data_30627 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30627 _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' 30627 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. . . . 30627 2 P. Rossi P. . . . 30627 3 C. Kalodimos C. G. . . 30627 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID CHAPERONE . 30627 'Client Recognition' . 30627 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30627 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 338 30627 '15N chemical shifts' 80 30627 '1H chemical shifts' 537 30627 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 . 30627 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6PPT . 30627 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30627 _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. . . . 30627 1 2 P. Rossi P. . . . 30627 1 3 C. Kalodimos C. G. . . 30627 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30627 _Assembly.ID 1 _Assembly.Name 'Alkaline phosphatase,Chaperone protein DnaJ 2 (E.C.3.1.3.1)' _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 . . . . . . 30627 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30627 _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 ; MSTIALALLPLGSGGSGGSG 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 3.1.3.1 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9138.532 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID APase na 30627 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 94 MET . 30627 1 2 95 SER . 30627 1 3 96 THR . 30627 1 4 97 ILE . 30627 1 5 98 ALA . 30627 1 6 99 LEU . 30627 1 7 100 ALA . 30627 1 8 101 LEU . 30627 1 9 102 LEU . 30627 1 10 103 PRO . 30627 1 11 104 LEU . 30627 1 12 105 GLY . 30627 1 13 106 SER . 30627 1 14 107 GLY . 30627 1 15 108 GLY . 30627 1 16 109 SER . 30627 1 17 110 GLY . 30627 1 18 111 GLY . 30627 1 19 112 SER . 30627 1 20 113 GLY . 30627 1 21 114 GLY . 30627 1 22 115 SER . 30627 1 23 116 GLY . 30627 1 24 117 ARG . 30627 1 25 118 ASP . 30627 1 26 119 LEU . 30627 1 27 120 ARG . 30627 1 28 121 ALA . 30627 1 29 122 GLU . 30627 1 30 123 LEU . 30627 1 31 124 PRO . 30627 1 32 125 LEU . 30627 1 33 126 THR . 30627 1 34 127 LEU . 30627 1 35 128 GLU . 30627 1 36 129 GLU . 30627 1 37 130 ALA . 30627 1 38 131 PHE . 30627 1 39 132 HIS . 30627 1 40 133 GLY . 30627 1 41 134 GLY . 30627 1 42 135 GLU . 30627 1 43 136 ARG . 30627 1 44 137 VAL . 30627 1 45 138 VAL . 30627 1 46 139 GLU . 30627 1 47 140 VAL . 30627 1 48 141 ALA . 30627 1 49 142 GLY . 30627 1 50 143 ARG . 30627 1 51 144 ARG . 30627 1 52 145 VAL . 30627 1 53 146 SER . 30627 1 54 147 VAL . 30627 1 55 148 ARG . 30627 1 56 149 ILE . 30627 1 57 150 PRO . 30627 1 58 151 PRO . 30627 1 59 152 GLY . 30627 1 60 153 VAL . 30627 1 61 154 ARG . 30627 1 62 155 GLU . 30627 1 63 156 GLY . 30627 1 64 157 SER . 30627 1 65 158 VAL . 30627 1 66 159 ILE . 30627 1 67 160 ARG . 30627 1 68 161 VAL . 30627 1 69 162 PRO . 30627 1 70 163 GLY . 30627 1 71 164 MET . 30627 1 72 165 GLY . 30627 1 73 166 GLY . 30627 1 74 167 GLN . 30627 1 75 168 GLY . 30627 1 76 169 ASN . 30627 1 77 170 PRO . 30627 1 78 171 PRO . 30627 1 79 172 GLY . 30627 1 80 173 ASP . 30627 1 81 174 LEU . 30627 1 82 175 LEU . 30627 1 83 176 LEU . 30627 1 84 177 VAL . 30627 1 85 178 VAL . 30627 1 86 179 ARG . 30627 1 87 180 LEU . 30627 1 88 181 LEU . 30627 1 89 182 PRO . 30627 1 90 183 HIS . 30627 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 30627 1 . SER 2 2 30627 1 . THR 3 3 30627 1 . ILE 4 4 30627 1 . ALA 5 5 30627 1 . LEU 6 6 30627 1 . ALA 7 7 30627 1 . LEU 8 8 30627 1 . LEU 9 9 30627 1 . PRO 10 10 30627 1 . LEU 11 11 30627 1 . GLY 12 12 30627 1 . SER 13 13 30627 1 . GLY 14 14 30627 1 . GLY 15 15 30627 1 . SER 16 16 30627 1 . GLY 17 17 30627 1 . GLY 18 18 30627 1 . SER 19 19 30627 1 . GLY 20 20 30627 1 . GLY 21 21 30627 1 . SER 22 22 30627 1 . GLY 23 23 30627 1 . ARG 24 24 30627 1 . ASP 25 25 30627 1 . LEU 26 26 30627 1 . ARG 27 27 30627 1 . ALA 28 28 30627 1 . GLU 29 29 30627 1 . LEU 30 30 30627 1 . PRO 31 31 30627 1 . LEU 32 32 30627 1 . THR 33 33 30627 1 . LEU 34 34 30627 1 . GLU 35 35 30627 1 . GLU 36 36 30627 1 . ALA 37 37 30627 1 . PHE 38 38 30627 1 . HIS 39 39 30627 1 . GLY 40 40 30627 1 . GLY 41 41 30627 1 . GLU 42 42 30627 1 . ARG 43 43 30627 1 . VAL 44 44 30627 1 . VAL 45 45 30627 1 . GLU 46 46 30627 1 . VAL 47 47 30627 1 . ALA 48 48 30627 1 . GLY 49 49 30627 1 . ARG 50 50 30627 1 . ARG 51 51 30627 1 . VAL 52 52 30627 1 . SER 53 53 30627 1 . VAL 54 54 30627 1 . ARG 55 55 30627 1 . ILE 56 56 30627 1 . PRO 57 57 30627 1 . PRO 58 58 30627 1 . GLY 59 59 30627 1 . VAL 60 60 30627 1 . ARG 61 61 30627 1 . GLU 62 62 30627 1 . GLY 63 63 30627 1 . SER 64 64 30627 1 . VAL 65 65 30627 1 . ILE 66 66 30627 1 . ARG 67 67 30627 1 . VAL 68 68 30627 1 . PRO 69 69 30627 1 . GLY 70 70 30627 1 . MET 71 71 30627 1 . GLY 72 72 30627 1 . GLY 73 73 30627 1 . GLN 74 74 30627 1 . GLY 75 75 30627 1 . ASN 76 76 30627 1 . PRO 77 77 30627 1 . PRO 78 78 30627 1 . GLY 79 79 30627 1 . ASP 80 80 30627 1 . LEU 81 81 30627 1 . LEU 82 82 30627 1 . LEU 83 83 30627 1 . VAL 84 84 30627 1 . VAL 85 85 30627 1 . ARG 86 86 30627 1 . LEU 87 87 30627 1 . LEU 88 88 30627 1 . PRO 89 89 30627 1 . HIS 90 90 30627 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 30627 _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 . 83333 organism . 'Escherichia coli (strain K12)' 'E. coli' . . Bacteria . Escherichia coli K12 . . . . . . . . . . 'phoA, b0383, JW0374' . 30627 1 2 1 $entity_1 . 300852 organism . 'Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579)' 'Thermus thermophilus' . . Bacteria . Thermus thermophilus 'HB8 / ATCC 27634 / DSM 579' . . . . . . . . . . 'dnaJ2, TTHA1489' . 30627 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 30627 _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) . . . . . . . . . 30627 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30627 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM [U-13C; U-15N] PhoA-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 PhoA-CBD1 '[U-13C; U-15N]' . . 1 $entity_1 . . 1 . . mM . . . . 30627 1 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 30627 1 3 'potassium chloride' 'natural abundance' . . . . . . 75 . . mM . . . . 30627 1 4 'sodium azide' 'natural abundance' . . . . . . 0.04 . . % . . . . 30627 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 30627 _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' 120 . mM 30627 1 pH 7.0 . pH 30627 1 pressure 1 . atm 30627 1 temperature 298 . K 30627 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30627 _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' . . 30627 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 30627 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30627 _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' . . 30627 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure calculation' 30627 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30627 _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' . . 30627 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 30627 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30627 _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 & Kneller' . . 30627 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'peak picking' 30627 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30627 _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' . . 30627 5 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'geometry optimization' 30627 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 30627 _Software.ID 6 _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' . . 30627 6 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 30627 6 stop_ save_ save_software_7 _Software.Sf_category software _Software.Sf_framecode software_7 _Software.Entry_ID 30627 _Software.ID 7 _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' . . 30627 7 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 30627 7 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 30627 _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 30627 _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 . . . 30627 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 30627 _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-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30627 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30627 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30627 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30627 1 5 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30627 1 6 '3D CCH-NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30627 1 7 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30627 1 8 '3D CCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30627 1 9 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30627 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 30627 _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 . . . . . 30627 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30627 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30627 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 30627 _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-13C HSQC' . . . 30627 1 2 '2D 1H-15N HSQC' . . . 30627 1 3 '3D HNCACB' . . . 30627 1 4 '3D 1H-15N NOESY' . . . 30627 1 5 '3D 1H-13C NOESY' . . . 30627 1 6 '3D CCH-NOESY' . . . 30627 1 7 '3D HNCO' . . . 30627 1 8 '3D CCH-TOCSY' . . . 30627 1 9 '3D HBHA(CO)NH' . . . 30627 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 4.480 0.01 . . . . . . A 94 MET HA . 30627 1 2 . 1 1 1 1 MET HB2 H 1 1.960 0.00 . . . . . . A 94 MET HB2 . 30627 1 3 . 1 1 1 1 MET HG3 H 1 1.950 0.00 . . . . . . A 94 MET HG3 . 30627 1 4 . 1 1 1 1 MET CA C 13 55.322 0.00 . . . . . . A 94 MET CA . 30627 1 5 . 1 1 1 1 MET CG C 13 33.290 0.03 . . . . . . A 94 MET CG . 30627 1 6 . 1 1 2 2 SER H H 1 8.515 0.00 . . . . . . A 95 SER H . 30627 1 7 . 1 1 2 2 SER HA H 1 4.463 0.01 . . . . . . A 95 SER HA . 30627 1 8 . 1 1 2 2 SER HB2 H 1 3.889 0.01 . . . . . . A 95 SER HB2 . 30627 1 9 . 1 1 2 2 SER HB3 H 1 3.880 0.00 . . . . . . A 95 SER HB3 . 30627 1 10 . 1 1 2 2 SER C C 13 174.588 0.00 . . . . . . A 95 SER C . 30627 1 11 . 1 1 2 2 SER CA C 13 58.586 0.02 . . . . . . A 95 SER CA . 30627 1 12 . 1 1 2 2 SER CB C 13 63.949 0.06 . . . . . . A 95 SER CB . 30627 1 13 . 1 1 2 2 SER N N 15 117.795 0.02 . . . . . . A 95 SER N . 30627 1 14 . 1 1 3 3 THR H H 1 8.459 0.00 . . . . . . A 96 THR H . 30627 1 15 . 1 1 3 3 THR HA H 1 4.595 0.01 . . . . . . A 96 THR HA . 30627 1 16 . 1 1 3 3 THR HB H 1 4.077 0.01 . . . . . . A 96 THR HB . 30627 1 17 . 1 1 3 3 THR HG21 H 1 1.097 0.00 . . . . . . A 96 THR HG21 . 30627 1 18 . 1 1 3 3 THR HG22 H 1 1.097 0.00 . . . . . . A 96 THR HG22 . 30627 1 19 . 1 1 3 3 THR HG23 H 1 1.097 0.00 . . . . . . A 96 THR HG23 . 30627 1 20 . 1 1 3 3 THR C C 13 174.306 0.00 . . . . . . A 96 THR C . 30627 1 21 . 1 1 3 3 THR CA C 13 62.405 0.01 . . . . . . A 96 THR CA . 30627 1 22 . 1 1 3 3 THR CB C 13 69.682 0.08 . . . . . . A 96 THR CB . 30627 1 23 . 1 1 3 3 THR CG2 C 13 21.801 0.05 . . . . . . A 96 THR CG2 . 30627 1 24 . 1 1 3 3 THR N N 15 118.718 0.05 . . . . . . A 96 THR N . 30627 1 25 . 1 1 4 4 ILE H H 1 8.120 0.00 . . . . . . A 97 ILE H . 30627 1 26 . 1 1 4 4 ILE HA H 1 4.399 0.01 . . . . . . A 97 ILE HA . 30627 1 27 . 1 1 4 4 ILE HB H 1 1.825 0.01 . . . . . . A 97 ILE HB . 30627 1 28 . 1 1 4 4 ILE HG12 H 1 1.105 0.00 . . . . . . A 97 ILE HG12 . 30627 1 29 . 1 1 4 4 ILE HG13 H 1 1.526 0.00 . . . . . . A 97 ILE HG13 . 30627 1 30 . 1 1 4 4 ILE HG21 H 1 0.903 0.00 . . . . . . A 97 ILE HG21 . 30627 1 31 . 1 1 4 4 ILE HG22 H 1 0.903 0.00 . . . . . . A 97 ILE HG22 . 30627 1 32 . 1 1 4 4 ILE HG23 H 1 0.903 0.00 . . . . . . A 97 ILE HG23 . 30627 1 33 . 1 1 4 4 ILE HD11 H 1 0.838 0.00 . . . . . . A 97 ILE HD11 . 30627 1 34 . 1 1 4 4 ILE HD12 H 1 0.838 0.00 . . . . . . A 97 ILE HD12 . 30627 1 35 . 1 1 4 4 ILE HD13 H 1 0.838 0.00 . . . . . . A 97 ILE HD13 . 30627 1 36 . 1 1 4 4 ILE C C 13 174.159 0.00 . . . . . . A 97 ILE C . 30627 1 37 . 1 1 4 4 ILE CA C 13 60.564 0.07 . . . . . . A 97 ILE CA . 30627 1 38 . 1 1 4 4 ILE CB C 13 40.240 0.05 . . . . . . A 97 ILE CB . 30627 1 39 . 1 1 4 4 ILE CG1 C 13 27.158 0.06 . . . . . . A 97 ILE CG1 . 30627 1 40 . 1 1 4 4 ILE CG2 C 13 17.399 0.04 . . . . . . A 97 ILE CG2 . 30627 1 41 . 1 1 4 4 ILE CD1 C 13 13.506 0.04 . . . . . . A 97 ILE CD1 . 30627 1 42 . 1 1 4 4 ILE N N 15 123.514 0.03 . . . . . . A 97 ILE N . 30627 1 43 . 1 1 5 5 ALA H H 1 8.408 0.00 . . . . . . A 98 ALA H . 30627 1 44 . 1 1 5 5 ALA HA H 1 4.820 0.01 . . . . . . A 98 ALA HA . 30627 1 45 . 1 1 5 5 ALA HB1 H 1 1.347 0.01 . . . . . . A 98 ALA HB1 . 30627 1 46 . 1 1 5 5 ALA HB2 H 1 1.347 0.01 . . . . . . A 98 ALA HB2 . 30627 1 47 . 1 1 5 5 ALA HB3 H 1 1.347 0.01 . . . . . . A 98 ALA HB3 . 30627 1 48 . 1 1 5 5 ALA C C 13 177.291 0.00 . . . . . . A 98 ALA C . 30627 1 49 . 1 1 5 5 ALA CA C 13 51.511 0.04 . . . . . . A 98 ALA CA . 30627 1 50 . 1 1 5 5 ALA CB C 13 19.301 0.07 . . . . . . A 98 ALA CB . 30627 1 51 . 1 1 5 5 ALA N N 15 128.457 0.06 . . . . . . A 98 ALA N . 30627 1 52 . 1 1 6 6 LEU H H 1 8.456 0.01 . . . . . . A 99 LEU H . 30627 1 53 . 1 1 6 6 LEU HA H 1 4.597 0.01 . . . . . . A 99 LEU HA . 30627 1 54 . 1 1 6 6 LEU HB2 H 1 1.650 0.01 . . . . . . A 99 LEU HB2 . 30627 1 55 . 1 1 6 6 LEU HB3 H 1 1.589 0.01 . . . . . . A 99 LEU HB3 . 30627 1 56 . 1 1 6 6 LEU HD11 H 1 0.776 0.00 . . . . . . A 99 LEU HD11 . 30627 1 57 . 1 1 6 6 LEU HD12 H 1 0.776 0.00 . . . . . . A 99 LEU HD12 . 30627 1 58 . 1 1 6 6 LEU HD13 H 1 0.776 0.00 . . . . . . A 99 LEU HD13 . 30627 1 59 . 1 1 6 6 LEU HD21 H 1 0.969 0.00 . . . . . . A 99 LEU HD21 . 30627 1 60 . 1 1 6 6 LEU HD22 H 1 0.969 0.00 . . . . . . A 99 LEU HD22 . 30627 1 61 . 1 1 6 6 LEU HD23 H 1 0.969 0.00 . . . . . . A 99 LEU HD23 . 30627 1 62 . 1 1 6 6 LEU C C 13 176.111 0.00 . . . . . . A 99 LEU C . 30627 1 63 . 1 1 6 6 LEU CA C 13 53.893 0.08 . . . . . . A 99 LEU CA . 30627 1 64 . 1 1 6 6 LEU CB C 13 43.010 0.07 . . . . . . A 99 LEU CB . 30627 1 65 . 1 1 6 6 LEU CD1 C 13 26.444 0.13 . . . . . . A 99 LEU CD1 . 30627 1 66 . 1 1 6 6 LEU CD2 C 13 22.643 0.04 . . . . . . A 99 LEU CD2 . 30627 1 67 . 1 1 6 6 LEU N N 15 121.823 0.03 . . . . . . A 99 LEU N . 30627 1 68 . 1 1 7 7 ALA H H 1 8.663 0.00 . . . . . . A 100 ALA H . 30627 1 69 . 1 1 7 7 ALA HA H 1 4.557 0.01 . . . . . . A 100 ALA HA . 30627 1 70 . 1 1 7 7 ALA HB1 H 1 1.389 0.01 . . . . . . A 100 ALA HB1 . 30627 1 71 . 1 1 7 7 ALA HB2 H 1 1.389 0.01 . . . . . . A 100 ALA HB2 . 30627 1 72 . 1 1 7 7 ALA HB3 H 1 1.389 0.01 . . . . . . A 100 ALA HB3 . 30627 1 73 . 1 1 7 7 ALA C C 13 177.008 0.00 . . . . . . A 100 ALA C . 30627 1 74 . 1 1 7 7 ALA CA C 13 51.356 0.04 . . . . . . A 100 ALA CA . 30627 1 75 . 1 1 7 7 ALA CB C 13 19.654 0.07 . . . . . . A 100 ALA CB . 30627 1 76 . 1 1 7 7 ALA N N 15 125.288 0.03 . . . . . . A 100 ALA N . 30627 1 77 . 1 1 8 8 LEU H H 1 8.388 0.00 . . . . . . A 101 LEU H . 30627 1 78 . 1 1 8 8 LEU HA H 1 4.572 0.01 . . . . . . A 101 LEU HA . 30627 1 79 . 1 1 8 8 LEU HB2 H 1 1.553 0.00 . . . . . . A 101 LEU HB2 . 30627 1 80 . 1 1 8 8 LEU HB3 H 1 1.671 0.05 . . . . . . A 101 LEU HB3 . 30627 1 81 . 1 1 8 8 LEU HG H 1 1.779 0.01 . . . . . . A 101 LEU HG . 30627 1 82 . 1 1 8 8 LEU HD11 H 1 0.957 0.01 . . . . . . A 101 LEU HD11 . 30627 1 83 . 1 1 8 8 LEU HD12 H 1 0.957 0.01 . . . . . . A 101 LEU HD12 . 30627 1 84 . 1 1 8 8 LEU HD13 H 1 0.957 0.01 . . . . . . A 101 LEU HD13 . 30627 1 85 . 1 1 8 8 LEU HD21 H 1 0.868 0.00 . . . . . . A 101 LEU HD21 . 30627 1 86 . 1 1 8 8 LEU HD22 H 1 0.868 0.00 . . . . . . A 101 LEU HD22 . 30627 1 87 . 1 1 8 8 LEU HD23 H 1 0.868 0.00 . . . . . . A 101 LEU HD23 . 30627 1 88 . 1 1 8 8 LEU C C 13 177.680 0.00 . . . . . . A 101 LEU C . 30627 1 89 . 1 1 8 8 LEU CA C 13 54.671 0.06 . . . . . . A 101 LEU CA . 30627 1 90 . 1 1 8 8 LEU CB C 13 42.571 0.11 . . . . . . A 101 LEU CB . 30627 1 91 . 1 1 8 8 LEU CG C 13 27.226 0.04 . . . . . . A 101 LEU CG . 30627 1 92 . 1 1 8 8 LEU CD1 C 13 25.862 0.05 . . . . . . A 101 LEU CD1 . 30627 1 93 . 1 1 8 8 LEU CD2 C 13 23.723 0.07 . . . . . . A 101 LEU CD2 . 30627 1 94 . 1 1 8 8 LEU N N 15 121.501 0.03 . . . . . . A 101 LEU N . 30627 1 95 . 1 1 9 9 LEU H H 1 8.546 0.00 . . . . . . A 102 LEU H . 30627 1 96 . 1 1 9 9 LEU HA H 1 4.707 0.01 . . . . . . A 102 LEU HA . 30627 1 97 . 1 1 9 9 LEU HB2 H 1 1.539 0.00 . . . . . . A 102 LEU HB2 . 30627 1 98 . 1 1 9 9 LEU HB3 H 1 1.452 0.01 . . . . . . A 102 LEU HB3 . 30627 1 99 . 1 1 9 9 LEU HG H 1 1.639 0.00 . . . . . . A 102 LEU HG . 30627 1 100 . 1 1 9 9 LEU HD11 H 1 0.921 0.00 . . . . . . A 102 LEU HD11 . 30627 1 101 . 1 1 9 9 LEU HD12 H 1 0.921 0.00 . . . . . . A 102 LEU HD12 . 30627 1 102 . 1 1 9 9 LEU HD13 H 1 0.921 0.00 . . . . . . A 102 LEU HD13 . 30627 1 103 . 1 1 9 9 LEU HD21 H 1 0.843 0.01 . . . . . . A 102 LEU HD21 . 30627 1 104 . 1 1 9 9 LEU HD22 H 1 0.843 0.01 . . . . . . A 102 LEU HD22 . 30627 1 105 . 1 1 9 9 LEU HD23 H 1 0.843 0.01 . . . . . . A 102 LEU HD23 . 30627 1 106 . 1 1 9 9 LEU CA C 13 52.587 0.07 . . . . . . A 102 LEU CA . 30627 1 107 . 1 1 9 9 LEU CB C 13 42.257 0.05 . . . . . . A 102 LEU CB . 30627 1 108 . 1 1 9 9 LEU CG C 13 27.293 0.03 . . . . . . A 102 LEU CG . 30627 1 109 . 1 1 9 9 LEU CD1 C 13 23.199 0.11 . . . . . . A 102 LEU CD1 . 30627 1 110 . 1 1 9 9 LEU CD2 C 13 25.371 0.10 . . . . . . A 102 LEU CD2 . 30627 1 111 . 1 1 9 9 LEU N N 15 124.257 0.07 . . . . . . A 102 LEU N . 30627 1 112 . 1 1 10 10 PRO HA H 1 4.468 0.01 . . . . . . A 103 PRO HA . 30627 1 113 . 1 1 10 10 PRO HB2 H 1 2.291 0.01 . . . . . . A 103 PRO HB2 . 30627 1 114 . 1 1 10 10 PRO HB3 H 1 1.889 0.01 . . . . . . A 103 PRO HB3 . 30627 1 115 . 1 1 10 10 PRO HG2 H 1 2.049 0.01 . . . . . . A 103 PRO HG2 . 30627 1 116 . 1 1 10 10 PRO HG3 H 1 1.973 0.01 . . . . . . A 103 PRO HG3 . 30627 1 117 . 1 1 10 10 PRO HD2 H 1 3.624 0.00 . . . . . . A 103 PRO HD2 . 30627 1 118 . 1 1 10 10 PRO HD3 H 1 3.833 0.00 . . . . . . A 103 PRO HD3 . 30627 1 119 . 1 1 10 10 PRO C C 13 177.043 0.00 . . . . . . A 103 PRO C . 30627 1 120 . 1 1 10 10 PRO CA C 13 62.964 0.06 . . . . . . A 103 PRO CA . 30627 1 121 . 1 1 10 10 PRO CB C 13 32.131 0.05 . . . . . . A 103 PRO CB . 30627 1 122 . 1 1 10 10 PRO CG C 13 27.452 0.14 . . . . . . A 103 PRO CG . 30627 1 123 . 1 1 10 10 PRO CD C 13 50.561 0.06 . . . . . . A 103 PRO CD . 30627 1 124 . 1 1 11 11 LEU H H 1 8.508 0.00 . . . . . . A 104 LEU H . 30627 1 125 . 1 1 11 11 LEU HA H 1 4.295 0.01 . . . . . . A 104 LEU HA . 30627 1 126 . 1 1 11 11 LEU HB2 H 1 1.606 0.00 . . . . . . A 104 LEU HB2 . 30627 1 127 . 1 1 11 11 LEU HB3 H 1 1.645 0.01 . . . . . . A 104 LEU HB3 . 30627 1 128 . 1 1 11 11 LEU HG H 1 1.705 0.00 . . . . . . A 104 LEU HG . 30627 1 129 . 1 1 11 11 LEU HD11 H 1 0.902 0.00 . . . . . . A 104 LEU HD11 . 30627 1 130 . 1 1 11 11 LEU HD12 H 1 0.902 0.00 . . . . . . A 104 LEU HD12 . 30627 1 131 . 1 1 11 11 LEU HD13 H 1 0.902 0.00 . . . . . . A 104 LEU HD13 . 30627 1 132 . 1 1 11 11 LEU HD21 H 1 0.927 0.00 . . . . . . A 104 LEU HD21 . 30627 1 133 . 1 1 11 11 LEU HD22 H 1 0.927 0.00 . . . . . . A 104 LEU HD22 . 30627 1 134 . 1 1 11 11 LEU HD23 H 1 0.927 0.00 . . . . . . A 104 LEU HD23 . 30627 1 135 . 1 1 11 11 LEU C C 13 178.185 0.00 . . . . . . A 104 LEU C . 30627 1 136 . 1 1 11 11 LEU CA C 13 55.704 0.03 . . . . . . A 104 LEU CA . 30627 1 137 . 1 1 11 11 LEU CB C 13 42.766 0.05 . . . . . . A 104 LEU CB . 30627 1 138 . 1 1 11 11 LEU CG C 13 27.132 0.03 . . . . . . A 104 LEU CG . 30627 1 139 . 1 1 11 11 LEU CD1 C 13 24.058 0.21 . . . . . . A 104 LEU CD1 . 30627 1 140 . 1 1 11 11 LEU CD2 C 13 24.969 0.02 . . . . . . A 104 LEU CD2 . 30627 1 141 . 1 1 11 11 LEU N N 15 123.158 0.04 . . . . . . A 104 LEU N . 30627 1 142 . 1 1 12 12 GLY H H 1 8.481 0.00 . . . . . . A 105 GLY H . 30627 1 143 . 1 1 12 12 GLY HA2 H 1 4.011 0.01 . . . . . . A 105 GLY HA2 . 30627 1 144 . 1 1 12 12 GLY HA3 H 1 3.985 0.00 . . . . . . A 105 GLY HA3 . 30627 1 145 . 1 1 12 12 GLY C C 13 174.362 0.00 . . . . . . A 105 GLY C . 30627 1 146 . 1 1 12 12 GLY CA C 13 45.391 0.31 . . . . . . A 105 GLY CA . 30627 1 147 . 1 1 12 12 GLY N N 15 109.349 0.03 . . . . . . A 105 GLY N . 30627 1 148 . 1 1 13 13 SER H H 1 8.406 0.02 . . . . . . A 106 SER H . 30627 1 149 . 1 1 13 13 SER HA H 1 4.495 0.00 . . . . . . A 106 SER HA . 30627 1 150 . 1 1 13 13 SER HB2 H 1 3.878 0.00 . . . . . . A 106 SER HB2 . 30627 1 151 . 1 1 13 13 SER C C 13 175.460 0.00 . . . . . . A 106 SER C . 30627 1 152 . 1 1 13 13 SER CA C 13 58.522 0.02 . . . . . . A 106 SER CA . 30627 1 153 . 1 1 13 13 SER CB C 13 63.966 0.08 . . . . . . A 106 SER CB . 30627 1 154 . 1 1 13 13 SER N N 15 115.753 0.02 . . . . . . A 106 SER N . 30627 1 155 . 1 1 14 14 GLY H H 1 8.664 0.00 . . . . . . A 107 GLY H . 30627 1 156 . 1 1 14 14 GLY HA2 H 1 3.413 0.00 . . . . . . A 107 GLY HA2 . 30627 1 157 . 1 1 14 14 GLY HA3 H 1 3.796 0.00 . . . . . . A 107 GLY HA3 . 30627 1 158 . 1 1 14 14 GLY CA C 13 44.692 0.00 . . . . . . A 107 GLY CA . 30627 1 159 . 1 1 14 14 GLY N N 15 111.366 0.07 . . . . . . A 107 GLY N . 30627 1 160 . 1 1 15 15 GLY H H 1 8.610 0.00 . . . . . . A 108 GLY H . 30627 1 161 . 1 1 15 15 GLY C C 13 175.842 0.00 . . . . . . A 108 GLY C . 30627 1 162 . 1 1 15 15 GLY N N 15 106.880 0.01 . . . . . . A 108 GLY N . 30627 1 163 . 1 1 16 16 SER C C 13 175.235 0.00 . . . . . . A 109 SER C . 30627 1 164 . 1 1 17 17 GLY H H 1 8.577 0.00 . . . . . . A 110 GLY H . 30627 1 165 . 1 1 17 17 GLY C C 13 172.189 0.00 . . . . . . A 110 GLY C . 30627 1 166 . 1 1 17 17 GLY CA C 13 44.826 0.00 . . . . . . A 110 GLY CA . 30627 1 167 . 1 1 17 17 GLY N N 15 110.949 0.02 . . . . . . A 110 GLY N . 30627 1 168 . 1 1 18 18 GLY H H 1 8.605 0.00 . . . . . . A 111 GLY H . 30627 1 169 . 1 1 18 18 GLY HA3 H 1 3.998 0.01 . . . . . . A 111 GLY HA3 . 30627 1 170 . 1 1 18 18 GLY CA C 13 47.042 0.05 . . . . . . A 111 GLY CA . 30627 1 171 . 1 1 18 18 GLY N N 15 106.936 0.03 . . . . . . A 111 GLY N . 30627 1 172 . 1 1 19 19 SER H H 1 8.305 0.00 . . . . . . A 112 SER H . 30627 1 173 . 1 1 19 19 SER HB3 H 1 3.920 0.00 . . . . . . A 112 SER HB3 . 30627 1 174 . 1 1 19 19 SER C C 13 174.719 0.00 . . . . . . A 112 SER C . 30627 1 175 . 1 1 19 19 SER CA C 13 58.564 0.00 . . . . . . A 112 SER CA . 30627 1 176 . 1 1 19 19 SER CB C 13 63.953 0.02 . . . . . . A 112 SER CB . 30627 1 177 . 1 1 19 19 SER N N 15 108.711 0.00 . . . . . . A 112 SER N . 30627 1 178 . 1 1 20 20 GLY H H 1 8.246 0.01 . . . . . . A 113 GLY H . 30627 1 179 . 1 1 20 20 GLY N N 15 108.792 0.02 . . . . . . A 113 GLY N . 30627 1 180 . 1 1 21 21 GLY H H 1 8.302 0.00 . . . . . . A 114 GLY H . 30627 1 181 . 1 1 21 21 GLY HA2 H 1 4.239 0.00 . . . . . . A 114 GLY HA2 . 30627 1 182 . 1 1 21 21 GLY HA3 H 1 4.038 0.01 . . . . . . A 114 GLY HA3 . 30627 1 183 . 1 1 21 21 GLY C C 13 174.705 0.00 . . . . . . A 114 GLY C . 30627 1 184 . 1 1 21 21 GLY CA C 13 45.186 0.10 . . . . . . A 114 GLY CA . 30627 1 185 . 1 1 21 21 GLY N N 15 108.719 0.00 . . . . . . A 114 GLY N . 30627 1 186 . 1 1 22 22 SER H H 1 8.216 0.00 . . . . . . A 115 SER H . 30627 1 187 . 1 1 22 22 SER HA H 1 4.384 0.01 . . . . . . A 115 SER HA . 30627 1 188 . 1 1 22 22 SER HB2 H 1 3.917 0.01 . . . . . . A 115 SER HB2 . 30627 1 189 . 1 1 22 22 SER C C 13 175.381 0.00 . . . . . . A 115 SER C . 30627 1 190 . 1 1 22 22 SER CA C 13 58.651 0.07 . . . . . . A 115 SER CA . 30627 1 191 . 1 1 22 22 SER CB C 13 64.201 0.05 . . . . . . A 115 SER CB . 30627 1 192 . 1 1 22 22 SER N N 15 117.008 0.02 . . . . . . A 115 SER N . 30627 1 193 . 1 1 23 23 GLY H H 1 8.705 0.00 . . . . . . A 116 GLY H . 30627 1 194 . 1 1 23 23 GLY HA2 H 1 3.946 0.01 . . . . . . A 116 GLY HA2 . 30627 1 195 . 1 1 23 23 GLY HA3 H 1 3.624 0.01 . . . . . . A 116 GLY HA3 . 30627 1 196 . 1 1 23 23 GLY C C 13 173.603 0.00 . . . . . . A 116 GLY C . 30627 1 197 . 1 1 23 23 GLY CA C 13 45.139 0.07 . . . . . . A 116 GLY CA . 30627 1 198 . 1 1 23 23 GLY N N 15 109.712 0.03 . . . . . . A 116 GLY N . 30627 1 199 . 1 1 24 24 ARG H H 1 8.276 0.00 . . . . . . A 117 ARG H . 30627 1 200 . 1 1 24 24 ARG HA H 1 4.368 0.01 . . . . . . A 117 ARG HA . 30627 1 201 . 1 1 24 24 ARG HB2 H 1 1.639 0.01 . . . . . . A 117 ARG HB2 . 30627 1 202 . 1 1 24 24 ARG HB3 H 1 1.816 0.01 . . . . . . A 117 ARG HB3 . 30627 1 203 . 1 1 24 24 ARG HD2 H 1 3.151 0.00 . . . . . . A 117 ARG HD2 . 30627 1 204 . 1 1 24 24 ARG HD3 H 1 3.154 0.00 . . . . . . A 117 ARG HD3 . 30627 1 205 . 1 1 24 24 ARG C C 13 176.096 0.00 . . . . . . A 117 ARG C . 30627 1 206 . 1 1 24 24 ARG CA C 13 55.521 0.05 . . . . . . A 117 ARG CA . 30627 1 207 . 1 1 24 24 ARG CB C 13 31.229 0.07 . . . . . . A 117 ARG CB . 30627 1 208 . 1 1 24 24 ARG CG C 13 27.319 0.04 . . . . . . A 117 ARG CG . 30627 1 209 . 1 1 24 24 ARG CD C 13 43.515 0.06 . . . . . . A 117 ARG CD . 30627 1 210 . 1 1 24 24 ARG N N 15 119.753 0.03 . . . . . . A 117 ARG N . 30627 1 211 . 1 1 25 25 ASP H H 1 8.429 0.00 . . . . . . A 118 ASP H . 30627 1 212 . 1 1 25 25 ASP HA H 1 5.280 0.01 . . . . . . A 118 ASP HA . 30627 1 213 . 1 1 25 25 ASP HB2 H 1 2.523 0.01 . . . . . . A 118 ASP HB2 . 30627 1 214 . 1 1 25 25 ASP HB3 H 1 2.484 0.01 . . . . . . A 118 ASP HB3 . 30627 1 215 . 1 1 25 25 ASP C C 13 175.811 0.00 . . . . . . A 118 ASP C . 30627 1 216 . 1 1 25 25 ASP CA C 13 54.825 0.10 . . . . . . A 118 ASP CA . 30627 1 217 . 1 1 25 25 ASP CB C 13 40.773 0.05 . . . . . . A 118 ASP CB . 30627 1 218 . 1 1 25 25 ASP N N 15 123.557 0.03 . . . . . . A 118 ASP N . 30627 1 219 . 1 1 26 26 LEU H H 1 8.542 0.01 . . . . . . A 119 LEU H . 30627 1 220 . 1 1 26 26 LEU HA H 1 4.735 0.01 . . . . . . A 119 LEU HA . 30627 1 221 . 1 1 26 26 LEU HB2 H 1 1.416 0.00 . . . . . . A 119 LEU HB2 . 30627 1 222 . 1 1 26 26 LEU HB3 H 1 1.478 0.01 . . . . . . A 119 LEU HB3 . 30627 1 223 . 1 1 26 26 LEU HG H 1 1.707 0.00 . . . . . . A 119 LEU HG . 30627 1 224 . 1 1 26 26 LEU HD11 H 1 0.845 0.00 . . . . . . A 119 LEU HD11 . 30627 1 225 . 1 1 26 26 LEU HD12 H 1 0.845 0.00 . . . . . . A 119 LEU HD12 . 30627 1 226 . 1 1 26 26 LEU HD13 H 1 0.845 0.00 . . . . . . A 119 LEU HD13 . 30627 1 227 . 1 1 26 26 LEU HD21 H 1 0.857 0.00 . . . . . . A 119 LEU HD21 . 30627 1 228 . 1 1 26 26 LEU HD22 H 1 0.857 0.00 . . . . . . A 119 LEU HD22 . 30627 1 229 . 1 1 26 26 LEU HD23 H 1 0.857 0.00 . . . . . . A 119 LEU HD23 . 30627 1 230 . 1 1 26 26 LEU C C 13 174.565 0.00 . . . . . . A 119 LEU C . 30627 1 231 . 1 1 26 26 LEU CA C 13 53.301 0.03 . . . . . . A 119 LEU CA . 30627 1 232 . 1 1 26 26 LEU CB C 13 45.762 0.03 . . . . . . A 119 LEU CB . 30627 1 233 . 1 1 26 26 LEU CG C 13 27.198 0.08 . . . . . . A 119 LEU CG . 30627 1 234 . 1 1 26 26 LEU CD1 C 13 25.189 0.10 . . . . . . A 119 LEU CD1 . 30627 1 235 . 1 1 26 26 LEU CD2 C 13 23.330 0.03 . . . . . . A 119 LEU CD2 . 30627 1 236 . 1 1 26 26 LEU N N 15 121.315 0.04 . . . . . . A 119 LEU N . 30627 1 237 . 1 1 27 27 ARG H H 1 8.693 0.00 . . . . . . A 120 ARG H . 30627 1 238 . 1 1 27 27 ARG HA H 1 5.652 0.01 . . . . . . A 120 ARG HA . 30627 1 239 . 1 1 27 27 ARG HB2 H 1 1.695 0.01 . . . . . . A 120 ARG HB2 . 30627 1 240 . 1 1 27 27 ARG HB3 H 1 1.617 0.01 . . . . . . A 120 ARG HB3 . 30627 1 241 . 1 1 27 27 ARG HG2 H 1 1.598 0.01 . . . . . . A 120 ARG HG2 . 30627 1 242 . 1 1 27 27 ARG HG3 H 1 1.483 0.00 . . . . . . A 120 ARG HG3 . 30627 1 243 . 1 1 27 27 ARG C C 13 174.558 0.00 . . . . . . A 120 ARG C . 30627 1 244 . 1 1 27 27 ARG CA C 13 54.323 0.04 . . . . . . A 120 ARG CA . 30627 1 245 . 1 1 27 27 ARG CB C 13 34.106 0.00 . . . . . . A 120 ARG CB . 30627 1 246 . 1 1 27 27 ARG CG C 13 28.253 0.04 . . . . . . A 120 ARG CG . 30627 1 247 . 1 1 27 27 ARG CD C 13 43.594 0.05 . . . . . . A 120 ARG CD . 30627 1 248 . 1 1 27 27 ARG N N 15 122.473 0.04 . . . . . . A 120 ARG N . 30627 1 249 . 1 1 28 28 ALA H H 1 8.885 0.00 . . . . . . A 121 ALA H . 30627 1 250 . 1 1 28 28 ALA HA H 1 4.892 0.01 . . . . . . A 121 ALA HA . 30627 1 251 . 1 1 28 28 ALA HB1 H 1 1.220 0.00 . . . . . . A 121 ALA HB1 . 30627 1 252 . 1 1 28 28 ALA HB2 H 1 1.220 0.00 . . . . . . A 121 ALA HB2 . 30627 1 253 . 1 1 28 28 ALA HB3 H 1 1.220 0.00 . . . . . . A 121 ALA HB3 . 30627 1 254 . 1 1 28 28 ALA C C 13 175.028 0.00 . . . . . . A 121 ALA C . 30627 1 255 . 1 1 28 28 ALA CA C 13 50.980 0.04 . . . . . . A 121 ALA CA . 30627 1 256 . 1 1 28 28 ALA CB C 13 23.725 0.04 . . . . . . A 121 ALA CB . 30627 1 257 . 1 1 28 28 ALA N N 15 124.821 0.03 . . . . . . A 121 ALA N . 30627 1 258 . 1 1 29 29 GLU H H 1 8.664 0.00 . . . . . . A 122 GLU H . 30627 1 259 . 1 1 29 29 GLU HA H 1 4.703 0.00 . . . . . . A 122 GLU HA . 30627 1 260 . 1 1 29 29 GLU HB2 H 1 1.981 0.01 . . . . . . A 122 GLU HB2 . 30627 1 261 . 1 1 29 29 GLU HB3 H 1 1.946 0.02 . . . . . . A 122 GLU HB3 . 30627 1 262 . 1 1 29 29 GLU HG2 H 1 2.318 0.00 . . . . . . A 122 GLU HG2 . 30627 1 263 . 1 1 29 29 GLU HG3 H 1 1.995 0.00 . . . . . . A 122 GLU HG3 . 30627 1 264 . 1 1 29 29 GLU CA C 13 56.205 0.35 . . . . . . A 122 GLU CA . 30627 1 265 . 1 1 29 29 GLU CB C 13 31.770 0.08 . . . . . . A 122 GLU CB . 30627 1 266 . 1 1 29 29 GLU CG C 13 38.081 0.02 . . . . . . A 122 GLU CG . 30627 1 267 . 1 1 29 29 GLU N N 15 120.313 0.02 . . . . . . A 122 GLU N . 30627 1 268 . 1 1 30 30 LEU H H 1 8.949 0.00 . . . . . . A 123 LEU H . 30627 1 269 . 1 1 30 30 LEU HA H 1 4.972 0.00 . . . . . . A 123 LEU HA . 30627 1 270 . 1 1 30 30 LEU HB2 H 1 1.734 0.00 . . . . . . A 123 LEU HB2 . 30627 1 271 . 1 1 30 30 LEU HB3 H 1 0.982 0.00 . . . . . . A 123 LEU HB3 . 30627 1 272 . 1 1 30 30 LEU HG H 1 1.408 0.01 . . . . . . A 123 LEU HG . 30627 1 273 . 1 1 30 30 LEU HD11 H 1 0.716 0.00 . . . . . . A 123 LEU HD11 . 30627 1 274 . 1 1 30 30 LEU HD12 H 1 0.716 0.00 . . . . . . A 123 LEU HD12 . 30627 1 275 . 1 1 30 30 LEU HD13 H 1 0.716 0.00 . . . . . . A 123 LEU HD13 . 30627 1 276 . 1 1 30 30 LEU HD21 H 1 0.780 0.00 . . . . . . A 123 LEU HD21 . 30627 1 277 . 1 1 30 30 LEU HD22 H 1 0.780 0.00 . . . . . . A 123 LEU HD22 . 30627 1 278 . 1 1 30 30 LEU HD23 H 1 0.780 0.00 . . . . . . A 123 LEU HD23 . 30627 1 279 . 1 1 30 30 LEU CA C 13 50.813 0.04 . . . . . . A 123 LEU CA . 30627 1 280 . 1 1 30 30 LEU CB C 13 45.198 0.02 . . . . . . A 123 LEU CB . 30627 1 281 . 1 1 30 30 LEU CG C 13 27.121 0.09 . . . . . . A 123 LEU CG . 30627 1 282 . 1 1 30 30 LEU CD1 C 13 26.821 0.06 . . . . . . A 123 LEU CD1 . 30627 1 283 . 1 1 30 30 LEU CD2 C 13 23.966 0.03 . . . . . . A 123 LEU CD2 . 30627 1 284 . 1 1 30 30 LEU N N 15 126.670 0.03 . . . . . . A 123 LEU N . 30627 1 285 . 1 1 31 31 PRO HA H 1 5.449 0.01 . . . . . . A 124 PRO HA . 30627 1 286 . 1 1 31 31 PRO HB2 H 1 2.097 0.01 . . . . . . A 124 PRO HB2 . 30627 1 287 . 1 1 31 31 PRO HB3 H 1 1.924 0.01 . . . . . . A 124 PRO HB3 . 30627 1 288 . 1 1 31 31 PRO HG2 H 1 2.278 0.00 . . . . . . A 124 PRO HG2 . 30627 1 289 . 1 1 31 31 PRO HD2 H 1 3.945 0.00 . . . . . . A 124 PRO HD2 . 30627 1 290 . 1 1 31 31 PRO HD3 H 1 3.657 0.00 . . . . . . A 124 PRO HD3 . 30627 1 291 . 1 1 31 31 PRO C C 13 176.470 0.00 . . . . . . A 124 PRO C . 30627 1 292 . 1 1 31 31 PRO CA C 13 61.164 0.04 . . . . . . A 124 PRO CA . 30627 1 293 . 1 1 31 31 PRO CB C 13 31.668 0.05 . . . . . . A 124 PRO CB . 30627 1 294 . 1 1 31 31 PRO CG C 13 27.705 0.04 . . . . . . A 124 PRO CG . 30627 1 295 . 1 1 31 31 PRO CD C 13 51.139 0.04 . . . . . . A 124 PRO CD . 30627 1 296 . 1 1 32 32 LEU H H 1 8.785 0.00 . . . . . . A 125 LEU H . 30627 1 297 . 1 1 32 32 LEU HA H 1 4.931 0.01 . . . . . . A 125 LEU HA . 30627 1 298 . 1 1 32 32 LEU HB2 H 1 1.547 0.02 . . . . . . A 125 LEU HB2 . 30627 1 299 . 1 1 32 32 LEU HB3 H 1 1.434 0.01 . . . . . . A 125 LEU HB3 . 30627 1 300 . 1 1 32 32 LEU HG H 1 1.643 0.00 . . . . . . A 125 LEU HG . 30627 1 301 . 1 1 32 32 LEU HD11 H 1 0.742 0.00 . . . . . . A 125 LEU HD11 . 30627 1 302 . 1 1 32 32 LEU HD12 H 1 0.742 0.00 . . . . . . A 125 LEU HD12 . 30627 1 303 . 1 1 32 32 LEU HD13 H 1 0.742 0.00 . . . . . . A 125 LEU HD13 . 30627 1 304 . 1 1 32 32 LEU HD21 H 1 0.670 0.01 . . . . . . A 125 LEU HD21 . 30627 1 305 . 1 1 32 32 LEU HD22 H 1 0.670 0.01 . . . . . . A 125 LEU HD22 . 30627 1 306 . 1 1 32 32 LEU HD23 H 1 0.670 0.01 . . . . . . A 125 LEU HD23 . 30627 1 307 . 1 1 32 32 LEU C C 13 176.688 0.00 . . . . . . A 125 LEU C . 30627 1 308 . 1 1 32 32 LEU CA C 13 53.024 0.04 . . . . . . A 125 LEU CA . 30627 1 309 . 1 1 32 32 LEU CB C 13 46.774 0.06 . . . . . . A 125 LEU CB . 30627 1 310 . 1 1 32 32 LEU CG C 13 26.280 0.03 . . . . . . A 125 LEU CG . 30627 1 311 . 1 1 32 32 LEU CD1 C 13 23.242 0.03 . . . . . . A 125 LEU CD1 . 30627 1 312 . 1 1 32 32 LEU CD2 C 13 27.925 0.05 . . . . . . A 125 LEU CD2 . 30627 1 313 . 1 1 32 32 LEU N N 15 124.066 0.03 . . . . . . A 125 LEU N . 30627 1 314 . 1 1 33 33 THR H H 1 9.005 0.00 . . . . . . A 126 THR H . 30627 1 315 . 1 1 33 33 THR HA H 1 4.667 0.02 . . . . . . A 126 THR HA . 30627 1 316 . 1 1 33 33 THR HB H 1 4.815 0.01 . . . . . . A 126 THR HB . 30627 1 317 . 1 1 33 33 THR HG21 H 1 1.320 0.01 . . . . . . A 126 THR HG21 . 30627 1 318 . 1 1 33 33 THR HG22 H 1 1.320 0.01 . . . . . . A 126 THR HG22 . 30627 1 319 . 1 1 33 33 THR HG23 H 1 1.320 0.01 . . . . . . A 126 THR HG23 . 30627 1 320 . 1 1 33 33 THR C C 13 175.492 0.00 . . . . . . A 126 THR C . 30627 1 321 . 1 1 33 33 THR CA C 13 60.933 0.11 . . . . . . A 126 THR CA . 30627 1 322 . 1 1 33 33 THR CB C 13 71.082 0.06 . . . . . . A 126 THR CB . 30627 1 323 . 1 1 33 33 THR CG2 C 13 22.306 0.06 . . . . . . A 126 THR CG2 . 30627 1 324 . 1 1 33 33 THR N N 15 111.897 0.04 . . . . . . A 126 THR N . 30627 1 325 . 1 1 34 34 LEU H H 1 8.926 0.00 . . . . . . A 127 LEU H . 30627 1 326 . 1 1 34 34 LEU HA H 1 3.948 0.01 . . . . . . A 127 LEU HA . 30627 1 327 . 1 1 34 34 LEU HB2 H 1 1.467 0.01 . . . . . . A 127 LEU HB2 . 30627 1 328 . 1 1 34 34 LEU HB3 H 1 1.691 0.01 . . . . . . A 127 LEU HB3 . 30627 1 329 . 1 1 34 34 LEU HG H 1 1.704 0.00 . . . . . . A 127 LEU HG . 30627 1 330 . 1 1 34 34 LEU HD11 H 1 0.835 0.00 . . . . . . A 127 LEU HD11 . 30627 1 331 . 1 1 34 34 LEU HD12 H 1 0.835 0.00 . . . . . . A 127 LEU HD12 . 30627 1 332 . 1 1 34 34 LEU HD13 H 1 0.835 0.00 . . . . . . A 127 LEU HD13 . 30627 1 333 . 1 1 34 34 LEU HD21 H 1 0.843 0.00 . . . . . . A 127 LEU HD21 . 30627 1 334 . 1 1 34 34 LEU HD22 H 1 0.843 0.00 . . . . . . A 127 LEU HD22 . 30627 1 335 . 1 1 34 34 LEU HD23 H 1 0.843 0.00 . . . . . . A 127 LEU HD23 . 30627 1 336 . 1 1 34 34 LEU C C 13 180.396 0.00 . . . . . . A 127 LEU C . 30627 1 337 . 1 1 34 34 LEU CA C 13 58.739 0.04 . . . . . . A 127 LEU CA . 30627 1 338 . 1 1 34 34 LEU CB C 13 41.465 0.04 . . . . . . A 127 LEU CB . 30627 1 339 . 1 1 34 34 LEU CG C 13 27.159 0.05 . . . . . . A 127 LEU CG . 30627 1 340 . 1 1 34 34 LEU CD1 C 13 25.188 0.05 . . . . . . A 127 LEU CD1 . 30627 1 341 . 1 1 34 34 LEU CD2 C 13 24.032 0.06 . . . . . . A 127 LEU CD2 . 30627 1 342 . 1 1 34 34 LEU N N 15 120.436 0.01 . . . . . . A 127 LEU N . 30627 1 343 . 1 1 35 35 GLU H H 1 8.684 0.00 . . . . . . A 128 GLU H . 30627 1 344 . 1 1 35 35 GLU HA H 1 4.121 0.01 . . . . . . A 128 GLU HA . 30627 1 345 . 1 1 35 35 GLU HB2 H 1 2.049 0.00 . . . . . . A 128 GLU HB2 . 30627 1 346 . 1 1 35 35 GLU HB3 H 1 2.115 0.03 . . . . . . A 128 GLU HB3 . 30627 1 347 . 1 1 35 35 GLU HG2 H 1 2.355 0.00 . . . . . . A 128 GLU HG2 . 30627 1 348 . 1 1 35 35 GLU HG3 H 1 2.407 0.01 . . . . . . A 128 GLU HG3 . 30627 1 349 . 1 1 35 35 GLU C C 13 178.842 0.00 . . . . . . A 128 GLU C . 30627 1 350 . 1 1 35 35 GLU CA C 13 60.258 0.05 . . . . . . A 128 GLU CA . 30627 1 351 . 1 1 35 35 GLU CB C 13 29.729 0.05 . . . . . . A 128 GLU CB . 30627 1 352 . 1 1 35 35 GLU CG C 13 37.067 0.05 . . . . . . A 128 GLU CG . 30627 1 353 . 1 1 35 35 GLU N N 15 118.527 0.04 . . . . . . A 128 GLU N . 30627 1 354 . 1 1 36 36 GLU H H 1 7.793 0.01 . . . . . . A 129 GLU H . 30627 1 355 . 1 1 36 36 GLU HA H 1 4.001 0.00 . . . . . . A 129 GLU HA . 30627 1 356 . 1 1 36 36 GLU HB2 H 1 2.375 0.01 . . . . . . A 129 GLU HB2 . 30627 1 357 . 1 1 36 36 GLU HB3 H 1 1.777 0.01 . . . . . . A 129 GLU HB3 . 30627 1 358 . 1 1 36 36 GLU HG2 H 1 2.429 0.00 . . . . . . A 129 GLU HG2 . 30627 1 359 . 1 1 36 36 GLU HG3 H 1 2.184 0.01 . . . . . . A 129 GLU HG3 . 30627 1 360 . 1 1 36 36 GLU CA C 13 59.011 0.04 . . . . . . A 129 GLU CA . 30627 1 361 . 1 1 36 36 GLU CB C 13 31.217 0.04 . . . . . . A 129 GLU CB . 30627 1 362 . 1 1 36 36 GLU CG C 13 37.834 0.04 . . . . . . A 129 GLU CG . 30627 1 363 . 1 1 36 36 GLU N N 15 120.559 0.02 . . . . . . A 129 GLU N . 30627 1 364 . 1 1 37 37 ALA H H 1 8.436 0.02 . . . . . . A 130 ALA H . 30627 1 365 . 1 1 37 37 ALA HA H 1 3.829 0.01 . . . . . . A 130 ALA HA . 30627 1 366 . 1 1 37 37 ALA HB1 H 1 1.337 0.01 . . . . . . A 130 ALA HB1 . 30627 1 367 . 1 1 37 37 ALA HB2 H 1 1.337 0.01 . . . . . . A 130 ALA HB2 . 30627 1 368 . 1 1 37 37 ALA HB3 H 1 1.337 0.01 . . . . . . A 130 ALA HB3 . 30627 1 369 . 1 1 37 37 ALA C C 13 177.784 0.00 . . . . . . A 130 ALA C . 30627 1 370 . 1 1 37 37 ALA CA C 13 54.278 0.04 . . . . . . A 130 ALA CA . 30627 1 371 . 1 1 37 37 ALA CB C 13 18.604 0.03 . . . . . . A 130 ALA CB . 30627 1 372 . 1 1 37 37 ALA N N 15 120.220 0.09 . . . . . . A 130 ALA N . 30627 1 373 . 1 1 38 38 PHE H H 1 7.948 0.00 . . . . . . A 131 PHE H . 30627 1 374 . 1 1 38 38 PHE HA H 1 4.115 0.01 . . . . . . A 131 PHE HA . 30627 1 375 . 1 1 38 38 PHE HB2 H 1 3.230 0.01 . . . . . . A 131 PHE HB2 . 30627 1 376 . 1 1 38 38 PHE HB3 H 1 2.911 0.01 . . . . . . A 131 PHE HB3 . 30627 1 377 . 1 1 38 38 PHE HD1 H 1 6.658 0.01 . . . . . . A 131 PHE HD1 . 30627 1 378 . 1 1 38 38 PHE HE1 H 1 7.231 0.00 . . . . . . A 131 PHE HE1 . 30627 1 379 . 1 1 38 38 PHE HZ H 1 7.241 0.00 . . . . . . A 131 PHE HZ . 30627 1 380 . 1 1 38 38 PHE C C 13 177.859 0.00 . . . . . . A 131 PHE C . 30627 1 381 . 1 1 38 38 PHE CA C 13 61.463 0.03 . . . . . . A 131 PHE CA . 30627 1 382 . 1 1 38 38 PHE CB C 13 39.645 0.05 . . . . . . A 131 PHE CB . 30627 1 383 . 1 1 38 38 PHE CD1 C 13 131.440 0.00 . . . . . . A 131 PHE CD1 . 30627 1 384 . 1 1 38 38 PHE CE1 C 13 131.504 0.00 . . . . . . A 131 PHE CE1 . 30627 1 385 . 1 1 38 38 PHE CZ C 13 129.920 0.00 . . . . . . A 131 PHE CZ . 30627 1 386 . 1 1 38 38 PHE N N 15 115.863 0.02 . . . . . . A 131 PHE N . 30627 1 387 . 1 1 39 39 HIS H H 1 8.046 0.00 . . . . . . A 132 HIS H . 30627 1 388 . 1 1 39 39 HIS HA H 1 4.357 0.02 . . . . . . A 132 HIS HA . 30627 1 389 . 1 1 39 39 HIS HB2 H 1 3.233 0.01 . . . . . . A 132 HIS HB2 . 30627 1 390 . 1 1 39 39 HIS HD2 H 1 7.366 0.00 . . . . . . A 132 HIS HD2 . 30627 1 391 . 1 1 39 39 HIS C C 13 177.850 0.00 . . . . . . A 132 HIS C . 30627 1 392 . 1 1 39 39 HIS CA C 13 58.150 0.03 . . . . . . A 132 HIS CA . 30627 1 393 . 1 1 39 39 HIS CB C 13 31.244 0.05 . . . . . . A 132 HIS CB . 30627 1 394 . 1 1 39 39 HIS CD2 C 13 121.737 0.00 . . . . . . A 132 HIS CD2 . 30627 1 395 . 1 1 39 39 HIS N N 15 113.905 0.03 . . . . . . A 132 HIS N . 30627 1 396 . 1 1 40 40 GLY H H 1 8.204 0.00 . . . . . . A 133 GLY H . 30627 1 397 . 1 1 40 40 GLY HA2 H 1 3.834 0.02 . . . . . . A 133 GLY HA2 . 30627 1 398 . 1 1 40 40 GLY HA3 H 1 3.455 0.01 . . . . . . A 133 GLY HA3 . 30627 1 399 . 1 1 40 40 GLY C C 13 172.410 0.00 . . . . . . A 133 GLY C . 30627 1 400 . 1 1 40 40 GLY CA C 13 44.790 0.04 . . . . . . A 133 GLY CA . 30627 1 401 . 1 1 40 40 GLY N N 15 107.681 0.05 . . . . . . A 133 GLY N . 30627 1 402 . 1 1 41 41 GLY H H 1 8.687 0.01 . . . . . . A 134 GLY H . 30627 1 403 . 1 1 41 41 GLY HA2 H 1 4.574 0.01 . . . . . . A 134 GLY HA2 . 30627 1 404 . 1 1 41 41 GLY HA3 H 1 3.844 0.01 . . . . . . A 134 GLY HA3 . 30627 1 405 . 1 1 41 41 GLY C C 13 172.164 0.00 . . . . . . A 134 GLY C . 30627 1 406 . 1 1 41 41 GLY CA C 13 44.765 0.06 . . . . . . A 134 GLY CA . 30627 1 407 . 1 1 41 41 GLY N N 15 107.471 0.03 . . . . . . A 134 GLY N . 30627 1 408 . 1 1 42 42 GLU H H 1 8.525 0.01 . . . . . . A 135 GLU H . 30627 1 409 . 1 1 42 42 GLU HA H 1 5.179 0.01 . . . . . . A 135 GLU HA . 30627 1 410 . 1 1 42 42 GLU HB2 H 1 1.918 0.01 . . . . . . A 135 GLU HB2 . 30627 1 411 . 1 1 42 42 GLU HB3 H 1 1.855 0.01 . . . . . . A 135 GLU HB3 . 30627 1 412 . 1 1 42 42 GLU HG2 H 1 2.120 0.01 . . . . . . A 135 GLU HG2 . 30627 1 413 . 1 1 42 42 GLU HG3 H 1 2.063 0.00 . . . . . . A 135 GLU HG3 . 30627 1 414 . 1 1 42 42 GLU C C 13 175.945 0.00 . . . . . . A 135 GLU C . 30627 1 415 . 1 1 42 42 GLU CA C 13 55.638 0.07 . . . . . . A 135 GLU CA . 30627 1 416 . 1 1 42 42 GLU CB C 13 31.819 0.05 . . . . . . A 135 GLU CB . 30627 1 417 . 1 1 42 42 GLU CG C 13 36.628 0.04 . . . . . . A 135 GLU CG . 30627 1 418 . 1 1 42 42 GLU N N 15 121.229 0.04 . . . . . . A 135 GLU N . 30627 1 419 . 1 1 43 43 ARG H H 1 8.961 0.00 . . . . . . A 136 ARG H . 30627 1 420 . 1 1 43 43 ARG HA H 1 4.678 0.01 . . . . . . A 136 ARG HA . 30627 1 421 . 1 1 43 43 ARG HB2 H 1 1.680 0.00 . . . . . . A 136 ARG HB2 . 30627 1 422 . 1 1 43 43 ARG HB3 H 1 1.579 0.01 . . . . . . A 136 ARG HB3 . 30627 1 423 . 1 1 43 43 ARG HG2 H 1 1.479 0.00 . . . . . . A 136 ARG HG2 . 30627 1 424 . 1 1 43 43 ARG HG3 H 1 1.409 0.00 . . . . . . A 136 ARG HG3 . 30627 1 425 . 1 1 43 43 ARG HD2 H 1 3.210 0.00 . . . . . . A 136 ARG HD2 . 30627 1 426 . 1 1 43 43 ARG HD3 H 1 3.110 0.01 . . . . . . A 136 ARG HD3 . 30627 1 427 . 1 1 43 43 ARG C C 13 173.541 0.00 . . . . . . A 136 ARG C . 30627 1 428 . 1 1 43 43 ARG CA C 13 54.080 0.05 . . . . . . A 136 ARG CA . 30627 1 429 . 1 1 43 43 ARG CB C 13 34.611 0.04 . . . . . . A 136 ARG CB . 30627 1 430 . 1 1 43 43 ARG CG C 13 26.332 0.03 . . . . . . A 136 ARG CG . 30627 1 431 . 1 1 43 43 ARG CD C 13 42.950 0.07 . . . . . . A 136 ARG CD . 30627 1 432 . 1 1 43 43 ARG N N 15 123.385 0.03 . . . . . . A 136 ARG N . 30627 1 433 . 1 1 44 44 VAL H H 1 8.596 0.00 . . . . . . A 137 VAL H . 30627 1 434 . 1 1 44 44 VAL HA H 1 4.726 0.01 . . . . . . A 137 VAL HA . 30627 1 435 . 1 1 44 44 VAL HB H 1 1.947 0.01 . . . . . . A 137 VAL HB . 30627 1 436 . 1 1 44 44 VAL HG11 H 1 0.903 0.01 . . . . . . A 137 VAL HG11 . 30627 1 437 . 1 1 44 44 VAL HG12 H 1 0.903 0.01 . . . . . . A 137 VAL HG12 . 30627 1 438 . 1 1 44 44 VAL HG13 H 1 0.903 0.01 . . . . . . A 137 VAL HG13 . 30627 1 439 . 1 1 44 44 VAL HG21 H 1 0.767 0.01 . . . . . . A 137 VAL HG21 . 30627 1 440 . 1 1 44 44 VAL HG22 H 1 0.767 0.01 . . . . . . A 137 VAL HG22 . 30627 1 441 . 1 1 44 44 VAL HG23 H 1 0.767 0.01 . . . . . . A 137 VAL HG23 . 30627 1 442 . 1 1 44 44 VAL C C 13 175.662 0.00 . . . . . . A 137 VAL C . 30627 1 443 . 1 1 44 44 VAL CA C 13 62.170 0.03 . . . . . . A 137 VAL CA . 30627 1 444 . 1 1 44 44 VAL CB C 13 32.068 0.06 . . . . . . A 137 VAL CB . 30627 1 445 . 1 1 44 44 VAL CG1 C 13 21.582 0.01 . . . . . . A 137 VAL CG1 . 30627 1 446 . 1 1 44 44 VAL CG2 C 13 21.791 0.04 . . . . . . A 137 VAL CG2 . 30627 1 447 . 1 1 44 44 VAL N N 15 123.942 0.06 . . . . . . A 137 VAL N . 30627 1 448 . 1 1 45 45 VAL H H 1 9.000 0.00 . . . . . . A 138 VAL H . 30627 1 449 . 1 1 45 45 VAL HA H 1 5.071 0.01 . . . . . . A 138 VAL HA . 30627 1 450 . 1 1 45 45 VAL HB H 1 2.023 0.01 . . . . . . A 138 VAL HB . 30627 1 451 . 1 1 45 45 VAL HG11 H 1 0.755 0.00 . . . . . . A 138 VAL HG11 . 30627 1 452 . 1 1 45 45 VAL HG12 H 1 0.755 0.00 . . . . . . A 138 VAL HG12 . 30627 1 453 . 1 1 45 45 VAL HG13 H 1 0.755 0.00 . . . . . . A 138 VAL HG13 . 30627 1 454 . 1 1 45 45 VAL HG21 H 1 0.800 0.01 . . . . . . A 138 VAL HG21 . 30627 1 455 . 1 1 45 45 VAL HG22 H 1 0.800 0.01 . . . . . . A 138 VAL HG22 . 30627 1 456 . 1 1 45 45 VAL HG23 H 1 0.800 0.01 . . . . . . A 138 VAL HG23 . 30627 1 457 . 1 1 45 45 VAL C C 13 173.755 0.00 . . . . . . A 138 VAL C . 30627 1 458 . 1 1 45 45 VAL CA C 13 58.318 0.03 . . . . . . A 138 VAL CA . 30627 1 459 . 1 1 45 45 VAL CB C 13 34.445 0.08 . . . . . . A 138 VAL CB . 30627 1 460 . 1 1 45 45 VAL CG1 C 13 19.311 0.07 . . . . . . A 138 VAL CG1 . 30627 1 461 . 1 1 45 45 VAL CG2 C 13 21.416 0.08 . . . . . . A 138 VAL CG2 . 30627 1 462 . 1 1 45 45 VAL N N 15 121.326 0.03 . . . . . . A 138 VAL N . 30627 1 463 . 1 1 46 46 GLU H H 1 8.627 0.01 . . . . . . A 139 GLU H . 30627 1 464 . 1 1 46 46 GLU HA H 1 5.307 0.01 . . . . . . A 139 GLU HA . 30627 1 465 . 1 1 46 46 GLU HB2 H 1 1.911 0.00 . . . . . . A 139 GLU HB2 . 30627 1 466 . 1 1 46 46 GLU HG2 H 1 1.927 0.00 . . . . . . A 139 GLU HG2 . 30627 1 467 . 1 1 46 46 GLU HG3 H 1 1.903 0.01 . . . . . . A 139 GLU HG3 . 30627 1 468 . 1 1 46 46 GLU CA C 13 54.519 0.06 . . . . . . A 139 GLU CA . 30627 1 469 . 1 1 46 46 GLU CB C 13 32.054 0.08 . . . . . . A 139 GLU CB . 30627 1 470 . 1 1 46 46 GLU CG C 13 36.828 0.03 . . . . . . A 139 GLU CG . 30627 1 471 . 1 1 46 46 GLU N N 15 122.682 0.05 . . . . . . A 139 GLU N . 30627 1 472 . 1 1 47 47 VAL H H 1 8.839 0.00 . . . . . . A 140 VAL H . 30627 1 473 . 1 1 47 47 VAL HA H 1 4.381 0.01 . . . . . . A 140 VAL HA . 30627 1 474 . 1 1 47 47 VAL HB H 1 1.901 0.01 . . . . . . A 140 VAL HB . 30627 1 475 . 1 1 47 47 VAL HG11 H 1 0.816 0.01 . . . . . . A 140 VAL HG11 . 30627 1 476 . 1 1 47 47 VAL HG12 H 1 0.816 0.01 . . . . . . A 140 VAL HG12 . 30627 1 477 . 1 1 47 47 VAL HG13 H 1 0.816 0.01 . . . . . . A 140 VAL HG13 . 30627 1 478 . 1 1 47 47 VAL C C 13 174.443 0.00 . . . . . . A 140 VAL C . 30627 1 479 . 1 1 47 47 VAL CA C 13 60.401 0.07 . . . . . . A 140 VAL CA . 30627 1 480 . 1 1 47 47 VAL CB C 13 34.018 0.08 . . . . . . A 140 VAL CB . 30627 1 481 . 1 1 47 47 VAL CG1 C 13 21.170 0.04 . . . . . . A 140 VAL CG1 . 30627 1 482 . 1 1 47 47 VAL CG2 C 13 21.034 0.02 . . . . . . A 140 VAL CG2 . 30627 1 483 . 1 1 47 47 VAL N N 15 123.866 0.04 . . . . . . A 140 VAL N . 30627 1 484 . 1 1 48 48 ALA H H 1 9.506 0.00 . . . . . . A 141 ALA H . 30627 1 485 . 1 1 48 48 ALA HA H 1 4.024 0.01 . . . . . . A 141 ALA HA . 30627 1 486 . 1 1 48 48 ALA HB1 H 1 1.383 0.01 . . . . . . A 141 ALA HB1 . 30627 1 487 . 1 1 48 48 ALA HB2 H 1 1.383 0.01 . . . . . . A 141 ALA HB2 . 30627 1 488 . 1 1 48 48 ALA HB3 H 1 1.383 0.01 . . . . . . A 141 ALA HB3 . 30627 1 489 . 1 1 48 48 ALA C C 13 177.162 0.00 . . . . . . A 141 ALA C . 30627 1 490 . 1 1 48 48 ALA CA C 13 52.858 0.04 . . . . . . A 141 ALA CA . 30627 1 491 . 1 1 48 48 ALA CB C 13 17.592 0.06 . . . . . . A 141 ALA CB . 30627 1 492 . 1 1 48 48 ALA N N 15 131.140 0.03 . . . . . . A 141 ALA N . 30627 1 493 . 1 1 49 49 GLY H H 1 8.733 0.00 . . . . . . A 142 GLY H . 30627 1 494 . 1 1 49 49 GLY HA2 H 1 4.138 0.01 . . . . . . A 142 GLY HA2 . 30627 1 495 . 1 1 49 49 GLY HA3 H 1 3.604 0.01 . . . . . . A 142 GLY HA3 . 30627 1 496 . 1 1 49 49 GLY C C 13 173.904 0.00 . . . . . . A 142 GLY C . 30627 1 497 . 1 1 49 49 GLY CA C 13 45.514 0.05 . . . . . . A 142 GLY CA . 30627 1 498 . 1 1 49 49 GLY N N 15 103.869 0.03 . . . . . . A 142 GLY N . 30627 1 499 . 1 1 50 50 ARG H H 1 8.042 0.00 . . . . . . A 143 ARG H . 30627 1 500 . 1 1 50 50 ARG HA H 1 4.610 0.01 . . . . . . A 143 ARG HA . 30627 1 501 . 1 1 50 50 ARG HB2 H 1 1.821 0.00 . . . . . . A 143 ARG HB2 . 30627 1 502 . 1 1 50 50 ARG HB3 H 1 1.690 0.06 . . . . . . A 143 ARG HB3 . 30627 1 503 . 1 1 50 50 ARG HG2 H 1 1.632 0.01 . . . . . . A 143 ARG HG2 . 30627 1 504 . 1 1 50 50 ARG HD2 H 1 3.200 0.00 . . . . . . A 143 ARG HD2 . 30627 1 505 . 1 1 50 50 ARG C C 13 174.654 0.00 . . . . . . A 143 ARG C . 30627 1 506 . 1 1 50 50 ARG CA C 13 54.889 0.10 . . . . . . A 143 ARG CA . 30627 1 507 . 1 1 50 50 ARG CB C 13 31.731 0.52 . . . . . . A 143 ARG CB . 30627 1 508 . 1 1 50 50 ARG CG C 13 27.183 0.11 . . . . . . A 143 ARG CG . 30627 1 509 . 1 1 50 50 ARG CD C 13 43.852 0.03 . . . . . . A 143 ARG CD . 30627 1 510 . 1 1 50 50 ARG N N 15 121.195 0.01 . . . . . . A 143 ARG N . 30627 1 511 . 1 1 51 51 ARG H H 1 8.518 0.00 . . . . . . A 144 ARG H . 30627 1 512 . 1 1 51 51 ARG HA H 1 4.994 0.01 . . . . . . A 144 ARG HA . 30627 1 513 . 1 1 51 51 ARG HB2 H 1 1.671 0.01 . . . . . . A 144 ARG HB2 . 30627 1 514 . 1 1 51 51 ARG HB3 H 1 1.643 0.04 . . . . . . A 144 ARG HB3 . 30627 1 515 . 1 1 51 51 ARG HG2 H 1 1.583 0.00 . . . . . . A 144 ARG HG2 . 30627 1 516 . 1 1 51 51 ARG HG3 H 1 1.359 0.00 . . . . . . A 144 ARG HG3 . 30627 1 517 . 1 1 51 51 ARG HD2 H 1 3.161 0.01 . . . . . . A 144 ARG HD2 . 30627 1 518 . 1 1 51 51 ARG HD3 H 1 3.079 0.00 . . . . . . A 144 ARG HD3 . 30627 1 519 . 1 1 51 51 ARG C C 13 175.935 0.00 . . . . . . A 144 ARG C . 30627 1 520 . 1 1 51 51 ARG CA C 13 55.739 0.04 . . . . . . A 144 ARG CA . 30627 1 521 . 1 1 51 51 ARG CB C 13 31.305 0.06 . . . . . . A 144 ARG CB . 30627 1 522 . 1 1 51 51 ARG CG C 13 28.262 0.04 . . . . . . A 144 ARG CG . 30627 1 523 . 1 1 51 51 ARG CD C 13 43.549 0.05 . . . . . . A 144 ARG CD . 30627 1 524 . 1 1 51 51 ARG N N 15 123.370 0.04 . . . . . . A 144 ARG N . 30627 1 525 . 1 1 52 52 VAL H H 1 9.194 0.00 . . . . . . A 145 VAL H . 30627 1 526 . 1 1 52 52 VAL HA H 1 4.367 0.01 . . . . . . A 145 VAL HA . 30627 1 527 . 1 1 52 52 VAL HB H 1 1.898 0.01 . . . . . . A 145 VAL HB . 30627 1 528 . 1 1 52 52 VAL HG11 H 1 0.825 0.01 . . . . . . A 145 VAL HG11 . 30627 1 529 . 1 1 52 52 VAL HG12 H 1 0.825 0.01 . . . . . . A 145 VAL HG12 . 30627 1 530 . 1 1 52 52 VAL HG13 H 1 0.825 0.01 . . . . . . A 145 VAL HG13 . 30627 1 531 . 1 1 52 52 VAL HG21 H 1 0.832 0.00 . . . . . . A 145 VAL HG21 . 30627 1 532 . 1 1 52 52 VAL HG22 H 1 0.832 0.00 . . . . . . A 145 VAL HG22 . 30627 1 533 . 1 1 52 52 VAL HG23 H 1 0.832 0.00 . . . . . . A 145 VAL HG23 . 30627 1 534 . 1 1 52 52 VAL C C 13 173.906 0.00 . . . . . . A 145 VAL C . 30627 1 535 . 1 1 52 52 VAL CA C 13 60.746 0.06 . . . . . . A 145 VAL CA . 30627 1 536 . 1 1 52 52 VAL CB C 13 33.214 6.60 . . . . . . A 145 VAL CB . 30627 1 537 . 1 1 52 52 VAL CG1 C 13 21.219 0.07 . . . . . . A 145 VAL CG1 . 30627 1 538 . 1 1 52 52 VAL CG2 C 13 20.867 0.04 . . . . . . A 145 VAL CG2 . 30627 1 539 . 1 1 52 52 VAL N N 15 124.681 0.05 . . . . . . A 145 VAL N . 30627 1 540 . 1 1 53 53 SER H H 1 8.585 0.00 . . . . . . A 146 SER H . 30627 1 541 . 1 1 53 53 SER HA H 1 4.926 0.01 . . . . . . A 146 SER HA . 30627 1 542 . 1 1 53 53 SER HB2 H 1 3.804 0.01 . . . . . . A 146 SER HB2 . 30627 1 543 . 1 1 53 53 SER HB3 H 1 3.708 0.01 . . . . . . A 146 SER HB3 . 30627 1 544 . 1 1 53 53 SER C C 13 173.892 0.00 . . . . . . A 146 SER C . 30627 1 545 . 1 1 53 53 SER CA C 13 58.243 0.03 . . . . . . A 146 SER CA . 30627 1 546 . 1 1 53 53 SER CB C 13 63.152 0.05 . . . . . . A 146 SER CB . 30627 1 547 . 1 1 53 53 SER N N 15 121.891 0.03 . . . . . . A 146 SER N . 30627 1 548 . 1 1 54 54 VAL H H 1 9.171 0.00 . . . . . . A 147 VAL H . 30627 1 549 . 1 1 54 54 VAL HA H 1 4.398 0.01 . . . . . . A 147 VAL HA . 30627 1 550 . 1 1 54 54 VAL HB H 1 1.887 0.01 . . . . . . A 147 VAL HB . 30627 1 551 . 1 1 54 54 VAL HG11 H 1 0.753 0.01 . . . . . . A 147 VAL HG11 . 30627 1 552 . 1 1 54 54 VAL HG12 H 1 0.753 0.01 . . . . . . A 147 VAL HG12 . 30627 1 553 . 1 1 54 54 VAL HG13 H 1 0.753 0.01 . . . . . . A 147 VAL HG13 . 30627 1 554 . 1 1 54 54 VAL HG21 H 1 0.811 0.00 . . . . . . A 147 VAL HG21 . 30627 1 555 . 1 1 54 54 VAL HG22 H 1 0.811 0.00 . . . . . . A 147 VAL HG22 . 30627 1 556 . 1 1 54 54 VAL HG23 H 1 0.811 0.00 . . . . . . A 147 VAL HG23 . 30627 1 557 . 1 1 54 54 VAL C C 13 173.596 0.00 . . . . . . A 147 VAL C . 30627 1 558 . 1 1 54 54 VAL CA C 13 60.276 0.10 . . . . . . A 147 VAL CA . 30627 1 559 . 1 1 54 54 VAL CB C 13 35.010 0.06 . . . . . . A 147 VAL CB . 30627 1 560 . 1 1 54 54 VAL CG1 C 13 21.323 0.06 . . . . . . A 147 VAL CG1 . 30627 1 561 . 1 1 54 54 VAL CG2 C 13 20.847 0.05 . . . . . . A 147 VAL CG2 . 30627 1 562 . 1 1 54 54 VAL N N 15 124.873 0.03 . . . . . . A 147 VAL N . 30627 1 563 . 1 1 55 55 ARG H H 1 8.618 0.00 . . . . . . A 148 ARG H . 30627 1 564 . 1 1 55 55 ARG HA H 1 4.538 0.01 . . . . . . A 148 ARG HA . 30627 1 565 . 1 1 55 55 ARG HB2 H 1 1.736 0.01 . . . . . . A 148 ARG HB2 . 30627 1 566 . 1 1 55 55 ARG HB3 H 1 1.742 0.01 . . . . . . A 148 ARG HB3 . 30627 1 567 . 1 1 55 55 ARG HG2 H 1 1.356 0.00 . . . . . . A 148 ARG HG2 . 30627 1 568 . 1 1 55 55 ARG HG3 H 1 1.486 0.00 . . . . . . A 148 ARG HG3 . 30627 1 569 . 1 1 55 55 ARG HD2 H 1 3.097 0.00 . . . . . . A 148 ARG HD2 . 30627 1 570 . 1 1 55 55 ARG HD3 H 1 3.159 0.00 . . . . . . A 148 ARG HD3 . 30627 1 571 . 1 1 55 55 ARG C C 13 174.661 0.00 . . . . . . A 148 ARG C . 30627 1 572 . 1 1 55 55 ARG CA C 13 55.079 0.06 . . . . . . A 148 ARG CA . 30627 1 573 . 1 1 55 55 ARG CB C 13 30.184 0.06 . . . . . . A 148 ARG CB . 30627 1 574 . 1 1 55 55 ARG CG C 13 27.713 0.03 . . . . . . A 148 ARG CG . 30627 1 575 . 1 1 55 55 ARG CD C 13 43.124 0.06 . . . . . . A 148 ARG CD . 30627 1 576 . 1 1 55 55 ARG N N 15 125.778 0.02 . . . . . . A 148 ARG N . 30627 1 577 . 1 1 56 56 ILE H H 1 8.975 0.00 . . . . . . A 149 ILE H . 30627 1 578 . 1 1 56 56 ILE HA H 1 4.296 0.00 . . . . . . A 149 ILE HA . 30627 1 579 . 1 1 56 56 ILE HB H 1 1.864 0.01 . . . . . . A 149 ILE HB . 30627 1 580 . 1 1 56 56 ILE HG12 H 1 0.914 0.00 . . . . . . A 149 ILE HG12 . 30627 1 581 . 1 1 56 56 ILE HG13 H 1 1.430 0.01 . . . . . . A 149 ILE HG13 . 30627 1 582 . 1 1 56 56 ILE HG21 H 1 0.871 0.01 . . . . . . A 149 ILE HG21 . 30627 1 583 . 1 1 56 56 ILE HG22 H 1 0.871 0.01 . . . . . . A 149 ILE HG22 . 30627 1 584 . 1 1 56 56 ILE HG23 H 1 0.871 0.01 . . . . . . A 149 ILE HG23 . 30627 1 585 . 1 1 56 56 ILE HD11 H 1 0.643 0.00 . . . . . . A 149 ILE HD11 . 30627 1 586 . 1 1 56 56 ILE HD12 H 1 0.643 0.00 . . . . . . A 149 ILE HD12 . 30627 1 587 . 1 1 56 56 ILE HD13 H 1 0.643 0.00 . . . . . . A 149 ILE HD13 . 30627 1 588 . 1 1 56 56 ILE CA C 13 57.899 0.03 . . . . . . A 149 ILE CA . 30627 1 589 . 1 1 56 56 ILE CB C 13 38.826 0.03 . . . . . . A 149 ILE CB . 30627 1 590 . 1 1 56 56 ILE CG1 C 13 28.067 0.09 . . . . . . A 149 ILE CG1 . 30627 1 591 . 1 1 56 56 ILE CG2 C 13 18.089 0.03 . . . . . . A 149 ILE CG2 . 30627 1 592 . 1 1 56 56 ILE CD1 C 13 14.350 0.03 . . . . . . A 149 ILE CD1 . 30627 1 593 . 1 1 56 56 ILE N N 15 128.709 0.04 . . . . . . A 149 ILE N . 30627 1 594 . 1 1 58 58 PRO HA H 1 3.885 0.04 . . . . . . A 151 PRO HA . 30627 1 595 . 1 1 58 58 PRO HB2 H 1 2.096 0.00 . . . . . . A 151 PRO HB2 . 30627 1 596 . 1 1 58 58 PRO HB3 H 1 1.683 0.00 . . . . . . A 151 PRO HB3 . 30627 1 597 . 1 1 58 58 PRO HD2 H 1 3.578 0.00 . . . . . . A 151 PRO HD2 . 30627 1 598 . 1 1 58 58 PRO HD3 H 1 3.818 0.00 . . . . . . A 151 PRO HD3 . 30627 1 599 . 1 1 58 58 PRO C C 13 178.777 0.00 . . . . . . A 151 PRO C . 30627 1 600 . 1 1 58 58 PRO CA C 13 63.002 0.03 . . . . . . A 151 PRO CA . 30627 1 601 . 1 1 58 58 PRO CB C 13 31.669 0.04 . . . . . . A 151 PRO CB . 30627 1 602 . 1 1 58 58 PRO CG C 13 27.396 0.04 . . . . . . A 151 PRO CG . 30627 1 603 . 1 1 58 58 PRO CD C 13 49.932 0.05 . . . . . . A 151 PRO CD . 30627 1 604 . 1 1 59 59 GLY H H 1 8.399 0.00 . . . . . . A 152 GLY H . 30627 1 605 . 1 1 59 59 GLY HA2 H 1 3.901 0.01 . . . . . . A 152 GLY HA2 . 30627 1 606 . 1 1 59 59 GLY HA3 H 1 3.653 0.01 . . . . . . A 152 GLY HA3 . 30627 1 607 . 1 1 59 59 GLY C C 13 175.686 0.00 . . . . . . A 152 GLY C . 30627 1 608 . 1 1 59 59 GLY CA C 13 46.303 0.06 . . . . . . A 152 GLY CA . 30627 1 609 . 1 1 59 59 GLY N N 15 111.721 0.04 . . . . . . A 152 GLY N . 30627 1 610 . 1 1 60 60 VAL H H 1 7.205 0.00 . . . . . . A 153 VAL H . 30627 1 611 . 1 1 60 60 VAL HA H 1 4.071 0.01 . . . . . . A 153 VAL HA . 30627 1 612 . 1 1 60 60 VAL HB H 1 2.210 0.01 . . . . . . A 153 VAL HB . 30627 1 613 . 1 1 60 60 VAL HG11 H 1 0.933 0.01 . . . . . . A 153 VAL HG11 . 30627 1 614 . 1 1 60 60 VAL HG12 H 1 0.933 0.01 . . . . . . A 153 VAL HG12 . 30627 1 615 . 1 1 60 60 VAL HG13 H 1 0.933 0.01 . . . . . . A 153 VAL HG13 . 30627 1 616 . 1 1 60 60 VAL HG21 H 1 1.030 0.01 . . . . . . A 153 VAL HG21 . 30627 1 617 . 1 1 60 60 VAL HG22 H 1 1.030 0.01 . . . . . . A 153 VAL HG22 . 30627 1 618 . 1 1 60 60 VAL HG23 H 1 1.030 0.01 . . . . . . A 153 VAL HG23 . 30627 1 619 . 1 1 60 60 VAL C C 13 173.367 0.00 . . . . . . A 153 VAL C . 30627 1 620 . 1 1 60 60 VAL CA C 13 62.189 0.03 . . . . . . A 153 VAL CA . 30627 1 621 . 1 1 60 60 VAL CB C 13 32.649 0.05 . . . . . . A 153 VAL CB . 30627 1 622 . 1 1 60 60 VAL CG1 C 13 19.636 0.03 . . . . . . A 153 VAL CG1 . 30627 1 623 . 1 1 60 60 VAL CG2 C 13 21.869 0.04 . . . . . . A 153 VAL CG2 . 30627 1 624 . 1 1 60 60 VAL N N 15 114.684 0.03 . . . . . . A 153 VAL N . 30627 1 625 . 1 1 61 61 ARG H H 1 8.158 0.00 . . . . . . A 154 ARG H . 30627 1 626 . 1 1 61 61 ARG HA H 1 4.555 0.01 . . . . . . A 154 ARG HA . 30627 1 627 . 1 1 61 61 ARG HB2 H 1 1.690 0.01 . . . . . . A 154 ARG HB2 . 30627 1 628 . 1 1 61 61 ARG HB3 H 1 1.912 0.01 . . . . . . A 154 ARG HB3 . 30627 1 629 . 1 1 61 61 ARG HG2 H 1 1.611 0.01 . . . . . . A 154 ARG HG2 . 30627 1 630 . 1 1 61 61 ARG HG3 H 1 1.595 0.00 . . . . . . A 154 ARG HG3 . 30627 1 631 . 1 1 61 61 ARG HD2 H 1 3.155 0.00 . . . . . . A 154 ARG HD2 . 30627 1 632 . 1 1 61 61 ARG C C 13 175.671 0.00 . . . . . . A 154 ARG C . 30627 1 633 . 1 1 61 61 ARG CA C 13 53.712 0.06 . . . . . . A 154 ARG CA . 30627 1 634 . 1 1 61 61 ARG CB C 13 33.059 0.05 . . . . . . A 154 ARG CB . 30627 1 635 . 1 1 61 61 ARG CG C 13 26.527 0.05 . . . . . . A 154 ARG CG . 30627 1 636 . 1 1 61 61 ARG CD C 13 43.417 0.04 . . . . . . A 154 ARG CD . 30627 1 637 . 1 1 61 61 ARG N N 15 118.004 0.03 . . . . . . A 154 ARG N . 30627 1 638 . 1 1 62 62 GLU H H 1 8.391 0.00 . . . . . . A 155 GLU H . 30627 1 639 . 1 1 62 62 GLU HA H 1 3.849 0.01 . . . . . . A 155 GLU HA . 30627 1 640 . 1 1 62 62 GLU HB2 H 1 1.898 0.01 . . . . . . A 155 GLU HB2 . 30627 1 641 . 1 1 62 62 GLU HB3 H 1 2.151 0.01 . . . . . . A 155 GLU HB3 . 30627 1 642 . 1 1 62 62 GLU HG2 H 1 2.408 0.00 . . . . . . A 155 GLU HG2 . 30627 1 643 . 1 1 62 62 GLU HG3 H 1 2.112 0.00 . . . . . . A 155 GLU HG3 . 30627 1 644 . 1 1 62 62 GLU C C 13 178.012 0.00 . . . . . . A 155 GLU C . 30627 1 645 . 1 1 62 62 GLU CA C 13 58.468 0.04 . . . . . . A 155 GLU CA . 30627 1 646 . 1 1 62 62 GLU CB C 13 29.399 0.06 . . . . . . A 155 GLU CB . 30627 1 647 . 1 1 62 62 GLU CG C 13 35.315 0.04 . . . . . . A 155 GLU CG . 30627 1 648 . 1 1 62 62 GLU N N 15 120.891 0.03 . . . . . . A 155 GLU N . 30627 1 649 . 1 1 63 63 GLY H H 1 9.287 0.00 . . . . . . A 156 GLY H . 30627 1 650 . 1 1 63 63 GLY HA2 H 1 4.304 0.01 . . . . . . A 156 GLY HA2 . 30627 1 651 . 1 1 63 63 GLY HA3 H 1 3.502 0.01 . . . . . . A 156 GLY HA3 . 30627 1 652 . 1 1 63 63 GLY C C 13 174.810 0.00 . . . . . . A 156 GLY C . 30627 1 653 . 1 1 63 63 GLY CA C 13 45.360 0.05 . . . . . . A 156 GLY CA . 30627 1 654 . 1 1 63 63 GLY N N 15 117.125 0.03 . . . . . . A 156 GLY N . 30627 1 655 . 1 1 64 64 SER H H 1 8.279 0.00 . . . . . . A 157 SER H . 30627 1 656 . 1 1 64 64 SER HA H 1 4.288 0.01 . . . . . . A 157 SER HA . 30627 1 657 . 1 1 64 64 SER HB2 H 1 3.843 0.01 . . . . . . A 157 SER HB2 . 30627 1 658 . 1 1 64 64 SER HB3 H 1 3.832 0.00 . . . . . . A 157 SER HB3 . 30627 1 659 . 1 1 64 64 SER C C 13 171.660 0.00 . . . . . . A 157 SER C . 30627 1 660 . 1 1 64 64 SER CA C 13 61.401 0.03 . . . . . . A 157 SER CA . 30627 1 661 . 1 1 64 64 SER CB C 13 63.569 0.06 . . . . . . A 157 SER CB . 30627 1 662 . 1 1 64 64 SER N N 15 118.575 0.04 . . . . . . A 157 SER N . 30627 1 663 . 1 1 65 65 VAL H H 1 8.419 0.00 . . . . . . A 158 VAL H . 30627 1 664 . 1 1 65 65 VAL HA H 1 5.048 0.01 . . . . . . A 158 VAL HA . 30627 1 665 . 1 1 65 65 VAL HB H 1 1.890 0.01 . . . . . . A 158 VAL HB . 30627 1 666 . 1 1 65 65 VAL HG11 H 1 0.754 0.01 . . . . . . A 158 VAL HG11 . 30627 1 667 . 1 1 65 65 VAL HG12 H 1 0.754 0.01 . . . . . . A 158 VAL HG12 . 30627 1 668 . 1 1 65 65 VAL HG13 H 1 0.754 0.01 . . . . . . A 158 VAL HG13 . 30627 1 669 . 1 1 65 65 VAL HG21 H 1 0.966 0.01 . . . . . . A 158 VAL HG21 . 30627 1 670 . 1 1 65 65 VAL HG22 H 1 0.966 0.01 . . . . . . A 158 VAL HG22 . 30627 1 671 . 1 1 65 65 VAL HG23 H 1 0.966 0.01 . . . . . . A 158 VAL HG23 . 30627 1 672 . 1 1 65 65 VAL C C 13 176.779 0.00 . . . . . . A 158 VAL C . 30627 1 673 . 1 1 65 65 VAL CA C 13 61.007 0.05 . . . . . . A 158 VAL CA . 30627 1 674 . 1 1 65 65 VAL CB C 13 33.911 0.06 . . . . . . A 158 VAL CB . 30627 1 675 . 1 1 65 65 VAL CG1 C 13 21.833 0.09 . . . . . . A 158 VAL CG1 . 30627 1 676 . 1 1 65 65 VAL CG2 C 13 21.749 0.04 . . . . . . A 158 VAL CG2 . 30627 1 677 . 1 1 65 65 VAL N N 15 121.948 0.03 . . . . . . A 158 VAL N . 30627 1 678 . 1 1 66 66 ILE H H 1 9.588 0.00 . . . . . . A 159 ILE H . 30627 1 679 . 1 1 66 66 ILE HA H 1 4.208 0.01 . . . . . . A 159 ILE HA . 30627 1 680 . 1 1 66 66 ILE HB H 1 1.733 0.00 . . . . . . A 159 ILE HB . 30627 1 681 . 1 1 66 66 ILE HG12 H 1 1.018 0.00 . . . . . . A 159 ILE HG12 . 30627 1 682 . 1 1 66 66 ILE HG13 H 1 1.476 0.00 . . . . . . A 159 ILE HG13 . 30627 1 683 . 1 1 66 66 ILE HG21 H 1 0.820 0.00 . . . . . . A 159 ILE HG21 . 30627 1 684 . 1 1 66 66 ILE HG22 H 1 0.820 0.00 . . . . . . A 159 ILE HG22 . 30627 1 685 . 1 1 66 66 ILE HG23 H 1 0.820 0.00 . . . . . . A 159 ILE HG23 . 30627 1 686 . 1 1 66 66 ILE HD11 H 1 0.787 0.00 . . . . . . A 159 ILE HD11 . 30627 1 687 . 1 1 66 66 ILE HD12 H 1 0.787 0.00 . . . . . . A 159 ILE HD12 . 30627 1 688 . 1 1 66 66 ILE HD13 H 1 0.787 0.00 . . . . . . A 159 ILE HD13 . 30627 1 689 . 1 1 66 66 ILE C C 13 174.110 0.00 . . . . . . A 159 ILE C . 30627 1 690 . 1 1 66 66 ILE CA C 13 60.508 0.07 . . . . . . A 159 ILE CA . 30627 1 691 . 1 1 66 66 ILE CB C 13 40.376 0.04 . . . . . . A 159 ILE CB . 30627 1 692 . 1 1 66 66 ILE CG1 C 13 27.274 0.05 . . . . . . A 159 ILE CG1 . 30627 1 693 . 1 1 66 66 ILE CG2 C 13 17.205 0.03 . . . . . . A 159 ILE CG2 . 30627 1 694 . 1 1 66 66 ILE CD1 C 13 15.221 0.05 . . . . . . A 159 ILE CD1 . 30627 1 695 . 1 1 66 66 ILE N N 15 130.838 0.02 . . . . . . A 159 ILE N . 30627 1 696 . 1 1 67 67 ARG H H 1 8.813 0.00 . . . . . . A 160 ARG H . 30627 1 697 . 1 1 67 67 ARG HA H 1 4.878 0.01 . . . . . . A 160 ARG HA . 30627 1 698 . 1 1 67 67 ARG HB2 H 1 1.770 0.01 . . . . . . A 160 ARG HB2 . 30627 1 699 . 1 1 67 67 ARG HB3 H 1 1.622 0.00 . . . . . . A 160 ARG HB3 . 30627 1 700 . 1 1 67 67 ARG HG2 H 1 0.988 0.01 . . . . . . A 160 ARG HG2 . 30627 1 701 . 1 1 67 67 ARG HG3 H 1 1.297 0.00 . . . . . . A 160 ARG HG3 . 30627 1 702 . 1 1 67 67 ARG HD2 H 1 3.325 0.00 . . . . . . A 160 ARG HD2 . 30627 1 703 . 1 1 67 67 ARG HD3 H 1 3.086 0.00 . . . . . . A 160 ARG HD3 . 30627 1 704 . 1 1 67 67 ARG C C 13 175.714 0.00 . . . . . . A 160 ARG C . 30627 1 705 . 1 1 67 67 ARG CA C 13 55.251 0.03 . . . . . . A 160 ARG CA . 30627 1 706 . 1 1 67 67 ARG CB C 13 32.043 0.07 . . . . . . A 160 ARG CB . 30627 1 707 . 1 1 67 67 ARG CG C 13 28.730 0.02 . . . . . . A 160 ARG CG . 30627 1 708 . 1 1 67 67 ARG CD C 13 43.100 0.04 . . . . . . A 160 ARG CD . 30627 1 709 . 1 1 67 67 ARG N N 15 128.633 0.04 . . . . . . A 160 ARG N . 30627 1 710 . 1 1 68 68 VAL H H 1 9.839 0.00 . . . . . . A 161 VAL H . 30627 1 711 . 1 1 68 68 VAL HA H 1 4.600 0.00 . . . . . . A 161 VAL HA . 30627 1 712 . 1 1 68 68 VAL HB H 1 2.270 0.00 . . . . . . A 161 VAL HB . 30627 1 713 . 1 1 68 68 VAL HG11 H 1 0.925 0.01 . . . . . . A 161 VAL HG11 . 30627 1 714 . 1 1 68 68 VAL HG12 H 1 0.925 0.01 . . . . . . A 161 VAL HG12 . 30627 1 715 . 1 1 68 68 VAL HG13 H 1 0.925 0.01 . . . . . . A 161 VAL HG13 . 30627 1 716 . 1 1 68 68 VAL HG21 H 1 0.855 0.00 . . . . . . A 161 VAL HG21 . 30627 1 717 . 1 1 68 68 VAL HG22 H 1 0.855 0.00 . . . . . . A 161 VAL HG22 . 30627 1 718 . 1 1 68 68 VAL HG23 H 1 0.855 0.00 . . . . . . A 161 VAL HG23 . 30627 1 719 . 1 1 68 68 VAL CA C 13 59.478 0.02 . . . . . . A 161 VAL CA . 30627 1 720 . 1 1 68 68 VAL CB C 13 31.934 0.01 . . . . . . A 161 VAL CB . 30627 1 721 . 1 1 68 68 VAL CG1 C 13 22.289 0.04 . . . . . . A 161 VAL CG1 . 30627 1 722 . 1 1 68 68 VAL CG2 C 13 20.135 0.03 . . . . . . A 161 VAL CG2 . 30627 1 723 . 1 1 68 68 VAL N N 15 130.474 0.02 . . . . . . A 161 VAL N . 30627 1 724 . 1 1 69 69 PRO HA H 1 4.344 0.01 . . . . . . A 162 PRO HA . 30627 1 725 . 1 1 69 69 PRO HB2 H 1 1.936 0.01 . . . . . . A 162 PRO HB2 . 30627 1 726 . 1 1 69 69 PRO HB3 H 1 2.282 0.01 . . . . . . A 162 PRO HB3 . 30627 1 727 . 1 1 69 69 PRO HG2 H 1 2.172 0.00 . . . . . . A 162 PRO HG2 . 30627 1 728 . 1 1 69 69 PRO HG3 H 1 1.823 0.00 . . . . . . A 162 PRO HG3 . 30627 1 729 . 1 1 69 69 PRO HD2 H 1 4.000 0.00 . . . . . . A 162 PRO HD2 . 30627 1 730 . 1 1 69 69 PRO HD3 H 1 3.808 0.00 . . . . . . A 162 PRO HD3 . 30627 1 731 . 1 1 69 69 PRO C C 13 178.788 0.00 . . . . . . A 162 PRO C . 30627 1 732 . 1 1 69 69 PRO CA C 13 63.118 0.07 . . . . . . A 162 PRO CA . 30627 1 733 . 1 1 69 69 PRO CB C 13 32.324 0.07 . . . . . . A 162 PRO CB . 30627 1 734 . 1 1 69 69 PRO CG C 13 27.680 0.02 . . . . . . A 162 PRO CG . 30627 1 735 . 1 1 69 69 PRO CD C 13 51.996 0.05 . . . . . . A 162 PRO CD . 30627 1 736 . 1 1 70 70 GLY H H 1 9.459 0.00 . . . . . . A 163 GLY H . 30627 1 737 . 1 1 70 70 GLY HA2 H 1 4.005 0.01 . . . . . . A 163 GLY HA2 . 30627 1 738 . 1 1 70 70 GLY HA3 H 1 3.739 0.01 . . . . . . A 163 GLY HA3 . 30627 1 739 . 1 1 70 70 GLY C C 13 175.238 0.00 . . . . . . A 163 GLY C . 30627 1 740 . 1 1 70 70 GLY CA C 13 47.032 0.03 . . . . . . A 163 GLY CA . 30627 1 741 . 1 1 70 70 GLY N N 15 110.827 0.03 . . . . . . A 163 GLY N . 30627 1 742 . 1 1 71 71 MET H H 1 6.593 0.00 . . . . . . A 164 MET H . 30627 1 743 . 1 1 71 71 MET HA H 1 5.025 0.02 . . . . . . A 164 MET HA . 30627 1 744 . 1 1 71 71 MET HB2 H 1 2.293 0.02 . . . . . . A 164 MET HB2 . 30627 1 745 . 1 1 71 71 MET HB3 H 1 1.619 0.01 . . . . . . A 164 MET HB3 . 30627 1 746 . 1 1 71 71 MET HG2 H 1 2.722 0.00 . . . . . . A 164 MET HG2 . 30627 1 747 . 1 1 71 71 MET HG3 H 1 2.356 0.00 . . . . . . A 164 MET HG3 . 30627 1 748 . 1 1 71 71 MET HE1 H 1 2.082 0.00 . . . . . . A 164 MET HE1 . 30627 1 749 . 1 1 71 71 MET HE2 H 1 2.082 0.00 . . . . . . A 164 MET HE2 . 30627 1 750 . 1 1 71 71 MET HE3 H 1 2.082 0.00 . . . . . . A 164 MET HE3 . 30627 1 751 . 1 1 71 71 MET C C 13 175.048 0.00 . . . . . . A 164 MET C . 30627 1 752 . 1 1 71 71 MET CA C 13 53.564 0.04 . . . . . . A 164 MET CA . 30627 1 753 . 1 1 71 71 MET CB C 13 31.957 0.07 . . . . . . A 164 MET CB . 30627 1 754 . 1 1 71 71 MET CG C 13 33.102 0.04 . . . . . . A 164 MET CG . 30627 1 755 . 1 1 71 71 MET CE C 13 17.931 0.01 . . . . . . A 164 MET CE . 30627 1 756 . 1 1 71 71 MET N N 15 115.483 0.03 . . . . . . A 164 MET N . 30627 1 757 . 1 1 72 72 GLY H H 1 8.181 0.00 . . . . . . A 165 GLY H . 30627 1 758 . 1 1 72 72 GLY HA2 H 1 4.095 0.01 . . . . . . A 165 GLY HA2 . 30627 1 759 . 1 1 72 72 GLY HA3 H 1 3.128 0.01 . . . . . . A 165 GLY HA3 . 30627 1 760 . 1 1 72 72 GLY C C 13 173.684 0.00 . . . . . . A 165 GLY C . 30627 1 761 . 1 1 72 72 GLY CA C 13 43.999 0.09 . . . . . . A 165 GLY CA . 30627 1 762 . 1 1 72 72 GLY N N 15 108.936 0.03 . . . . . . A 165 GLY N . 30627 1 763 . 1 1 73 73 GLY H H 1 8.798 0.00 . . . . . . A 166 GLY H . 30627 1 764 . 1 1 73 73 GLY HA2 H 1 3.814 0.02 . . . . . . A 166 GLY HA2 . 30627 1 765 . 1 1 73 73 GLY HA3 H 1 3.829 0.00 . . . . . . A 166 GLY HA3 . 30627 1 766 . 1 1 73 73 GLY C C 13 173.499 0.00 . . . . . . A 166 GLY C . 30627 1 767 . 1 1 73 73 GLY CA C 13 45.677 0.03 . . . . . . A 166 GLY CA . 30627 1 768 . 1 1 73 73 GLY N N 15 111.305 0.02 . . . . . . A 166 GLY N . 30627 1 769 . 1 1 74 74 GLN H H 1 8.511 0.00 . . . . . . A 167 GLN H . 30627 1 770 . 1 1 74 74 GLN HA H 1 4.220 0.01 . . . . . . A 167 GLN HA . 30627 1 771 . 1 1 74 74 GLN HB2 H 1 2.036 0.01 . . . . . . A 167 GLN HB2 . 30627 1 772 . 1 1 74 74 GLN HB3 H 1 2.082 0.02 . . . . . . A 167 GLN HB3 . 30627 1 773 . 1 1 74 74 GLN HG2 H 1 2.455 0.00 . . . . . . A 167 GLN HG2 . 30627 1 774 . 1 1 74 74 GLN HG3 H 1 2.450 0.00 . . . . . . A 167 GLN HG3 . 30627 1 775 . 1 1 74 74 GLN C C 13 175.981 0.00 . . . . . . A 167 GLN C . 30627 1 776 . 1 1 74 74 GLN CA C 13 56.498 0.02 . . . . . . A 167 GLN CA . 30627 1 777 . 1 1 74 74 GLN CB C 13 29.205 0.06 . . . . . . A 167 GLN CB . 30627 1 778 . 1 1 74 74 GLN CG C 13 33.852 0.04 . . . . . . A 167 GLN CG . 30627 1 779 . 1 1 74 74 GLN N N 15 120.710 0.02 . . . . . . A 167 GLN N . 30627 1 780 . 1 1 75 75 GLY H H 1 7.997 0.00 . . . . . . A 168 GLY H . 30627 1 781 . 1 1 75 75 GLY HA2 H 1 3.787 0.00 . . . . . . A 168 GLY HA2 . 30627 1 782 . 1 1 75 75 GLY CA C 13 44.746 0.02 . . . . . . A 168 GLY CA . 30627 1 783 . 1 1 75 75 GLY N N 15 108.602 0.02 . . . . . . A 168 GLY N . 30627 1 784 . 1 1 76 76 ASN H H 1 8.134 0.00 . . . . . . A 169 ASN H . 30627 1 785 . 1 1 76 76 ASN HA H 1 5.228 0.00 . . . . . . A 169 ASN HA . 30627 1 786 . 1 1 76 76 ASN HB2 H 1 2.756 0.00 . . . . . . A 169 ASN HB2 . 30627 1 787 . 1 1 76 76 ASN HB3 H 1 2.579 0.00 . . . . . . A 169 ASN HB3 . 30627 1 788 . 1 1 76 76 ASN CA C 13 49.564 0.05 . . . . . . A 169 ASN CA . 30627 1 789 . 1 1 76 76 ASN CB C 13 39.875 0.03 . . . . . . A 169 ASN CB . 30627 1 790 . 1 1 76 76 ASN N N 15 116.840 0.02 . . . . . . A 169 ASN N . 30627 1 791 . 1 1 78 78 PRO HA H 1 4.338 0.01 . . . . . . A 171 PRO HA . 30627 1 792 . 1 1 78 78 PRO HB2 H 1 2.320 0.01 . . . . . . A 171 PRO HB2 . 30627 1 793 . 1 1 78 78 PRO HB3 H 1 1.977 0.01 . . . . . . A 171 PRO HB3 . 30627 1 794 . 1 1 78 78 PRO HG2 H 1 2.181 0.01 . . . . . . A 171 PRO HG2 . 30627 1 795 . 1 1 78 78 PRO HG3 H 1 2.051 0.00 . . . . . . A 171 PRO HG3 . 30627 1 796 . 1 1 78 78 PRO HD3 H 1 3.757 0.08 . . . . . . A 171 PRO HD3 . 30627 1 797 . 1 1 78 78 PRO C C 13 177.768 0.00 . . . . . . A 171 PRO C . 30627 1 798 . 1 1 78 78 PRO CA C 13 62.770 0.08 . . . . . . A 171 PRO CA . 30627 1 799 . 1 1 78 78 PRO CB C 13 32.534 0.06 . . . . . . A 171 PRO CB . 30627 1 800 . 1 1 78 78 PRO CG C 13 27.660 0.04 . . . . . . A 171 PRO CG . 30627 1 801 . 1 1 78 78 PRO CD C 13 50.518 0.05 . . . . . . A 171 PRO CD . 30627 1 802 . 1 1 79 79 GLY H H 1 8.608 0.01 . . . . . . A 172 GLY H . 30627 1 803 . 1 1 79 79 GLY HA2 H 1 4.085 0.01 . . . . . . A 172 GLY HA2 . 30627 1 804 . 1 1 79 79 GLY HA3 H 1 3.471 0.01 . . . . . . A 172 GLY HA3 . 30627 1 805 . 1 1 79 79 GLY C C 13 172.880 0.00 . . . . . . A 172 GLY C . 30627 1 806 . 1 1 79 79 GLY CA C 13 43.838 0.10 . . . . . . A 172 GLY CA . 30627 1 807 . 1 1 79 79 GLY N N 15 106.486 0.02 . . . . . . A 172 GLY N . 30627 1 808 . 1 1 80 80 ASP H H 1 9.164 0.00 . . . . . . A 173 ASP H . 30627 1 809 . 1 1 80 80 ASP HA H 1 4.972 0.01 . . . . . . A 173 ASP HA . 30627 1 810 . 1 1 80 80 ASP HB2 H 1 2.256 0.01 . . . . . . A 173 ASP HB2 . 30627 1 811 . 1 1 80 80 ASP HB3 H 1 2.348 0.01 . . . . . . A 173 ASP HB3 . 30627 1 812 . 1 1 80 80 ASP C C 13 174.324 0.00 . . . . . . A 173 ASP C . 30627 1 813 . 1 1 80 80 ASP CA C 13 53.428 0.05 . . . . . . A 173 ASP CA . 30627 1 814 . 1 1 80 80 ASP CB C 13 42.927 0.06 . . . . . . A 173 ASP CB . 30627 1 815 . 1 1 80 80 ASP N N 15 118.652 0.04 . . . . . . A 173 ASP N . 30627 1 816 . 1 1 81 81 LEU H H 1 7.846 0.00 . . . . . . A 174 LEU H . 30627 1 817 . 1 1 81 81 LEU HA H 1 4.847 0.01 . . . . . . A 174 LEU HA . 30627 1 818 . 1 1 81 81 LEU HB2 H 1 1.769 0.01 . . . . . . A 174 LEU HB2 . 30627 1 819 . 1 1 81 81 LEU HB3 H 1 1.110 0.01 . . . . . . A 174 LEU HB3 . 30627 1 820 . 1 1 81 81 LEU HG H 1 1.256 0.01 . . . . . . A 174 LEU HG . 30627 1 821 . 1 1 81 81 LEU HD11 H 1 0.715 0.01 . . . . . . A 174 LEU HD11 . 30627 1 822 . 1 1 81 81 LEU HD12 H 1 0.715 0.01 . . . . . . A 174 LEU HD12 . 30627 1 823 . 1 1 81 81 LEU HD13 H 1 0.715 0.01 . . . . . . A 174 LEU HD13 . 30627 1 824 . 1 1 81 81 LEU HD21 H 1 0.716 0.00 . . . . . . A 174 LEU HD21 . 30627 1 825 . 1 1 81 81 LEU HD22 H 1 0.716 0.00 . . . . . . A 174 LEU HD22 . 30627 1 826 . 1 1 81 81 LEU HD23 H 1 0.716 0.00 . . . . . . A 174 LEU HD23 . 30627 1 827 . 1 1 81 81 LEU C C 13 173.508 0.00 . . . . . . A 174 LEU C . 30627 1 828 . 1 1 81 81 LEU CA C 13 53.283 0.05 . . . . . . A 174 LEU CA . 30627 1 829 . 1 1 81 81 LEU CB C 13 44.810 0.04 . . . . . . A 174 LEU CB . 30627 1 830 . 1 1 81 81 LEU CG C 13 27.717 0.03 . . . . . . A 174 LEU CG . 30627 1 831 . 1 1 81 81 LEU CD1 C 13 23.029 0.04 . . . . . . A 174 LEU CD1 . 30627 1 832 . 1 1 81 81 LEU CD2 C 13 26.453 0.09 . . . . . . A 174 LEU CD2 . 30627 1 833 . 1 1 81 81 LEU N N 15 121.002 0.02 . . . . . . A 174 LEU N . 30627 1 834 . 1 1 82 82 LEU H H 1 9.403 0.00 . . . . . . A 175 LEU H . 30627 1 835 . 1 1 82 82 LEU HA H 1 4.795 0.00 . . . . . . A 175 LEU HA . 30627 1 836 . 1 1 82 82 LEU HB2 H 1 1.792 0.00 . . . . . . A 175 LEU HB2 . 30627 1 837 . 1 1 82 82 LEU HB3 H 1 1.156 0.00 . . . . . . A 175 LEU HB3 . 30627 1 838 . 1 1 82 82 LEU HG H 1 1.467 0.01 . . . . . . A 175 LEU HG . 30627 1 839 . 1 1 82 82 LEU HD11 H 1 0.813 0.01 . . . . . . A 175 LEU HD11 . 30627 1 840 . 1 1 82 82 LEU HD12 H 1 0.813 0.01 . . . . . . A 175 LEU HD12 . 30627 1 841 . 1 1 82 82 LEU HD13 H 1 0.813 0.01 . . . . . . A 175 LEU HD13 . 30627 1 842 . 1 1 82 82 LEU HD21 H 1 0.802 0.03 . . . . . . A 175 LEU HD21 . 30627 1 843 . 1 1 82 82 LEU HD22 H 1 0.802 0.03 . . . . . . A 175 LEU HD22 . 30627 1 844 . 1 1 82 82 LEU HD23 H 1 0.802 0.03 . . . . . . A 175 LEU HD23 . 30627 1 845 . 1 1 82 82 LEU CA C 13 53.509 0.07 . . . . . . A 175 LEU CA . 30627 1 846 . 1 1 82 82 LEU CB C 13 42.044 0.05 . . . . . . A 175 LEU CB . 30627 1 847 . 1 1 82 82 LEU CG C 13 27.823 0.01 . . . . . . A 175 LEU CG . 30627 1 848 . 1 1 82 82 LEU CD1 C 13 25.058 0.06 . . . . . . A 175 LEU CD1 . 30627 1 849 . 1 1 82 82 LEU CD2 C 13 24.633 0.51 . . . . . . A 175 LEU CD2 . 30627 1 850 . 1 1 82 82 LEU N N 15 129.465 0.03 . . . . . . A 175 LEU N . 30627 1 851 . 1 1 83 83 LEU H H 1 8.944 0.01 . . . . . . A 176 LEU H . 30627 1 852 . 1 1 83 83 LEU HA H 1 5.145 0.01 . . . . . . A 176 LEU HA . 30627 1 853 . 1 1 83 83 LEU HB2 H 1 1.993 0.00 . . . . . . A 176 LEU HB2 . 30627 1 854 . 1 1 83 83 LEU HB3 H 1 1.113 0.01 . . . . . . A 176 LEU HB3 . 30627 1 855 . 1 1 83 83 LEU HG H 1 0.705 0.00 . . . . . . A 176 LEU HG . 30627 1 856 . 1 1 83 83 LEU HD11 H 1 0.768 0.01 . . . . . . A 176 LEU HD11 . 30627 1 857 . 1 1 83 83 LEU HD12 H 1 0.768 0.01 . . . . . . A 176 LEU HD12 . 30627 1 858 . 1 1 83 83 LEU HD13 H 1 0.768 0.01 . . . . . . A 176 LEU HD13 . 30627 1 859 . 1 1 83 83 LEU HD21 H 1 0.706 0.00 . . . . . . A 176 LEU HD21 . 30627 1 860 . 1 1 83 83 LEU HD22 H 1 0.706 0.00 . . . . . . A 176 LEU HD22 . 30627 1 861 . 1 1 83 83 LEU HD23 H 1 0.706 0.00 . . . . . . A 176 LEU HD23 . 30627 1 862 . 1 1 83 83 LEU C C 13 175.359 0.00 . . . . . . A 176 LEU C . 30627 1 863 . 1 1 83 83 LEU CA C 13 52.383 0.06 . . . . . . A 176 LEU CA . 30627 1 864 . 1 1 83 83 LEU CB C 13 42.851 0.11 . . . . . . A 176 LEU CB . 30627 1 865 . 1 1 83 83 LEU CG C 13 25.039 0.04 . . . . . . A 176 LEU CG . 30627 1 866 . 1 1 83 83 LEU CD1 C 13 27.370 0.05 . . . . . . A 176 LEU CD1 . 30627 1 867 . 1 1 83 83 LEU CD2 C 13 24.981 0.06 . . . . . . A 176 LEU CD2 . 30627 1 868 . 1 1 83 83 LEU N N 15 122.942 0.05 . . . . . . A 176 LEU N . 30627 1 869 . 1 1 84 84 VAL H H 1 8.845 0.00 . . . . . . A 177 VAL H . 30627 1 870 . 1 1 84 84 VAL HA H 1 4.503 0.01 . . . . . . A 177 VAL HA . 30627 1 871 . 1 1 84 84 VAL HB H 1 1.853 0.01 . . . . . . A 177 VAL HB . 30627 1 872 . 1 1 84 84 VAL HG21 H 1 0.808 0.01 . . . . . . A 177 VAL HG21 . 30627 1 873 . 1 1 84 84 VAL HG22 H 1 0.808 0.01 . . . . . . A 177 VAL HG22 . 30627 1 874 . 1 1 84 84 VAL HG23 H 1 0.808 0.01 . . . . . . A 177 VAL HG23 . 30627 1 875 . 1 1 84 84 VAL C C 13 176.199 0.00 . . . . . . A 177 VAL C . 30627 1 876 . 1 1 84 84 VAL CA C 13 61.006 0.05 . . . . . . A 177 VAL CA . 30627 1 877 . 1 1 84 84 VAL CB C 13 32.834 0.07 . . . . . . A 177 VAL CB . 30627 1 878 . 1 1 84 84 VAL CG1 C 13 20.902 0.00 . . . . . . A 177 VAL CG1 . 30627 1 879 . 1 1 84 84 VAL CG2 C 13 20.691 0.07 . . . . . . A 177 VAL CG2 . 30627 1 880 . 1 1 84 84 VAL N N 15 123.753 0.05 . . . . . . A 177 VAL N . 30627 1 881 . 1 1 85 85 VAL H H 1 9.062 0.01 . . . . . . A 178 VAL H . 30627 1 882 . 1 1 85 85 VAL HA H 1 4.179 0.01 . . . . . . A 178 VAL HA . 30627 1 883 . 1 1 85 85 VAL HB H 1 2.236 0.01 . . . . . . A 178 VAL HB . 30627 1 884 . 1 1 85 85 VAL HG11 H 1 0.892 0.00 . . . . . . A 178 VAL HG11 . 30627 1 885 . 1 1 85 85 VAL HG12 H 1 0.892 0.00 . . . . . . A 178 VAL HG12 . 30627 1 886 . 1 1 85 85 VAL HG13 H 1 0.892 0.00 . . . . . . A 178 VAL HG13 . 30627 1 887 . 1 1 85 85 VAL HG21 H 1 0.644 0.00 . . . . . . A 178 VAL HG21 . 30627 1 888 . 1 1 85 85 VAL HG22 H 1 0.644 0.00 . . . . . . A 178 VAL HG22 . 30627 1 889 . 1 1 85 85 VAL HG23 H 1 0.644 0.00 . . . . . . A 178 VAL HG23 . 30627 1 890 . 1 1 85 85 VAL C C 13 175.870 0.00 . . . . . . A 178 VAL C . 30627 1 891 . 1 1 85 85 VAL CA C 13 64.483 0.03 . . . . . . A 178 VAL CA . 30627 1 892 . 1 1 85 85 VAL CB C 13 31.886 0.03 . . . . . . A 178 VAL CB . 30627 1 893 . 1 1 85 85 VAL CG1 C 13 22.304 0.10 . . . . . . A 178 VAL CG1 . 30627 1 894 . 1 1 85 85 VAL CG2 C 13 21.856 0.06 . . . . . . A 178 VAL CG2 . 30627 1 895 . 1 1 85 85 VAL N N 15 129.710 0.03 . . . . . . A 178 VAL N . 30627 1 896 . 1 1 86 86 ARG H H 1 8.285 0.00 . . . . . . A 179 ARG H . 30627 1 897 . 1 1 86 86 ARG HA H 1 4.776 0.01 . . . . . . A 179 ARG HA . 30627 1 898 . 1 1 86 86 ARG HB2 H 1 1.548 0.00 . . . . . . A 179 ARG HB2 . 30627 1 899 . 1 1 86 86 ARG HB3 H 1 1.582 0.02 . . . . . . A 179 ARG HB3 . 30627 1 900 . 1 1 86 86 ARG HG2 H 1 1.479 0.00 . . . . . . A 179 ARG HG2 . 30627 1 901 . 1 1 86 86 ARG HG3 H 1 1.408 0.01 . . . . . . A 179 ARG HG3 . 30627 1 902 . 1 1 86 86 ARG HD2 H 1 3.213 0.00 . . . . . . A 179 ARG HD2 . 30627 1 903 . 1 1 86 86 ARG C C 13 174.515 0.00 . . . . . . A 179 ARG C . 30627 1 904 . 1 1 86 86 ARG CA C 13 53.291 0.04 . . . . . . A 179 ARG CA . 30627 1 905 . 1 1 86 86 ARG CB C 13 32.400 0.08 . . . . . . A 179 ARG CB . 30627 1 906 . 1 1 86 86 ARG CG C 13 26.320 0.04 . . . . . . A 179 ARG CG . 30627 1 907 . 1 1 86 86 ARG CD C 13 42.895 0.05 . . . . . . A 179 ARG CD . 30627 1 908 . 1 1 86 86 ARG N N 15 130.722 0.03 . . . . . . A 179 ARG N . 30627 1 909 . 1 1 87 87 LEU H H 1 9.124 0.00 . . . . . . A 180 LEU H . 30627 1 910 . 1 1 87 87 LEU HA H 1 5.083 0.01 . . . . . . A 180 LEU HA . 30627 1 911 . 1 1 87 87 LEU HB2 H 1 1.318 0.01 . . . . . . A 180 LEU HB2 . 30627 1 912 . 1 1 87 87 LEU HB3 H 1 1.788 0.01 . . . . . . A 180 LEU HB3 . 30627 1 913 . 1 1 87 87 LEU HG H 1 1.486 0.01 . . . . . . A 180 LEU HG . 30627 1 914 . 1 1 87 87 LEU HD11 H 1 0.913 0.00 . . . . . . A 180 LEU HD11 . 30627 1 915 . 1 1 87 87 LEU HD12 H 1 0.913 0.00 . . . . . . A 180 LEU HD12 . 30627 1 916 . 1 1 87 87 LEU HD13 H 1 0.913 0.00 . . . . . . A 180 LEU HD13 . 30627 1 917 . 1 1 87 87 LEU HD21 H 1 0.614 0.00 . . . . . . A 180 LEU HD21 . 30627 1 918 . 1 1 87 87 LEU HD22 H 1 0.614 0.00 . . . . . . A 180 LEU HD22 . 30627 1 919 . 1 1 87 87 LEU HD23 H 1 0.614 0.00 . . . . . . A 180 LEU HD23 . 30627 1 920 . 1 1 87 87 LEU C C 13 177.943 0.00 . . . . . . A 180 LEU C . 30627 1 921 . 1 1 87 87 LEU CA C 13 53.668 0.04 . . . . . . A 180 LEU CA . 30627 1 922 . 1 1 87 87 LEU CB C 13 41.734 0.07 . . . . . . A 180 LEU CB . 30627 1 923 . 1 1 87 87 LEU CG C 13 27.450 0.10 . . . . . . A 180 LEU CG . 30627 1 924 . 1 1 87 87 LEU CD1 C 13 25.998 0.06 . . . . . . A 180 LEU CD1 . 30627 1 925 . 1 1 87 87 LEU CD2 C 13 23.580 0.11 . . . . . . A 180 LEU CD2 . 30627 1 926 . 1 1 87 87 LEU N N 15 125.115 0.02 . . . . . . A 180 LEU N . 30627 1 927 . 1 1 88 88 LEU H H 1 8.725 0.00 . . . . . . A 181 LEU H . 30627 1 928 . 1 1 88 88 LEU HA H 1 4.517 0.00 . . . . . . A 181 LEU HA . 30627 1 929 . 1 1 88 88 LEU HB2 H 1 1.505 0.01 . . . . . . A 181 LEU HB2 . 30627 1 930 . 1 1 88 88 LEU HB3 H 1 1.466 0.00 . . . . . . A 181 LEU HB3 . 30627 1 931 . 1 1 88 88 LEU HG H 1 1.501 0.01 . . . . . . A 181 LEU HG . 30627 1 932 . 1 1 88 88 LEU C C 13 174.418 0.00 . . . . . . A 181 LEU C . 30627 1 933 . 1 1 88 88 LEU CA C 13 52.828 0.07 . . . . . . A 181 LEU CA . 30627 1 934 . 1 1 88 88 LEU CB C 13 41.983 0.09 . . . . . . A 181 LEU CB . 30627 1 935 . 1 1 88 88 LEU CG C 13 27.557 0.09 . . . . . . A 181 LEU CG . 30627 1 936 . 1 1 88 88 LEU CD1 C 13 25.468 0.00 . . . . . . A 181 LEU CD1 . 30627 1 937 . 1 1 88 88 LEU CD2 C 13 22.928 0.00 . . . . . . A 181 LEU CD2 . 30627 1 938 . 1 1 88 88 LEU N N 15 126.822 0.03 . . . . . . A 181 LEU N . 30627 1 939 . 1 1 89 89 PRO HA H 1 4.460 0.01 . . . . . . A 182 PRO HA . 30627 1 940 . 1 1 89 89 PRO HB2 H 1 2.084 0.14 . . . . . . A 182 PRO HB2 . 30627 1 941 . 1 1 89 89 PRO HB3 H 1 2.235 0.01 . . . . . . A 182 PRO HB3 . 30627 1 942 . 1 1 89 89 PRO HG2 H 1 1.985 0.00 . . . . . . A 182 PRO HG2 . 30627 1 943 . 1 1 89 89 PRO HG3 H 1 2.038 0.00 . . . . . . A 182 PRO HG3 . 30627 1 944 . 1 1 89 89 PRO HD2 H 1 3.638 0.01 . . . . . . A 182 PRO HD2 . 30627 1 945 . 1 1 89 89 PRO HD3 H 1 3.800 0.00 . . . . . . A 182 PRO HD3 . 30627 1 946 . 1 1 89 89 PRO CA C 13 63.374 0.09 . . . . . . A 182 PRO CA . 30627 1 947 . 1 1 89 89 PRO CB C 13 31.809 0.09 . . . . . . A 182 PRO CB . 30627 1 948 . 1 1 89 89 PRO CG C 13 27.365 0.07 . . . . . . A 182 PRO CG . 30627 1 949 . 1 1 89 89 PRO CD C 13 50.454 0.05 . . . . . . A 182 PRO CD . 30627 1 950 . 1 1 90 90 HIS H H 1 7.771 0.00 . . . . . . A 183 HIS H . 30627 1 951 . 1 1 90 90 HIS HA H 1 4.453 0.00 . . . . . . A 183 HIS HA . 30627 1 952 . 1 1 90 90 HIS HB2 H 1 3.171 0.00 . . . . . . A 183 HIS HB2 . 30627 1 953 . 1 1 90 90 HIS CA C 13 57.168 0.00 . . . . . . A 183 HIS CA . 30627 1 954 . 1 1 90 90 HIS CB C 13 30.817 0.00 . . . . . . A 183 HIS CB . 30627 1 955 . 1 1 90 90 HIS N N 15 123.142 0.02 . . . . . . A 183 HIS N . 30627 1 stop_ save_