data_30628 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30628 _Entry.Title ; Structural Basis for Client Recognition and Activity of Hsp40 Chaperones ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-07-08 _Entry.Accession_date 2019-07-08 _Entry.Last_release_date 2019-08-07 _Entry.Original_release_date 2019-08-07 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 30628 stop_ 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 Y. Jiang Y. . . . 30628 2 P. Rossi P. . . . 30628 3 C. Kalodimos C. G. . . 30628 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID CHAPERONE . 30628 'Client Recognition' . 30628 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30628 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 337 30628 '15N chemical shifts' 77 30628 '1H chemical shifts' 525 30628 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 . . 2019-09-11 . original BMRB . 30628 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6PQ2 . 30628 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30628 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Structural Basis for Client Recognition and Activity of Hsp40 Chaperones ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _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 . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Y. Jiang Y. . . . 30628 1 2 P. Rossi P. . . . 30628 1 3 C. Kalodimos C. G. . . 30628 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30628 _Assembly.ID 1 _Assembly.Name 'Alkaline phosphatase,Chaperone DnaJ domain-containing protein fusion' _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 . . . . . . 30628 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30628 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MLPLLFTPVTKGSGGSGGSG GSGRDLRAELPLTLEEAFHG GERVVEVAGRRVSVRIPPGV REGSVIRVPGMGGQGNPPGD LLLVVRLLPH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 90 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9256.687 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 94 MET . 30628 1 2 95 LEU . 30628 1 3 96 PRO . 30628 1 4 97 LEU . 30628 1 5 98 LEU . 30628 1 6 99 PHE . 30628 1 7 100 THR . 30628 1 8 101 PRO . 30628 1 9 102 VAL . 30628 1 10 103 THR . 30628 1 11 104 LYS . 30628 1 12 105 GLY . 30628 1 13 106 SER . 30628 1 14 107 GLY . 30628 1 15 108 GLY . 30628 1 16 109 SER . 30628 1 17 110 GLY . 30628 1 18 111 GLY . 30628 1 19 112 SER . 30628 1 20 113 GLY . 30628 1 21 114 GLY . 30628 1 22 115 SER . 30628 1 23 116 GLY . 30628 1 24 117 ARG . 30628 1 25 118 ASP . 30628 1 26 119 LEU . 30628 1 27 120 ARG . 30628 1 28 121 ALA . 30628 1 29 122 GLU . 30628 1 30 123 LEU . 30628 1 31 124 PRO . 30628 1 32 125 LEU . 30628 1 33 126 THR . 30628 1 34 127 LEU . 30628 1 35 128 GLU . 30628 1 36 129 GLU . 30628 1 37 130 ALA . 30628 1 38 131 PHE . 30628 1 39 132 HIS . 30628 1 40 133 GLY . 30628 1 41 134 GLY . 30628 1 42 135 GLU . 30628 1 43 136 ARG . 30628 1 44 137 VAL . 30628 1 45 138 VAL . 30628 1 46 139 GLU . 30628 1 47 140 VAL . 30628 1 48 141 ALA . 30628 1 49 142 GLY . 30628 1 50 143 ARG . 30628 1 51 144 ARG . 30628 1 52 145 VAL . 30628 1 53 146 SER . 30628 1 54 147 VAL . 30628 1 55 148 ARG . 30628 1 56 149 ILE . 30628 1 57 150 PRO . 30628 1 58 151 PRO . 30628 1 59 152 GLY . 30628 1 60 153 VAL . 30628 1 61 154 ARG . 30628 1 62 155 GLU . 30628 1 63 156 GLY . 30628 1 64 157 SER . 30628 1 65 158 VAL . 30628 1 66 159 ILE . 30628 1 67 160 ARG . 30628 1 68 161 VAL . 30628 1 69 162 PRO . 30628 1 70 163 GLY . 30628 1 71 164 MET . 30628 1 72 165 GLY . 30628 1 73 166 GLY . 30628 1 74 167 GLN . 30628 1 75 168 GLY . 30628 1 76 169 ASN . 30628 1 77 170 PRO . 30628 1 78 171 PRO . 30628 1 79 172 GLY . 30628 1 80 173 ASP . 30628 1 81 174 LEU . 30628 1 82 175 LEU . 30628 1 83 176 LEU . 30628 1 84 177 VAL . 30628 1 85 178 VAL . 30628 1 86 179 ARG . 30628 1 87 180 LEU . 30628 1 88 181 LEU . 30628 1 89 182 PRO . 30628 1 90 183 HIS . 30628 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 . MET 1 1 30628 1 . LEU 2 2 30628 1 . PRO 3 3 30628 1 . LEU 4 4 30628 1 . LEU 5 5 30628 1 . PHE 6 6 30628 1 . THR 7 7 30628 1 . PRO 8 8 30628 1 . VAL 9 9 30628 1 . THR 10 10 30628 1 . LYS 11 11 30628 1 . GLY 12 12 30628 1 . SER 13 13 30628 1 . GLY 14 14 30628 1 . GLY 15 15 30628 1 . SER 16 16 30628 1 . GLY 17 17 30628 1 . GLY 18 18 30628 1 . SER 19 19 30628 1 . GLY 20 20 30628 1 . GLY 21 21 30628 1 . SER 22 22 30628 1 . GLY 23 23 30628 1 . ARG 24 24 30628 1 . ASP 25 25 30628 1 . LEU 26 26 30628 1 . ARG 27 27 30628 1 . ALA 28 28 30628 1 . GLU 29 29 30628 1 . LEU 30 30 30628 1 . PRO 31 31 30628 1 . LEU 32 32 30628 1 . THR 33 33 30628 1 . LEU 34 34 30628 1 . GLU 35 35 30628 1 . GLU 36 36 30628 1 . ALA 37 37 30628 1 . PHE 38 38 30628 1 . HIS 39 39 30628 1 . GLY 40 40 30628 1 . GLY 41 41 30628 1 . GLU 42 42 30628 1 . ARG 43 43 30628 1 . VAL 44 44 30628 1 . VAL 45 45 30628 1 . GLU 46 46 30628 1 . VAL 47 47 30628 1 . ALA 48 48 30628 1 . GLY 49 49 30628 1 . ARG 50 50 30628 1 . ARG 51 51 30628 1 . VAL 52 52 30628 1 . SER 53 53 30628 1 . VAL 54 54 30628 1 . ARG 55 55 30628 1 . ILE 56 56 30628 1 . PRO 57 57 30628 1 . PRO 58 58 30628 1 . GLY 59 59 30628 1 . VAL 60 60 30628 1 . ARG 61 61 30628 1 . GLU 62 62 30628 1 . GLY 63 63 30628 1 . SER 64 64 30628 1 . VAL 65 65 30628 1 . ILE 66 66 30628 1 . ARG 67 67 30628 1 . VAL 68 68 30628 1 . PRO 69 69 30628 1 . GLY 70 70 30628 1 . MET 71 71 30628 1 . GLY 72 72 30628 1 . GLY 73 73 30628 1 . GLN 74 74 30628 1 . GLY 75 75 30628 1 . ASN 76 76 30628 1 . PRO 77 77 30628 1 . PRO 78 78 30628 1 . GLY 79 79 30628 1 . ASP 80 80 30628 1 . LEU 81 81 30628 1 . LEU 82 82 30628 1 . LEU 83 83 30628 1 . VAL 84 84 30628 1 . VAL 85 85 30628 1 . ARG 86 86 30628 1 . LEU 87 87 30628 1 . LEU 88 88 30628 1 . PRO 89 89 30628 1 . HIS 90 90 30628 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 30628 _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 . 274 organism . 'Thermus thermophilus' 'Thermus thermophilus' . . Bacteria . Thermus thermophilus . . . . . . . . . . . TTMY_2110 . 30628 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 30628 _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 BL21(DE3)' . . 469008 . . . BL21(DE3) . . . . . . . . 30628 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30628 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1 mM [U-100% 13C; U-100% 15N] L11-K20_CBD1, 20 mM potassium phosphate, 75 mM potassium chloride, 0.04 % sodium azide, 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 L11-K20_CBD1 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 30628 1 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 30628 1 3 'potassium chloride' 'natural abundance' . . . . . . 75 . . mM . . . . 30628 1 4 'sodium azide' 'natural abundance' . . . . . . 0.04 . . % . . . . 30628 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 30628 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 30628 1 pH 7.0 . pH 30628 1 pressure 1 . atm 30628 1 temperature 298 . K 30628 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30628 _Software.ID 1 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 30628 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 30628 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30628 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 30628 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure calculation' 30628 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30628 _Software.ID 3 _Software.Type . _Software.Name PINE _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bahrami, Markley, Assadi, and Eghbalnia' . . 30628 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 30628 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30628 _Software.ID 4 _Software.Type . _Software.Name Sparky _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 30628 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'peak picking' 30628 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30628 _Software.ID 5 _Software.Type . _Software.Name TALOS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 30628 5 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'geometry optimization' 30628 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 30628 _Software.ID 6 _Software.Type . _Software.Name TopSpin _Software.Version 4.0 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 30628 6 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 30628 6 stop_ save_ save_software_7 _Software.Sf_category software _Software.Sf_framecode software_7 _Software.Entry_ID 30628 _Software.ID 7 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30628 7 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 30628 7 stop_ save_ save_software_8 _Software.Sf_category software _Software.Sf_framecode software_8 _Software.Entry_ID 30628 _Software.ID 8 _Software.Type . _Software.Name PSVS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 30628 8 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 30628 8 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 30628 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _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 30628 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE NEO' . 700 . . . 30628 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 30628 _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 . . . . . . . . . . . . . . . . 30628 1 2 '3D C(CO)NH TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30628 1 3 '3D CCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30628 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30628 1 5 '3D CCH-NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30628 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30628 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30628 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30628 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30628 1 10 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30628 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 30628 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 30628 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30628 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30628 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 30628 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 30628 1 2 '3D C(CO)NH TOCSY' . . . 30628 1 3 '3D CCH-TOCSY' . . . 30628 1 4 '3D HNCACB' . . . 30628 1 5 '3D CCH-NOESY' . . . 30628 1 6 '3D HNCO' . . . 30628 1 7 '3D HBHA(CO)NH' . . . 30628 1 8 '3D 1H-15N NOESY' . . . 30628 1 9 '3D 1H-13C NOESY' . . . 30628 1 10 '2D 1H-13C HSQC' . . . 30628 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.515 0.01 . . . . . . A 94 MET HA . 30628 1 2 . 1 1 1 1 MET HB2 H 1 1.944 0.01 . . . . . . A 94 MET HB2 . 30628 1 3 . 1 1 1 1 MET HB3 H 1 2.018 0.01 . . . . . . A 94 MET HB3 . 30628 1 4 . 1 1 1 1 MET HG2 H 1 2.471 0.01 . . . . . . A 94 MET HG2 . 30628 1 5 . 1 1 1 1 MET HG3 H 1 2.440 0.00 . . . . . . A 94 MET HG3 . 30628 1 6 . 1 1 1 1 MET CA C 13 55.274 0.04 . . . . . . A 94 MET CA . 30628 1 7 . 1 1 1 1 MET CB C 13 33.231 0.03 . . . . . . A 94 MET CB . 30628 1 8 . 1 1 1 1 MET CG C 13 31.838 0.13 . . . . . . A 94 MET CG . 30628 1 9 . 1 1 2 2 LEU H H 1 8.351 0.01 . . . . . . A 95 LEU H . 30628 1 10 . 1 1 2 2 LEU HA H 1 4.684 0.01 . . . . . . A 95 LEU HA . 30628 1 11 . 1 1 2 2 LEU HB2 H 1 1.626 0.01 . . . . . . A 95 LEU HB2 . 30628 1 12 . 1 1 2 2 LEU HG H 1 1.671 0.01 . . . . . . A 95 LEU HG . 30628 1 13 . 1 1 2 2 LEU HD11 H 1 0.944 0.00 . . . . . . A 95 LEU HD11 . 30628 1 14 . 1 1 2 2 LEU HD12 H 1 0.944 0.00 . . . . . . A 95 LEU HD12 . 30628 1 15 . 1 1 2 2 LEU HD13 H 1 0.944 0.00 . . . . . . A 95 LEU HD13 . 30628 1 16 . 1 1 2 2 LEU HD21 H 1 0.927 0.01 . . . . . . A 95 LEU HD21 . 30628 1 17 . 1 1 2 2 LEU HD22 H 1 0.927 0.01 . . . . . . A 95 LEU HD22 . 30628 1 18 . 1 1 2 2 LEU HD23 H 1 0.927 0.01 . . . . . . A 95 LEU HD23 . 30628 1 19 . 1 1 2 2 LEU CA C 13 52.927 0.03 . . . . . . A 95 LEU CA . 30628 1 20 . 1 1 2 2 LEU CB C 13 41.977 0.04 . . . . . . A 95 LEU CB . 30628 1 21 . 1 1 2 2 LEU CG C 13 27.046 0.06 . . . . . . A 95 LEU CG . 30628 1 22 . 1 1 2 2 LEU CD1 C 13 25.210 0.04 . . . . . . A 95 LEU CD1 . 30628 1 23 . 1 1 2 2 LEU CD2 C 13 23.512 0.05 . . . . . . A 95 LEU CD2 . 30628 1 24 . 1 1 2 2 LEU N N 15 125.954 0.03 . . . . . . A 95 LEU N . 30628 1 25 . 1 1 3 3 PRO HA H 1 4.604 0.01 . . . . . . A 96 PRO HA . 30628 1 26 . 1 1 3 3 PRO HB2 H 1 2.277 0.01 . . . . . . A 96 PRO HB2 . 30628 1 27 . 1 1 3 3 PRO HB3 H 1 1.892 0.01 . . . . . . A 96 PRO HB3 . 30628 1 28 . 1 1 3 3 PRO HG2 H 1 1.983 0.01 . . . . . . A 96 PRO HG2 . 30628 1 29 . 1 1 3 3 PRO C C 13 176.682 0.00 . . . . . . A 96 PRO C . 30628 1 30 . 1 1 3 3 PRO CA C 13 62.721 0.07 . . . . . . A 96 PRO CA . 30628 1 31 . 1 1 3 3 PRO CB C 13 32.048 0.03 . . . . . . A 96 PRO CB . 30628 1 32 . 1 1 3 3 PRO CG C 13 27.421 0.07 . . . . . . A 96 PRO CG . 30628 1 33 . 1 1 4 4 LEU H H 1 8.408 0.00 . . . . . . A 97 LEU H . 30628 1 34 . 1 1 4 4 LEU HA H 1 4.447 0.01 . . . . . . A 97 LEU HA . 30628 1 35 . 1 1 4 4 LEU HB2 H 1 1.617 0.01 . . . . . . A 97 LEU HB2 . 30628 1 36 . 1 1 4 4 LEU HB3 H 1 1.517 0.01 . . . . . . A 97 LEU HB3 . 30628 1 37 . 1 1 4 4 LEU HG H 1 1.751 0.01 . . . . . . A 97 LEU HG . 30628 1 38 . 1 1 4 4 LEU HD11 H 1 0.858 0.00 . . . . . . A 97 LEU HD11 . 30628 1 39 . 1 1 4 4 LEU HD12 H 1 0.858 0.00 . . . . . . A 97 LEU HD12 . 30628 1 40 . 1 1 4 4 LEU HD13 H 1 0.858 0.00 . . . . . . A 97 LEU HD13 . 30628 1 41 . 1 1 4 4 LEU HD21 H 1 0.928 0.01 . . . . . . A 97 LEU HD21 . 30628 1 42 . 1 1 4 4 LEU HD22 H 1 0.928 0.01 . . . . . . A 97 LEU HD22 . 30628 1 43 . 1 1 4 4 LEU HD23 H 1 0.928 0.01 . . . . . . A 97 LEU HD23 . 30628 1 44 . 1 1 4 4 LEU C C 13 177.026 0.00 . . . . . . A 97 LEU C . 30628 1 45 . 1 1 4 4 LEU CA C 13 54.663 0.04 . . . . . . A 97 LEU CA . 30628 1 46 . 1 1 4 4 LEU CB C 13 42.407 0.07 . . . . . . A 97 LEU CB . 30628 1 47 . 1 1 4 4 LEU CG C 13 27.085 0.01 . . . . . . A 97 LEU CG . 30628 1 48 . 1 1 4 4 LEU CD1 C 13 25.736 0.06 . . . . . . A 97 LEU CD1 . 30628 1 49 . 1 1 4 4 LEU CD2 C 13 23.076 0.10 . . . . . . A 97 LEU CD2 . 30628 1 50 . 1 1 4 4 LEU N N 15 121.811 0.07 . . . . . . A 97 LEU N . 30628 1 51 . 1 1 5 5 LEU H H 1 8.398 0.01 . . . . . . A 98 LEU H . 30628 1 52 . 1 1 5 5 LEU HA H 1 4.483 0.01 . . . . . . A 98 LEU HA . 30628 1 53 . 1 1 5 5 LEU HB2 H 1 1.579 0.01 . . . . . . A 98 LEU HB2 . 30628 1 54 . 1 1 5 5 LEU HB3 H 1 1.542 0.01 . . . . . . A 98 LEU HB3 . 30628 1 55 . 1 1 5 5 LEU HG H 1 1.609 0.00 . . . . . . A 98 LEU HG . 30628 1 56 . 1 1 5 5 LEU HD11 H 1 0.908 0.00 . . . . . . A 98 LEU HD11 . 30628 1 57 . 1 1 5 5 LEU HD12 H 1 0.908 0.00 . . . . . . A 98 LEU HD12 . 30628 1 58 . 1 1 5 5 LEU HD13 H 1 0.908 0.00 . . . . . . A 98 LEU HD13 . 30628 1 59 . 1 1 5 5 LEU HD21 H 1 0.860 0.01 . . . . . . A 98 LEU HD21 . 30628 1 60 . 1 1 5 5 LEU HD22 H 1 0.860 0.01 . . . . . . A 98 LEU HD22 . 30628 1 61 . 1 1 5 5 LEU HD23 H 1 0.860 0.01 . . . . . . A 98 LEU HD23 . 30628 1 62 . 1 1 5 5 LEU C C 13 176.489 0.00 . . . . . . A 98 LEU C . 30628 1 63 . 1 1 5 5 LEU CA C 13 54.735 0.02 . . . . . . A 98 LEU CA . 30628 1 64 . 1 1 5 5 LEU CB C 13 42.438 0.07 . . . . . . A 98 LEU CB . 30628 1 65 . 1 1 5 5 LEU CG C 13 27.164 0.06 . . . . . . A 98 LEU CG . 30628 1 66 . 1 1 5 5 LEU CD1 C 13 24.958 0.06 . . . . . . A 98 LEU CD1 . 30628 1 67 . 1 1 5 5 LEU CD2 C 13 23.733 0.04 . . . . . . A 98 LEU CD2 . 30628 1 68 . 1 1 5 5 LEU N N 15 123.457 0.01 . . . . . . A 98 LEU N . 30628 1 69 . 1 1 6 6 PHE H H 1 8.239 0.01 . . . . . . A 99 PHE H . 30628 1 70 . 1 1 6 6 PHE HA H 1 5.187 0.01 . . . . . . A 99 PHE HA . 30628 1 71 . 1 1 6 6 PHE HB2 H 1 2.921 0.01 . . . . . . A 99 PHE HB2 . 30628 1 72 . 1 1 6 6 PHE HD1 H 1 7.178 0.01 . . . . . . A 99 PHE HD1 . 30628 1 73 . 1 1 6 6 PHE HE1 H 1 7.331 0.01 . . . . . . A 99 PHE HE1 . 30628 1 74 . 1 1 6 6 PHE HE2 H 1 7.339 0.00 . . . . . . A 99 PHE HE2 . 30628 1 75 . 1 1 6 6 PHE C C 13 174.374 0.00 . . . . . . A 99 PHE C . 30628 1 76 . 1 1 6 6 PHE CA C 13 56.689 0.04 . . . . . . A 99 PHE CA . 30628 1 77 . 1 1 6 6 PHE CB C 13 41.491 0.02 . . . . . . A 99 PHE CB . 30628 1 78 . 1 1 6 6 PHE CE1 C 13 131.468 0.00 . . . . . . A 99 PHE CE1 . 30628 1 79 . 1 1 6 6 PHE CE2 C 13 131.385 0.00 . . . . . . A 99 PHE CE2 . 30628 1 80 . 1 1 6 6 PHE N N 15 120.619 0.07 . . . . . . A 99 PHE N . 30628 1 81 . 1 1 7 7 THR H H 1 8.366 0.00 . . . . . . A 100 THR H . 30628 1 82 . 1 1 7 7 THR HA H 1 4.704 0.01 . . . . . . A 100 THR HA . 30628 1 83 . 1 1 7 7 THR HB H 1 4.066 0.00 . . . . . . A 100 THR HB . 30628 1 84 . 1 1 7 7 THR HG21 H 1 1.217 0.01 . . . . . . A 100 THR HG21 . 30628 1 85 . 1 1 7 7 THR HG22 H 1 1.217 0.01 . . . . . . A 100 THR HG22 . 30628 1 86 . 1 1 7 7 THR HG23 H 1 1.217 0.01 . . . . . . A 100 THR HG23 . 30628 1 87 . 1 1 7 7 THR CA C 13 59.015 0.02 . . . . . . A 100 THR CA . 30628 1 88 . 1 1 7 7 THR CB C 13 70.845 0.05 . . . . . . A 100 THR CB . 30628 1 89 . 1 1 7 7 THR CG2 C 13 21.286 0.08 . . . . . . A 100 THR CG2 . 30628 1 90 . 1 1 7 7 THR N N 15 115.756 0.00 . . . . . . A 100 THR N . 30628 1 91 . 1 1 8 8 PRO HA H 1 4.722 0.01 . . . . . . A 101 PRO HA . 30628 1 92 . 1 1 8 8 PRO HB2 H 1 2.270 0.01 . . . . . . A 101 PRO HB2 . 30628 1 93 . 1 1 8 8 PRO HB3 H 1 1.899 0.01 . . . . . . A 101 PRO HB3 . 30628 1 94 . 1 1 8 8 PRO HG2 H 1 2.000 0.01 . . . . . . A 101 PRO HG2 . 30628 1 95 . 1 1 8 8 PRO HG3 H 1 2.090 0.01 . . . . . . A 101 PRO HG3 . 30628 1 96 . 1 1 8 8 PRO HD2 H 1 3.919 0.01 . . . . . . A 101 PRO HD2 . 30628 1 97 . 1 1 8 8 PRO HD3 H 1 3.701 0.00 . . . . . . A 101 PRO HD3 . 30628 1 98 . 1 1 8 8 PRO C C 13 176.746 0.00 . . . . . . A 101 PRO C . 30628 1 99 . 1 1 8 8 PRO CA C 13 62.748 0.05 . . . . . . A 101 PRO CA . 30628 1 100 . 1 1 8 8 PRO CB C 13 32.067 0.06 . . . . . . A 101 PRO CB . 30628 1 101 . 1 1 8 8 PRO CG C 13 27.470 0.06 . . . . . . A 101 PRO CG . 30628 1 102 . 1 1 8 8 PRO CD C 13 50.718 0.07 . . . . . . A 101 PRO CD . 30628 1 103 . 1 1 9 9 VAL H H 1 8.469 0.01 . . . . . . A 102 VAL H . 30628 1 104 . 1 1 9 9 VAL HA H 1 4.159 0.01 . . . . . . A 102 VAL HA . 30628 1 105 . 1 1 9 9 VAL HB H 1 2.066 0.01 . . . . . . A 102 VAL HB . 30628 1 106 . 1 1 9 9 VAL HG11 H 1 0.947 0.01 . . . . . . A 102 VAL HG11 . 30628 1 107 . 1 1 9 9 VAL HG12 H 1 0.947 0.01 . . . . . . A 102 VAL HG12 . 30628 1 108 . 1 1 9 9 VAL HG13 H 1 0.947 0.01 . . . . . . A 102 VAL HG13 . 30628 1 109 . 1 1 9 9 VAL C C 13 176.414 0.00 . . . . . . A 102 VAL C . 30628 1 110 . 1 1 9 9 VAL CA C 13 62.418 0.03 . . . . . . A 102 VAL CA . 30628 1 111 . 1 1 9 9 VAL CB C 13 32.795 0.05 . . . . . . A 102 VAL CB . 30628 1 112 . 1 1 9 9 VAL CG1 C 13 21.183 0.07 . . . . . . A 102 VAL CG1 . 30628 1 113 . 1 1 9 9 VAL N N 15 121.926 0.04 . . . . . . A 102 VAL N . 30628 1 114 . 1 1 10 10 THR H H 1 8.332 0.00 . . . . . . A 103 THR H . 30628 1 115 . 1 1 10 10 THR HA H 1 4.374 0.01 . . . . . . A 103 THR HA . 30628 1 116 . 1 1 10 10 THR HB H 1 4.193 0.00 . . . . . . A 103 THR HB . 30628 1 117 . 1 1 10 10 THR HG21 H 1 1.201 0.01 . . . . . . A 103 THR HG21 . 30628 1 118 . 1 1 10 10 THR HG22 H 1 1.201 0.01 . . . . . . A 103 THR HG22 . 30628 1 119 . 1 1 10 10 THR HG23 H 1 1.201 0.01 . . . . . . A 103 THR HG23 . 30628 1 120 . 1 1 10 10 THR C C 13 174.362 0.00 . . . . . . A 103 THR C . 30628 1 121 . 1 1 10 10 THR CA C 13 61.762 0.04 . . . . . . A 103 THR CA . 30628 1 122 . 1 1 10 10 THR CB C 13 69.996 0.06 . . . . . . A 103 THR CB . 30628 1 123 . 1 1 10 10 THR CG2 C 13 21.727 0.02 . . . . . . A 103 THR CG2 . 30628 1 124 . 1 1 10 10 THR N N 15 119.170 0.06 . . . . . . A 103 THR N . 30628 1 125 . 1 1 11 11 LYS H H 1 8.490 0.01 . . . . . . A 104 LYS H . 30628 1 126 . 1 1 11 11 LYS HA H 1 4.351 0.01 . . . . . . A 104 LYS HA . 30628 1 127 . 1 1 11 11 LYS HB2 H 1 1.773 0.00 . . . . . . A 104 LYS HB2 . 30628 1 128 . 1 1 11 11 LYS HB3 H 1 1.847 0.01 . . . . . . A 104 LYS HB3 . 30628 1 129 . 1 1 11 11 LYS HG2 H 1 1.423 0.01 . . . . . . A 104 LYS HG2 . 30628 1 130 . 1 1 11 11 LYS HG3 H 1 1.466 0.01 . . . . . . A 104 LYS HG3 . 30628 1 131 . 1 1 11 11 LYS HD3 H 1 1.684 0.00 . . . . . . A 104 LYS HD3 . 30628 1 132 . 1 1 11 11 LYS HE3 H 1 2.988 0.00 . . . . . . A 104 LYS HE3 . 30628 1 133 . 1 1 11 11 LYS CA C 13 56.544 0.04 . . . . . . A 104 LYS CA . 30628 1 134 . 1 1 11 11 LYS CB C 13 33.256 0.03 . . . . . . A 104 LYS CB . 30628 1 135 . 1 1 11 11 LYS CG C 13 24.739 0.03 . . . . . . A 104 LYS CG . 30628 1 136 . 1 1 11 11 LYS CD C 13 29.172 0.01 . . . . . . A 104 LYS CD . 30628 1 137 . 1 1 11 11 LYS CE C 13 42.123 0.02 . . . . . . A 104 LYS CE . 30628 1 138 . 1 1 11 11 LYS N N 15 124.390 0.05 . . . . . . A 104 LYS N . 30628 1 139 . 1 1 12 12 GLY H H 1 8.512 0.00 . . . . . . A 105 GLY H . 30628 1 140 . 1 1 12 12 GLY HA2 H 1 3.665 0.00 . . . . . . A 105 GLY HA2 . 30628 1 141 . 1 1 12 12 GLY HA3 H 1 3.923 0.00 . . . . . . A 105 GLY HA3 . 30628 1 142 . 1 1 12 12 GLY CA C 13 46.237 0.02 . . . . . . A 105 GLY CA . 30628 1 143 . 1 1 12 12 GLY N N 15 110.672 0.03 . . . . . . A 105 GLY N . 30628 1 144 . 1 1 13 13 SER HA H 1 4.494 0.00 . . . . . . A 106 SER HA . 30628 1 145 . 1 1 13 13 SER HB2 H 1 3.882 0.00 . . . . . . A 106 SER HB2 . 30628 1 146 . 1 1 13 13 SER HB3 H 1 3.909 0.02 . . . . . . A 106 SER HB3 . 30628 1 147 . 1 1 13 13 SER CA C 13 58.503 0.03 . . . . . . A 106 SER CA . 30628 1 148 . 1 1 13 13 SER CB C 13 63.946 0.01 . . . . . . A 106 SER CB . 30628 1 149 . 1 1 14 14 GLY H H 1 8.580 0.01 . . . . . . A 107 GLY H . 30628 1 150 . 1 1 14 14 GLY HA2 H 1 4.009 0.01 . . . . . . A 107 GLY HA2 . 30628 1 151 . 1 1 14 14 GLY CA C 13 45.417 0.09 . . . . . . A 107 GLY CA . 30628 1 152 . 1 1 14 14 GLY N N 15 110.999 0.04 . . . . . . A 107 GLY N . 30628 1 153 . 1 1 15 15 GLY H H 1 8.334 0.00 . . . . . . A 108 GLY H . 30628 1 154 . 1 1 15 15 GLY HA2 H 1 4.011 0.01 . . . . . . A 108 GLY HA2 . 30628 1 155 . 1 1 15 15 GLY CA C 13 45.275 0.00 . . . . . . A 108 GLY CA . 30628 1 156 . 1 1 15 15 GLY N N 15 108.889 0.06 . . . . . . A 108 GLY N . 30628 1 157 . 1 1 16 16 SER H H 1 8.286 0.01 . . . . . . A 109 SER H . 30628 1 158 . 1 1 16 16 SER C C 13 175.288 0.00 . . . . . . A 109 SER C . 30628 1 159 . 1 1 16 16 SER CA C 13 58.397 0.00 . . . . . . A 109 SER CA . 30628 1 160 . 1 1 16 16 SER CB C 13 63.918 0.06 . . . . . . A 109 SER CB . 30628 1 161 . 1 1 16 16 SER N N 15 108.852 0.03 . . . . . . A 109 SER N . 30628 1 162 . 1 1 17 17 GLY H H 1 8.586 0.00 . . . . . . A 110 GLY H . 30628 1 163 . 1 1 17 17 GLY CA C 13 45.482 0.00 . . . . . . A 110 GLY CA . 30628 1 164 . 1 1 17 17 GLY N N 15 111.019 0.05 . . . . . . A 110 GLY N . 30628 1 165 . 1 1 19 19 SER C C 13 174.763 0.00 . . . . . . A 112 SER C . 30628 1 166 . 1 1 20 20 GLY H H 1 8.282 0.00 . . . . . . A 113 GLY H . 30628 1 167 . 1 1 20 20 GLY C C 13 174.720 0.00 . . . . . . A 113 GLY C . 30628 1 168 . 1 1 20 20 GLY CA C 13 45.248 0.00 . . . . . . A 113 GLY CA . 30628 1 169 . 1 1 20 20 GLY N N 15 108.829 0.02 . . . . . . A 113 GLY N . 30628 1 170 . 1 1 21 21 GLY H H 1 8.331 0.00 . . . . . . A 114 GLY H . 30628 1 171 . 1 1 21 21 GLY HA2 H 1 4.108 0.00 . . . . . . A 114 GLY HA2 . 30628 1 172 . 1 1 21 21 GLY HA3 H 1 3.982 0.00 . . . . . . A 114 GLY HA3 . 30628 1 173 . 1 1 21 21 GLY C C 13 174.747 0.00 . . . . . . A 114 GLY C . 30628 1 174 . 1 1 21 21 GLY CA C 13 45.140 0.17 . . . . . . A 114 GLY CA . 30628 1 175 . 1 1 21 21 GLY N N 15 108.833 0.01 . . . . . . A 114 GLY N . 30628 1 176 . 1 1 22 22 SER H H 1 8.217 0.01 . . . . . . A 115 SER H . 30628 1 177 . 1 1 22 22 SER HA H 1 4.354 0.01 . . . . . . A 115 SER HA . 30628 1 178 . 1 1 22 22 SER HB2 H 1 3.919 0.01 . . . . . . A 115 SER HB2 . 30628 1 179 . 1 1 22 22 SER C C 13 175.491 0.00 . . . . . . A 115 SER C . 30628 1 180 . 1 1 22 22 SER CA C 13 58.608 0.04 . . . . . . A 115 SER CA . 30628 1 181 . 1 1 22 22 SER CB C 13 64.064 0.03 . . . . . . A 115 SER CB . 30628 1 182 . 1 1 22 22 SER N N 15 117.109 0.04 . . . . . . A 115 SER N . 30628 1 183 . 1 1 23 23 GLY H H 1 8.761 0.00 . . . . . . A 116 GLY H . 30628 1 184 . 1 1 23 23 GLY HA2 H 1 3.990 0.01 . . . . . . A 116 GLY HA2 . 30628 1 185 . 1 1 23 23 GLY HA3 H 1 3.534 0.01 . . . . . . A 116 GLY HA3 . 30628 1 186 . 1 1 23 23 GLY C C 13 173.369 0.00 . . . . . . A 116 GLY C . 30628 1 187 . 1 1 23 23 GLY CA C 13 44.918 0.07 . . . . . . A 116 GLY CA . 30628 1 188 . 1 1 23 23 GLY N N 15 109.684 0.05 . . . . . . A 116 GLY N . 30628 1 189 . 1 1 24 24 ARG H H 1 8.259 0.00 . . . . . . A 117 ARG H . 30628 1 190 . 1 1 24 24 ARG HA H 1 4.367 0.00 . . . . . . A 117 ARG HA . 30628 1 191 . 1 1 24 24 ARG HB2 H 1 1.851 0.01 . . . . . . A 117 ARG HB2 . 30628 1 192 . 1 1 24 24 ARG HB3 H 1 1.671 0.00 . . . . . . A 117 ARG HB3 . 30628 1 193 . 1 1 24 24 ARG HG2 H 1 1.669 0.00 . . . . . . A 117 ARG HG2 . 30628 1 194 . 1 1 24 24 ARG HD2 H 1 3.167 0.01 . . . . . . A 117 ARG HD2 . 30628 1 195 . 1 1 24 24 ARG C C 13 176.319 0.00 . . . . . . A 117 ARG C . 30628 1 196 . 1 1 24 24 ARG CA C 13 55.517 0.02 . . . . . . A 117 ARG CA . 30628 1 197 . 1 1 24 24 ARG CB C 13 31.283 0.08 . . . . . . A 117 ARG CB . 30628 1 198 . 1 1 24 24 ARG CG C 13 27.218 0.03 . . . . . . A 117 ARG CG . 30628 1 199 . 1 1 24 24 ARG CD C 13 43.502 0.07 . . . . . . A 117 ARG CD . 30628 1 200 . 1 1 24 24 ARG N N 15 119.768 0.04 . . . . . . A 117 ARG N . 30628 1 201 . 1 1 25 25 ASP H H 1 8.623 0.00 . . . . . . A 118 ASP H . 30628 1 202 . 1 1 25 25 ASP HA H 1 5.317 0.01 . . . . . . A 118 ASP HA . 30628 1 203 . 1 1 25 25 ASP HB2 H 1 2.458 0.01 . . . . . . A 118 ASP HB2 . 30628 1 204 . 1 1 25 25 ASP HB3 H 1 2.516 0.01 . . . . . . A 118 ASP HB3 . 30628 1 205 . 1 1 25 25 ASP C C 13 176.018 0.00 . . . . . . A 118 ASP C . 30628 1 206 . 1 1 25 25 ASP CA C 13 54.544 0.07 . . . . . . A 118 ASP CA . 30628 1 207 . 1 1 25 25 ASP CB C 13 40.631 0.05 . . . . . . A 118 ASP CB . 30628 1 208 . 1 1 25 25 ASP N N 15 123.997 0.04 . . . . . . A 118 ASP N . 30628 1 209 . 1 1 26 26 LEU H H 1 8.569 0.01 . . . . . . A 119 LEU H . 30628 1 210 . 1 1 26 26 LEU HA H 1 4.879 0.01 . . . . . . A 119 LEU HA . 30628 1 211 . 1 1 26 26 LEU HB2 H 1 1.305 0.01 . . . . . . A 119 LEU HB2 . 30628 1 212 . 1 1 26 26 LEU HB3 H 1 1.512 0.01 . . . . . . A 119 LEU HB3 . 30628 1 213 . 1 1 26 26 LEU HG H 1 1.475 0.01 . . . . . . A 119 LEU HG . 30628 1 214 . 1 1 26 26 LEU HD11 H 1 0.798 0.01 . . . . . . A 119 LEU HD11 . 30628 1 215 . 1 1 26 26 LEU HD12 H 1 0.798 0.01 . . . . . . A 119 LEU HD12 . 30628 1 216 . 1 1 26 26 LEU HD13 H 1 0.798 0.01 . . . . . . A 119 LEU HD13 . 30628 1 217 . 1 1 26 26 LEU HD21 H 1 0.630 0.00 . . . . . . A 119 LEU HD21 . 30628 1 218 . 1 1 26 26 LEU HD22 H 1 0.630 0.00 . . . . . . A 119 LEU HD22 . 30628 1 219 . 1 1 26 26 LEU HD23 H 1 0.630 0.00 . . . . . . A 119 LEU HD23 . 30628 1 220 . 1 1 26 26 LEU C C 13 174.391 0.00 . . . . . . A 119 LEU C . 30628 1 221 . 1 1 26 26 LEU CA C 13 53.157 0.07 . . . . . . A 119 LEU CA . 30628 1 222 . 1 1 26 26 LEU CB C 13 45.459 0.06 . . . . . . A 119 LEU CB . 30628 1 223 . 1 1 26 26 LEU CG C 13 27.205 0.06 . . . . . . A 119 LEU CG . 30628 1 224 . 1 1 26 26 LEU CD1 C 13 22.935 0.04 . . . . . . A 119 LEU CD1 . 30628 1 225 . 1 1 26 26 LEU CD2 C 13 24.863 0.04 . . . . . . A 119 LEU CD2 . 30628 1 226 . 1 1 26 26 LEU N N 15 120.911 0.05 . . . . . . A 119 LEU N . 30628 1 227 . 1 1 27 27 ARG H H 1 8.791 0.01 . . . . . . A 120 ARG H . 30628 1 228 . 1 1 27 27 ARG HA H 1 5.582 0.01 . . . . . . A 120 ARG HA . 30628 1 229 . 1 1 27 27 ARG HB2 H 1 1.770 0.01 . . . . . . A 120 ARG HB2 . 30628 1 230 . 1 1 27 27 ARG HB3 H 1 1.579 0.00 . . . . . . A 120 ARG HB3 . 30628 1 231 . 1 1 27 27 ARG HG2 H 1 1.552 0.01 . . . . . . A 120 ARG HG2 . 30628 1 232 . 1 1 27 27 ARG HG3 H 1 1.455 0.01 . . . . . . A 120 ARG HG3 . 30628 1 233 . 1 1 27 27 ARG HD2 H 1 3.118 0.01 . . . . . . A 120 ARG HD2 . 30628 1 234 . 1 1 27 27 ARG C C 13 175.054 0.00 . . . . . . A 120 ARG C . 30628 1 235 . 1 1 27 27 ARG CA C 13 54.375 0.06 . . . . . . A 120 ARG CA . 30628 1 236 . 1 1 27 27 ARG CB C 13 33.329 0.05 . . . . . . A 120 ARG CB . 30628 1 237 . 1 1 27 27 ARG CG C 13 27.974 0.07 . . . . . . A 120 ARG CG . 30628 1 238 . 1 1 27 27 ARG CD C 13 43.567 0.05 . . . . . . A 120 ARG CD . 30628 1 239 . 1 1 27 27 ARG N N 15 123.105 0.03 . . . . . . A 120 ARG N . 30628 1 240 . 1 1 28 28 ALA H H 1 9.070 0.01 . . . . . . A 121 ALA H . 30628 1 241 . 1 1 28 28 ALA HA H 1 4.931 0.00 . . . . . . A 121 ALA HA . 30628 1 242 . 1 1 28 28 ALA HB1 H 1 1.223 0.01 . . . . . . A 121 ALA HB1 . 30628 1 243 . 1 1 28 28 ALA HB2 H 1 1.223 0.01 . . . . . . A 121 ALA HB2 . 30628 1 244 . 1 1 28 28 ALA HB3 H 1 1.223 0.01 . . . . . . A 121 ALA HB3 . 30628 1 245 . 1 1 28 28 ALA C C 13 175.289 0.00 . . . . . . A 121 ALA C . 30628 1 246 . 1 1 28 28 ALA CA C 13 50.789 0.05 . . . . . . A 121 ALA CA . 30628 1 247 . 1 1 28 28 ALA CB C 13 23.458 0.06 . . . . . . A 121 ALA CB . 30628 1 248 . 1 1 28 28 ALA N N 15 127.291 0.05 . . . . . . A 121 ALA N . 30628 1 249 . 1 1 29 29 GLU H H 1 8.566 0.00 . . . . . . A 122 GLU H . 30628 1 250 . 1 1 29 29 GLU HA H 1 4.791 0.00 . . . . . . A 122 GLU HA . 30628 1 251 . 1 1 29 29 GLU HB2 H 1 1.991 0.01 . . . . . . A 122 GLU HB2 . 30628 1 252 . 1 1 29 29 GLU HB3 H 1 1.858 0.01 . . . . . . A 122 GLU HB3 . 30628 1 253 . 1 1 29 29 GLU HG2 H 1 2.350 0.00 . . . . . . A 122 GLU HG2 . 30628 1 254 . 1 1 29 29 GLU HG3 H 1 2.047 0.00 . . . . . . A 122 GLU HG3 . 30628 1 255 . 1 1 29 29 GLU CA C 13 55.773 0.04 . . . . . . A 122 GLU CA . 30628 1 256 . 1 1 29 29 GLU CB C 13 31.632 0.07 . . . . . . A 122 GLU CB . 30628 1 257 . 1 1 29 29 GLU CG C 13 37.432 0.04 . . . . . . A 122 GLU CG . 30628 1 258 . 1 1 29 29 GLU N N 15 120.098 0.04 . . . . . . A 122 GLU N . 30628 1 259 . 1 1 30 30 LEU H H 1 8.882 0.01 . . . . . . A 123 LEU H . 30628 1 260 . 1 1 30 30 LEU HA H 1 4.931 0.01 . . . . . . A 123 LEU HA . 30628 1 261 . 1 1 30 30 LEU HB2 H 1 1.731 0.01 . . . . . . A 123 LEU HB2 . 30628 1 262 . 1 1 30 30 LEU HB3 H 1 0.984 0.01 . . . . . . A 123 LEU HB3 . 30628 1 263 . 1 1 30 30 LEU HD11 H 1 0.707 0.00 . . . . . . A 123 LEU HD11 . 30628 1 264 . 1 1 30 30 LEU HD12 H 1 0.707 0.00 . . . . . . A 123 LEU HD12 . 30628 1 265 . 1 1 30 30 LEU HD13 H 1 0.707 0.00 . . . . . . A 123 LEU HD13 . 30628 1 266 . 1 1 30 30 LEU HD21 H 1 0.773 0.01 . . . . . . A 123 LEU HD21 . 30628 1 267 . 1 1 30 30 LEU HD22 H 1 0.773 0.01 . . . . . . A 123 LEU HD22 . 30628 1 268 . 1 1 30 30 LEU HD23 H 1 0.773 0.01 . . . . . . A 123 LEU HD23 . 30628 1 269 . 1 1 30 30 LEU CA C 13 50.809 0.03 . . . . . . A 123 LEU CA . 30628 1 270 . 1 1 30 30 LEU CB C 13 45.101 0.04 . . . . . . A 123 LEU CB . 30628 1 271 . 1 1 30 30 LEU CD1 C 13 26.813 0.06 . . . . . . A 123 LEU CD1 . 30628 1 272 . 1 1 30 30 LEU CD2 C 13 23.889 0.06 . . . . . . A 123 LEU CD2 . 30628 1 273 . 1 1 30 30 LEU N N 15 125.228 0.04 . . . . . . A 123 LEU N . 30628 1 274 . 1 1 31 31 PRO HA H 1 5.405 0.01 . . . . . . A 124 PRO HA . 30628 1 275 . 1 1 31 31 PRO HB2 H 1 1.933 0.01 . . . . . . A 124 PRO HB2 . 30628 1 276 . 1 1 31 31 PRO HB3 H 1 2.122 0.01 . . . . . . A 124 PRO HB3 . 30628 1 277 . 1 1 31 31 PRO HG2 H 1 2.244 0.01 . . . . . . A 124 PRO HG2 . 30628 1 278 . 1 1 31 31 PRO HG3 H 1 1.917 0.01 . . . . . . A 124 PRO HG3 . 30628 1 279 . 1 1 31 31 PRO HD2 H 1 3.876 0.01 . . . . . . A 124 PRO HD2 . 30628 1 280 . 1 1 31 31 PRO HD3 H 1 3.692 0.01 . . . . . . A 124 PRO HD3 . 30628 1 281 . 1 1 31 31 PRO C C 13 176.642 0.00 . . . . . . A 124 PRO C . 30628 1 282 . 1 1 31 31 PRO CA C 13 61.284 0.04 . . . . . . A 124 PRO CA . 30628 1 283 . 1 1 31 31 PRO CB C 13 31.637 0.04 . . . . . . A 124 PRO CB . 30628 1 284 . 1 1 31 31 PRO CG C 13 27.787 0.04 . . . . . . A 124 PRO CG . 30628 1 285 . 1 1 31 31 PRO CD C 13 50.966 0.01 . . . . . . A 124 PRO CD . 30628 1 286 . 1 1 32 32 LEU H H 1 8.871 0.01 . . . . . . A 125 LEU H . 30628 1 287 . 1 1 32 32 LEU HA H 1 4.907 0.01 . . . . . . A 125 LEU HA . 30628 1 288 . 1 1 32 32 LEU HB2 H 1 1.464 0.01 . . . . . . A 125 LEU HB2 . 30628 1 289 . 1 1 32 32 LEU HB3 H 1 1.563 0.02 . . . . . . A 125 LEU HB3 . 30628 1 290 . 1 1 32 32 LEU HG H 1 1.665 0.01 . . . . . . A 125 LEU HG . 30628 1 291 . 1 1 32 32 LEU HD11 H 1 0.672 0.01 . . . . . . A 125 LEU HD11 . 30628 1 292 . 1 1 32 32 LEU HD12 H 1 0.672 0.01 . . . . . . A 125 LEU HD12 . 30628 1 293 . 1 1 32 32 LEU HD13 H 1 0.672 0.01 . . . . . . A 125 LEU HD13 . 30628 1 294 . 1 1 32 32 LEU HD21 H 1 0.725 0.01 . . . . . . A 125 LEU HD21 . 30628 1 295 . 1 1 32 32 LEU HD22 H 1 0.725 0.01 . . . . . . A 125 LEU HD22 . 30628 1 296 . 1 1 32 32 LEU HD23 H 1 0.725 0.01 . . . . . . A 125 LEU HD23 . 30628 1 297 . 1 1 32 32 LEU C C 13 176.627 0.00 . . . . . . A 125 LEU C . 30628 1 298 . 1 1 32 32 LEU CA C 13 53.122 0.06 . . . . . . A 125 LEU CA . 30628 1 299 . 1 1 32 32 LEU CB C 13 46.697 0.05 . . . . . . A 125 LEU CB . 30628 1 300 . 1 1 32 32 LEU CG C 13 26.129 0.06 . . . . . . A 125 LEU CG . 30628 1 301 . 1 1 32 32 LEU CD1 C 13 27.839 0.03 . . . . . . A 125 LEU CD1 . 30628 1 302 . 1 1 32 32 LEU CD2 C 13 23.294 0.06 . . . . . . A 125 LEU CD2 . 30628 1 303 . 1 1 32 32 LEU N N 15 125.073 0.06 . . . . . . A 125 LEU N . 30628 1 304 . 1 1 33 33 THR H H 1 9.011 0.01 . . . . . . A 126 THR H . 30628 1 305 . 1 1 33 33 THR HA H 1 4.669 0.01 . . . . . . A 126 THR HA . 30628 1 306 . 1 1 33 33 THR HB H 1 4.825 0.01 . . . . . . A 126 THR HB . 30628 1 307 . 1 1 33 33 THR HG21 H 1 1.329 0.01 . . . . . . A 126 THR HG21 . 30628 1 308 . 1 1 33 33 THR HG22 H 1 1.329 0.01 . . . . . . A 126 THR HG22 . 30628 1 309 . 1 1 33 33 THR HG23 H 1 1.329 0.01 . . . . . . A 126 THR HG23 . 30628 1 310 . 1 1 33 33 THR C C 13 175.534 0.00 . . . . . . A 126 THR C . 30628 1 311 . 1 1 33 33 THR CA C 13 60.777 0.06 . . . . . . A 126 THR CA . 30628 1 312 . 1 1 33 33 THR CB C 13 71.177 0.08 . . . . . . A 126 THR CB . 30628 1 313 . 1 1 33 33 THR CG2 C 13 22.269 0.03 . . . . . . A 126 THR CG2 . 30628 1 314 . 1 1 33 33 THR N N 15 111.770 0.05 . . . . . . A 126 THR N . 30628 1 315 . 1 1 34 34 LEU H H 1 8.926 0.01 . . . . . . A 127 LEU H . 30628 1 316 . 1 1 34 34 LEU HA H 1 3.950 0.01 . . . . . . A 127 LEU HA . 30628 1 317 . 1 1 34 34 LEU HB2 H 1 1.473 0.01 . . . . . . A 127 LEU HB2 . 30628 1 318 . 1 1 34 34 LEU HB3 H 1 1.680 0.01 . . . . . . A 127 LEU HB3 . 30628 1 319 . 1 1 34 34 LEU HG H 1 1.718 0.01 . . . . . . A 127 LEU HG . 30628 1 320 . 1 1 34 34 LEU HD11 H 1 0.844 0.00 . . . . . . A 127 LEU HD11 . 30628 1 321 . 1 1 34 34 LEU HD12 H 1 0.844 0.00 . . . . . . A 127 LEU HD12 . 30628 1 322 . 1 1 34 34 LEU HD13 H 1 0.844 0.00 . . . . . . A 127 LEU HD13 . 30628 1 323 . 1 1 34 34 LEU HD21 H 1 0.838 0.00 . . . . . . A 127 LEU HD21 . 30628 1 324 . 1 1 34 34 LEU HD22 H 1 0.838 0.00 . . . . . . A 127 LEU HD22 . 30628 1 325 . 1 1 34 34 LEU HD23 H 1 0.838 0.00 . . . . . . A 127 LEU HD23 . 30628 1 326 . 1 1 34 34 LEU C C 13 180.360 0.00 . . . . . . A 127 LEU C . 30628 1 327 . 1 1 34 34 LEU CA C 13 58.623 0.07 . . . . . . A 127 LEU CA . 30628 1 328 . 1 1 34 34 LEU CB C 13 41.473 0.05 . . . . . . A 127 LEU CB . 30628 1 329 . 1 1 34 34 LEU CG C 13 27.147 0.03 . . . . . . A 127 LEU CG . 30628 1 330 . 1 1 34 34 LEU CD1 C 13 24.039 0.06 . . . . . . A 127 LEU CD1 . 30628 1 331 . 1 1 34 34 LEU CD2 C 13 25.134 0.10 . . . . . . A 127 LEU CD2 . 30628 1 332 . 1 1 34 34 LEU N N 15 120.529 0.02 . . . . . . A 127 LEU N . 30628 1 333 . 1 1 35 35 GLU H H 1 8.679 0.01 . . . . . . A 128 GLU H . 30628 1 334 . 1 1 35 35 GLU HA H 1 4.128 0.01 . . . . . . A 128 GLU HA . 30628 1 335 . 1 1 35 35 GLU HB2 H 1 2.043 0.01 . . . . . . A 128 GLU HB2 . 30628 1 336 . 1 1 35 35 GLU HB3 H 1 2.121 0.01 . . . . . . A 128 GLU HB3 . 30628 1 337 . 1 1 35 35 GLU HG2 H 1 2.408 0.01 . . . . . . A 128 GLU HG2 . 30628 1 338 . 1 1 35 35 GLU HG3 H 1 2.357 0.01 . . . . . . A 128 GLU HG3 . 30628 1 339 . 1 1 35 35 GLU C C 13 178.800 0.00 . . . . . . A 128 GLU C . 30628 1 340 . 1 1 35 35 GLU CA C 13 60.201 0.04 . . . . . . A 128 GLU CA . 30628 1 341 . 1 1 35 35 GLU CB C 13 29.618 0.11 . . . . . . A 128 GLU CB . 30628 1 342 . 1 1 35 35 GLU CG C 13 37.015 0.07 . . . . . . A 128 GLU CG . 30628 1 343 . 1 1 35 35 GLU N N 15 118.568 0.05 . . . . . . A 128 GLU N . 30628 1 344 . 1 1 36 36 GLU H H 1 7.803 0.01 . . . . . . A 129 GLU H . 30628 1 345 . 1 1 36 36 GLU HA H 1 4.030 0.01 . . . . . . A 129 GLU HA . 30628 1 346 . 1 1 36 36 GLU HB2 H 1 2.364 0.01 . . . . . . A 129 GLU HB2 . 30628 1 347 . 1 1 36 36 GLU HB3 H 1 1.788 0.01 . . . . . . A 129 GLU HB3 . 30628 1 348 . 1 1 36 36 GLU HG2 H 1 2.430 0.01 . . . . . . A 129 GLU HG2 . 30628 1 349 . 1 1 36 36 GLU HG3 H 1 2.207 0.01 . . . . . . A 129 GLU HG3 . 30628 1 350 . 1 1 36 36 GLU C C 13 179.612 0.00 . . . . . . A 129 GLU C . 30628 1 351 . 1 1 36 36 GLU CA C 13 58.880 0.07 . . . . . . A 129 GLU CA . 30628 1 352 . 1 1 36 36 GLU CB C 13 31.180 0.10 . . . . . . A 129 GLU CB . 30628 1 353 . 1 1 36 36 GLU CG C 13 37.741 0.03 . . . . . . A 129 GLU CG . 30628 1 354 . 1 1 36 36 GLU N N 15 120.369 0.04 . . . . . . A 129 GLU N . 30628 1 355 . 1 1 37 37 ALA H H 1 8.403 0.01 . . . . . . A 130 ALA H . 30628 1 356 . 1 1 37 37 ALA HA H 1 3.833 0.01 . . . . . . A 130 ALA HA . 30628 1 357 . 1 1 37 37 ALA HB1 H 1 1.341 0.01 . . . . . . A 130 ALA HB1 . 30628 1 358 . 1 1 37 37 ALA HB2 H 1 1.341 0.01 . . . . . . A 130 ALA HB2 . 30628 1 359 . 1 1 37 37 ALA HB3 H 1 1.341 0.01 . . . . . . A 130 ALA HB3 . 30628 1 360 . 1 1 37 37 ALA C C 13 177.838 0.00 . . . . . . A 130 ALA C . 30628 1 361 . 1 1 37 37 ALA CA C 13 54.252 0.03 . . . . . . A 130 ALA CA . 30628 1 362 . 1 1 37 37 ALA CB C 13 18.546 0.03 . . . . . . A 130 ALA CB . 30628 1 363 . 1 1 37 37 ALA N N 15 120.875 0.04 . . . . . . A 130 ALA N . 30628 1 364 . 1 1 38 38 PHE H H 1 7.959 0.01 . . . . . . A 131 PHE H . 30628 1 365 . 1 1 38 38 PHE HA H 1 4.136 0.00 . . . . . . A 131 PHE HA . 30628 1 366 . 1 1 38 38 PHE HB2 H 1 3.233 0.01 . . . . . . A 131 PHE HB2 . 30628 1 367 . 1 1 38 38 PHE HB3 H 1 2.919 0.00 . . . . . . A 131 PHE HB3 . 30628 1 368 . 1 1 38 38 PHE HD1 H 1 6.695 0.01 . . . . . . A 131 PHE HD1 . 30628 1 369 . 1 1 38 38 PHE HE1 H 1 7.173 0.00 . . . . . . A 131 PHE HE1 . 30628 1 370 . 1 1 38 38 PHE HZ H 1 7.277 0.00 . . . . . . A 131 PHE HZ . 30628 1 371 . 1 1 38 38 PHE C C 13 177.870 0.00 . . . . . . A 131 PHE C . 30628 1 372 . 1 1 38 38 PHE CA C 13 61.310 0.04 . . . . . . A 131 PHE CA . 30628 1 373 . 1 1 38 38 PHE CB C 13 39.572 0.02 . . . . . . A 131 PHE CB . 30628 1 374 . 1 1 38 38 PHE CD1 C 13 131.420 0.00 . . . . . . A 131 PHE CD1 . 30628 1 375 . 1 1 38 38 PHE CE1 C 13 132.131 0.00 . . . . . . A 131 PHE CE1 . 30628 1 376 . 1 1 38 38 PHE CZ C 13 129.781 0.00 . . . . . . A 131 PHE CZ . 30628 1 377 . 1 1 38 38 PHE N N 15 115.962 0.03 . . . . . . A 131 PHE N . 30628 1 378 . 1 1 39 39 HIS H H 1 8.077 0.01 . . . . . . A 132 HIS H . 30628 1 379 . 1 1 39 39 HIS HA H 1 4.365 0.01 . . . . . . A 132 HIS HA . 30628 1 380 . 1 1 39 39 HIS HB2 H 1 3.062 0.01 . . . . . . A 132 HIS HB2 . 30628 1 381 . 1 1 39 39 HIS HB3 H 1 3.110 0.01 . . . . . . A 132 HIS HB3 . 30628 1 382 . 1 1 39 39 HIS HD2 H 1 7.365 0.00 . . . . . . A 132 HIS HD2 . 30628 1 383 . 1 1 39 39 HIS C C 13 177.771 0.00 . . . . . . A 132 HIS C . 30628 1 384 . 1 1 39 39 HIS CA C 13 58.030 0.06 . . . . . . A 132 HIS CA . 30628 1 385 . 1 1 39 39 HIS CB C 13 31.235 0.10 . . . . . . A 132 HIS CB . 30628 1 386 . 1 1 39 39 HIS CD2 C 13 121.600 0.00 . . . . . . A 132 HIS CD2 . 30628 1 387 . 1 1 39 39 HIS N N 15 113.939 0.04 . . . . . . A 132 HIS N . 30628 1 388 . 1 1 40 40 GLY H H 1 8.147 0.01 . . . . . . A 133 GLY H . 30628 1 389 . 1 1 40 40 GLY HA2 H 1 3.853 0.01 . . . . . . A 133 GLY HA2 . 30628 1 390 . 1 1 40 40 GLY HA3 H 1 3.475 0.01 . . . . . . A 133 GLY HA3 . 30628 1 391 . 1 1 40 40 GLY C C 13 172.596 0.00 . . . . . . A 133 GLY C . 30628 1 392 . 1 1 40 40 GLY CA C 13 44.759 0.03 . . . . . . A 133 GLY CA . 30628 1 393 . 1 1 40 40 GLY N N 15 107.604 0.06 . . . . . . A 133 GLY N . 30628 1 394 . 1 1 41 41 GLY H H 1 8.653 0.01 . . . . . . A 134 GLY H . 30628 1 395 . 1 1 41 41 GLY HA2 H 1 4.526 0.01 . . . . . . A 134 GLY HA2 . 30628 1 396 . 1 1 41 41 GLY HA3 H 1 3.864 0.01 . . . . . . A 134 GLY HA3 . 30628 1 397 . 1 1 41 41 GLY CA C 13 44.745 0.03 . . . . . . A 134 GLY CA . 30628 1 398 . 1 1 41 41 GLY N N 15 107.543 0.02 . . . . . . A 134 GLY N . 30628 1 399 . 1 1 42 42 GLU H H 1 8.600 0.01 . . . . . . A 135 GLU H . 30628 1 400 . 1 1 42 42 GLU HA H 1 5.161 0.01 . . . . . . A 135 GLU HA . 30628 1 401 . 1 1 42 42 GLU HB2 H 1 1.927 0.01 . . . . . . A 135 GLU HB2 . 30628 1 402 . 1 1 42 42 GLU HB3 H 1 1.841 0.00 . . . . . . A 135 GLU HB3 . 30628 1 403 . 1 1 42 42 GLU HG2 H 1 2.054 0.01 . . . . . . A 135 GLU HG2 . 30628 1 404 . 1 1 42 42 GLU HG3 H 1 2.109 0.01 . . . . . . A 135 GLU HG3 . 30628 1 405 . 1 1 42 42 GLU C C 13 176.008 0.00 . . . . . . A 135 GLU C . 30628 1 406 . 1 1 42 42 GLU CA C 13 55.654 0.05 . . . . . . A 135 GLU CA . 30628 1 407 . 1 1 42 42 GLU CB C 13 31.793 0.04 . . . . . . A 135 GLU CB . 30628 1 408 . 1 1 42 42 GLU CG C 13 36.573 0.04 . . . . . . A 135 GLU CG . 30628 1 409 . 1 1 42 42 GLU N N 15 121.554 0.03 . . . . . . A 135 GLU N . 30628 1 410 . 1 1 43 43 ARG H H 1 8.971 0.01 . . . . . . A 136 ARG H . 30628 1 411 . 1 1 43 43 ARG HA H 1 4.708 0.01 . . . . . . A 136 ARG HA . 30628 1 412 . 1 1 43 43 ARG HB2 H 1 1.571 0.01 . . . . . . A 136 ARG HB2 . 30628 1 413 . 1 1 43 43 ARG HB3 H 1 1.736 0.01 . . . . . . A 136 ARG HB3 . 30628 1 414 . 1 1 43 43 ARG HG2 H 1 1.405 0.01 . . . . . . A 136 ARG HG2 . 30628 1 415 . 1 1 43 43 ARG HG3 H 1 1.443 0.01 . . . . . . A 136 ARG HG3 . 30628 1 416 . 1 1 43 43 ARG HD2 H 1 3.190 0.01 . . . . . . A 136 ARG HD2 . 30628 1 417 . 1 1 43 43 ARG HD3 H 1 3.103 0.02 . . . . . . A 136 ARG HD3 . 30628 1 418 . 1 1 43 43 ARG CA C 13 53.970 0.08 . . . . . . A 136 ARG CA . 30628 1 419 . 1 1 43 43 ARG CB C 13 34.237 0.05 . . . . . . A 136 ARG CB . 30628 1 420 . 1 1 43 43 ARG CG C 13 26.631 0.04 . . . . . . A 136 ARG CG . 30628 1 421 . 1 1 43 43 ARG CD C 13 42.894 0.05 . . . . . . A 136 ARG CD . 30628 1 422 . 1 1 43 43 ARG N N 15 123.884 0.03 . . . . . . A 136 ARG N . 30628 1 423 . 1 1 44 44 VAL H H 1 8.542 0.01 . . . . . . A 137 VAL H . 30628 1 424 . 1 1 44 44 VAL HA H 1 4.787 0.00 . . . . . . A 137 VAL HA . 30628 1 425 . 1 1 44 44 VAL HB H 1 1.865 0.01 . . . . . . A 137 VAL HB . 30628 1 426 . 1 1 44 44 VAL HG11 H 1 0.894 0.01 . . . . . . A 137 VAL HG11 . 30628 1 427 . 1 1 44 44 VAL HG12 H 1 0.894 0.01 . . . . . . A 137 VAL HG12 . 30628 1 428 . 1 1 44 44 VAL HG13 H 1 0.894 0.01 . . . . . . A 137 VAL HG13 . 30628 1 429 . 1 1 44 44 VAL HG21 H 1 0.762 0.01 . . . . . . A 137 VAL HG21 . 30628 1 430 . 1 1 44 44 VAL HG22 H 1 0.762 0.01 . . . . . . A 137 VAL HG22 . 30628 1 431 . 1 1 44 44 VAL HG23 H 1 0.762 0.01 . . . . . . A 137 VAL HG23 . 30628 1 432 . 1 1 44 44 VAL C C 13 176.035 0.00 . . . . . . A 137 VAL C . 30628 1 433 . 1 1 44 44 VAL CA C 13 61.951 0.08 . . . . . . A 137 VAL CA . 30628 1 434 . 1 1 44 44 VAL CB C 13 32.469 0.10 . . . . . . A 137 VAL CB . 30628 1 435 . 1 1 44 44 VAL CG1 C 13 21.447 0.03 . . . . . . A 137 VAL CG1 . 30628 1 436 . 1 1 44 44 VAL CG2 C 13 21.599 0.08 . . . . . . A 137 VAL CG2 . 30628 1 437 . 1 1 44 44 VAL N N 15 123.548 0.07 . . . . . . A 137 VAL N . 30628 1 438 . 1 1 45 45 VAL H H 1 9.043 0.00 . . . . . . A 138 VAL H . 30628 1 439 . 1 1 45 45 VAL HA H 1 4.728 0.02 . . . . . . A 138 VAL HA . 30628 1 440 . 1 1 45 45 VAL HB H 1 2.039 0.01 . . . . . . A 138 VAL HB . 30628 1 441 . 1 1 45 45 VAL HG11 H 1 0.825 0.01 . . . . . . A 138 VAL HG11 . 30628 1 442 . 1 1 45 45 VAL HG12 H 1 0.825 0.01 . . . . . . A 138 VAL HG12 . 30628 1 443 . 1 1 45 45 VAL HG13 H 1 0.825 0.01 . . . . . . A 138 VAL HG13 . 30628 1 444 . 1 1 45 45 VAL HG21 H 1 0.762 0.01 . . . . . . A 138 VAL HG21 . 30628 1 445 . 1 1 45 45 VAL HG22 H 1 0.762 0.01 . . . . . . A 138 VAL HG22 . 30628 1 446 . 1 1 45 45 VAL HG23 H 1 0.762 0.01 . . . . . . A 138 VAL HG23 . 30628 1 447 . 1 1 45 45 VAL C C 13 173.625 0.00 . . . . . . A 138 VAL C . 30628 1 448 . 1 1 45 45 VAL CA C 13 59.020 0.05 . . . . . . A 138 VAL CA . 30628 1 449 . 1 1 45 45 VAL CB C 13 34.651 0.07 . . . . . . A 138 VAL CB . 30628 1 450 . 1 1 45 45 VAL CG1 C 13 21.434 0.06 . . . . . . A 138 VAL CG1 . 30628 1 451 . 1 1 45 45 VAL CG2 C 13 19.531 0.06 . . . . . . A 138 VAL CG2 . 30628 1 452 . 1 1 45 45 VAL N N 15 123.291 0.04 . . . . . . A 138 VAL N . 30628 1 453 . 1 1 46 46 GLU H H 1 8.559 0.00 . . . . . . A 139 GLU H . 30628 1 454 . 1 1 46 46 GLU HA H 1 5.254 0.01 . . . . . . A 139 GLU HA . 30628 1 455 . 1 1 46 46 GLU HB2 H 1 1.772 0.00 . . . . . . A 139 GLU HB2 . 30628 1 456 . 1 1 46 46 GLU HB3 H 1 1.865 0.01 . . . . . . A 139 GLU HB3 . 30628 1 457 . 1 1 46 46 GLU HG2 H 1 1.897 0.01 . . . . . . A 139 GLU HG2 . 30628 1 458 . 1 1 46 46 GLU HG3 H 1 1.968 0.00 . . . . . . A 139 GLU HG3 . 30628 1 459 . 1 1 46 46 GLU C C 13 175.320 0.00 . . . . . . A 139 GLU C . 30628 1 460 . 1 1 46 46 GLU CA C 13 54.708 0.07 . . . . . . A 139 GLU CA . 30628 1 461 . 1 1 46 46 GLU CB C 13 31.723 0.06 . . . . . . A 139 GLU CB . 30628 1 462 . 1 1 46 46 GLU CG C 13 36.827 0.05 . . . . . . A 139 GLU CG . 30628 1 463 . 1 1 46 46 GLU N N 15 123.663 0.04 . . . . . . A 139 GLU N . 30628 1 464 . 1 1 47 47 VAL H H 1 8.714 0.00 . . . . . . A 140 VAL H . 30628 1 465 . 1 1 47 47 VAL HA H 1 4.321 0.01 . . . . . . A 140 VAL HA . 30628 1 466 . 1 1 47 47 VAL HB H 1 1.829 0.01 . . . . . . A 140 VAL HB . 30628 1 467 . 1 1 47 47 VAL HG11 H 1 0.721 0.01 . . . . . . A 140 VAL HG11 . 30628 1 468 . 1 1 47 47 VAL HG12 H 1 0.721 0.01 . . . . . . A 140 VAL HG12 . 30628 1 469 . 1 1 47 47 VAL HG13 H 1 0.721 0.01 . . . . . . A 140 VAL HG13 . 30628 1 470 . 1 1 47 47 VAL C C 13 174.783 0.00 . . . . . . A 140 VAL C . 30628 1 471 . 1 1 47 47 VAL CA C 13 60.522 0.08 . . . . . . A 140 VAL CA . 30628 1 472 . 1 1 47 47 VAL CB C 13 34.313 0.04 . . . . . . A 140 VAL CB . 30628 1 473 . 1 1 47 47 VAL CG1 C 13 20.670 0.08 . . . . . . A 140 VAL CG1 . 30628 1 474 . 1 1 47 47 VAL CG2 C 13 21.130 0.02 . . . . . . A 140 VAL CG2 . 30628 1 475 . 1 1 47 47 VAL N N 15 124.185 0.05 . . . . . . A 140 VAL N . 30628 1 476 . 1 1 48 48 ALA H H 1 9.281 0.01 . . . . . . A 141 ALA H . 30628 1 477 . 1 1 48 48 ALA HA H 1 3.973 0.01 . . . . . . A 141 ALA HA . 30628 1 478 . 1 1 48 48 ALA HB1 H 1 1.144 0.01 . . . . . . A 141 ALA HB1 . 30628 1 479 . 1 1 48 48 ALA HB2 H 1 1.144 0.01 . . . . . . A 141 ALA HB2 . 30628 1 480 . 1 1 48 48 ALA HB3 H 1 1.144 0.01 . . . . . . A 141 ALA HB3 . 30628 1 481 . 1 1 48 48 ALA C C 13 177.210 0.00 . . . . . . A 141 ALA C . 30628 1 482 . 1 1 48 48 ALA CA C 13 52.828 0.06 . . . . . . A 141 ALA CA . 30628 1 483 . 1 1 48 48 ALA CB C 13 17.122 0.03 . . . . . . A 141 ALA CB . 30628 1 484 . 1 1 48 48 ALA N N 15 130.841 0.06 . . . . . . A 141 ALA N . 30628 1 485 . 1 1 49 49 GLY H H 1 8.706 0.01 . . . . . . A 142 GLY H . 30628 1 486 . 1 1 49 49 GLY HA2 H 1 4.119 0.01 . . . . . . A 142 GLY HA2 . 30628 1 487 . 1 1 49 49 GLY HA3 H 1 3.617 0.00 . . . . . . A 142 GLY HA3 . 30628 1 488 . 1 1 49 49 GLY C C 13 173.912 0.00 . . . . . . A 142 GLY C . 30628 1 489 . 1 1 49 49 GLY CA C 13 45.474 0.03 . . . . . . A 142 GLY CA . 30628 1 490 . 1 1 49 49 GLY N N 15 103.993 0.05 . . . . . . A 142 GLY N . 30628 1 491 . 1 1 50 50 ARG H H 1 7.973 0.00 . . . . . . A 143 ARG H . 30628 1 492 . 1 1 50 50 ARG HA H 1 4.600 0.01 . . . . . . A 143 ARG HA . 30628 1 493 . 1 1 50 50 ARG HB2 H 1 1.788 0.01 . . . . . . A 143 ARG HB2 . 30628 1 494 . 1 1 50 50 ARG HD2 H 1 3.185 0.00 . . . . . . A 143 ARG HD2 . 30628 1 495 . 1 1 50 50 ARG C C 13 174.444 0.00 . . . . . . A 143 ARG C . 30628 1 496 . 1 1 50 50 ARG CA C 13 54.758 0.04 . . . . . . A 143 ARG CA . 30628 1 497 . 1 1 50 50 ARG CB C 13 32.448 0.04 . . . . . . A 143 ARG CB . 30628 1 498 . 1 1 50 50 ARG CG C 13 27.080 0.03 . . . . . . A 143 ARG CG . 30628 1 499 . 1 1 50 50 ARG CD C 13 43.819 0.04 . . . . . . A 143 ARG CD . 30628 1 500 . 1 1 50 50 ARG N N 15 120.950 0.02 . . . . . . A 143 ARG N . 30628 1 501 . 1 1 51 51 ARG H H 1 8.485 0.01 . . . . . . A 144 ARG H . 30628 1 502 . 1 1 51 51 ARG HA H 1 4.892 0.01 . . . . . . A 144 ARG HA . 30628 1 503 . 1 1 51 51 ARG HB2 H 1 1.672 0.01 . . . . . . A 144 ARG HB2 . 30628 1 504 . 1 1 51 51 ARG HB3 H 1 1.572 0.01 . . . . . . A 144 ARG HB3 . 30628 1 505 . 1 1 51 51 ARG HG2 H 1 1.373 0.01 . . . . . . A 144 ARG HG2 . 30628 1 506 . 1 1 51 51 ARG HD2 H 1 3.148 0.01 . . . . . . A 144 ARG HD2 . 30628 1 507 . 1 1 51 51 ARG HD3 H 1 3.090 0.01 . . . . . . A 144 ARG HD3 . 30628 1 508 . 1 1 51 51 ARG C C 13 175.901 0.00 . . . . . . A 144 ARG C . 30628 1 509 . 1 1 51 51 ARG CA C 13 55.645 0.09 . . . . . . A 144 ARG CA . 30628 1 510 . 1 1 51 51 ARG CB C 13 31.041 0.08 . . . . . . A 144 ARG CB . 30628 1 511 . 1 1 51 51 ARG CG C 13 27.993 0.07 . . . . . . A 144 ARG CG . 30628 1 512 . 1 1 51 51 ARG CD C 13 43.473 0.09 . . . . . . A 144 ARG CD . 30628 1 513 . 1 1 51 51 ARG N N 15 122.977 0.06 . . . . . . A 144 ARG N . 30628 1 514 . 1 1 52 52 VAL H H 1 9.168 0.01 . . . . . . A 145 VAL H . 30628 1 515 . 1 1 52 52 VAL HA H 1 4.332 0.00 . . . . . . A 145 VAL HA . 30628 1 516 . 1 1 52 52 VAL HB H 1 1.907 0.01 . . . . . . A 145 VAL HB . 30628 1 517 . 1 1 52 52 VAL HG21 H 1 0.827 0.01 . . . . . . A 145 VAL HG21 . 30628 1 518 . 1 1 52 52 VAL HG22 H 1 0.827 0.01 . . . . . . A 145 VAL HG22 . 30628 1 519 . 1 1 52 52 VAL HG23 H 1 0.827 0.01 . . . . . . A 145 VAL HG23 . 30628 1 520 . 1 1 52 52 VAL C C 13 174.019 0.00 . . . . . . A 145 VAL C . 30628 1 521 . 1 1 52 52 VAL CA C 13 60.723 0.09 . . . . . . A 145 VAL CA . 30628 1 522 . 1 1 52 52 VAL CB C 13 35.150 0.06 . . . . . . A 145 VAL CB . 30628 1 523 . 1 1 52 52 VAL CG2 C 13 21.020 0.11 . . . . . . A 145 VAL CG2 . 30628 1 524 . 1 1 52 52 VAL N N 15 125.173 0.06 . . . . . . A 145 VAL N . 30628 1 525 . 1 1 53 53 SER H H 1 8.581 0.00 . . . . . . A 146 SER H . 30628 1 526 . 1 1 53 53 SER HA H 1 4.888 0.01 . . . . . . A 146 SER HA . 30628 1 527 . 1 1 53 53 SER HB2 H 1 3.789 0.01 . . . . . . A 146 SER HB2 . 30628 1 528 . 1 1 53 53 SER HB3 H 1 3.698 0.01 . . . . . . A 146 SER HB3 . 30628 1 529 . 1 1 53 53 SER C C 13 173.855 0.00 . . . . . . A 146 SER C . 30628 1 530 . 1 1 53 53 SER CA C 13 58.104 0.04 . . . . . . A 146 SER CA . 30628 1 531 . 1 1 53 53 SER CB C 13 63.102 0.03 . . . . . . A 146 SER CB . 30628 1 532 . 1 1 53 53 SER N N 15 121.797 0.07 . . . . . . A 146 SER N . 30628 1 533 . 1 1 54 54 VAL H H 1 9.154 0.01 . . . . . . A 147 VAL H . 30628 1 534 . 1 1 54 54 VAL HA H 1 4.335 0.01 . . . . . . A 147 VAL HA . 30628 1 535 . 1 1 54 54 VAL HB H 1 1.896 0.01 . . . . . . A 147 VAL HB . 30628 1 536 . 1 1 54 54 VAL HG11 H 1 0.770 0.01 . . . . . . A 147 VAL HG11 . 30628 1 537 . 1 1 54 54 VAL HG12 H 1 0.770 0.01 . . . . . . A 147 VAL HG12 . 30628 1 538 . 1 1 54 54 VAL HG13 H 1 0.770 0.01 . . . . . . A 147 VAL HG13 . 30628 1 539 . 1 1 54 54 VAL HG21 H 1 0.734 0.01 . . . . . . A 147 VAL HG21 . 30628 1 540 . 1 1 54 54 VAL HG22 H 1 0.734 0.01 . . . . . . A 147 VAL HG22 . 30628 1 541 . 1 1 54 54 VAL HG23 H 1 0.734 0.01 . . . . . . A 147 VAL HG23 . 30628 1 542 . 1 1 54 54 VAL C C 13 173.644 0.00 . . . . . . A 147 VAL C . 30628 1 543 . 1 1 54 54 VAL CA C 13 60.373 0.11 . . . . . . A 147 VAL CA . 30628 1 544 . 1 1 54 54 VAL CB C 13 34.870 0.12 . . . . . . A 147 VAL CB . 30628 1 545 . 1 1 54 54 VAL CG1 C 13 21.325 0.10 . . . . . . A 147 VAL CG1 . 30628 1 546 . 1 1 54 54 VAL CG2 C 13 21.168 0.06 . . . . . . A 147 VAL CG2 . 30628 1 547 . 1 1 54 54 VAL N N 15 125.524 0.05 . . . . . . A 147 VAL N . 30628 1 548 . 1 1 55 55 ARG H H 1 8.596 0.01 . . . . . . A 148 ARG H . 30628 1 549 . 1 1 55 55 ARG HA H 1 4.517 0.01 . . . . . . A 148 ARG HA . 30628 1 550 . 1 1 55 55 ARG HB2 H 1 1.750 0.00 . . . . . . A 148 ARG HB2 . 30628 1 551 . 1 1 55 55 ARG HB3 H 1 1.737 0.00 . . . . . . A 148 ARG HB3 . 30628 1 552 . 1 1 55 55 ARG HG2 H 1 1.373 0.01 . . . . . . A 148 ARG HG2 . 30628 1 553 . 1 1 55 55 ARG HG3 H 1 1.487 0.01 . . . . . . A 148 ARG HG3 . 30628 1 554 . 1 1 55 55 ARG HD2 H 1 3.156 0.01 . . . . . . A 148 ARG HD2 . 30628 1 555 . 1 1 55 55 ARG C C 13 174.693 0.00 . . . . . . A 148 ARG C . 30628 1 556 . 1 1 55 55 ARG CA C 13 55.054 0.07 . . . . . . A 148 ARG CA . 30628 1 557 . 1 1 55 55 ARG CB C 13 30.070 0.05 . . . . . . A 148 ARG CB . 30628 1 558 . 1 1 55 55 ARG CG C 13 27.638 0.07 . . . . . . A 148 ARG CG . 30628 1 559 . 1 1 55 55 ARG CD C 13 43.037 0.05 . . . . . . A 148 ARG CD . 30628 1 560 . 1 1 55 55 ARG N N 15 126.088 0.04 . . . . . . A 148 ARG N . 30628 1 561 . 1 1 56 56 ILE H H 1 8.891 0.01 . . . . . . A 149 ILE H . 30628 1 562 . 1 1 56 56 ILE HA H 1 4.297 0.01 . . . . . . A 149 ILE HA . 30628 1 563 . 1 1 56 56 ILE HB H 1 1.868 0.01 . . . . . . A 149 ILE HB . 30628 1 564 . 1 1 56 56 ILE HG12 H 1 1.393 0.01 . . . . . . A 149 ILE HG12 . 30628 1 565 . 1 1 56 56 ILE HG13 H 1 0.977 0.00 . . . . . . A 149 ILE HG13 . 30628 1 566 . 1 1 56 56 ILE HG21 H 1 0.864 0.01 . . . . . . A 149 ILE HG21 . 30628 1 567 . 1 1 56 56 ILE HG22 H 1 0.864 0.01 . . . . . . A 149 ILE HG22 . 30628 1 568 . 1 1 56 56 ILE HG23 H 1 0.864 0.01 . . . . . . A 149 ILE HG23 . 30628 1 569 . 1 1 56 56 ILE HD11 H 1 0.620 0.01 . . . . . . A 149 ILE HD11 . 30628 1 570 . 1 1 56 56 ILE HD12 H 1 0.620 0.01 . . . . . . A 149 ILE HD12 . 30628 1 571 . 1 1 56 56 ILE HD13 H 1 0.620 0.01 . . . . . . A 149 ILE HD13 . 30628 1 572 . 1 1 56 56 ILE CA C 13 57.545 0.04 . . . . . . A 149 ILE CA . 30628 1 573 . 1 1 56 56 ILE CB C 13 38.545 0.03 . . . . . . A 149 ILE CB . 30628 1 574 . 1 1 56 56 ILE CG1 C 13 27.646 0.06 . . . . . . A 149 ILE CG1 . 30628 1 575 . 1 1 56 56 ILE CG2 C 13 17.951 0.04 . . . . . . A 149 ILE CG2 . 30628 1 576 . 1 1 56 56 ILE CD1 C 13 13.707 0.03 . . . . . . A 149 ILE CD1 . 30628 1 577 . 1 1 56 56 ILE N N 15 128.642 0.04 . . . . . . A 149 ILE N . 30628 1 578 . 1 1 57 57 PRO HB3 H 1 2.277 0.01 . . . . . . A 150 PRO HB3 . 30628 1 579 . 1 1 57 57 PRO HG2 H 1 1.992 0.02 . . . . . . A 150 PRO HG2 . 30628 1 580 . 1 1 57 57 PRO HD2 H 1 3.774 0.00 . . . . . . A 150 PRO HD2 . 30628 1 581 . 1 1 57 57 PRO HD3 H 1 3.779 0.00 . . . . . . A 150 PRO HD3 . 30628 1 582 . 1 1 57 57 PRO CB C 13 32.105 0.08 . . . . . . A 150 PRO CB . 30628 1 583 . 1 1 57 57 PRO CG C 13 27.454 0.01 . . . . . . A 150 PRO CG . 30628 1 584 . 1 1 57 57 PRO CD C 13 51.167 0.01 . . . . . . A 150 PRO CD . 30628 1 585 . 1 1 58 58 PRO HA H 1 3.911 0.01 . . . . . . A 151 PRO HA . 30628 1 586 . 1 1 58 58 PRO HB2 H 1 2.089 0.01 . . . . . . A 151 PRO HB2 . 30628 1 587 . 1 1 58 58 PRO HB3 H 1 1.696 0.01 . . . . . . A 151 PRO HB3 . 30628 1 588 . 1 1 58 58 PRO HG2 H 1 1.970 0.00 . . . . . . A 151 PRO HG2 . 30628 1 589 . 1 1 58 58 PRO HD2 H 1 3.572 0.01 . . . . . . A 151 PRO HD2 . 30628 1 590 . 1 1 58 58 PRO HD3 H 1 3.820 0.00 . . . . . . A 151 PRO HD3 . 30628 1 591 . 1 1 58 58 PRO CA C 13 63.046 0.06 . . . . . . A 151 PRO CA . 30628 1 592 . 1 1 58 58 PRO CB C 13 31.640 0.01 . . . . . . A 151 PRO CB . 30628 1 593 . 1 1 58 58 PRO CG C 13 27.306 0.00 . . . . . . A 151 PRO CG . 30628 1 594 . 1 1 58 58 PRO CD C 13 49.931 0.03 . . . . . . A 151 PRO CD . 30628 1 595 . 1 1 59 59 GLY H H 1 8.578 0.01 . . . . . . A 152 GLY H . 30628 1 596 . 1 1 59 59 GLY HA2 H 1 3.889 0.00 . . . . . . A 152 GLY HA2 . 30628 1 597 . 1 1 59 59 GLY HA3 H 1 3.622 0.03 . . . . . . A 152 GLY HA3 . 30628 1 598 . 1 1 59 59 GLY C C 13 175.644 0.00 . . . . . . A 152 GLY C . 30628 1 599 . 1 1 59 59 GLY CA C 13 46.184 0.10 . . . . . . A 152 GLY CA . 30628 1 600 . 1 1 59 59 GLY N N 15 111.831 0.09 . . . . . . A 152 GLY N . 30628 1 601 . 1 1 60 60 VAL H H 1 7.202 0.00 . . . . . . A 153 VAL H . 30628 1 602 . 1 1 60 60 VAL HA H 1 4.063 0.01 . . . . . . A 153 VAL HA . 30628 1 603 . 1 1 60 60 VAL HB H 1 2.218 0.01 . . . . . . A 153 VAL HB . 30628 1 604 . 1 1 60 60 VAL HG11 H 1 0.937 0.01 . . . . . . A 153 VAL HG11 . 30628 1 605 . 1 1 60 60 VAL HG12 H 1 0.937 0.01 . . . . . . A 153 VAL HG12 . 30628 1 606 . 1 1 60 60 VAL HG13 H 1 0.937 0.01 . . . . . . A 153 VAL HG13 . 30628 1 607 . 1 1 60 60 VAL HG21 H 1 1.025 0.01 . . . . . . A 153 VAL HG21 . 30628 1 608 . 1 1 60 60 VAL HG22 H 1 1.025 0.01 . . . . . . A 153 VAL HG22 . 30628 1 609 . 1 1 60 60 VAL HG23 H 1 1.025 0.01 . . . . . . A 153 VAL HG23 . 30628 1 610 . 1 1 60 60 VAL C C 13 173.321 0.00 . . . . . . A 153 VAL C . 30628 1 611 . 1 1 60 60 VAL CA C 13 62.112 0.05 . . . . . . A 153 VAL CA . 30628 1 612 . 1 1 60 60 VAL CB C 13 32.573 0.04 . . . . . . A 153 VAL CB . 30628 1 613 . 1 1 60 60 VAL CG1 C 13 19.684 0.04 . . . . . . A 153 VAL CG1 . 30628 1 614 . 1 1 60 60 VAL CG2 C 13 21.767 0.03 . . . . . . A 153 VAL CG2 . 30628 1 615 . 1 1 60 60 VAL N N 15 114.882 0.03 . . . . . . A 153 VAL N . 30628 1 616 . 1 1 61 61 ARG H H 1 8.143 0.01 . . . . . . A 154 ARG H . 30628 1 617 . 1 1 61 61 ARG HA H 1 4.541 0.01 . . . . . . A 154 ARG HA . 30628 1 618 . 1 1 61 61 ARG HB2 H 1 1.695 0.01 . . . . . . A 154 ARG HB2 . 30628 1 619 . 1 1 61 61 ARG HB3 H 1 1.906 0.01 . . . . . . A 154 ARG HB3 . 30628 1 620 . 1 1 61 61 ARG HG3 H 1 1.685 0.00 . . . . . . A 154 ARG HG3 . 30628 1 621 . 1 1 61 61 ARG HD2 H 1 3.156 0.01 . . . . . . A 154 ARG HD2 . 30628 1 622 . 1 1 61 61 ARG C C 13 175.679 0.00 . . . . . . A 154 ARG C . 30628 1 623 . 1 1 61 61 ARG CA C 13 53.673 0.04 . . . . . . A 154 ARG CA . 30628 1 624 . 1 1 61 61 ARG CB C 13 33.015 0.07 . . . . . . A 154 ARG CB . 30628 1 625 . 1 1 61 61 ARG CG C 13 33.071 0.02 . . . . . . A 154 ARG CG . 30628 1 626 . 1 1 61 61 ARG CD C 13 43.393 0.08 . . . . . . A 154 ARG CD . 30628 1 627 . 1 1 61 61 ARG N N 15 118.145 0.05 . . . . . . A 154 ARG N . 30628 1 628 . 1 1 62 62 GLU H H 1 8.391 0.01 . . . . . . A 155 GLU H . 30628 1 629 . 1 1 62 62 GLU HA H 1 3.849 0.01 . . . . . . A 155 GLU HA . 30628 1 630 . 1 1 62 62 GLU HB2 H 1 2.158 0.01 . . . . . . A 155 GLU HB2 . 30628 1 631 . 1 1 62 62 GLU HB3 H 1 1.891 0.01 . . . . . . A 155 GLU HB3 . 30628 1 632 . 1 1 62 62 GLU HG2 H 1 2.409 0.00 . . . . . . A 155 GLU HG2 . 30628 1 633 . 1 1 62 62 GLU HG3 H 1 2.104 0.01 . . . . . . A 155 GLU HG3 . 30628 1 634 . 1 1 62 62 GLU C C 13 177.995 0.00 . . . . . . A 155 GLU C . 30628 1 635 . 1 1 62 62 GLU CA C 13 58.337 0.04 . . . . . . A 155 GLU CA . 30628 1 636 . 1 1 62 62 GLU CB C 13 29.363 0.04 . . . . . . A 155 GLU CB . 30628 1 637 . 1 1 62 62 GLU CG C 13 35.242 0.04 . . . . . . A 155 GLU CG . 30628 1 638 . 1 1 62 62 GLU N N 15 120.996 0.06 . . . . . . A 155 GLU N . 30628 1 639 . 1 1 63 63 GLY H H 1 9.323 0.01 . . . . . . A 156 GLY H . 30628 1 640 . 1 1 63 63 GLY HA2 H 1 4.301 0.01 . . . . . . A 156 GLY HA2 . 30628 1 641 . 1 1 63 63 GLY HA3 H 1 3.497 0.01 . . . . . . A 156 GLY HA3 . 30628 1 642 . 1 1 63 63 GLY C C 13 174.798 0.00 . . . . . . A 156 GLY C . 30628 1 643 . 1 1 63 63 GLY CA C 13 45.312 0.04 . . . . . . A 156 GLY CA . 30628 1 644 . 1 1 63 63 GLY N N 15 117.120 0.04 . . . . . . A 156 GLY N . 30628 1 645 . 1 1 64 64 SER H H 1 8.256 0.01 . . . . . . A 157 SER H . 30628 1 646 . 1 1 64 64 SER HA H 1 4.280 0.01 . . . . . . A 157 SER HA . 30628 1 647 . 1 1 64 64 SER HB2 H 1 3.867 0.01 . . . . . . A 157 SER HB2 . 30628 1 648 . 1 1 64 64 SER HB3 H 1 3.818 0.01 . . . . . . A 157 SER HB3 . 30628 1 649 . 1 1 64 64 SER C C 13 171.682 0.00 . . . . . . A 157 SER C . 30628 1 650 . 1 1 64 64 SER CA C 13 61.346 0.03 . . . . . . A 157 SER CA . 30628 1 651 . 1 1 64 64 SER CB C 13 63.541 0.03 . . . . . . A 157 SER CB . 30628 1 652 . 1 1 64 64 SER N N 15 118.620 0.06 . . . . . . A 157 SER N . 30628 1 653 . 1 1 65 65 VAL H H 1 8.425 0.00 . . . . . . A 158 VAL H . 30628 1 654 . 1 1 65 65 VAL HA H 1 4.992 0.01 . . . . . . A 158 VAL HA . 30628 1 655 . 1 1 65 65 VAL HB H 1 1.902 0.00 . . . . . . A 158 VAL HB . 30628 1 656 . 1 1 65 65 VAL HG11 H 1 0.753 0.01 . . . . . . A 158 VAL HG11 . 30628 1 657 . 1 1 65 65 VAL HG12 H 1 0.753 0.01 . . . . . . A 158 VAL HG12 . 30628 1 658 . 1 1 65 65 VAL HG13 H 1 0.753 0.01 . . . . . . A 158 VAL HG13 . 30628 1 659 . 1 1 65 65 VAL HG21 H 1 0.969 0.01 . . . . . . A 158 VAL HG21 . 30628 1 660 . 1 1 65 65 VAL HG22 H 1 0.969 0.01 . . . . . . A 158 VAL HG22 . 30628 1 661 . 1 1 65 65 VAL HG23 H 1 0.969 0.01 . . . . . . A 158 VAL HG23 . 30628 1 662 . 1 1 65 65 VAL C C 13 176.711 0.00 . . . . . . A 158 VAL C . 30628 1 663 . 1 1 65 65 VAL CA C 13 61.072 0.03 . . . . . . A 158 VAL CA . 30628 1 664 . 1 1 65 65 VAL CB C 13 33.801 0.04 . . . . . . A 158 VAL CB . 30628 1 665 . 1 1 65 65 VAL CG1 C 13 21.753 0.06 . . . . . . A 158 VAL CG1 . 30628 1 666 . 1 1 65 65 VAL CG2 C 13 21.671 0.06 . . . . . . A 158 VAL CG2 . 30628 1 667 . 1 1 65 65 VAL N N 15 122.103 0.02 . . . . . . A 158 VAL N . 30628 1 668 . 1 1 66 66 ILE H H 1 9.613 0.00 . . . . . . A 159 ILE H . 30628 1 669 . 1 1 66 66 ILE HA H 1 4.205 0.00 . . . . . . A 159 ILE HA . 30628 1 670 . 1 1 66 66 ILE HB H 1 1.747 0.00 . . . . . . A 159 ILE HB . 30628 1 671 . 1 1 66 66 ILE HG13 H 1 1.029 0.00 . . . . . . A 159 ILE HG13 . 30628 1 672 . 1 1 66 66 ILE HG21 H 1 0.810 0.00 . . . . . . A 159 ILE HG21 . 30628 1 673 . 1 1 66 66 ILE HG22 H 1 0.810 0.00 . . . . . . A 159 ILE HG22 . 30628 1 674 . 1 1 66 66 ILE HG23 H 1 0.810 0.00 . . . . . . A 159 ILE HG23 . 30628 1 675 . 1 1 66 66 ILE HD11 H 1 0.776 0.01 . . . . . . A 159 ILE HD11 . 30628 1 676 . 1 1 66 66 ILE HD12 H 1 0.776 0.01 . . . . . . A 159 ILE HD12 . 30628 1 677 . 1 1 66 66 ILE HD13 H 1 0.776 0.01 . . . . . . A 159 ILE HD13 . 30628 1 678 . 1 1 66 66 ILE C C 13 174.095 0.00 . . . . . . A 159 ILE C . 30628 1 679 . 1 1 66 66 ILE CA C 13 60.460 0.04 . . . . . . A 159 ILE CA . 30628 1 680 . 1 1 66 66 ILE CB C 13 40.195 0.04 . . . . . . A 159 ILE CB . 30628 1 681 . 1 1 66 66 ILE CG1 C 13 27.351 0.06 . . . . . . A 159 ILE CG1 . 30628 1 682 . 1 1 66 66 ILE CG2 C 13 17.291 0.03 . . . . . . A 159 ILE CG2 . 30628 1 683 . 1 1 66 66 ILE CD1 C 13 14.979 0.03 . . . . . . A 159 ILE CD1 . 30628 1 684 . 1 1 66 66 ILE N N 15 131.041 0.03 . . . . . . A 159 ILE N . 30628 1 685 . 1 1 67 67 ARG H H 1 8.781 0.00 . . . . . . A 160 ARG H . 30628 1 686 . 1 1 67 67 ARG HA H 1 4.927 0.01 . . . . . . A 160 ARG HA . 30628 1 687 . 1 1 67 67 ARG HB2 H 1 1.719 0.00 . . . . . . A 160 ARG HB2 . 30628 1 688 . 1 1 67 67 ARG HB3 H 1 1.767 0.01 . . . . . . A 160 ARG HB3 . 30628 1 689 . 1 1 67 67 ARG HG2 H 1 1.306 0.01 . . . . . . A 160 ARG HG2 . 30628 1 690 . 1 1 67 67 ARG HG3 H 1 0.995 0.01 . . . . . . A 160 ARG HG3 . 30628 1 691 . 1 1 67 67 ARG HD2 H 1 3.311 0.00 . . . . . . A 160 ARG HD2 . 30628 1 692 . 1 1 67 67 ARG HD3 H 1 3.091 0.01 . . . . . . A 160 ARG HD3 . 30628 1 693 . 1 1 67 67 ARG C C 13 175.837 0.00 . . . . . . A 160 ARG C . 30628 1 694 . 1 1 67 67 ARG CA C 13 55.076 0.06 . . . . . . A 160 ARG CA . 30628 1 695 . 1 1 67 67 ARG CB C 13 32.068 0.07 . . . . . . A 160 ARG CB . 30628 1 696 . 1 1 67 67 ARG CG C 13 28.756 0.04 . . . . . . A 160 ARG CG . 30628 1 697 . 1 1 67 67 ARG CD C 13 43.064 0.06 . . . . . . A 160 ARG CD . 30628 1 698 . 1 1 67 67 ARG N N 15 128.507 0.02 . . . . . . A 160 ARG N . 30628 1 699 . 1 1 68 68 VAL H H 1 9.830 0.01 . . . . . . A 161 VAL H . 30628 1 700 . 1 1 68 68 VAL HA H 1 4.595 0.00 . . . . . . A 161 VAL HA . 30628 1 701 . 1 1 68 68 VAL HB H 1 2.232 0.01 . . . . . . A 161 VAL HB . 30628 1 702 . 1 1 68 68 VAL HG11 H 1 0.905 0.01 . . . . . . A 161 VAL HG11 . 30628 1 703 . 1 1 68 68 VAL HG12 H 1 0.905 0.01 . . . . . . A 161 VAL HG12 . 30628 1 704 . 1 1 68 68 VAL HG13 H 1 0.905 0.01 . . . . . . A 161 VAL HG13 . 30628 1 705 . 1 1 68 68 VAL HG21 H 1 0.851 0.00 . . . . . . A 161 VAL HG21 . 30628 1 706 . 1 1 68 68 VAL HG22 H 1 0.851 0.00 . . . . . . A 161 VAL HG22 . 30628 1 707 . 1 1 68 68 VAL HG23 H 1 0.851 0.00 . . . . . . A 161 VAL HG23 . 30628 1 708 . 1 1 68 68 VAL CA C 13 59.372 0.03 . . . . . . A 161 VAL CA . 30628 1 709 . 1 1 68 68 VAL CB C 13 32.006 0.09 . . . . . . A 161 VAL CB . 30628 1 710 . 1 1 68 68 VAL CG1 C 13 22.328 0.02 . . . . . . A 161 VAL CG1 . 30628 1 711 . 1 1 68 68 VAL CG2 C 13 20.252 0.07 . . . . . . A 161 VAL CG2 . 30628 1 712 . 1 1 68 68 VAL N N 15 130.211 0.06 . . . . . . A 161 VAL N . 30628 1 713 . 1 1 69 69 PRO HA H 1 4.337 0.01 . . . . . . A 162 PRO HA . 30628 1 714 . 1 1 69 69 PRO HB2 H 1 2.286 0.01 . . . . . . A 162 PRO HB2 . 30628 1 715 . 1 1 69 69 PRO HB3 H 1 1.916 0.01 . . . . . . A 162 PRO HB3 . 30628 1 716 . 1 1 69 69 PRO HG2 H 1 1.820 0.01 . . . . . . A 162 PRO HG2 . 30628 1 717 . 1 1 69 69 PRO HD2 H 1 3.981 0.00 . . . . . . A 162 PRO HD2 . 30628 1 718 . 1 1 69 69 PRO HD3 H 1 3.798 0.01 . . . . . . A 162 PRO HD3 . 30628 1 719 . 1 1 69 69 PRO C C 13 178.742 0.00 . . . . . . A 162 PRO C . 30628 1 720 . 1 1 69 69 PRO CA C 13 63.036 0.07 . . . . . . A 162 PRO CA . 30628 1 721 . 1 1 69 69 PRO CB C 13 32.302 0.08 . . . . . . A 162 PRO CB . 30628 1 722 . 1 1 69 69 PRO CG C 13 27.622 0.03 . . . . . . A 162 PRO CG . 30628 1 723 . 1 1 69 69 PRO CD C 13 51.958 0.02 . . . . . . A 162 PRO CD . 30628 1 724 . 1 1 70 70 GLY H H 1 9.431 0.00 . . . . . . A 163 GLY H . 30628 1 725 . 1 1 70 70 GLY HA2 H 1 3.992 0.01 . . . . . . A 163 GLY HA2 . 30628 1 726 . 1 1 70 70 GLY HA3 H 1 3.719 0.01 . . . . . . A 163 GLY HA3 . 30628 1 727 . 1 1 70 70 GLY C C 13 175.121 0.00 . . . . . . A 163 GLY C . 30628 1 728 . 1 1 70 70 GLY CA C 13 46.985 0.05 . . . . . . A 163 GLY CA . 30628 1 729 . 1 1 70 70 GLY N N 15 110.886 0.04 . . . . . . A 163 GLY N . 30628 1 730 . 1 1 71 71 MET H H 1 6.571 0.00 . . . . . . A 164 MET H . 30628 1 731 . 1 1 71 71 MET HA H 1 5.004 0.01 . . . . . . A 164 MET HA . 30628 1 732 . 1 1 71 71 MET HB2 H 1 2.699 0.01 . . . . . . A 164 MET HB2 . 30628 1 733 . 1 1 71 71 MET HE1 H 1 2.063 0.01 . . . . . . A 164 MET HE1 . 30628 1 734 . 1 1 71 71 MET HE2 H 1 2.063 0.01 . . . . . . A 164 MET HE2 . 30628 1 735 . 1 1 71 71 MET HE3 H 1 2.063 0.01 . . . . . . A 164 MET HE3 . 30628 1 736 . 1 1 71 71 MET C C 13 174.929 0.00 . . . . . . A 164 MET C . 30628 1 737 . 1 1 71 71 MET CA C 13 53.436 0.04 . . . . . . A 164 MET CA . 30628 1 738 . 1 1 71 71 MET CB C 13 33.100 0.04 . . . . . . A 164 MET CB . 30628 1 739 . 1 1 71 71 MET CE C 13 18.008 0.00 . . . . . . A 164 MET CE . 30628 1 740 . 1 1 71 71 MET N N 15 115.379 0.03 . . . . . . A 164 MET N . 30628 1 741 . 1 1 72 72 GLY H H 1 8.177 0.00 . . . . . . A 165 GLY H . 30628 1 742 . 1 1 72 72 GLY HA2 H 1 4.055 0.01 . . . . . . A 165 GLY HA2 . 30628 1 743 . 1 1 72 72 GLY HA3 H 1 3.778 0.00 . . . . . . A 165 GLY HA3 . 30628 1 744 . 1 1 72 72 GLY C C 13 173.640 0.00 . . . . . . A 165 GLY C . 30628 1 745 . 1 1 72 72 GLY CA C 13 43.730 0.11 . . . . . . A 165 GLY CA . 30628 1 746 . 1 1 72 72 GLY N N 15 108.760 0.05 . . . . . . A 165 GLY N . 30628 1 747 . 1 1 73 73 GLY H H 1 8.751 0.01 . . . . . . A 166 GLY H . 30628 1 748 . 1 1 73 73 GLY HA2 H 1 3.910 0.01 . . . . . . A 166 GLY HA2 . 30628 1 749 . 1 1 73 73 GLY HA3 H 1 3.820 0.01 . . . . . . A 166 GLY HA3 . 30628 1 750 . 1 1 73 73 GLY C C 13 173.562 0.00 . . . . . . A 166 GLY C . 30628 1 751 . 1 1 73 73 GLY CA C 13 45.660 0.05 . . . . . . A 166 GLY CA . 30628 1 752 . 1 1 73 73 GLY N N 15 111.125 0.05 . . . . . . A 166 GLY N . 30628 1 753 . 1 1 74 74 GLN H H 1 8.529 0.00 . . . . . . A 167 GLN H . 30628 1 754 . 1 1 74 74 GLN HA H 1 4.200 0.00 . . . . . . A 167 GLN HA . 30628 1 755 . 1 1 74 74 GLN HB2 H 1 2.031 0.01 . . . . . . A 167 GLN HB2 . 30628 1 756 . 1 1 74 74 GLN HB3 H 1 2.077 0.02 . . . . . . A 167 GLN HB3 . 30628 1 757 . 1 1 74 74 GLN HG2 H 1 2.450 0.00 . . . . . . A 167 GLN HG2 . 30628 1 758 . 1 1 74 74 GLN C C 13 175.990 0.00 . . . . . . A 167 GLN C . 30628 1 759 . 1 1 74 74 GLN CA C 13 56.489 0.04 . . . . . . A 167 GLN CA . 30628 1 760 . 1 1 74 74 GLN CB C 13 29.141 0.04 . . . . . . A 167 GLN CB . 30628 1 761 . 1 1 74 74 GLN CG C 13 33.752 0.02 . . . . . . A 167 GLN CG . 30628 1 762 . 1 1 74 74 GLN N N 15 120.843 0.02 . . . . . . A 167 GLN N . 30628 1 763 . 1 1 75 75 GLY H H 1 7.998 0.01 . . . . . . A 168 GLY H . 30628 1 764 . 1 1 75 75 GLY HA2 H 1 3.878 0.01 . . . . . . A 168 GLY HA2 . 30628 1 765 . 1 1 75 75 GLY HA3 H 1 3.785 0.01 . . . . . . A 168 GLY HA3 . 30628 1 766 . 1 1 75 75 GLY C C 13 170.254 0.00 . . . . . . A 168 GLY C . 30628 1 767 . 1 1 75 75 GLY CA C 13 44.690 0.04 . . . . . . A 168 GLY CA . 30628 1 768 . 1 1 75 75 GLY N N 15 108.631 0.05 . . . . . . A 168 GLY N . 30628 1 769 . 1 1 76 76 ASN H H 1 8.074 0.00 . . . . . . A 169 ASN H . 30628 1 770 . 1 1 76 76 ASN HA H 1 5.216 0.01 . . . . . . A 169 ASN HA . 30628 1 771 . 1 1 76 76 ASN HB2 H 1 2.564 0.00 . . . . . . A 169 ASN HB2 . 30628 1 772 . 1 1 76 76 ASN HB3 H 1 2.739 0.00 . . . . . . A 169 ASN HB3 . 30628 1 773 . 1 1 76 76 ASN CA C 13 49.544 0.01 . . . . . . A 169 ASN CA . 30628 1 774 . 1 1 76 76 ASN CB C 13 39.901 0.01 . . . . . . A 169 ASN CB . 30628 1 775 . 1 1 76 76 ASN N N 15 116.944 0.04 . . . . . . A 169 ASN N . 30628 1 776 . 1 1 78 78 PRO HA H 1 4.320 0.01 . . . . . . A 171 PRO HA . 30628 1 777 . 1 1 78 78 PRO HB2 H 1 1.960 0.01 . . . . . . A 171 PRO HB2 . 30628 1 778 . 1 1 78 78 PRO HG2 H 1 2.168 0.01 . . . . . . A 171 PRO HG2 . 30628 1 779 . 1 1 78 78 PRO C C 13 177.698 0.00 . . . . . . A 171 PRO C . 30628 1 780 . 1 1 78 78 PRO CA C 13 62.696 0.07 . . . . . . A 171 PRO CA . 30628 1 781 . 1 1 78 78 PRO CB C 13 32.484 0.07 . . . . . . A 171 PRO CB . 30628 1 782 . 1 1 78 78 PRO CG C 13 27.654 0.04 . . . . . . A 171 PRO CG . 30628 1 783 . 1 1 78 78 PRO CD C 13 51.955 0.00 . . . . . . A 171 PRO CD . 30628 1 784 . 1 1 79 79 GLY H H 1 8.614 0.00 . . . . . . A 172 GLY H . 30628 1 785 . 1 1 79 79 GLY HA2 H 1 4.042 0.01 . . . . . . A 172 GLY HA2 . 30628 1 786 . 1 1 79 79 GLY HA3 H 1 3.447 0.01 . . . . . . A 172 GLY HA3 . 30628 1 787 . 1 1 79 79 GLY C C 13 172.843 0.00 . . . . . . A 172 GLY C . 30628 1 788 . 1 1 79 79 GLY CA C 13 43.740 0.07 . . . . . . A 172 GLY CA . 30628 1 789 . 1 1 79 79 GLY N N 15 106.452 0.05 . . . . . . A 172 GLY N . 30628 1 790 . 1 1 80 80 ASP H H 1 9.206 0.01 . . . . . . A 173 ASP H . 30628 1 791 . 1 1 80 80 ASP HA H 1 4.959 0.01 . . . . . . A 173 ASP HA . 30628 1 792 . 1 1 80 80 ASP HB2 H 1 2.353 0.01 . . . . . . A 173 ASP HB2 . 30628 1 793 . 1 1 80 80 ASP HB3 H 1 2.242 0.01 . . . . . . A 173 ASP HB3 . 30628 1 794 . 1 1 80 80 ASP C C 13 174.466 0.00 . . . . . . A 173 ASP C . 30628 1 795 . 1 1 80 80 ASP CA C 13 53.398 0.04 . . . . . . A 173 ASP CA . 30628 1 796 . 1 1 80 80 ASP CB C 13 42.824 0.06 . . . . . . A 173 ASP CB . 30628 1 797 . 1 1 80 80 ASP N N 15 118.536 0.03 . . . . . . A 173 ASP N . 30628 1 798 . 1 1 81 81 LEU H H 1 7.823 0.01 . . . . . . A 174 LEU H . 30628 1 799 . 1 1 81 81 LEU HA H 1 4.875 0.01 . . . . . . A 174 LEU HA . 30628 1 800 . 1 1 81 81 LEU HB2 H 1 1.105 0.01 . . . . . . A 174 LEU HB2 . 30628 1 801 . 1 1 81 81 LEU HB3 H 1 1.763 0.01 . . . . . . A 174 LEU HB3 . 30628 1 802 . 1 1 81 81 LEU HG H 1 1.273 0.01 . . . . . . A 174 LEU HG . 30628 1 803 . 1 1 81 81 LEU HD11 H 1 0.710 0.00 . . . . . . A 174 LEU HD11 . 30628 1 804 . 1 1 81 81 LEU HD12 H 1 0.710 0.00 . . . . . . A 174 LEU HD12 . 30628 1 805 . 1 1 81 81 LEU HD13 H 1 0.710 0.00 . . . . . . A 174 LEU HD13 . 30628 1 806 . 1 1 81 81 LEU HD21 H 1 0.735 0.01 . . . . . . A 174 LEU HD21 . 30628 1 807 . 1 1 81 81 LEU HD22 H 1 0.735 0.01 . . . . . . A 174 LEU HD22 . 30628 1 808 . 1 1 81 81 LEU HD23 H 1 0.735 0.01 . . . . . . A 174 LEU HD23 . 30628 1 809 . 1 1 81 81 LEU C C 13 173.612 0.00 . . . . . . A 174 LEU C . 30628 1 810 . 1 1 81 81 LEU CA C 13 53.174 0.06 . . . . . . A 174 LEU CA . 30628 1 811 . 1 1 81 81 LEU CB C 13 44.797 0.08 . . . . . . A 174 LEU CB . 30628 1 812 . 1 1 81 81 LEU CG C 13 27.694 0.02 . . . . . . A 174 LEU CG . 30628 1 813 . 1 1 81 81 LEU CD1 C 13 26.546 0.08 . . . . . . A 174 LEU CD1 . 30628 1 814 . 1 1 81 81 LEU CD2 C 13 23.298 0.11 . . . . . . A 174 LEU CD2 . 30628 1 815 . 1 1 81 81 LEU N N 15 120.970 0.04 . . . . . . A 174 LEU N . 30628 1 816 . 1 1 82 82 LEU H H 1 9.396 0.00 . . . . . . A 175 LEU H . 30628 1 817 . 1 1 82 82 LEU HA H 1 4.803 0.01 . . . . . . A 175 LEU HA . 30628 1 818 . 1 1 82 82 LEU HB2 H 1 1.170 0.01 . . . . . . A 175 LEU HB2 . 30628 1 819 . 1 1 82 82 LEU HB3 H 1 1.778 0.00 . . . . . . A 175 LEU HB3 . 30628 1 820 . 1 1 82 82 LEU HG H 1 1.463 0.01 . . . . . . A 175 LEU HG . 30628 1 821 . 1 1 82 82 LEU HD11 H 1 0.815 0.01 . . . . . . A 175 LEU HD11 . 30628 1 822 . 1 1 82 82 LEU HD12 H 1 0.815 0.01 . . . . . . A 175 LEU HD12 . 30628 1 823 . 1 1 82 82 LEU HD13 H 1 0.815 0.01 . . . . . . A 175 LEU HD13 . 30628 1 824 . 1 1 82 82 LEU HD21 H 1 0.752 0.01 . . . . . . A 175 LEU HD21 . 30628 1 825 . 1 1 82 82 LEU HD22 H 1 0.752 0.01 . . . . . . A 175 LEU HD22 . 30628 1 826 . 1 1 82 82 LEU HD23 H 1 0.752 0.01 . . . . . . A 175 LEU HD23 . 30628 1 827 . 1 1 82 82 LEU C C 13 174.422 0.00 . . . . . . A 175 LEU C . 30628 1 828 . 1 1 82 82 LEU CA C 13 53.413 0.09 . . . . . . A 175 LEU CA . 30628 1 829 . 1 1 82 82 LEU CB C 13 42.000 0.08 . . . . . . A 175 LEU CB . 30628 1 830 . 1 1 82 82 LEU CG C 13 27.731 0.08 . . . . . . A 175 LEU CG . 30628 1 831 . 1 1 82 82 LEU CD1 C 13 25.011 0.05 . . . . . . A 175 LEU CD1 . 30628 1 832 . 1 1 82 82 LEU CD2 C 13 23.771 0.07 . . . . . . A 175 LEU CD2 . 30628 1 833 . 1 1 82 82 LEU N N 15 129.277 0.07 . . . . . . A 175 LEU N . 30628 1 834 . 1 1 83 83 LEU H H 1 8.923 0.00 . . . . . . A 176 LEU H . 30628 1 835 . 1 1 83 83 LEU HA H 1 5.129 0.01 . . . . . . A 176 LEU HA . 30628 1 836 . 1 1 83 83 LEU HB2 H 1 1.956 0.01 . . . . . . A 176 LEU HB2 . 30628 1 837 . 1 1 83 83 LEU HB3 H 1 1.169 0.01 . . . . . . A 176 LEU HB3 . 30628 1 838 . 1 1 83 83 LEU HD11 H 1 0.761 0.00 . . . . . . A 176 LEU HD11 . 30628 1 839 . 1 1 83 83 LEU HD12 H 1 0.761 0.00 . . . . . . A 176 LEU HD12 . 30628 1 840 . 1 1 83 83 LEU HD13 H 1 0.761 0.00 . . . . . . A 176 LEU HD13 . 30628 1 841 . 1 1 83 83 LEU HD21 H 1 0.786 0.01 . . . . . . A 176 LEU HD21 . 30628 1 842 . 1 1 83 83 LEU HD22 H 1 0.786 0.01 . . . . . . A 176 LEU HD22 . 30628 1 843 . 1 1 83 83 LEU HD23 H 1 0.786 0.01 . . . . . . A 176 LEU HD23 . 30628 1 844 . 1 1 83 83 LEU C C 13 175.329 0.00 . . . . . . A 176 LEU C . 30628 1 845 . 1 1 83 83 LEU CA C 13 52.522 0.04 . . . . . . A 176 LEU CA . 30628 1 846 . 1 1 83 83 LEU CB C 13 43.065 0.08 . . . . . . A 176 LEU CB . 30628 1 847 . 1 1 83 83 LEU CG C 13 27.250 0.00 . . . . . . A 176 LEU CG . 30628 1 848 . 1 1 83 83 LEU CD1 C 13 24.894 0.06 . . . . . . A 176 LEU CD1 . 30628 1 849 . 1 1 83 83 LEU CD2 C 13 27.366 0.06 . . . . . . A 176 LEU CD2 . 30628 1 850 . 1 1 83 83 LEU N N 15 123.321 0.03 . . . . . . A 176 LEU N . 30628 1 851 . 1 1 84 84 VAL H H 1 8.821 0.01 . . . . . . A 177 VAL H . 30628 1 852 . 1 1 84 84 VAL HA H 1 4.542 0.01 . . . . . . A 177 VAL HA . 30628 1 853 . 1 1 84 84 VAL HB H 1 1.870 0.01 . . . . . . A 177 VAL HB . 30628 1 854 . 1 1 84 84 VAL HG11 H 1 0.795 0.00 . . . . . . A 177 VAL HG11 . 30628 1 855 . 1 1 84 84 VAL HG12 H 1 0.795 0.00 . . . . . . A 177 VAL HG12 . 30628 1 856 . 1 1 84 84 VAL HG13 H 1 0.795 0.00 . . . . . . A 177 VAL HG13 . 30628 1 857 . 1 1 84 84 VAL HG21 H 1 0.834 0.01 . . . . . . A 177 VAL HG21 . 30628 1 858 . 1 1 84 84 VAL HG22 H 1 0.834 0.01 . . . . . . A 177 VAL HG22 . 30628 1 859 . 1 1 84 84 VAL HG23 H 1 0.834 0.01 . . . . . . A 177 VAL HG23 . 30628 1 860 . 1 1 84 84 VAL C C 13 176.139 0.00 . . . . . . A 177 VAL C . 30628 1 861 . 1 1 84 84 VAL CA C 13 60.937 0.06 . . . . . . A 177 VAL CA . 30628 1 862 . 1 1 84 84 VAL CB C 13 32.793 0.04 . . . . . . A 177 VAL CB . 30628 1 863 . 1 1 84 84 VAL CG1 C 13 20.732 0.04 . . . . . . A 177 VAL CG1 . 30628 1 864 . 1 1 84 84 VAL CG2 C 13 20.653 0.09 . . . . . . A 177 VAL CG2 . 30628 1 865 . 1 1 84 84 VAL N N 15 123.634 0.04 . . . . . . A 177 VAL N . 30628 1 866 . 1 1 85 85 VAL H H 1 9.040 0.00 . . . . . . A 178 VAL H . 30628 1 867 . 1 1 85 85 VAL HA H 1 4.106 0.01 . . . . . . A 178 VAL HA . 30628 1 868 . 1 1 85 85 VAL HB H 1 2.219 0.00 . . . . . . A 178 VAL HB . 30628 1 869 . 1 1 85 85 VAL HG11 H 1 0.652 0.01 . . . . . . A 178 VAL HG11 . 30628 1 870 . 1 1 85 85 VAL HG12 H 1 0.652 0.01 . . . . . . A 178 VAL HG12 . 30628 1 871 . 1 1 85 85 VAL HG13 H 1 0.652 0.01 . . . . . . A 178 VAL HG13 . 30628 1 872 . 1 1 85 85 VAL HG21 H 1 0.902 0.01 . . . . . . A 178 VAL HG21 . 30628 1 873 . 1 1 85 85 VAL HG22 H 1 0.902 0.01 . . . . . . A 178 VAL HG22 . 30628 1 874 . 1 1 85 85 VAL HG23 H 1 0.902 0.01 . . . . . . A 178 VAL HG23 . 30628 1 875 . 1 1 85 85 VAL C C 13 175.763 0.00 . . . . . . A 178 VAL C . 30628 1 876 . 1 1 85 85 VAL CA C 13 64.504 0.04 . . . . . . A 178 VAL CA . 30628 1 877 . 1 1 85 85 VAL CB C 13 31.853 0.05 . . . . . . A 178 VAL CB . 30628 1 878 . 1 1 85 85 VAL CG1 C 13 21.843 0.08 . . . . . . A 178 VAL CG1 . 30628 1 879 . 1 1 85 85 VAL CG2 C 13 22.301 0.06 . . . . . . A 178 VAL CG2 . 30628 1 880 . 1 1 85 85 VAL N N 15 129.693 0.05 . . . . . . A 178 VAL N . 30628 1 881 . 1 1 86 86 ARG H H 1 8.214 0.01 . . . . . . A 179 ARG H . 30628 1 882 . 1 1 86 86 ARG HB2 H 1 1.548 0.00 . . . . . . A 179 ARG HB2 . 30628 1 883 . 1 1 86 86 ARG HB3 H 1 1.534 0.01 . . . . . . A 179 ARG HB3 . 30628 1 884 . 1 1 86 86 ARG HG2 H 1 1.438 0.00 . . . . . . A 179 ARG HG2 . 30628 1 885 . 1 1 86 86 ARG HG3 H 1 1.651 0.01 . . . . . . A 179 ARG HG3 . 30628 1 886 . 1 1 86 86 ARG HD2 H 1 3.202 0.01 . . . . . . A 179 ARG HD2 . 30628 1 887 . 1 1 86 86 ARG C C 13 174.643 0.00 . . . . . . A 179 ARG C . 30628 1 888 . 1 1 86 86 ARG CA C 13 52.930 0.04 . . . . . . A 179 ARG CA . 30628 1 889 . 1 1 86 86 ARG CB C 13 32.072 0.06 . . . . . . A 179 ARG CB . 30628 1 890 . 1 1 86 86 ARG CG C 13 26.090 0.06 . . . . . . A 179 ARG CG . 30628 1 891 . 1 1 86 86 ARG CD C 13 42.745 0.05 . . . . . . A 179 ARG CD . 30628 1 892 . 1 1 86 86 ARG N N 15 130.103 0.03 . . . . . . A 179 ARG N . 30628 1 893 . 1 1 87 87 LEU H H 1 9.117 0.01 . . . . . . A 180 LEU H . 30628 1 894 . 1 1 87 87 LEU HA H 1 5.065 0.01 . . . . . . A 180 LEU HA . 30628 1 895 . 1 1 87 87 LEU HB2 H 1 1.789 0.01 . . . . . . A 180 LEU HB2 . 30628 1 896 . 1 1 87 87 LEU HB3 H 1 1.328 0.01 . . . . . . A 180 LEU HB3 . 30628 1 897 . 1 1 87 87 LEU HG H 1 1.526 0.01 . . . . . . A 180 LEU HG . 30628 1 898 . 1 1 87 87 LEU HD11 H 1 0.913 0.01 . . . . . . A 180 LEU HD11 . 30628 1 899 . 1 1 87 87 LEU HD12 H 1 0.913 0.01 . . . . . . A 180 LEU HD12 . 30628 1 900 . 1 1 87 87 LEU HD13 H 1 0.913 0.01 . . . . . . A 180 LEU HD13 . 30628 1 901 . 1 1 87 87 LEU HD21 H 1 0.620 0.01 . . . . . . A 180 LEU HD21 . 30628 1 902 . 1 1 87 87 LEU HD22 H 1 0.620 0.01 . . . . . . A 180 LEU HD22 . 30628 1 903 . 1 1 87 87 LEU HD23 H 1 0.620 0.01 . . . . . . A 180 LEU HD23 . 30628 1 904 . 1 1 87 87 LEU C C 13 177.969 0.00 . . . . . . A 180 LEU C . 30628 1 905 . 1 1 87 87 LEU CA C 13 53.689 0.07 . . . . . . A 180 LEU CA . 30628 1 906 . 1 1 87 87 LEU CB C 13 41.691 0.04 . . . . . . A 180 LEU CB . 30628 1 907 . 1 1 87 87 LEU CG C 13 27.431 0.06 . . . . . . A 180 LEU CG . 30628 1 908 . 1 1 87 87 LEU CD1 C 13 25.934 0.04 . . . . . . A 180 LEU CD1 . 30628 1 909 . 1 1 87 87 LEU CD2 C 13 23.535 0.06 . . . . . . A 180 LEU CD2 . 30628 1 910 . 1 1 87 87 LEU N N 15 124.785 0.06 . . . . . . A 180 LEU N . 30628 1 911 . 1 1 88 88 LEU H H 1 8.711 0.01 . . . . . . A 181 LEU H . 30628 1 912 . 1 1 88 88 LEU HA H 1 4.519 0.01 . . . . . . A 181 LEU HA . 30628 1 913 . 1 1 88 88 LEU HB3 H 1 1.507 0.01 . . . . . . A 181 LEU HB3 . 30628 1 914 . 1 1 88 88 LEU HG H 1 1.662 0.00 . . . . . . A 181 LEU HG . 30628 1 915 . 1 1 88 88 LEU HD11 H 1 0.844 0.01 . . . . . . A 181 LEU HD11 . 30628 1 916 . 1 1 88 88 LEU HD12 H 1 0.844 0.01 . . . . . . A 181 LEU HD12 . 30628 1 917 . 1 1 88 88 LEU HD13 H 1 0.844 0.01 . . . . . . A 181 LEU HD13 . 30628 1 918 . 1 1 88 88 LEU HD21 H 1 0.920 0.01 . . . . . . A 181 LEU HD21 . 30628 1 919 . 1 1 88 88 LEU HD22 H 1 0.920 0.01 . . . . . . A 181 LEU HD22 . 30628 1 920 . 1 1 88 88 LEU HD23 H 1 0.920 0.01 . . . . . . A 181 LEU HD23 . 30628 1 921 . 1 1 88 88 LEU CA C 13 52.821 0.04 . . . . . . A 181 LEU CA . 30628 1 922 . 1 1 88 88 LEU CB C 13 42.041 0.08 . . . . . . A 181 LEU CB . 30628 1 923 . 1 1 88 88 LEU CG C 13 27.272 0.08 . . . . . . A 181 LEU CG . 30628 1 924 . 1 1 88 88 LEU CD1 C 13 25.472 0.10 . . . . . . A 181 LEU CD1 . 30628 1 925 . 1 1 88 88 LEU CD2 C 13 22.998 0.05 . . . . . . A 181 LEU CD2 . 30628 1 926 . 1 1 88 88 LEU N N 15 126.793 0.06 . . . . . . A 181 LEU N . 30628 1 927 . 1 1 89 89 PRO HA H 1 4.464 0.01 . . . . . . A 182 PRO HA . 30628 1 928 . 1 1 89 89 PRO HB2 H 1 1.970 0.01 . . . . . . A 182 PRO HB2 . 30628 1 929 . 1 1 89 89 PRO HB3 H 1 2.254 0.01 . . . . . . A 182 PRO HB3 . 30628 1 930 . 1 1 89 89 PRO HG2 H 1 2.028 0.01 . . . . . . A 182 PRO HG2 . 30628 1 931 . 1 1 89 89 PRO HD2 H 1 3.812 0.00 . . . . . . A 182 PRO HD2 . 30628 1 932 . 1 1 89 89 PRO HD3 H 1 3.645 0.01 . . . . . . A 182 PRO HD3 . 30628 1 933 . 1 1 89 89 PRO C C 13 175.708 0.00 . . . . . . A 182 PRO C . 30628 1 934 . 1 1 89 89 PRO CA C 13 63.379 0.04 . . . . . . A 182 PRO CA . 30628 1 935 . 1 1 89 89 PRO CB C 13 31.769 0.04 . . . . . . A 182 PRO CB . 30628 1 936 . 1 1 89 89 PRO CG C 13 27.234 0.08 . . . . . . A 182 PRO CG . 30628 1 937 . 1 1 89 89 PRO CD C 13 50.400 0.03 . . . . . . A 182 PRO CD . 30628 1 938 . 1 1 90 90 HIS H H 1 7.771 0.01 . . . . . . A 183 HIS H . 30628 1 939 . 1 1 90 90 HIS N N 15 123.100 0.04 . . . . . . A 183 HIS N . 30628 1 stop_ save_