiated inhibitory protein of PP1 [Sus scrofa]" . . . . . 100.00 147 100.00 100.00 7.63e-53 . . . . 5175 1 8 no REF NP_001179999 . "protein phosphatase 1 regulatory subunit 14A [Bos taurus]" . . . . . 100.00 147 97.67 98.84 1.64e-51 . . . . 5175 1 9 no REF NP_999502 . "protein phosphatase 1 regulatory subunit 14A [Sus scrofa]" . . . . . 100.00 147 100.00 100.00 7.63e-53 . . . . 5175 1 10 no REF XP_004015712 . "PREDICTED: protein phosphatase 1 regulatory subunit 14A [Ovis aries]" . . . . . 100.00 153 97.67 98.84 1.31e-51 . . . . 5175 1 11 no REF XP_004284289 . "PREDICTED: protein phosphatase 1 regulatory subunit 14A [Orcinus orca]" . . . . . 100.00 147 97.67 98.84 1.25e-50 . . . . 5175 1 12 no REF XP_004330765 . "PREDICTED: protein phosphatase 1 regulatory subunit 14A-like, partial [Tursiops truncatus]" . . . . . 69.77 99 98.33 98.33 2.09e-30 . . . . 5175 1 13 no SP O18734 . "RecName: Full=Protein phosphatase 1 regulatory subunit 14A; AltName: Full=17 kDa PKC-potentiated inhibitory protein of PP1; Alt" . . . . . 100.00 147 100.00 100.00 7.63e-53 . . . . 5175 1 14 no TPG DAA19818 . "TPA: protein phosphatase 1, regulatory (inhibitor) subunit 14A-like [Bos taurus]" . . . . . 100.00 147 97.67 98.84 1.64e-51 . . . . 5175 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID CPI-17 common 5175 1 CPI-17 abbreviation 5175 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 35 ALA . 5175 1 2 36 ARG . 5175 1 3 37 VAL . 5175 1 4 38 THR . 5175 1 5 39 VAL . 5175 1 6 40 LYS . 5175 1 7 41 TYR . 5175 1 8 42 ASP . 5175 1 9 43 ARG . 5175 1 10 44 ARG . 5175 1 11 45 GLU . 5175 1 12 46 LEU . 5175 1 13 47 GLN . 5175 1 14 48 ARG . 5175 1 15 49 ARG . 5175 1 16 50 LEU . 5175 1 17 51 ASP . 5175 1 18 52 VAL . 5175 1 19 53 GLU . 5175 1 20 54 LYS . 5175 1 21 55 TRP . 5175 1 22 56 ILE . 5175 1 23 57 ASP . 5175 1 24 58 GLY . 5175 1 25 59 ARG . 5175 1 26 60 LEU . 5175 1 27 61 GLU . 5175 1 28 62 GLU . 5175 1 29 63 LEU . 5175 1 30 64 TYR . 5175 1 31 65 ARG . 5175 1 32 66 GLY . 5175 1 33 67 ARG . 5175 1 34 68 GLU . 5175 1 35 69 ALA . 5175 1 36 70 ASP . 5175 1 37 71 MET . 5175 1 38 72 PRO . 5175 1 39 73 ASP . 5175 1 40 74 GLU . 5175 1 41 75 VAL . 5175 1 42 76 ASN . 5175 1 43 77 ILE . 5175 1 44 78 ASP . 5175 1 45 79 GLU . 5175 1 46 80 LEU . 5175 1 47 81 LEU . 5175 1 48 82 GLU . 5175 1 49 83 LEU . 5175 1 50 84 GLU . 5175 1 51 85 SER . 5175 1 52 86 GLU . 5175 1 53 87 GLU . 5175 1 54 88 GLU . 5175 1 55 89 ARG . 5175 1 56 90 SER . 5175 1 57 91 ARG . 5175 1 58 92 LYS . 5175 1 59 93 ILE . 5175 1 60 94 GLN . 5175 1 61 95 GLY . 5175 1 62 96 LEU . 5175 1 63 97 LEU . 5175 1 64 98 LYS . 5175 1 65 99 SER . 5175 1 66 100 CYS . 5175 1 67 101 THR . 5175 1 68 102 ASN . 5175 1 69 103 PRO . 5175 1 70 104 THR . 5175 1 71 105 GLU . 5175 1 72 106 ASN . 5175 1 73 107 PHE . 5175 1 74 108 VAL . 5175 1 75 109 GLN . 5175 1 76 110 GLU . 5175 1 77 111 LEU . 5175 1 78 112 LEU . 5175 1 79 113 VAL . 5175 1 80 114 LYS . 5175 1 81 115 LEU . 5175 1 82 116 ARG . 5175 1 83 117 GLY . 5175 1 84 118 LEU . 5175 1 85 119 HIS . 5175 1 86 120 LYS . 5175 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 . ALA 1 1 5175 1 . ARG 2 2 5175 1 . VAL 3 3 5175 1 . THR 4 4 5175 1 . VAL 5 5 5175 1 . LYS 6 6 5175 1 . TYR 7 7 5175 1 . ASP 8 8 5175 1 . ARG 9 9 5175 1 . ARG 10 10 5175 1 . GLU 11 11 5175 1 . LEU 12 12 5175 1 . GLN 13 13 5175 1 . ARG 14 14 5175 1 . ARG 15 15 5175 1 . LEU 16 16 5175 1 . ASP 17 17 5175 1 . VAL 18 18 5175 1 . GLU 19 19 5175 1 . LYS 20 20 5175 1 . TRP 21 21 5175 1 . ILE 22 22 5175 1 . ASP 23 23 5175 1 . GLY 24 24 5175 1 . ARG 25 25 5175 1 . LEU 26 26 5175 1 . GLU 27 27 5175 1 . GLU 28 28 5175 1 . LEU 29 29 5175 1 . TYR 30 30 5175 1 . ARG 31 31 5175 1 . GLY 32 32 5175 1 . ARG 33 33 5175 1 . GLU 34 34 5175 1 . ALA 35 35 5175 1 . ASP 36 36 5175 1 . MET 37 37 5175 1 . PRO 38 38 5175 1 . ASP 39 39 5175 1 . GLU 40 40 5175 1 . VAL 41 41 5175 1 . ASN 42 42 5175 1 . ILE 43 43 5175 1 . ASP 44 44 5175 1 . GLU 45 45 5175 1 . LEU 46 46 5175 1 . LEU 47 47 5175 1 . GLU 48 48 5175 1 . LEU 49 49 5175 1 . GLU 50 50 5175 1 . SER 51 51 5175 1 . GLU 52 52 5175 1 . GLU 53 53 5175 1 . GLU 54 54 5175 1 . ARG 55 55 5175 1 . SER 56 56 5175 1 . ARG 57 57 5175 1 . LYS 58 58 5175 1 . ILE 59 59 5175 1 . GLN 60 60 5175 1 . GLY 61 61 5175 1 . LEU 62 62 5175 1 . LEU 63 63 5175 1 . LYS 64 64 5175 1 . SER 65 65 5175 1 . CYS 66 66 5175 1 . THR 67 67 5175 1 . ASN 68 68 5175 1 . PRO 69 69 5175 1 . THR 70 70 5175 1 . GLU 71 71 5175 1 . ASN 72 72 5175 1 . PHE 73 73 5175 1 . VAL 74 74 5175 1 . GLN 75 75 5175 1 . GLU 76 76 5175 1 . LEU 77 77 5175 1 . LEU 78 78 5175 1 . VAL 79 79 5175 1 . LYS 80 80 5175 1 . LEU 81 81 5175 1 . ARG 82 82 5175 1 . GLY 83 83 5175 1 . LEU 84 84 5175 1 . HIS 85 85 5175 1 . LYS 86 86 5175 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 5175 _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 $CPI-17 . Pig . . 'Sus scrofa' 9823 . . Eukaryota Metazoa Sus scrofa . . . aorta . . . . . . . . . . . . . . . . . 5175 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 5175 _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 $CPI-17 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5175 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5175 _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 CPI-17 . . . 1 $CPI-17 . . . 0.8 1.3 mM . . . . 5175 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 5175 _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 6.8 0.05 n/a 5175 1 temperature 298 0.1 K 5175 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5175 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5175 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5175 _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 NMR_spectrometer_1 Bruker DRX . 600 . . . 5175 1 2 NMR_spectrometer_2 Bruker AVANCE . 800 . . . 5175 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 5175 _Experiment_list.ID 1 _Experiment_list.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5175 _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 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5175 1 N 15 DSS . . . . . ppm 0.0 . indirect 0.101329112 . . . . . . . . . 5175 1 C 13 DSS . . . . . ppm 0.0 . indirect 0.251449519 . . . . . . . . . 5175 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5175 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 . 5175 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 ALA H H 1 8.50 . . 1 . . . . . . . . 5175 1 2 . 1 1 1 1 ALA HA H 1 4.31 . . 1 . . . . . . . . 5175 1 3 . 1 1 1 1 ALA HB1 H 1 1.38 . . 1 . . . . . . . . 5175 1 4 . 1 1 1 1 ALA HB2 H 1 1.38 . . 1 . . . . . . . . 5175 1 5 . 1 1 1 1 ALA HB3 H 1 1.38 . . 1 . . . . . . . . 5175 1 6 . 1 1 1 1 ALA N N 15 126.78 . . 1 . . . . . . . . 5175 1 7 . 1 1 1 1 ALA CA C 13 51.20 . . 1 . . . . . . . . 5175 1 8 . 1 1 1 1 ALA CB C 13 17.15 . . 1 . . . . . . . . 5175 1 9 . 1 1 2 2 ARG H H 1 8.39 . . 1 . . . . . . . . 5175 1 10 . 1 1 2 2 ARG HA H 1 4.35 . . 1 . . . . . . . . 5175 1 11 . 1 1 2 2 ARG HB2 H 1 1.82 . . 2 . . . . . . . . 5175 1 12 . 1 1 2 2 ARG HB3 H 1 1.77 . . 2 . . . . . . . . 5175 1 13 . 1 1 2 2 ARG HG2 H 1 1.65 . . 2 . . . . . . . . 5175 1 14 . 1 1 2 2 ARG HG3 H 1 1.59 . . 2 . . . . . . . . 5175 1 15 . 1 1 2 2 ARG HD2 H 1 3.18 . . 1 . . . . . . . . 5175 1 16 . 1 1 2 2 ARG HD3 H 1 3.18 . . 1 . . . . . . . . 5175 1 17 . 1 1 2 2 ARG N N 15 121.41 . . 1 . . . . . . . . 5175 1 18 . 1 1 2 2 ARG CA C 13 55.02 . . 1 . . . . . . . . 5175 1 19 . 1 1 2 2 ARG CB C 13 29.19 . . 1 . . . . . . . . 5175 1 20 . 1 1 3 3 VAL H H 1 8.26 . . 1 . . . . . . . . 5175 1 21 . 1 1 3 3 VAL HA H 1 4.19 . . 1 . . . . . . . . 5175 1 22 . 1 1 3 3 VAL HB H 1 2.07 . . 1 . . . . . . . . 5175 1 23 . 1 1 3 3 VAL HG11 H 1 0.93 . . 1 . . . . . . . . 5175 1 24 . 1 1 3 3 VAL HG12 H 1 0.93 . . 1 . . . . . . . . 5175 1 25 . 1 1 3 3 VAL HG13 H 1 0.93 . . 1 . . . . . . . . 5175 1 26 . 1 1 3 3 VAL HG21 H 1 0.93 . . 1 . . . . . . . . 5175 1 27 . 1 1 3 3 VAL HG22 H 1 0.93 . . 1 . . . . . . . . 5175 1 28 . 1 1 3 3 VAL HG23 H 1 0.93 . . 1 . . . . . . . . 5175 1 29 . 1 1 3 3 VAL N N 15 122.21 . . 1 . . . . . . . . 5175 1 30 . 1 1 3 3 VAL CA C 13 61.45 . . 1 . . . . . . . . 5175 1 31 . 1 1 3 3 VAL CB C 13 31.08 . . 1 . . . . . . . . 5175 1 32 . 1 1 4 4 THR H H 1 8.31 . . 1 . . . . . . . . 5175 1 33 . 1 1 4 4 THR HA H 1 4.35 . . 1 . . . . . . . . 5175 1 34 . 1 1 4 4 THR HB H 1 4.15 . . 1 . . . . . . . . 5175 1 35 . 1 1 4 4 THR HG21 H 1 1.16 . . 1 . . . . . . . . 5175 1 36 . 1 1 4 4 THR HG22 H 1 1.16 . . 1 . . . . . . . . 5175 1 37 . 1 1 4 4 THR HG23 H 1 1.16 . . 1 . . . . . . . . 5175 1 38 . 1 1 4 4 THR N N 15 119.13 . . 1 . . . . . . . . 5175 1 39 . 1 1 4 4 THR CA C 13 61.18 . . 1 . . . . . . . . 5175 1 40 . 1 1 4 4 THR CB C 13 69.11 . . 1 . . . . . . . . 5175 1 41 . 1 1 5 5 VAL H H 1 8.11 . . 1 . . . . . . . . 5175 1 42 . 1 1 5 5 VAL HA H 1 4.05 . . 1 . . . . . . . . 5175 1 43 . 1 1 5 5 VAL HB H 1 1.95 . . 1 . . . . . . . . 5175 1 44 . 1 1 5 5 VAL HG11 H 1 0.85 . . 1 . . . . . . . . 5175 1 45 . 1 1 5 5 VAL HG12 H 1 0.85 . . 1 . . . . . . . . 5175 1 46 . 1 1 5 5 VAL HG13 H 1 0.85 . . 1 . . . . . . . . 5175 1 47 . 1 1 5 5 VAL HG21 H 1 0.77 . . 1 . . . . . . . . 5175 1 48 . 1 1 5 5 VAL HG22 H 1 0.77 . . 1 . . . . . . . . 5175 1 49 . 1 1 5 5 VAL HG23 H 1 0.77 . . 1 . . . . . . . . 5175 1 50 . 1 1 5 5 VAL N N 15 123.22 . . 1 . . . . . . . . 5175 1 51 . 1 1 5 5 VAL CA C 13 61.18 . . 1 . . . . . . . . 5175 1 52 . 1 1 5 5 VAL CB C 13 31.33 . . 1 . . . . . . . . 5175 1 53 . 1 1 6 6 LYS H H 1 8.23 . . 1 . . . . . . . . 5175 1 54 . 1 1 6 6 LYS HA H 1 4.25 . . 1 . . . . . . . . 5175 1 55 . 1 1 6 6 LYS HB2 H 1 1.61 . . 1 . . . . . . . . 5175 1 56 . 1 1 6 6 LYS HB3 H 1 1.61 . . 1 . . . . . . . . 5175 1 57 . 1 1 6 6 LYS HG2 H 1 1.29 . . 2 . . . . . . . . 5175 1 58 . 1 1 6 6 LYS HG3 H 1 1.20 . . 2 . . . . . . . . 5175 1 59 . 1 1 6 6 LYS HD2 H 1 0.93 . . 1 . . . . . . . . 5175 1 60 . 1 1 6 6 LYS HD3 H 1 0.93 . . 1 . . . . . . . . 5175 1 61 . 1 1 6 6 LYS HE2 H 1 2.93 . . 1 . . . . . . . . 5175 1 62 . 1 1 6 6 LYS HE3 H 1 2.93 . . 1 . . . . . . . . 5175 1 63 . 1 1 6 6 LYS N N 15 124.71 . . 1 . . . . . . . . 5175 1 64 . 1 1 6 6 LYS CA C 13 55.24 . . 1 . . . . . . . . 5175 1 65 . 1 1 6 6 LYS CB C 13 31.37 . . 1 . . . . . . . . 5175 1 66 . 1 1 7 7 TYR H H 1 7.91 . . 1 . . . . . . . . 5175 1 67 . 1 1 7 7 TYR HA H 1 4.66 . . 1 . . . . . . . . 5175 1 68 . 1 1 7 7 TYR HB2 H 1 3.07 . . 2 . . . . . . . . 5175 1 69 . 1 1 7 7 TYR HB3 H 1 2.82 . . 2 . . . . . . . . 5175 1 70 . 1 1 7 7 TYR HD1 H 1 7.23 . . 1 . . . . . . . . 5175 1 71 . 1 1 7 7 TYR HD2 H 1 7.23 . . 1 . . . . . . . . 5175 1 72 . 1 1 7 7 TYR HE1 H 1 6.69 . . 1 . . . . . . . . 5175 1 73 . 1 1 7 7 TYR HE2 H 1 6.69 . . 1 . . . . . . . . 5175 1 74 . 1 1 7 7 TYR N N 15 121.09 . . 1 . . . . . . . . 5175 1 75 . 1 1 7 7 TYR CA C 13 55.78 . . 1 . . . . . . . . 5175 1 76 . 1 1 7 7 TYR CB C 13 38.25 . . 1 . . . . . . . . 5175 1 77 . 1 1 8 8 ASP H H 1 8.47 . . 1 . . . . . . . . 5175 1 78 . 1 1 8 8 ASP HA H 1 4.62 . . 1 . . . . . . . . 5175 1 79 . 1 1 8 8 ASP HB2 H 1 2.83 . . 2 . . . . . . . . 5175 1 80 . 1 1 8 8 ASP HB3 H 1 2.77 . . 2 . . . . . . . . 5175 1 81 . 1 1 8 8 ASP N N 15 122.29 . . 1 . . . . . . . . 5175 1 82 . 1 1 8 8 ASP CA C 13 52.46 . . 1 . . . . . . . . 5175 1 83 . 1 1 8 8 ASP CB C 13 40.32 . . 1 . . . . . . . . 5175 1 84 . 1 1 9 9 ARG H H 1 8.54 . . 1 . . . . . . . . 5175 1 85 . 1 1 9 9 ARG HA H 1 4.10 . . 1 . . . . . . . . 5175 1 86 . 1 1 9 9 ARG HB2 H 1 1.92 . . 2 . . . . . . . . 5175 1 87 . 1 1 9 9 ARG HB3 H 1 1.39 . . 2 . . . . . . . . 5175 1 88 . 1 1 9 9 ARG HG2 H 1 1.71 . . 2 . . . . . . . . 5175 1 89 . 1 1 9 9 ARG HG3 H 1 1.67 . . 2 . . . . . . . . 5175 1 90 . 1 1 9 9 ARG HD2 H 1 3.31 . . 2 . . . . . . . . 5175 1 91 . 1 1 9 9 ARG HD3 H 1 3.23 . . 2 . . . . . . . . 5175 1 92 . 1 1 9 9 ARG N N 15 121.93 . . 1 . . . . . . . . 5175 1 93 . 1 1 9 9 ARG CA C 13 57.98 . . 1 . . . . . . . . 5175 1 94 . 1 1 9 9 ARG CB C 13 28.11 . . 1 . . . . . . . . 5175 1 95 . 1 1 10 10 ARG H H 1 8.34 . . 1 . . . . . . . . 5175 1 96 . 1 1 10 10 ARG HA H 1 4.14 . . 1 . . . . . . . . 5175 1 97 . 1 1 10 10 ARG HB2 H 1 2.01 . . 1 . . . . . . . . 5175 1 98 . 1 1 10 10 ARG HB3 H 1 2.01 . . 1 . . . . . . . . 5175 1 99 . 1 1 10 10 ARG HD2 H 1 3.31 . . 2 . . . . . . . . 5175 1 100 . 1 1 10 10 ARG HD3 H 1 3.23 . . 2 . . . . . . . . 5175 1 101 . 1 1 10 10 ARG N N 15 120.29 . . 1 . . . . . . . . 5175 1 102 . 1 1 10 10 ARG CA C 13 60.80 . . 1 . . . . . . . . 5175 1 103 . 1 1 10 10 ARG CB C 13 31.39 . . 1 . . . . . . . . 5175 1 104 . 1 1 11 11 GLU H H 1 8.22 . . 1 . . . . . . . . 5175 1 105 . 1 1 11 11 GLU HA H 1 4.07 . . 1 . . . . . . . . 5175 1 106 . 1 1 11 11 GLU HB2 H 1 1.70 . . 1 . . . . . . . . 5175 1 107 . 1 1 11 11 GLU HB3 H 1 1.70 . . 1 . . . . . . . . 5175 1 108 . 1 1 11 11 GLU N N 15 118.59 . . 1 . . . . . . . . 5175 1 109 . 1 1 11 11 GLU CA C 13 58.06 . . 1 . . . . . . . . 5175 1 110 . 1 1 11 11 GLU CB C 13 30.72 . . 1 . . . . . . . . 5175 1 111 . 1 1 12 12 LEU H H 1 8.26 . . 1 . . . . . . . . 5175 1 112 . 1 1 12 12 LEU HA H 1 4.04 . . 1 . . . . . . . . 5175 1 113 . 1 1 12 12 LEU HB2 H 1 1.89 . . 2 . . . . . . . . 5175 1 114 . 1 1 12 12 LEU HB3 H 1 1.71 . . 2 . . . . . . . . 5175 1 115 . 1 1 12 12 LEU HG H 1 1.65 . . 1 . . . . . . . . 5175 1 116 . 1 1 12 12 LEU HD11 H 1 0.92 . . 1 . . . . . . . . 5175 1 117 . 1 1 12 12 LEU HD12 H 1 0.92 . . 1 . . . . . . . . 5175 1 118 . 1 1 12 12 LEU HD13 H 1 0.92 . . 1 . . . . . . . . 5175 1 119 . 1 1 12 12 LEU HD21 H 1 0.92 . . 1 . . . . . . . . 5175 1 120 . 1 1 12 12 LEU HD22 H 1 0.92 . . 1 . . . . . . . . 5175 1 121 . 1 1 12 12 LEU HD23 H 1 0.92 . . 1 . . . . . . . . 5175 1 122 . 1 1 12 12 LEU N N 15 120.96 . . 1 . . . . . . . . 5175 1 123 . 1 1 12 12 LEU CA C 13 56.99 . . 1 . . . . . . . . 5175 1 124 . 1 1 12 12 LEU CB C 13 39.86 . . 1 . . . . . . . . 5175 1 125 . 1 1 13 13 GLN H H 1 8.00 . . 1 . . . . . . . . 5175 1 126 . 1 1 13 13 GLN HA H 1 3.94 . . 1 . . . . . . . . 5175 1 127 . 1 1 13 13 GLN HB2 H 1 2.18 . . 1 . . . . . . . . 5175 1 128 . 1 1 13 13 GLN HB3 H 1 2.18 . . 1 . . . . . . . . 5175 1 129 . 1 1 13 13 GLN HG2 H 1 2.43 . . 1 . . . . . . . . 5175 1 130 . 1 1 13 13 GLN HG3 H 1 2.43 . . 1 . . . . . . . . 5175 1 131 . 1 1 13 13 GLN N N 15 119.49 . . 1 . . . . . . . . 5175 1 132 . 1 1 13 13 GLN CA C 13 56.53 . . 1 . . . . . . . . 5175 1 133 . 1 1 13 13 GLN CB C 13 38.63 . . 1 . . . . . . . . 5175 1 134 . 1 1 14 14 ARG H H 1 7.91 . . 1 . . . . . . . . 5175 1 135 . 1 1 14 14 ARG HA H 1 4.17 . . 1 . . . . . . . . 5175 1 136 . 1 1 14 14 ARG HB2 H 1 2.01 . . 2 . . . . . . . . 5175 1 137 . 1 1 14 14 ARG HB3 H 1 1.79 . . 2 . . . . . . . . 5175 1 138 . 1 1 14 14 ARG HG2 H 1 1.61 . . 2 . . . . . . . . 5175 1 139 . 1 1 14 14 ARG HG3 H 1 1.57 . . 2 . . . . . . . . 5175 1 140 . 1 1 14 14 ARG HD2 H 1 3.05 . . 1 . . . . . . . . 5175 1 141 . 1 1 14 14 ARG N N 15 122.29 . . 1 . . . . . . . . 5175 1 142 . 1 1 14 14 ARG CA C 13 66.70 . . 1 . . . . . . . . 5175 1 143 . 1 1 14 14 ARG CB C 13 29.62 . . 1 . . . . . . . . 5175 1 144 . 1 1 15 15 ARG H H 1 8.02 . . 1 . . . . . . . . 5175 1 145 . 1 1 15 15 ARG HA H 1 3.89 . . 1 . . . . . . . . 5175 1 146 . 1 1 15 15 ARG HB2 H 1 2.60 . . 2 . . . . . . . . 5175 1 147 . 1 1 15 15 ARG HB3 H 1 2.41 . . 2 . . . . . . . . 5175 1 148 . 1 1 15 15 ARG HD2 H 1 3.10 . . 2 . . . . . . . . 5175 1 149 . 1 1 15 15 ARG HD3 H 1 2.94 . . 2 . . . . . . . . 5175 1 150 . 1 1 15 15 ARG N N 15 121.52 . . 1 . . . . . . . . 5175 1 151 . 1 1 15 15 ARG CA C 13 57.48 . . 1 . . . . . . . . 5175 1 152 . 1 1 15 15 ARG CB C 13 28.83 . . 1 . . . . . . . . 5175 1 153 . 1 1 16 16 LEU H H 1 8.30 . . 1 . . . . . . . . 5175 1 154 . 1 1 16 16 LEU HA H 1 4.18 . . 1 . . . . . . . . 5175 1 155 . 1 1 16 16 LEU HB2 H 1 1.87 . . 1 . . . . . . . . 5175 1 156 . 1 1 16 16 LEU HB3 H 1 1.87 . . 1 . . . . . . . . 5175 1 157 . 1 1 16 16 LEU HG H 1 1.78 . . 1 . . . . . . . . 5175 1 158 . 1 1 16 16 LEU HD11 H 1 0.92 . . 1 . . . . . . . . 5175 1 159 . 1 1 16 16 LEU HD12 H 1 0.92 . . 1 . . . . . . . . 5175 1 160 . 1 1 16 16 LEU HD13 H 1 0.92 . . 1 . . . . . . . . 5175 1 161 . 1 1 16 16 LEU HD21 H 1 0.92 . . 1 . . . . . . . . 5175 1 162 . 1 1 16 16 LEU HD22 H 1 0.92 . . 1 . . . . . . . . 5175 1 163 . 1 1 16 16 LEU HD23 H 1 0.92 . . 1 . . . . . . . . 5175 1 164 . 1 1 16 16 LEU N N 15 121.45 . . 1 . . . . . . . . 5175 1 165 . 1 1 16 16 LEU CA C 13 54.48 . . 1 . . . . . . . . 5175 1 166 . 1 1 16 16 LEU CB C 13 30.88 . . 1 . . . . . . . . 5175 1 167 . 1 1 17 17 ASP H H 1 8.38 . . 1 . . . . . . . . 5175 1 168 . 1 1 17 17 ASP HA H 1 4.51 . . 1 . . . . . . . . 5175 1 169 . 1 1 17 17 ASP HB2 H 1 2.90 . . 2 . . . . . . . . 5175 1 170 . 1 1 17 17 ASP HB3 H 1 2.68 . . 2 . . . . . . . . 5175 1 171 . 1 1 17 17 ASP N N 15 125.29 . . 1 . . . . . . . . 5175 1 172 . 1 1 17 17 ASP CA C 13 61.47 . . 1 . . . . . . . . 5175 1 173 . 1 1 17 17 ASP CB C 13 30.16 . . 1 . . . . . . . . 5175 1 174 . 1 1 18 18 VAL H H 1 7.91 . . 1 . . . . . . . . 5175 1 175 . 1 1 18 18 VAL HA H 1 3.89 . . 1 . . . . . . . . 5175 1 176 . 1 1 18 18 VAL HB H 1 2.33 . . 1 . . . . . . . . 5175 1 177 . 1 1 18 18 VAL HG11 H 1 1.07 . . 1 . . . . . . . . 5175 1 178 . 1 1 18 18 VAL HG12 H 1 1.07 . . 1 . . . . . . . . 5175 1 179 . 1 1 18 18 VAL HG13 H 1 1.07 . . 1 . . . . . . . . 5175 1 180 . 1 1 18 18 VAL HG21 H 1 0.97 . . 1 . . . . . . . . 5175 1 181 . 1 1 18 18 VAL HG22 H 1 0.97 . . 1 . . . . . . . . 5175 1 182 . 1 1 18 18 VAL HG23 H 1 0.97 . . 1 . . . . . . . . 5175 1 183 . 1 1 18 18 VAL N N 15 121.28 . . 1 . . . . . . . . 5175 1 184 . 1 1 18 18 VAL CA C 13 54.79 . . 1 . . . . . . . . 5175 1 185 . 1 1 18 18 VAL CB C 13 39.62 . . 1 . . . . . . . . 5175 1 186 . 1 1 19 19 GLU H H 1 8.56 . . 1 . . . . . . . . 5175 1 187 . 1 1 19 19 GLU HA H 1 4.00 . . 1 . . . . . . . . 5175 1 188 . 1 1 19 19 GLU HB2 H 1 2.34 . . 2 . . . . . . . . 5175 1 189 . 1 1 19 19 GLU HB3 H 1 2.16 . . 2 . . . . . . . . 5175 1 190 . 1 1 19 19 GLU HG2 H 1 2.59 . . 1 . . . . . . . . 5175 1 191 . 1 1 19 19 GLU HG3 H 1 2.59 . . 1 . . . . . . . . 5175 1 192 . 1 1 19 19 GLU N N 15 114.27 . . 1 . . . . . . . . 5175 1 193 . 1 1 19 19 GLU CA C 13 61.13 . . 1 . . . . . . . . 5175 1 194 . 1 1 19 19 GLU CB C 13 30.29 . . 1 . . . . . . . . 5175 1 195 . 1 1 20 20 LYS H H 1 8.44 . . 1 . . . . . . . . 5175 1 196 . 1 1 20 20 LYS HA H 1 4.24 . . 1 . . . . . . . . 5175 1 197 . 1 1 20 20 LYS HB2 H 1 2.05 . . 2 . . . . . . . . 5175 1 198 . 1 1 20 20 LYS HB3 H 1 2.01 . . 2 . . . . . . . . 5175 1 199 . 1 1 20 20 LYS HG2 H 1 1.70 . . 2 . . . . . . . . 5175 1 200 . 1 1 20 20 LYS HG3 H 1 1.61 . . 2 . . . . . . . . 5175 1 201 . 1 1 20 20 LYS HD2 H 1 1.80 . . 1 . . . . . . . . 5175 1 202 . 1 1 20 20 LYS HD3 H 1 1.80 . . 1 . . . . . . . . 5175 1 203 . 1 1 20 20 LYS HE2 H 1 3.03 . . 1 . . . . . . . . 5175 1 204 . 1 1 20 20 LYS HE3 H 1 3.03 . . 1 . . . . . . . . 5175 1 205 . 1 1 20 20 LYS N N 15 125.31 . . 1 . . . . . . . . 5175 1 206 . 1 1 20 20 LYS CA C 13 57.78 . . 1 . . . . . . . . 5175 1 207 . 1 1 20 20 LYS CB C 13 30.69 . . 1 . . . . . . . . 5175 1 208 . 1 1 21 21 TRP H H 1 8.15 . . 1 . . . . . . . . 5175 1 209 . 1 1 21 21 TRP HA H 1 4.27 . . 1 . . . . . . . . 5175 1 210 . 1 1 21 21 TRP HB2 H 1 3.81 . . 2 . . . . . . . . 5175 1 211 . 1 1 21 21 TRP HB3 H 1 3.43 . . 2 . . . . . . . . 5175 1 212 . 1 1 21 21 TRP HD1 H 1 6.97 . . 1 . . . . . . . . 5175 1 213 . 1 1 21 21 TRP HE3 H 1 7.68 . . 1 . . . . . . . . 5175 1 214 . 1 1 21 21 TRP HZ2 H 1 6.74 . . 1 . . . . . . . . 5175 1 215 . 1 1 21 21 TRP HZ3 H 1 7.05 . . 1 . . . . . . . . 5175 1 216 . 1 1 21 21 TRP N N 15 123.32 . . 1 . . . . . . . . 5175 1 217 . 1 1 21 21 TRP CA C 13 60.82 . . 1 . . . . . . . . 5175 1 218 . 1 1 21 21 TRP CB C 13 26.32 . . 1 . . . . . . . . 5175 1 219 . 1 1 22 22 ILE H H 1 9.10 . . 1 . . . . . . . . 5175 1 220 . 1 1 22 22 ILE HA H 1 3.26 . . 1 . . . . . . . . 5175 1 221 . 1 1 22 22 ILE HB H 1 2.32 . . 1 . . . . . . . . 5175 1 222 . 1 1 22 22 ILE HG12 H 1 2.66 . . 1 . . . . . . . . 5175 1 223 . 1 1 22 22 ILE HG13 H 1 2.34 . . 1 . . . . . . . . 5175 1 224 . 1 1 22 22 ILE HG21 H 1 1.08 . . 1 . . . . . . . . 5175 1 225 . 1 1 22 22 ILE HG22 H 1 1.08 . . 1 . . . . . . . . 5175 1 226 . 1 1 22 22 ILE HG23 H 1 1.08 . . 1 . . . . . . . . 5175 1 227 . 1 1 22 22 ILE HD11 H 1 1.03 . . 1 . . . . . . . . 5175 1 228 . 1 1 22 22 ILE HD12 H 1 1.03 . . 1 . . . . . . . . 5175 1 229 . 1 1 22 22 ILE HD13 H 1 1.03 . . 1 . . . . . . . . 5175 1 230 . 1 1 22 22 ILE N N 15 120.98 . . 1 . . . . . . . . 5175 1 231 . 1 1 22 22 ILE CA C 13 66.00 . . 1 . . . . . . . . 5175 1 232 . 1 1 22 22 ILE CB C 13 36.83 . . 1 . . . . . . . . 5175 1 233 . 1 1 23 23 ASP H H 1 7.98 . . 1 . . . . . . . . 5175 1 234 . 1 1 23 23 ASP HA H 1 4.30 . . 1 . . . . . . . . 5175 1 235 . 1 1 23 23 ASP HB2 H 1 2.80 . . 2 . . . . . . . . 5175 1 236 . 1 1 23 23 ASP HB3 H 1 2.70 . . 2 . . . . . . . . 5175 1 237 . 1 1 23 23 ASP N N 15 118.98 . . 1 . . . . . . . . 5175 1 238 . 1 1 23 23 ASP CA C 13 56.97 . . 1 . . . . . . . . 5175 1 239 . 1 1 23 23 ASP CB C 13 39.15 . . 1 . . . . . . . . 5175 1 240 . 1 1 24 24 GLY H H 1 7.81 . . 1 . . . . . . . . 5175 1 241 . 1 1 24 24 GLY HA2 H 1 3.89 . . 2 . . . . . . . . 5175 1 242 . 1 1 24 24 GLY HA3 H 1 3.88 . . 2 . . . . . . . . 5175 1 243 . 1 1 24 24 GLY N N 15 105.18 . . 1 . . . . . . . . 5175 1 244 . 1 1 24 24 GLY CA C 13 45.73 . . 1 . . . . . . . . 5175 1 245 . 1 1 25 25 ARG H H 1 7.84 . . 1 . . . . . . . . 5175 1 246 . 1 1 25 25 ARG HA H 1 4.01 . . 1 . . . . . . . . 5175 1 247 . 1 1 25 25 ARG HB2 H 1 1.47 . . 2 . . . . . . . . 5175 1 248 . 1 1 25 25 ARG HB3 H 1 1.43 . . 2 . . . . . . . . 5175 1 249 . 1 1 25 25 ARG HD2 H 1 2.96 . . 2 . . . . . . . . 5175 1 250 . 1 1 25 25 ARG HD3 H 1 2.93 . . 2 . . . . . . . . 5175 1 251 . 1 1 25 25 ARG N N 15 121.17 . . 1 . . . . . . . . 5175 1 252 . 1 1 25 25 ARG CA C 13 55.98 . . 1 . . . . . . . . 5175 1 253 . 1 1 25 25 ARG CB C 13 28.23 . . 1 . . . . . . . . 5175 1 254 . 1 1 26 26 LEU H H 1 8.85 . . 1 . . . . . . . . 5175 1 255 . 1 1 26 26 LEU HA H 1 3.85 . . 1 . . . . . . . . 5175 1 256 . 1 1 26 26 LEU HB2 H 1 2.00 . . 2 . . . . . . . . 5175 1 257 . 1 1 26 26 LEU HB3 H 1 1.33 . . 2 . . . . . . . . 5175 1 258 . 1 1 26 26 LEU HG H 1 1.80 . . 1 . . . . . . . . 5175 1 259 . 1 1 26 26 LEU HD11 H 1 0.59 . . 1 . . . . . . . . 5175 1 260 . 1 1 26 26 LEU HD12 H 1 0.59 . . 1 . . . . . . . . 5175 1 261 . 1 1 26 26 LEU HD13 H 1 0.59 . . 1 . . . . . . . . 5175 1 262 . 1 1 26 26 LEU HD21 H 1 0.79 . . 1 . . . . . . . . 5175 1 263 . 1 1 26 26 LEU HD22 H 1 0.79 . . 1 . . . . . . . . 5175 1 264 . 1 1 26 26 LEU HD23 H 1 0.79 . . 1 . . . . . . . . 5175 1 265 . 1 1 26 26 LEU N N 15 120.09 . . 1 . . . . . . . . 5175 1 266 . 1 1 26 26 LEU CA C 13 57.45 . . 1 . . . . . . . . 5175 1 267 . 1 1 26 26 LEU CB C 13 40.10 . . 1 . . . . . . . . 5175 1 268 . 1 1 27 27 GLU H H 1 7.62 . . 1 . . . . . . . . 5175 1 269 . 1 1 27 27 GLU HA H 1 3.87 . . 1 . . . . . . . . 5175 1 270 . 1 1 27 27 GLU HB2 H 1 2.07 . . 1 . . . . . . . . 5175 1 271 . 1 1 27 27 GLU HB3 H 1 2.07 . . 1 . . . . . . . . 5175 1 272 . 1 1 27 27 GLU HG2 H 1 2.48 . . 2 . . . . . . . . 5175 1 273 . 1 1 27 27 GLU HG3 H 1 2.19 . . 2 . . . . . . . . 5175 1 274 . 1 1 27 27 GLU N N 15 117.75 . . 1 . . . . . . . . 5175 1 275 . 1 1 27 27 GLU CA C 13 58.83 . . 1 . . . . . . . . 5175 1 276 . 1 1 27 27 GLU CB C 13 27.43 . . 1 . . . . . . . . 5175 1 277 . 1 1 28 28 GLU H H 1 6.88 . . 1 . . . . . . . . 5175 1 278 . 1 1 28 28 GLU HA H 1 4.00 . . 1 . . . . . . . . 5175 1 279 . 1 1 28 28 GLU HB2 H 1 2.17 . . 2 . . . . . . . . 5175 1 280 . 1 1 28 28 GLU HB3 H 1 2.00 . . 2 . . . . . . . . 5175 1 281 . 1 1 28 28 GLU HG2 H 1 2.36 . . 2 . . . . . . . . 5175 1 282 . 1 1 28 28 GLU HG3 H 1 2.29 . . 2 . . . . . . . . 5175 1 283 . 1 1 28 28 GLU N N 15 116.23 . . 1 . . . . . . . . 5175 1 284 . 1 1 28 28 GLU CA C 13 57.77 . . 1 . . . . . . . . 5175 1 285 . 1 1 28 28 GLU CB C 13 28.85 . . 1 . . . . . . . . 5175 1 286 . 1 1 29 29 LEU H H 1 8.47 . . 1 . . . . . . . . 5175 1 287 . 1 1 29 29 LEU HA H 1 3.79 . . 1 . . . . . . . . 5175 1 288 . 1 1 29 29 LEU HB2 H 1 1.68 . . 2 . . . . . . . . 5175 1 289 . 1 1 29 29 LEU HB3 H 1 1.29 . . 2 . . . . . . . . 5175 1 290 . 1 1 29 29 LEU HG H 1 1.59 . . 1 . . . . . . . . 5175 1 291 . 1 1 29 29 LEU HD11 H 1 0.74 . . 1 . . . . . . . . 5175 1 292 . 1 1 29 29 LEU HD12 H 1 0.74 . . 1 . . . . . . . . 5175 1 293 . 1 1 29 29 LEU HD13 H 1 0.74 . . 1 . . . . . . . . 5175 1 294 . 1 1 29 29 LEU HD21 H 1 0.32 . . 1 . . . . . . . . 5175 1 295 . 1 1 29 29 LEU HD22 H 1 0.32 . . 1 . . . . . . . . 5175 1 296 . 1 1 29 29 LEU HD23 H 1 0.32 . . 1 . . . . . . . . 5175 1 297 . 1 1 29 29 LEU N N 15 120.70 . . 1 . . . . . . . . 5175 1 298 . 1 1 29 29 LEU CA C 13 56.73 . . 1 . . . . . . . . 5175 1 299 . 1 1 29 29 LEU CB C 13 41.03 . . 1 . . . . . . . . 5175 1 300 . 1 1 30 30 TYR H H 1 7.90 . . 1 . . . . . . . . 5175 1 301 . 1 1 30 30 TYR HA H 1 4.27 . . 1 . . . . . . . . 5175 1 302 . 1 1 30 30 TYR HB2 H 1 3.32 . . 2 . . . . . . . . 5175 1 303 . 1 1 30 30 TYR HB3 H 1 2.58 . . 2 . . . . . . . . 5175 1 304 . 1 1 30 30 TYR HD1 H 1 7.29 . . 1 . . . . . . . . 5175 1 305 . 1 1 30 30 TYR HD2 H 1 7.29 . . 1 . . . . . . . . 5175 1 306 . 1 1 30 30 TYR HE1 H 1 6.46 . . 1 . . . . . . . . 5175 1 307 . 1 1 30 30 TYR HE2 H 1 6.46 . . 1 . . . . . . . . 5175 1 308 . 1 1 30 30 TYR N N 15 114.58 . . 1 . . . . . . . . 5175 1 309 . 1 1 30 30 TYR CA C 13 57.03 . . 1 . . . . . . . . 5175 1 310 . 1 1 30 30 TYR CB C 13 35.17 . . 1 . . . . . . . . 5175 1 311 . 1 1 31 31 ARG H H 1 6.84 . . 1 . . . . . . . . 5175 1 312 . 1 1 31 31 ARG HA H 1 4.14 . . 1 . . . . . . . . 5175 1 313 . 1 1 31 31 ARG HB2 H 1 2.14 . . 2 . . . . . . . . 5175 1 314 . 1 1 31 31 ARG HB3 H 1 1.71 . . 2 . . . . . . . . 5175 1 315 . 1 1 31 31 ARG HG2 H 1 1.39 . . 1 . . . . . . . . 5175 1 316 . 1 1 31 31 ARG HG3 H 1 1.39 . . 1 . . . . . . . . 5175 1 317 . 1 1 31 31 ARG HD2 H 1 3.23 . . 1 . . . . . . . . 5175 1 318 . 1 1 31 31 ARG HD3 H 1 3.23 . . 1 . . . . . . . . 5175 1 319 . 1 1 31 31 ARG N N 15 123.33 . . 1 . . . . . . . . 5175 1 320 . 1 1 31 31 ARG CA C 13 57.76 . . 1 . . . . . . . . 5175 1 321 . 1 1 31 31 ARG CB C 13 27.30 . . 1 . . . . . . . . 5175 1 322 . 1 1 32 32 GLY H H 1 9.38 . . 1 . . . . . . . . 5175 1 323 . 1 1 32 32 GLY HA2 H 1 4.34 . . 2 . . . . . . . . 5175 1 324 . 1 1 32 32 GLY HA3 H 1 3.88 . . 2 . . . . . . . . 5175 1 325 . 1 1 32 32 GLY N N 15 119.05 . . 1 . . . . . . . . 5175 1 326 . 1 1 32 32 GLY CA C 13 44.58 . . 1 . . . . . . . . 5175 1 327 . 1 1 33 33 ARG H H 1 8.72 . . 1 . . . . . . . . 5175 1 328 . 1 1 33 33 ARG HA H 1 4.77 . . 1 . . . . . . . . 5175 1 329 . 1 1 33 33 ARG HB2 H 1 2.34 . . 2 . . . . . . . . 5175 1 330 . 1 1 33 33 ARG HB3 H 1 1.52 . . 2 . . . . . . . . 5175 1 331 . 1 1 33 33 ARG HG2 H 1 1.64 . . 1 . . . . . . . . 5175 1 332 . 1 1 33 33 ARG HG3 H 1 1.64 . . 1 . . . . . . . . 5175 1 333 . 1 1 33 33 ARG HD2 H 1 3.29 . . 1 . . . . . . . . 5175 1 334 . 1 1 33 33 ARG HD3 H 1 3.29 . . 1 . . . . . . . . 5175 1 335 . 1 1 33 33 ARG N N 15 123.94 . . 1 . . . . . . . . 5175 1 336 . 1 1 33 33 ARG CA C 13 53.28 . . 1 . . . . . . . . 5175 1 337 . 1 1 33 33 ARG CB C 13 28.64 . . 1 . . . . . . . . 5175 1 338 . 1 1 34 34 GLU H H 1 9.27 . . 1 . . . . . . . . 5175 1 339 . 1 1 34 34 GLU HA H 1 3.77 . . 1 . . . . . . . . 5175 1 340 . 1 1 34 34 GLU HB2 H 1 2.07 . . 2 . . . . . . . . 5175 1 341 . 1 1 34 34 GLU HB3 H 1 1.94 . . 2 . . . . . . . . 5175 1 342 . 1 1 34 34 GLU HG2 H 1 2.66 . . 2 . . . . . . . . 5175 1 343 . 1 1 34 34 GLU HG3 H 1 2.32 . . 2 . . . . . . . . 5175 1 344 . 1 1 34 34 GLU N N 15 121.51 . . 1 . . . . . . . . 5175 1 345 . 1 1 34 34 GLU CA C 13 61.55 . . 1 . . . . . . . . 5175 1 346 . 1 1 34 34 GLU CB C 13 26.33 . . 1 . . . . . . . . 5175 1 347 . 1 1 35 35 ALA H H 1 8.56 . . 1 . . . . . . . . 5175 1 348 . 1 1 35 35 ALA HA H 1 4.15 . . 1 . . . . . . . . 5175 1 349 . 1 1 35 35 ALA HB1 H 1 1.39 . . 1 . . . . . . . . 5175 1 350 . 1 1 35 35 ALA HB2 H 1 1.39 . . 1 . . . . . . . . 5175 1 351 . 1 1 35 35 ALA HB3 H 1 1.39 . . 1 . . . . . . . . 5175 1 352 . 1 1 35 35 ALA N N 15 120.62 . . 1 . . . . . . . . 5175 1 353 . 1 1 35 35 ALA CA C 13 52.91 . . 1 . . . . . . . . 5175 1 354 . 1 1 35 35 ALA CB C 13 16.33 . . 1 . . . . . . . . 5175 1 355 . 1 1 36 36 ASP H H 1 7.95 . . 1 . . . . . . . . 5175 1 356 . 1 1 36 36 ASP HA H 1 4.65 . . 1 . . . . . . . . 5175 1 357 . 1 1 36 36 ASP HB2 H 1 2.93 . . 1 . . . . . . . . 5175 1 358 . 1 1 36 36 ASP HB3 H 1 2.93 . . 1 . . . . . . . . 5175 1 359 . 1 1 36 36 ASP N N 15 115.93 . . 1 . . . . . . . . 5175 1 360 . 1 1 36 36 ASP CA C 13 53.11 . . 1 . . . . . . . . 5175 1 361 . 1 1 36 36 ASP CB C 13 40.29 . . 1 . . . . . . . . 5175 1 362 . 1 1 37 37 MET H H 1 7.12 . . 1 . . . . . . . . 5175 1 363 . 1 1 37 37 MET HA H 1 2.60 . . 1 . . . . . . . . 5175 1 364 . 1 1 37 37 MET HB2 H 1 1.71 . . 2 . . . . . . . . 5175 1 365 . 1 1 37 37 MET HB3 H 1 1.52 . . 2 . . . . . . . . 5175 1 366 . 1 1 37 37 MET HG2 H 1 2.12 . . 1 . . . . . . . . 5175 1 367 . 1 1 37 37 MET HG3 H 1 2.12 . . 1 . . . . . . . . 5175 1 368 . 1 1 37 37 MET N N 15 121.50 . . 1 . . . . . . . . 5175 1 369 . 1 1 37 37 MET CA C 13 53.30 . . 1 . . . . . . . . 5175 1 370 . 1 1 37 37 MET CB C 13 31.95 . . 1 . . . . . . . . 5175 1 371 . 1 1 38 38 PRO HA H 1 4.39 . . 1 . . . . . . . . 5175 1 372 . 1 1 38 38 PRO HB2 H 1 2.36 . . 2 . . . . . . . . 5175 1 373 . 1 1 38 38 PRO HB3 H 1 1.71 . . 2 . . . . . . . . 5175 1 374 . 1 1 38 38 PRO HG2 H 1 1.89 . . 2 . . . . . . . . 5175 1 375 . 1 1 38 38 PRO HG3 H 1 1.73 . . 2 . . . . . . . . 5175 1 376 . 1 1 38 38 PRO HD2 H 1 3.34 . . 2 . . . . . . . . 5175 1 377 . 1 1 38 38 PRO HD3 H 1 2.96 . . 2 . . . . . . . . 5175 1 378 . 1 1 38 38 PRO CA C 13 53.55 . . 1 . . . . . . . . 5175 1 379 . 1 1 38 38 PRO CB C 13 29.88 . . 1 . . . . . . . . 5175 1 380 . 1 1 39 39 ASP H H 1 8.41 . . 1 . . . . . . . . 5175 1 381 . 1 1 39 39 ASP HA H 1 4.29 . . 1 . . . . . . . . 5175 1 382 . 1 1 39 39 ASP HB2 H 1 2.64 . . 1 . . . . . . . . 5175 1 383 . 1 1 39 39 ASP HB3 H 1 2.64 . . 1 . . . . . . . . 5175 1 384 . 1 1 39 39 ASP N N 15 120.74 . . 1 . . . . . . . . 5175 1 385 . 1 1 39 39 ASP CA C 13 56.98 . . 1 . . . . . . . . 5175 1 386 . 1 1 39 39 ASP CB C 13 40.28 . . 1 . . . . . . . . 5175 1 387 . 1 1 40 40 GLU H H 1 7.53 . . 1 . . . . . . . . 5175 1 388 . 1 1 40 40 GLU HA H 1 4.40 . . 1 . . . . . . . . 5175 1 389 . 1 1 40 40 GLU HB2 H 1 2.06 . . 2 . . . . . . . . 5175 1 390 . 1 1 40 40 GLU HB3 H 1 1.89 . . 2 . . . . . . . . 5175 1 391 . 1 1 40 40 GLU HG2 H 1 2.11 . . 2 . . . . . . . . 5175 1 392 . 1 1 40 40 GLU HG3 H 1 2.05 . . 2 . . . . . . . . 5175 1 393 . 1 1 40 40 GLU N N 15 118.72 . . 1 . . . . . . . . 5175 1 394 . 1 1 40 40 GLU CA C 13 57.46 . . 1 . . . . . . . . 5175 1 395 . 1 1 40 40 GLU CB C 13 26.73 . . 1 . . . . . . . . 5175 1 396 . 1 1 41 41 VAL H H 1 8.74 . . 1 . . . . . . . . 5175 1 397 . 1 1 41 41 VAL HA H 1 3.94 . . 1 . . . . . . . . 5175 1 398 . 1 1 41 41 VAL HB H 1 2.18 . . 1 . . . . . . . . 5175 1 399 . 1 1 41 41 VAL HG11 H 1 0.89 . . 1 . . . . . . . . 5175 1 400 . 1 1 41 41 VAL HG12 H 1 0.89 . . 1 . . . . . . . . 5175 1 401 . 1 1 41 41 VAL HG13 H 1 0.89 . . 1 . . . . . . . . 5175 1 402 . 1 1 41 41 VAL HG21 H 1 0.82 . . 1 . . . . . . . . 5175 1 403 . 1 1 41 41 VAL HG22 H 1 0.82 . . 1 . . . . . . . . 5175 1 404 . 1 1 41 41 VAL HG23 H 1 0.82 . . 1 . . . . . . . . 5175 1 405 . 1 1 41 41 VAL N N 15 118.73 . . 1 . . . . . . . . 5175 1 406 . 1 1 41 41 VAL CA C 13 58.58 . . 1 . . . . . . . . 5175 1 407 . 1 1 41 41 VAL CB C 13 28.86 . . 1 . . . . . . . . 5175 1 408 . 1 1 42 42 ASN H H 1 8.79 . . 1 . . . . . . . . 5175 1 409 . 1 1 42 42 ASN HA H 1 4.69 . . 1 . . . . . . . . 5175 1 410 . 1 1 42 42 ASN HB2 H 1 2.99 . . 2 . . . . . . . . 5175 1 411 . 1 1 42 42 ASN HB3 H 1 2.59 . . 2 . . . . . . . . 5175 1 412 . 1 1 42 42 ASN N N 15 119.70 . . 1 . . . . . . . . 5175 1 413 . 1 1 42 42 ASN CA C 13 52.05 . . 1 . . . . . . . . 5175 1 414 . 1 1 42 42 ASN CB C 13 37.54 . . 1 . . . . . . . . 5175 1 415 . 1 1 43 43 ILE H H 1 8.79 . . 1 . . . . . . . . 5175 1 416 . 1 1 43 43 ILE HA H 1 3.60 . . 1 . . . . . . . . 5175 1 417 . 1 1 43 43 ILE HB H 1 1.82 . . 1 . . . . . . . . 5175 1 418 . 1 1 43 43 ILE HG12 H 1 1.68 . . 1 . . . . . . . . 5175 1 419 . 1 1 43 43 ILE HG13 H 1 1.10 . . 1 . . . . . . . . 5175 1 420 . 1 1 43 43 ILE HG21 H 1 0.80 . . 1 . . . . . . . . 5175 1 421 . 1 1 43 43 ILE HG22 H 1 0.80 . . 1 . . . . . . . . 5175 1 422 . 1 1 43 43 ILE HG23 H 1 0.80 . . 1 . . . . . . . . 5175 1 423 . 1 1 43 43 ILE HD11 H 1 0.86 . . 1 . . . . . . . . 5175 1 424 . 1 1 43 43 ILE HD12 H 1 0.86 . . 1 . . . . . . . . 5175 1 425 . 1 1 43 43 ILE HD13 H 1 0.86 . . 1 . . . . . . . . 5175 1 426 . 1 1 43 43 ILE N N 15 126.19 . . 1 . . . . . . . . 5175 1 427 . 1 1 43 43 ILE CA C 13 64.38 . . 1 . . . . . . . . 5175 1 428 . 1 1 43 43 ILE CB C 13 37.26 . . 1 . . . . . . . . 5175 1 429 . 1 1 44 44 ASP H H 1 7.99 . . 1 . . . . . . . . 5175 1 430 . 1 1 44 44 ASP HA H 1 4.34 . . 1 . . . . . . . . 5175 1 431 . 1 1 44 44 ASP HB2 H 1 2.81 . . 2 . . . . . . . . 5175 1 432 . 1 1 44 44 ASP HB3 H 1 2.65 . . 2 . . . . . . . . 5175 1 433 . 1 1 44 44 ASP N N 15 120.31 . . 1 . . . . . . . . 5175 1 434 . 1 1 44 44 ASP CA C 13 57.61 . . 1 . . . . . . . . 5175 1 435 . 1 1 44 44 ASP CB C 13 38.66 . . 1 . . . . . . . . 5175 1 436 . 1 1 45 45 GLU H H 1 7.82 . . 1 . . . . . . . . 5175 1 437 . 1 1 45 45 GLU HA H 1 3.99 . . 1 . . . . . . . . 5175 1 438 . 1 1 45 45 GLU HB2 H 1 2.00 . . 1 . . . . . . . . 5175 1 439 . 1 1 45 45 GLU HB3 H 1 2.00 . . 1 . . . . . . . . 5175 1 440 . 1 1 45 45 GLU HG2 H 1 2.17 . . 1 . . . . . . . . 5175 1 441 . 1 1 45 45 GLU HG3 H 1 2.17 . . 1 . . . . . . . . 5175 1 442 . 1 1 45 45 GLU N N 15 118.57 . . 1 . . . . . . . . 5175 1 443 . 1 1 45 45 GLU CA C 13 57.82 . . 1 . . . . . . . . 5175 1 444 . 1 1 45 45 GLU CB C 13 28.42 . . 1 . . . . . . . . 5175 1 445 . 1 1 46 46 LEU H H 1 7.35 . . 1 . . . . . . . . 5175 1 446 . 1 1 46 46 LEU HA H 1 4.10 . . 1 . . . . . . . . 5175 1 447 . 1 1 46 46 LEU HB2 H 1 2.09 . . 2 . . . . . . . . 5175 1 448 . 1 1 46 46 LEU HB3 H 1 1.12 . . 2 . . . . . . . . 5175 1 449 . 1 1 46 46 LEU HG H 1 1.94 . . 1 . . . . . . . . 5175 1 450 . 1 1 46 46 LEU HD11 H 1 0.78 . . 1 . . . . . . . . 5175 1 451 . 1 1 46 46 LEU HD12 H 1 0.78 . . 1 . . . . . . . . 5175 1 452 . 1 1 46 46 LEU HD13 H 1 0.78 . . 1 . . . . . . . . 5175 1 453 . 1 1 46 46 LEU HD21 H 1 0.85 . . 1 . . . . . . . . 5175 1 454 . 1 1 46 46 LEU HD22 H 1 0.85 . . 1 . . . . . . . . 5175 1 455 . 1 1 46 46 LEU HD23 H 1 0.85 . . 1 . . . . . . . . 5175 1 456 . 1 1 46 46 LEU N N 15 117.86 . . 1 . . . . . . . . 5175 1 457 . 1 1 46 46 LEU CA C 13 56.63 . . 1 . . . . . . . . 5175 1 458 . 1 1 46 46 LEU CB C 13 41.23 . . 1 . . . . . . . . 5175 1 459 . 1 1 47 47 LEU H H 1 8.26 . . 1 . . . . . . . . 5175 1 460 . 1 1 47 47 LEU HA H 1 4.10 . . 1 . . . . . . . . 5175 1 461 . 1 1 47 47 LEU HB2 H 1 1.92 . . 2 . . . . . . . . 5175 1 462 . 1 1 47 47 LEU HB3 H 1 1.40 . . 2 . . . . . . . . 5175 1 463 . 1 1 47 47 LEU HG H 1 1.85 . . 1 . . . . . . . . 5175 1 464 . 1 1 47 47 LEU HD11 H 1 0.85 . . 1 . . . . . . . . 5175 1 465 . 1 1 47 47 LEU HD12 H 1 0.85 . . 1 . . . . . . . . 5175 1 466 . 1 1 47 47 LEU HD13 H 1 0.85 . . 1 . . . . . . . . 5175 1 467 . 1 1 47 47 LEU HD21 H 1 0.79 . . 1 . . . . . . . . 5175 1 468 . 1 1 47 47 LEU HD22 H 1 0.79 . . 1 . . . . . . . . 5175 1 469 . 1 1 47 47 LEU HD23 H 1 0.79 . . 1 . . . . . . . . 5175 1 470 . 1 1 47 47 LEU N N 15 117.10 . . 1 . . . . . . . . 5175 1 471 . 1 1 47 47 LEU CA C 13 55.27 . . 1 . . . . . . . . 5175 1 472 . 1 1 47 47 LEU CB C 13 40.43 . . 1 . . . . . . . . 5175 1 473 . 1 1 48 48 GLU H H 1 7.28 . . 1 . . . . . . . . 5175 1 474 . 1 1 48 48 GLU HA H 1 4.05 . . 1 . . . . . . . . 5175 1 475 . 1 1 48 48 GLU HB2 H 1 2.10 . . 2 . . . . . . . . 5175 1 476 . 1 1 48 48 GLU HB3 H 1 2.07 . . 2 . . . . . . . . 5175 1 477 . 1 1 48 48 GLU HG2 H 1 2.42 . . 2 . . . . . . . . 5175 1 478 . 1 1 48 48 GLU HG3 H 1 2.34 . . 2 . . . . . . . . 5175 1 479 . 1 1 48 48 GLU N N 15 116.30 . . 1 . . . . . . . . 5175 1 480 . 1 1 48 48 GLU CA C 13 56.42 . . 1 . . . . . . . . 5175 1 481 . 1 1 48 48 GLU CB C 13 28.37 . . 1 . . . . . . . . 5175 1 482 . 1 1 49 49 LEU H H 1 7.15 . . 1 . . . . . . . . 5175 1 483 . 1 1 49 49 LEU HA H 1 4.45 . . 1 . . . . . . . . 5175 1 484 . 1 1 49 49 LEU HB2 H 1 2.13 . . 2 . . . . . . . . 5175 1 485 . 1 1 49 49 LEU HB3 H 1 1.26 . . 2 . . . . . . . . 5175 1 486 . 1 1 49 49 LEU HG H 1 2.00 . . 1 . . . . . . . . 5175 1 487 . 1 1 49 49 LEU HD11 H 1 0.91 . . 1 . . . . . . . . 5175 1 488 . 1 1 49 49 LEU HD12 H 1 0.91 . . 1 . . . . . . . . 5175 1 489 . 1 1 49 49 LEU HD13 H 1 0.91 . . 1 . . . . . . . . 5175 1 490 . 1 1 49 49 LEU HD21 H 1 0.91 . . 1 . . . . . . . . 5175 1 491 . 1 1 49 49 LEU HD22 H 1 0.91 . . 1 . . . . . . . . 5175 1 492 . 1 1 49 49 LEU HD23 H 1 0.91 . . 1 . . . . . . . . 5175 1 493 . 1 1 49 49 LEU N N 15 119.86 . . 1 . . . . . . . . 5175 1 494 . 1 1 49 49 LEU CA C 13 52.83 . . 1 . . . . . . . . 5175 1 495 . 1 1 49 49 LEU CB C 13 40.29 . . 1 . . . . . . . . 5175 1 496 . 1 1 50 50 GLU H H 1 8.75 . . 1 . . . . . . . . 5175 1 497 . 1 1 50 50 GLU HA H 1 4.13 . . 1 . . . . . . . . 5175 1 498 . 1 1 50 50 GLU HB2 H 1 2.13 . . 2 . . . . . . . . 5175 1 499 . 1 1 50 50 GLU HB3 H 1 2.11 . . 2 . . . . . . . . 5175 1 500 . 1 1 50 50 GLU HG2 H 1 2.35 . . 2 . . . . . . . . 5175 1 501 . 1 1 50 50 GLU HG3 H 1 2.25 . . 2 . . . . . . . . 5175 1 502 . 1 1 50 50 GLU N N 15 123.14 . . 1 . . . . . . . . 5175 1 503 . 1 1 50 50 GLU CA C 13 57.50 . . 1 . . . . . . . . 5175 1 504 . 1 1 50 50 GLU CB C 13 28.79 . . 1 . . . . . . . . 5175 1 505 . 1 1 51 51 SER H H 1 7.81 . . 1 . . . . . . . . 5175 1 506 . 1 1 51 51 SER HA H 1 4.77 . . 1 . . . . . . . . 5175 1 507 . 1 1 51 51 SER HB2 H 1 4.25 . . 2 . . . . . . . . 5175 1 508 . 1 1 51 51 SER HB3 H 1 3.92 . . 2 . . . . . . . . 5175 1 509 . 1 1 51 51 SER N N 15 111.79 . . 1 . . . . . . . . 5175 1 510 . 1 1 51 51 SER CA C 13 55.45 . . 1 . . . . . . . . 5175 1 511 . 1 1 51 51 SER CB C 13 64.58 . . 1 . . . . . . . . 5175 1 512 . 1 1 52 52 GLU H H 1 9.21 . . 1 . . . . . . . . 5175 1 513 . 1 1 52 52 GLU HA H 1 3.94 . . 1 . . . . . . . . 5175 1 514 . 1 1 52 52 GLU HB2 H 1 2.06 . . 1 . . . . . . . . 5175 1 515 . 1 1 52 52 GLU HB3 H 1 2.06 . . 1 . . . . . . . . 5175 1 516 . 1 1 52 52 GLU HG2 H 1 2.50 . . 2 . . . . . . . . 5175 1 517 . 1 1 52 52 GLU HG3 H 1 2.23 . . 2 . . . . . . . . 5175 1 518 . 1 1 52 52 GLU N N 15 126.54 . . 1 . . . . . . . . 5175 1 519 . 1 1 52 52 GLU CA C 13 59.16 . . 1 . . . . . . . . 5175 1 520 . 1 1 52 52 GLU CB C 13 27.50 . . 1 . . . . . . . . 5175 1 521 . 1 1 53 53 GLU H H 1 8.69 . . 1 . . . . . . . . 5175 1 522 . 1 1 53 53 GLU HA H 1 4.08 . . 1 . . . . . . . . 5175 1 523 . 1 1 53 53 GLU HB2 H 1 2.07 . . 2 . . . . . . . . 5175 1 524 . 1 1 53 53 GLU HB3 H 1 1.93 . . 2 . . . . . . . . 5175 1 525 . 1 1 53 53 GLU HG2 H 1 2.31 . . 1 . . . . . . . . 5175 1 526 . 1 1 53 53 GLU HG3 H 1 2.31 . . 1 . . . . . . . . 5175 1 527 . 1 1 53 53 GLU N N 15 120.67 . . 1 . . . . . . . . 5175 1 528 . 1 1 53 53 GLU CA C 13 58.76 . . 1 . . . . . . . . 5175 1 529 . 1 1 53 53 GLU CB C 13 27.18 . . 1 . . . . . . . . 5175 1 530 . 1 1 54 54 GLU H H 1 7.69 . . 1 . . . . . . . . 5175 1 531 . 1 1 54 54 GLU HA H 1 4.05 . . 1 . . . . . . . . 5175 1 532 . 1 1 54 54 GLU HB2 H 1 2.18 . . 2 . . . . . . . . 5175 1 533 . 1 1 54 54 GLU HB3 H 1 2.00 . . 2 . . . . . . . . 5175 1 534 . 1 1 54 54 GLU HG2 H 1 2.40 . . 2 . . . . . . . . 5175 1 535 . 1 1 54 54 GLU HG3 H 1 2.32 . . 2 . . . . . . . . 5175 1 536 . 1 1 54 54 GLU N N 15 119.08 . . 1 . . . . . . . . 5175 1 537 . 1 1 54 54 GLU CA C 13 58.26 . . 1 . . . . . . . . 5175 1 538 . 1 1 54 54 GLU CB C 13 28.84 . . 1 . . . . . . . . 5175 1 539 . 1 1 55 55 ARG H H 1 8.12 . . 1 . . . . . . . . 5175 1 540 . 1 1 55 55 ARG HA H 1 3.88 . . 1 . . . . . . . . 5175 1 541 . 1 1 55 55 ARG HB2 H 1 2.05 . . 2 . . . . . . . . 5175 1 542 . 1 1 55 55 ARG HB3 H 1 2.02 . . 2 . . . . . . . . 5175 1 543 . 1 1 55 55 ARG HG2 H 1 1.86 . . 2 . . . . . . . . 5175 1 544 . 1 1 55 55 ARG HG3 H 1 1.50 . . 2 . . . . . . . . 5175 1 545 . 1 1 55 55 ARG HD2 H 1 2.93 . . 2 . . . . . . . . 5175 1 546 . 1 1 55 55 ARG HD3 H 1 2.89 . . 2 . . . . . . . . 5175 1 547 . 1 1 55 55 ARG N N 15 119.86 . . 1 . . . . . . . . 5175 1 548 . 1 1 55 55 ARG CA C 13 59.69 . . 1 . . . . . . . . 5175 1 549 . 1 1 55 55 ARG CB C 13 29.40 . . 1 . . . . . . . . 5175 1 550 . 1 1 56 56 SER H H 1 8.65 . . 1 . . . . . . . . 5175 1 551 . 1 1 56 56 SER HA H 1 3.89 . . 1 . . . . . . . . 5175 1 552 . 1 1 56 56 SER HB2 H 1 4.02 . . 2 . . . . . . . . 5175 1 553 . 1 1 56 56 SER HB3 H 1 3.98 . . 2 . . . . . . . . 5175 1 554 . 1 1 56 56 SER N N 15 113.68 . . 1 . . . . . . . . 5175 1 555 . 1 1 56 56 SER CA C 13 60.99 . . 1 . . . . . . . . 5175 1 556 . 1 1 56 56 SER CB C 13 61.95 . . 1 . . . . . . . . 5175 1 557 . 1 1 57 57 ARG H H 1 7.92 . . 1 . . . . . . . . 5175 1 558 . 1 1 57 57 ARG HA H 1 4.05 . . 1 . . . . . . . . 5175 1 559 . 1 1 57 57 ARG HB2 H 1 1.90 . . 1 . . . . . . . . 5175 1 560 . 1 1 57 57 ARG HB3 H 1 1.90 . . 1 . . . . . . . . 5175 1 561 . 1 1 57 57 ARG HD2 H 1 3.26 . . 2 . . . . . . . . 5175 1 562 . 1 1 57 57 ARG HD3 H 1 3.19 . . 2 . . . . . . . . 5175 1 563 . 1 1 57 57 ARG N N 15 119.61 . . 1 . . . . . . . . 5175 1 564 . 1 1 57 57 ARG CA C 13 58.75 . . 1 . . . . . . . . 5175 1 565 . 1 1 57 57 ARG CB C 13 29.86 . . 1 . . . . . . . . 5175 1 566 . 1 1 58 58 LYS H H 1 7.89 . . 1 . . . . . . . . 5175 1 567 . 1 1 58 58 LYS HA H 1 4.20 . . 1 . . . . . . . . 5175 1 568 . 1 1 58 58 LYS HB2 H 1 1.81 . . 2 . . . . . . . . 5175 1 569 . 1 1 58 58 LYS HB3 H 1 1.67 . . 2 . . . . . . . . 5175 1 570 . 1 1 58 58 LYS HG2 H 1 0.93 . . 1 . . . . . . . . 5175 1 571 . 1 1 58 58 LYS HG3 H 1 0.93 . . 1 . . . . . . . . 5175 1 572 . 1 1 58 58 LYS HD2 H 1 1.89 . . 1 . . . . . . . . 5175 1 573 . 1 1 58 58 LYS HD3 H 1 1.89 . . 1 . . . . . . . . 5175 1 574 . 1 1 58 58 LYS HE2 H 1 2.93 . . 1 . . . . . . . . 5175 1 575 . 1 1 58 58 LYS HE3 H 1 2.93 . . 1 . . . . . . . . 5175 1 576 . 1 1 58 58 LYS N N 15 121.09 . . 1 . . . . . . . . 5175 1 577 . 1 1 58 58 LYS CA C 13 57.89 . . 1 . . . . . . . . 5175 1 578 . 1 1 58 58 LYS CB C 13 30.35 . . 1 . . . . . . . . 5175 1 579 . 1 1 59 59 ILE H H 1 8.37 . . 1 . . . . . . . . 5175 1 580 . 1 1 59 59 ILE HA H 1 3.67 . . 1 . . . . . . . . 5175 1 581 . 1 1 59 59 ILE HB H 1 1.90 . . 1 . . . . . . . . 5175 1 582 . 1 1 59 59 ILE HG12 H 1 2.05 . . 1 . . . . . . . . 5175 1 583 . 1 1 59 59 ILE HG13 H 1 2.01 . . 1 . . . . . . . . 5175 1 584 . 1 1 59 59 ILE HG21 H 1 1.07 . . 1 . . . . . . . . 5175 1 585 . 1 1 59 59 ILE HG22 H 1 1.07 . . 1 . . . . . . . . 5175 1 586 . 1 1 59 59 ILE HG23 H 1 1.07 . . 1 . . . . . . . . 5175 1 587 . 1 1 59 59 ILE HD11 H 1 0.81 . . 1 . . . . . . . . 5175 1 588 . 1 1 59 59 ILE HD12 H 1 0.81 . . 1 . . . . . . . . 5175 1 589 . 1 1 59 59 ILE HD13 H 1 0.81 . . 1 . . . . . . . . 5175 1 590 . 1 1 59 59 ILE N N 15 119.80 . . 1 . . . . . . . . 5175 1 591 . 1 1 59 59 ILE CA C 13 64.86 . . 1 . . . . . . . . 5175 1 592 . 1 1 59 59 ILE CB C 13 36.77 . . 1 . . . . . . . . 5175 1 593 . 1 1 60 60 GLN H H 1 8.76 . . 1 . . . . . . . . 5175 1 594 . 1 1 60 60 GLN HA H 1 3.89 . . 1 . . . . . . . . 5175 1 595 . 1 1 60 60 GLN HB2 H 1 2.06 . . 1 . . . . . . . . 5175 1 596 . 1 1 60 60 GLN HB3 H 1 2.06 . . 1 . . . . . . . . 5175 1 597 . 1 1 60 60 GLN HG2 H 1 2.46 . . 2 . . . . . . . . 5175 1 598 . 1 1 60 60 GLN HG3 H 1 2.19 . . 2 . . . . . . . . 5175 1 599 . 1 1 60 60 GLN N N 15 117.64 . . 1 . . . . . . . . 5175 1 600 . 1 1 60 60 GLN CA C 13 58.68 . . 1 . . . . . . . . 5175 1 601 . 1 1 60 60 GLN CB C 13 26.86 . . 1 . . . . . . . . 5175 1 602 . 1 1 61 61 GLY H H 1 8.00 . . 1 . . . . . . . . 5175 1 603 . 1 1 61 61 GLY HA2 H 1 3.93 . . 1 . . . . . . . . 5175 1 604 . 1 1 61 61 GLY HA3 H 1 3.93 . . 1 . . . . . . . . 5175 1 605 . 1 1 61 61 GLY N N 15 105.99 . . 1 . . . . . . . . 5175 1 606 . 1 1 61 61 GLY CA C 13 45.91 . . 1 . . . . . . . . 5175 1 607 . 1 1 62 62 LEU H H 1 7.78 . . 1 . . . . . . . . 5175 1 608 . 1 1 62 62 LEU HA H 1 4.31 . . 1 . . . . . . . . 5175 1 609 . 1 1 62 62 LEU HB2 H 1 2.24 . . 2 . . . . . . . . 5175 1 610 . 1 1 62 62 LEU HB3 H 1 1.51 . . 2 . . . . . . . . 5175 1 611 . 1 1 62 62 LEU HG H 1 2.06 . . 1 . . . . . . . . 5175 1 612 . 1 1 62 62 LEU HD11 H 1 1.06 . . 1 . . . . . . . . 5175 1 613 . 1 1 62 62 LEU HD12 H 1 1.06 . . 1 . . . . . . . . 5175 1 614 . 1 1 62 62 LEU HD13 H 1 1.06 . . 1 . . . . . . . . 5175 1 615 . 1 1 62 62 LEU HD21 H 1 1.06 . . 1 . . . . . . . . 5175 1 616 . 1 1 62 62 LEU HD22 H 1 1.06 . . 1 . . . . . . . . 5175 1 617 . 1 1 62 62 LEU HD23 H 1 1.06 . . 1 . . . . . . . . 5175 1 618 . 1 1 62 62 LEU N N 15 121.93 . . 1 . . . . . . . . 5175 1 619 . 1 1 62 62 LEU CA C 13 56.16 . . 1 . . . . . . . . 5175 1 620 . 1 1 62 62 LEU CB C 13 41.07 . . 1 . . . . . . . . 5175 1 621 . 1 1 63 63 LEU H H 1 7.43 . . 1 . . . . . . . . 5175 1 622 . 1 1 63 63 LEU HA H 1 4.81 . . 1 . . . . . . . . 5175 1 623 . 1 1 63 63 LEU HB2 H 1 2.02 . . 2 . . . . . . . . 5175 1 624 . 1 1 63 63 LEU HB3 H 1 1.78 . . 2 . . . . . . . . 5175 1 625 . 1 1 63 63 LEU HG H 1 2.07 . . 1 . . . . . . . . 5175 1 626 . 1 1 63 63 LEU HD11 H 1 0.90 . . 1 . . . . . . . . 5175 1 627 . 1 1 63 63 LEU HD12 H 1 0.90 . . 1 . . . . . . . . 5175 1 628 . 1 1 63 63 LEU HD13 H 1 0.90 . . 1 . . . . . . . . 5175 1 629 . 1 1 63 63 LEU HD21 H 1 0.98 . . 1 . . . . . . . . 5175 1 630 . 1 1 63 63 LEU HD22 H 1 0.98 . . 1 . . . . . . . . 5175 1 631 . 1 1 63 63 LEU HD23 H 1 0.98 . . 1 . . . . . . . . 5175 1 632 . 1 1 63 63 LEU N N 15 117.00 . . 1 . . . . . . . . 5175 1 633 . 1 1 63 63 LEU CA C 13 52.75 . . 1 . . . . . . . . 5175 1 634 . 1 1 63 63 LEU CB C 13 40.52 . . 1 . . . . . . . . 5175 1 635 . 1 1 64 64 LYS H H 1 7.27 . . 1 . . . . . . . . 5175 1 636 . 1 1 64 64 LYS HA H 1 4.18 . . 1 . . . . . . . . 5175 1 637 . 1 1 64 64 LYS HB2 H 1 2.05 . . 2 . . . . . . . . 5175 1 638 . 1 1 64 64 LYS HB3 H 1 2.03 . . 2 . . . . . . . . 5175 1 639 . 1 1 64 64 LYS HE2 H 1 3.18 . . 1 . . . . . . . . 5175 1 640 . 1 1 64 64 LYS HE3 H 1 3.18 . . 1 . . . . . . . . 5175 1 641 . 1 1 64 64 LYS N N 15 121.51 . . 1 . . . . . . . . 5175 1 642 . 1 1 64 64 LYS CA C 13 58.50 . . 1 . . . . . . . . 5175 1 643 . 1 1 64 64 LYS CB C 13 30.67 . . 1 . . . . . . . . 5175 1 644 . 1 1 65 65 SER H H 1 8.43 . . 1 . . . . . . . . 5175 1 645 . 1 1 65 65 SER HA H 1 4.56 . . 1 . . . . . . . . 5175 1 646 . 1 1 65 65 SER HB2 H 1 4.17 . . 2 . . . . . . . . 5175 1 647 . 1 1 65 65 SER HB3 H 1 4.07 . . 2 . . . . . . . . 5175 1 648 . 1 1 65 65 SER N N 15 111.96 . . 1 . . . . . . . . 5175 1 649 . 1 1 65 65 SER CA C 13 56.75 . . 1 . . . . . . . . 5175 1 650 . 1 1 65 65 SER CB C 13 62.72 . . 1 . . . . . . . . 5175 1 651 . 1 1 66 66 CYS H H 1 8.12 . . 1 . . . . . . . . 5175 1 652 . 1 1 66 66 CYS HA H 1 3.74 . . 1 . . . . . . . . 5175 1 653 . 1 1 66 66 CYS HB2 H 1 3.14 . . 2 . . . . . . . . 5175 1 654 . 1 1 66 66 CYS HB3 H 1 2.61 . . 2 . . . . . . . . 5175 1 655 . 1 1 66 66 CYS N N 15 124.49 . . 1 . . . . . . . . 5175 1 656 . 1 1 66 66 CYS CA C 13 60.02 . . 1 . . . . . . . . 5175 1 657 . 1 1 66 66 CYS CB C 13 25.89 . . 1 . . . . . . . . 5175 1 658 . 1 1 67 67 THR H H 1 8.91 . . 1 . . . . . . . . 5175 1 659 . 1 1 67 67 THR HA H 1 4.41 . . 1 . . . . . . . . 5175 1 660 . 1 1 67 67 THR HB H 1 4.10 . . 1 . . . . . . . . 5175 1 661 . 1 1 67 67 THR HG21 H 1 1.17 . . 1 . . . . . . . . 5175 1 662 . 1 1 67 67 THR HG22 H 1 1.17 . . 1 . . . . . . . . 5175 1 663 . 1 1 67 67 THR HG23 H 1 1.17 . . 1 . . . . . . . . 5175 1 664 . 1 1 67 67 THR N N 15 120.37 . . 1 . . . . . . . . 5175 1 665 . 1 1 67 67 THR CA C 13 61.66 . . 1 . . . . . . . . 5175 1 666 . 1 1 67 67 THR CB C 13 67.90 . . 1 . . . . . . . . 5175 1 667 . 1 1 68 68 ASN H H 1 7.75 . . 1 . . . . . . . . 5175 1 668 . 1 1 68 68 ASN HA H 1 5.24 . . 1 . . . . . . . . 5175 1 669 . 1 1 68 68 ASN HB2 H 1 2.75 . . 1 . . . . . . . . 5175 1 670 . 1 1 68 68 ASN HB3 H 1 2.34 . . 1 . . . . . . . . 5175 1 671 . 1 1 68 68 ASN N N 15 122.59 . . 1 . . . . . . . . 5175 1 672 . 1 1 68 68 ASN CA C 13 50.34 . . 1 . . . . . . . . 5175 1 673 . 1 1 68 68 ASN CB C 13 38.90 . . 1 . . . . . . . . 5175 1 674 . 1 1 69 69 PRO HA H 1 4.51 . . 1 . . . . . . . . 5175 1 675 . 1 1 69 69 PRO HB2 H 1 2.55 . . 2 . . . . . . . . 5175 1 676 . 1 1 69 69 PRO HB3 H 1 2.04 . . 2 . . . . . . . . 5175 1 677 . 1 1 69 69 PRO HG2 H 1 2.19 . . 2 . . . . . . . . 5175 1 678 . 1 1 69 69 PRO HG3 H 1 2.08 . . 2 . . . . . . . . 5175 1 679 . 1 1 69 69 PRO HD2 H 1 3.66 . . 1 . . . . . . . . 5175 1 680 . 1 1 69 69 PRO HD3 H 1 3.66 . . 1 . . . . . . . . 5175 1 681 . 1 1 69 69 PRO CA C 13 60.93 . . 1 . . . . . . . . 5175 1 682 . 1 1 69 69 PRO CB C 13 30.42 . . 1 . . . . . . . . 5175 1 683 . 1 1 70 70 THR H H 1 8.48 . . 1 . . . . . . . . 5175 1 684 . 1 1 70 70 THR HA H 1 4.49 . . 1 . . . . . . . . 5175 1 685 . 1 1 70 70 THR HB H 1 4.59 . . 1 . . . . . . . . 5175 1 686 . 1 1 70 70 THR HG21 H 1 1.37 . . 1 . . . . . . . . 5175 1 687 . 1 1 70 70 THR HG22 H 1 1.37 . . 1 . . . . . . . . 5175 1 688 . 1 1 70 70 THR HG23 H 1 1.37 . . 1 . . . . . . . . 5175 1 689 . 1 1 70 70 THR N N 15 112.59 . . 1 . . . . . . . . 5175 1 690 . 1 1 70 70 THR CA C 13 61.00 . . 1 . . . . . . . . 5175 1 691 . 1 1 70 70 THR CB C 13 70.27 . . 1 . . . . . . . . 5175 1 692 . 1 1 71 71 GLU H H 1 8.59 . . 1 . . . . . . . . 5175 1 693 . 1 1 71 71 GLU HA H 1 3.99 . . 1 . . . . . . . . 5175 1 694 . 1 1 71 71 GLU HB2 H 1 2.16 . . 2 . . . . . . . . 5175 1 695 . 1 1 71 71 GLU HB3 H 1 2.02 . . 2 . . . . . . . . 5175 1 696 . 1 1 71 71 GLU HG2 H 1 2.41 . . 2 . . . . . . . . 5175 1 697 . 1 1 71 71 GLU HG3 H 1 2.35 . . 2 . . . . . . . . 5175 1 698 . 1 1 71 71 GLU N N 15 124.08 . . 1 . . . . . . . . 5175 1 699 . 1 1 71 71 GLU CA C 13 60.40 . . 1 . . . . . . . . 5175 1 700 . 1 1 71 71 GLU CB C 13 27.23 . . 1 . . . . . . . . 5175 1 701 . 1 1 72 72 ASN H H 1 8.76 . . 1 . . . . . . . . 5175 1 702 . 1 1 72 72 ASN HA H 1 4.55 . . 1 . . . . . . . . 5175 1 703 . 1 1 72 72 ASN HB2 H 1 2.87 . . 1 . . . . . . . . 5175 1 704 . 1 1 72 72 ASN HB3 H 1 2.87 . . 1 . . . . . . . . 5175 1 705 . 1 1 72 72 ASN N N 15 117.60 . . 1 . . . . . . . . 5175 1 706 . 1 1 72 72 ASN CA C 13 55.55 . . 1 . . . . . . . . 5175 1 707 . 1 1 72 72 ASN CB C 13 36.53 . . 1 . . . . . . . . 5175 1 708 . 1 1 73 73 PHE H H 1 8.06 . . 1 . . . . . . . . 5175 1 709 . 1 1 73 73 PHE HA H 1 4.51 . . 1 . . . . . . . . 5175 1 710 . 1 1 73 73 PHE HB2 H 1 3.37 . . 2 . . . . . . . . 5175 1 711 . 1 1 73 73 PHE HB3 H 1 3.07 . . 2 . . . . . . . . 5175 1 712 . 1 1 73 73 PHE HD1 H 1 7.23 . . 1 . . . . . . . . 5175 1 713 . 1 1 73 73 PHE HD2 H 1 7.23 . . 1 . . . . . . . . 5175 1 714 . 1 1 73 73 PHE HE1 H 1 6.54 . . 1 . . . . . . . . 5175 1 715 . 1 1 73 73 PHE HE2 H 1 6.54 . . 1 . . . . . . . . 5175 1 716 . 1 1 73 73 PHE N N 15 121.67 . . 1 . . . . . . . . 5175 1 717 . 1 1 73 73 PHE CA C 13 60.23 . . 1 . . . . . . . . 5175 1 718 . 1 1 73 73 PHE CB C 13 38.00 . . 1 . . . . . . . . 5175 1 719 . 1 1 74 74 VAL H H 1 8.39 . . 1 . . . . . . . . 5175 1 720 . 1 1 74 74 VAL HA H 1 3.12 . . 1 . . . . . . . . 5175 1 721 . 1 1 74 74 VAL HB H 1 2.20 . . 1 . . . . . . . . 5175 1 722 . 1 1 74 74 VAL HG11 H 1 1.12 . . 1 . . . . . . . . 5175 1 723 . 1 1 74 74 VAL HG12 H 1 1.12 . . 1 . . . . . . . . 5175 1 724 . 1 1 74 74 VAL HG13 H 1 1.12 . . 1 . . . . . . . . 5175 1 725 . 1 1 74 74 VAL HG21 H 1 0.94 . . 1 . . . . . . . . 5175 1 726 . 1 1 74 74 VAL HG22 H 1 0.94 . . 1 . . . . . . . . 5175 1 727 . 1 1 74 74 VAL HG23 H 1 0.94 . . 1 . . . . . . . . 5175 1 728 . 1 1 74 74 VAL N N 15 118.36 . . 1 . . . . . . . . 5175 1 729 . 1 1 74 74 VAL CA C 13 67.06 . . 1 . . . . . . . . 5175 1 730 . 1 1 74 74 VAL CB C 13 30.61 . . 1 . . . . . . . . 5175 1 731 . 1 1 75 75 GLN H H 1 7.92 . . 1 . . . . . . . . 5175 1 732 . 1 1 75 75 GLN HA H 1 3.93 . . 1 . . . . . . . . 5175 1 733 . 1 1 75 75 GLN HB2 H 1 2.19 . . 1 . . . . . . . . 5175 1 734 . 1 1 75 75 GLN HB3 H 1 2.19 . . 1 . . . . . . . . 5175 1 735 . 1 1 75 75 GLN HG2 H 1 2.51 . . 1 . . . . . . . . 5175 1 736 . 1 1 75 75 GLN HG3 H 1 2.51 . . 1 . . . . . . . . 5175 1 737 . 1 1 75 75 GLN N N 15 115.69 . . 1 . . . . . . . . 5175 1 738 . 1 1 75 75 GLN CA C 13 58.10 . . 1 . . . . . . . . 5175 1 739 . 1 1 75 75 GLN CB C 13 26.54 . . 1 . . . . . . . . 5175 1 740 . 1 1 76 76 GLU H H 1 8.34 . . 1 . . . . . . . . 5175 1 741 . 1 1 76 76 GLU HA H 1 3.94 . . 1 . . . . . . . . 5175 1 742 . 1 1 76 76 GLU HB2 H 1 2.41 . . 2 . . . . . . . . 5175 1 743 . 1 1 76 76 GLU HB3 H 1 2.07 . . 2 . . . . . . . . 5175 1 744 . 1 1 76 76 GLU HG2 H 1 2.15 . . 1 . . . . . . . . 5175 1 745 . 1 1 76 76 GLU HG3 H 1 2.15 . . 1 . . . . . . . . 5175 1 746 . 1 1 76 76 GLU N N 15 118.69 . . 1 . . . . . . . . 5175 1 747 . 1 1 76 76 GLU CA C 13 58.29 . . 1 . . . . . . . . 5175 1 748 . 1 1 76 76 GLU CB C 13 28.29 . . 1 . . . . . . . . 5175 1 749 . 1 1 77 77 LEU H H 1 8.83 . . 1 . . . . . . . . 5175 1 750 . 1 1 77 77 LEU HA H 1 3.88 . . 1 . . . . . . . . 5175 1 751 . 1 1 77 77 LEU HB2 H 1 1.84 . . 2 . . . . . . . . 5175 1 752 . 1 1 77 77 LEU HB3 H 1 1.19 . . 2 . . . . . . . . 5175 1 753 . 1 1 77 77 LEU HG H 1 1.40 . . 1 . . . . . . . . 5175 1 754 . 1 1 77 77 LEU HD11 H 1 0.80 . . 1 . . . . . . . . 5175 1 755 . 1 1 77 77 LEU HD12 H 1 0.80 . . 1 . . . . . . . . 5175 1 756 . 1 1 77 77 LEU HD13 H 1 0.80 . . 1 . . . . . . . . 5175 1 757 . 1 1 77 77 LEU HD21 H 1 0.99 . . 1 . . . . . . . . 5175 1 758 . 1 1 77 77 LEU HD22 H 1 0.99 . . 1 . . . . . . . . 5175 1 759 . 1 1 77 77 LEU HD23 H 1 0.99 . . 1 . . . . . . . . 5175 1 760 . 1 1 77 77 LEU N N 15 122.51 . . 1 . . . . . . . . 5175 1 761 . 1 1 77 77 LEU CA C 13 56.86 . . 1 . . . . . . . . 5175 1 762 . 1 1 77 77 LEU CB C 13 38.39 . . 1 . . . . . . . . 5175 1 763 . 1 1 78 78 LEU H H 1 8.32 . . 1 . . . . . . . . 5175 1 764 . 1 1 78 78 LEU HA H 1 3.85 . . 1 . . . . . . . . 5175 1 765 . 1 1 78 78 LEU HB2 H 1 1.97 . . 2 . . . . . . . . 5175 1 766 . 1 1 78 78 LEU HB3 H 1 1.48 . . 2 . . . . . . . . 5175 1 767 . 1 1 78 78 LEU HG H 1 1.94 . . 1 . . . . . . . . 5175 1 768 . 1 1 78 78 LEU HD11 H 1 0.75 . . 1 . . . . . . . . 5175 1 769 . 1 1 78 78 LEU HD12 H 1 0.75 . . 1 . . . . . . . . 5175 1 770 . 1 1 78 78 LEU HD13 H 1 0.75 . . 1 . . . . . . . . 5175 1 771 . 1 1 78 78 LEU HD21 H 1 0.83 . . 1 . . . . . . . . 5175 1 772 . 1 1 78 78 LEU HD22 H 1 0.83 . . 1 . . . . . . . . 5175 1 773 . 1 1 78 78 LEU HD23 H 1 0.83 . . 1 . . . . . . . . 5175 1 774 . 1 1 78 78 LEU N N 15 118.97 . . 1 . . . . . . . . 5175 1 775 . 1 1 78 78 LEU CA C 13 56.83 . . 1 . . . . . . . . 5175 1 776 . 1 1 78 78 LEU CB C 13 39.53 . . 1 . . . . . . . . 5175 1 777 . 1 1 79 79 VAL H H 1 7.33 . . 1 . . . . . . . . 5175 1 778 . 1 1 79 79 VAL HA H 1 3.42 . . 1 . . . . . . . . 5175 1 779 . 1 1 79 79 VAL HB H 1 2.10 . . 1 . . . . . . . . 5175 1 780 . 1 1 79 79 VAL HG11 H 1 1.04 . . 1 . . . . . . . . 5175 1 781 . 1 1 79 79 VAL HG12 H 1 1.04 . . 1 . . . . . . . . 5175 1 782 . 1 1 79 79 VAL HG13 H 1 1.04 . . 1 . . . . . . . . 5175 1 783 . 1 1 79 79 VAL HG21 H 1 0.83 . . 1 . . . . . . . . 5175 1 784 . 1 1 79 79 VAL HG22 H 1 0.83 . . 1 . . . . . . . . 5175 1 785 . 1 1 79 79 VAL HG23 H 1 0.83 . . 1 . . . . . . . . 5175 1 786 . 1 1 79 79 VAL N N 15 118.55 . . 1 . . . . . . . . 5175 1 787 . 1 1 79 79 VAL CA C 13 66.16 . . 1 . . . . . . . . 5175 1 788 . 1 1 79 79 VAL CB C 13 30.01 . . 1 . . . . . . . . 5175 1 789 . 1 1 80 80 LYS H H 1 7.87 . . 1 . . . . . . . . 5175 1 790 . 1 1 80 80 LYS HA H 1 3.83 . . 1 . . . . . . . . 5175 1 791 . 1 1 80 80 LYS HB2 H 1 1.74 . . 2 . . . . . . . . 5175 1 792 . 1 1 80 80 LYS HB3 H 1 1.64 . . 2 . . . . . . . . 5175 1 793 . 1 1 80 80 LYS HG2 H 1 1.01 . . 2 . . . . . . . . 5175 1 794 . 1 1 80 80 LYS HG3 H 1 0.31 . . 2 . . . . . . . . 5175 1 795 . 1 1 80 80 LYS HD2 H 1 1.08 . . 2 . . . . . . . . 5175 1 796 . 1 1 80 80 LYS HD3 H 1 0.95 . . 2 . . . . . . . . 5175 1 797 . 1 1 80 80 LYS N N 15 121.02 . . 1 . . . . . . . . 5175 1 798 . 1 1 80 80 LYS CA C 13 58.96 . . 1 . . . . . . . . 5175 1 799 . 1 1 80 80 LYS CB C 13 31.06 . . 1 . . . . . . . . 5175 1 800 . 1 1 81 81 LEU H H 1 8.51 . . 1 . . . . . . . . 5175 1 801 . 1 1 81 81 LEU HA H 1 3.93 . . 1 . . . . . . . . 5175 1 802 . 1 1 81 81 LEU HB2 H 1 1.93 . . 2 . . . . . . . . 5175 1 803 . 1 1 81 81 LEU HB3 H 1 1.33 . . 2 . . . . . . . . 5175 1 804 . 1 1 81 81 LEU HG H 1 1.99 . . 1 . . . . . . . . 5175 1 805 . 1 1 81 81 LEU HD11 H 1 0.78 . . 1 . . . . . . . . 5175 1 806 . 1 1 81 81 LEU HD12 H 1 0.78 . . 1 . . . . . . . . 5175 1 807 . 1 1 81 81 LEU HD13 H 1 0.78 . . 1 . . . . . . . . 5175 1 808 . 1 1 81 81 LEU HD21 H 1 0.78 . . 1 . . . . . . . . 5175 1 809 . 1 1 81 81 LEU HD22 H 1 0.78 . . 1 . . . . . . . . 5175 1 810 . 1 1 81 81 LEU HD23 H 1 0.78 . . 1 . . . . . . . . 5175 1 811 . 1 1 81 81 LEU N N 15 117.66 . . 1 . . . . . . . . 5175 1 812 . 1 1 81 81 LEU CA C 13 56.43 . . 1 . . . . . . . . 5175 1 813 . 1 1 81 81 LEU CB C 13 40.05 . . 1 . . . . . . . . 5175 1 814 . 1 1 82 82 ARG H H 1 7.43 . . 1 . . . . . . . . 5175 1 815 . 1 1 82 82 ARG HA H 1 4.79 . . 1 . . . . . . . . 5175 1 816 . 1 1 82 82 ARG HB2 H 1 1.73 . . 1 . . . . . . . . 5175 1 817 . 1 1 82 82 ARG HB3 H 1 1.73 . . 1 . . . . . . . . 5175 1 818 . 1 1 82 82 ARG N N 15 117.78 . . 1 . . . . . . . . 5175 1 819 . 1 1 82 82 ARG CA C 13 57.15 . . 1 . . . . . . . . 5175 1 820 . 1 1 82 82 ARG CB C 13 28.24 . . 1 . . . . . . . . 5175 1 821 . 1 1 83 83 GLY H H 1 7.48 . . 1 . . . . . . . . 5175 1 822 . 1 1 83 83 GLY HA2 H 1 4.15 . . 2 . . . . . . . . 5175 1 823 . 1 1 83 83 GLY HA3 H 1 3.77 . . 2 . . . . . . . . 5175 1 824 . 1 1 83 83 GLY N N 15 104.55 . . 1 . . . . . . . . 5175 1 825 . 1 1 83 83 GLY CA C 13 43.84 . . 1 . . . . . . . . 5175 1 826 . 1 1 84 84 LEU H H 1 7.26 . . 1 . . . . . . . . 5175 1 827 . 1 1 84 84 LEU HA H 1 4.52 . . 1 . . . . . . . . 5175 1 828 . 1 1 84 84 LEU HB2 H 1 1.93 . . 2 . . . . . . . . 5175 1 829 . 1 1 84 84 LEU HB3 H 1 1.54 . . 2 . . . . . . . . 5175 1 830 . 1 1 84 84 LEU HG H 1 1.85 . . 1 . . . . . . . . 5175 1 831 . 1 1 84 84 LEU HD11 H 1 0.76 . . 1 . . . . . . . . 5175 1 832 . 1 1 84 84 LEU HD12 H 1 0.76 . . 1 . . . . . . . . 5175 1 833 . 1 1 84 84 LEU HD13 H 1 0.76 . . 1 . . . . . . . . 5175 1 834 . 1 1 84 84 LEU HD21 H 1 0.90 . . 1 . . . . . . . . 5175 1 835 . 1 1 84 84 LEU HD22 H 1 0.90 . . 1 . . . . . . . . 5175 1 836 . 1 1 84 84 LEU HD23 H 1 0.90 . . 1 . . . . . . . . 5175 1 837 . 1 1 84 84 LEU N N 15 120.08 . . 1 . . . . . . . . 5175 1 838 . 1 1 84 84 LEU CA C 13 53.07 . . 1 . . . . . . . . 5175 1 839 . 1 1 84 84 LEU CB C 13 41.38 . . 1 . . . . . . . . 5175 1 840 . 1 1 85 85 HIS H H 1 8.54 . . 1 . . . . . . . . 5175 1 841 . 1 1 85 85 HIS HA H 1 4.64 . . 1 . . . . . . . . 5175 1 842 . 1 1 85 85 HIS HB2 H 1 3.18 . . 2 . . . . . . . . 5175 1 843 . 1 1 85 85 HIS HB3 H 1 3.06 . . 2 . . . . . . . . 5175 1 844 . 1 1 85 85 HIS N N 15 118.82 . . 1 . . . . . . . . 5175 1 845 . 1 1 85 85 HIS CA C 13 54.58 . . 1 . . . . . . . . 5175 1 846 . 1 1 85 85 HIS CB C 13 29.03 . . 1 . . . . . . . . 5175 1 847 . 1 1 86 86 LYS H H 1 8.19 . . 1 . . . . . . . . 5175 1 848 . 1 1 86 86 LYS HA H 1 4.10 . . 1 . . . . . . . . 5175 1 849 . 1 1 86 86 LYS HB2 H 1 1.73 . . 1 . . . . . . . . 5175 1 850 . 1 1 86 86 LYS HB3 H 1 1.73 . . 1 . . . . . . . . 5175 1 851 . 1 1 86 86 LYS HG2 H 1 1.66 . . 2 . . . . . . . . 5175 1 852 . 1 1 86 86 LYS HG3 H 1 1.39 . . 2 . . . . . . . . 5175 1 853 . 1 1 86 86 LYS N N 15 128.61 . . 1 . . . . . . . . 5175 1 854 . 1 1 86 86 LYS CA C 13 57.28 . . 1 . . . . . . . . 5175 1 855 . 1 1 86 86 LYS CB C 13 31.72 . . 1 . . . . . . . . 5175 1 stop_ save_