data_34046 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34046 _Entry.Title ; NMR structure of the C-terminal domain of the Bacteriophage T5 decoration protein pb10 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-09-22 _Entry.Accession_date 2016-09-22 _Entry.Last_release_date 2016-09-22 _Entry.Original_release_date 2016-09-22 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1.2.6 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 E. Vernhes E. . . . 34046 2 B. Gilquin B. . . . 34046 3 P. Cuniasse P. . . . 34046 4 P. Boulanger P. . . . 34046 5 S. Zinn-justin S. . . . 34046 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Bacteriophage T5 Decoration Protein' . 34046 'Viral protein' . 34046 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34046 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 381 34046 '15N chemical shifts' 91 34046 '1H chemical shifts' 581 34046 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 . . 2017-07-26 . original BMRB . 34046 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5LXK 'BMRB Entry Tracking System' 34046 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34046 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1038/srep41662 _Citation.PubMed_ID 28165000 _Citation.Full_citation . _Citation.Title ; High affinity anchoring of the decoration protein pb10 onto the bacteriophage T5 capsid ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Rep.' _Citation.Journal_name_full 'Scientific reports' _Citation.Journal_volume 7 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 2045-2322 _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 41662 _Citation.Page_last 41662 _Citation.Year 2017 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Emeline Vernhes E. . . . 34046 1 2 Madalena Renouard M. . . . 34046 1 3 Bernard Gilquin B. . . . 34046 1 4 Philippe Cuniasse P. . . . 34046 1 5 Dominique Durand D. . . . 34046 1 6 Patrick England P. . . . 34046 1 7 Sylviane Hoos S. . . . 34046 1 8 Alexis Huet A. . . . 34046 1 9 James Conway J. F. . . 34046 1 10 Anatoly Glukhov A. . . . 34046 1 11 Vladimir Ksenzenko V. . . . 34046 1 12 Eric Jacquet E. . . . 34046 1 13 Naima Nhiri N. . . . 34046 1 14 Sophie Zinn-Justin S. . . . 34046 1 15 Pascale Boulanger P. . . . 34046 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34046 _Assembly.ID 1 _Assembly.Name 'Decoration protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 34046 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34046 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Decoration protein' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; ALTLSKDLTASMSVEEGAAL TLSVTATGGTGPYTYAWTKD GSPIPDASGATYTKPTAAAE DAGSYKVTVTDSKQVSKDST TCAVTVNPTVPGGLEHHHHH H ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 101 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'C-terminal domain, UNP residues 73-164' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10339.291 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Capsid protein pb10' na 34046 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 72 ALA . 34046 1 2 73 LEU . 34046 1 3 74 THR . 34046 1 4 75 LEU . 34046 1 5 76 SER . 34046 1 6 77 LYS . 34046 1 7 78 ASP . 34046 1 8 79 LEU . 34046 1 9 80 THR . 34046 1 10 81 ALA . 34046 1 11 82 SER . 34046 1 12 83 MET . 34046 1 13 84 SER . 34046 1 14 85 VAL . 34046 1 15 86 GLU . 34046 1 16 87 GLU . 34046 1 17 88 GLY . 34046 1 18 89 ALA . 34046 1 19 90 ALA . 34046 1 20 91 LEU . 34046 1 21 92 THR . 34046 1 22 93 LEU . 34046 1 23 94 SER . 34046 1 24 95 VAL . 34046 1 25 96 THR . 34046 1 26 97 ALA . 34046 1 27 98 THR . 34046 1 28 99 GLY . 34046 1 29 100 GLY . 34046 1 30 101 THR . 34046 1 31 102 GLY . 34046 1 32 103 PRO . 34046 1 33 104 TYR . 34046 1 34 105 THR . 34046 1 35 106 TYR . 34046 1 36 107 ALA . 34046 1 37 108 TRP . 34046 1 38 109 THR . 34046 1 39 110 LYS . 34046 1 40 111 ASP . 34046 1 41 112 GLY . 34046 1 42 113 SER . 34046 1 43 114 PRO . 34046 1 44 115 ILE . 34046 1 45 116 PRO . 34046 1 46 117 ASP . 34046 1 47 118 ALA . 34046 1 48 119 SER . 34046 1 49 120 GLY . 34046 1 50 121 ALA . 34046 1 51 122 THR . 34046 1 52 123 TYR . 34046 1 53 124 THR . 34046 1 54 125 LYS . 34046 1 55 126 PRO . 34046 1 56 127 THR . 34046 1 57 128 ALA . 34046 1 58 129 ALA . 34046 1 59 130 ALA . 34046 1 60 131 GLU . 34046 1 61 132 ASP . 34046 1 62 133 ALA . 34046 1 63 134 GLY . 34046 1 64 135 SER . 34046 1 65 136 TYR . 34046 1 66 137 LYS . 34046 1 67 138 VAL . 34046 1 68 139 THR . 34046 1 69 140 VAL . 34046 1 70 141 THR . 34046 1 71 142 ASP . 34046 1 72 143 SER . 34046 1 73 144 LYS . 34046 1 74 145 GLN . 34046 1 75 146 VAL . 34046 1 76 147 SER . 34046 1 77 148 LYS . 34046 1 78 149 ASP . 34046 1 79 150 SER . 34046 1 80 151 THR . 34046 1 81 152 THR . 34046 1 82 153 CYS . 34046 1 83 154 ALA . 34046 1 84 155 VAL . 34046 1 85 156 THR . 34046 1 86 157 VAL . 34046 1 87 158 ASN . 34046 1 88 159 PRO . 34046 1 89 160 THR . 34046 1 90 161 VAL . 34046 1 91 162 PRO . 34046 1 92 163 GLY . 34046 1 93 164 GLY . 34046 1 94 165 LEU . 34046 1 95 166 GLU . 34046 1 96 167 HIS . 34046 1 97 168 HIS . 34046 1 98 169 HIS . 34046 1 99 170 HIS . 34046 1 100 171 HIS . 34046 1 101 172 HIS . 34046 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 34046 1 . LEU 2 2 34046 1 . THR 3 3 34046 1 . LEU 4 4 34046 1 . SER 5 5 34046 1 . LYS 6 6 34046 1 . ASP 7 7 34046 1 . LEU 8 8 34046 1 . THR 9 9 34046 1 . ALA 10 10 34046 1 . SER 11 11 34046 1 . MET 12 12 34046 1 . SER 13 13 34046 1 . VAL 14 14 34046 1 . GLU 15 15 34046 1 . GLU 16 16 34046 1 . GLY 17 17 34046 1 . ALA 18 18 34046 1 . ALA 19 19 34046 1 . LEU 20 20 34046 1 . THR 21 21 34046 1 . LEU 22 22 34046 1 . SER 23 23 34046 1 . VAL 24 24 34046 1 . THR 25 25 34046 1 . ALA 26 26 34046 1 . THR 27 27 34046 1 . GLY 28 28 34046 1 . GLY 29 29 34046 1 . THR 30 30 34046 1 . GLY 31 31 34046 1 . PRO 32 32 34046 1 . TYR 33 33 34046 1 . THR 34 34 34046 1 . TYR 35 35 34046 1 . ALA 36 36 34046 1 . TRP 37 37 34046 1 . THR 38 38 34046 1 . LYS 39 39 34046 1 . ASP 40 40 34046 1 . GLY 41 41 34046 1 . SER 42 42 34046 1 . PRO 43 43 34046 1 . ILE 44 44 34046 1 . PRO 45 45 34046 1 . ASP 46 46 34046 1 . ALA 47 47 34046 1 . SER 48 48 34046 1 . GLY 49 49 34046 1 . ALA 50 50 34046 1 . THR 51 51 34046 1 . TYR 52 52 34046 1 . THR 53 53 34046 1 . LYS 54 54 34046 1 . PRO 55 55 34046 1 . THR 56 56 34046 1 . ALA 57 57 34046 1 . ALA 58 58 34046 1 . ALA 59 59 34046 1 . GLU 60 60 34046 1 . ASP 61 61 34046 1 . ALA 62 62 34046 1 . GLY 63 63 34046 1 . SER 64 64 34046 1 . TYR 65 65 34046 1 . LYS 66 66 34046 1 . VAL 67 67 34046 1 . THR 68 68 34046 1 . VAL 69 69 34046 1 . THR 70 70 34046 1 . ASP 71 71 34046 1 . SER 72 72 34046 1 . LYS 73 73 34046 1 . GLN 74 74 34046 1 . VAL 75 75 34046 1 . SER 76 76 34046 1 . LYS 77 77 34046 1 . ASP 78 78 34046 1 . SER 79 79 34046 1 . THR 80 80 34046 1 . THR 81 81 34046 1 . CYS 82 82 34046 1 . ALA 83 83 34046 1 . VAL 84 84 34046 1 . THR 85 85 34046 1 . VAL 86 86 34046 1 . ASN 87 87 34046 1 . PRO 88 88 34046 1 . THR 89 89 34046 1 . VAL 90 90 34046 1 . PRO 91 91 34046 1 . GLY 92 92 34046 1 . GLY 93 93 34046 1 . LEU 94 94 34046 1 . GLU 95 95 34046 1 . HIS 96 96 34046 1 . HIS 97 97 34046 1 . HIS 98 98 34046 1 . HIS 99 99 34046 1 . HIS 100 100 34046 1 . HIS 101 101 34046 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 34046 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 10726 organism . 'Escherichia phage T5' viruses . . Viruses . T5likevirus 'Enterobacteria phage T5' . . . . . . . . . . . 'N5, T5.151, T5p147' . 34046 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 34046 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 34046 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34046 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '200 uM [U-99% 13C; U-99% 15N] c72, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 c72 '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 200 . . uM . . . . 34046 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 34046 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 34046 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 34046 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 25 . mM 34046 1 pH 7.2 . pH 34046 1 pressure 1 . atm 34046 1 temperature 293 . K 34046 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34046 _Software.ID 1 _Software.Name Analysis _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 34046 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 34046 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34046 _Software.ID 2 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 34046 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 34046 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34046 _Software.ID 3 _Software.Name CcpNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 34046 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 34046 3 'peak picking' 34046 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34046 _Software.ID 4 _Software.Name INCA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Savarin P., Zinn-Justin S., Gilquin B., 19,2001, J. Biomol NMR, pp. 49-62' . . 34046 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 34046 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34046 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX(600) _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 34046 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX(700) _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34046 _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) . 600 . . . 34046 1 2 NMR_spectrometer_2 Bruker DRX(700) . 700 . . . 34046 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 34046 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34046 1 2 '3D TOCSY-NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34046 1 3 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34046 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34046 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34046 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34046 1 7 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34046 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34046 1 9 '3D HN(COCA)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34046 1 10 '3D HN(CA)NNH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34046 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34046 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 34046 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34046 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 34046 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34046 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 34046 1 2 '3D TOCSY-NOESY' . . . 34046 1 3 '3D HNHA' . . . 34046 1 4 '3D CBCA(CO)NH' . . . 34046 1 5 '3D HNCACB' . . . 34046 1 6 '3D HNCO' . . . 34046 1 7 '3D HN(CA)CO' . . . 34046 1 8 '3D HBHA(CO)NH' . . . 34046 1 9 '3D HN(COCA)' . . . 34046 1 10 '3D HN(CA)NNH' . . . 34046 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 34046 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 HA H 1 3.831 0.000 . 1 . . . A 72 ALA HA . 34046 1 2 . 1 1 1 1 ALA HB1 H 1 1.274 0.000 . 1 . . . A 72 ALA HB1 . 34046 1 3 . 1 1 1 1 ALA HB2 H 1 1.274 0.000 . 1 . . . A 72 ALA HB2 . 34046 1 4 . 1 1 1 1 ALA HB3 H 1 1.274 0.000 . 1 . . . A 72 ALA HB3 . 34046 1 5 . 1 1 1 1 ALA CA C 13 51.359 0.000 . 1 . . . A 72 ALA CA . 34046 1 6 . 1 1 1 1 ALA CB C 13 20.264 0.000 . 1 . . . A 72 ALA CB . 34046 1 7 . 1 1 2 2 LEU HA H 1 4.313 0.000 . 1 . . . A 73 LEU HA . 34046 1 8 . 1 1 2 2 LEU HB2 H 1 1.024 0.000 . 2 . . . A 73 LEU HB2 . 34046 1 9 . 1 1 2 2 LEU HB3 H 1 1.419 0.000 . 2 . . . A 73 LEU HB3 . 34046 1 10 . 1 1 2 2 LEU HG H 1 0.987 0.000 . 1 . . . A 73 LEU HG . 34046 1 11 . 1 1 2 2 LEU HD11 H 1 0.471 0.000 . 2 . . . A 73 LEU HD11 . 34046 1 12 . 1 1 2 2 LEU HD12 H 1 0.471 0.000 . 2 . . . A 73 LEU HD12 . 34046 1 13 . 1 1 2 2 LEU HD13 H 1 0.471 0.000 . 2 . . . A 73 LEU HD13 . 34046 1 14 . 1 1 2 2 LEU HD21 H 1 0.491 0.000 . 2 . . . A 73 LEU HD21 . 34046 1 15 . 1 1 2 2 LEU HD22 H 1 0.491 0.000 . 2 . . . A 73 LEU HD22 . 34046 1 16 . 1 1 2 2 LEU HD23 H 1 0.491 0.000 . 2 . . . A 73 LEU HD23 . 34046 1 17 . 1 1 2 2 LEU C C 13 175.376 0.000 . 1 . . . A 73 LEU C . 34046 1 18 . 1 1 2 2 LEU CA C 13 55.816 0.000 . 1 . . . A 73 LEU CA . 34046 1 19 . 1 1 2 2 LEU CB C 13 42.567 0.000 . 1 . . . A 73 LEU CB . 34046 1 20 . 1 1 2 2 LEU CG C 13 27.276 0.000 . 1 . . . A 73 LEU CG . 34046 1 21 . 1 1 2 2 LEU CD1 C 13 26.427 0.000 . 2 . . . A 73 LEU CD1 . 34046 1 22 . 1 1 2 2 LEU CD2 C 13 26.256 0.000 . 2 . . . A 73 LEU CD2 . 34046 1 23 . 1 1 3 3 THR H H 1 8.946 0.000 . 1 . . . A 74 THR H . 34046 1 24 . 1 1 3 3 THR HA H 1 4.183 0.000 . 1 . . . A 74 THR HA . 34046 1 25 . 1 1 3 3 THR HB H 1 3.754 0.000 . 1 . . . A 74 THR HB . 34046 1 26 . 1 1 3 3 THR HG21 H 1 0.858 0.000 . 1 . . . A 74 THR HG21 . 34046 1 27 . 1 1 3 3 THR HG22 H 1 0.858 0.000 . 1 . . . A 74 THR HG22 . 34046 1 28 . 1 1 3 3 THR HG23 H 1 0.858 0.000 . 1 . . . A 74 THR HG23 . 34046 1 29 . 1 1 3 3 THR C C 13 171.834 0.000 . 1 . . . A 74 THR C . 34046 1 30 . 1 1 3 3 THR CA C 13 60.537 0.000 . 1 . . . A 74 THR CA . 34046 1 31 . 1 1 3 3 THR CB C 13 71.574 0.000 . 1 . . . A 74 THR CB . 34046 1 32 . 1 1 3 3 THR CG2 C 13 20.164 0.000 . 1 . . . A 74 THR CG2 . 34046 1 33 . 1 1 3 3 THR N N 15 120.817 0.000 . 1 . . . A 74 THR N . 34046 1 34 . 1 1 4 4 LEU H H 1 8.403 0.000 . 1 . . . A 75 LEU H . 34046 1 35 . 1 1 4 4 LEU HA H 1 4.987 0.000 . 1 . . . A 75 LEU HA . 34046 1 36 . 1 1 4 4 LEU HB2 H 1 1.543 0.000 . 2 . . . A 75 LEU HB2 . 34046 1 37 . 1 1 4 4 LEU HB3 H 1 1.099 0.000 . 2 . . . A 75 LEU HB3 . 34046 1 38 . 1 1 4 4 LEU HG H 1 1.246 0.000 . 1 . . . A 75 LEU HG . 34046 1 39 . 1 1 4 4 LEU HD11 H 1 0.500 0.000 . 2 . . . A 75 LEU HD11 . 34046 1 40 . 1 1 4 4 LEU HD12 H 1 0.500 0.000 . 2 . . . A 75 LEU HD12 . 34046 1 41 . 1 1 4 4 LEU HD13 H 1 0.500 0.000 . 2 . . . A 75 LEU HD13 . 34046 1 42 . 1 1 4 4 LEU HD21 H 1 0.601 0.000 . 2 . . . A 75 LEU HD21 . 34046 1 43 . 1 1 4 4 LEU HD22 H 1 0.601 0.000 . 2 . . . A 75 LEU HD22 . 34046 1 44 . 1 1 4 4 LEU HD23 H 1 0.601 0.000 . 2 . . . A 75 LEU HD23 . 34046 1 45 . 1 1 4 4 LEU C C 13 176.180 0.000 . 1 . . . A 75 LEU C . 34046 1 46 . 1 1 4 4 LEU CA C 13 52.923 0.000 . 1 . . . A 75 LEU CA . 34046 1 47 . 1 1 4 4 LEU CB C 13 39.279 0.000 . 1 . . . A 75 LEU CB . 34046 1 48 . 1 1 4 4 LEU CG C 13 27.116 0.000 . 1 . . . A 75 LEU CG . 34046 1 49 . 1 1 4 4 LEU CD1 C 13 23.197 0.000 . 2 . . . A 75 LEU CD1 . 34046 1 50 . 1 1 4 4 LEU CD2 C 13 25.312 0.000 . 2 . . . A 75 LEU CD2 . 34046 1 51 . 1 1 4 4 LEU N N 15 121.914 0.000 . 1 . . . A 75 LEU N . 34046 1 52 . 1 1 5 5 SER H H 1 8.014 0.000 . 1 . . . A 76 SER H . 34046 1 53 . 1 1 5 5 SER HA H 1 4.085 0.000 . 1 . . . A 76 SER HA . 34046 1 54 . 1 1 5 5 SER HB2 H 1 3.508 0.000 . 2 . . . A 76 SER HB2 . 34046 1 55 . 1 1 5 5 SER HB3 H 1 3.686 0.000 . 2 . . . A 76 SER HB3 . 34046 1 56 . 1 1 5 5 SER C C 13 175.302 0.000 . 1 . . . A 76 SER C . 34046 1 57 . 1 1 5 5 SER CA C 13 59.230 0.000 . 1 . . . A 76 SER CA . 34046 1 58 . 1 1 5 5 SER CB C 13 62.560 0.000 . 1 . . . A 76 SER CB . 34046 1 59 . 1 1 5 5 SER N N 15 121.161 0.000 . 1 . . . A 76 SER N . 34046 1 60 . 1 1 6 6 LYS H H 1 7.452 0.000 . 1 . . . A 77 LYS H . 34046 1 61 . 1 1 6 6 LYS HA H 1 4.346 0.000 . 1 . . . A 77 LYS HA . 34046 1 62 . 1 1 6 6 LYS HB2 H 1 1.724 0.000 . 2 . . . A 77 LYS HB2 . 34046 1 63 . 1 1 6 6 LYS HB3 H 1 1.479 0.000 . 2 . . . A 77 LYS HB3 . 34046 1 64 . 1 1 6 6 LYS HG2 H 1 1.354 0.000 . 2 . . . A 77 LYS HG2 . 34046 1 65 . 1 1 6 6 LYS HG3 H 1 1.186 0.000 . 2 . . . A 77 LYS HG3 . 34046 1 66 . 1 1 6 6 LYS HD2 H 1 1.531 0.000 . 1 . . . A 77 LYS HD2 . 34046 1 67 . 1 1 6 6 LYS HD3 H 1 1.531 0.000 . 1 . . . A 77 LYS HD3 . 34046 1 68 . 1 1 6 6 LYS HE2 H 1 2.858 0.000 . 2 . . . A 77 LYS HE2 . 34046 1 69 . 1 1 6 6 LYS HE3 H 1 2.695 0.000 . 2 . . . A 77 LYS HE3 . 34046 1 70 . 1 1 6 6 LYS C C 13 173.311 0.000 . 1 . . . A 77 LYS C . 34046 1 71 . 1 1 6 6 LYS CA C 13 57.203 0.000 . 1 . . . A 77 LYS CA . 34046 1 72 . 1 1 6 6 LYS CB C 13 34.220 0.000 . 1 . . . A 77 LYS CB . 34046 1 73 . 1 1 6 6 LYS CG C 13 24.871 0.000 . 1 . . . A 77 LYS CG . 34046 1 74 . 1 1 6 6 LYS CD C 13 28.551 0.000 . 1 . . . A 77 LYS CD . 34046 1 75 . 1 1 6 6 LYS CE C 13 42.046 0.000 . 1 . . . A 77 LYS CE . 34046 1 76 . 1 1 6 6 LYS N N 15 122.695 0.000 . 1 . . . A 77 LYS N . 34046 1 77 . 1 1 7 7 ASP H H 1 8.631 0.000 . 1 . . . A 78 ASP H . 34046 1 78 . 1 1 7 7 ASP HA H 1 4.957 0.000 . 1 . . . A 78 ASP HA . 34046 1 79 . 1 1 7 7 ASP HB2 H 1 2.695 0.000 . 2 . . . A 78 ASP HB2 . 34046 1 80 . 1 1 7 7 ASP HB3 H 1 2.426 0.000 . 2 . . . A 78 ASP HB3 . 34046 1 81 . 1 1 7 7 ASP C C 13 177.516 0.000 . 1 . . . A 78 ASP C . 34046 1 82 . 1 1 7 7 ASP CA C 13 50.364 0.000 . 1 . . . A 78 ASP CA . 34046 1 83 . 1 1 7 7 ASP CB C 13 43.141 0.000 . 1 . . . A 78 ASP CB . 34046 1 84 . 1 1 7 7 ASP N N 15 126.287 0.000 . 1 . . . A 78 ASP N . 34046 1 85 . 1 1 8 8 LEU H H 1 9.325 0.000 . 1 . . . A 79 LEU H . 34046 1 86 . 1 1 8 8 LEU HA H 1 4.308 0.000 . 1 . . . A 79 LEU HA . 34046 1 87 . 1 1 8 8 LEU HB2 H 1 1.456 0.000 . 2 . . . A 79 LEU HB2 . 34046 1 88 . 1 1 8 8 LEU HB3 H 1 1.669 0.000 . 2 . . . A 79 LEU HB3 . 34046 1 89 . 1 1 8 8 LEU HG H 1 1.041 0.000 . 1 . . . A 79 LEU HG . 34046 1 90 . 1 1 8 8 LEU HD11 H 1 1.047 0.000 . 2 . . . A 79 LEU HD11 . 34046 1 91 . 1 1 8 8 LEU HD12 H 1 1.047 0.000 . 2 . . . A 79 LEU HD12 . 34046 1 92 . 1 1 8 8 LEU HD13 H 1 1.047 0.000 . 2 . . . A 79 LEU HD13 . 34046 1 93 . 1 1 8 8 LEU HD21 H 1 0.931 0.000 . 2 . . . A 79 LEU HD21 . 34046 1 94 . 1 1 8 8 LEU HD22 H 1 0.931 0.000 . 2 . . . A 79 LEU HD22 . 34046 1 95 . 1 1 8 8 LEU HD23 H 1 0.931 0.000 . 2 . . . A 79 LEU HD23 . 34046 1 96 . 1 1 8 8 LEU C C 13 177.003 0.000 . 1 . . . A 79 LEU C . 34046 1 97 . 1 1 8 8 LEU CA C 13 55.011 0.000 . 1 . . . A 79 LEU CA . 34046 1 98 . 1 1 8 8 LEU CB C 13 41.206 0.000 . 1 . . . A 79 LEU CB . 34046 1 99 . 1 1 8 8 LEU CG C 13 27.060 0.000 . 1 . . . A 79 LEU CG . 34046 1 100 . 1 1 8 8 LEU CD1 C 13 24.670 0.000 . 2 . . . A 79 LEU CD1 . 34046 1 101 . 1 1 8 8 LEU CD2 C 13 25.712 0.000 . 2 . . . A 79 LEU CD2 . 34046 1 102 . 1 1 8 8 LEU N N 15 122.664 0.000 . 1 . . . A 79 LEU N . 34046 1 103 . 1 1 9 9 THR H H 1 7.864 0.000 . 1 . . . A 80 THR H . 34046 1 104 . 1 1 9 9 THR HA H 1 4.331 0.000 . 1 . . . A 80 THR HA . 34046 1 105 . 1 1 9 9 THR HB H 1 4.473 0.000 . 1 . . . A 80 THR HB . 34046 1 106 . 1 1 9 9 THR HG21 H 1 1.214 0.000 . 1 . . . A 80 THR HG21 . 34046 1 107 . 1 1 9 9 THR HG22 H 1 1.214 0.000 . 1 . . . A 80 THR HG22 . 34046 1 108 . 1 1 9 9 THR HG23 H 1 1.214 0.000 . 1 . . . A 80 THR HG23 . 34046 1 109 . 1 1 9 9 THR C C 13 173.867 0.000 . 1 . . . A 80 THR C . 34046 1 110 . 1 1 9 9 THR CA C 13 60.382 0.000 . 1 . . . A 80 THR CA . 34046 1 111 . 1 1 9 9 THR CB C 13 70.589 0.000 . 1 . . . A 80 THR CB . 34046 1 112 . 1 1 9 9 THR CG2 C 13 22.255 0.000 . 1 . . . A 80 THR CG2 . 34046 1 113 . 1 1 9 9 THR N N 15 110.248 0.000 . 1 . . . A 80 THR N . 34046 1 114 . 1 1 10 10 ALA H H 1 8.198 0.000 . 1 . . . A 81 ALA H . 34046 1 115 . 1 1 10 10 ALA HA H 1 4.400 0.000 . 1 . . . A 81 ALA HA . 34046 1 116 . 1 1 10 10 ALA HB1 H 1 1.358 0.000 . 1 . . . A 81 ALA HB1 . 34046 1 117 . 1 1 10 10 ALA HB2 H 1 1.358 0.000 . 1 . . . A 81 ALA HB2 . 34046 1 118 . 1 1 10 10 ALA HB3 H 1 1.358 0.000 . 1 . . . A 81 ALA HB3 . 34046 1 119 . 1 1 10 10 ALA C C 13 179.129 0.000 . 1 . . . A 81 ALA C . 34046 1 120 . 1 1 10 10 ALA CA C 13 53.939 0.000 . 1 . . . A 81 ALA CA . 34046 1 121 . 1 1 10 10 ALA CB C 13 18.612 0.000 . 1 . . . A 81 ALA CB . 34046 1 122 . 1 1 10 10 ALA N N 15 118.909 0.000 . 1 . . . A 81 ALA N . 34046 1 123 . 1 1 11 11 SER H H 1 7.664 0.000 . 1 . . . A 82 SER H . 34046 1 124 . 1 1 11 11 SER HA H 1 5.275 0.000 . 1 . . . A 82 SER HA . 34046 1 125 . 1 1 11 11 SER HB2 H 1 3.780 0.000 . 2 . . . A 82 SER HB2 . 34046 1 126 . 1 1 11 11 SER HB3 H 1 3.814 0.000 . 2 . . . A 82 SER HB3 . 34046 1 127 . 1 1 11 11 SER C C 13 173.011 0.000 . 1 . . . A 82 SER C . 34046 1 128 . 1 1 11 11 SER CA C 13 56.925 0.000 . 1 . . . A 82 SER CA . 34046 1 129 . 1 1 11 11 SER CB C 13 65.465 0.000 . 1 . . . A 82 SER CB . 34046 1 130 . 1 1 11 11 SER N N 15 109.944 0.000 . 1 . . . A 82 SER N . 34046 1 131 . 1 1 12 12 MET H H 1 8.259 0.000 . 1 . . . A 83 MET H . 34046 1 132 . 1 1 12 12 MET HA H 1 4.397 0.000 . 1 . . . A 83 MET HA . 34046 1 133 . 1 1 12 12 MET HB2 H 1 1.723 0.000 . 1 . . . A 83 MET HB2 . 34046 1 134 . 1 1 12 12 MET HB3 H 1 1.723 0.000 . 1 . . . A 83 MET HB3 . 34046 1 135 . 1 1 12 12 MET HG2 H 1 2.130 0.000 . 2 . . . A 83 MET HG2 . 34046 1 136 . 1 1 12 12 MET HG3 H 1 2.256 0.000 . 2 . . . A 83 MET HG3 . 34046 1 137 . 1 1 12 12 MET C C 13 172.940 0.000 . 1 . . . A 83 MET C . 34046 1 138 . 1 1 12 12 MET CA C 13 55.857 0.000 . 1 . . . A 83 MET CA . 34046 1 139 . 1 1 12 12 MET CB C 13 37.460 0.000 . 1 . . . A 83 MET CB . 34046 1 140 . 1 1 12 12 MET CG C 13 31.576 0.000 . 1 . . . A 83 MET CG . 34046 1 141 . 1 1 12 12 MET N N 15 121.924 0.000 . 1 . . . A 83 MET N . 34046 1 142 . 1 1 13 13 SER H H 1 8.489 0.000 . 1 . . . A 84 SER H . 34046 1 143 . 1 1 13 13 SER HA H 1 5.442 0.000 . 1 . . . A 84 SER HA . 34046 1 144 . 1 1 13 13 SER HB2 H 1 3.536 0.000 . 1 . . . A 84 SER HB2 . 34046 1 145 . 1 1 13 13 SER HB3 H 1 3.536 0.000 . 1 . . . A 84 SER HB3 . 34046 1 146 . 1 1 13 13 SER C C 13 173.244 0.000 . 1 . . . A 84 SER C . 34046 1 147 . 1 1 13 13 SER CA C 13 56.372 0.000 . 1 . . . A 84 SER CA . 34046 1 148 . 1 1 13 13 SER CB C 13 65.219 0.000 . 1 . . . A 84 SER CB . 34046 1 149 . 1 1 13 13 SER N N 15 119.543 0.000 . 1 . . . A 84 SER N . 34046 1 150 . 1 1 14 14 VAL H H 1 8.550 0.000 . 1 . . . A 85 VAL H . 34046 1 151 . 1 1 14 14 VAL HA H 1 4.330 0.000 . 1 . . . A 85 VAL HA . 34046 1 152 . 1 1 14 14 VAL HB H 1 1.711 0.000 . 1 . . . A 85 VAL HB . 34046 1 153 . 1 1 14 14 VAL HG11 H 1 0.641 0.000 . 2 . . . A 85 VAL HG11 . 34046 1 154 . 1 1 14 14 VAL HG12 H 1 0.641 0.000 . 2 . . . A 85 VAL HG12 . 34046 1 155 . 1 1 14 14 VAL HG13 H 1 0.641 0.000 . 2 . . . A 85 VAL HG13 . 34046 1 156 . 1 1 14 14 VAL HG21 H 1 0.666 0.000 . 2 . . . A 85 VAL HG21 . 34046 1 157 . 1 1 14 14 VAL HG22 H 1 0.666 0.000 . 2 . . . A 85 VAL HG22 . 34046 1 158 . 1 1 14 14 VAL HG23 H 1 0.666 0.000 . 2 . . . A 85 VAL HG23 . 34046 1 159 . 1 1 14 14 VAL C C 13 173.508 0.000 . 1 . . . A 85 VAL C . 34046 1 160 . 1 1 14 14 VAL CA C 13 59.207 0.000 . 1 . . . A 85 VAL CA . 34046 1 161 . 1 1 14 14 VAL CB C 13 35.610 0.000 . 1 . . . A 85 VAL CB . 34046 1 162 . 1 1 14 14 VAL CG1 C 13 21.284 0.000 . 2 . . . A 85 VAL CG1 . 34046 1 163 . 1 1 14 14 VAL CG2 C 13 21.119 0.000 . 2 . . . A 85 VAL CG2 . 34046 1 164 . 1 1 14 14 VAL N N 15 121.861 0.000 . 1 . . . A 85 VAL N . 34046 1 165 . 1 1 15 15 GLU H H 1 8.359 0.000 . 1 . . . A 86 GLU H . 34046 1 166 . 1 1 15 15 GLU HA H 1 4.270 0.000 . 1 . . . A 86 GLU HA . 34046 1 167 . 1 1 15 15 GLU HB2 H 1 1.657 0.000 . 2 . . . A 86 GLU HB2 . 34046 1 168 . 1 1 15 15 GLU HB3 H 1 1.848 0.000 . 2 . . . A 86 GLU HB3 . 34046 1 169 . 1 1 15 15 GLU HG2 H 1 2.169 0.000 . 1 . . . A 86 GLU HG2 . 34046 1 170 . 1 1 15 15 GLU HG3 H 1 2.169 0.000 . 1 . . . A 86 GLU HG3 . 34046 1 171 . 1 1 15 15 GLU C C 13 175.721 0.000 . 1 . . . A 86 GLU C . 34046 1 172 . 1 1 15 15 GLU CA C 13 55.503 0.000 . 1 . . . A 86 GLU CA . 34046 1 173 . 1 1 15 15 GLU CB C 13 30.151 0.000 . 1 . . . A 86 GLU CB . 34046 1 174 . 1 1 15 15 GLU CG C 13 36.259 0.000 . 1 . . . A 86 GLU CG . 34046 1 175 . 1 1 15 15 GLU N N 15 125.227 0.000 . 1 . . . A 86 GLU N . 34046 1 176 . 1 1 16 16 GLU H H 1 8.307 0.000 . 1 . . . A 87 GLU H . 34046 1 177 . 1 1 16 16 GLU HA H 1 3.367 0.000 . 1 . . . A 87 GLU HA . 34046 1 178 . 1 1 16 16 GLU HB2 H 1 1.906 0.000 . 2 . . . A 87 GLU HB2 . 34046 1 179 . 1 1 16 16 GLU HB3 H 1 1.763 0.000 . 2 . . . A 87 GLU HB3 . 34046 1 180 . 1 1 16 16 GLU C C 13 177.326 0.000 . 1 . . . A 87 GLU C . 34046 1 181 . 1 1 16 16 GLU CA C 13 58.339 0.000 . 1 . . . A 87 GLU CA . 34046 1 182 . 1 1 16 16 GLU CB C 13 29.515 0.000 . 1 . . . A 87 GLU CB . 34046 1 183 . 1 1 16 16 GLU N N 15 123.288 0.000 . 1 . . . A 87 GLU N . 34046 1 184 . 1 1 17 17 GLY H H 1 9.392 0.000 . 1 . . . A 88 GLY H . 34046 1 185 . 1 1 17 17 GLY HA2 H 1 4.240 0.000 . 2 . . . A 88 GLY HA2 . 34046 1 186 . 1 1 17 17 GLY HA3 H 1 3.337 0.000 . 2 . . . A 88 GLY HA3 . 34046 1 187 . 1 1 17 17 GLY C C 13 172.939 0.000 . 1 . . . A 88 GLY C . 34046 1 188 . 1 1 17 17 GLY CA C 13 45.052 0.000 . 1 . . . A 88 GLY CA . 34046 1 189 . 1 1 17 17 GLY N N 15 115.125 0.000 . 1 . . . A 88 GLY N . 34046 1 190 . 1 1 18 18 ALA H H 1 8.155 0.000 . 1 . . . A 89 ALA H . 34046 1 191 . 1 1 18 18 ALA HA H 1 4.519 0.000 . 1 . . . A 89 ALA HA . 34046 1 192 . 1 1 18 18 ALA HB1 H 1 1.390 0.000 . 1 . . . A 89 ALA HB1 . 34046 1 193 . 1 1 18 18 ALA HB2 H 1 1.390 0.000 . 1 . . . A 89 ALA HB2 . 34046 1 194 . 1 1 18 18 ALA HB3 H 1 1.390 0.000 . 1 . . . A 89 ALA HB3 . 34046 1 195 . 1 1 18 18 ALA C C 13 175.630 0.000 . 1 . . . A 89 ALA C . 34046 1 196 . 1 1 18 18 ALA CA C 13 50.473 0.000 . 1 . . . A 89 ALA CA . 34046 1 197 . 1 1 18 18 ALA CB C 13 20.941 0.000 . 1 . . . A 89 ALA CB . 34046 1 198 . 1 1 18 18 ALA N N 15 124.845 0.000 . 1 . . . A 89 ALA N . 34046 1 199 . 1 1 19 19 ALA H H 1 7.862 0.000 . 1 . . . A 90 ALA H . 34046 1 200 . 1 1 19 19 ALA HA H 1 4.142 0.000 . 1 . . . A 90 ALA HA . 34046 1 201 . 1 1 19 19 ALA HB1 H 1 1.003 0.000 . 1 . . . A 90 ALA HB1 . 34046 1 202 . 1 1 19 19 ALA HB2 H 1 1.003 0.000 . 1 . . . A 90 ALA HB2 . 34046 1 203 . 1 1 19 19 ALA HB3 H 1 1.003 0.000 . 1 . . . A 90 ALA HB3 . 34046 1 204 . 1 1 19 19 ALA C C 13 177.478 0.000 . 1 . . . A 90 ALA C . 34046 1 205 . 1 1 19 19 ALA CA C 13 52.657 0.000 . 1 . . . A 90 ALA CA . 34046 1 206 . 1 1 19 19 ALA CB C 13 18.744 0.000 . 1 . . . A 90 ALA CB . 34046 1 207 . 1 1 19 19 ALA N N 15 119.175 0.000 . 1 . . . A 90 ALA N . 34046 1 208 . 1 1 20 20 LEU H H 1 8.337 0.000 . 1 . . . A 91 LEU H . 34046 1 209 . 1 1 20 20 LEU HA H 1 4.314 0.000 . 1 . . . A 91 LEU HA . 34046 1 210 . 1 1 20 20 LEU HB2 H 1 0.992 0.000 . 2 . . . A 91 LEU HB2 . 34046 1 211 . 1 1 20 20 LEU HB3 H 1 1.637 0.000 . 2 . . . A 91 LEU HB3 . 34046 1 212 . 1 1 20 20 LEU HG H 1 1.057 0.000 . 1 . . . A 91 LEU HG . 34046 1 213 . 1 1 20 20 LEU HD11 H 1 0.440 0.000 . 2 . . . A 91 LEU HD11 . 34046 1 214 . 1 1 20 20 LEU HD12 H 1 0.440 0.000 . 2 . . . A 91 LEU HD12 . 34046 1 215 . 1 1 20 20 LEU HD13 H 1 0.440 0.000 . 2 . . . A 91 LEU HD13 . 34046 1 216 . 1 1 20 20 LEU HD21 H 1 0.527 0.000 . 2 . . . A 91 LEU HD21 . 34046 1 217 . 1 1 20 20 LEU HD22 H 1 0.527 0.000 . 2 . . . A 91 LEU HD22 . 34046 1 218 . 1 1 20 20 LEU HD23 H 1 0.527 0.000 . 2 . . . A 91 LEU HD23 . 34046 1 219 . 1 1 20 20 LEU C C 13 173.888 0.000 . 1 . . . A 91 LEU C . 34046 1 220 . 1 1 20 20 LEU CA C 13 53.375 0.000 . 1 . . . A 91 LEU CA . 34046 1 221 . 1 1 20 20 LEU CB C 13 44.227 0.000 . 1 . . . A 91 LEU CB . 34046 1 222 . 1 1 20 20 LEU CG C 13 27.742 0.000 . 1 . . . A 91 LEU CG . 34046 1 223 . 1 1 20 20 LEU CD1 C 13 24.871 0.000 . 2 . . . A 91 LEU CD1 . 34046 1 224 . 1 1 20 20 LEU CD2 C 13 24.748 0.000 . 2 . . . A 91 LEU CD2 . 34046 1 225 . 1 1 20 20 LEU N N 15 125.614 0.000 . 1 . . . A 91 LEU N . 34046 1 226 . 1 1 21 21 THR H H 1 8.225 0.000 . 1 . . . A 92 THR H . 34046 1 227 . 1 1 21 21 THR HA H 1 4.780 0.000 . 1 . . . A 92 THR HA . 34046 1 228 . 1 1 21 21 THR HB H 1 3.543 0.000 . 1 . . . A 92 THR HB . 34046 1 229 . 1 1 21 21 THR HG21 H 1 0.781 0.000 . 1 . . . A 92 THR HG21 . 34046 1 230 . 1 1 21 21 THR HG22 H 1 0.781 0.000 . 1 . . . A 92 THR HG22 . 34046 1 231 . 1 1 21 21 THR HG23 H 1 0.781 0.000 . 1 . . . A 92 THR HG23 . 34046 1 232 . 1 1 21 21 THR C C 13 172.473 0.000 . 1 . . . A 92 THR C . 34046 1 233 . 1 1 21 21 THR CA C 13 61.283 0.000 . 1 . . . A 92 THR CA . 34046 1 234 . 1 1 21 21 THR CB C 13 70.655 0.000 . 1 . . . A 92 THR CB . 34046 1 235 . 1 1 21 21 THR CG2 C 13 21.456 0.000 . 1 . . . A 92 THR CG2 . 34046 1 236 . 1 1 21 21 THR N N 15 122.991 0.000 . 1 . . . A 92 THR N . 34046 1 237 . 1 1 22 22 LEU H H 1 8.854 0.000 . 1 . . . A 93 LEU H . 34046 1 238 . 1 1 22 22 LEU HA H 1 4.616 0.000 . 1 . . . A 93 LEU HA . 34046 1 239 . 1 1 22 22 LEU HB2 H 1 1.537 0.000 . 1 . . . A 93 LEU HB2 . 34046 1 240 . 1 1 22 22 LEU HB3 H 1 1.537 0.000 . 1 . . . A 93 LEU HB3 . 34046 1 241 . 1 1 22 22 LEU HG H 1 1.100 0.000 . 1 . . . A 93 LEU HG . 34046 1 242 . 1 1 22 22 LEU HD11 H 1 0.287 0.000 . 2 . . . A 93 LEU HD11 . 34046 1 243 . 1 1 22 22 LEU HD12 H 1 0.287 0.000 . 2 . . . A 93 LEU HD12 . 34046 1 244 . 1 1 22 22 LEU HD13 H 1 0.287 0.000 . 2 . . . A 93 LEU HD13 . 34046 1 245 . 1 1 22 22 LEU HD21 H 1 0.776 0.000 . 2 . . . A 93 LEU HD21 . 34046 1 246 . 1 1 22 22 LEU HD22 H 1 0.776 0.000 . 2 . . . A 93 LEU HD22 . 34046 1 247 . 1 1 22 22 LEU HD23 H 1 0.776 0.000 . 2 . . . A 93 LEU HD23 . 34046 1 248 . 1 1 22 22 LEU C C 13 174.606 0.000 . 1 . . . A 93 LEU C . 34046 1 249 . 1 1 22 22 LEU CA C 13 53.059 0.000 . 1 . . . A 93 LEU CA . 34046 1 250 . 1 1 22 22 LEU CB C 13 45.611 0.000 . 1 . . . A 93 LEU CB . 34046 1 251 . 1 1 22 22 LEU CG C 13 26.881 0.000 . 1 . . . A 93 LEU CG . 34046 1 252 . 1 1 22 22 LEU CD1 C 13 25.558 0.000 . 2 . . . A 93 LEU CD1 . 34046 1 253 . 1 1 22 22 LEU CD2 C 13 26.877 0.000 . 2 . . . A 93 LEU CD2 . 34046 1 254 . 1 1 22 22 LEU N N 15 128.505 0.000 . 1 . . . A 93 LEU N . 34046 1 255 . 1 1 23 23 SER H H 1 8.164 0.000 . 1 . . . A 94 SER H . 34046 1 256 . 1 1 23 23 SER HA H 1 5.527 0.000 . 1 . . . A 94 SER HA . 34046 1 257 . 1 1 23 23 SER HB2 H 1 3.444 0.000 . 1 . . . A 94 SER HB2 . 34046 1 258 . 1 1 23 23 SER HB3 H 1 3.444 0.000 . 1 . . . A 94 SER HB3 . 34046 1 259 . 1 1 23 23 SER C C 13 172.435 0.000 . 1 . . . A 94 SER C . 34046 1 260 . 1 1 23 23 SER CA C 13 57.211 0.000 . 1 . . . A 94 SER CA . 34046 1 261 . 1 1 23 23 SER CB C 13 66.059 0.000 . 1 . . . A 94 SER CB . 34046 1 262 . 1 1 23 23 SER N N 15 115.460 0.000 . 1 . . . A 94 SER N . 34046 1 263 . 1 1 24 24 VAL H H 1 8.191 0.000 . 1 . . . A 95 VAL H . 34046 1 264 . 1 1 24 24 VAL HA H 1 4.694 0.000 . 1 . . . A 95 VAL HA . 34046 1 265 . 1 1 24 24 VAL HB H 1 2.250 0.000 . 1 . . . A 95 VAL HB . 34046 1 266 . 1 1 24 24 VAL HG11 H 1 0.677 0.000 . 2 . . . A 95 VAL HG11 . 34046 1 267 . 1 1 24 24 VAL HG12 H 1 0.677 0.000 . 2 . . . A 95 VAL HG12 . 34046 1 268 . 1 1 24 24 VAL HG13 H 1 0.677 0.000 . 2 . . . A 95 VAL HG13 . 34046 1 269 . 1 1 24 24 VAL HG21 H 1 0.817 0.000 . 2 . . . A 95 VAL HG21 . 34046 1 270 . 1 1 24 24 VAL HG22 H 1 0.817 0.000 . 2 . . . A 95 VAL HG22 . 34046 1 271 . 1 1 24 24 VAL HG23 H 1 0.817 0.000 . 2 . . . A 95 VAL HG23 . 34046 1 272 . 1 1 24 24 VAL C C 13 175.220 0.000 . 1 . . . A 95 VAL C . 34046 1 273 . 1 1 24 24 VAL CA C 13 58.334 0.000 . 1 . . . A 95 VAL CA . 34046 1 274 . 1 1 24 24 VAL CB C 13 35.738 0.000 . 1 . . . A 95 VAL CB . 34046 1 275 . 1 1 24 24 VAL CG1 C 13 22.588 0.000 . 2 . . . A 95 VAL CG1 . 34046 1 276 . 1 1 24 24 VAL CG2 C 13 17.091 0.000 . 2 . . . A 95 VAL CG2 . 34046 1 277 . 1 1 24 24 VAL N N 15 114.574 0.000 . 1 . . . A 95 VAL N . 34046 1 278 . 1 1 25 25 THR H H 1 8.539 0.000 . 1 . . . A 96 THR H . 34046 1 279 . 1 1 25 25 THR HA H 1 4.463 0.000 . 1 . . . A 96 THR HA . 34046 1 280 . 1 1 25 25 THR HB H 1 3.707 0.000 . 1 . . . A 96 THR HB . 34046 1 281 . 1 1 25 25 THR HG21 H 1 1.018 0.000 . 1 . . . A 96 THR HG21 . 34046 1 282 . 1 1 25 25 THR HG22 H 1 1.018 0.000 . 1 . . . A 96 THR HG22 . 34046 1 283 . 1 1 25 25 THR HG23 H 1 1.018 0.000 . 1 . . . A 96 THR HG23 . 34046 1 284 . 1 1 25 25 THR C C 13 172.633 0.000 . 1 . . . A 96 THR C . 34046 1 285 . 1 1 25 25 THR CA C 13 62.125 0.000 . 1 . . . A 96 THR CA . 34046 1 286 . 1 1 25 25 THR CB C 13 71.186 0.000 . 1 . . . A 96 THR CB . 34046 1 287 . 1 1 25 25 THR CG2 C 13 22.336 0.000 . 1 . . . A 96 THR CG2 . 34046 1 288 . 1 1 25 25 THR N N 15 115.138 0.000 . 1 . . . A 96 THR N . 34046 1 289 . 1 1 26 26 ALA H H 1 8.874 0.000 . 1 . . . A 97 ALA H . 34046 1 290 . 1 1 26 26 ALA HA H 1 4.955 0.000 . 1 . . . A 97 ALA HA . 34046 1 291 . 1 1 26 26 ALA HB1 H 1 0.551 0.000 . 1 . . . A 97 ALA HB1 . 34046 1 292 . 1 1 26 26 ALA HB2 H 1 0.551 0.000 . 1 . . . A 97 ALA HB2 . 34046 1 293 . 1 1 26 26 ALA HB3 H 1 0.551 0.000 . 1 . . . A 97 ALA HB3 . 34046 1 294 . 1 1 26 26 ALA C C 13 174.939 0.000 . 1 . . . A 97 ALA C . 34046 1 295 . 1 1 26 26 ALA CA C 13 50.075 0.000 . 1 . . . A 97 ALA CA . 34046 1 296 . 1 1 26 26 ALA CB C 13 21.275 0.000 . 1 . . . A 97 ALA CB . 34046 1 297 . 1 1 26 26 ALA N N 15 129.436 0.000 . 1 . . . A 97 ALA N . 34046 1 298 . 1 1 27 27 THR H H 1 8.687 0.000 . 1 . . . A 98 THR H . 34046 1 299 . 1 1 27 27 THR HA H 1 4.607 0.000 . 1 . . . A 98 THR HA . 34046 1 300 . 1 1 27 27 THR HB H 1 3.912 0.000 . 1 . . . A 98 THR HB . 34046 1 301 . 1 1 27 27 THR HG21 H 1 0.899 0.000 . 1 . . . A 98 THR HG21 . 34046 1 302 . 1 1 27 27 THR HG22 H 1 0.899 0.000 . 1 . . . A 98 THR HG22 . 34046 1 303 . 1 1 27 27 THR HG23 H 1 0.899 0.000 . 1 . . . A 98 THR HG23 . 34046 1 304 . 1 1 27 27 THR C C 13 172.719 0.000 . 1 . . . A 98 THR C . 34046 1 305 . 1 1 27 27 THR CA C 13 60.498 0.000 . 1 . . . A 98 THR CA . 34046 1 306 . 1 1 27 27 THR CB C 13 70.648 0.000 . 1 . . . A 98 THR CB . 34046 1 307 . 1 1 27 27 THR CG2 C 13 21.130 0.000 . 1 . . . A 98 THR CG2 . 34046 1 308 . 1 1 27 27 THR N N 15 113.865 0.000 . 1 . . . A 98 THR N . 34046 1 309 . 1 1 28 28 GLY H H 1 8.037 0.000 . 1 . . . A 99 GLY H . 34046 1 310 . 1 1 28 28 GLY HA2 H 1 3.664 0.000 . 2 . . . A 99 GLY HA2 . 34046 1 311 . 1 1 28 28 GLY HA3 H 1 4.400 0.000 . 2 . . . A 99 GLY HA3 . 34046 1 312 . 1 1 28 28 GLY C C 13 175.533 0.000 . 1 . . . A 99 GLY C . 34046 1 313 . 1 1 28 28 GLY CA C 13 44.006 0.000 . 1 . . . A 99 GLY CA . 34046 1 314 . 1 1 28 28 GLY N N 15 108.201 0.000 . 1 . . . A 99 GLY N . 34046 1 315 . 1 1 29 29 GLY H H 1 8.000 0.000 . 1 . . . A 100 GLY H . 34046 1 316 . 1 1 29 29 GLY HA2 H 1 4.701 0.000 . 2 . . . A 100 GLY HA2 . 34046 1 317 . 1 1 29 29 GLY HA3 H 1 3.935 0.000 . 2 . . . A 100 GLY HA3 . 34046 1 318 . 1 1 29 29 GLY C C 13 173.925 0.000 . 1 . . . A 100 GLY C . 34046 1 319 . 1 1 29 29 GLY CA C 13 44.910 0.000 . 1 . . . A 100 GLY CA . 34046 1 320 . 1 1 29 29 GLY N N 15 106.372 0.000 . 1 . . . A 100 GLY N . 34046 1 321 . 1 1 30 30 THR H H 1 9.412 0.000 . 1 . . . A 101 THR H . 34046 1 322 . 1 1 30 30 THR HA H 1 4.352 0.000 . 1 . . . A 101 THR HA . 34046 1 323 . 1 1 30 30 THR HB H 1 3.592 0.000 . 1 . . . A 101 THR HB . 34046 1 324 . 1 1 30 30 THR HG21 H 1 1.063 0.000 . 1 . . . A 101 THR HG21 . 34046 1 325 . 1 1 30 30 THR HG22 H 1 1.063 0.000 . 1 . . . A 101 THR HG22 . 34046 1 326 . 1 1 30 30 THR HG23 H 1 1.063 0.000 . 1 . . . A 101 THR HG23 . 34046 1 327 . 1 1 30 30 THR C C 13 174.537 0.000 . 1 . . . A 101 THR C . 34046 1 328 . 1 1 30 30 THR CA C 13 61.493 0.000 . 1 . . . A 101 THR CA . 34046 1 329 . 1 1 30 30 THR CB C 13 69.713 0.000 . 1 . . . A 101 THR CB . 34046 1 330 . 1 1 30 30 THR CG2 C 13 20.918 0.000 . 1 . . . A 101 THR CG2 . 34046 1 331 . 1 1 30 30 THR N N 15 120.433 0.000 . 1 . . . A 101 THR N . 34046 1 332 . 1 1 31 31 GLY H H 1 8.664 0.000 . 1 . . . A 102 GLY H . 34046 1 333 . 1 1 31 31 GLY CA C 13 44.001 0.000 . 1 . . . A 102 GLY CA . 34046 1 334 . 1 1 31 31 GLY N N 15 116.272 0.000 . 1 . . . A 102 GLY N . 34046 1 335 . 1 1 32 32 PRO HA H 1 4.092 0.000 . 1 . . . A 103 PRO HA . 34046 1 336 . 1 1 32 32 PRO HB2 H 1 2.257 0.000 . 2 . . . A 103 PRO HB2 . 34046 1 337 . 1 1 32 32 PRO HB3 H 1 2.008 0.000 . 2 . . . A 103 PRO HB3 . 34046 1 338 . 1 1 32 32 PRO HG2 H 1 1.574 0.000 . 2 . . . A 103 PRO HG2 . 34046 1 339 . 1 1 32 32 PRO HG3 H 1 1.734 0.000 . 2 . . . A 103 PRO HG3 . 34046 1 340 . 1 1 32 32 PRO HD2 H 1 3.287 0.000 . 2 . . . A 103 PRO HD2 . 34046 1 341 . 1 1 32 32 PRO HD3 H 1 3.373 0.000 . 2 . . . A 103 PRO HD3 . 34046 1 342 . 1 1 32 32 PRO C C 13 175.424 0.000 . 1 . . . A 103 PRO C . 34046 1 343 . 1 1 32 32 PRO CA C 13 61.577 0.000 . 1 . . . A 103 PRO CA . 34046 1 344 . 1 1 32 32 PRO CB C 13 35.228 0.000 . 1 . . . A 103 PRO CB . 34046 1 345 . 1 1 32 32 PRO CG C 13 24.314 0.000 . 1 . . . A 103 PRO CG . 34046 1 346 . 1 1 32 32 PRO CD C 13 50.579 0.000 . 1 . . . A 103 PRO CD . 34046 1 347 . 1 1 33 33 TYR H H 1 8.107 0.000 . 1 . . . A 104 TYR H . 34046 1 348 . 1 1 33 33 TYR HA H 1 5.188 0.000 . 1 . . . A 104 TYR HA . 34046 1 349 . 1 1 33 33 TYR HB2 H 1 2.330 0.000 . 2 . . . A 104 TYR HB2 . 34046 1 350 . 1 1 33 33 TYR HB3 H 1 2.408 0.000 . 2 . . . A 104 TYR HB3 . 34046 1 351 . 1 1 33 33 TYR HD1 H 1 6.685 0.000 . 1 . . . A 104 TYR HD1 . 34046 1 352 . 1 1 33 33 TYR HD2 H 1 6.685 0.000 . 1 . . . A 104 TYR HD2 . 34046 1 353 . 1 1 33 33 TYR HE1 H 1 6.540 0.000 . 1 . . . A 104 TYR HE1 . 34046 1 354 . 1 1 33 33 TYR HE2 H 1 6.540 0.000 . 1 . . . A 104 TYR HE2 . 34046 1 355 . 1 1 33 33 TYR C C 13 175.709 0.000 . 1 . . . A 104 TYR C . 34046 1 356 . 1 1 33 33 TYR CA C 13 55.600 0.000 . 1 . . . A 104 TYR CA . 34046 1 357 . 1 1 33 33 TYR CB C 13 40.546 0.000 . 1 . . . A 104 TYR CB . 34046 1 358 . 1 1 33 33 TYR CD1 C 13 131.727 0.000 . 1 . . . A 104 TYR CD1 . 34046 1 359 . 1 1 33 33 TYR CD2 C 13 131.727 0.000 . 1 . . . A 104 TYR CD2 . 34046 1 360 . 1 1 33 33 TYR CE1 C 13 117.642 0.000 . 1 . . . A 104 TYR CE1 . 34046 1 361 . 1 1 33 33 TYR CE2 C 13 117.642 0.000 . 1 . . . A 104 TYR CE2 . 34046 1 362 . 1 1 33 33 TYR N N 15 119.043 0.000 . 1 . . . A 104 TYR N . 34046 1 363 . 1 1 34 34 THR H H 1 8.962 0.000 . 1 . . . A 105 THR H . 34046 1 364 . 1 1 34 34 THR HA H 1 4.540 0.000 . 1 . . . A 105 THR HA . 34046 1 365 . 1 1 34 34 THR HB H 1 4.028 0.000 . 1 . . . A 105 THR HB . 34046 1 366 . 1 1 34 34 THR HG21 H 1 1.047 0.000 . 1 . . . A 105 THR HG21 . 34046 1 367 . 1 1 34 34 THR HG22 H 1 1.047 0.000 . 1 . . . A 105 THR HG22 . 34046 1 368 . 1 1 34 34 THR HG23 H 1 1.047 0.000 . 1 . . . A 105 THR HG23 . 34046 1 369 . 1 1 34 34 THR C C 13 172.385 0.000 . 1 . . . A 105 THR C . 34046 1 370 . 1 1 34 34 THR CA C 13 60.498 0.000 . 1 . . . A 105 THR CA . 34046 1 371 . 1 1 34 34 THR CB C 13 71.256 0.000 . 1 . . . A 105 THR CB . 34046 1 372 . 1 1 34 34 THR CG2 C 13 21.755 0.000 . 1 . . . A 105 THR CG2 . 34046 1 373 . 1 1 34 34 THR N N 15 113.394 0.000 . 1 . . . A 105 THR N . 34046 1 374 . 1 1 35 35 TYR H H 1 8.192 0.000 . 1 . . . A 106 TYR H . 34046 1 375 . 1 1 35 35 TYR HA H 1 4.688 0.000 . 1 . . . A 106 TYR HA . 34046 1 376 . 1 1 35 35 TYR HB2 H 1 2.262 0.000 . 2 . . . A 106 TYR HB2 . 34046 1 377 . 1 1 35 35 TYR HB3 H 1 2.429 0.000 . 2 . . . A 106 TYR HB3 . 34046 1 378 . 1 1 35 35 TYR HD1 H 1 6.756 0.000 . 1 . . . A 106 TYR HD1 . 34046 1 379 . 1 1 35 35 TYR HD2 H 1 6.756 0.000 . 1 . . . A 106 TYR HD2 . 34046 1 380 . 1 1 35 35 TYR HE1 H 1 6.426 0.000 . 1 . . . A 106 TYR HE1 . 34046 1 381 . 1 1 35 35 TYR HE2 H 1 6.426 0.000 . 1 . . . A 106 TYR HE2 . 34046 1 382 . 1 1 35 35 TYR C C 13 174.207 0.000 . 1 . . . A 106 TYR C . 34046 1 383 . 1 1 35 35 TYR CA C 13 57.282 0.000 . 1 . . . A 106 TYR CA . 34046 1 384 . 1 1 35 35 TYR CB C 13 41.301 0.000 . 1 . . . A 106 TYR CB . 34046 1 385 . 1 1 35 35 TYR CD1 C 13 133.280 0.000 . 1 . . . A 106 TYR CD1 . 34046 1 386 . 1 1 35 35 TYR CD2 C 13 133.280 0.000 . 1 . . . A 106 TYR CD2 . 34046 1 387 . 1 1 35 35 TYR CE1 C 13 117.016 0.000 . 1 . . . A 106 TYR CE1 . 34046 1 388 . 1 1 35 35 TYR CE2 C 13 117.016 0.000 . 1 . . . A 106 TYR CE2 . 34046 1 389 . 1 1 35 35 TYR N N 15 118.570 0.000 . 1 . . . A 106 TYR N . 34046 1 390 . 1 1 36 36 ALA H H 1 8.072 0.000 . 1 . . . A 107 ALA H . 34046 1 391 . 1 1 36 36 ALA HA H 1 4.822 0.000 . 1 . . . A 107 ALA HA . 34046 1 392 . 1 1 36 36 ALA HB1 H 1 1.215 0.000 . 1 . . . A 107 ALA HB1 . 34046 1 393 . 1 1 36 36 ALA HB2 H 1 1.215 0.000 . 1 . . . A 107 ALA HB2 . 34046 1 394 . 1 1 36 36 ALA HB3 H 1 1.215 0.000 . 1 . . . A 107 ALA HB3 . 34046 1 395 . 1 1 36 36 ALA C C 13 175.915 0.000 . 1 . . . A 107 ALA C . 34046 1 396 . 1 1 36 36 ALA CA C 13 51.161 0.000 . 1 . . . A 107 ALA CA . 34046 1 397 . 1 1 36 36 ALA CB C 13 20.826 0.000 . 1 . . . A 107 ALA CB . 34046 1 398 . 1 1 36 36 ALA N N 15 124.933 0.000 . 1 . . . A 107 ALA N . 34046 1 399 . 1 1 37 37 TRP H H 1 9.401 0.000 . 1 . . . A 108 TRP H . 34046 1 400 . 1 1 37 37 TRP HA H 1 5.018 0.000 . 1 . . . A 108 TRP HA . 34046 1 401 . 1 1 37 37 TRP HB2 H 1 2.893 0.000 . 1 . . . A 108 TRP HB2 . 34046 1 402 . 1 1 37 37 TRP HB3 H 1 2.893 0.000 . 1 . . . A 108 TRP HB3 . 34046 1 403 . 1 1 37 37 TRP HD1 H 1 6.959 0.000 . 1 . . . A 108 TRP HD1 . 34046 1 404 . 1 1 37 37 TRP HE1 H 1 10.734 0.000 . 1 . . . A 108 TRP HE1 . 34046 1 405 . 1 1 37 37 TRP HE3 H 1 7.107 0.000 . 1 . . . A 108 TRP HE3 . 34046 1 406 . 1 1 37 37 TRP HZ2 H 1 7.124 0.000 . 1 . . . A 108 TRP HZ2 . 34046 1 407 . 1 1 37 37 TRP HZ3 H 1 6.602 0.000 . 1 . . . A 108 TRP HZ3 . 34046 1 408 . 1 1 37 37 TRP HH2 H 1 6.623 0.000 . 1 . . . A 108 TRP HH2 . 34046 1 409 . 1 1 37 37 TRP C C 13 177.489 0.000 . 1 . . . A 108 TRP C . 34046 1 410 . 1 1 37 37 TRP CA C 13 57.329 0.000 . 1 . . . A 108 TRP CA . 34046 1 411 . 1 1 37 37 TRP CB C 13 31.710 0.000 . 1 . . . A 108 TRP CB . 34046 1 412 . 1 1 37 37 TRP CD1 C 13 126.365 0.000 . 1 . . . A 108 TRP CD1 . 34046 1 413 . 1 1 37 37 TRP CE3 C 13 118.690 0.000 . 1 . . . A 108 TRP CE3 . 34046 1 414 . 1 1 37 37 TRP CZ2 C 13 114.798 0.000 . 1 . . . A 108 TRP CZ2 . 34046 1 415 . 1 1 37 37 TRP CZ3 C 13 123.919 0.000 . 1 . . . A 108 TRP CZ3 . 34046 1 416 . 1 1 37 37 TRP CH2 C 13 120.724 0.000 . 1 . . . A 108 TRP CH2 . 34046 1 417 . 1 1 37 37 TRP N N 15 127.378 0.000 . 1 . . . A 108 TRP N . 34046 1 418 . 1 1 37 37 TRP NE1 N 15 130.597 0.000 . 1 . . . A 108 TRP NE1 . 34046 1 419 . 1 1 38 38 THR H H 1 9.417 0.000 . 1 . . . A 109 THR H . 34046 1 420 . 1 1 38 38 THR HA H 1 4.872 0.000 . 1 . . . A 109 THR HA . 34046 1 421 . 1 1 38 38 THR HB H 1 3.399 0.000 . 1 . . . A 109 THR HB . 34046 1 422 . 1 1 38 38 THR HG21 H 1 0.703 0.000 . 1 . . . A 109 THR HG21 . 34046 1 423 . 1 1 38 38 THR HG22 H 1 0.703 0.000 . 1 . . . A 109 THR HG22 . 34046 1 424 . 1 1 38 38 THR HG23 H 1 0.703 0.000 . 1 . . . A 109 THR HG23 . 34046 1 425 . 1 1 38 38 THR C C 13 172.378 0.000 . 1 . . . A 109 THR C . 34046 1 426 . 1 1 38 38 THR CA C 13 59.721 0.000 . 1 . . . A 109 THR CA . 34046 1 427 . 1 1 38 38 THR CB C 13 72.942 0.000 . 1 . . . A 109 THR CB . 34046 1 428 . 1 1 38 38 THR CG2 C 13 21.003 0.000 . 1 . . . A 109 THR CG2 . 34046 1 429 . 1 1 38 38 THR N N 15 113.827 0.000 . 1 . . . A 109 THR N . 34046 1 430 . 1 1 39 39 LYS H H 1 8.528 0.000 . 1 . . . A 110 LYS H . 34046 1 431 . 1 1 39 39 LYS HA H 1 4.315 0.000 . 1 . . . A 110 LYS HA . 34046 1 432 . 1 1 39 39 LYS HB2 H 1 1.357 0.000 . 2 . . . A 110 LYS HB2 . 34046 1 433 . 1 1 39 39 LYS HB3 H 1 0.927 0.000 . 2 . . . A 110 LYS HB3 . 34046 1 434 . 1 1 39 39 LYS C C 13 176.542 0.000 . 1 . . . A 110 LYS C . 34046 1 435 . 1 1 39 39 LYS CA C 13 54.423 0.000 . 1 . . . A 110 LYS CA . 34046 1 436 . 1 1 39 39 LYS CB C 13 34.344 0.000 . 1 . . . A 110 LYS CB . 34046 1 437 . 1 1 39 39 LYS N N 15 120.269 0.000 . 1 . . . A 110 LYS N . 34046 1 438 . 1 1 40 40 ASP H H 1 9.853 0.000 . 1 . . . A 111 ASP H . 34046 1 439 . 1 1 40 40 ASP HA H 1 4.199 0.000 . 1 . . . A 111 ASP HA . 34046 1 440 . 1 1 40 40 ASP HB2 H 1 2.785 0.000 . 2 . . . A 111 ASP HB2 . 34046 1 441 . 1 1 40 40 ASP HB3 H 1 2.620 0.000 . 2 . . . A 111 ASP HB3 . 34046 1 442 . 1 1 40 40 ASP C C 13 176.215 0.000 . 1 . . . A 111 ASP C . 34046 1 443 . 1 1 40 40 ASP CA C 13 55.745 0.000 . 1 . . . A 111 ASP CA . 34046 1 444 . 1 1 40 40 ASP CB C 13 39.667 0.000 . 1 . . . A 111 ASP CB . 34046 1 445 . 1 1 40 40 ASP N N 15 128.915 0.000 . 1 . . . A 111 ASP N . 34046 1 446 . 1 1 41 41 GLY H H 1 8.304 0.000 . 1 . . . A 112 GLY H . 34046 1 447 . 1 1 41 41 GLY HA2 H 1 4.146 0.000 . 2 . . . A 112 GLY HA2 . 34046 1 448 . 1 1 41 41 GLY HA3 H 1 3.415 0.000 . 2 . . . A 112 GLY HA3 . 34046 1 449 . 1 1 41 41 GLY C C 13 173.819 0.000 . 1 . . . A 112 GLY C . 34046 1 450 . 1 1 41 41 GLY CA C 13 45.020 0.000 . 1 . . . A 112 GLY CA . 34046 1 451 . 1 1 41 41 GLY N N 15 101.936 0.000 . 1 . . . A 112 GLY N . 34046 1 452 . 1 1 42 42 SER H H 1 7.828 0.000 . 1 . . . A 113 SER H . 34046 1 453 . 1 1 42 42 SER HA H 1 4.971 0.000 . 1 . . . A 113 SER HA . 34046 1 454 . 1 1 42 42 SER HB2 H 1 3.666 0.000 . 2 . . . A 113 SER HB2 . 34046 1 455 . 1 1 42 42 SER HB3 H 1 3.795 0.000 . 2 . . . A 113 SER HB3 . 34046 1 456 . 1 1 42 42 SER C C 13 171.392 0.000 . 1 . . . A 113 SER C . 34046 1 457 . 1 1 42 42 SER CA C 13 55.899 0.000 . 1 . . . A 113 SER CA . 34046 1 458 . 1 1 42 42 SER CB C 13 63.817 0.000 . 1 . . . A 113 SER CB . 34046 1 459 . 1 1 42 42 SER N N 15 118.028 0.000 . 1 . . . A 113 SER N . 34046 1 460 . 1 1 43 43 PRO HA H 1 4.519 0.000 . 1 . . . A 114 PRO HA . 34046 1 461 . 1 1 43 43 PRO HB2 H 1 2.310 0.000 . 2 . . . A 114 PRO HB2 . 34046 1 462 . 1 1 43 43 PRO HB3 H 1 1.675 0.000 . 2 . . . A 114 PRO HB3 . 34046 1 463 . 1 1 43 43 PRO HG2 H 1 1.856 0.000 . 2 . . . A 114 PRO HG2 . 34046 1 464 . 1 1 43 43 PRO HG3 H 1 2.003 0.000 . 2 . . . A 114 PRO HG3 . 34046 1 465 . 1 1 43 43 PRO HD2 H 1 3.893 0.000 . 2 . . . A 114 PRO HD2 . 34046 1 466 . 1 1 43 43 PRO HD3 H 1 3.623 0.000 . 2 . . . A 114 PRO HD3 . 34046 1 467 . 1 1 43 43 PRO C C 13 176.824 0.000 . 1 . . . A 114 PRO C . 34046 1 468 . 1 1 43 43 PRO CA C 13 63.287 0.000 . 1 . . . A 114 PRO CA . 34046 1 469 . 1 1 43 43 PRO CB C 13 32.570 0.000 . 1 . . . A 114 PRO CB . 34046 1 470 . 1 1 43 43 PRO CG C 13 27.265 0.000 . 1 . . . A 114 PRO CG . 34046 1 471 . 1 1 44 44 ILE H H 1 7.930 0.000 . 1 . . . A 115 ILE H . 34046 1 472 . 1 1 44 44 ILE HA H 1 4.341 0.000 . 1 . . . A 115 ILE HA . 34046 1 473 . 1 1 44 44 ILE HB H 1 1.526 0.000 . 1 . . . A 115 ILE HB . 34046 1 474 . 1 1 44 44 ILE HG12 H 1 0.752 0.000 . 2 . . . A 115 ILE HG12 . 34046 1 475 . 1 1 44 44 ILE HG13 H 1 1.244 0.000 . 2 . . . A 115 ILE HG13 . 34046 1 476 . 1 1 44 44 ILE HG21 H 1 0.703 0.000 . 1 . . . A 115 ILE HG21 . 34046 1 477 . 1 1 44 44 ILE HG22 H 1 0.703 0.000 . 1 . . . A 115 ILE HG22 . 34046 1 478 . 1 1 44 44 ILE HG23 H 1 0.703 0.000 . 1 . . . A 115 ILE HG23 . 34046 1 479 . 1 1 44 44 ILE HD11 H 1 0.328 0.000 . 1 . . . A 115 ILE HD11 . 34046 1 480 . 1 1 44 44 ILE HD12 H 1 0.328 0.000 . 1 . . . A 115 ILE HD12 . 34046 1 481 . 1 1 44 44 ILE HD13 H 1 0.328 0.000 . 1 . . . A 115 ILE HD13 . 34046 1 482 . 1 1 44 44 ILE C C 13 175.292 0.000 . 1 . . . A 115 ILE C . 34046 1 483 . 1 1 44 44 ILE CA C 13 59.142 0.000 . 1 . . . A 115 ILE CA . 34046 1 484 . 1 1 44 44 ILE CB C 13 38.320 0.000 . 1 . . . A 115 ILE CB . 34046 1 485 . 1 1 44 44 ILE CG1 C 13 26.465 0.000 . 1 . . . A 115 ILE CG1 . 34046 1 486 . 1 1 44 44 ILE CG2 C 13 17.239 0.000 . 1 . . . A 115 ILE CG2 . 34046 1 487 . 1 1 44 44 ILE CD1 C 13 13.231 0.000 . 1 . . . A 115 ILE CD1 . 34046 1 488 . 1 1 44 44 ILE N N 15 124.852 0.000 . 1 . . . A 115 ILE N . 34046 1 489 . 1 1 45 45 PRO HA H 1 4.261 0.000 . 1 . . . A 116 PRO HA . 34046 1 490 . 1 1 45 45 PRO HB2 H 1 1.829 0.000 . 2 . . . A 116 PRO HB2 . 34046 1 491 . 1 1 45 45 PRO HB3 H 1 2.207 0.000 . 2 . . . A 116 PRO HB3 . 34046 1 492 . 1 1 45 45 PRO HG2 H 1 1.983 0.000 . 2 . . . A 116 PRO HG2 . 34046 1 493 . 1 1 45 45 PRO HG3 H 1 1.902 0.000 . 2 . . . A 116 PRO HG3 . 34046 1 494 . 1 1 45 45 PRO HD2 H 1 3.952 0.000 . 2 . . . A 116 PRO HD2 . 34046 1 495 . 1 1 45 45 PRO HD3 H 1 3.681 0.000 . 2 . . . A 116 PRO HD3 . 34046 1 496 . 1 1 45 45 PRO C C 13 176.841 0.000 . 1 . . . A 116 PRO C . 34046 1 497 . 1 1 45 45 PRO CA C 13 64.148 0.000 . 1 . . . A 116 PRO CA . 34046 1 498 . 1 1 45 45 PRO CB C 13 32.063 0.000 . 1 . . . A 116 PRO CB . 34046 1 499 . 1 1 45 45 PRO CG C 13 27.010 0.000 . 1 . . . A 116 PRO CG . 34046 1 500 . 1 1 45 45 PRO CD C 13 51.193 0.000 . 1 . . . A 116 PRO CD . 34046 1 501 . 1 1 46 46 ASP H H 1 8.556 0.000 . 1 . . . A 117 ASP H . 34046 1 502 . 1 1 46 46 ASP HA H 1 4.338 0.000 . 1 . . . A 117 ASP HA . 34046 1 503 . 1 1 46 46 ASP HB2 H 1 2.726 0.000 . 1 . . . A 117 ASP HB2 . 34046 1 504 . 1 1 46 46 ASP HB3 H 1 2.726 0.000 . 1 . . . A 117 ASP HB3 . 34046 1 505 . 1 1 46 46 ASP C C 13 174.681 0.000 . 1 . . . A 117 ASP C . 34046 1 506 . 1 1 46 46 ASP CA C 13 54.966 0.000 . 1 . . . A 117 ASP CA . 34046 1 507 . 1 1 46 46 ASP CB C 13 39.727 0.000 . 1 . . . A 117 ASP CB . 34046 1 508 . 1 1 46 46 ASP N N 15 115.346 0.000 . 1 . . . A 117 ASP N . 34046 1 509 . 1 1 47 47 ALA H H 1 7.285 0.000 . 1 . . . A 118 ALA H . 34046 1 510 . 1 1 47 47 ALA HA H 1 4.656 0.000 . 1 . . . A 118 ALA HA . 34046 1 511 . 1 1 47 47 ALA HB1 H 1 1.108 0.000 . 1 . . . A 118 ALA HB1 . 34046 1 512 . 1 1 47 47 ALA HB2 H 1 1.108 0.000 . 1 . . . A 118 ALA HB2 . 34046 1 513 . 1 1 47 47 ALA HB3 H 1 1.108 0.000 . 1 . . . A 118 ALA HB3 . 34046 1 514 . 1 1 47 47 ALA C C 13 176.395 0.000 . 1 . . . A 118 ALA C . 34046 1 515 . 1 1 47 47 ALA CA C 13 51.675 0.000 . 1 . . . A 118 ALA CA . 34046 1 516 . 1 1 47 47 ALA CB C 13 18.727 0.000 . 1 . . . A 118 ALA CB . 34046 1 517 . 1 1 47 47 ALA N N 15 122.977 0.000 . 1 . . . A 118 ALA N . 34046 1 518 . 1 1 48 48 SER H H 1 8.539 0.000 . 1 . . . A 119 SER H . 34046 1 519 . 1 1 48 48 SER HA H 1 5.130 0.000 . 1 . . . A 119 SER HA . 34046 1 520 . 1 1 48 48 SER HB2 H 1 3.859 0.000 . 2 . . . A 119 SER HB2 . 34046 1 521 . 1 1 48 48 SER HB3 H 1 4.099 0.000 . 2 . . . A 119 SER HB3 . 34046 1 522 . 1 1 48 48 SER C C 13 174.566 0.000 . 1 . . . A 119 SER C . 34046 1 523 . 1 1 48 48 SER CA C 13 57.375 0.000 . 1 . . . A 119 SER CA . 34046 1 524 . 1 1 48 48 SER CB C 13 64.831 0.000 . 1 . . . A 119 SER CB . 34046 1 525 . 1 1 48 48 SER N N 15 117.224 0.000 . 1 . . . A 119 SER N . 34046 1 526 . 1 1 49 49 GLY H H 1 8.832 0.000 . 1 . . . A 120 GLY H . 34046 1 527 . 1 1 49 49 GLY C C 13 171.543 0.000 . 1 . . . A 120 GLY C . 34046 1 528 . 1 1 49 49 GLY CA C 13 43.993 0.000 . 1 . . . A 120 GLY CA . 34046 1 529 . 1 1 49 49 GLY N N 15 112.182 0.000 . 1 . . . A 120 GLY N . 34046 1 530 . 1 1 50 50 ALA H H 1 7.696 0.000 . 1 . . . A 121 ALA H . 34046 1 531 . 1 1 50 50 ALA HA H 1 3.144 0.000 . 1 . . . A 121 ALA HA . 34046 1 532 . 1 1 50 50 ALA HB1 H 1 1.120 0.000 . 1 . . . A 121 ALA HB1 . 34046 1 533 . 1 1 50 50 ALA HB2 H 1 1.120 0.000 . 1 . . . A 121 ALA HB2 . 34046 1 534 . 1 1 50 50 ALA HB3 H 1 1.120 0.000 . 1 . . . A 121 ALA HB3 . 34046 1 535 . 1 1 50 50 ALA C C 13 176.060 0.000 . 1 . . . A 121 ALA C . 34046 1 536 . 1 1 50 50 ALA CA C 13 53.604 0.000 . 1 . . . A 121 ALA CA . 34046 1 537 . 1 1 50 50 ALA CB C 13 18.810 0.000 . 1 . . . A 121 ALA CB . 34046 1 538 . 1 1 50 50 ALA N N 15 119.850 0.000 . 1 . . . A 121 ALA N . 34046 1 539 . 1 1 51 51 THR H H 1 7.232 0.000 . 1 . . . A 122 THR H . 34046 1 540 . 1 1 51 51 THR HA H 1 5.115 0.000 . 1 . . . A 122 THR HA . 34046 1 541 . 1 1 51 51 THR HB H 1 3.618 0.000 . 1 . . . A 122 THR HB . 34046 1 542 . 1 1 51 51 THR HG21 H 1 0.798 0.000 . 1 . . . A 122 THR HG21 . 34046 1 543 . 1 1 51 51 THR HG22 H 1 0.798 0.000 . 1 . . . A 122 THR HG22 . 34046 1 544 . 1 1 51 51 THR HG23 H 1 0.798 0.000 . 1 . . . A 122 THR HG23 . 34046 1 545 . 1 1 51 51 THR C C 13 173.297 0.000 . 1 . . . A 122 THR C . 34046 1 546 . 1 1 51 51 THR CA C 13 60.329 0.000 . 1 . . . A 122 THR CA . 34046 1 547 . 1 1 51 51 THR CB C 13 71.345 0.000 . 1 . . . A 122 THR CB . 34046 1 548 . 1 1 51 51 THR CG2 C 13 21.556 0.000 . 1 . . . A 122 THR CG2 . 34046 1 549 . 1 1 51 51 THR N N 15 109.149 0.000 . 1 . . . A 122 THR N . 34046 1 550 . 1 1 52 52 TYR H H 1 8.993 0.000 . 1 . . . A 123 TYR H . 34046 1 551 . 1 1 52 52 TYR HA H 1 4.126 0.000 . 1 . . . A 123 TYR HA . 34046 1 552 . 1 1 52 52 TYR HB2 H 1 1.064 0.000 . 2 . . . A 123 TYR HB2 . 34046 1 553 . 1 1 52 52 TYR HB3 H 1 0.595 0.000 . 2 . . . A 123 TYR HB3 . 34046 1 554 . 1 1 52 52 TYR HD1 H 1 6.221 0.000 . 1 . . . A 123 TYR HD1 . 34046 1 555 . 1 1 52 52 TYR HD2 H 1 6.221 0.000 . 1 . . . A 123 TYR HD2 . 34046 1 556 . 1 1 52 52 TYR HE1 H 1 6.362 0.000 . 1 . . . A 123 TYR HE1 . 34046 1 557 . 1 1 52 52 TYR HE2 H 1 6.362 0.000 . 1 . . . A 123 TYR HE2 . 34046 1 558 . 1 1 52 52 TYR C C 13 172.477 0.000 . 1 . . . A 123 TYR C . 34046 1 559 . 1 1 52 52 TYR CA C 13 56.477 0.000 . 1 . . . A 123 TYR CA . 34046 1 560 . 1 1 52 52 TYR CB C 13 38.176 0.000 . 1 . . . A 123 TYR CB . 34046 1 561 . 1 1 52 52 TYR CD1 C 13 131.905 0.000 . 1 . . . A 123 TYR CD1 . 34046 1 562 . 1 1 52 52 TYR CD2 C 13 131.905 0.000 . 1 . . . A 123 TYR CD2 . 34046 1 563 . 1 1 52 52 TYR CE1 C 13 116.879 0.000 . 1 . . . A 123 TYR CE1 . 34046 1 564 . 1 1 52 52 TYR CE2 C 13 116.879 0.000 . 1 . . . A 123 TYR CE2 . 34046 1 565 . 1 1 52 52 TYR N N 15 130.371 0.000 . 1 . . . A 123 TYR N . 34046 1 566 . 1 1 53 53 THR H H 1 7.354 0.000 . 1 . . . A 124 THR H . 34046 1 567 . 1 1 53 53 THR HA H 1 4.994 0.000 . 1 . . . A 124 THR HA . 34046 1 568 . 1 1 53 53 THR HB H 1 3.356 0.000 . 1 . . . A 124 THR HB . 34046 1 569 . 1 1 53 53 THR HG21 H 1 0.635 0.000 . 1 . . . A 124 THR HG21 . 34046 1 570 . 1 1 53 53 THR HG22 H 1 0.635 0.000 . 1 . . . A 124 THR HG22 . 34046 1 571 . 1 1 53 53 THR HG23 H 1 0.635 0.000 . 1 . . . A 124 THR HG23 . 34046 1 572 . 1 1 53 53 THR C C 13 172.107 0.000 . 1 . . . A 124 THR C . 34046 1 573 . 1 1 53 53 THR CA C 13 58.721 0.000 . 1 . . . A 124 THR CA . 34046 1 574 . 1 1 53 53 THR CB C 13 71.024 0.000 . 1 . . . A 124 THR CB . 34046 1 575 . 1 1 53 53 THR CG2 C 13 19.835 0.000 . 1 . . . A 124 THR CG2 . 34046 1 576 . 1 1 53 53 THR N N 15 121.484 0.000 . 1 . . . A 124 THR N . 34046 1 577 . 1 1 54 54 LYS H H 1 8.599 0.000 . 1 . . . A 125 LYS H . 34046 1 578 . 1 1 54 54 LYS HA H 1 4.480 0.000 . 1 . . . A 125 LYS HA . 34046 1 579 . 1 1 54 54 LYS HB2 H 1 1.369 0.000 . 2 . . . A 125 LYS HB2 . 34046 1 580 . 1 1 54 54 LYS HB3 H 1 1.587 0.000 . 2 . . . A 125 LYS HB3 . 34046 1 581 . 1 1 54 54 LYS HG2 H 1 1.168 0.000 . 2 . . . A 125 LYS HG2 . 34046 1 582 . 1 1 54 54 LYS HG3 H 1 1.083 0.000 . 2 . . . A 125 LYS HG3 . 34046 1 583 . 1 1 54 54 LYS HD2 H 1 1.561 0.000 . 2 . . . A 125 LYS HD2 . 34046 1 584 . 1 1 54 54 LYS HD3 H 1 1.484 0.000 . 2 . . . A 125 LYS HD3 . 34046 1 585 . 1 1 54 54 LYS HE2 H 1 2.962 0.000 . 1 . . . A 125 LYS HE2 . 34046 1 586 . 1 1 54 54 LYS HE3 H 1 2.962 0.000 . 1 . . . A 125 LYS HE3 . 34046 1 587 . 1 1 54 54 LYS C C 13 173.948 0.000 . 1 . . . A 125 LYS C . 34046 1 588 . 1 1 54 54 LYS CA C 13 51.764 0.000 . 1 . . . A 125 LYS CA . 34046 1 589 . 1 1 54 54 LYS CB C 13 33.954 0.000 . 1 . . . A 125 LYS CB . 34046 1 590 . 1 1 54 54 LYS CG C 13 23.833 0.000 . 1 . . . A 125 LYS CG . 34046 1 591 . 1 1 54 54 LYS CD C 13 28.526 0.000 . 1 . . . A 125 LYS CD . 34046 1 592 . 1 1 54 54 LYS CE C 13 41.751 0.000 . 1 . . . A 125 LYS CE . 34046 1 593 . 1 1 54 54 LYS N N 15 128.266 0.000 . 1 . . . A 125 LYS N . 34046 1 594 . 1 1 55 55 PRO HA H 1 3.875 0.000 . 1 . . . A 126 PRO HA . 34046 1 595 . 1 1 55 55 PRO HB2 H 1 1.762 0.000 . 2 . . . A 126 PRO HB2 . 34046 1 596 . 1 1 55 55 PRO HB3 H 1 2.085 0.000 . 2 . . . A 126 PRO HB3 . 34046 1 597 . 1 1 55 55 PRO HG2 H 1 1.874 0.000 . 1 . . . A 126 PRO HG2 . 34046 1 598 . 1 1 55 55 PRO HG3 H 1 1.874 0.000 . 1 . . . A 126 PRO HG3 . 34046 1 599 . 1 1 55 55 PRO HD2 H 1 3.619 0.000 . 1 . . . A 126 PRO HD2 . 34046 1 600 . 1 1 55 55 PRO HD3 H 1 3.619 0.000 . 1 . . . A 126 PRO HD3 . 34046 1 601 . 1 1 55 55 PRO C C 13 175.736 0.000 . 1 . . . A 126 PRO C . 34046 1 602 . 1 1 55 55 PRO CA C 13 64.837 0.000 . 1 . . . A 126 PRO CA . 34046 1 603 . 1 1 55 55 PRO CB C 13 32.286 0.000 . 1 . . . A 126 PRO CB . 34046 1 604 . 1 1 55 55 PRO CG C 13 27.124 0.000 . 1 . . . A 126 PRO CG . 34046 1 605 . 1 1 55 55 PRO CD C 13 50.764 0.000 . 1 . . . A 126 PRO CD . 34046 1 606 . 1 1 56 56 THR H H 1 7.322 0.000 . 1 . . . A 127 THR H . 34046 1 607 . 1 1 56 56 THR HA H 1 3.781 0.000 . 1 . . . A 127 THR HA . 34046 1 608 . 1 1 56 56 THR HB H 1 3.795 0.000 . 1 . . . A 127 THR HB . 34046 1 609 . 1 1 56 56 THR HG21 H 1 0.925 0.000 . 1 . . . A 127 THR HG21 . 34046 1 610 . 1 1 56 56 THR HG22 H 1 0.925 0.000 . 1 . . . A 127 THR HG22 . 34046 1 611 . 1 1 56 56 THR HG23 H 1 0.925 0.000 . 1 . . . A 127 THR HG23 . 34046 1 612 . 1 1 56 56 THR C C 13 173.899 0.000 . 1 . . . A 127 THR C . 34046 1 613 . 1 1 56 56 THR CA C 13 58.203 0.000 . 1 . . . A 127 THR CA . 34046 1 614 . 1 1 56 56 THR CB C 13 70.145 0.000 . 1 . . . A 127 THR CB . 34046 1 615 . 1 1 56 56 THR CG2 C 13 21.596 0.000 . 1 . . . A 127 THR CG2 . 34046 1 616 . 1 1 56 56 THR N N 15 108.448 0.000 . 1 . . . A 127 THR N . 34046 1 617 . 1 1 57 57 ALA H H 1 8.962 0.000 . 1 . . . A 128 ALA H . 34046 1 618 . 1 1 57 57 ALA HA H 1 4.127 0.000 . 1 . . . A 128 ALA HA . 34046 1 619 . 1 1 57 57 ALA HB1 H 1 1.164 0.000 . 1 . . . A 128 ALA HB1 . 34046 1 620 . 1 1 57 57 ALA HB2 H 1 1.164 0.000 . 1 . . . A 128 ALA HB2 . 34046 1 621 . 1 1 57 57 ALA HB3 H 1 1.164 0.000 . 1 . . . A 128 ALA HB3 . 34046 1 622 . 1 1 57 57 ALA C C 13 176.904 0.000 . 1 . . . A 128 ALA C . 34046 1 623 . 1 1 57 57 ALA CA C 13 52.796 0.000 . 1 . . . A 128 ALA CA . 34046 1 624 . 1 1 57 57 ALA CB C 13 19.278 0.000 . 1 . . . A 128 ALA CB . 34046 1 625 . 1 1 57 57 ALA N N 15 127.846 0.000 . 1 . . . A 128 ALA N . 34046 1 626 . 1 1 58 58 ALA H H 1 9.903 0.000 . 1 . . . A 129 ALA H . 34046 1 627 . 1 1 58 58 ALA HA H 1 4.628 0.000 . 1 . . . A 129 ALA HA . 34046 1 628 . 1 1 58 58 ALA HB1 H 1 1.361 0.000 . 1 . . . A 129 ALA HB1 . 34046 1 629 . 1 1 58 58 ALA HB2 H 1 1.361 0.000 . 1 . . . A 129 ALA HB2 . 34046 1 630 . 1 1 58 58 ALA HB3 H 1 1.361 0.000 . 1 . . . A 129 ALA HB3 . 34046 1 631 . 1 1 58 58 ALA C C 13 177.476 0.000 . 1 . . . A 129 ALA C . 34046 1 632 . 1 1 58 58 ALA CA C 13 49.755 0.000 . 1 . . . A 129 ALA CA . 34046 1 633 . 1 1 58 58 ALA CB C 13 22.520 0.000 . 1 . . . A 129 ALA CB . 34046 1 634 . 1 1 58 58 ALA N N 15 128.660 0.000 . 1 . . . A 129 ALA N . 34046 1 635 . 1 1 59 59 ALA H H 1 8.972 0.000 . 1 . . . A 130 ALA H . 34046 1 636 . 1 1 59 59 ALA HA H 1 3.751 0.000 . 1 . . . A 130 ALA HA . 34046 1 637 . 1 1 59 59 ALA HB1 H 1 1.320 0.000 . 1 . . . A 130 ALA HB1 . 34046 1 638 . 1 1 59 59 ALA HB2 H 1 1.320 0.000 . 1 . . . A 130 ALA HB2 . 34046 1 639 . 1 1 59 59 ALA HB3 H 1 1.320 0.000 . 1 . . . A 130 ALA HB3 . 34046 1 640 . 1 1 59 59 ALA C C 13 180.866 0.000 . 1 . . . A 130 ALA C . 34046 1 641 . 1 1 59 59 ALA CA C 13 56.255 0.000 . 1 . . . A 130 ALA CA . 34046 1 642 . 1 1 59 59 ALA CB C 13 18.060 0.000 . 1 . . . A 130 ALA CB . 34046 1 643 . 1 1 59 59 ALA N N 15 124.095 0.000 . 1 . . . A 130 ALA N . 34046 1 644 . 1 1 60 60 GLU H H 1 8.856 0.000 . 1 . . . A 131 GLU H . 34046 1 645 . 1 1 60 60 GLU HA H 1 4.089 0.000 . 1 . . . A 131 GLU HA . 34046 1 646 . 1 1 60 60 GLU HB2 H 1 1.955 0.000 . 1 . . . A 131 GLU HB2 . 34046 1 647 . 1 1 60 60 GLU HB3 H 1 1.955 0.000 . 1 . . . A 131 GLU HB3 . 34046 1 648 . 1 1 60 60 GLU HG2 H 1 2.096 0.000 . 2 . . . A 131 GLU HG2 . 34046 1 649 . 1 1 60 60 GLU HG3 H 1 2.139 0.000 . 2 . . . A 131 GLU HG3 . 34046 1 650 . 1 1 60 60 GLU C C 13 175.966 0.000 . 1 . . . A 131 GLU C . 34046 1 651 . 1 1 60 60 GLU CA C 13 58.151 0.000 . 1 . . . A 131 GLU CA . 34046 1 652 . 1 1 60 60 GLU CB C 13 28.337 0.000 . 1 . . . A 131 GLU CB . 34046 1 653 . 1 1 60 60 GLU CG C 13 35.894 0.000 . 1 . . . A 131 GLU CG . 34046 1 654 . 1 1 60 60 GLU N N 15 114.066 0.000 . 1 . . . A 131 GLU N . 34046 1 655 . 1 1 61 61 ASP H H 1 8.208 0.000 . 1 . . . A 132 ASP H . 34046 1 656 . 1 1 61 61 ASP HA H 1 4.439 0.000 . 1 . . . A 132 ASP HA . 34046 1 657 . 1 1 61 61 ASP HB2 H 1 2.471 0.000 . 2 . . . A 132 ASP HB2 . 34046 1 658 . 1 1 61 61 ASP HB3 H 1 2.752 0.000 . 2 . . . A 132 ASP HB3 . 34046 1 659 . 1 1 61 61 ASP C C 13 176.726 0.000 . 1 . . . A 132 ASP C . 34046 1 660 . 1 1 61 61 ASP CA C 13 55.542 0.000 . 1 . . . A 132 ASP CA . 34046 1 661 . 1 1 61 61 ASP CB C 13 41.370 0.000 . 1 . . . A 132 ASP CB . 34046 1 662 . 1 1 61 61 ASP N N 15 116.733 0.000 . 1 . . . A 132 ASP N . 34046 1 663 . 1 1 62 62 ALA H H 1 7.416 0.000 . 1 . . . A 133 ALA H . 34046 1 664 . 1 1 62 62 ALA HA H 1 4.029 0.000 . 1 . . . A 133 ALA HA . 34046 1 665 . 1 1 62 62 ALA HB1 H 1 1.529 0.000 . 1 . . . A 133 ALA HB1 . 34046 1 666 . 1 1 62 62 ALA HB2 H 1 1.529 0.000 . 1 . . . A 133 ALA HB2 . 34046 1 667 . 1 1 62 62 ALA HB3 H 1 1.529 0.000 . 1 . . . A 133 ALA HB3 . 34046 1 668 . 1 1 62 62 ALA C C 13 176.504 0.000 . 1 . . . A 133 ALA C . 34046 1 669 . 1 1 62 62 ALA CA C 13 53.155 0.000 . 1 . . . A 133 ALA CA . 34046 1 670 . 1 1 62 62 ALA CB C 13 19.622 0.000 . 1 . . . A 133 ALA CB . 34046 1 671 . 1 1 62 62 ALA N N 15 123.748 0.000 . 1 . . . A 133 ALA N . 34046 1 672 . 1 1 63 63 GLY H H 1 8.374 0.000 . 1 . . . A 134 GLY H . 34046 1 673 . 1 1 63 63 GLY HA2 H 1 4.337 0.000 . 2 . . . A 134 GLY HA2 . 34046 1 674 . 1 1 63 63 GLY HA3 H 1 3.944 0.000 . 2 . . . A 134 GLY HA3 . 34046 1 675 . 1 1 63 63 GLY C C 13 171.680 0.000 . 1 . . . A 134 GLY C . 34046 1 676 . 1 1 63 63 GLY CA C 13 44.937 0.000 . 1 . . . A 134 GLY CA . 34046 1 677 . 1 1 63 63 GLY N N 15 108.327 0.000 . 1 . . . A 134 GLY N . 34046 1 678 . 1 1 64 64 SER H H 1 8.926 0.000 . 1 . . . A 135 SER H . 34046 1 679 . 1 1 64 64 SER HA H 1 5.243 0.000 . 1 . . . A 135 SER HA . 34046 1 680 . 1 1 64 64 SER HB2 H 1 3.672 0.000 . 2 . . . A 135 SER HB2 . 34046 1 681 . 1 1 64 64 SER HB3 H 1 3.450 0.000 . 2 . . . A 135 SER HB3 . 34046 1 682 . 1 1 64 64 SER C C 13 174.698 0.000 . 1 . . . A 135 SER C . 34046 1 683 . 1 1 64 64 SER CA C 13 57.672 0.000 . 1 . . . A 135 SER CA . 34046 1 684 . 1 1 64 64 SER CB C 13 63.526 0.000 . 1 . . . A 135 SER CB . 34046 1 685 . 1 1 64 64 SER N N 15 116.724 0.000 . 1 . . . A 135 SER N . 34046 1 686 . 1 1 65 65 TYR H H 1 9.676 0.000 . 1 . . . A 136 TYR H . 34046 1 687 . 1 1 65 65 TYR HA H 1 5.377 0.000 . 1 . . . A 136 TYR HA . 34046 1 688 . 1 1 65 65 TYR HB2 H 1 2.671 0.000 . 2 . . . A 136 TYR HB2 . 34046 1 689 . 1 1 65 65 TYR HB3 H 1 2.884 0.000 . 2 . . . A 136 TYR HB3 . 34046 1 690 . 1 1 65 65 TYR HD1 H 1 6.905 0.000 . 1 . . . A 136 TYR HD1 . 34046 1 691 . 1 1 65 65 TYR HD2 H 1 6.905 0.000 . 1 . . . A 136 TYR HD2 . 34046 1 692 . 1 1 65 65 TYR HE1 H 1 6.515 0.000 . 1 . . . A 136 TYR HE1 . 34046 1 693 . 1 1 65 65 TYR HE2 H 1 6.515 0.000 . 1 . . . A 136 TYR HE2 . 34046 1 694 . 1 1 65 65 TYR C C 13 173.871 0.000 . 1 . . . A 136 TYR C . 34046 1 695 . 1 1 65 65 TYR CA C 13 57.350 0.000 . 1 . . . A 136 TYR CA . 34046 1 696 . 1 1 65 65 TYR CB C 13 43.078 0.000 . 1 . . . A 136 TYR CB . 34046 1 697 . 1 1 65 65 TYR CD1 C 13 133.681 0.000 . 1 . . . A 136 TYR CD1 . 34046 1 698 . 1 1 65 65 TYR CD2 C 13 133.681 0.000 . 1 . . . A 136 TYR CD2 . 34046 1 699 . 1 1 65 65 TYR CE1 C 13 116.523 0.000 . 1 . . . A 136 TYR CE1 . 34046 1 700 . 1 1 65 65 TYR CE2 C 13 116.523 0.000 . 1 . . . A 136 TYR CE2 . 34046 1 701 . 1 1 65 65 TYR N N 15 129.507 0.000 . 1 . . . A 136 TYR N . 34046 1 702 . 1 1 66 66 LYS H H 1 8.541 0.000 . 1 . . . A 137 LYS H . 34046 1 703 . 1 1 66 66 LYS HA H 1 4.185 0.000 . 1 . . . A 137 LYS HA . 34046 1 704 . 1 1 66 66 LYS HB2 H 1 1.372 0.000 . 2 . . . A 137 LYS HB2 . 34046 1 705 . 1 1 66 66 LYS HB3 H 1 1.461 0.000 . 2 . . . A 137 LYS HB3 . 34046 1 706 . 1 1 66 66 LYS HG2 H 1 0.937 0.000 . 2 . . . A 137 LYS HG2 . 34046 1 707 . 1 1 66 66 LYS HG3 H 1 1.122 0.000 . 2 . . . A 137 LYS HG3 . 34046 1 708 . 1 1 66 66 LYS HD2 H 1 1.271 0.000 . 1 . . . A 137 LYS HD2 . 34046 1 709 . 1 1 66 66 LYS HD3 H 1 1.271 0.000 . 1 . . . A 137 LYS HD3 . 34046 1 710 . 1 1 66 66 LYS HE2 H 1 2.598 0.000 . 2 . . . A 137 LYS HE2 . 34046 1 711 . 1 1 66 66 LYS HE3 H 1 2.477 0.000 . 2 . . . A 137 LYS HE3 . 34046 1 712 . 1 1 66 66 LYS C C 13 171.875 0.000 . 1 . . . A 137 LYS C . 34046 1 713 . 1 1 66 66 LYS CA C 13 55.648 0.000 . 1 . . . A 137 LYS CA . 34046 1 714 . 1 1 66 66 LYS CB C 13 36.174 0.000 . 1 . . . A 137 LYS CB . 34046 1 715 . 1 1 66 66 LYS CG C 13 23.095 0.000 . 1 . . . A 137 LYS CG . 34046 1 716 . 1 1 66 66 LYS CD C 13 28.988 0.000 . 1 . . . A 137 LYS CD . 34046 1 717 . 1 1 66 66 LYS CE C 13 41.999 0.000 . 1 . . . A 137 LYS CE . 34046 1 718 . 1 1 66 66 LYS N N 15 119.277 0.000 . 1 . . . A 137 LYS N . 34046 1 719 . 1 1 67 67 VAL H H 1 8.328 0.000 . 1 . . . A 138 VAL H . 34046 1 720 . 1 1 67 67 VAL HA H 1 4.568 0.000 . 1 . . . A 138 VAL HA . 34046 1 721 . 1 1 67 67 VAL HG11 H 1 0.185 0.000 . 1 . . . A 138 VAL HG11 . 34046 1 722 . 1 1 67 67 VAL HG12 H 1 0.185 0.000 . 1 . . . A 138 VAL HG12 . 34046 1 723 . 1 1 67 67 VAL HG13 H 1 0.185 0.000 . 1 . . . A 138 VAL HG13 . 34046 1 724 . 1 1 67 67 VAL HG21 H 1 0.185 0.000 . 1 . . . A 138 VAL HG21 . 34046 1 725 . 1 1 67 67 VAL HG22 H 1 0.185 0.000 . 1 . . . A 138 VAL HG22 . 34046 1 726 . 1 1 67 67 VAL HG23 H 1 0.185 0.000 . 1 . . . A 138 VAL HG23 . 34046 1 727 . 1 1 67 67 VAL C C 13 172.245 0.000 . 1 . . . A 138 VAL C . 34046 1 728 . 1 1 67 67 VAL CA C 13 57.392 0.000 . 1 . . . A 138 VAL CA . 34046 1 729 . 1 1 67 67 VAL CB C 13 33.547 0.000 . 1 . . . A 138 VAL CB . 34046 1 730 . 1 1 67 67 VAL CG1 C 13 20.749 0.000 . 2 . . . A 138 VAL CG1 . 34046 1 731 . 1 1 67 67 VAL CG2 C 13 21.092 0.000 . 2 . . . A 138 VAL CG2 . 34046 1 732 . 1 1 67 67 VAL N N 15 121.482 0.000 . 1 . . . A 138 VAL N . 34046 1 733 . 1 1 68 68 THR H H 1 8.320 0.000 . 1 . . . A 139 THR H . 34046 1 734 . 1 1 68 68 THR HA H 1 4.725 0.000 . 1 . . . A 139 THR HA . 34046 1 735 . 1 1 68 68 THR HB H 1 3.498 0.000 . 1 . . . A 139 THR HB . 34046 1 736 . 1 1 68 68 THR HG21 H 1 0.872 0.000 . 1 . . . A 139 THR HG21 . 34046 1 737 . 1 1 68 68 THR HG22 H 1 0.872 0.000 . 1 . . . A 139 THR HG22 . 34046 1 738 . 1 1 68 68 THR HG23 H 1 0.872 0.000 . 1 . . . A 139 THR HG23 . 34046 1 739 . 1 1 68 68 THR C C 13 174.545 0.000 . 1 . . . A 139 THR C . 34046 1 740 . 1 1 68 68 THR CA C 13 61.563 0.000 . 1 . . . A 139 THR CA . 34046 1 741 . 1 1 68 68 THR CB C 13 70.602 0.000 . 1 . . . A 139 THR CB . 34046 1 742 . 1 1 68 68 THR CG2 C 13 21.405 0.000 . 1 . . . A 139 THR CG2 . 34046 1 743 . 1 1 68 68 THR N N 15 123.519 0.000 . 1 . . . A 139 THR N . 34046 1 744 . 1 1 69 69 VAL H H 1 9.008 0.000 . 1 . . . A 140 VAL H . 34046 1 745 . 1 1 69 69 VAL HA H 1 4.430 0.000 . 1 . . . A 140 VAL HA . 34046 1 746 . 1 1 69 69 VAL HB H 1 1.591 0.000 . 1 . . . A 140 VAL HB . 34046 1 747 . 1 1 69 69 VAL HG11 H 1 0.572 0.000 . 2 . . . A 140 VAL HG11 . 34046 1 748 . 1 1 69 69 VAL HG12 H 1 0.572 0.000 . 2 . . . A 140 VAL HG12 . 34046 1 749 . 1 1 69 69 VAL HG13 H 1 0.572 0.000 . 2 . . . A 140 VAL HG13 . 34046 1 750 . 1 1 69 69 VAL HG21 H 1 0.283 0.000 . 2 . . . A 140 VAL HG21 . 34046 1 751 . 1 1 69 69 VAL HG22 H 1 0.283 0.000 . 2 . . . A 140 VAL HG22 . 34046 1 752 . 1 1 69 69 VAL HG23 H 1 0.283 0.000 . 2 . . . A 140 VAL HG23 . 34046 1 753 . 1 1 69 69 VAL C C 13 173.849 0.000 . 1 . . . A 140 VAL C . 34046 1 754 . 1 1 69 69 VAL CA C 13 60.267 0.000 . 1 . . . A 140 VAL CA . 34046 1 755 . 1 1 69 69 VAL CB C 13 32.917 0.000 . 1 . . . A 140 VAL CB . 34046 1 756 . 1 1 69 69 VAL CG1 C 13 21.733 0.000 . 2 . . . A 140 VAL CG1 . 34046 1 757 . 1 1 69 69 VAL CG2 C 13 20.572 0.000 . 2 . . . A 140 VAL CG2 . 34046 1 758 . 1 1 69 69 VAL N N 15 131.984 0.000 . 1 . . . A 140 VAL N . 34046 1 759 . 1 1 70 70 THR H H 1 8.548 0.000 . 1 . . . A 141 THR H . 34046 1 760 . 1 1 70 70 THR HA H 1 5.216 0.000 . 1 . . . A 141 THR HA . 34046 1 761 . 1 1 70 70 THR HB H 1 3.471 0.000 . 1 . . . A 141 THR HB . 34046 1 762 . 1 1 70 70 THR HG21 H 1 1.062 0.000 . 1 . . . A 141 THR HG21 . 34046 1 763 . 1 1 70 70 THR HG22 H 1 1.062 0.000 . 1 . . . A 141 THR HG22 . 34046 1 764 . 1 1 70 70 THR HG23 H 1 1.062 0.000 . 1 . . . A 141 THR HG23 . 34046 1 765 . 1 1 70 70 THR C C 13 173.995 0.000 . 1 . . . A 141 THR C . 34046 1 766 . 1 1 70 70 THR CA C 13 60.688 0.000 . 1 . . . A 141 THR CA . 34046 1 767 . 1 1 70 70 THR CB C 13 70.617 0.000 . 1 . . . A 141 THR CB . 34046 1 768 . 1 1 70 70 THR CG2 C 13 20.908 0.000 . 1 . . . A 141 THR CG2 . 34046 1 769 . 1 1 70 70 THR N N 15 123.213 0.000 . 1 . . . A 141 THR N . 34046 1 770 . 1 1 71 71 ASP H H 1 9.138 0.000 . 1 . . . A 142 ASP H . 34046 1 771 . 1 1 71 71 ASP HA H 1 4.965 0.000 . 1 . . . A 142 ASP HA . 34046 1 772 . 1 1 71 71 ASP HB2 H 1 2.422 0.000 . 2 . . . A 142 ASP HB2 . 34046 1 773 . 1 1 71 71 ASP HB3 H 1 3.242 0.000 . 2 . . . A 142 ASP HB3 . 34046 1 774 . 1 1 71 71 ASP C C 13 178.518 0.000 . 1 . . . A 142 ASP C . 34046 1 775 . 1 1 71 71 ASP CA C 13 52.095 0.000 . 1 . . . A 142 ASP CA . 34046 1 776 . 1 1 71 71 ASP CB C 13 41.981 0.000 . 1 . . . A 142 ASP CB . 34046 1 777 . 1 1 71 71 ASP N N 15 128.447 0.000 . 1 . . . A 142 ASP N . 34046 1 778 . 1 1 72 72 SER H H 1 8.263 0.000 . 1 . . . A 143 SER H . 34046 1 779 . 1 1 72 72 SER HA H 1 4.168 0.000 . 1 . . . A 143 SER HA . 34046 1 780 . 1 1 72 72 SER HB2 H 1 3.755 0.000 . 2 . . . A 143 SER HB2 . 34046 1 781 . 1 1 72 72 SER HB3 H 1 3.650 0.000 . 2 . . . A 143 SER HB3 . 34046 1 782 . 1 1 72 72 SER C C 13 175.076 0.000 . 1 . . . A 143 SER C . 34046 1 783 . 1 1 72 72 SER CA C 13 61.112 0.000 . 1 . . . A 143 SER CA . 34046 1 784 . 1 1 72 72 SER CB C 13 63.335 0.000 . 1 . . . A 143 SER CB . 34046 1 785 . 1 1 72 72 SER N N 15 112.695 0.000 . 1 . . . A 143 SER N . 34046 1 786 . 1 1 73 73 LYS H H 1 8.270 0.000 . 1 . . . A 144 LYS H . 34046 1 787 . 1 1 73 73 LYS HA H 1 4.357 0.000 . 1 . . . A 144 LYS HA . 34046 1 788 . 1 1 73 73 LYS HB2 H 1 1.970 0.000 . 2 . . . A 144 LYS HB2 . 34046 1 789 . 1 1 73 73 LYS HB3 H 1 1.817 0.000 . 2 . . . A 144 LYS HB3 . 34046 1 790 . 1 1 73 73 LYS HG2 H 1 1.535 0.000 . 1 . . . A 144 LYS HG2 . 34046 1 791 . 1 1 73 73 LYS HG3 H 1 1.535 0.000 . 1 . . . A 144 LYS HG3 . 34046 1 792 . 1 1 73 73 LYS C C 13 175.469 0.000 . 1 . . . A 144 LYS C . 34046 1 793 . 1 1 73 73 LYS CA C 13 54.708 0.000 . 1 . . . A 144 LYS CA . 34046 1 794 . 1 1 73 73 LYS CB C 13 31.388 0.000 . 1 . . . A 144 LYS CB . 34046 1 795 . 1 1 73 73 LYS CG C 13 28.170 0.000 . 1 . . . A 144 LYS CG . 34046 1 796 . 1 1 73 73 LYS N N 15 122.571 0.000 . 1 . . . A 144 LYS N . 34046 1 797 . 1 1 74 74 GLN H H 1 7.777 0.000 . 1 . . . A 145 GLN H . 34046 1 798 . 1 1 74 74 GLN HA H 1 3.376 0.000 . 1 . . . A 145 GLN HA . 34046 1 799 . 1 1 74 74 GLN HB2 H 1 2.248 0.000 . 2 . . . A 145 GLN HB2 . 34046 1 800 . 1 1 74 74 GLN HB3 H 1 2.151 0.000 . 2 . . . A 145 GLN HB3 . 34046 1 801 . 1 1 74 74 GLN HG2 H 1 2.115 0.000 . 1 . . . A 145 GLN HG2 . 34046 1 802 . 1 1 74 74 GLN HG3 H 1 2.115 0.000 . 1 . . . A 145 GLN HG3 . 34046 1 803 . 1 1 74 74 GLN C C 13 174.943 0.000 . 1 . . . A 145 GLN C . 34046 1 804 . 1 1 74 74 GLN CA C 13 57.349 0.000 . 1 . . . A 145 GLN CA . 34046 1 805 . 1 1 74 74 GLN CB C 13 25.089 0.000 . 1 . . . A 145 GLN CB . 34046 1 806 . 1 1 74 74 GLN CG C 13 34.679 0.000 . 1 . . . A 145 GLN CG . 34046 1 807 . 1 1 74 74 GLN CD C 13 180.647 0.000 . 1 . . . A 145 GLN CD . 34046 1 808 . 1 1 74 74 GLN N N 15 111.134 0.000 . 1 . . . A 145 GLN N . 34046 1 809 . 1 1 74 74 GLN NE2 N 15 112.264 0.000 . 1 . . . A 145 GLN NE2 . 34046 1 810 . 1 1 75 75 VAL H H 1 8.318 0.000 . 1 . . . A 146 VAL H . 34046 1 811 . 1 1 75 75 VAL HA H 1 3.848 0.000 . 1 . . . A 146 VAL HA . 34046 1 812 . 1 1 75 75 VAL HB H 1 1.889 0.000 . 1 . . . A 146 VAL HB . 34046 1 813 . 1 1 75 75 VAL HG11 H 1 0.801 0.000 . 2 . . . A 146 VAL HG11 . 34046 1 814 . 1 1 75 75 VAL HG12 H 1 0.801 0.000 . 2 . . . A 146 VAL HG12 . 34046 1 815 . 1 1 75 75 VAL HG13 H 1 0.801 0.000 . 2 . . . A 146 VAL HG13 . 34046 1 816 . 1 1 75 75 VAL HG21 H 1 0.797 0.000 . 2 . . . A 146 VAL HG21 . 34046 1 817 . 1 1 75 75 VAL HG22 H 1 0.797 0.000 . 2 . . . A 146 VAL HG22 . 34046 1 818 . 1 1 75 75 VAL HG23 H 1 0.797 0.000 . 2 . . . A 146 VAL HG23 . 34046 1 819 . 1 1 75 75 VAL C C 13 174.894 0.000 . 1 . . . A 146 VAL C . 34046 1 820 . 1 1 75 75 VAL CA C 13 63.352 0.000 . 1 . . . A 146 VAL CA . 34046 1 821 . 1 1 75 75 VAL CB C 13 30.931 0.000 . 1 . . . A 146 VAL CB . 34046 1 822 . 1 1 75 75 VAL CG1 C 13 22.500 0.000 . 1 . . . A 146 VAL CG1 . 34046 1 823 . 1 1 75 75 VAL CG2 C 13 22.500 0.000 . 1 . . . A 146 VAL CG2 . 34046 1 824 . 1 1 75 75 VAL N N 15 124.282 0.000 . 1 . . . A 146 VAL N . 34046 1 825 . 1 1 76 76 SER H H 1 8.223 0.000 . 1 . . . A 147 SER H . 34046 1 826 . 1 1 76 76 SER HA H 1 5.764 0.000 . 1 . . . A 147 SER HA . 34046 1 827 . 1 1 76 76 SER HB2 H 1 3.308 0.000 . 2 . . . A 147 SER HB2 . 34046 1 828 . 1 1 76 76 SER HB3 H 1 3.376 0.000 . 2 . . . A 147 SER HB3 . 34046 1 829 . 1 1 76 76 SER C C 13 173.941 0.000 . 1 . . . A 147 SER C . 34046 1 830 . 1 1 76 76 SER CA C 13 56.549 0.000 . 1 . . . A 147 SER CA . 34046 1 831 . 1 1 76 76 SER CB C 13 67.032 0.000 . 1 . . . A 147 SER CB . 34046 1 832 . 1 1 76 76 SER N N 15 120.039 0.000 . 1 . . . A 147 SER N . 34046 1 833 . 1 1 77 77 LYS H H 1 9.000 0.000 . 1 . . . A 148 LYS H . 34046 1 834 . 1 1 77 77 LYS HA H 1 4.340 0.000 . 1 . . . A 148 LYS HA . 34046 1 835 . 1 1 77 77 LYS HB2 H 1 1.327 0.000 . 2 . . . A 148 LYS HB2 . 34046 1 836 . 1 1 77 77 LYS HB3 H 1 1.262 0.000 . 2 . . . A 148 LYS HB3 . 34046 1 837 . 1 1 77 77 LYS HG2 H 1 1.046 0.000 . 1 . . . A 148 LYS HG2 . 34046 1 838 . 1 1 77 77 LYS HG3 H 1 1.046 0.000 . 1 . . . A 148 LYS HG3 . 34046 1 839 . 1 1 77 77 LYS HD2 H 1 1.663 0.000 . 2 . . . A 148 LYS HD2 . 34046 1 840 . 1 1 77 77 LYS HD3 H 1 1.554 0.000 . 2 . . . A 148 LYS HD3 . 34046 1 841 . 1 1 77 77 LYS HE2 H 1 2.898 0.000 . 1 . . . A 148 LYS HE2 . 34046 1 842 . 1 1 77 77 LYS HE3 H 1 2.898 0.000 . 1 . . . A 148 LYS HE3 . 34046 1 843 . 1 1 77 77 LYS C C 13 173.750 0.000 . 1 . . . A 148 LYS C . 34046 1 844 . 1 1 77 77 LYS CA C 13 54.355 0.000 . 1 . . . A 148 LYS CA . 34046 1 845 . 1 1 77 77 LYS CB C 13 36.386 0.000 . 1 . . . A 148 LYS CB . 34046 1 846 . 1 1 77 77 LYS CG C 13 24.966 0.000 . 1 . . . A 148 LYS CG . 34046 1 847 . 1 1 77 77 LYS CD C 13 28.223 0.000 . 1 . . . A 148 LYS CD . 34046 1 848 . 1 1 77 77 LYS CE C 13 42.480 0.000 . 1 . . . A 148 LYS CE . 34046 1 849 . 1 1 77 77 LYS N N 15 123.553 0.000 . 1 . . . A 148 LYS N . 34046 1 850 . 1 1 78 78 ASP H H 1 8.495 0.000 . 1 . . . A 149 ASP H . 34046 1 851 . 1 1 78 78 ASP HA H 1 5.053 0.000 . 1 . . . A 149 ASP HA . 34046 1 852 . 1 1 78 78 ASP HB2 H 1 2.461 0.000 . 1 . . . A 149 ASP HB2 . 34046 1 853 . 1 1 78 78 ASP HB3 H 1 2.461 0.000 . 1 . . . A 149 ASP HB3 . 34046 1 854 . 1 1 78 78 ASP C C 13 176.925 0.000 . 1 . . . A 149 ASP C . 34046 1 855 . 1 1 78 78 ASP CA C 13 53.285 0.000 . 1 . . . A 149 ASP CA . 34046 1 856 . 1 1 78 78 ASP CB C 13 42.013 0.000 . 1 . . . A 149 ASP CB . 34046 1 857 . 1 1 78 78 ASP N N 15 125.795 0.000 . 1 . . . A 149 ASP N . 34046 1 858 . 1 1 79 79 SER H H 1 8.971 0.000 . 1 . . . A 150 SER H . 34046 1 859 . 1 1 79 79 SER HA H 1 4.272 0.000 . 1 . . . A 150 SER HA . 34046 1 860 . 1 1 79 79 SER HB2 H 1 4.477 0.000 . 2 . . . A 150 SER HB2 . 34046 1 861 . 1 1 79 79 SER HB3 H 1 3.687 0.000 . 2 . . . A 150 SER HB3 . 34046 1 862 . 1 1 79 79 SER C C 13 174.656 0.000 . 1 . . . A 150 SER C . 34046 1 863 . 1 1 79 79 SER CA C 13 58.146 0.000 . 1 . . . A 150 SER CA . 34046 1 864 . 1 1 79 79 SER CB C 13 66.289 0.000 . 1 . . . A 150 SER CB . 34046 1 865 . 1 1 79 79 SER N N 15 117.638 0.000 . 1 . . . A 150 SER N . 34046 1 866 . 1 1 80 80 THR H H 1 10.091 0.000 . 1 . . . A 151 THR H . 34046 1 867 . 1 1 80 80 THR HA H 1 3.858 0.000 . 1 . . . A 151 THR HA . 34046 1 868 . 1 1 80 80 THR HB H 1 3.796 0.000 . 1 . . . A 151 THR HB . 34046 1 869 . 1 1 80 80 THR HG21 H 1 0.864 0.000 . 1 . . . A 151 THR HG21 . 34046 1 870 . 1 1 80 80 THR HG22 H 1 0.864 0.000 . 1 . . . A 151 THR HG22 . 34046 1 871 . 1 1 80 80 THR HG23 H 1 0.864 0.000 . 1 . . . A 151 THR HG23 . 34046 1 872 . 1 1 80 80 THR C C 13 174.587 0.000 . 1 . . . A 151 THR C . 34046 1 873 . 1 1 80 80 THR CA C 13 65.527 0.000 . 1 . . . A 151 THR CA . 34046 1 874 . 1 1 80 80 THR CB C 13 70.071 0.000 . 1 . . . A 151 THR CB . 34046 1 875 . 1 1 80 80 THR CG2 C 13 20.186 0.000 . 1 . . . A 151 THR CG2 . 34046 1 876 . 1 1 80 80 THR N N 15 121.505 0.000 . 1 . . . A 151 THR N . 34046 1 877 . 1 1 81 81 THR H H 1 8.372 0.000 . 1 . . . A 152 THR H . 34046 1 878 . 1 1 81 81 THR HA H 1 4.451 0.000 . 1 . . . A 152 THR HA . 34046 1 879 . 1 1 81 81 THR HB H 1 3.911 0.000 . 1 . . . A 152 THR HB . 34046 1 880 . 1 1 81 81 THR HG21 H 1 0.891 0.000 . 1 . . . A 152 THR HG21 . 34046 1 881 . 1 1 81 81 THR HG22 H 1 0.891 0.000 . 1 . . . A 152 THR HG22 . 34046 1 882 . 1 1 81 81 THR HG23 H 1 0.891 0.000 . 1 . . . A 152 THR HG23 . 34046 1 883 . 1 1 81 81 THR C C 13 172.118 0.000 . 1 . . . A 152 THR C . 34046 1 884 . 1 1 81 81 THR CA C 13 63.139 0.000 . 1 . . . A 152 THR CA . 34046 1 885 . 1 1 81 81 THR CB C 13 68.843 0.000 . 1 . . . A 152 THR CB . 34046 1 886 . 1 1 81 81 THR CG2 C 13 21.880 0.000 . 1 . . . A 152 THR CG2 . 34046 1 887 . 1 1 81 81 THR N N 15 125.333 0.000 . 1 . . . A 152 THR N . 34046 1 888 . 1 1 82 82 CYS H H 1 9.540 0.000 . 1 . . . A 153 CYS H . 34046 1 889 . 1 1 82 82 CYS HA H 1 4.660 0.000 . 1 . . . A 153 CYS HA . 34046 1 890 . 1 1 82 82 CYS HB2 H 1 2.528 0.000 . 2 . . . A 153 CYS HB2 . 34046 1 891 . 1 1 82 82 CYS HB3 H 1 3.046 0.000 . 2 . . . A 153 CYS HB3 . 34046 1 892 . 1 1 82 82 CYS C C 13 174.668 0.000 . 1 . . . A 153 CYS C . 34046 1 893 . 1 1 82 82 CYS CA C 13 57.422 0.000 . 1 . . . A 153 CYS CA . 34046 1 894 . 1 1 82 82 CYS CB C 13 30.840 0.000 . 1 . . . A 153 CYS CB . 34046 1 895 . 1 1 82 82 CYS N N 15 129.586 0.000 . 1 . . . A 153 CYS N . 34046 1 896 . 1 1 83 83 ALA H H 1 8.503 0.000 . 1 . . . A 154 ALA H . 34046 1 897 . 1 1 83 83 ALA HA H 1 4.676 0.000 . 1 . . . A 154 ALA HA . 34046 1 898 . 1 1 83 83 ALA HB1 H 1 1.315 0.000 . 1 . . . A 154 ALA HB1 . 34046 1 899 . 1 1 83 83 ALA HB2 H 1 1.315 0.000 . 1 . . . A 154 ALA HB2 . 34046 1 900 . 1 1 83 83 ALA HB3 H 1 1.315 0.000 . 1 . . . A 154 ALA HB3 . 34046 1 901 . 1 1 83 83 ALA C C 13 176.182 0.000 . 1 . . . A 154 ALA C . 34046 1 902 . 1 1 83 83 ALA CA C 13 51.762 0.000 . 1 . . . A 154 ALA CA . 34046 1 903 . 1 1 83 83 ALA CB C 13 17.871 0.000 . 1 . . . A 154 ALA CB . 34046 1 904 . 1 1 83 83 ALA N N 15 134.057 0.000 . 1 . . . A 154 ALA N . 34046 1 905 . 1 1 84 84 VAL H H 1 9.574 0.000 . 1 . . . A 155 VAL H . 34046 1 906 . 1 1 84 84 VAL HA H 1 4.905 0.000 . 1 . . . A 155 VAL HA . 34046 1 907 . 1 1 84 84 VAL HB H 1 2.399 0.000 . 1 . . . A 155 VAL HB . 34046 1 908 . 1 1 84 84 VAL HG11 H 1 0.880 0.000 . 2 . . . A 155 VAL HG11 . 34046 1 909 . 1 1 84 84 VAL HG12 H 1 0.880 0.000 . 2 . . . A 155 VAL HG12 . 34046 1 910 . 1 1 84 84 VAL HG13 H 1 0.880 0.000 . 2 . . . A 155 VAL HG13 . 34046 1 911 . 1 1 84 84 VAL HG21 H 1 0.619 0.000 . 2 . . . A 155 VAL HG21 . 34046 1 912 . 1 1 84 84 VAL HG22 H 1 0.619 0.000 . 2 . . . A 155 VAL HG22 . 34046 1 913 . 1 1 84 84 VAL HG23 H 1 0.619 0.000 . 2 . . . A 155 VAL HG23 . 34046 1 914 . 1 1 84 84 VAL C C 13 177.523 0.000 . 1 . . . A 155 VAL C . 34046 1 915 . 1 1 84 84 VAL CA C 13 61.965 0.000 . 1 . . . A 155 VAL CA . 34046 1 916 . 1 1 84 84 VAL CB C 13 33.312 0.000 . 1 . . . A 155 VAL CB . 34046 1 917 . 1 1 84 84 VAL CG1 C 13 21.365 0.000 . 2 . . . A 155 VAL CG1 . 34046 1 918 . 1 1 84 84 VAL CG2 C 13 23.782 0.000 . 2 . . . A 155 VAL CG2 . 34046 1 919 . 1 1 84 84 VAL N N 15 130.893 0.000 . 1 . . . A 155 VAL N . 34046 1 920 . 1 1 85 85 THR H H 1 8.819 0.000 . 1 . . . A 156 THR H . 34046 1 921 . 1 1 85 85 THR HA H 1 4.433 0.000 . 1 . . . A 156 THR HA . 34046 1 922 . 1 1 85 85 THR HB H 1 3.945 0.000 . 1 . . . A 156 THR HB . 34046 1 923 . 1 1 85 85 THR HG21 H 1 1.058 0.000 . 1 . . . A 156 THR HG21 . 34046 1 924 . 1 1 85 85 THR HG22 H 1 1.058 0.000 . 1 . . . A 156 THR HG22 . 34046 1 925 . 1 1 85 85 THR HG23 H 1 1.058 0.000 . 1 . . . A 156 THR HG23 . 34046 1 926 . 1 1 85 85 THR C C 13 172.390 0.000 . 1 . . . A 156 THR C . 34046 1 927 . 1 1 85 85 THR CA C 13 61.052 0.000 . 1 . . . A 156 THR CA . 34046 1 928 . 1 1 85 85 THR CB C 13 70.991 0.000 . 1 . . . A 156 THR CB . 34046 1 929 . 1 1 85 85 THR CG2 C 13 21.601 0.000 . 1 . . . A 156 THR CG2 . 34046 1 930 . 1 1 85 85 THR N N 15 124.302 0.000 . 1 . . . A 156 THR N . 34046 1 931 . 1 1 86 86 VAL H H 1 8.275 0.000 . 1 . . . A 157 VAL H . 34046 1 932 . 1 1 86 86 VAL HA H 1 4.760 0.000 . 1 . . . A 157 VAL HA . 34046 1 933 . 1 1 86 86 VAL HB H 1 1.690 0.000 . 1 . . . A 157 VAL HB . 34046 1 934 . 1 1 86 86 VAL HG11 H 1 0.546 0.000 . 2 . . . A 157 VAL HG11 . 34046 1 935 . 1 1 86 86 VAL HG12 H 1 0.546 0.000 . 2 . . . A 157 VAL HG12 . 34046 1 936 . 1 1 86 86 VAL HG13 H 1 0.546 0.000 . 2 . . . A 157 VAL HG13 . 34046 1 937 . 1 1 86 86 VAL HG21 H 1 0.322 0.000 . 2 . . . A 157 VAL HG21 . 34046 1 938 . 1 1 86 86 VAL HG22 H 1 0.322 0.000 . 2 . . . A 157 VAL HG22 . 34046 1 939 . 1 1 86 86 VAL HG23 H 1 0.322 0.000 . 2 . . . A 157 VAL HG23 . 34046 1 940 . 1 1 86 86 VAL C C 13 175.764 0.000 . 1 . . . A 157 VAL C . 34046 1 941 . 1 1 86 86 VAL CA C 13 59.972 0.000 . 1 . . . A 157 VAL CA . 34046 1 942 . 1 1 86 86 VAL CB C 13 33.038 0.000 . 1 . . . A 157 VAL CB . 34046 1 943 . 1 1 86 86 VAL CG1 C 13 19.653 0.000 . 2 . . . A 157 VAL CG1 . 34046 1 944 . 1 1 86 86 VAL CG2 C 13 19.315 0.000 . 2 . . . A 157 VAL CG2 . 34046 1 945 . 1 1 86 86 VAL N N 15 124.017 0.000 . 1 . . . A 157 VAL N . 34046 1 946 . 1 1 87 87 ASN H H 1 8.960 0.000 . 1 . . . A 158 ASN H . 34046 1 947 . 1 1 87 87 ASN HA H 1 4.972 0.000 . 1 . . . A 158 ASN HA . 34046 1 948 . 1 1 87 87 ASN HB2 H 1 2.712 0.000 . 2 . . . A 158 ASN HB2 . 34046 1 949 . 1 1 87 87 ASN HB3 H 1 2.454 0.000 . 2 . . . A 158 ASN HB3 . 34046 1 950 . 1 1 87 87 ASN HD21 H 1 6.627 0.000 . 1 . . . A 158 ASN HD21 . 34046 1 951 . 1 1 87 87 ASN HD22 H 1 7.861 0.000 . 1 . . . A 158 ASN HD22 . 34046 1 952 . 1 1 87 87 ASN C C 13 172.598 0.000 . 1 . . . A 158 ASN C . 34046 1 953 . 1 1 87 87 ASN CA C 13 50.377 0.000 . 1 . . . A 158 ASN CA . 34046 1 954 . 1 1 87 87 ASN CB C 13 39.024 0.000 . 1 . . . A 158 ASN CB . 34046 1 955 . 1 1 87 87 ASN CG C 13 175.975 0.000 . 1 . . . A 158 ASN CG . 34046 1 956 . 1 1 87 87 ASN N N 15 128.536 0.000 . 1 . . . A 158 ASN N . 34046 1 957 . 1 1 87 87 ASN ND2 N 15 113.545 0.000 . 1 . . . A 158 ASN ND2 . 34046 1 958 . 1 1 88 88 PRO HA H 1 4.548 0.000 . 1 . . . A 159 PRO HA . 34046 1 959 . 1 1 88 88 PRO HB2 H 1 1.799 0.000 . 2 . . . A 159 PRO HB2 . 34046 1 960 . 1 1 88 88 PRO HB3 H 1 2.214 0.000 . 2 . . . A 159 PRO HB3 . 34046 1 961 . 1 1 88 88 PRO HG2 H 1 1.905 0.000 . 1 . . . A 159 PRO HG2 . 34046 1 962 . 1 1 88 88 PRO HG3 H 1 1.905 0.000 . 1 . . . A 159 PRO HG3 . 34046 1 963 . 1 1 88 88 PRO HD2 H 1 3.956 0.000 . 2 . . . A 159 PRO HD2 . 34046 1 964 . 1 1 88 88 PRO HD3 H 1 3.653 0.000 . 2 . . . A 159 PRO HD3 . 34046 1 965 . 1 1 88 88 PRO C C 13 176.869 0.000 . 1 . . . A 159 PRO C . 34046 1 966 . 1 1 88 88 PRO CA C 13 62.491 0.000 . 1 . . . A 159 PRO CA . 34046 1 967 . 1 1 88 88 PRO CB C 13 32.399 0.000 . 1 . . . A 159 PRO CB . 34046 1 968 . 1 1 88 88 PRO CG C 13 27.571 0.000 . 1 . . . A 159 PRO CG . 34046 1 969 . 1 1 88 88 PRO CD C 13 51.174 0.000 . 1 . . . A 159 PRO CD . 34046 1 970 . 1 1 89 89 THR H H 1 8.550 0.000 . 1 . . . A 160 THR H . 34046 1 971 . 1 1 89 89 THR HA H 1 4.092 0.000 . 1 . . . A 160 THR HA . 34046 1 972 . 1 1 89 89 THR HB H 1 3.877 0.000 . 1 . . . A 160 THR HB . 34046 1 973 . 1 1 89 89 THR HG21 H 1 1.075 0.000 . 1 . . . A 160 THR HG21 . 34046 1 974 . 1 1 89 89 THR HG22 H 1 1.075 0.000 . 1 . . . A 160 THR HG22 . 34046 1 975 . 1 1 89 89 THR HG23 H 1 1.075 0.000 . 1 . . . A 160 THR HG23 . 34046 1 976 . 1 1 89 89 THR C C 13 174.540 0.000 . 1 . . . A 160 THR C . 34046 1 977 . 1 1 89 89 THR CA C 13 62.775 0.000 . 1 . . . A 160 THR CA . 34046 1 978 . 1 1 89 89 THR CB C 13 69.643 0.000 . 1 . . . A 160 THR CB . 34046 1 979 . 1 1 89 89 THR CG2 C 13 21.832 0.000 . 1 . . . A 160 THR CG2 . 34046 1 980 . 1 1 89 89 THR N N 15 117.047 0.000 . 1 . . . A 160 THR N . 34046 1 981 . 1 1 90 90 VAL H H 1 8.249 0.000 . 1 . . . A 161 VAL H . 34046 1 982 . 1 1 90 90 VAL HA H 1 4.309 0.000 . 1 . . . A 161 VAL HA . 34046 1 983 . 1 1 90 90 VAL HB H 1 1.917 0.000 . 1 . . . A 161 VAL HB . 34046 1 984 . 1 1 90 90 VAL HG11 H 1 0.791 0.000 . 1 . . . A 161 VAL HG11 . 34046 1 985 . 1 1 90 90 VAL HG12 H 1 0.791 0.000 . 1 . . . A 161 VAL HG12 . 34046 1 986 . 1 1 90 90 VAL HG13 H 1 0.791 0.000 . 1 . . . A 161 VAL HG13 . 34046 1 987 . 1 1 90 90 VAL HG21 H 1 0.791 0.000 . 1 . . . A 161 VAL HG21 . 34046 1 988 . 1 1 90 90 VAL HG22 H 1 0.791 0.000 . 1 . . . A 161 VAL HG22 . 34046 1 989 . 1 1 90 90 VAL HG23 H 1 0.791 0.000 . 1 . . . A 161 VAL HG23 . 34046 1 990 . 1 1 90 90 VAL C C 13 174.244 0.000 . 1 . . . A 161 VAL C . 34046 1 991 . 1 1 90 90 VAL CA C 13 59.579 0.000 . 1 . . . A 161 VAL CA . 34046 1 992 . 1 1 90 90 VAL CB C 13 32.559 0.000 . 1 . . . A 161 VAL CB . 34046 1 993 . 1 1 90 90 VAL N N 15 124.658 0.000 . 1 . . . A 161 VAL N . 34046 1 994 . 1 1 91 91 PRO HA H 1 4.244 0.000 . 1 . . . A 162 PRO HA . 34046 1 995 . 1 1 91 91 PRO HB2 H 1 1.777 0.000 . 2 . . . A 162 PRO HB2 . 34046 1 996 . 1 1 91 91 PRO HB3 H 1 2.149 0.000 . 2 . . . A 162 PRO HB3 . 34046 1 997 . 1 1 91 91 PRO HG2 H 1 1.826 0.000 . 2 . . . A 162 PRO HG2 . 34046 1 998 . 1 1 91 91 PRO HG3 H 1 1.922 0.000 . 2 . . . A 162 PRO HG3 . 34046 1 999 . 1 1 91 91 PRO HD2 H 1 3.743 0.000 . 2 . . . A 162 PRO HD2 . 34046 1 1000 . 1 1 91 91 PRO HD3 H 1 3.549 0.000 . 2 . . . A 162 PRO HD3 . 34046 1 1001 . 1 1 91 91 PRO C C 13 177.459 0.000 . 1 . . . A 162 PRO C . 34046 1 1002 . 1 1 91 91 PRO CA C 13 63.396 0.000 . 1 . . . A 162 PRO CA . 34046 1 1003 . 1 1 91 91 PRO CB C 13 31.989 0.000 . 1 . . . A 162 PRO CB . 34046 1 1004 . 1 1 91 91 PRO CG C 13 28.093 0.000 . 1 . . . A 162 PRO CG . 34046 1 1005 . 1 1 91 91 PRO CD C 13 50.943 0.000 . 1 . . . A 162 PRO CD . 34046 1 1006 . 1 1 92 92 GLY H H 1 8.428 0.000 . 1 . . . A 163 GLY H . 34046 1 1007 . 1 1 92 92 GLY HA2 H 1 3.831 0.000 . 2 . . . A 163 GLY HA2 . 34046 1 1008 . 1 1 92 92 GLY HA3 H 1 4.691 0.000 . 2 . . . A 163 GLY HA3 . 34046 1 1009 . 1 1 92 92 GLY C C 13 174.728 0.000 . 1 . . . A 163 GLY C . 34046 1 1010 . 1 1 92 92 GLY CA C 13 45.216 0.000 . 1 . . . A 163 GLY CA . 34046 1 1011 . 1 1 92 92 GLY N N 15 109.744 0.000 . 1 . . . A 163 GLY N . 34046 1 1012 . 1 1 93 93 GLY H H 1 8.232 0.000 . 1 . . . A 164 GLY H . 34046 1 1013 . 1 1 93 93 GLY HA2 H 1 4.693 0.000 . 2 . . . A 164 GLY HA2 . 34046 1 1014 . 1 1 93 93 GLY HA3 H 1 3.833 0.000 . 2 . . . A 164 GLY HA3 . 34046 1 1015 . 1 1 93 93 GLY C C 13 174.096 0.000 . 1 . . . A 164 GLY C . 34046 1 1016 . 1 1 93 93 GLY CA C 13 45.208 0.000 . 1 . . . A 164 GLY CA . 34046 1 1017 . 1 1 93 93 GLY N N 15 108.744 0.000 . 1 . . . A 164 GLY N . 34046 1 1018 . 1 1 94 94 LEU H H 1 8.079 0.000 . 1 . . . A 165 LEU H . 34046 1 1019 . 1 1 94 94 LEU HA H 1 4.164 0.000 . 1 . . . A 165 LEU HA . 34046 1 1020 . 1 1 94 94 LEU HB2 H 1 1.374 0.000 . 2 . . . A 165 LEU HB2 . 34046 1 1021 . 1 1 94 94 LEU HB3 H 1 1.434 0.000 . 2 . . . A 165 LEU HB3 . 34046 1 1022 . 1 1 94 94 LEU HG H 1 1.434 0.000 . 1 . . . A 165 LEU HG . 34046 1 1023 . 1 1 94 94 LEU HD11 H 1 0.694 0.000 . 2 . . . A 165 LEU HD11 . 34046 1 1024 . 1 1 94 94 LEU HD12 H 1 0.694 0.000 . 2 . . . A 165 LEU HD12 . 34046 1 1025 . 1 1 94 94 LEU HD13 H 1 0.694 0.000 . 2 . . . A 165 LEU HD13 . 34046 1 1026 . 1 1 94 94 LEU HD21 H 1 0.750 0.000 . 2 . . . A 165 LEU HD21 . 34046 1 1027 . 1 1 94 94 LEU HD22 H 1 0.750 0.000 . 2 . . . A 165 LEU HD22 . 34046 1 1028 . 1 1 94 94 LEU HD23 H 1 0.750 0.000 . 2 . . . A 165 LEU HD23 . 34046 1 1029 . 1 1 94 94 LEU C C 13 177.383 0.000 . 1 . . . A 165 LEU C . 34046 1 1030 . 1 1 94 94 LEU CA C 13 55.218 0.000 . 1 . . . A 165 LEU CA . 34046 1 1031 . 1 1 94 94 LEU CB C 13 42.190 0.000 . 1 . . . A 165 LEU CB . 34046 1 1032 . 1 1 94 94 LEU CG C 13 26.852 0.000 . 1 . . . A 165 LEU CG . 34046 1 1033 . 1 1 94 94 LEU CD1 C 13 24.518 0.000 . 2 . . . A 165 LEU CD1 . 34046 1 1034 . 1 1 94 94 LEU CD2 C 13 23.399 0.000 . 2 . . . A 165 LEU CD2 . 34046 1 1035 . 1 1 94 94 LEU N N 15 121.142 0.000 . 1 . . . A 165 LEU N . 34046 1 1036 . 1 1 95 95 GLU H H 1 8.389 0.000 . 1 . . . A 166 GLU H . 34046 1 1037 . 1 1 95 95 GLU HA H 1 4.032 0.000 . 1 . . . A 166 GLU HA . 34046 1 1038 . 1 1 95 95 GLU HB2 H 1 1.762 0.000 . 2 . . . A 166 GLU HB2 . 34046 1 1039 . 1 1 95 95 GLU HB3 H 1 1.710 0.000 . 2 . . . A 166 GLU HB3 . 34046 1 1040 . 1 1 95 95 GLU HG2 H 1 1.978 0.000 . 2 . . . A 166 GLU HG2 . 34046 1 1041 . 1 1 95 95 GLU HG3 H 1 2.052 0.000 . 2 . . . A 166 GLU HG3 . 34046 1 1042 . 1 1 95 95 GLU C C 13 175.915 0.000 . 1 . . . A 166 GLU C . 34046 1 1043 . 1 1 95 95 GLU CA C 13 56.775 0.000 . 1 . . . A 166 GLU CA . 34046 1 1044 . 1 1 95 95 GLU CB C 13 29.836 0.000 . 1 . . . A 166 GLU CB . 34046 1 1045 . 1 1 95 95 GLU CG C 13 35.746 0.000 . 1 . . . A 166 GLU CG . 34046 1 1046 . 1 1 95 95 GLU N N 15 121.038 0.000 . 1 . . . A 166 GLU N . 34046 1 1047 . 1 1 96 96 HIS H H 1 8.070 0.000 . 1 . . . A 167 HIS H . 34046 1 1048 . 1 1 96 96 HIS HA H 1 4.705 0.000 . 1 . . . A 167 HIS HA . 34046 1 1049 . 1 1 96 96 HIS HB2 H 1 4.188 0.000 . 2 . . . A 167 HIS HB2 . 34046 1 1050 . 1 1 96 96 HIS HB3 H 1 2.851 0.000 . 2 . . . A 167 HIS HB3 . 34046 1 1051 . 1 1 96 96 HIS C C 13 174.678 0.000 . 1 . . . A 167 HIS C . 34046 1 1052 . 1 1 96 96 HIS CA C 13 56.298 0.000 . 1 . . . A 167 HIS CA . 34046 1 1053 . 1 1 96 96 HIS CB C 13 30.620 0.000 . 1 . . . A 167 HIS CB . 34046 1 1054 . 1 1 96 96 HIS N N 15 119.868 0.000 . 1 . . . A 167 HIS N . 34046 1 stop_ save_