data_34811 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34811 _Entry.Title ; BRICHOS monomer ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-04-26 _Entry.Accession_date 2023-04-26 _Entry.Last_release_date 2023-11-09 _Entry.Original_release_date 2023-11-09 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 D. Ghosh D. . . . 34811 2 F. Torres F. . . . 34811 3 P. Guentert P. . . . 34811 4 R. Riek R. . . . 34811 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID CHAPERONE . 34811 PROTEIN . 34811 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34811 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 341 34811 '1H chemical shifts' 730 34811 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 . . 2024-06-20 . original BMRB . 34811 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 8OVI 'BMRB Entry Tracking System' 34811 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34811 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; The inhibitory action of the chaperone BRICHOS against the alpha-Synuclein secondary nucleation pathway at near-atomic resolution ; _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 D. Ghosh D. . . . 34811 1 2 F. Torres F. . . . 34811 1 3 P. Guentert P. . . . 34811 1 4 R. Riek R. . . . 34811 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34811 _Assembly.ID 1 _Assembly.Name 'Pulmonary surfactant-associated protein C (Fragment)' _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 unit_1 1 $entity_1 A A yes . . . . . . 34811 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 37 37 SG . 1 . 1 CYS 65 65 SG . . . 120 CYS SG . . . 148 CYS SG 34811 1 2 disulfide single . 1 . 1 CYS 38 38 SG . 1 . 1 CYS 106 106 SG . . . 121 CYS SG . . . 189 CYS SG 34811 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34811 _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 ; GSEHLVTTATFSIGSTGLVV YDYQQLLIAYIPAPGTCCYI MKIAPESIPSLEALTQKVHN FQMECSLQAKPAVPTSKLGQ AEGRDAGSAPSGGDPAFLGM AVSTLCGEVPLYYI ; _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 114 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11962.666 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 84 GLY . 34811 1 2 85 SER . 34811 1 3 86 GLU . 34811 1 4 87 HIS . 34811 1 5 88 LEU . 34811 1 6 89 VAL . 34811 1 7 90 THR . 34811 1 8 91 THR . 34811 1 9 92 ALA . 34811 1 10 93 THR . 34811 1 11 94 PHE . 34811 1 12 95 SER . 34811 1 13 96 ILE . 34811 1 14 97 GLY . 34811 1 15 98 SER . 34811 1 16 99 THR . 34811 1 17 100 GLY . 34811 1 18 101 LEU . 34811 1 19 102 VAL . 34811 1 20 103 VAL . 34811 1 21 104 TYR . 34811 1 22 105 ASP . 34811 1 23 106 TYR . 34811 1 24 107 GLN . 34811 1 25 108 GLN . 34811 1 26 109 LEU . 34811 1 27 110 LEU . 34811 1 28 111 ILE . 34811 1 29 112 ALA . 34811 1 30 113 TYR . 34811 1 31 114 ILE . 34811 1 32 115 PRO . 34811 1 33 116 ALA . 34811 1 34 117 PRO . 34811 1 35 118 GLY . 34811 1 36 119 THR . 34811 1 37 120 CYS . 34811 1 38 121 CYS . 34811 1 39 122 TYR . 34811 1 40 123 ILE . 34811 1 41 124 MET . 34811 1 42 125 LYS . 34811 1 43 126 ILE . 34811 1 44 127 ALA . 34811 1 45 128 PRO . 34811 1 46 129 GLU . 34811 1 47 130 SER . 34811 1 48 131 ILE . 34811 1 49 132 PRO . 34811 1 50 133 SER . 34811 1 51 134 LEU . 34811 1 52 135 GLU . 34811 1 53 136 ALA . 34811 1 54 137 LEU . 34811 1 55 138 THR . 34811 1 56 139 GLN . 34811 1 57 140 LYS . 34811 1 58 141 VAL . 34811 1 59 142 HIS . 34811 1 60 143 ASN . 34811 1 61 144 PHE . 34811 1 62 145 GLN . 34811 1 63 146 MET . 34811 1 64 147 GLU . 34811 1 65 148 CYS . 34811 1 66 149 SER . 34811 1 67 150 LEU . 34811 1 68 151 GLN . 34811 1 69 152 ALA . 34811 1 70 153 LYS . 34811 1 71 154 PRO . 34811 1 72 155 ALA . 34811 1 73 156 VAL . 34811 1 74 157 PRO . 34811 1 75 158 THR . 34811 1 76 159 SER . 34811 1 77 160 LYS . 34811 1 78 161 LEU . 34811 1 79 162 GLY . 34811 1 80 163 GLN . 34811 1 81 164 ALA . 34811 1 82 165 GLU . 34811 1 83 166 GLY . 34811 1 84 167 ARG . 34811 1 85 168 ASP . 34811 1 86 169 ALA . 34811 1 87 170 GLY . 34811 1 88 171 SER . 34811 1 89 172 ALA . 34811 1 90 173 PRO . 34811 1 91 174 SER . 34811 1 92 175 GLY . 34811 1 93 176 GLY . 34811 1 94 177 ASP . 34811 1 95 178 PRO . 34811 1 96 179 ALA . 34811 1 97 180 PHE . 34811 1 98 181 LEU . 34811 1 99 182 GLY . 34811 1 100 183 MET . 34811 1 101 184 ALA . 34811 1 102 185 VAL . 34811 1 103 186 SER . 34811 1 104 187 THR . 34811 1 105 188 LEU . 34811 1 106 189 CYS . 34811 1 107 190 GLY . 34811 1 108 191 GLU . 34811 1 109 192 VAL . 34811 1 110 193 PRO . 34811 1 111 194 LEU . 34811 1 112 195 TYR . 34811 1 113 196 TYR . 34811 1 114 197 ILE . 34811 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 . GLY 1 1 34811 1 . SER 2 2 34811 1 . GLU 3 3 34811 1 . HIS 4 4 34811 1 . LEU 5 5 34811 1 . VAL 6 6 34811 1 . THR 7 7 34811 1 . THR 8 8 34811 1 . ALA 9 9 34811 1 . THR 10 10 34811 1 . PHE 11 11 34811 1 . SER 12 12 34811 1 . ILE 13 13 34811 1 . GLY 14 14 34811 1 . SER 15 15 34811 1 . THR 16 16 34811 1 . GLY 17 17 34811 1 . LEU 18 18 34811 1 . VAL 19 19 34811 1 . VAL 20 20 34811 1 . TYR 21 21 34811 1 . ASP 22 22 34811 1 . TYR 23 23 34811 1 . GLN 24 24 34811 1 . GLN 25 25 34811 1 . LEU 26 26 34811 1 . LEU 27 27 34811 1 . ILE 28 28 34811 1 . ALA 29 29 34811 1 . TYR 30 30 34811 1 . ILE 31 31 34811 1 . PRO 32 32 34811 1 . ALA 33 33 34811 1 . PRO 34 34 34811 1 . GLY 35 35 34811 1 . THR 36 36 34811 1 . CYS 37 37 34811 1 . CYS 38 38 34811 1 . TYR 39 39 34811 1 . ILE 40 40 34811 1 . MET 41 41 34811 1 . LYS 42 42 34811 1 . ILE 43 43 34811 1 . ALA 44 44 34811 1 . PRO 45 45 34811 1 . GLU 46 46 34811 1 . SER 47 47 34811 1 . ILE 48 48 34811 1 . PRO 49 49 34811 1 . SER 50 50 34811 1 . LEU 51 51 34811 1 . GLU 52 52 34811 1 . ALA 53 53 34811 1 . LEU 54 54 34811 1 . THR 55 55 34811 1 . GLN 56 56 34811 1 . LYS 57 57 34811 1 . VAL 58 58 34811 1 . HIS 59 59 34811 1 . ASN 60 60 34811 1 . PHE 61 61 34811 1 . GLN 62 62 34811 1 . MET 63 63 34811 1 . GLU 64 64 34811 1 . CYS 65 65 34811 1 . SER 66 66 34811 1 . LEU 67 67 34811 1 . GLN 68 68 34811 1 . ALA 69 69 34811 1 . LYS 70 70 34811 1 . PRO 71 71 34811 1 . ALA 72 72 34811 1 . VAL 73 73 34811 1 . PRO 74 74 34811 1 . THR 75 75 34811 1 . SER 76 76 34811 1 . LYS 77 77 34811 1 . LEU 78 78 34811 1 . GLY 79 79 34811 1 . GLN 80 80 34811 1 . ALA 81 81 34811 1 . GLU 82 82 34811 1 . GLY 83 83 34811 1 . ARG 84 84 34811 1 . ASP 85 85 34811 1 . ALA 86 86 34811 1 . GLY 87 87 34811 1 . SER 88 88 34811 1 . ALA 89 89 34811 1 . PRO 90 90 34811 1 . SER 91 91 34811 1 . GLY 92 92 34811 1 . GLY 93 93 34811 1 . ASP 94 94 34811 1 . PRO 95 95 34811 1 . ALA 96 96 34811 1 . PHE 97 97 34811 1 . LEU 98 98 34811 1 . GLY 99 99 34811 1 . MET 100 100 34811 1 . ALA 101 101 34811 1 . VAL 102 102 34811 1 . SER 103 103 34811 1 . THR 104 104 34811 1 . LEU 105 105 34811 1 . CYS 106 106 34811 1 . GLY 107 107 34811 1 . GLU 108 108 34811 1 . VAL 109 109 34811 1 . PRO 110 110 34811 1 . LEU 111 111 34811 1 . TYR 112 112 34811 1 . TYR 113 113 34811 1 . ILE 114 114 34811 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 34811 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . SFTPC . 34811 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 34811 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 34811 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34811 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM [U-13C; U-15N] BRICHOS protein, 25 mM sodium phosphate, 25 mM sodium chloride, 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 'BRICHOS protein' '[U-13C; U-15N]' . . 1 $entity_1 . . 1 . . mM . . . . 34811 1 2 'sodium phosphate' none . . . . . . 25 . . mM . . . . 34811 1 3 'sodium chloride' none . . . . . . 25 . . mM . . . . 34811 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 34811 _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' 50 . mM 34811 1 pH 6.8 . pH 34811 1 pressure 1 . atm 34811 1 temperature 298 . K 34811 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34811 _Software.ID 1 _Software.Type . _Software.Name CYANA _Software.Version 3.98.15 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'P. Guentert' . . 34811 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34811 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34811 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _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 34811 _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 . 700 . . . 34811 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 34811 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 NOESY no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34811 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 34811 _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 0.251449530 . . . . . 34811 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34811 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 34811 _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 NOESY . . . 34811 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 GLY H H 1 8.115 0.020 . 1 . . . . A 84 GLY H1 . 34811 1 2 . 1 . 1 1 1 GLY HA2 H 1 3.908 0.020 . 2 . . . . A 84 GLY HA2 . 34811 1 3 . 1 . 1 1 1 GLY HA3 H 1 3.885 0.020 . 2 . . . . A 84 GLY HA3 . 34811 1 4 . 1 . 1 1 1 GLY CA C 13 42.911 0.400 . 1 . . . . A 84 GLY CA . 34811 1 5 . 1 . 1 2 2 SER HA H 1 4.245 0.020 . 1 . . . . A 85 SER HA . 34811 1 6 . 1 . 1 2 2 SER HB2 H 1 3.836 0.020 . 2 . . . . A 85 SER HB2 . 34811 1 7 . 1 . 1 2 2 SER HB3 H 1 4.240 0.020 . 2 . . . . A 85 SER HB3 . 34811 1 8 . 1 . 1 2 2 SER HG H 1 2.197 0.020 . 1 . . . . A 85 SER HG . 34811 1 9 . 1 . 1 2 2 SER CA C 13 61.383 0.400 . 1 . . . . A 85 SER CA . 34811 1 10 . 1 . 1 2 2 SER CB C 13 61.319 0.400 . 1 . . . . A 85 SER CB . 34811 1 11 . 1 . 1 3 3 GLU H H 1 8.358 0.020 . 1 . . . . A 86 GLU H . 34811 1 12 . 1 . 1 3 3 GLU HA H 1 4.247 0.020 . 1 . . . . A 86 GLU HA . 34811 1 13 . 1 . 1 3 3 GLU HB2 H 1 1.871 0.020 . 2 . . . . A 86 GLU HB2 . 34811 1 14 . 1 . 1 3 3 GLU HB3 H 1 1.871 0.020 . 2 . . . . A 86 GLU HB3 . 34811 1 15 . 1 . 1 3 3 GLU HG2 H 1 1.869 0.020 . 2 . . . . A 86 GLU HG2 . 34811 1 16 . 1 . 1 3 3 GLU HG3 H 1 1.937 0.020 . 2 . . . . A 86 GLU HG3 . 34811 1 17 . 1 . 1 3 3 GLU CA C 13 54.214 0.400 . 1 . . . . A 86 GLU CA . 34811 1 18 . 1 . 1 3 3 GLU CB C 13 26.917 0.400 . 1 . . . . A 86 GLU CB . 34811 1 19 . 1 . 1 3 3 GLU CG C 13 35.890 0.400 . 1 . . . . A 86 GLU CG . 34811 1 20 . 1 . 1 4 4 HIS H H 1 8.369 0.020 . 1 . . . . A 87 HIS H . 34811 1 21 . 1 . 1 4 4 HIS HA H 1 4.704 0.020 . 1 . . . . A 87 HIS HA . 34811 1 22 . 1 . 1 4 4 HIS HB2 H 1 1.899 0.020 . 2 . . . . A 87 HIS HB2 . 34811 1 23 . 1 . 1 4 4 HIS HB3 H 1 2.234 0.020 . 2 . . . . A 87 HIS HB3 . 34811 1 24 . 1 . 1 4 4 HIS HD1 H 1 8.371 0.020 . 1 . . . . A 87 HIS HD1 . 34811 1 25 . 1 . 1 4 4 HIS HD2 H 1 7.895 0.020 . 1 . . . . A 87 HIS HD2 . 34811 1 26 . 1 . 1 4 4 HIS HE1 H 1 7.862 0.020 . 1 . . . . A 87 HIS HE1 . 34811 1 27 . 1 . 1 4 4 HIS CA C 13 54.333 0.400 . 1 . . . . A 87 HIS CA . 34811 1 28 . 1 . 1 4 4 HIS CB C 13 26.745 0.400 . 1 . . . . A 87 HIS CB . 34811 1 29 . 1 . 1 4 4 HIS CD2 C 13 132.741 0.400 . 1 . . . . A 87 HIS CD2 . 34811 1 30 . 1 . 1 4 4 HIS CE1 C 13 135.090 0.400 . 1 . . . . A 87 HIS CE1 . 34811 1 31 . 1 . 1 5 5 LEU H H 1 8.686 0.020 . 1 . . . . A 88 LEU H . 34811 1 32 . 1 . 1 5 5 LEU HA H 1 4.072 0.020 . 1 . . . . A 88 LEU HA . 34811 1 33 . 1 . 1 5 5 LEU HB2 H 1 1.539 0.020 . 2 . . . . A 88 LEU HB2 . 34811 1 34 . 1 . 1 5 5 LEU HB3 H 1 1.414 0.020 . 2 . . . . A 88 LEU HB3 . 34811 1 35 . 1 . 1 5 5 LEU HD11 H 1 0.652 0.020 . 2 . . . . A 88 LEU HD11 . 34811 1 36 . 1 . 1 5 5 LEU HD12 H 1 0.652 0.020 . 2 . . . . A 88 LEU HD12 . 34811 1 37 . 1 . 1 5 5 LEU HD13 H 1 0.652 0.020 . 2 . . . . A 88 LEU HD13 . 34811 1 38 . 1 . 1 5 5 LEU CA C 13 55.086 0.400 . 1 . . . . A 88 LEU CA . 34811 1 39 . 1 . 1 5 5 LEU CB C 13 38.287 0.400 . 1 . . . . A 88 LEU CB . 34811 1 40 . 1 . 1 5 5 LEU CD1 C 13 20.450 0.400 . 1 . . . . A 88 LEU CD1 . 34811 1 41 . 1 . 1 6 6 VAL H H 1 8.089 0.020 . 1 . . . . A 89 VAL H . 34811 1 42 . 1 . 1 6 6 VAL HA H 1 4.155 0.020 . 1 . . . . A 89 VAL HA . 34811 1 43 . 1 . 1 6 6 VAL HB H 1 2.051 0.020 . 1 . . . . A 89 VAL HB . 34811 1 44 . 1 . 1 6 6 VAL HG11 H 1 0.908 0.020 . 2 . . . . A 89 VAL HG11 . 34811 1 45 . 1 . 1 6 6 VAL HG12 H 1 0.908 0.020 . 2 . . . . A 89 VAL HG12 . 34811 1 46 . 1 . 1 6 6 VAL HG13 H 1 0.908 0.020 . 2 . . . . A 89 VAL HG13 . 34811 1 47 . 1 . 1 6 6 VAL HG21 H 1 0.896 0.020 . 2 . . . . A 89 VAL HG21 . 34811 1 48 . 1 . 1 6 6 VAL HG22 H 1 0.896 0.020 . 2 . . . . A 89 VAL HG22 . 34811 1 49 . 1 . 1 6 6 VAL HG23 H 1 0.896 0.020 . 2 . . . . A 89 VAL HG23 . 34811 1 50 . 1 . 1 6 6 VAL CA C 13 59.223 0.400 . 1 . . . . A 89 VAL CA . 34811 1 51 . 1 . 1 6 6 VAL CB C 13 30.000 0.400 . 1 . . . . A 89 VAL CB . 34811 1 52 . 1 . 1 6 6 VAL CG1 C 13 17.887 0.400 . 1 . . . . A 89 VAL CG1 . 34811 1 53 . 1 . 1 6 6 VAL CG2 C 13 18.554 0.400 . 1 . . . . A 89 VAL CG2 . 34811 1 54 . 1 . 1 7 7 THR H H 1 7.963 0.020 . 1 . . . . A 90 THR H . 34811 1 55 . 1 . 1 7 7 THR HA H 1 4.453 0.020 . 1 . . . . A 90 THR HA . 34811 1 56 . 1 . 1 7 7 THR HB H 1 4.269 0.020 . 1 . . . . A 90 THR HB . 34811 1 57 . 1 . 1 7 7 THR HG21 H 1 0.975 0.020 . 1 . . . . A 90 THR HG21 . 34811 1 58 . 1 . 1 7 7 THR HG22 H 1 0.975 0.020 . 1 . . . . A 90 THR HG22 . 34811 1 59 . 1 . 1 7 7 THR HG23 H 1 0.975 0.020 . 1 . . . . A 90 THR HG23 . 34811 1 60 . 1 . 1 7 7 THR CA C 13 56.074 0.400 . 1 . . . . A 90 THR CA . 34811 1 61 . 1 . 1 7 7 THR CB C 13 66.551 0.400 . 1 . . . . A 90 THR CB . 34811 1 62 . 1 . 1 7 7 THR CG2 C 13 18.804 0.400 . 1 . . . . A 90 THR CG2 . 34811 1 63 . 1 . 1 8 8 THR H H 1 7.803 0.020 . 1 . . . . A 91 THR H . 34811 1 64 . 1 . 1 8 8 THR HA H 1 3.987 0.020 . 1 . . . . A 91 THR HA . 34811 1 65 . 1 . 1 8 8 THR HB H 1 4.452 0.020 . 1 . . . . A 91 THR HB . 34811 1 66 . 1 . 1 8 8 THR HG21 H 1 1.189 0.020 . 1 . . . . A 91 THR HG21 . 34811 1 67 . 1 . 1 8 8 THR HG22 H 1 1.189 0.020 . 1 . . . . A 91 THR HG22 . 34811 1 68 . 1 . 1 8 8 THR HG23 H 1 1.189 0.020 . 1 . . . . A 91 THR HG23 . 34811 1 69 . 1 . 1 8 8 THR CA C 13 60.831 0.400 . 1 . . . . A 91 THR CA . 34811 1 70 . 1 . 1 8 8 THR CB C 13 67.597 0.400 . 1 . . . . A 91 THR CB . 34811 1 71 . 1 . 1 8 8 THR CG2 C 13 18.397 0.400 . 1 . . . . A 91 THR CG2 . 34811 1 72 . 1 . 1 9 9 ALA H H 1 7.726 0.020 . 1 . . . . A 92 ALA H . 34811 1 73 . 1 . 1 9 9 ALA HA H 1 4.283 0.020 . 1 . . . . A 92 ALA HA . 34811 1 74 . 1 . 1 9 9 ALA HB1 H 1 1.369 0.020 . 1 . . . . A 92 ALA HB1 . 34811 1 75 . 1 . 1 9 9 ALA HB2 H 1 1.369 0.020 . 1 . . . . A 92 ALA HB2 . 34811 1 76 . 1 . 1 9 9 ALA HB3 H 1 1.369 0.020 . 1 . . . . A 92 ALA HB3 . 34811 1 77 . 1 . 1 9 9 ALA CA C 13 49.278 0.400 . 1 . . . . A 92 ALA CA . 34811 1 78 . 1 . 1 9 9 ALA CB C 13 16.012 0.400 . 1 . . . . A 92 ALA CB . 34811 1 79 . 1 . 1 10 10 THR H H 1 7.964 0.020 . 1 . . . . A 93 THR H . 34811 1 80 . 1 . 1 10 10 THR HA H 1 3.866 0.020 . 1 . . . . A 93 THR HA . 34811 1 81 . 1 . 1 10 10 THR HB H 1 4.183 0.020 . 1 . . . . A 93 THR HB . 34811 1 82 . 1 . 1 10 10 THR HG21 H 1 0.744 0.020 . 1 . . . . A 93 THR HG21 . 34811 1 83 . 1 . 1 10 10 THR HG22 H 1 0.744 0.020 . 1 . . . . A 93 THR HG22 . 34811 1 84 . 1 . 1 10 10 THR HG23 H 1 0.744 0.020 . 1 . . . . A 93 THR HG23 . 34811 1 85 . 1 . 1 10 10 THR CA C 13 59.726 0.400 . 1 . . . . A 93 THR CA . 34811 1 86 . 1 . 1 10 10 THR CB C 13 66.231 0.400 . 1 . . . . A 93 THR CB . 34811 1 87 . 1 . 1 10 10 THR CG2 C 13 18.508 0.400 . 1 . . . . A 93 THR CG2 . 34811 1 88 . 1 . 1 11 11 PHE H H 1 8.841 0.020 . 1 . . . . A 94 PHE H . 34811 1 89 . 1 . 1 11 11 PHE HA H 1 5.084 0.020 . 1 . . . . A 94 PHE HA . 34811 1 90 . 1 . 1 11 11 PHE HB2 H 1 3.022 0.020 . 2 . . . . A 94 PHE HB2 . 34811 1 91 . 1 . 1 11 11 PHE HD1 H 1 6.989 0.020 . 3 . . . . A 94 PHE HD1 . 34811 1 92 . 1 . 1 11 11 PHE HD2 H 1 6.989 0.020 . 3 . . . . A 94 PHE HD2 . 34811 1 93 . 1 . 1 11 11 PHE HE1 H 1 6.649 0.020 . 3 . . . . A 94 PHE HE1 . 34811 1 94 . 1 . 1 11 11 PHE HE2 H 1 6.649 0.020 . 3 . . . . A 94 PHE HE2 . 34811 1 95 . 1 . 1 11 11 PHE HZ H 1 7.134 0.020 . 1 . . . . A 94 PHE HZ . 34811 1 96 . 1 . 1 11 11 PHE CD1 C 13 63.410 0.400 . 1 . . . . A 94 PHE CD1 . 34811 1 97 . 1 . 1 11 11 PHE CE1 C 13 128.558 0.400 . 1 . . . . A 94 PHE CE1 . 34811 1 98 . 1 . 1 11 11 PHE CZ C 13 127.789 0.400 . 1 . . . . A 94 PHE CZ . 34811 1 99 . 1 . 1 12 12 SER H H 1 9.745 0.020 . 1 . . . . A 95 SER H . 34811 1 100 . 1 . 1 12 12 SER HA H 1 5.097 0.020 . 1 . . . . A 95 SER HA . 34811 1 101 . 1 . 1 12 12 SER CA C 13 50.045 0.400 . 1 . . . . A 95 SER CA . 34811 1 102 . 1 . 1 13 13 ILE H H 1 8.090 0.020 . 1 . . . . A 96 ILE H . 34811 1 103 . 1 . 1 13 13 ILE HA H 1 3.924 0.020 . 1 . . . . A 96 ILE HA . 34811 1 104 . 1 . 1 13 13 ILE HB H 1 1.630 0.020 . 1 . . . . A 96 ILE HB . 34811 1 105 . 1 . 1 13 13 ILE HG12 H 1 1.372 0.020 . 2 . . . . A 96 ILE HG12 . 34811 1 106 . 1 . 1 13 13 ILE HG13 H 1 0.924 0.020 . 2 . . . . A 96 ILE HG13 . 34811 1 107 . 1 . 1 13 13 ILE HG21 H 1 0.728 0.020 . 1 . . . . A 96 ILE HG21 . 34811 1 108 . 1 . 1 13 13 ILE HG22 H 1 0.728 0.020 . 1 . . . . A 96 ILE HG22 . 34811 1 109 . 1 . 1 13 13 ILE HG23 H 1 0.728 0.020 . 1 . . . . A 96 ILE HG23 . 34811 1 110 . 1 . 1 13 13 ILE HD11 H 1 0.426 0.020 . 1 . . . . A 96 ILE HD11 . 34811 1 111 . 1 . 1 13 13 ILE HD12 H 1 0.426 0.020 . 1 . . . . A 96 ILE HD12 . 34811 1 112 . 1 . 1 13 13 ILE HD13 H 1 0.426 0.020 . 1 . . . . A 96 ILE HD13 . 34811 1 113 . 1 . 1 13 13 ILE CA C 13 59.342 0.400 . 1 . . . . A 96 ILE CA . 34811 1 114 . 1 . 1 13 13 ILE CB C 13 35.146 0.400 . 1 . . . . A 96 ILE CB . 34811 1 115 . 1 . 1 13 13 ILE CG1 C 13 24.678 0.400 . 1 . . . . A 96 ILE CG1 . 34811 1 116 . 1 . 1 13 13 ILE CG2 C 13 14.730 0.400 . 1 . . . . A 96 ILE CG2 . 34811 1 117 . 1 . 1 13 13 ILE CD1 C 13 12.640 0.400 . 1 . . . . A 96 ILE CD1 . 34811 1 118 . 1 . 1 14 14 GLY H H 1 8.149 0.020 . 1 . . . . A 97 GLY H . 34811 1 119 . 1 . 1 14 14 GLY HA2 H 1 3.825 0.020 . 2 . . . . A 97 GLY HA2 . 34811 1 120 . 1 . 1 14 14 GLY HA3 H 1 3.899 0.020 . 2 . . . . A 97 GLY HA3 . 34811 1 121 . 1 . 1 14 14 GLY CA C 13 44.483 0.400 . 1 . . . . A 97 GLY CA . 34811 1 122 . 1 . 1 15 15 SER H H 1 7.387 0.020 . 1 . . . . A 98 SER H . 34811 1 123 . 1 . 1 15 15 SER HA H 1 4.457 0.020 . 1 . . . . A 98 SER HA . 34811 1 124 . 1 . 1 15 15 SER CA C 13 60.548 0.400 . 1 . . . . A 98 SER CA . 34811 1 125 . 1 . 1 16 16 THR H H 1 8.067 0.020 . 1 . . . . A 99 THR H . 34811 1 126 . 1 . 1 16 16 THR HA H 1 3.943 0.020 . 1 . . . . A 99 THR HA . 34811 1 127 . 1 . 1 17 17 GLY H H 1 7.630 0.020 . 1 . . . . A 100 GLY H . 34811 1 128 . 1 . 1 17 17 GLY HA2 H 1 3.789 0.020 . 2 . . . . A 100 GLY HA2 . 34811 1 129 . 1 . 1 17 17 GLY HA3 H 1 3.936 0.020 . 2 . . . . A 100 GLY HA3 . 34811 1 130 . 1 . 1 17 17 GLY CA C 13 42.474 0.400 . 1 . . . . A 100 GLY CA . 34811 1 131 . 1 . 1 18 18 LEU H H 1 8.086 0.020 . 1 . . . . A 101 LEU H . 34811 1 132 . 1 . 1 18 18 LEU HA H 1 5.503 0.020 . 1 . . . . A 101 LEU HA . 34811 1 133 . 1 . 1 18 18 LEU HB2 H 1 1.590 0.020 . 2 . . . . A 101 LEU HB2 . 34811 1 134 . 1 . 1 18 18 LEU HB3 H 1 1.677 0.020 . 2 . . . . A 101 LEU HB3 . 34811 1 135 . 1 . 1 18 18 LEU HG H 1 0.840 0.020 . 1 . . . . A 101 LEU HG . 34811 1 136 . 1 . 1 18 18 LEU HD11 H 1 0.801 0.020 . 2 . . . . A 101 LEU HD11 . 34811 1 137 . 1 . 1 18 18 LEU HD12 H 1 0.801 0.020 . 2 . . . . A 101 LEU HD12 . 34811 1 138 . 1 . 1 18 18 LEU HD13 H 1 0.801 0.020 . 2 . . . . A 101 LEU HD13 . 34811 1 139 . 1 . 1 18 18 LEU CA C 13 50.848 0.400 . 1 . . . . A 101 LEU CA . 34811 1 140 . 1 . 1 18 18 LEU CB C 13 44.077 0.400 . 1 . . . . A 101 LEU CB . 34811 1 141 . 1 . 1 18 18 LEU CG C 13 23.108 0.400 . 1 . . . . A 101 LEU CG . 34811 1 142 . 1 . 1 18 18 LEU CD1 C 13 18.541 0.400 . 1 . . . . A 101 LEU CD1 . 34811 1 143 . 1 . 1 19 19 VAL H H 1 8.948 0.020 . 1 . . . . A 102 VAL H . 34811 1 144 . 1 . 1 19 19 VAL HA H 1 5.183 0.020 . 1 . . . . A 102 VAL HA . 34811 1 145 . 1 . 1 19 19 VAL HB H 1 2.086 0.020 . 1 . . . . A 102 VAL HB . 34811 1 146 . 1 . 1 19 19 VAL HG11 H 1 0.817 0.020 . 2 . . . . A 102 VAL HG11 . 34811 1 147 . 1 . 1 19 19 VAL HG12 H 1 0.817 0.020 . 2 . . . . A 102 VAL HG12 . 34811 1 148 . 1 . 1 19 19 VAL HG13 H 1 0.817 0.020 . 2 . . . . A 102 VAL HG13 . 34811 1 149 . 1 . 1 19 19 VAL HG21 H 1 1.065 0.020 . 2 . . . . A 102 VAL HG21 . 34811 1 150 . 1 . 1 19 19 VAL HG22 H 1 1.065 0.020 . 2 . . . . A 102 VAL HG22 . 34811 1 151 . 1 . 1 19 19 VAL HG23 H 1 1.065 0.020 . 2 . . . . A 102 VAL HG23 . 34811 1 152 . 1 . 1 19 19 VAL CA C 13 58.286 0.400 . 1 . . . . A 102 VAL CA . 34811 1 153 . 1 . 1 19 19 VAL CB C 13 32.497 0.400 . 1 . . . . A 102 VAL CB . 34811 1 154 . 1 . 1 19 19 VAL CG1 C 13 19.485 0.400 . 1 . . . . A 102 VAL CG1 . 34811 1 155 . 1 . 1 19 19 VAL CG2 C 13 19.444 0.400 . 1 . . . . A 102 VAL CG2 . 34811 1 156 . 1 . 1 20 20 VAL H H 1 9.313 0.020 . 1 . . . . A 103 VAL H . 34811 1 157 . 1 . 1 20 20 VAL HA H 1 5.104 0.020 . 1 . . . . A 103 VAL HA . 34811 1 158 . 1 . 1 20 20 VAL HB H 1 1.941 0.020 . 1 . . . . A 103 VAL HB . 34811 1 159 . 1 . 1 20 20 VAL HG11 H 1 0.815 0.020 . 2 . . . . A 103 VAL HG11 . 34811 1 160 . 1 . 1 20 20 VAL HG12 H 1 0.815 0.020 . 2 . . . . A 103 VAL HG12 . 34811 1 161 . 1 . 1 20 20 VAL HG13 H 1 0.815 0.020 . 2 . . . . A 103 VAL HG13 . 34811 1 162 . 1 . 1 20 20 VAL HG21 H 1 0.794 0.020 . 2 . . . . A 103 VAL HG21 . 34811 1 163 . 1 . 1 20 20 VAL HG22 H 1 0.794 0.020 . 2 . . . . A 103 VAL HG22 . 34811 1 164 . 1 . 1 20 20 VAL HG23 H 1 0.794 0.020 . 2 . . . . A 103 VAL HG23 . 34811 1 165 . 1 . 1 20 20 VAL CA C 13 57.712 0.400 . 1 . . . . A 103 VAL CA . 34811 1 166 . 1 . 1 20 20 VAL CB C 13 32.006 0.400 . 1 . . . . A 103 VAL CB . 34811 1 167 . 1 . 1 20 20 VAL CG1 C 13 17.874 0.400 . 1 . . . . A 103 VAL CG1 . 34811 1 168 . 1 . 1 20 20 VAL CG2 C 13 18.921 0.400 . 1 . . . . A 103 VAL CG2 . 34811 1 169 . 1 . 1 21 21 TYR H H 1 9.745 0.020 . 1 . . . . A 104 TYR H . 34811 1 170 . 1 . 1 21 21 TYR HA H 1 5.066 0.020 . 1 . . . . A 104 TYR HA . 34811 1 171 . 1 . 1 21 21 TYR HB2 H 1 3.024 0.020 . 2 . . . . A 104 TYR HB2 . 34811 1 172 . 1 . 1 21 21 TYR HD1 H 1 6.832 0.020 . 3 . . . . A 104 TYR HD1 . 34811 1 173 . 1 . 1 21 21 TYR HD2 H 1 6.832 0.020 . 3 . . . . A 104 TYR HD2 . 34811 1 174 . 1 . 1 21 21 TYR HE1 H 1 6.532 0.020 . 3 . . . . A 104 TYR HE1 . 34811 1 175 . 1 . 1 21 21 TYR HE2 H 1 6.532 0.020 . 3 . . . . A 104 TYR HE2 . 34811 1 176 . 1 . 1 21 21 TYR CA C 13 50.010 0.400 . 1 . . . . A 104 TYR CA . 34811 1 177 . 1 . 1 21 21 TYR CB C 13 37.044 0.400 . 1 . . . . A 104 TYR CB . 34811 1 178 . 1 . 1 21 21 TYR CD1 C 13 129.325 0.400 . 1 . . . . A 104 TYR CD1 . 34811 1 179 . 1 . 1 21 21 TYR CE1 C 13 115.055 0.400 . 1 . . . . A 104 TYR CE1 . 34811 1 180 . 1 . 1 22 22 ASP H H 1 8.239 0.020 . 1 . . . . A 105 ASP H . 34811 1 181 . 1 . 1 22 22 ASP HA H 1 5.083 0.020 . 1 . . . . A 105 ASP HA . 34811 1 182 . 1 . 1 22 22 ASP HB2 H 1 2.104 0.020 . 2 . . . . A 105 ASP HB2 . 34811 1 183 . 1 . 1 22 22 ASP HB3 H 1 2.947 0.020 . 2 . . . . A 105 ASP HB3 . 34811 1 184 . 1 . 1 22 22 ASP CA C 13 49.978 0.400 . 1 . . . . A 105 ASP CA . 34811 1 185 . 1 . 1 22 22 ASP CB C 13 39.334 0.400 . 1 . . . . A 105 ASP CB . 34811 1 186 . 1 . 1 23 23 TYR H H 1 8.425 0.020 . 1 . . . . A 106 TYR H . 34811 1 187 . 1 . 1 23 23 TYR HA H 1 4.143 0.020 . 1 . . . . A 106 TYR HA . 34811 1 188 . 1 . 1 23 23 TYR HB2 H 1 3.201 0.020 . 2 . . . . A 106 TYR HB2 . 34811 1 189 . 1 . 1 23 23 TYR HB3 H 1 2.840 0.020 . 2 . . . . A 106 TYR HB3 . 34811 1 190 . 1 . 1 23 23 TYR HD1 H 1 6.982 0.020 . 3 . . . . A 106 TYR HD1 . 34811 1 191 . 1 . 1 23 23 TYR HD2 H 1 6.982 0.020 . 3 . . . . A 106 TYR HD2 . 34811 1 192 . 1 . 1 23 23 TYR CA C 13 57.653 0.400 . 1 . . . . A 106 TYR CA . 34811 1 193 . 1 . 1 23 23 TYR CB C 13 35.146 0.400 . 1 . . . . A 106 TYR CB . 34811 1 194 . 1 . 1 23 23 TYR CD1 C 13 129.359 0.400 . 1 . . . . A 106 TYR CD1 . 34811 1 195 . 1 . 1 23 23 TYR CE2 C 13 114.844 0.400 . 1 . . . . A 106 TYR CE2 . 34811 1 196 . 1 . 1 24 24 GLN H H 1 8.574 0.020 . 1 . . . . A 107 GLN H . 34811 1 197 . 1 . 1 24 24 GLN HA H 1 4.324 0.020 . 1 . . . . A 107 GLN HA . 34811 1 198 . 1 . 1 24 24 GLN HB2 H 1 2.345 0.020 . 2 . . . . A 107 GLN HB2 . 34811 1 199 . 1 . 1 24 24 GLN HG2 H 1 2.463 0.020 . 2 . . . . A 107 GLN HG2 . 34811 1 200 . 1 . 1 24 24 GLN HG3 H 1 2.441 0.020 . 2 . . . . A 107 GLN HG3 . 34811 1 201 . 1 . 1 24 24 GLN HE21 H 1 6.842 0.020 . 2 . . . . A 107 GLN HE21 . 34811 1 202 . 1 . 1 24 24 GLN HE22 H 1 7.660 0.020 . 2 . . . . A 107 GLN HE22 . 34811 1 203 . 1 . 1 24 24 GLN CA C 13 55.627 0.400 . 1 . . . . A 107 GLN CA . 34811 1 204 . 1 . 1 24 24 GLN CB C 13 26.760 0.400 . 1 . . . . A 107 GLN CB . 34811 1 205 . 1 . 1 24 24 GLN CG C 13 31.526 0.400 . 1 . . . . A 107 GLN CG . 34811 1 206 . 1 . 1 25 25 GLN H H 1 7.993 0.020 . 1 . . . . A 108 GLN H . 34811 1 207 . 1 . 1 25 25 GLN HA H 1 4.140 0.020 . 1 . . . . A 108 GLN HA . 34811 1 208 . 1 . 1 25 25 GLN HB2 H 1 1.541 0.020 . 2 . . . . A 108 GLN HB2 . 34811 1 209 . 1 . 1 25 25 GLN HB3 H 1 2.110 0.020 . 2 . . . . A 108 GLN HB3 . 34811 1 210 . 1 . 1 25 25 GLN HG3 H 1 2.326 0.020 . 2 . . . . A 108 GLN HG3 . 34811 1 211 . 1 . 1 25 25 GLN HE21 H 1 6.730 0.020 . 2 . . . . A 108 GLN HE21 . 34811 1 212 . 1 . 1 25 25 GLN HE22 H 1 7.514 0.020 . 2 . . . . A 108 GLN HE22 . 34811 1 213 . 1 . 1 25 25 GLN CA C 13 51.372 0.400 . 1 . . . . A 108 GLN CA . 34811 1 214 . 1 . 1 25 25 GLN CB C 13 26.280 0.400 . 1 . . . . A 108 GLN CB . 34811 1 215 . 1 . 1 25 25 GLN CG C 13 31.032 0.400 . 1 . . . . A 108 GLN CG . 34811 1 216 . 1 . 1 26 26 LEU H H 1 7.813 0.020 . 1 . . . . A 109 LEU H . 34811 1 217 . 1 . 1 26 26 LEU HA H 1 3.702 0.020 . 1 . . . . A 109 LEU HA . 34811 1 218 . 1 . 1 26 26 LEU HB2 H 1 1.844 0.020 . 2 . . . . A 109 LEU HB2 . 34811 1 219 . 1 . 1 26 26 LEU HB3 H 1 2.054 0.020 . 2 . . . . A 109 LEU HB3 . 34811 1 220 . 1 . 1 26 26 LEU HG H 1 1.539 0.020 . 1 . . . . A 109 LEU HG . 34811 1 221 . 1 . 1 26 26 LEU HD11 H 1 0.827 0.020 . 2 . . . . A 109 LEU HD11 . 34811 1 222 . 1 . 1 26 26 LEU HD12 H 1 0.827 0.020 . 2 . . . . A 109 LEU HD12 . 34811 1 223 . 1 . 1 26 26 LEU HD13 H 1 0.827 0.020 . 2 . . . . A 109 LEU HD13 . 34811 1 224 . 1 . 1 26 26 LEU HD21 H 1 0.962 0.020 . 2 . . . . A 109 LEU HD21 . 34811 1 225 . 1 . 1 26 26 LEU HD22 H 1 0.962 0.020 . 2 . . . . A 109 LEU HD22 . 34811 1 226 . 1 . 1 26 26 LEU HD23 H 1 0.962 0.020 . 2 . . . . A 109 LEU HD23 . 34811 1 227 . 1 . 1 26 26 LEU CA C 13 52.958 0.400 . 1 . . . . A 109 LEU CA . 34811 1 228 . 1 . 1 26 26 LEU CB C 13 34.642 0.400 . 1 . . . . A 109 LEU CB . 34811 1 229 . 1 . 1 26 26 LEU CG C 13 23.631 0.400 . 1 . . . . A 109 LEU CG . 34811 1 230 . 1 . 1 26 26 LEU CD1 C 13 20.519 0.400 . 1 . . . . A 109 LEU CD1 . 34811 1 231 . 1 . 1 26 26 LEU CD2 C 13 23.108 0.400 . 1 . . . . A 109 LEU CD2 . 34811 1 232 . 1 . 1 27 27 LEU H H 1 7.978 0.020 . 1 . . . . A 110 LEU H . 34811 1 233 . 1 . 1 27 27 LEU HA H 1 5.187 0.020 . 1 . . . . A 110 LEU HA . 34811 1 234 . 1 . 1 27 27 LEU HB2 H 1 1.386 0.020 . 2 . . . . A 110 LEU HB2 . 34811 1 235 . 1 . 1 27 27 LEU HB3 H 1 1.550 0.020 . 2 . . . . A 110 LEU HB3 . 34811 1 236 . 1 . 1 27 27 LEU HG H 1 1.957 0.020 . 1 . . . . A 110 LEU HG . 34811 1 237 . 1 . 1 27 27 LEU HD11 H 1 0.854 0.020 . 2 . . . . A 110 LEU HD11 . 34811 1 238 . 1 . 1 27 27 LEU HD12 H 1 0.854 0.020 . 2 . . . . A 110 LEU HD12 . 34811 1 239 . 1 . 1 27 27 LEU HD13 H 1 0.854 0.020 . 2 . . . . A 110 LEU HD13 . 34811 1 240 . 1 . 1 27 27 LEU HD21 H 1 0.811 0.020 . 2 . . . . A 110 LEU HD21 . 34811 1 241 . 1 . 1 27 27 LEU HD22 H 1 0.811 0.020 . 2 . . . . A 110 LEU HD22 . 34811 1 242 . 1 . 1 27 27 LEU HD23 H 1 0.811 0.020 . 2 . . . . A 110 LEU HD23 . 34811 1 243 . 1 . 1 27 27 LEU CA C 13 51.348 0.400 . 1 . . . . A 110 LEU CA . 34811 1 244 . 1 . 1 27 27 LEU CB C 13 44.082 0.400 . 1 . . . . A 110 LEU CB . 34811 1 245 . 1 . 1 27 27 LEU CG C 13 29.845 0.400 . 1 . . . . A 110 LEU CG . 34811 1 246 . 1 . 1 27 27 LEU CD1 C 13 23.555 0.400 . 1 . . . . A 110 LEU CD1 . 34811 1 247 . 1 . 1 27 27 LEU CD2 C 13 12.836 0.400 . 1 . . . . A 110 LEU CD2 . 34811 1 248 . 1 . 1 28 28 ILE H H 1 8.860 0.020 . 1 . . . . A 111 ILE H . 34811 1 249 . 1 . 1 28 28 ILE HA H 1 5.077 0.020 . 1 . . . . A 111 ILE HA . 34811 1 250 . 1 . 1 28 28 ILE HB H 1 1.392 0.020 . 1 . . . . A 111 ILE HB . 34811 1 251 . 1 . 1 28 28 ILE HG12 H 1 0.510 0.020 . 2 . . . . A 111 ILE HG12 . 34811 1 252 . 1 . 1 28 28 ILE HG21 H 1 0.505 0.020 . 1 . . . . A 111 ILE HG21 . 34811 1 253 . 1 . 1 28 28 ILE HG22 H 1 0.505 0.020 . 1 . . . . A 111 ILE HG22 . 34811 1 254 . 1 . 1 28 28 ILE HG23 H 1 0.505 0.020 . 1 . . . . A 111 ILE HG23 . 34811 1 255 . 1 . 1 28 28 ILE HD11 H 1 0.511 0.020 . 1 . . . . A 111 ILE HD11 . 34811 1 256 . 1 . 1 28 28 ILE HD12 H 1 0.511 0.020 . 1 . . . . A 111 ILE HD12 . 34811 1 257 . 1 . 1 28 28 ILE HD13 H 1 0.511 0.020 . 1 . . . . A 111 ILE HD13 . 34811 1 258 . 1 . 1 28 28 ILE CA C 13 56.191 0.400 . 1 . . . . A 111 ILE CA . 34811 1 259 . 1 . 1 28 28 ILE CB C 13 38.962 0.400 . 1 . . . . A 111 ILE CB . 34811 1 260 . 1 . 1 28 28 ILE CG2 C 13 14.922 0.400 . 1 . . . . A 111 ILE CG2 . 34811 1 261 . 1 . 1 28 28 ILE CD1 C 13 12.648 0.400 . 1 . . . . A 111 ILE CD1 . 34811 1 262 . 1 . 1 29 29 ALA H H 1 9.258 0.020 . 1 . . . . A 112 ALA H . 34811 1 263 . 1 . 1 29 29 ALA HA H 1 5.761 0.020 . 1 . . . . A 112 ALA HA . 34811 1 264 . 1 . 1 29 29 ALA HB1 H 1 1.163 0.020 . 1 . . . . A 112 ALA HB1 . 34811 1 265 . 1 . 1 29 29 ALA HB2 H 1 1.163 0.020 . 1 . . . . A 112 ALA HB2 . 34811 1 266 . 1 . 1 29 29 ALA HB3 H 1 1.163 0.020 . 1 . . . . A 112 ALA HB3 . 34811 1 267 . 1 . 1 29 29 ALA CA C 13 46.678 0.400 . 1 . . . . A 112 ALA CA . 34811 1 268 . 1 . 1 29 29 ALA CB C 13 20.429 0.400 . 1 . . . . A 112 ALA CB . 34811 1 269 . 1 . 1 30 30 TYR H H 1 9.493 0.020 . 1 . . . . A 113 TYR H . 34811 1 270 . 1 . 1 30 30 TYR HA H 1 5.589 0.020 . 1 . . . . A 113 TYR HA . 34811 1 271 . 1 . 1 30 30 TYR HB2 H 1 2.802 0.020 . 2 . . . . A 113 TYR HB2 . 34811 1 272 . 1 . 1 30 30 TYR HB3 H 1 3.106 0.020 . 2 . . . . A 113 TYR HB3 . 34811 1 273 . 1 . 1 30 30 TYR HD1 H 1 7.011 0.020 . 1 . . . . A 113 TYR HD1 . 34811 1 274 . 1 . 1 30 30 TYR HD2 H 1 6.976 0.020 . 1 . . . . A 113 TYR HD2 . 34811 1 275 . 1 . 1 30 30 TYR HE1 H 1 6.656 0.020 . 1 . . . . A 113 TYR HE1 . 34811 1 276 . 1 . 1 30 30 TYR HE2 H 1 6.642 0.020 . 1 . . . . A 113 TYR HE2 . 34811 1 277 . 1 . 1 30 30 TYR CA C 13 52.443 0.400 . 1 . . . . A 113 TYR CA . 34811 1 278 . 1 . 1 30 30 TYR CB C 13 38.287 0.400 . 1 . . . . A 113 TYR CB . 34811 1 279 . 1 . 1 30 30 TYR CD2 C 13 130.406 0.400 . 1 . . . . A 113 TYR CD2 . 34811 1 280 . 1 . 1 30 30 TYR CE1 C 13 48.231 0.400 . 1 . . . . A 113 TYR CE1 . 34811 1 281 . 1 . 1 31 31 ILE H H 1 8.812 0.020 . 1 . . . . A 114 ILE H . 34811 1 282 . 1 . 1 31 31 ILE HA H 1 4.326 0.020 . 1 . . . . A 114 ILE HA . 34811 1 283 . 1 . 1 31 31 ILE HB H 1 1.914 0.020 . 1 . . . . A 114 ILE HB . 34811 1 284 . 1 . 1 31 31 ILE HG12 H 1 0.803 0.020 . 2 . . . . A 114 ILE HG12 . 34811 1 285 . 1 . 1 31 31 ILE HG13 H 1 1.383 0.020 . 2 . . . . A 114 ILE HG13 . 34811 1 286 . 1 . 1 31 31 ILE HG21 H 1 0.827 0.020 . 1 . . . . A 114 ILE HG21 . 34811 1 287 . 1 . 1 31 31 ILE HG22 H 1 0.827 0.020 . 1 . . . . A 114 ILE HG22 . 34811 1 288 . 1 . 1 31 31 ILE HG23 H 1 0.827 0.020 . 1 . . . . A 114 ILE HG23 . 34811 1 289 . 1 . 1 31 31 ILE HD11 H 1 0.726 0.020 . 1 . . . . A 114 ILE HD11 . 34811 1 290 . 1 . 1 31 31 ILE HD12 H 1 0.726 0.020 . 1 . . . . A 114 ILE HD12 . 34811 1 291 . 1 . 1 31 31 ILE HD13 H 1 0.726 0.020 . 1 . . . . A 114 ILE HD13 . 34811 1 292 . 1 . 1 31 31 ILE CA C 13 60.270 0.400 . 1 . . . . A 114 ILE CA . 34811 1 293 . 1 . 1 31 31 ILE CB C 13 37.677 0.400 . 1 . . . . A 114 ILE CB . 34811 1 294 . 1 . 1 31 31 ILE CG1 C 13 22.097 0.400 . 1 . . . . A 114 ILE CG1 . 34811 1 295 . 1 . 1 31 31 ILE CG2 C 13 15.908 0.400 . 1 . . . . A 114 ILE CG2 . 34811 1 296 . 1 . 1 31 31 ILE CD1 C 13 12.833 0.400 . 1 . . . . A 114 ILE CD1 . 34811 1 297 . 1 . 1 32 32 PRO HA H 1 4.302 0.020 . 1 . . . . A 115 PRO HA . 34811 1 298 . 1 . 1 32 32 PRO HB2 H 1 2.101 0.020 . 2 . . . . A 115 PRO HB2 . 34811 1 299 . 1 . 1 32 32 PRO HB3 H 1 1.961 0.020 . 2 . . . . A 115 PRO HB3 . 34811 1 300 . 1 . 1 32 32 PRO HG2 H 1 1.917 0.020 . 2 . . . . A 115 PRO HG2 . 34811 1 301 . 1 . 1 32 32 PRO HG3 H 1 1.823 0.020 . 2 . . . . A 115 PRO HG3 . 34811 1 302 . 1 . 1 32 32 PRO HD2 H 1 3.465 0.020 . 2 . . . . A 115 PRO HD2 . 34811 1 303 . 1 . 1 32 32 PRO HD3 H 1 3.592 0.020 . 2 . . . . A 115 PRO HD3 . 34811 1 304 . 1 . 1 32 32 PRO CB C 13 26.794 0.400 . 1 . . . . A 115 PRO CB . 34811 1 305 . 1 . 1 32 32 PRO CG C 13 22.061 0.400 . 1 . . . . A 115 PRO CG . 34811 1 306 . 1 . 1 32 32 PRO CD C 13 47.185 0.400 . 1 . . . . A 115 PRO CD . 34811 1 307 . 1 . 1 33 33 ALA H H 1 8.255 0.020 . 1 . . . . A 116 ALA H . 34811 1 308 . 1 . 1 33 33 ALA HA H 1 4.415 0.020 . 1 . . . . A 116 ALA HA . 34811 1 309 . 1 . 1 33 33 ALA HB1 H 1 1.291 0.020 . 1 . . . . A 116 ALA HB1 . 34811 1 310 . 1 . 1 33 33 ALA HB2 H 1 1.291 0.020 . 1 . . . . A 116 ALA HB2 . 34811 1 311 . 1 . 1 33 33 ALA HB3 H 1 1.291 0.020 . 1 . . . . A 116 ALA HB3 . 34811 1 312 . 1 . 1 33 33 ALA CA C 13 47.708 0.400 . 1 . . . . A 116 ALA CA . 34811 1 313 . 1 . 1 33 33 ALA CB C 13 16.827 0.400 . 1 . . . . A 116 ALA CB . 34811 1 314 . 1 . 1 34 34 PRO HA H 1 4.349 0.020 . 1 . . . . A 117 PRO HA . 34811 1 315 . 1 . 1 34 34 PRO HB2 H 1 2.330 0.020 . 2 . . . . A 117 PRO HB2 . 34811 1 316 . 1 . 1 34 34 PRO HB3 H 1 1.867 0.020 . 2 . . . . A 117 PRO HB3 . 34811 1 317 . 1 . 1 34 34 PRO HD2 H 1 4.295 0.020 . 2 . . . . A 117 PRO HD2 . 34811 1 318 . 1 . 1 34 34 PRO CA C 13 61.312 0.400 . 1 . . . . A 117 PRO CA . 34811 1 319 . 1 . 1 34 34 PRO CB C 13 28.865 0.400 . 1 . . . . A 117 PRO CB . 34811 1 320 . 1 . 1 34 34 PRO CD C 13 52.792 0.400 . 1 . . . . A 117 PRO CD . 34811 1 321 . 1 . 1 35 35 GLY H H 1 8.743 0.020 . 1 . . . . A 118 GLY H . 34811 1 322 . 1 . 1 35 35 GLY HA2 H 1 3.928 0.020 . 2 . . . . A 118 GLY HA2 . 34811 1 323 . 1 . 1 35 35 GLY HA3 H 1 3.664 0.020 . 2 . . . . A 118 GLY HA3 . 34811 1 324 . 1 . 1 35 35 GLY CA C 13 44.241 0.400 . 1 . . . . A 118 GLY CA . 34811 1 325 . 1 . 1 36 36 THR H H 1 8.035 0.020 . 1 . . . . A 119 THR H . 34811 1 326 . 1 . 1 36 36 THR HA H 1 4.206 0.020 . 1 . . . . A 119 THR HA . 34811 1 327 . 1 . 1 36 36 THR HB H 1 4.049 0.020 . 1 . . . . A 119 THR HB . 34811 1 328 . 1 . 1 36 36 THR HG1 H 1 1.094 0.020 . 1 . . . . A 119 THR HG1 . 34811 1 329 . 1 . 1 36 36 THR HG21 H 1 1.061 0.020 . 1 . . . . A 119 THR HG21 . 34811 1 330 . 1 . 1 36 36 THR HG22 H 1 1.061 0.020 . 1 . . . . A 119 THR HG22 . 34811 1 331 . 1 . 1 36 36 THR HG23 H 1 1.061 0.020 . 1 . . . . A 119 THR HG23 . 34811 1 332 . 1 . 1 36 36 THR CA C 13 59.203 0.400 . 1 . . . . A 119 THR CA . 34811 1 333 . 1 . 1 36 36 THR CB C 13 67.264 0.400 . 1 . . . . A 119 THR CB . 34811 1 334 . 1 . 1 36 36 THR CG2 C 13 18.965 0.400 . 1 . . . . A 119 THR CG2 . 34811 1 335 . 1 . 1 37 37 CYS H H 1 8.159 0.020 . 1 . . . . A 120 CYS H . 34811 1 336 . 1 . 1 37 37 CYS HA H 1 4.506 0.020 . 1 . . . . A 120 CYS HA . 34811 1 337 . 1 . 1 37 37 CYS HB2 H 1 2.946 0.020 . 2 . . . . A 120 CYS HB2 . 34811 1 338 . 1 . 1 37 37 CYS CA C 13 53.989 0.400 . 1 . . . . A 120 CYS CA . 34811 1 339 . 1 . 1 37 37 CYS CB C 13 40.118 0.400 . 1 . . . . A 120 CYS CB . 34811 1 340 . 1 . 1 38 38 CYS H H 1 9.199 0.020 . 1 . . . . A 121 CYS H . 34811 1 341 . 1 . 1 38 38 CYS HA H 1 5.011 0.020 . 1 . . . . A 121 CYS HA . 34811 1 342 . 1 . 1 38 38 CYS HB2 H 1 2.671 0.020 . 2 . . . . A 121 CYS HB2 . 34811 1 343 . 1 . 1 38 38 CYS HB3 H 1 3.098 0.020 . 2 . . . . A 121 CYS HB3 . 34811 1 344 . 1 . 1 38 38 CYS CA C 13 51.820 0.400 . 1 . . . . A 121 CYS CA . 34811 1 345 . 1 . 1 38 38 CYS CB C 13 44.568 0.400 . 1 . . . . A 121 CYS CB . 34811 1 346 . 1 . 1 39 39 TYR H H 1 8.976 0.020 . 1 . . . . A 122 TYR H . 34811 1 347 . 1 . 1 39 39 TYR HA H 1 5.288 0.020 . 1 . . . . A 122 TYR HA . 34811 1 348 . 1 . 1 39 39 TYR HB2 H 1 2.774 0.020 . 2 . . . . A 122 TYR HB2 . 34811 1 349 . 1 . 1 39 39 TYR HB3 H 1 3.078 0.020 . 2 . . . . A 122 TYR HB3 . 34811 1 350 . 1 . 1 39 39 TYR HD1 H 1 6.947 0.020 . 3 . . . . A 122 TYR HD1 . 34811 1 351 . 1 . 1 39 39 TYR HD2 H 1 6.947 0.020 . 3 . . . . A 122 TYR HD2 . 34811 1 352 . 1 . 1 39 39 TYR HE1 H 1 6.611 0.020 . 1 . . . . A 122 TYR HE1 . 34811 1 353 . 1 . 1 39 39 TYR HE2 H 1 6.625 0.020 . 1 . . . . A 122 TYR HE2 . 34811 1 354 . 1 . 1 39 39 TYR CA C 13 54.498 0.400 . 1 . . . . A 122 TYR CA . 34811 1 355 . 1 . 1 39 39 TYR CB C 13 37.699 0.400 . 1 . . . . A 122 TYR CB . 34811 1 356 . 1 . 1 39 39 TYR CD1 C 13 130.222 0.400 . 1 . . . . A 122 TYR CD1 . 34811 1 357 . 1 . 1 39 39 TYR CE1 C 13 114.861 0.400 . 1 . . . . A 122 TYR CE1 . 34811 1 358 . 1 . 1 40 40 ILE H H 1 9.131 0.020 . 1 . . . . A 123 ILE H . 34811 1 359 . 1 . 1 40 40 ILE HA H 1 5.016 0.020 . 1 . . . . A 123 ILE HA . 34811 1 360 . 1 . 1 40 40 ILE HB H 1 1.539 0.020 . 1 . . . . A 123 ILE HB . 34811 1 361 . 1 . 1 40 40 ILE HG12 H 1 1.013 0.020 . 2 . . . . A 123 ILE HG12 . 34811 1 362 . 1 . 1 40 40 ILE HG13 H 1 1.065 0.020 . 2 . . . . A 123 ILE HG13 . 34811 1 363 . 1 . 1 40 40 ILE HG21 H 1 0.807 0.020 . 1 . . . . A 123 ILE HG21 . 34811 1 364 . 1 . 1 40 40 ILE HG22 H 1 0.807 0.020 . 1 . . . . A 123 ILE HG22 . 34811 1 365 . 1 . 1 40 40 ILE HG23 H 1 0.807 0.020 . 1 . . . . A 123 ILE HG23 . 34811 1 366 . 1 . 1 40 40 ILE HD11 H 1 0.600 0.020 . 1 . . . . A 123 ILE HD11 . 34811 1 367 . 1 . 1 40 40 ILE HD12 H 1 0.600 0.020 . 1 . . . . A 123 ILE HD12 . 34811 1 368 . 1 . 1 40 40 ILE HD13 H 1 0.600 0.020 . 1 . . . . A 123 ILE HD13 . 34811 1 369 . 1 . 1 40 40 ILE CA C 13 55.576 0.400 . 1 . . . . A 123 ILE CA . 34811 1 370 . 1 . 1 40 40 ILE CB C 13 35.787 0.400 . 1 . . . . A 123 ILE CB . 34811 1 371 . 1 . 1 40 40 ILE CG1 C 13 24.202 0.400 . 1 . . . . A 123 ILE CG1 . 34811 1 372 . 1 . 1 40 40 ILE CG2 C 13 15.954 0.400 . 1 . . . . A 123 ILE CG2 . 34811 1 373 . 1 . 1 40 40 ILE CD1 C 13 9.107 0.400 . 1 . . . . A 123 ILE CD1 . 34811 1 374 . 1 . 1 41 41 MET H H 1 9.368 0.020 . 1 . . . . A 124 MET H . 34811 1 375 . 1 . 1 41 41 MET HA H 1 4.946 0.020 . 1 . . . . A 124 MET HA . 34811 1 376 . 1 . 1 41 41 MET HB2 H 1 1.709 0.020 . 2 . . . . A 124 MET HB2 . 34811 1 377 . 1 . 1 41 41 MET HB3 H 1 2.047 0.020 . 2 . . . . A 124 MET HB3 . 34811 1 378 . 1 . 1 41 41 MET HE1 H 1 1.733 0.020 . 1 . . . . A 124 MET HE1 . 34811 1 379 . 1 . 1 41 41 MET HE2 H 1 1.733 0.020 . 1 . . . . A 124 MET HE2 . 34811 1 380 . 1 . 1 41 41 MET HE3 H 1 1.733 0.020 . 1 . . . . A 124 MET HE3 . 34811 1 381 . 1 . 1 41 41 MET CA C 13 51.363 0.400 . 1 . . . . A 124 MET CA . 34811 1 382 . 1 . 1 41 41 MET CB C 13 34.600 0.400 . 1 . . . . A 124 MET CB . 34811 1 383 . 1 . 1 41 41 MET CE C 13 14.210 0.400 . 1 . . . . A 124 MET CE . 34811 1 384 . 1 . 1 42 42 LYS H H 1 8.867 0.020 . 1 . . . . A 125 LYS H . 34811 1 385 . 1 . 1 42 42 LYS HA H 1 4.918 0.020 . 1 . . . . A 125 LYS HA . 34811 1 386 . 1 . 1 42 42 LYS HB2 H 1 1.768 0.020 . 2 . . . . A 125 LYS HB2 . 34811 1 387 . 1 . 1 42 42 LYS HB3 H 1 1.995 0.020 . 2 . . . . A 125 LYS HB3 . 34811 1 388 . 1 . 1 42 42 LYS HG2 H 1 1.570 0.020 . 2 . . . . A 125 LYS HG2 . 34811 1 389 . 1 . 1 42 42 LYS HG3 H 1 1.620 0.020 . 2 . . . . A 125 LYS HG3 . 34811 1 390 . 1 . 1 42 42 LYS HD2 H 1 1.761 0.020 . 2 . . . . A 125 LYS HD2 . 34811 1 391 . 1 . 1 42 42 LYS HE2 H 1 3.041 0.020 . 2 . . . . A 125 LYS HE2 . 34811 1 392 . 1 . 1 42 42 LYS CA C 13 51.370 0.400 . 1 . . . . A 125 LYS CA . 34811 1 393 . 1 . 1 42 42 LYS CB C 13 34.685 0.400 . 1 . . . . A 125 LYS CB . 34811 1 394 . 1 . 1 42 42 LYS CG C 13 22.042 0.400 . 1 . . . . A 125 LYS CG . 34811 1 395 . 1 . 1 42 42 LYS CD C 13 25.725 0.400 . 1 . . . . A 125 LYS CD . 34811 1 396 . 1 . 1 42 42 LYS CE C 13 39.351 0.400 . 1 . . . . A 125 LYS CE . 34811 1 397 . 1 . 1 43 43 ILE H H 1 8.863 0.020 . 1 . . . . A 126 ILE H . 34811 1 398 . 1 . 1 43 43 ILE HA H 1 4.429 0.020 . 1 . . . . A 126 ILE HA . 34811 1 399 . 1 . 1 43 43 ILE HB H 1 1.709 0.020 . 1 . . . . A 126 ILE HB . 34811 1 400 . 1 . 1 43 43 ILE HG12 H 1 1.178 0.020 . 2 . . . . A 126 ILE HG12 . 34811 1 401 . 1 . 1 43 43 ILE HG21 H 1 0.804 0.020 . 1 . . . . A 126 ILE HG21 . 34811 1 402 . 1 . 1 43 43 ILE HG22 H 1 0.804 0.020 . 1 . . . . A 126 ILE HG22 . 34811 1 403 . 1 . 1 43 43 ILE HG23 H 1 0.804 0.020 . 1 . . . . A 126 ILE HG23 . 34811 1 404 . 1 . 1 43 43 ILE HD11 H 1 0.604 0.020 . 1 . . . . A 126 ILE HD11 . 34811 1 405 . 1 . 1 43 43 ILE HD12 H 1 0.604 0.020 . 1 . . . . A 126 ILE HD12 . 34811 1 406 . 1 . 1 43 43 ILE HD13 H 1 0.604 0.020 . 1 . . . . A 126 ILE HD13 . 34811 1 407 . 1 . 1 43 43 ILE CA C 13 57.333 0.400 . 1 . . . . A 126 ILE CA . 34811 1 408 . 1 . 1 43 43 ILE CB C 13 37.715 0.400 . 1 . . . . A 126 ILE CB . 34811 1 409 . 1 . 1 43 43 ILE CG1 C 13 24.175 0.400 . 1 . . . . A 126 ILE CG1 . 34811 1 410 . 1 . 1 43 43 ILE CG2 C 13 15.952 0.400 . 1 . . . . A 126 ILE CG2 . 34811 1 411 . 1 . 1 43 43 ILE CD1 C 13 10.719 0.400 . 1 . . . . A 126 ILE CD1 . 34811 1 412 . 1 . 1 44 44 ALA H H 1 8.193 0.020 . 1 . . . . A 127 ALA H . 34811 1 413 . 1 . 1 44 44 ALA HA H 1 4.782 0.020 . 1 . . . . A 127 ALA HA . 34811 1 414 . 1 . 1 44 44 ALA HB1 H 1 1.394 0.020 . 1 . . . . A 127 ALA HB1 . 34811 1 415 . 1 . 1 44 44 ALA HB2 H 1 1.394 0.020 . 1 . . . . A 127 ALA HB2 . 34811 1 416 . 1 . 1 44 44 ALA HB3 H 1 1.394 0.020 . 1 . . . . A 127 ALA HB3 . 34811 1 417 . 1 . 1 44 44 ALA CA C 13 46.887 0.400 . 1 . . . . A 127 ALA CA . 34811 1 418 . 1 . 1 44 44 ALA CB C 13 16.289 0.400 . 1 . . . . A 127 ALA CB . 34811 1 419 . 1 . 1 45 45 PRO HA H 1 4.130 0.020 . 1 . . . . A 128 PRO HA . 34811 1 420 . 1 . 1 45 45 PRO HB2 H 1 2.328 0.020 . 2 . . . . A 128 PRO HB2 . 34811 1 421 . 1 . 1 45 45 PRO HB3 H 1 1.960 0.020 . 2 . . . . A 128 PRO HB3 . 34811 1 422 . 1 . 1 45 45 PRO HG2 H 1 1.989 0.020 . 2 . . . . A 128 PRO HG2 . 34811 1 423 . 1 . 1 45 45 PRO HG3 H 1 2.117 0.020 . 2 . . . . A 128 PRO HG3 . 34811 1 424 . 1 . 1 45 45 PRO HD2 H 1 3.832 0.020 . 2 . . . . A 128 PRO HD2 . 34811 1 425 . 1 . 1 45 45 PRO HD3 H 1 4.153 0.020 . 2 . . . . A 128 PRO HD3 . 34811 1 426 . 1 . 1 45 45 PRO CA C 13 62.350 0.400 . 1 . . . . A 128 PRO CA . 34811 1 427 . 1 . 1 45 45 PRO CB C 13 28.865 0.400 . 1 . . . . A 128 PRO CB . 34811 1 428 . 1 . 1 45 45 PRO CG C 13 25.725 0.400 . 1 . . . . A 128 PRO CG . 34811 1 429 . 1 . 1 45 45 PRO CD C 13 47.740 0.400 . 1 . . . . A 128 PRO CD . 34811 1 430 . 1 . 1 46 46 GLU H H 1 8.821 0.020 . 1 . . . . A 129 GLU H . 34811 1 431 . 1 . 1 46 46 GLU HA H 1 4.206 0.020 . 1 . . . . A 129 GLU HA . 34811 1 432 . 1 . 1 46 46 GLU HB2 H 1 2.078 0.020 . 2 . . . . A 129 GLU HB2 . 34811 1 433 . 1 . 1 46 46 GLU HB3 H 1 2.078 0.020 . 2 . . . . A 129 GLU HB3 . 34811 1 434 . 1 . 1 46 46 GLU HG2 H 1 1.940 0.020 . 2 . . . . A 129 GLU HG2 . 34811 1 435 . 1 . 1 46 46 GLU HG3 H 1 2.236 0.020 . 2 . . . . A 129 GLU HG3 . 34811 1 436 . 1 . 1 46 46 GLU CA C 13 54.612 0.400 . 1 . . . . A 129 GLU CA . 34811 1 437 . 1 . 1 46 46 GLU CB C 13 25.983 0.400 . 1 . . . . A 129 GLU CB . 34811 1 438 . 1 . 1 46 46 GLU CG C 13 33.597 0.400 . 1 . . . . A 129 GLU CG . 34811 1 439 . 1 . 1 47 47 SER H H 1 7.901 0.020 . 1 . . . . A 130 SER H . 34811 1 440 . 1 . 1 47 47 SER HA H 1 4.596 0.020 . 1 . . . . A 130 SER HA . 34811 1 441 . 1 . 1 47 47 SER HB2 H 1 3.736 0.020 . 2 . . . . A 130 SER HB2 . 34811 1 442 . 1 . 1 47 47 SER HB3 H 1 3.736 0.020 . 2 . . . . A 130 SER HB3 . 34811 1 443 . 1 . 1 47 47 SER CA C 13 53.989 0.400 . 1 . . . . A 130 SER CA . 34811 1 444 . 1 . 1 47 47 SER CB C 13 61.307 0.400 . 1 . . . . A 130 SER CB . 34811 1 445 . 1 . 1 48 48 ILE H H 1 8.357 0.020 . 1 . . . . A 131 ILE H . 34811 1 446 . 1 . 1 48 48 ILE HA H 1 4.319 0.020 . 1 . . . . A 131 ILE HA . 34811 1 447 . 1 . 1 48 48 ILE HB H 1 1.870 0.020 . 1 . . . . A 131 ILE HB . 34811 1 448 . 1 . 1 48 48 ILE HG12 H 1 1.102 0.020 . 2 . . . . A 131 ILE HG12 . 34811 1 449 . 1 . 1 48 48 ILE HG13 H 1 1.685 0.020 . 2 . . . . A 131 ILE HG13 . 34811 1 450 . 1 . 1 48 48 ILE HG21 H 1 0.979 0.020 . 1 . . . . A 131 ILE HG21 . 34811 1 451 . 1 . 1 48 48 ILE HG22 H 1 0.979 0.020 . 1 . . . . A 131 ILE HG22 . 34811 1 452 . 1 . 1 48 48 ILE HG23 H 1 0.979 0.020 . 1 . . . . A 131 ILE HG23 . 34811 1 453 . 1 . 1 48 48 ILE HD11 H 1 0.860 0.020 . 1 . . . . A 131 ILE HD11 . 34811 1 454 . 1 . 1 48 48 ILE HD12 H 1 0.860 0.020 . 1 . . . . A 131 ILE HD12 . 34811 1 455 . 1 . 1 48 48 ILE HD13 H 1 0.860 0.020 . 1 . . . . A 131 ILE HD13 . 34811 1 456 . 1 . 1 48 48 ILE CA C 13 56.082 0.400 . 1 . . . . A 131 ILE CA . 34811 1 457 . 1 . 1 48 48 ILE CB C 13 35.826 0.400 . 1 . . . . A 131 ILE CB . 34811 1 458 . 1 . 1 48 48 ILE CG1 C 13 24.678 0.400 . 1 . . . . A 131 ILE CG1 . 34811 1 459 . 1 . 1 48 48 ILE CG2 C 13 14.677 0.400 . 1 . . . . A 131 ILE CG2 . 34811 1 460 . 1 . 1 48 48 ILE CD1 C 13 10.023 0.400 . 1 . . . . A 131 ILE CD1 . 34811 1 461 . 1 . 1 49 49 PRO HA H 1 4.402 0.020 . 1 . . . . A 132 PRO HA . 34811 1 462 . 1 . 1 49 49 PRO HB2 H 1 1.895 0.020 . 2 . . . . A 132 PRO HB2 . 34811 1 463 . 1 . 1 49 49 PRO HB3 H 1 2.268 0.020 . 2 . . . . A 132 PRO HB3 . 34811 1 464 . 1 . 1 49 49 PRO HG2 H 1 1.860 0.020 . 2 . . . . A 132 PRO HG2 . 34811 1 465 . 1 . 1 49 49 PRO HG3 H 1 2.270 0.020 . 2 . . . . A 132 PRO HG3 . 34811 1 466 . 1 . 1 49 49 PRO HD2 H 1 3.619 0.020 . 2 . . . . A 132 PRO HD2 . 34811 1 467 . 1 . 1 49 49 PRO HD3 H 1 3.823 0.020 . 2 . . . . A 132 PRO HD3 . 34811 1 468 . 1 . 1 49 49 PRO CA C 13 60.431 0.400 . 1 . . . . A 132 PRO CA . 34811 1 469 . 1 . 1 49 49 PRO CB C 13 29.571 0.400 . 1 . . . . A 132 PRO CB . 34811 1 470 . 1 . 1 49 49 PRO CG C 13 29.438 0.400 . 1 . . . . A 132 PRO CG . 34811 1 471 . 1 . 1 49 49 PRO CD C 13 48.197 0.400 . 1 . . . . A 132 PRO CD . 34811 1 472 . 1 . 1 50 50 SER H H 1 8.364 0.020 . 1 . . . . A 133 SER H . 34811 1 473 . 1 . 1 50 50 SER HA H 1 4.425 0.020 . 1 . . . . A 133 SER HA . 34811 1 474 . 1 . 1 50 50 SER HB2 H 1 3.882 0.020 . 2 . . . . A 133 SER HB2 . 34811 1 475 . 1 . 1 50 50 SER HB3 H 1 3.718 0.020 . 2 . . . . A 133 SER HB3 . 34811 1 476 . 1 . 1 50 50 SER CA C 13 55.036 0.400 . 1 . . . . A 133 SER CA . 34811 1 477 . 1 . 1 50 50 SER CB C 13 61.343 0.400 . 1 . . . . A 133 SER CB . 34811 1 478 . 1 . 1 51 51 LEU H H 1 8.079 0.020 . 1 . . . . A 134 LEU H . 34811 1 479 . 1 . 1 51 51 LEU HA H 1 3.904 0.020 . 1 . . . . A 134 LEU HA . 34811 1 480 . 1 . 1 51 51 LEU HB2 H 1 1.618 0.020 . 2 . . . . A 134 LEU HB2 . 34811 1 481 . 1 . 1 51 51 LEU HG H 1 0.706 0.020 . 1 . . . . A 134 LEU HG . 34811 1 482 . 1 . 1 51 51 LEU HD11 H 1 0.724 0.020 . 2 . . . . A 134 LEU HD11 . 34811 1 483 . 1 . 1 51 51 LEU HD12 H 1 0.724 0.020 . 2 . . . . A 134 LEU HD12 . 34811 1 484 . 1 . 1 51 51 LEU HD13 H 1 0.724 0.020 . 2 . . . . A 134 LEU HD13 . 34811 1 485 . 1 . 1 51 51 LEU CA C 13 55.031 0.400 . 1 . . . . A 134 LEU CA . 34811 1 486 . 1 . 1 51 51 LEU CB C 13 39.364 0.400 . 1 . . . . A 134 LEU CB . 34811 1 487 . 1 . 1 51 51 LEU CD1 C 13 21.731 0.400 . 1 . . . . A 134 LEU CD1 . 34811 1 488 . 1 . 1 52 52 GLU H H 1 8.698 0.020 . 1 . . . . A 135 GLU H . 34811 1 489 . 1 . 1 52 52 GLU HA H 1 3.885 0.020 . 1 . . . . A 135 GLU HA . 34811 1 490 . 1 . 1 52 52 GLU HB2 H 1 1.863 0.020 . 2 . . . . A 135 GLU HB2 . 34811 1 491 . 1 . 1 52 52 GLU HB3 H 1 1.969 0.020 . 2 . . . . A 135 GLU HB3 . 34811 1 492 . 1 . 1 52 52 GLU HG2 H 1 2.176 0.020 . 2 . . . . A 135 GLU HG2 . 34811 1 493 . 1 . 1 52 52 GLU HG3 H 1 2.218 0.020 . 2 . . . . A 135 GLU HG3 . 34811 1 494 . 1 . 1 52 52 GLU CA C 13 57.354 0.400 . 1 . . . . A 135 GLU CA . 34811 1 495 . 1 . 1 52 52 GLU CB C 13 26.425 0.400 . 1 . . . . A 135 GLU CB . 34811 1 496 . 1 . 1 52 52 GLU CG C 13 33.690 0.400 . 1 . . . . A 135 GLU CG . 34811 1 497 . 1 . 1 53 53 ALA H H 1 7.819 0.020 . 1 . . . . A 136 ALA H . 34811 1 498 . 1 . 1 53 53 ALA HA H 1 4.053 0.020 . 1 . . . . A 136 ALA HA . 34811 1 499 . 1 . 1 53 53 ALA HB1 H 1 1.440 0.020 . 1 . . . . A 136 ALA HB1 . 34811 1 500 . 1 . 1 53 53 ALA HB2 H 1 1.440 0.020 . 1 . . . . A 136 ALA HB2 . 34811 1 501 . 1 . 1 53 53 ALA HB3 H 1 1.440 0.020 . 1 . . . . A 136 ALA HB3 . 34811 1 502 . 1 . 1 53 53 ALA CA C 13 52.118 0.400 . 1 . . . . A 136 ALA CA . 34811 1 503 . 1 . 1 53 53 ALA CB C 13 15.257 0.400 . 1 . . . . A 136 ALA CB . 34811 1 504 . 1 . 1 54 54 LEU H H 1 8.006 0.020 . 1 . . . . A 137 LEU H . 34811 1 505 . 1 . 1 54 54 LEU HA H 1 4.312 0.020 . 1 . . . . A 137 LEU HA . 34811 1 506 . 1 . 1 54 54 LEU HB2 H 1 1.507 0.020 . 2 . . . . A 137 LEU HB2 . 34811 1 507 . 1 . 1 54 54 LEU HG H 1 1.412 0.020 . 1 . . . . A 137 LEU HG . 34811 1 508 . 1 . 1 54 54 LEU HD11 H 1 0.792 0.020 . 2 . . . . A 137 LEU HD11 . 34811 1 509 . 1 . 1 54 54 LEU HD12 H 1 0.792 0.020 . 2 . . . . A 137 LEU HD12 . 34811 1 510 . 1 . 1 54 54 LEU HD13 H 1 0.792 0.020 . 2 . . . . A 137 LEU HD13 . 34811 1 511 . 1 . 1 54 54 LEU HD21 H 1 0.608 0.020 . 2 . . . . A 137 LEU HD21 . 34811 1 512 . 1 . 1 54 54 LEU HD22 H 1 0.608 0.020 . 2 . . . . A 137 LEU HD22 . 34811 1 513 . 1 . 1 54 54 LEU HD23 H 1 0.608 0.020 . 2 . . . . A 137 LEU HD23 . 34811 1 514 . 1 . 1 54 54 LEU CA C 13 52.431 0.400 . 1 . . . . A 137 LEU CA . 34811 1 515 . 1 . 1 54 54 LEU CB C 13 39.817 0.400 . 1 . . . . A 137 LEU CB . 34811 1 516 . 1 . 1 54 54 LEU CG C 13 24.235 0.400 . 1 . . . . A 137 LEU CG . 34811 1 517 . 1 . 1 54 54 LEU CD1 C 13 20.567 0.400 . 1 . . . . A 137 LEU CD1 . 34811 1 518 . 1 . 1 54 54 LEU CD2 C 13 21.422 0.400 . 1 . . . . A 137 LEU CD2 . 34811 1 519 . 1 . 1 55 55 THR H H 1 8.123 0.020 . 1 . . . . A 138 THR H . 34811 1 520 . 1 . 1 55 55 THR HA H 1 3.481 0.020 . 1 . . . . A 138 THR HA . 34811 1 521 . 1 . 1 55 55 THR HB H 1 4.124 0.020 . 1 . . . . A 138 THR HB . 34811 1 522 . 1 . 1 55 55 THR HG1 H 1 0.975 0.020 . 1 . . . . A 138 THR HG1 . 34811 1 523 . 1 . 1 55 55 THR HG21 H 1 0.995 0.020 . 1 . . . . A 138 THR HG21 . 34811 1 524 . 1 . 1 55 55 THR HG22 H 1 0.995 0.020 . 1 . . . . A 138 THR HG22 . 34811 1 525 . 1 . 1 55 55 THR HG23 H 1 0.995 0.020 . 1 . . . . A 138 THR HG23 . 34811 1 526 . 1 . 1 55 55 THR CA C 13 63.410 0.400 . 1 . . . . A 138 THR CA . 34811 1 527 . 1 . 1 55 55 THR CB C 13 65.504 0.400 . 1 . . . . A 138 THR CB . 34811 1 528 . 1 . 1 55 55 THR CG2 C 13 18.921 0.400 . 1 . . . . A 138 THR CG2 . 34811 1 529 . 1 . 1 56 56 GLN H H 1 7.645 0.020 . 1 . . . . A 139 GLN H . 34811 1 530 . 1 . 1 56 56 GLN HA H 1 3.950 0.020 . 1 . . . . A 139 GLN HA . 34811 1 531 . 1 . 1 56 56 GLN HB2 H 1 2.059 0.020 . 2 . . . . A 139 GLN HB2 . 34811 1 532 . 1 . 1 56 56 GLN HB3 H 1 2.059 0.020 . 2 . . . . A 139 GLN HB3 . 34811 1 533 . 1 . 1 56 56 GLN HG2 H 1 2.315 0.020 . 2 . . . . A 139 GLN HG2 . 34811 1 534 . 1 . 1 56 56 GLN HG3 H 1 2.420 0.020 . 2 . . . . A 139 GLN HG3 . 34811 1 535 . 1 . 1 56 56 GLN HE21 H 1 6.746 0.020 . 2 . . . . A 139 GLN HE21 . 34811 1 536 . 1 . 1 56 56 GLN HE22 H 1 7.381 0.020 . 2 . . . . A 139 GLN HE22 . 34811 1 537 . 1 . 1 56 56 GLN CA C 13 55.559 0.400 . 1 . . . . A 139 GLN CA . 34811 1 538 . 1 . 1 56 56 GLN CB C 13 25.776 0.400 . 1 . . . . A 139 GLN CB . 34811 1 539 . 1 . 1 56 56 GLN CG C 13 31.388 0.400 . 1 . . . . A 139 GLN CG . 34811 1 540 . 1 . 1 57 57 LYS H H 1 7.609 0.020 . 1 . . . . A 140 LYS H . 34811 1 541 . 1 . 1 57 57 LYS HA H 1 4.020 0.020 . 1 . . . . A 140 LYS HA . 34811 1 542 . 1 . 1 57 57 LYS HB2 H 1 1.792 0.020 . 2 . . . . A 140 LYS HB2 . 34811 1 543 . 1 . 1 57 57 LYS HB3 H 1 1.895 0.020 . 2 . . . . A 140 LYS HB3 . 34811 1 544 . 1 . 1 57 57 LYS HD2 H 1 1.529 0.020 . 2 . . . . A 140 LYS HD2 . 34811 1 545 . 1 . 1 57 57 LYS HD3 H 1 1.644 0.020 . 2 . . . . A 140 LYS HD3 . 34811 1 546 . 1 . 1 57 57 LYS HE2 H 1 3.157 0.020 . 2 . . . . A 140 LYS HE2 . 34811 1 547 . 1 . 1 57 57 LYS HE3 H 1 2.947 0.020 . 2 . . . . A 140 LYS HE3 . 34811 1 548 . 1 . 1 57 57 LYS HZ1 H 1 3.978 0.020 . 1 . . . . A 140 LYS HZ1 . 34811 1 549 . 1 . 1 57 57 LYS HZ2 H 1 3.978 0.020 . 1 . . . . A 140 LYS HZ2 . 34811 1 550 . 1 . 1 57 57 LYS HZ3 H 1 3.978 0.020 . 1 . . . . A 140 LYS HZ3 . 34811 1 551 . 1 . 1 57 57 LYS CA C 13 56.191 0.400 . 1 . . . . A 140 LYS CA . 34811 1 552 . 1 . 1 57 57 LYS CB C 13 30.112 0.400 . 1 . . . . A 140 LYS CB . 34811 1 553 . 1 . 1 57 57 LYS CD C 13 26.443 0.400 . 1 . . . . A 140 LYS CD . 34811 1 554 . 1 . 1 57 57 LYS CE C 13 39.576 0.400 . 1 . . . . A 140 LYS CE . 34811 1 555 . 1 . 1 58 58 VAL H H 1 7.838 0.020 . 1 . . . . A 141 VAL H . 34811 1 556 . 1 . 1 58 58 VAL HA H 1 3.376 0.020 . 1 . . . . A 141 VAL HA . 34811 1 557 . 1 . 1 58 58 VAL HB H 1 1.655 0.020 . 1 . . . . A 141 VAL HB . 34811 1 558 . 1 . 1 58 58 VAL HG11 H 1 0.217 0.020 . 2 . . . . A 141 VAL HG11 . 34811 1 559 . 1 . 1 58 58 VAL HG12 H 1 0.217 0.020 . 2 . . . . A 141 VAL HG12 . 34811 1 560 . 1 . 1 58 58 VAL HG13 H 1 0.217 0.020 . 2 . . . . A 141 VAL HG13 . 34811 1 561 . 1 . 1 58 58 VAL HG21 H 1 0.341 0.020 . 2 . . . . A 141 VAL HG21 . 34811 1 562 . 1 . 1 58 58 VAL HG22 H 1 0.341 0.020 . 2 . . . . A 141 VAL HG22 . 34811 1 563 . 1 . 1 58 58 VAL HG23 H 1 0.341 0.020 . 2 . . . . A 141 VAL HG23 . 34811 1 564 . 1 . 1 58 58 VAL CA C 13 61.840 0.400 . 1 . . . . A 141 VAL CA . 34811 1 565 . 1 . 1 58 58 VAL CB C 13 28.342 0.400 . 1 . . . . A 141 VAL CB . 34811 1 566 . 1 . 1 58 58 VAL CG1 C 13 16.827 0.400 . 1 . . . . A 141 VAL CG1 . 34811 1 567 . 1 . 1 58 58 VAL CG2 C 13 17.874 0.400 . 1 . . . . A 141 VAL CG2 . 34811 1 568 . 1 . 1 59 59 HIS H H 1 7.831 0.020 . 1 . . . . A 142 HIS H . 34811 1 569 . 1 . 1 59 59 HIS HA H 1 4.279 0.020 . 1 . . . . A 142 HIS HA . 34811 1 570 . 1 . 1 59 59 HIS HB2 H 1 3.070 0.020 . 2 . . . . A 142 HIS HB2 . 34811 1 571 . 1 . 1 59 59 HIS HD2 H 1 7.901 0.020 . 1 . . . . A 142 HIS HD2 . 34811 1 572 . 1 . 1 59 59 HIS HE1 H 1 7.907 0.020 . 1 . . . . A 142 HIS HE1 . 34811 1 573 . 1 . 1 59 59 HIS CA C 13 55.559 0.400 . 1 . . . . A 142 HIS CA . 34811 1 574 . 1 . 1 59 59 HIS CB C 13 27.295 0.400 . 1 . . . . A 142 HIS CB . 34811 1 575 . 1 . 1 59 59 HIS CE1 C 13 135.178 0.400 . 1 . . . . A 142 HIS CE1 . 34811 1 576 . 1 . 1 60 60 ASN H H 1 8.345 0.020 . 1 . . . . A 143 ASN H . 34811 1 577 . 1 . 1 60 60 ASN HA H 1 4.499 0.020 . 1 . . . . A 143 ASN HA . 34811 1 578 . 1 . 1 60 60 ASN HB2 H 1 2.662 0.020 . 2 . . . . A 143 ASN HB2 . 34811 1 579 . 1 . 1 60 60 ASN HB3 H 1 2.734 0.020 . 2 . . . . A 143 ASN HB3 . 34811 1 580 . 1 . 1 60 60 ASN HD21 H 1 6.853 0.020 . 2 . . . . A 143 ASN HD21 . 34811 1 581 . 1 . 1 60 60 ASN HD22 H 1 7.458 0.020 . 2 . . . . A 143 ASN HD22 . 34811 1 582 . 1 . 1 60 60 ASN CA C 13 51.372 0.400 . 1 . . . . A 143 ASN CA . 34811 1 583 . 1 . 1 60 60 ASN CB C 13 35.670 0.400 . 1 . . . . A 143 ASN CB . 34811 1 584 . 1 . 1 61 61 PHE H H 1 8.728 0.020 . 1 . . . . A 144 PHE H . 34811 1 585 . 1 . 1 61 61 PHE HA H 1 5.201 0.020 . 1 . . . . A 144 PHE HA . 34811 1 586 . 1 . 1 61 61 PHE HB2 H 1 2.849 0.020 . 2 . . . . A 144 PHE HB2 . 34811 1 587 . 1 . 1 61 61 PHE HB3 H 1 2.330 0.020 . 2 . . . . A 144 PHE HB3 . 34811 1 588 . 1 . 1 61 61 PHE HD1 H 1 6.683 0.020 . 3 . . . . A 144 PHE HD1 . 34811 1 589 . 1 . 1 61 61 PHE HD2 H 1 6.683 0.020 . 3 . . . . A 144 PHE HD2 . 34811 1 590 . 1 . 1 61 61 PHE HE1 H 1 6.945 0.020 . 3 . . . . A 144 PHE HE1 . 34811 1 591 . 1 . 1 61 61 PHE HE2 H 1 6.945 0.020 . 3 . . . . A 144 PHE HE2 . 34811 1 592 . 1 . 1 61 61 PHE CA C 13 55.120 0.400 . 1 . . . . A 144 PHE CA . 34811 1 593 . 1 . 1 61 61 PHE CB C 13 37.763 0.400 . 1 . . . . A 144 PHE CB . 34811 1 594 . 1 . 1 61 61 PHE CD1 C 13 129.854 0.400 . 1 . . . . A 144 PHE CD1 . 34811 1 595 . 1 . 1 61 61 PHE CE1 C 13 62.887 0.400 . 1 . . . . A 144 PHE CE1 . 34811 1 596 . 1 . 1 62 62 GLN H H 1 8.720 0.020 . 1 . . . . A 145 GLN H . 34811 1 597 . 1 . 1 62 62 GLN HB2 H 1 2.054 0.020 . 2 . . . . A 145 GLN HB2 . 34811 1 598 . 1 . 1 62 62 GLN HG2 H 1 2.303 0.020 . 2 . . . . A 145 GLN HG2 . 34811 1 599 . 1 . 1 62 62 GLN HG3 H 1 2.412 0.020 . 2 . . . . A 145 GLN HG3 . 34811 1 600 . 1 . 1 62 62 GLN HE21 H 1 6.813 0.020 . 2 . . . . A 145 GLN HE21 . 34811 1 601 . 1 . 1 62 62 GLN HE22 H 1 7.616 0.020 . 2 . . . . A 145 GLN HE22 . 34811 1 602 . 1 . 1 62 62 GLN CB C 13 25.696 0.400 . 1 . . . . A 145 GLN CB . 34811 1 603 . 1 . 1 62 62 GLN CG C 13 31.095 0.400 . 1 . . . . A 145 GLN CG . 34811 1 604 . 1 . 1 63 63 MET H H 1 7.825 0.020 . 1 . . . . A 146 MET H . 34811 1 605 . 1 . 1 63 63 MET HA H 1 4.079 0.020 . 1 . . . . A 146 MET HA . 34811 1 606 . 1 . 1 63 63 MET HB2 H 1 2.033 0.020 . 2 . . . . A 146 MET HB2 . 34811 1 607 . 1 . 1 63 63 MET HB3 H 1 2.634 0.020 . 2 . . . . A 146 MET HB3 . 34811 1 608 . 1 . 1 63 63 MET HG2 H 1 2.404 0.020 . 2 . . . . A 146 MET HG2 . 34811 1 609 . 1 . 1 63 63 MET HG3 H 1 2.500 0.020 . 2 . . . . A 146 MET HG3 . 34811 1 610 . 1 . 1 63 63 MET HE1 H 1 1.849 0.020 . 1 . . . . A 146 MET HE1 . 34811 1 611 . 1 . 1 63 63 MET HE2 H 1 1.849 0.020 . 1 . . . . A 146 MET HE2 . 34811 1 612 . 1 . 1 63 63 MET HE3 H 1 1.849 0.020 . 1 . . . . A 146 MET HE3 . 34811 1 613 . 1 . 1 63 63 MET CA C 13 55.915 0.400 . 1 . . . . A 146 MET CA . 34811 1 614 . 1 . 1 63 63 MET CB C 13 29.511 0.400 . 1 . . . . A 146 MET CB . 34811 1 615 . 1 . 1 63 63 MET CG C 13 29.383 0.400 . 1 . . . . A 146 MET CG . 34811 1 616 . 1 . 1 63 63 MET CE C 13 14.210 0.400 . 1 . . . . A 146 MET CE . 34811 1 617 . 1 . 1 64 64 GLU H H 1 8.649 0.020 . 1 . . . . A 147 GLU H . 34811 1 618 . 1 . 1 64 64 GLU HA H 1 4.061 0.020 . 1 . . . . A 147 GLU HA . 34811 1 619 . 1 . 1 64 64 GLU HB2 H 1 1.443 0.020 . 2 . . . . A 147 GLU HB2 . 34811 1 620 . 1 . 1 64 64 GLU HB3 H 1 2.041 0.020 . 2 . . . . A 147 GLU HB3 . 34811 1 621 . 1 . 1 64 64 GLU HG2 H 1 1.839 0.020 . 2 . . . . A 147 GLU HG2 . 34811 1 622 . 1 . 1 64 64 GLU HG3 H 1 2.034 0.020 . 2 . . . . A 147 GLU HG3 . 34811 1 623 . 1 . 1 64 64 GLU CA C 13 52.015 0.400 . 1 . . . . A 147 GLU CA . 34811 1 624 . 1 . 1 64 64 GLU CB C 13 29.944 0.400 . 1 . . . . A 147 GLU CB . 34811 1 625 . 1 . 1 64 64 GLU CG C 13 34.885 0.400 . 1 . . . . A 147 GLU CG . 34811 1 626 . 1 . 1 65 65 CYS H H 1 8.099 0.020 . 1 . . . . A 148 CYS H . 34811 1 627 . 1 . 1 65 65 CYS HA H 1 4.856 0.020 . 1 . . . . A 148 CYS HA . 34811 1 628 . 1 . 1 65 65 CYS HB2 H 1 2.516 0.020 . 2 . . . . A 148 CYS HB2 . 34811 1 629 . 1 . 1 65 65 CYS HB3 H 1 2.725 0.020 . 2 . . . . A 148 CYS HB3 . 34811 1 630 . 1 . 1 65 65 CYS CA C 13 49.504 0.400 . 1 . . . . A 148 CYS CA . 34811 1 631 . 1 . 1 65 65 CYS CB C 13 38.888 0.400 . 1 . . . . A 148 CYS CB . 34811 1 632 . 1 . 1 66 66 SER H H 1 8.200 0.020 . 1 . . . . A 149 SER H . 34811 1 633 . 1 . 1 66 66 SER HA H 1 4.831 0.020 . 1 . . . . A 149 SER HA . 34811 1 634 . 1 . 1 66 66 SER HB2 H 1 4.134 0.020 . 2 . . . . A 149 SER HB2 . 34811 1 635 . 1 . 1 66 66 SER CA C 13 59.746 0.400 . 1 . . . . A 149 SER CA . 34811 1 636 . 1 . 1 66 66 SER CB C 13 65.504 0.400 . 1 . . . . A 149 SER CB . 34811 1 637 . 1 . 1 67 67 LEU H H 1 8.094 0.020 . 1 . . . . A 150 LEU H . 34811 1 638 . 1 . 1 67 67 LEU HA H 1 4.305 0.020 . 1 . . . . A 150 LEU HA . 34811 1 639 . 1 . 1 67 67 LEU HB2 H 1 1.565 0.020 . 2 . . . . A 150 LEU HB2 . 34811 1 640 . 1 . 1 67 67 LEU HB3 H 1 1.625 0.020 . 2 . . . . A 150 LEU HB3 . 34811 1 641 . 1 . 1 67 67 LEU HG H 1 1.604 0.020 . 1 . . . . A 150 LEU HG . 34811 1 642 . 1 . 1 67 67 LEU HD11 H 1 0.870 0.020 . 2 . . . . A 150 LEU HD11 . 34811 1 643 . 1 . 1 67 67 LEU HD12 H 1 0.870 0.020 . 2 . . . . A 150 LEU HD12 . 34811 1 644 . 1 . 1 67 67 LEU HD13 H 1 0.870 0.020 . 2 . . . . A 150 LEU HD13 . 34811 1 645 . 1 . 1 67 67 LEU HD21 H 1 0.901 0.020 . 2 . . . . A 150 LEU HD21 . 34811 1 646 . 1 . 1 67 67 LEU HD22 H 1 0.901 0.020 . 2 . . . . A 150 LEU HD22 . 34811 1 647 . 1 . 1 67 67 LEU HD23 H 1 0.901 0.020 . 2 . . . . A 150 LEU HD23 . 34811 1 648 . 1 . 1 67 67 LEU CA C 13 52.942 0.400 . 1 . . . . A 150 LEU CA . 34811 1 649 . 1 . 1 67 67 LEU CB C 13 39.533 0.400 . 1 . . . . A 150 LEU CB . 34811 1 650 . 1 . 1 67 67 LEU CG C 13 24.378 0.400 . 1 . . . . A 150 LEU CG . 34811 1 651 . 1 . 1 67 67 LEU CD1 C 13 20.971 0.400 . 1 . . . . A 150 LEU CD1 . 34811 1 652 . 1 . 1 67 67 LEU CD2 C 13 22.351 0.400 . 1 . . . . A 150 LEU CD2 . 34811 1 653 . 1 . 1 68 68 GLN H H 1 8.131 0.020 . 1 . . . . A 151 GLN H . 34811 1 654 . 1 . 1 68 68 GLN HA H 1 4.260 0.020 . 1 . . . . A 151 GLN HA . 34811 1 655 . 1 . 1 68 68 GLN HB2 H 1 2.053 0.020 . 2 . . . . A 151 GLN HB2 . 34811 1 656 . 1 . 1 68 68 GLN HB3 H 1 1.882 0.020 . 2 . . . . A 151 GLN HB3 . 34811 1 657 . 1 . 1 68 68 GLN HG2 H 1 2.301 0.020 . 2 . . . . A 151 GLN HG2 . 34811 1 658 . 1 . 1 68 68 GLN HG3 H 1 2.301 0.020 . 2 . . . . A 151 GLN HG3 . 34811 1 659 . 1 . 1 68 68 GLN HE21 H 1 6.827 0.020 . 2 . . . . A 151 GLN HE21 . 34811 1 660 . 1 . 1 68 68 GLN HE22 H 1 7.465 0.020 . 2 . . . . A 151 GLN HE22 . 34811 1 661 . 1 . 1 68 68 GLN CA C 13 52.941 0.400 . 1 . . . . A 151 GLN CA . 34811 1 662 . 1 . 1 68 68 GLN CB C 13 26.010 0.400 . 1 . . . . A 151 GLN CB . 34811 1 663 . 1 . 1 68 68 GLN CG C 13 30.959 0.400 . 1 . . . . A 151 GLN CG . 34811 1 664 . 1 . 1 69 69 ALA H H 1 8.002 0.020 . 1 . . . . A 152 ALA H . 34811 1 665 . 1 . 1 69 69 ALA HA H 1 4.282 0.020 . 1 . . . . A 152 ALA HA . 34811 1 666 . 1 . 1 69 69 ALA HB1 H 1 1.368 0.020 . 1 . . . . A 152 ALA HB1 . 34811 1 667 . 1 . 1 69 69 ALA HB2 H 1 1.368 0.020 . 1 . . . . A 152 ALA HB2 . 34811 1 668 . 1 . 1 69 69 ALA HB3 H 1 1.368 0.020 . 1 . . . . A 152 ALA HB3 . 34811 1 669 . 1 . 1 69 69 ALA CA C 13 49.817 0.400 . 1 . . . . A 152 ALA CA . 34811 1 670 . 1 . 1 69 69 ALA CB C 13 16.807 0.400 . 1 . . . . A 152 ALA CB . 34811 1 671 . 1 . 1 70 70 LYS H H 1 8.172 0.020 . 1 . . . . A 153 LYS H . 34811 1 672 . 1 . 1 70 70 LYS HA H 1 4.584 0.020 . 1 . . . . A 153 LYS HA . 34811 1 673 . 1 . 1 70 70 LYS HB2 H 1 1.704 0.020 . 2 . . . . A 153 LYS HB2 . 34811 1 674 . 1 . 1 70 70 LYS HB3 H 1 1.831 0.020 . 2 . . . . A 153 LYS HB3 . 34811 1 675 . 1 . 1 70 70 LYS HG2 H 1 1.465 0.020 . 2 . . . . A 153 LYS HG2 . 34811 1 676 . 1 . 1 70 70 LYS HD2 H 1 1.691 0.020 . 2 . . . . A 153 LYS HD2 . 34811 1 677 . 1 . 1 70 70 LYS HE2 H 1 2.992 0.020 . 2 . . . . A 153 LYS HE2 . 34811 1 678 . 1 . 1 70 70 LYS CA C 13 51.429 0.400 . 1 . . . . A 153 LYS CA . 34811 1 679 . 1 . 1 70 70 LYS CB C 13 30.041 0.400 . 1 . . . . A 153 LYS CB . 34811 1 680 . 1 . 1 70 70 LYS CG C 13 21.575 0.400 . 1 . . . . A 153 LYS CG . 34811 1 681 . 1 . 1 70 70 LYS CD C 13 26.378 0.400 . 1 . . . . A 153 LYS CD . 34811 1 682 . 1 . 1 70 70 LYS CE C 13 39.454 0.400 . 1 . . . . A 153 LYS CE . 34811 1 683 . 1 . 1 71 71 PRO HA H 1 4.406 0.020 . 1 . . . . A 154 PRO HA . 34811 1 684 . 1 . 1 71 71 PRO HB2 H 1 1.842 0.020 . 2 . . . . A 154 PRO HB2 . 34811 1 685 . 1 . 1 71 71 PRO HB3 H 1 2.243 0.020 . 2 . . . . A 154 PRO HB3 . 34811 1 686 . 1 . 1 71 71 PRO HG2 H 1 2.004 0.020 . 2 . . . . A 154 PRO HG2 . 34811 1 687 . 1 . 1 71 71 PRO HG3 H 1 1.977 0.020 . 2 . . . . A 154 PRO HG3 . 34811 1 688 . 1 . 1 71 71 PRO HD2 H 1 3.613 0.020 . 2 . . . . A 154 PRO HD2 . 34811 1 689 . 1 . 1 71 71 PRO HD3 H 1 3.794 0.020 . 2 . . . . A 154 PRO HD3 . 34811 1 690 . 1 . 1 71 71 PRO CA C 13 60.030 0.400 . 1 . . . . A 154 PRO CA . 34811 1 691 . 1 . 1 71 71 PRO CB C 13 29.429 0.400 . 1 . . . . A 154 PRO CB . 34811 1 692 . 1 . 1 71 71 PRO CG C 13 24.709 0.400 . 1 . . . . A 154 PRO CG . 34811 1 693 . 1 . 1 71 71 PRO CD C 13 47.794 0.400 . 1 . . . . A 154 PRO CD . 34811 1 694 . 1 . 1 72 72 ALA H H 1 8.377 0.020 . 1 . . . . A 155 ALA H . 34811 1 695 . 1 . 1 72 72 ALA HA H 1 4.289 0.020 . 1 . . . . A 155 ALA HA . 34811 1 696 . 1 . 1 72 72 ALA HB1 H 1 1.331 0.020 . 1 . . . . A 155 ALA HB1 . 34811 1 697 . 1 . 1 72 72 ALA HB2 H 1 1.331 0.020 . 1 . . . . A 155 ALA HB2 . 34811 1 698 . 1 . 1 72 72 ALA HB3 H 1 1.331 0.020 . 1 . . . . A 155 ALA HB3 . 34811 1 699 . 1 . 1 72 72 ALA CA C 13 49.885 0.400 . 1 . . . . A 155 ALA CA . 34811 1 700 . 1 . 1 72 72 ALA CB C 13 16.702 0.400 . 1 . . . . A 155 ALA CB . 34811 1 701 . 1 . 1 73 73 VAL H H 1 7.975 0.020 . 1 . . . . A 156 VAL H . 34811 1 702 . 1 . 1 73 73 VAL HA H 1 4.418 0.020 . 1 . . . . A 156 VAL HA . 34811 1 703 . 1 . 1 73 73 VAL HB H 1 2.055 0.020 . 1 . . . . A 156 VAL HB . 34811 1 704 . 1 . 1 73 73 VAL HG11 H 1 0.903 0.020 . 2 . . . . A 156 VAL HG11 . 34811 1 705 . 1 . 1 73 73 VAL HG12 H 1 0.903 0.020 . 2 . . . . A 156 VAL HG12 . 34811 1 706 . 1 . 1 73 73 VAL HG13 H 1 0.903 0.020 . 2 . . . . A 156 VAL HG13 . 34811 1 707 . 1 . 1 73 73 VAL HG21 H 1 0.952 0.020 . 2 . . . . A 156 VAL HG21 . 34811 1 708 . 1 . 1 73 73 VAL HG22 H 1 0.952 0.020 . 2 . . . . A 156 VAL HG22 . 34811 1 709 . 1 . 1 73 73 VAL HG23 H 1 0.952 0.020 . 2 . . . . A 156 VAL HG23 . 34811 1 710 . 1 . 1 73 73 VAL CA C 13 56.606 0.400 . 1 . . . . A 156 VAL CA . 34811 1 711 . 1 . 1 73 73 VAL CB C 13 29.981 0.400 . 1 . . . . A 156 VAL CB . 34811 1 712 . 1 . 1 73 73 VAL CG1 C 13 17.383 0.400 . 1 . . . . A 156 VAL CG1 . 34811 1 713 . 1 . 1 73 73 VAL CG2 C 13 18.492 0.400 . 1 . . . . A 156 VAL CG2 . 34811 1 714 . 1 . 1 74 74 PRO HA H 1 4.452 0.020 . 1 . . . . A 157 PRO HA . 34811 1 715 . 1 . 1 74 74 PRO HB2 H 1 2.286 0.020 . 2 . . . . A 157 PRO HB2 . 34811 1 716 . 1 . 1 74 74 PRO HB3 H 1 2.286 0.020 . 2 . . . . A 157 PRO HB3 . 34811 1 717 . 1 . 1 74 74 PRO HG2 H 1 1.939 0.020 . 2 . . . . A 157 PRO HG2 . 34811 1 718 . 1 . 1 74 74 PRO HG3 H 1 2.256 0.020 . 2 . . . . A 157 PRO HG3 . 34811 1 719 . 1 . 1 74 74 PRO HD2 H 1 3.667 0.020 . 2 . . . . A 157 PRO HD2 . 34811 1 720 . 1 . 1 74 74 PRO HD3 H 1 3.842 0.020 . 2 . . . . A 157 PRO HD3 . 34811 1 721 . 1 . 1 74 74 PRO CA C 13 60.603 0.400 . 1 . . . . A 157 PRO CA . 34811 1 722 . 1 . 1 74 74 PRO CB C 13 29.422 0.400 . 1 . . . . A 157 PRO CB . 34811 1 723 . 1 . 1 74 74 PRO CG C 13 29.386 0.400 . 1 . . . . A 157 PRO CG . 34811 1 724 . 1 . 1 74 74 PRO CD C 13 48.292 0.400 . 1 . . . . A 157 PRO CD . 34811 1 725 . 1 . 1 75 75 THR H H 1 8.168 0.020 . 1 . . . . A 158 THR H . 34811 1 726 . 1 . 1 75 75 THR HA H 1 4.277 0.020 . 1 . . . . A 158 THR HA . 34811 1 727 . 1 . 1 75 75 THR HB H 1 4.228 0.020 . 1 . . . . A 158 THR HB . 34811 1 728 . 1 . 1 75 75 THR HG21 H 1 1.216 0.020 . 1 . . . . A 158 THR HG21 . 34811 1 729 . 1 . 1 75 75 THR HG22 H 1 1.216 0.020 . 1 . . . . A 158 THR HG22 . 34811 1 730 . 1 . 1 75 75 THR HG23 H 1 1.216 0.020 . 1 . . . . A 158 THR HG23 . 34811 1 731 . 1 . 1 75 75 THR CA C 13 59.746 0.400 . 1 . . . . A 158 THR CA . 34811 1 732 . 1 . 1 75 75 THR CB C 13 67.119 0.400 . 1 . . . . A 158 THR CB . 34811 1 733 . 1 . 1 75 75 THR CG2 C 13 18.914 0.400 . 1 . . . . A 158 THR CG2 . 34811 1 734 . 1 . 1 76 76 SER H H 1 7.941 0.020 . 1 . . . . A 159 SER H . 34811 1 735 . 1 . 1 77 77 LYS HA H 1 4.311 0.020 . 1 . . . . A 160 LYS HA . 34811 1 736 . 1 . 1 77 77 LYS HB2 H 1 1.701 0.020 . 2 . . . . A 160 LYS HB2 . 34811 1 737 . 1 . 1 77 77 LYS HB3 H 1 1.840 0.020 . 2 . . . . A 160 LYS HB3 . 34811 1 738 . 1 . 1 77 77 LYS HG2 H 1 1.387 0.020 . 2 . . . . A 160 LYS HG2 . 34811 1 739 . 1 . 1 77 77 LYS HG3 H 1 1.432 0.020 . 2 . . . . A 160 LYS HG3 . 34811 1 740 . 1 . 1 77 77 LYS HD2 H 1 1.649 0.020 . 2 . . . . A 160 LYS HD2 . 34811 1 741 . 1 . 1 77 77 LYS HE2 H 1 2.967 0.020 . 2 . . . . A 160 LYS HE2 . 34811 1 742 . 1 . 1 77 77 LYS HZ1 H 1 3.950 0.020 . 1 . . . . A 160 LYS HZ1 . 34811 1 743 . 1 . 1 77 77 LYS HZ2 H 1 3.950 0.020 . 1 . . . . A 160 LYS HZ2 . 34811 1 744 . 1 . 1 77 77 LYS HZ3 H 1 3.950 0.020 . 1 . . . . A 160 LYS HZ3 . 34811 1 745 . 1 . 1 77 77 LYS CA C 13 53.571 0.400 . 1 . . . . A 160 LYS CA . 34811 1 746 . 1 . 1 77 77 LYS CB C 13 29.908 0.400 . 1 . . . . A 160 LYS CB . 34811 1 747 . 1 . 1 77 77 LYS CG C 13 22.156 0.400 . 1 . . . . A 160 LYS CG . 34811 1 748 . 1 . 1 77 77 LYS CD C 13 26.450 0.400 . 1 . . . . A 160 LYS CD . 34811 1 749 . 1 . 1 77 77 LYS CE C 13 39.558 0.400 . 1 . . . . A 160 LYS CE . 34811 1 750 . 1 . 1 78 78 LEU H H 1 8.110 0.020 . 1 . . . . A 161 LEU H . 34811 1 751 . 1 . 1 78 78 LEU HA H 1 4.283 0.020 . 1 . . . . A 161 LEU HA . 34811 1 752 . 1 . 1 78 78 LEU HB2 H 1 1.609 0.020 . 2 . . . . A 161 LEU HB2 . 34811 1 753 . 1 . 1 78 78 LEU HD21 H 1 0.880 0.020 . 2 . . . . A 161 LEU HD21 . 34811 1 754 . 1 . 1 78 78 LEU HD22 H 1 0.880 0.020 . 2 . . . . A 161 LEU HD22 . 34811 1 755 . 1 . 1 78 78 LEU HD23 H 1 0.880 0.020 . 2 . . . . A 161 LEU HD23 . 34811 1 756 . 1 . 1 78 78 LEU CA C 13 52.947 0.400 . 1 . . . . A 161 LEU CA . 34811 1 757 . 1 . 1 78 78 LEU CB C 13 39.857 0.400 . 1 . . . . A 161 LEU CB . 34811 1 758 . 1 . 1 78 78 LEU CD2 C 13 22.365 0.400 . 1 . . . . A 161 LEU CD2 . 34811 1 759 . 1 . 1 79 79 GLY H H 1 7.633 0.020 . 1 . . . . A 162 GLY H . 34811 1 760 . 1 . 1 79 79 GLY HA2 H 1 3.823 0.020 . 2 . . . . A 162 GLY HA2 . 34811 1 761 . 1 . 1 79 79 GLY HA3 H 1 3.908 0.020 . 2 . . . . A 162 GLY HA3 . 34811 1 762 . 1 . 1 79 79 GLY CA C 13 44.542 0.400 . 1 . . . . A 162 GLY CA . 34811 1 763 . 1 . 1 80 80 GLN H H 1 8.440 0.020 . 1 . . . . A 163 GLN H . 34811 1 764 . 1 . 1 80 80 GLN HA H 1 4.253 0.020 . 1 . . . . A 163 GLN HA . 34811 1 765 . 1 . 1 80 80 GLN HB3 H 1 1.905 0.020 . 2 . . . . A 163 GLN HB3 . 34811 1 766 . 1 . 1 80 80 GLN HG2 H 1 2.265 0.020 . 2 . . . . A 163 GLN HG2 . 34811 1 767 . 1 . 1 80 80 GLN HG3 H 1 2.265 0.020 . 2 . . . . A 163 GLN HG3 . 34811 1 768 . 1 . 1 80 80 GLN HE21 H 1 6.721 0.020 . 2 . . . . A 163 GLN HE21 . 34811 1 769 . 1 . 1 80 80 GLN HE22 H 1 7.381 0.020 . 2 . . . . A 163 GLN HE22 . 34811 1 770 . 1 . 1 80 80 GLN CA C 13 53.117 0.400 . 1 . . . . A 163 GLN CA . 34811 1 771 . 1 . 1 80 80 GLN CB C 13 26.248 0.400 . 1 . . . . A 163 GLN CB . 34811 1 772 . 1 . 1 80 80 GLN CG C 13 31.043 0.400 . 1 . . . . A 163 GLN CG . 34811 1 773 . 1 . 1 81 81 ALA H H 1 8.035 0.020 . 1 . . . . A 164 ALA H . 34811 1 774 . 1 . 1 81 81 ALA HA H 1 4.264 0.020 . 1 . . . . A 164 ALA HA . 34811 1 775 . 1 . 1 81 81 ALA HB1 H 1 1.353 0.020 . 1 . . . . A 164 ALA HB1 . 34811 1 776 . 1 . 1 81 81 ALA HB2 H 1 1.353 0.020 . 1 . . . . A 164 ALA HB2 . 34811 1 777 . 1 . 1 81 81 ALA HB3 H 1 1.353 0.020 . 1 . . . . A 164 ALA HB3 . 34811 1 778 . 1 . 1 81 81 ALA CA C 13 49.774 0.400 . 1 . . . . A 164 ALA CA . 34811 1 779 . 1 . 1 81 81 ALA CB C 13 16.594 0.400 . 1 . . . . A 164 ALA CB . 34811 1 780 . 1 . 1 82 82 GLU H H 1 8.354 0.020 . 1 . . . . A 165 GLU H . 34811 1 781 . 1 . 1 82 82 GLU HA H 1 4.251 0.020 . 1 . . . . A 165 GLU HA . 34811 1 782 . 1 . 1 82 82 GLU HB2 H 1 1.930 0.020 . 2 . . . . A 165 GLU HB2 . 34811 1 783 . 1 . 1 82 82 GLU HB3 H 1 2.038 0.020 . 2 . . . . A 165 GLU HB3 . 34811 1 784 . 1 . 1 82 82 GLU HG2 H 1 2.241 0.020 . 2 . . . . A 165 GLU HG2 . 34811 1 785 . 1 . 1 82 82 GLU HG3 H 1 2.241 0.020 . 2 . . . . A 165 GLU HG3 . 34811 1 786 . 1 . 1 82 82 GLU CA C 13 54.174 0.400 . 1 . . . . A 165 GLU CA . 34811 1 787 . 1 . 1 82 82 GLU CB C 13 27.699 0.400 . 1 . . . . A 165 GLU CB . 34811 1 788 . 1 . 1 82 82 GLU CG C 13 33.608 0.400 . 1 . . . . A 165 GLU CG . 34811 1 789 . 1 . 1 83 83 GLY H H 1 8.391 0.020 . 1 . . . . A 166 GLY H . 34811 1 790 . 1 . 1 83 83 GLY HA2 H 1 3.935 0.020 . 2 . . . . A 166 GLY HA2 . 34811 1 791 . 1 . 1 83 83 GLY CA C 13 42.635 0.400 . 1 . . . . A 166 GLY CA . 34811 1 792 . 1 . 1 84 84 ARG H H 1 8.100 0.020 . 1 . . . . A 167 ARG H . 34811 1 793 . 1 . 1 84 84 ARG HA H 1 4.318 0.020 . 1 . . . . A 167 ARG HA . 34811 1 794 . 1 . 1 84 84 ARG HB2 H 1 1.746 0.020 . 2 . . . . A 167 ARG HB2 . 34811 1 795 . 1 . 1 84 84 ARG HB3 H 1 1.825 0.020 . 2 . . . . A 167 ARG HB3 . 34811 1 796 . 1 . 1 84 84 ARG HG2 H 1 1.574 0.020 . 2 . . . . A 167 ARG HG2 . 34811 1 797 . 1 . 1 84 84 ARG HG3 H 1 1.816 0.020 . 2 . . . . A 167 ARG HG3 . 34811 1 798 . 1 . 1 84 84 ARG HD2 H 1 3.149 0.020 . 2 . . . . A 167 ARG HD2 . 34811 1 799 . 1 . 1 84 84 ARG HE H 1 7.269 0.020 . 1 . . . . A 167 ARG HE . 34811 1 800 . 1 . 1 84 84 ARG HH11 H 1 7.269 0.020 . 2 . . . . A 167 ARG HH11 . 34811 1 801 . 1 . 1 84 84 ARG HH12 H 1 7.269 0.020 . 2 . . . . A 167 ARG HH12 . 34811 1 802 . 1 . 1 84 84 ARG HH21 H 1 7.304 0.020 . 2 . . . . A 167 ARG HH21 . 34811 1 803 . 1 . 1 84 84 ARG HH22 H 1 7.304 0.020 . 2 . . . . A 167 ARG HH22 . 34811 1 804 . 1 . 1 84 84 ARG CA C 13 53.442 0.400 . 1 . . . . A 167 ARG CA . 34811 1 805 . 1 . 1 84 84 ARG CB C 13 28.300 0.400 . 1 . . . . A 167 ARG CB . 34811 1 806 . 1 . 1 84 84 ARG CG C 13 28.299 0.400 . 1 . . . . A 167 ARG CG . 34811 1 807 . 1 . 1 84 84 ARG CD C 13 40.485 0.400 . 1 . . . . A 167 ARG CD . 34811 1 808 . 1 . 1 85 85 ASP H H 1 8.379 0.020 . 1 . . . . A 168 ASP H . 34811 1 809 . 1 . 1 85 85 ASP HA H 1 4.576 0.020 . 1 . . . . A 168 ASP HA . 34811 1 810 . 1 . 1 85 85 ASP HB2 H 1 2.618 0.020 . 2 . . . . A 168 ASP HB2 . 34811 1 811 . 1 . 1 85 85 ASP HB3 H 1 2.704 0.020 . 2 . . . . A 168 ASP HB3 . 34811 1 812 . 1 . 1 85 85 ASP CA C 13 51.553 0.400 . 1 . . . . A 168 ASP CA . 34811 1 813 . 1 . 1 85 85 ASP CB C 13 38.287 0.400 . 1 . . . . A 168 ASP CB . 34811 1 814 . 1 . 1 86 86 ALA H H 1 8.260 0.020 . 1 . . . . A 169 ALA H . 34811 1 815 . 1 . 1 86 86 ALA HA H 1 4.258 0.020 . 1 . . . . A 169 ALA HA . 34811 1 816 . 1 . 1 86 86 ALA HB1 H 1 1.348 0.020 . 1 . . . . A 169 ALA HB1 . 34811 1 817 . 1 . 1 86 86 ALA HB2 H 1 1.348 0.020 . 1 . . . . A 169 ALA HB2 . 34811 1 818 . 1 . 1 86 86 ALA HB3 H 1 1.348 0.020 . 1 . . . . A 169 ALA HB3 . 34811 1 819 . 1 . 1 86 86 ALA CA C 13 49.954 0.400 . 1 . . . . A 169 ALA CA . 34811 1 820 . 1 . 1 86 86 ALA CB C 13 16.300 0.400 . 1 . . . . A 169 ALA CB . 34811 1 821 . 1 . 1 87 87 GLY H H 1 8.387 0.020 . 1 . . . . A 170 GLY H . 34811 1 822 . 1 . 1 87 87 GLY HA2 H 1 3.947 0.020 . 2 . . . . A 170 GLY HA2 . 34811 1 823 . 1 . 1 87 87 GLY CA C 13 42.910 0.400 . 1 . . . . A 170 GLY CA . 34811 1 824 . 1 . 1 88 88 SER H H 1 8.012 0.020 . 1 . . . . A 171 SER H . 34811 1 825 . 1 . 1 88 88 SER HA H 1 4.453 0.020 . 1 . . . . A 171 SER HA . 34811 1 826 . 1 . 1 88 88 SER HB2 H 1 3.822 0.020 . 2 . . . . A 171 SER HB2 . 34811 1 827 . 1 . 1 88 88 SER HB3 H 1 4.457 0.020 . 2 . . . . A 171 SER HB3 . 34811 1 828 . 1 . 1 88 88 SER HG H 1 4.949 0.020 . 1 . . . . A 171 SER HG . 34811 1 829 . 1 . 1 88 88 SER CA C 13 55.036 0.400 . 1 . . . . A 171 SER CA . 34811 1 830 . 1 . 1 88 88 SER CB C 13 61.291 0.400 . 1 . . . . A 171 SER CB . 34811 1 831 . 1 . 1 89 89 ALA H H 1 8.228 0.020 . 1 . . . . A 172 ALA H . 34811 1 832 . 1 . 1 89 89 ALA HA H 1 4.573 0.020 . 1 . . . . A 172 ALA HA . 34811 1 833 . 1 . 1 89 89 ALA HB1 H 1 1.322 0.020 . 1 . . . . A 172 ALA HB1 . 34811 1 834 . 1 . 1 89 89 ALA HB2 H 1 1.322 0.020 . 1 . . . . A 172 ALA HB2 . 34811 1 835 . 1 . 1 89 89 ALA HB3 H 1 1.322 0.020 . 1 . . . . A 172 ALA HB3 . 34811 1 836 . 1 . 1 89 89 ALA CA C 13 47.881 0.400 . 1 . . . . A 172 ALA CA . 34811 1 837 . 1 . 1 89 89 ALA CB C 13 15.257 0.400 . 1 . . . . A 172 ALA CB . 34811 1 838 . 1 . 1 90 90 PRO HA H 1 4.406 0.020 . 1 . . . . A 173 PRO HA . 34811 1 839 . 1 . 1 90 90 PRO HB2 H 1 1.899 0.020 . 2 . . . . A 173 PRO HB2 . 34811 1 840 . 1 . 1 90 90 PRO HB3 H 1 2.235 0.020 . 2 . . . . A 173 PRO HB3 . 34811 1 841 . 1 . 1 90 90 PRO HG2 H 1 1.985 0.020 . 2 . . . . A 173 PRO HG2 . 34811 1 842 . 1 . 1 90 90 PRO HD2 H 1 3.587 0.020 . 2 . . . . A 173 PRO HD2 . 34811 1 843 . 1 . 1 90 90 PRO HD3 H 1 3.735 0.020 . 2 . . . . A 173 PRO HD3 . 34811 1 844 . 1 . 1 90 90 PRO CA C 13 60.505 0.400 . 1 . . . . A 173 PRO CA . 34811 1 845 . 1 . 1 90 90 PRO CG C 13 24.155 0.400 . 1 . . . . A 173 PRO CG . 34811 1 846 . 1 . 1 90 90 PRO CD C 13 47.753 0.400 . 1 . . . . A 173 PRO CD . 34811 1 847 . 1 . 1 91 91 SER H H 1 8.368 0.020 . 1 . . . . A 174 SER H . 34811 1 848 . 1 . 1 91 91 SER HA H 1 4.423 0.020 . 1 . . . . A 174 SER HA . 34811 1 849 . 1 . 1 91 91 SER HB2 H 1 3.831 0.020 . 2 . . . . A 174 SER HB2 . 34811 1 850 . 1 . 1 91 91 SER CA C 13 55.687 0.400 . 1 . . . . A 174 SER CA . 34811 1 851 . 1 . 1 91 91 SER CB C 13 61.383 0.400 . 1 . . . . A 174 SER CB . 34811 1 852 . 1 . 1 92 92 GLY H H 1 8.346 0.020 . 1 . . . . A 175 GLY H . 34811 1 853 . 1 . 1 92 92 GLY HA2 H 1 3.925 0.020 . 2 . . . . A 175 GLY HA2 . 34811 1 854 . 1 . 1 92 92 GLY HA3 H 1 4.049 0.020 . 2 . . . . A 175 GLY HA3 . 34811 1 855 . 1 . 1 92 92 GLY CA C 13 42.780 0.400 . 1 . . . . A 175 GLY CA . 34811 1 856 . 1 . 1 93 93 GLY HA2 H 1 3.789 0.020 . 2 . . . . A 176 GLY HA2 . 34811 1 857 . 1 . 1 93 93 GLY HA3 H 1 3.928 0.020 . 2 . . . . A 176 GLY HA3 . 34811 1 858 . 1 . 1 93 93 GLY CA C 13 42.418 0.400 . 1 . . . . A 176 GLY CA . 34811 1 859 . 1 . 1 94 94 ASP H H 1 8.104 0.020 . 1 . . . . A 177 ASP H . 34811 1 860 . 1 . 1 94 94 ASP HA H 1 4.844 0.020 . 1 . . . . A 177 ASP HA . 34811 1 861 . 1 . 1 94 94 ASP HB2 H 1 2.709 0.020 . 2 . . . . A 177 ASP HB2 . 34811 1 862 . 1 . 1 94 94 ASP HB3 H 1 2.525 0.020 . 2 . . . . A 177 ASP HB3 . 34811 1 863 . 1 . 1 94 94 ASP CA C 13 49.429 0.400 . 1 . . . . A 177 ASP CA . 34811 1 864 . 1 . 1 94 94 ASP CB C 13 38.836 0.400 . 1 . . . . A 177 ASP CB . 34811 1 865 . 1 . 1 95 95 PRO HA H 1 4.242 0.020 . 1 . . . . A 178 PRO HA . 34811 1 866 . 1 . 1 95 95 PRO HB2 H 1 1.848 0.020 . 2 . . . . A 178 PRO HB2 . 34811 1 867 . 1 . 1 95 95 PRO HB3 H 1 2.188 0.020 . 2 . . . . A 178 PRO HB3 . 34811 1 868 . 1 . 1 95 95 PRO HG2 H 1 1.968 0.020 . 2 . . . . A 178 PRO HG2 . 34811 1 869 . 1 . 1 95 95 PRO HD2 H 1 3.791 0.020 . 2 . . . . A 178 PRO HD2 . 34811 1 870 . 1 . 1 95 95 PRO HD3 H 1 3.865 0.020 . 2 . . . . A 178 PRO HD3 . 34811 1 871 . 1 . 1 95 95 PRO CA C 13 61.361 0.400 . 1 . . . . A 178 PRO CA . 34811 1 872 . 1 . 1 95 95 PRO CB C 13 28.865 0.400 . 1 . . . . A 178 PRO CB . 34811 1 873 . 1 . 1 95 95 PRO CG C 13 24.155 0.400 . 1 . . . . A 178 PRO CG . 34811 1 874 . 1 . 1 95 95 PRO CD C 13 48.273 0.400 . 1 . . . . A 178 PRO CD . 34811 1 875 . 1 . 1 96 96 ALA H H 1 8.358 0.020 . 1 . . . . A 179 ALA H . 34811 1 876 . 1 . 1 96 96 ALA HA H 1 4.130 0.020 . 1 . . . . A 179 ALA HA . 34811 1 877 . 1 . 1 96 96 ALA HB1 H 1 1.258 0.020 . 1 . . . . A 179 ALA HB1 . 34811 1 878 . 1 . 1 96 96 ALA HB2 H 1 1.258 0.020 . 1 . . . . A 179 ALA HB2 . 34811 1 879 . 1 . 1 96 96 ALA HB3 H 1 1.258 0.020 . 1 . . . . A 179 ALA HB3 . 34811 1 880 . 1 . 1 96 96 ALA CA C 13 50.325 0.400 . 1 . . . . A 179 ALA CA . 34811 1 881 . 1 . 1 96 96 ALA CB C 13 15.841 0.400 . 1 . . . . A 179 ALA CB . 34811 1 882 . 1 . 1 97 97 PHE H H 1 7.816 0.020 . 1 . . . . A 180 PHE H . 34811 1 883 . 1 . 1 97 97 PHE HA H 1 4.548 0.020 . 1 . . . . A 180 PHE HA . 34811 1 884 . 1 . 1 97 97 PHE HB2 H 1 3.103 0.020 . 2 . . . . A 180 PHE HB2 . 34811 1 885 . 1 . 1 97 97 PHE HD1 H 1 7.243 0.020 . 3 . . . . A 180 PHE HD1 . 34811 1 886 . 1 . 1 97 97 PHE HD2 H 1 7.243 0.020 . 3 . . . . A 180 PHE HD2 . 34811 1 887 . 1 . 1 97 97 PHE HZ H 1 6.643 0.020 . 1 . . . . A 180 PHE HZ . 34811 1 888 . 1 . 1 97 97 PHE CA C 13 55.534 0.400 . 1 . . . . A 180 PHE CA . 34811 1 889 . 1 . 1 97 97 PHE CB C 13 36.896 0.400 . 1 . . . . A 180 PHE CB . 34811 1 890 . 1 . 1 97 97 PHE CD1 C 13 78.582 0.400 . 1 . . . . A 180 PHE CD1 . 34811 1 891 . 1 . 1 97 97 PHE CE2 C 13 105.649 0.400 . 1 . . . . A 180 PHE CE2 . 34811 1 892 . 1 . 1 97 97 PHE CZ C 13 65.504 0.400 . 1 . . . . A 180 PHE CZ . 34811 1 893 . 1 . 1 98 98 LEU H H 1 7.947 0.020 . 1 . . . . A 181 LEU H . 34811 1 894 . 1 . 1 98 98 LEU HA H 1 4.130 0.020 . 1 . . . . A 181 LEU HA . 34811 1 895 . 1 . 1 98 98 LEU HB2 H 1 1.347 0.020 . 2 . . . . A 181 LEU HB2 . 34811 1 896 . 1 . 1 98 98 LEU HB3 H 1 1.505 0.020 . 2 . . . . A 181 LEU HB3 . 34811 1 897 . 1 . 1 98 98 LEU HG H 1 1.537 0.020 . 1 . . . . A 181 LEU HG . 34811 1 898 . 1 . 1 98 98 LEU HD11 H 1 0.787 0.020 . 2 . . . . A 181 LEU HD11 . 34811 1 899 . 1 . 1 98 98 LEU HD12 H 1 0.787 0.020 . 2 . . . . A 181 LEU HD12 . 34811 1 900 . 1 . 1 98 98 LEU HD13 H 1 0.787 0.020 . 2 . . . . A 181 LEU HD13 . 34811 1 901 . 1 . 1 98 98 LEU HD21 H 1 0.772 0.020 . 2 . . . . A 181 LEU HD21 . 34811 1 902 . 1 . 1 98 98 LEU HD22 H 1 0.772 0.020 . 2 . . . . A 181 LEU HD22 . 34811 1 903 . 1 . 1 98 98 LEU HD23 H 1 0.772 0.020 . 2 . . . . A 181 LEU HD23 . 34811 1 904 . 1 . 1 98 98 LEU CA C 13 52.401 0.400 . 1 . . . . A 181 LEU CA . 34811 1 905 . 1 . 1 98 98 LEU CB C 13 40.306 0.400 . 1 . . . . A 181 LEU CB . 34811 1 906 . 1 . 1 98 98 LEU CG C 13 26.654 0.400 . 1 . . . . A 181 LEU CG . 34811 1 907 . 1 . 1 98 98 LEU CD1 C 13 20.033 0.400 . 1 . . . . A 181 LEU CD1 . 34811 1 908 . 1 . 1 98 98 LEU CD2 C 13 23.187 0.400 . 1 . . . . A 181 LEU CD2 . 34811 1 909 . 1 . 1 99 99 GLY H H 1 6.800 0.020 . 1 . . . . A 182 GLY H . 34811 1 910 . 1 . 1 99 99 GLY HA2 H 1 3.581 0.020 . 2 . . . . A 182 GLY HA2 . 34811 1 911 . 1 . 1 99 99 GLY HA3 H 1 4.222 0.020 . 2 . . . . A 182 GLY HA3 . 34811 1 912 . 1 . 1 99 99 GLY CA C 13 41.427 0.400 . 1 . . . . A 182 GLY CA . 34811 1 913 . 1 . 1 100 100 MET H H 1 8.723 0.020 . 1 . . . . A 183 MET H . 34811 1 914 . 1 . 1 100 100 MET HA H 1 4.070 0.020 . 1 . . . . A 183 MET HA . 34811 1 915 . 1 . 1 100 100 MET HB2 H 1 2.005 0.020 . 2 . . . . A 183 MET HB2 . 34811 1 916 . 1 . 1 100 100 MET HB3 H 1 2.108 0.020 . 2 . . . . A 183 MET HB3 . 34811 1 917 . 1 . 1 100 100 MET HG2 H 1 2.497 0.020 . 2 . . . . A 183 MET HG2 . 34811 1 918 . 1 . 1 100 100 MET HG3 H 1 2.647 0.020 . 2 . . . . A 183 MET HG3 . 34811 1 919 . 1 . 1 100 100 MET HE1 H 1 2.037 0.020 . 1 . . . . A 183 MET HE1 . 34811 1 920 . 1 . 1 100 100 MET HE2 H 1 2.037 0.020 . 1 . . . . A 183 MET HE2 . 34811 1 921 . 1 . 1 100 100 MET HE3 H 1 2.037 0.020 . 1 . . . . A 183 MET HE3 . 34811 1 922 . 1 . 1 100 100 MET CA C 13 55.559 0.400 . 1 . . . . A 183 MET CA . 34811 1 923 . 1 . 1 100 100 MET CB C 13 29.436 0.400 . 1 . . . . A 183 MET CB . 34811 1 924 . 1 . 1 100 100 MET CG C 13 29.388 0.400 . 1 . . . . A 183 MET CG . 34811 1 925 . 1 . 1 100 100 MET CE C 13 14.247 0.400 . 1 . . . . A 183 MET CE . 34811 1 926 . 1 . 1 101 101 ALA H H 1 8.758 0.020 . 1 . . . . A 184 ALA H . 34811 1 927 . 1 . 1 101 101 ALA HB1 H 1 1.352 0.020 . 1 . . . . A 184 ALA HB1 . 34811 1 928 . 1 . 1 101 101 ALA HB2 H 1 1.352 0.020 . 1 . . . . A 184 ALA HB2 . 34811 1 929 . 1 . 1 101 101 ALA HB3 H 1 1.352 0.020 . 1 . . . . A 184 ALA HB3 . 34811 1 930 . 1 . 1 101 101 ALA CB C 13 16.557 0.400 . 1 . . . . A 184 ALA CB . 34811 1 931 . 1 . 1 102 102 VAL H H 1 9.034 0.020 . 1 . . . . A 185 VAL H . 34811 1 932 . 1 . 1 102 102 VAL HA H 1 3.224 0.020 . 1 . . . . A 185 VAL HA . 34811 1 933 . 1 . 1 102 102 VAL HB H 1 1.919 0.020 . 1 . . . . A 185 VAL HB . 34811 1 934 . 1 . 1 102 102 VAL HG11 H 1 0.731 0.020 . 2 . . . . A 185 VAL HG11 . 34811 1 935 . 1 . 1 102 102 VAL HG12 H 1 0.731 0.020 . 2 . . . . A 185 VAL HG12 . 34811 1 936 . 1 . 1 102 102 VAL HG13 H 1 0.731 0.020 . 2 . . . . A 185 VAL HG13 . 34811 1 937 . 1 . 1 102 102 VAL HG21 H 1 0.883 0.020 . 2 . . . . A 185 VAL HG21 . 34811 1 938 . 1 . 1 102 102 VAL HG22 H 1 0.883 0.020 . 2 . . . . A 185 VAL HG22 . 34811 1 939 . 1 . 1 102 102 VAL HG23 H 1 0.883 0.020 . 2 . . . . A 185 VAL HG23 . 34811 1 940 . 1 . 1 102 102 VAL CA C 13 64.434 0.400 . 1 . . . . A 185 VAL CA . 34811 1 941 . 1 . 1 102 102 VAL CB C 13 27.927 0.400 . 1 . . . . A 185 VAL CB . 34811 1 942 . 1 . 1 102 102 VAL CG1 C 13 20.138 0.400 . 1 . . . . A 185 VAL CG1 . 34811 1 943 . 1 . 1 102 102 VAL CG2 C 13 21.481 0.400 . 1 . . . . A 185 VAL CG2 . 34811 1 944 . 1 . 1 103 103 SER H H 1 7.691 0.020 . 1 . . . . A 186 SER H . 34811 1 945 . 1 . 1 103 103 SER HA H 1 3.849 0.020 . 1 . . . . A 186 SER HA . 34811 1 946 . 1 . 1 103 103 SER HB2 H 1 3.823 0.020 . 2 . . . . A 186 SER HB2 . 34811 1 947 . 1 . 1 103 103 SER CA C 13 59.996 0.400 . 1 . . . . A 186 SER CA . 34811 1 948 . 1 . 1 103 103 SER CB C 13 59.926 0.400 . 1 . . . . A 186 SER CB . 34811 1 949 . 1 . 1 104 104 THR H H 1 7.660 0.020 . 1 . . . . A 187 THR H . 34811 1 950 . 1 . 1 104 104 THR HA H 1 3.957 0.020 . 1 . . . . A 187 THR HA . 34811 1 951 . 1 . 1 104 104 THR HB H 1 4.182 0.020 . 1 . . . . A 187 THR HB . 34811 1 952 . 1 . 1 104 104 THR HG1 H 1 0.750 0.020 . 1 . . . . A 187 THR HG1 . 34811 1 953 . 1 . 1 104 104 THR HG21 H 1 1.120 0.020 . 1 . . . . A 187 THR HG21 . 34811 1 954 . 1 . 1 104 104 THR HG22 H 1 1.120 0.020 . 1 . . . . A 187 THR HG22 . 34811 1 955 . 1 . 1 104 104 THR HG23 H 1 1.120 0.020 . 1 . . . . A 187 THR HG23 . 34811 1 956 . 1 . 1 104 104 THR CA C 13 63.398 0.400 . 1 . . . . A 187 THR CA . 34811 1 957 . 1 . 1 104 104 THR CB C 13 66.261 0.400 . 1 . . . . A 187 THR CB . 34811 1 958 . 1 . 1 104 104 THR CG2 C 13 18.428 0.400 . 1 . . . . A 187 THR CG2 . 34811 1 959 . 1 . 1 105 105 LEU H H 1 7.936 0.020 . 1 . . . . A 188 LEU H . 34811 1 960 . 1 . 1 105 105 LEU HA H 1 4.178 0.020 . 1 . . . . A 188 LEU HA . 34811 1 961 . 1 . 1 105 105 LEU HB2 H 1 1.360 0.020 . 2 . . . . A 188 LEU HB2 . 34811 1 962 . 1 . 1 105 105 LEU HB3 H 1 1.360 0.020 . 2 . . . . A 188 LEU HB3 . 34811 1 963 . 1 . 1 105 105 LEU HG H 1 1.784 0.020 . 1 . . . . A 188 LEU HG . 34811 1 964 . 1 . 1 105 105 LEU HD11 H 1 0.753 0.020 . 2 . . . . A 188 LEU HD11 . 34811 1 965 . 1 . 1 105 105 LEU HD12 H 1 0.753 0.020 . 2 . . . . A 188 LEU HD12 . 34811 1 966 . 1 . 1 105 105 LEU HD13 H 1 0.753 0.020 . 2 . . . . A 188 LEU HD13 . 34811 1 967 . 1 . 1 105 105 LEU HD21 H 1 0.734 0.020 . 2 . . . . A 188 LEU HD21 . 34811 1 968 . 1 . 1 105 105 LEU HD22 H 1 0.734 0.020 . 2 . . . . A 188 LEU HD22 . 34811 1 969 . 1 . 1 105 105 LEU HD23 H 1 0.734 0.020 . 2 . . . . A 188 LEU HD23 . 34811 1 970 . 1 . 1 105 105 LEU CA C 13 53.989 0.400 . 1 . . . . A 188 LEU CA . 34811 1 971 . 1 . 1 105 105 LEU CB C 13 39.857 0.400 . 1 . . . . A 188 LEU CB . 34811 1 972 . 1 . 1 105 105 LEU CG C 13 23.631 0.400 . 1 . . . . A 188 LEU CG . 34811 1 973 . 1 . 1 105 105 LEU CD1 C 13 19.625 0.400 . 1 . . . . A 188 LEU CD1 . 34811 1 974 . 1 . 1 105 105 LEU CD2 C 13 23.197 0.400 . 1 . . . . A 188 LEU CD2 . 34811 1 975 . 1 . 1 106 106 CYS H H 1 8.114 0.020 . 1 . . . . A 189 CYS H . 34811 1 976 . 1 . 1 106 106 CYS HA H 1 3.860 0.020 . 1 . . . . A 189 CYS HA . 34811 1 977 . 1 . 1 106 106 CYS HB2 H 1 2.948 0.020 . 2 . . . . A 189 CYS HB2 . 34811 1 978 . 1 . 1 106 106 CYS HB3 H 1 2.989 0.020 . 2 . . . . A 189 CYS HB3 . 34811 1 979 . 1 . 1 106 106 CYS CB C 13 40.380 0.400 . 1 . . . . A 189 CYS CB . 34811 1 980 . 1 . 1 107 107 GLY H H 1 7.452 0.020 . 1 . . . . A 190 GLY H . 34811 1 981 . 1 . 1 107 107 GLY HA2 H 1 3.821 0.020 . 2 . . . . A 190 GLY HA2 . 34811 1 982 . 1 . 1 107 107 GLY HA3 H 1 3.902 0.020 . 2 . . . . A 190 GLY HA3 . 34811 1 983 . 1 . 1 107 107 GLY CA C 13 44.595 0.400 . 1 . . . . A 190 GLY CA . 34811 1 984 . 1 . 1 108 108 GLU H H 1 8.450 0.020 . 1 . . . . A 191 GLU H . 34811 1 985 . 1 . 1 108 108 GLU HA H 1 4.404 0.020 . 1 . . . . A 191 GLU HA . 34811 1 986 . 1 . 1 108 108 GLU HB2 H 1 1.772 0.020 . 2 . . . . A 191 GLU HB2 . 34811 1 987 . 1 . 1 108 108 GLU HB3 H 1 2.222 0.020 . 2 . . . . A 191 GLU HB3 . 34811 1 988 . 1 . 1 108 108 GLU HG2 H 1 2.159 0.020 . 2 . . . . A 191 GLU HG2 . 34811 1 989 . 1 . 1 108 108 GLU HG3 H 1 2.159 0.020 . 2 . . . . A 191 GLU HG3 . 34811 1 990 . 1 . 1 108 108 GLU CA C 13 53.072 0.400 . 1 . . . . A 191 GLU CA . 34811 1 991 . 1 . 1 108 108 GLU CB C 13 27.221 0.400 . 1 . . . . A 191 GLU CB . 34811 1 992 . 1 . 1 108 108 GLU CG C 13 33.613 0.400 . 1 . . . . A 191 GLU CG . 34811 1 993 . 1 . 1 109 109 VAL H H 1 7.201 0.020 . 1 . . . . A 192 VAL H . 34811 1 994 . 1 . 1 109 109 VAL HA H 1 4.910 0.020 . 1 . . . . A 192 VAL HA . 34811 1 995 . 1 . 1 109 109 VAL HB H 1 2.203 0.020 . 1 . . . . A 192 VAL HB . 34811 1 996 . 1 . 1 109 109 VAL HG11 H 1 0.630 0.020 . 2 . . . . A 192 VAL HG11 . 34811 1 997 . 1 . 1 109 109 VAL HG12 H 1 0.630 0.020 . 2 . . . . A 192 VAL HG12 . 34811 1 998 . 1 . 1 109 109 VAL HG13 H 1 0.630 0.020 . 2 . . . . A 192 VAL HG13 . 34811 1 999 . 1 . 1 109 109 VAL HG21 H 1 0.721 0.020 . 2 . . . . A 192 VAL HG21 . 34811 1 1000 . 1 . 1 109 109 VAL HG22 H 1 0.721 0.020 . 2 . . . . A 192 VAL HG22 . 34811 1 1001 . 1 . 1 109 109 VAL HG23 H 1 0.721 0.020 . 2 . . . . A 192 VAL HG23 . 34811 1 1002 . 1 . 1 109 109 VAL CA C 13 53.465 0.400 . 1 . . . . A 192 VAL CA . 34811 1 1003 . 1 . 1 109 109 VAL CB C 13 29.486 0.400 . 1 . . . . A 192 VAL CB . 34811 1 1004 . 1 . 1 109 109 VAL CG1 C 13 15.828 0.400 . 1 . . . . A 192 VAL CG1 . 34811 1 1005 . 1 . 1 109 109 VAL CG2 C 13 18.397 0.400 . 1 . . . . A 192 VAL CG2 . 34811 1 1006 . 1 . 1 110 110 PRO HA H 1 4.114 0.020 . 1 . . . . A 193 PRO HA . 34811 1 1007 . 1 . 1 110 110 PRO HB2 H 1 1.417 0.020 . 2 . . . . A 193 PRO HB2 . 34811 1 1008 . 1 . 1 110 110 PRO HB3 H 1 1.449 0.020 . 2 . . . . A 193 PRO HB3 . 34811 1 1009 . 1 . 1 110 110 PRO HG2 H 1 1.908 0.020 . 2 . . . . A 193 PRO HG2 . 34811 1 1010 . 1 . 1 110 110 PRO HG3 H 1 2.025 0.020 . 2 . . . . A 193 PRO HG3 . 34811 1 1011 . 1 . 1 110 110 PRO HD2 H 1 3.617 0.020 . 2 . . . . A 193 PRO HD2 . 34811 1 1012 . 1 . 1 110 110 PRO HD3 H 1 4.014 0.020 . 2 . . . . A 193 PRO HD3 . 34811 1 1013 . 1 . 1 110 110 PRO CA C 13 60.337 0.400 . 1 . . . . A 193 PRO CA . 34811 1 1014 . 1 . 1 110 110 PRO CB C 13 29.389 0.400 . 1 . . . . A 193 PRO CB . 34811 1 1015 . 1 . 1 110 110 PRO CG C 13 25.166 0.400 . 1 . . . . A 193 PRO CG . 34811 1 1016 . 1 . 1 110 110 PRO CD C 13 47.185 0.400 . 1 . . . . A 193 PRO CD . 34811 1 1017 . 1 . 1 111 111 LEU H H 1 7.555 0.020 . 1 . . . . A 194 LEU H . 34811 1 1018 . 1 . 1 111 111 LEU HB2 H 1 0.847 0.020 . 2 . . . . A 194 LEU HB2 . 34811 1 1019 . 1 . 1 111 111 LEU HB3 H 1 1.562 0.020 . 2 . . . . A 194 LEU HB3 . 34811 1 1020 . 1 . 1 111 111 LEU HG H 1 0.636 0.020 . 1 . . . . A 194 LEU HG . 34811 1 1021 . 1 . 1 111 111 LEU HD11 H 1 0.646 0.020 . 2 . . . . A 194 LEU HD11 . 34811 1 1022 . 1 . 1 111 111 LEU HD12 H 1 0.646 0.020 . 2 . . . . A 194 LEU HD12 . 34811 1 1023 . 1 . 1 111 111 LEU HD13 H 1 0.646 0.020 . 2 . . . . A 194 LEU HD13 . 34811 1 1024 . 1 . 1 111 111 LEU HD21 H 1 0.774 0.020 . 2 . . . . A 194 LEU HD21 . 34811 1 1025 . 1 . 1 111 111 LEU HD22 H 1 0.774 0.020 . 2 . . . . A 194 LEU HD22 . 34811 1 1026 . 1 . 1 111 111 LEU HD23 H 1 0.774 0.020 . 2 . . . . A 194 LEU HD23 . 34811 1 1027 . 1 . 1 111 111 LEU CB C 13 40.987 0.400 . 1 . . . . A 194 LEU CB . 34811 1 1028 . 1 . 1 111 111 LEU CG C 13 21.963 0.400 . 1 . . . . A 194 LEU CG . 34811 1 1029 . 1 . 1 111 111 LEU CD1 C 13 22.123 0.400 . 1 . . . . A 194 LEU CD1 . 34811 1 1030 . 1 . 1 111 111 LEU CD2 C 13 23.460 0.400 . 1 . . . . A 194 LEU CD2 . 34811 1 1031 . 1 . 1 112 112 TYR H H 1 8.083 0.020 . 1 . . . . A 195 TYR H . 34811 1 1032 . 1 . 1 112 112 TYR HA H 1 4.549 0.020 . 1 . . . . A 195 TYR HA . 34811 1 1033 . 1 . 1 112 112 TYR HB2 H 1 2.939 0.020 . 2 . . . . A 195 TYR HB2 . 34811 1 1034 . 1 . 1 112 112 TYR HB3 H 1 2.989 0.020 . 2 . . . . A 195 TYR HB3 . 34811 1 1035 . 1 . 1 112 112 TYR HD1 H 1 7.080 0.020 . 3 . . . . A 195 TYR HD1 . 34811 1 1036 . 1 . 1 112 112 TYR HD2 H 1 7.080 0.020 . 3 . . . . A 195 TYR HD2 . 34811 1 1037 . 1 . 1 112 112 TYR HE1 H 1 6.648 0.020 . 3 . . . . A 195 TYR HE1 . 34811 1 1038 . 1 . 1 112 112 TYR HE2 H 1 6.648 0.020 . 3 . . . . A 195 TYR HE2 . 34811 1 1039 . 1 . 1 112 112 TYR CA C 13 54.512 0.400 . 1 . . . . A 195 TYR CA . 34811 1 1040 . 1 . 1 112 112 TYR CB C 13 36.717 0.400 . 1 . . . . A 195 TYR CB . 34811 1 1041 . 1 . 1 112 112 TYR CD1 C 13 61.840 0.400 . 1 . . . . A 195 TYR CD1 . 34811 1 1042 . 1 . 1 112 112 TYR CE1 C 13 114.754 0.400 . 1 . . . . A 195 TYR CE1 . 34811 1 1043 . 1 . 1 113 113 TYR H H 1 8.735 0.020 . 1 . . . . A 196 TYR H . 34811 1 1044 . 1 . 1 113 113 TYR HA H 1 5.189 0.020 . 1 . . . . A 196 TYR HA . 34811 1 1045 . 1 . 1 113 113 TYR HB2 H 1 2.863 0.020 . 2 . . . . A 196 TYR HB2 . 34811 1 1046 . 1 . 1 113 113 TYR HB3 H 1 3.047 0.020 . 2 . . . . A 196 TYR HB3 . 34811 1 1047 . 1 . 1 113 113 TYR HD1 H 1 7.109 0.020 . 3 . . . . A 196 TYR HD1 . 34811 1 1048 . 1 . 1 113 113 TYR HD2 H 1 7.109 0.020 . 3 . . . . A 196 TYR HD2 . 34811 1 1049 . 1 . 1 113 113 TYR HE1 H 1 6.651 0.020 . 3 . . . . A 196 TYR HE1 . 34811 1 1050 . 1 . 1 113 113 TYR HE2 H 1 6.651 0.020 . 3 . . . . A 196 TYR HE2 . 34811 1 1051 . 1 . 1 113 113 TYR CA C 13 55.036 0.400 . 1 . . . . A 196 TYR CA . 34811 1 1052 . 1 . 1 113 113 TYR CB C 13 35.889 0.400 . 1 . . . . A 196 TYR CB . 34811 1 1053 . 1 . 1 113 113 TYR CD1 C 13 130.065 0.400 . 1 . . . . A 196 TYR CD1 . 34811 1 1054 . 1 . 1 113 113 TYR CE1 C 13 47.708 0.400 . 1 . . . . A 196 TYR CE1 . 34811 1 1055 . 1 . 1 114 114 ILE H H 1 7.934 0.020 . 1 . . . . A 197 ILE H . 34811 1 1056 . 1 . 1 114 114 ILE HA H 1 4.317 0.020 . 1 . . . . A 197 ILE HA . 34811 1 1057 . 1 . 1 114 114 ILE HB H 1 1.913 0.020 . 1 . . . . A 197 ILE HB . 34811 1 1058 . 1 . 1 114 114 ILE HG12 H 1 1.004 0.020 . 2 . . . . A 197 ILE HG12 . 34811 1 1059 . 1 . 1 114 114 ILE HG13 H 1 1.358 0.020 . 2 . . . . A 197 ILE HG13 . 34811 1 1060 . 1 . 1 114 114 ILE HG21 H 1 0.723 0.020 . 1 . . . . A 197 ILE HG21 . 34811 1 1061 . 1 . 1 114 114 ILE HG22 H 1 0.723 0.020 . 1 . . . . A 197 ILE HG22 . 34811 1 1062 . 1 . 1 114 114 ILE HG23 H 1 0.723 0.020 . 1 . . . . A 197 ILE HG23 . 34811 1 1063 . 1 . 1 114 114 ILE HD11 H 1 0.711 0.020 . 1 . . . . A 197 ILE HD11 . 34811 1 1064 . 1 . 1 114 114 ILE HD12 H 1 0.711 0.020 . 1 . . . . A 197 ILE HD12 . 34811 1 1065 . 1 . 1 114 114 ILE HD13 H 1 0.711 0.020 . 1 . . . . A 197 ILE HD13 . 34811 1 1066 . 1 . 1 114 114 ILE C C 13 15.257 0.400 . 1 . . . . A 197 ILE C . 34811 1 1067 . 1 . 1 114 114 ILE CA C 13 59.235 0.400 . 1 . . . . A 197 ILE CA . 34811 1 1068 . 1 . 1 114 114 ILE CB C 13 37.240 0.400 . 1 . . . . A 197 ILE CB . 34811 1 1069 . 1 . 1 114 114 ILE CG1 C 13 24.229 0.400 . 1 . . . . A 197 ILE CG1 . 34811 1 1070 . 1 . 1 114 114 ILE CG2 C 13 15.970 0.400 . 1 . . . . A 197 ILE CG2 . 34811 1 1071 . 1 . 1 114 114 ILE CD1 C 13 11.472 0.400 . 1 . . . . A 197 ILE CD1 . 34811 1 stop_ save_