data_16193 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16193 _Entry.Title ; Structure of the second qRRM domain of hnRNP F in complex with a AGGGAU G-tract RNA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-03-02 _Entry.Accession_date 2009-03-02 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Frederic Allain . H.T. . 16193 2 Cyril Dominguez . . . 16193 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'not applicable' 'not applicable' . 16193 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'G tract' . 16193 'polyadenylation regulation' . 16193 'protein-RNA complex' . 16193 'splicing regulation' . 16193 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16193 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 357 16193 '15N chemical shifts' 97 16193 '1H chemical shifts' 680 16193 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 2 . . 2010-07-09 2009-02-03 update BMRB 'complete entry citation' 16193 1 . . 2010-06-15 2009-02-03 original author 'original release' 16193 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 6745 'Backbone 1H, 13C, and 15N chemical shift assignments of human HnRNP F qRRM12' 16193 PDB 2HGM 'NMR structure of the second qRRM domain of human hnRNP F' 16193 PDB 2KG0 'BMRB Entry Tracking System' 16193 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16193 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20526337 _Citation.Full_citation . _Citation.Title 'Structural basis of G-tract recognition and encaging by hnRNP F quasi-RRMs.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Mol. Biol.' _Citation.Journal_name_full 'Nature structural and molecular biology' _Citation.Journal_volume 17 _Citation.Journal_issue 7 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 853 _Citation.Page_last 861 _Citation.Year 2010 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Cyril Dominguez . . . 16193 1 2 Jean-Francois Fisette . . . 16193 1 3 Benoit Chabot . . . 16193 1 4 Frederic Allain . H.T. . 16193 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16193 _Assembly.ID 1 _Assembly.Name 'hnRNP F/AGGGAU G-tract RNA complex' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 'AGGGAU G-tract RNA' 1 $entity_1 A . yes native no no . . . 16193 1 2 'second qRRM of hnRNP F' 2 $entity_2 B . yes native no no . . . 16193 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 16193 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'AGGGAU G-tract RNA' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code AGGGAU _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 6 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1955.251 _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 . A . 16193 1 2 . G . 16193 1 3 . G . 16193 1 4 . G . 16193 1 5 . A . 16193 1 6 . U . 16193 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 . A 1 1 16193 1 . G 2 2 16193 1 . G 3 3 16193 1 . G 4 4 16193 1 . A 5 5 16193 1 . U 6 6 16193 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 16193 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'second qRRM of hnRNP F' _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 ; NSADSANDGFVRLRGLPFGC TKEEIVQFFSGLEIVPNGIT LPVDPEGKITGEAFVQFASQ ELAEKALGKHKERIGHRYIE VFKSSQEEVRSY ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 92 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10228.562 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2HGM . "Nmr Structure Of The Second Qrrm Domain Of Human Hnrnp F" . . . . . 98.91 126 100.00 100.00 3.37e-58 . . . . 16193 2 2 no PDB 2KG0 . "Structure Of The Second Qrrm Domain Of Hnrnp F In Complex With A Agggau G-Tract Rna" . . . . . 98.91 126 100.00 100.00 3.37e-58 . . . . 16193 2 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'regulation of alternative splicing' 16193 2 'regulation of polyadenylation' 16193 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 103 ASN . 16193 2 2 104 SER . 16193 2 3 105 ALA . 16193 2 4 106 ASP . 16193 2 5 107 SER . 16193 2 6 108 ALA . 16193 2 7 109 ASN . 16193 2 8 110 ASP . 16193 2 9 111 GLY . 16193 2 10 112 PHE . 16193 2 11 113 VAL . 16193 2 12 114 ARG . 16193 2 13 115 LEU . 16193 2 14 116 ARG . 16193 2 15 117 GLY . 16193 2 16 118 LEU . 16193 2 17 119 PRO . 16193 2 18 120 PHE . 16193 2 19 121 GLY . 16193 2 20 122 CYS . 16193 2 21 123 THR . 16193 2 22 124 LYS . 16193 2 23 125 GLU . 16193 2 24 126 GLU . 16193 2 25 127 ILE . 16193 2 26 128 VAL . 16193 2 27 129 GLN . 16193 2 28 130 PHE . 16193 2 29 131 PHE . 16193 2 30 132 SER . 16193 2 31 133 GLY . 16193 2 32 134 LEU . 16193 2 33 135 GLU . 16193 2 34 136 ILE . 16193 2 35 137 VAL . 16193 2 36 138 PRO . 16193 2 37 139 ASN . 16193 2 38 140 GLY . 16193 2 39 141 ILE . 16193 2 40 142 THR . 16193 2 41 143 LEU . 16193 2 42 144 PRO . 16193 2 43 145 VAL . 16193 2 44 146 ASP . 16193 2 45 147 PRO . 16193 2 46 148 GLU . 16193 2 47 149 GLY . 16193 2 48 150 LYS . 16193 2 49 151 ILE . 16193 2 50 152 THR . 16193 2 51 153 GLY . 16193 2 52 154 GLU . 16193 2 53 155 ALA . 16193 2 54 156 PHE . 16193 2 55 157 VAL . 16193 2 56 158 GLN . 16193 2 57 159 PHE . 16193 2 58 160 ALA . 16193 2 59 161 SER . 16193 2 60 162 GLN . 16193 2 61 163 GLU . 16193 2 62 164 LEU . 16193 2 63 165 ALA . 16193 2 64 166 GLU . 16193 2 65 167 LYS . 16193 2 66 168 ALA . 16193 2 67 169 LEU . 16193 2 68 170 GLY . 16193 2 69 171 LYS . 16193 2 70 172 HIS . 16193 2 71 173 LYS . 16193 2 72 174 GLU . 16193 2 73 175 ARG . 16193 2 74 176 ILE . 16193 2 75 177 GLY . 16193 2 76 178 HIS . 16193 2 77 179 ARG . 16193 2 78 180 TYR . 16193 2 79 181 ILE . 16193 2 80 182 GLU . 16193 2 81 183 VAL . 16193 2 82 184 PHE . 16193 2 83 185 LYS . 16193 2 84 186 SER . 16193 2 85 187 SER . 16193 2 86 188 GLN . 16193 2 87 189 GLU . 16193 2 88 190 GLU . 16193 2 89 191 VAL . 16193 2 90 192 ARG . 16193 2 91 193 SER . 16193 2 92 194 TYR . 16193 2 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 . ASN 1 1 16193 2 . SER 2 2 16193 2 . ALA 3 3 16193 2 . ASP 4 4 16193 2 . SER 5 5 16193 2 . ALA 6 6 16193 2 . ASN 7 7 16193 2 . ASP 8 8 16193 2 . GLY 9 9 16193 2 . PHE 10 10 16193 2 . VAL 11 11 16193 2 . ARG 12 12 16193 2 . LEU 13 13 16193 2 . ARG 14 14 16193 2 . GLY 15 15 16193 2 . LEU 16 16 16193 2 . PRO 17 17 16193 2 . PHE 18 18 16193 2 . GLY 19 19 16193 2 . CYS 20 20 16193 2 . THR 21 21 16193 2 . LYS 22 22 16193 2 . GLU 23 23 16193 2 . GLU 24 24 16193 2 . ILE 25 25 16193 2 . VAL 26 26 16193 2 . GLN 27 27 16193 2 . PHE 28 28 16193 2 . PHE 29 29 16193 2 . SER 30 30 16193 2 . GLY 31 31 16193 2 . LEU 32 32 16193 2 . GLU 33 33 16193 2 . ILE 34 34 16193 2 . VAL 35 35 16193 2 . PRO 36 36 16193 2 . ASN 37 37 16193 2 . GLY 38 38 16193 2 . ILE 39 39 16193 2 . THR 40 40 16193 2 . LEU 41 41 16193 2 . PRO 42 42 16193 2 . VAL 43 43 16193 2 . ASP 44 44 16193 2 . PRO 45 45 16193 2 . GLU 46 46 16193 2 . GLY 47 47 16193 2 . LYS 48 48 16193 2 . ILE 49 49 16193 2 . THR 50 50 16193 2 . GLY 51 51 16193 2 . GLU 52 52 16193 2 . ALA 53 53 16193 2 . PHE 54 54 16193 2 . VAL 55 55 16193 2 . GLN 56 56 16193 2 . PHE 57 57 16193 2 . ALA 58 58 16193 2 . SER 59 59 16193 2 . GLN 60 60 16193 2 . GLU 61 61 16193 2 . LEU 62 62 16193 2 . ALA 63 63 16193 2 . GLU 64 64 16193 2 . LYS 65 65 16193 2 . ALA 66 66 16193 2 . LEU 67 67 16193 2 . GLY 68 68 16193 2 . LYS 69 69 16193 2 . HIS 70 70 16193 2 . LYS 71 71 16193 2 . GLU 72 72 16193 2 . ARG 73 73 16193 2 . ILE 74 74 16193 2 . GLY 75 75 16193 2 . HIS 76 76 16193 2 . ARG 77 77 16193 2 . TYR 78 78 16193 2 . ILE 79 79 16193 2 . GLU 80 80 16193 2 . VAL 81 81 16193 2 . PHE 82 82 16193 2 . LYS 83 83 16193 2 . SER 84 84 16193 2 . SER 85 85 16193 2 . GLN 86 86 16193 2 . GLU 87 87 16193 2 . GLU 88 88 16193 2 . VAL 89 89 16193 2 . ARG 90 90 16193 2 . SER 91 91 16193 2 . TYR 92 92 16193 2 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 16193 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 16193 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 16193 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 16193 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 16193 1 2 2 $entity_2 . 'recombinant technology' . . . . . . 'BL21 Codon Plus' . . . . . . . . . . . . . . . . . . . . . . 16193 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16193 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 entity_1 'natural abundance' . . 1 $entity_1 . . . 1 1.5 mM . . . . 16193 1 2 entity_2 '[U-13C; U-15N]' . . 2 $entity_2 . . . 1 1.5 mM . . . . 16193 1 3 NaH2PO4 'natural abundance' . . . . . . 20 . . mM . . . . 16193 1 4 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 16193 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 16193 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 70 . mM 16193 1 pH 7.0 . pH 16193 1 pressure 1 . atm 16193 1 temperature 303 . K 16193 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16193 _Software.ID 1 _Software.Name SPARKY _Software.Version 3.113 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16193 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16193 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16193 _Software.ID 2 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann, Guntert and Wuthrich' . . 16193 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16193 2 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 16193 _Software.ID 3 _Software.Name AMBER _Software.Version 7.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . 16193 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16193 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16193 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16193 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 16193 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 16193 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 16193 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 . . . 16193 1 2 spectrometer_2 Bruker Avance . 600 . . . 16193 1 3 spectrometer_3 Bruker Avance . 700 . . . 16193 1 4 spectrometer_4 Bruker Avance . 900 . . . 16193 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 16193 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16193 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16193 1 3 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 16193 1 4 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 16193 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16193 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.7 internal indirect 0.25 . . . . . . . . . 16193 1 H 1 water protons . . . . ppm 4.7 internal direct 1.0 . . . . . . . . . 16193 1 N 15 water protons . . . . ppm 4.7 internal indirect 0.1 . . . . . . . . . 16193 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16193 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16193 1 2 '2D 1H-13C HSQC' . . . 16193 1 3 '3D 1H-15N NOESY' . . . 16193 1 4 '3D 1H-13C NOESY' . . . 16193 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $SPARKY . . 16193 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 A H1' H 1 6.036 0.003 . 1 . . . . 1 A H1' . 16193 1 2 . 1 1 1 1 A H2 H 1 8.066 0.011 . 1 . . . . 1 A H2 . 16193 1 3 . 1 1 1 1 A H2' H 1 4.805 0.006 . 1 . . . . 1 A H2' . 16193 1 4 . 1 1 1 1 A H3' H 1 4.777 0.004 . 1 . . . . 1 A H3' . 16193 1 5 . 1 1 1 1 A H4' H 1 4.473 0.005 . 1 . . . . 1 A H4' . 16193 1 6 . 1 1 1 1 A H5' H 1 3.835 0.003 . 1 . . . . 1 A H5' . 16193 1 7 . 1 1 1 1 A H5'' H 1 3.835 0.003 . 1 . . . . 1 A H5'' . 16193 1 8 . 1 1 1 1 A H8 H 1 8.254 0.004 . 1 . . . . 1 A H8 . 16193 1 9 . 1 1 2 2 G H1 H 1 11.437 0.012 . 1 . . . . 2 G H1 . 16193 1 10 . 1 1 2 2 G H1' H 1 5.720 0.002 . 1 . . . . 2 G H1' . 16193 1 11 . 1 1 2 2 G H2' H 1 4.707 0.002 . 1 . . . . 2 G H2' . 16193 1 12 . 1 1 2 2 G H3' H 1 4.839 0.007 . 1 . . . . 2 G H3' . 16193 1 13 . 1 1 2 2 G H4' H 1 4.462 0.004 . 1 . . . . 2 G H4' . 16193 1 14 . 1 1 2 2 G H5'' H 1 4.178 0.006 . 1 . . . . 2 G H5'' . 16193 1 15 . 1 1 2 2 G H8 H 1 8.293 0.005 . 1 . . . . 2 G H8 . 16193 1 16 . 1 1 3 3 G H1 H 1 11.440 0.015 . 1 . . . . 3 G H1 . 16193 1 17 . 1 1 3 3 G H1' H 1 5.819 0.003 . 1 . . . . 3 G H1' . 16193 1 18 . 1 1 3 3 G H2' H 1 4.856 0.001 . 1 . . . . 3 G H2' . 16193 1 19 . 1 1 3 3 G H4' H 1 3.944 0.005 . 1 . . . . 3 G H4' . 16193 1 20 . 1 1 3 3 G H5' H 1 3.823 0.010 . 1 . . . . 3 G H5' . 16193 1 21 . 1 1 3 3 G H5'' H 1 3.038 0.010 . 1 . . . . 3 G H5'' . 16193 1 22 . 1 1 3 3 G H8 H 1 8.120 0.004 . 1 . . . . 3 G H8 . 16193 1 23 . 1 1 4 4 G H1' H 1 5.921 0.004 . 1 . . . . 4 G H1' . 16193 1 24 . 1 1 4 4 G H2' H 1 5.010 0.008 . 1 . . . . 4 G H2' . 16193 1 25 . 1 1 4 4 G H3' H 1 5.214 0.011 . 1 . . . . 4 G H3' . 16193 1 26 . 1 1 4 4 G H4' H 1 4.409 0.003 . 1 . . . . 4 G H4' . 16193 1 27 . 1 1 4 4 G H5' H 1 4.750 0.014 . 1 . . . . 4 G H5' . 16193 1 28 . 1 1 4 4 G H5'' H 1 4.167 0.005 . 1 . . . . 4 G H5'' . 16193 1 29 . 1 1 4 4 G H8 H 1 7.922 0.004 . 1 . . . . 4 G H8 . 16193 1 30 . 1 1 5 5 A H1' H 1 6.076 0.005 . 1 . . . . 5 A H1' . 16193 1 31 . 1 1 5 5 A H2 H 1 8.085 0.006 . 1 . . . . 5 A H2 . 16193 1 32 . 1 1 5 5 A H2' H 1 4.766 0.002 . 1 . . . . 5 A H2' . 16193 1 33 . 1 1 5 5 A H3' H 1 4.708 0.004 . 1 . . . . 5 A H3' . 16193 1 34 . 1 1 5 5 A H4' H 1 4.545 0.020 . 1 . . . . 5 A H4' . 16193 1 35 . 1 1 5 5 A H5' H 1 4.346 0.009 . 1 . . . . 5 A H5' . 16193 1 36 . 1 1 5 5 A H5'' H 1 4.272 0.007 . 1 . . . . 5 A H5'' . 16193 1 37 . 1 1 5 5 A H8 H 1 8.427 0.005 . 1 . . . . 5 A H8 . 16193 1 38 . 1 1 6 6 U H1' H 1 5.740 0.003 . 1 . . . . 6 U H1' . 16193 1 39 . 1 1 6 6 U H2' H 1 4.139 0.014 . 1 . . . . 6 U H2' . 16193 1 40 . 1 1 6 6 U H3' H 1 4.187 0.010 . 1 . . . . 6 U H3' . 16193 1 41 . 1 1 6 6 U H4' H 1 4.278 0.007 . 1 . . . . 6 U H4' . 16193 1 42 . 1 1 6 6 U H5 H 1 5.560 0.011 . 1 . . . . 6 U H5 . 16193 1 43 . 1 1 6 6 U H5' H 1 4.765 0.006 . 1 . . . . 6 U H5' . 16193 1 44 . 1 1 6 6 U H5'' H 1 4.721 0.010 . 1 . . . . 6 U H5'' . 16193 1 45 . 1 1 6 6 U H6 H 1 7.661 0.004 . 1 . . . . 6 U H6 . 16193 1 46 . 2 2 1 1 ASN H H 1 8.304 0.05 . 1 . . . . 103 N HN . 16193 1 47 . 2 2 1 1 ASN N N 15 116.776 0.2 . 1 . . . . 103 N N . 16193 1 48 . 2 2 3 3 ALA H H 1 8.287 0.05 . 1 . . . . 105 A HN . 16193 1 49 . 2 2 3 3 ALA HB1 H 1 1.419 0.05 . 1 . . . . 105 A QB . 16193 1 50 . 2 2 3 3 ALA HB2 H 1 1.419 0.05 . 1 . . . . 105 A QB . 16193 1 51 . 2 2 3 3 ALA HB3 H 1 1.419 0.05 . 1 . . . . 105 A QB . 16193 1 52 . 2 2 3 3 ALA N N 15 124.911 0.2 . 1 . . . . 105 A N . 16193 1 53 . 2 2 4 4 ASP H H 1 8.193 0.05 . 1 . . . . 106 D HN . 16193 1 54 . 2 2 4 4 ASP N N 15 118.999 0.2 . 1 . . . . 106 D N . 16193 1 55 . 2 2 5 5 SER H H 1 8.152 0.05 . 1 . . . . 107 S HN . 16193 1 56 . 2 2 5 5 SER C C 13 174.409 0.2 . 1 . . . . 107 S CO . 16193 1 57 . 2 2 5 5 SER N N 15 115.883 0.2 . 1 . . . . 107 S N . 16193 1 58 . 2 2 6 6 ALA H H 1 8.260 0.05 . 1 . . . . 108 A HN . 16193 1 59 . 2 2 6 6 ALA HA H 1 4.306 0.05 . 1 . . . . 108 A HA . 16193 1 60 . 2 2 6 6 ALA HB1 H 1 1.419 0.05 . 1 . . . . 108 A QB . 16193 1 61 . 2 2 6 6 ALA HB2 H 1 1.419 0.05 . 1 . . . . 108 A QB . 16193 1 62 . 2 2 6 6 ALA HB3 H 1 1.419 0.05 . 1 . . . . 108 A QB . 16193 1 63 . 2 2 6 6 ALA C C 13 177.590 0.2 . 1 . . . . 108 A CO . 16193 1 64 . 2 2 6 6 ALA CA C 13 52.910 0.2 . 1 . . . . 108 A CA . 16193 1 65 . 2 2 6 6 ALA CB C 13 19.229 0.2 . 1 . . . . 108 A CB . 16193 1 66 . 2 2 6 6 ALA N N 15 125.347 0.2 . 1 . . . . 108 A N . 16193 1 67 . 2 2 7 7 ASN H H 1 8.359 0.05 . 1 . . . . 109 N HN . 16193 1 68 . 2 2 7 7 ASN HA H 1 4.832 0.05 . 1 . . . . 109 N HA . 16193 1 69 . 2 2 7 7 ASN HB2 H 1 2.892 0.05 . 2 . . . . 109 N HB2 . 16193 1 70 . 2 2 7 7 ASN HB3 H 1 2.767 0.05 . 2 . . . . 109 N HB3 . 16193 1 71 . 2 2 7 7 ASN HD21 H 1 7.619 0.05 . 2 . . . . 109 N HD21 . 16193 1 72 . 2 2 7 7 ASN HD22 H 1 6.911 0.05 . 2 . . . . 109 N HD22 . 16193 1 73 . 2 2 7 7 ASN C C 13 174.643 0.2 . 1 . . . . 109 N CO . 16193 1 74 . 2 2 7 7 ASN CA C 13 53.270 0.2 . 1 . . . . 109 N CA . 16193 1 75 . 2 2 7 7 ASN CB C 13 38.966 0.2 . 1 . . . . 109 N CB . 16193 1 76 . 2 2 7 7 ASN N N 15 117.785 0.2 . 1 . . . . 109 N N . 16193 1 77 . 2 2 7 7 ASN ND2 N 15 112.895 0.2 . 1 . . . . 109 N ND2 . 16193 1 78 . 2 2 8 8 ASP H H 1 8.140 0.05 . 1 . . . . 110 D HN . 16193 1 79 . 2 2 8 8 ASP HA H 1 4.807 0.05 . 1 . . . . 110 D HA . 16193 1 80 . 2 2 8 8 ASP HB2 H 1 2.822 0.05 . 2 . . . . 110 D QB . 16193 1 81 . 2 2 8 8 ASP HB3 H 1 2.822 0.05 . 2 . . . . 110 D QB . 16193 1 82 . 2 2 8 8 ASP C C 13 176.470 0.2 . 1 . . . . 110 D CO . 16193 1 83 . 2 2 8 8 ASP CA C 13 53.925 0.2 . 1 . . . . 110 D CA . 16193 1 84 . 2 2 8 8 ASP CB C 13 41.935 0.2 . 1 . . . . 110 D CB . 16193 1 85 . 2 2 8 8 ASP N N 15 119.299 0.2 . 1 . . . . 110 D N . 16193 1 86 . 2 2 9 9 GLY H H 1 8.503 0.05 . 1 . . . . 111 G HN . 16193 1 87 . 2 2 9 9 GLY HA2 H 1 3.843 0.05 . 1 . . . . 111 G HA2 . 16193 1 88 . 2 2 9 9 GLY HA3 H 1 3.700 0.05 . 2 . . . . 111 G HA3 . 16193 1 89 . 2 2 9 9 GLY C C 13 173.923 0.2 . 1 . . . . 111 G CO . 16193 1 90 . 2 2 9 9 GLY CA C 13 45.791 0.2 . 1 . . . . 111 G CA . 16193 1 91 . 2 2 9 9 GLY N N 15 107.077 0.2 . 1 . . . . 111 G N . 16193 1 92 . 2 2 10 10 PHE H H 1 8.510 0.05 . 1 . . . . 112 F HN . 16193 1 93 . 2 2 10 10 PHE HA H 1 5.367 0.05 . 1 . . . . 112 F HA . 16193 1 94 . 2 2 10 10 PHE HB2 H 1 2.792 0.05 . 2 . . . . 112 F HB2 . 16193 1 95 . 2 2 10 10 PHE HB3 H 1 2.593 0.05 . 2 . . . . 112 F HB3 . 16193 1 96 . 2 2 10 10 PHE HD1 H 1 7.064 0.05 . 3 . . . . 112 F QD . 16193 1 97 . 2 2 10 10 PHE HD2 H 1 7.064 0.05 . 3 . . . . 112 F QD . 16193 1 98 . 2 2 10 10 PHE HE1 H 1 7.256 0.05 . 3 . . . . 112 F QE . 16193 1 99 . 2 2 10 10 PHE HE2 H 1 7.256 0.05 . 3 . . . . 112 F QE . 16193 1 100 . 2 2 10 10 PHE HZ H 1 7.108 0.05 . 1 . . . . 112 F HZ . 16193 1 101 . 2 2 10 10 PHE C C 13 177.576 0.2 . 1 . . . . 112 F CO . 16193 1 102 . 2 2 10 10 PHE CA C 13 59.271 0.2 . 1 . . . . 112 F CA . 16193 1 103 . 2 2 10 10 PHE CB C 13 41.826 0.2 . 1 . . . . 112 F CB . 16193 1 104 . 2 2 10 10 PHE N N 15 118.981 0.2 . 1 . . . . 112 F N . 16193 1 105 . 2 2 11 11 VAL H H 1 9.274 0.05 . 1 . . . . 113 V HN . 16193 1 106 . 2 2 11 11 VAL HA H 1 4.945 0.05 . 1 . . . . 113 V HA . 16193 1 107 . 2 2 11 11 VAL HB H 1 2.251 0.05 . 1 . . . . 113 V HB . 16193 1 108 . 2 2 11 11 VAL HG11 H 1 0.903 0.05 . 1 . . . . 113 V QG1 . 16193 1 109 . 2 2 11 11 VAL HG12 H 1 0.903 0.05 . 1 . . . . 113 V QG1 . 16193 1 110 . 2 2 11 11 VAL HG13 H 1 0.903 0.05 . 1 . . . . 113 V QG1 . 16193 1 111 . 2 2 11 11 VAL HG21 H 1 0.909 0.05 . 1 . . . . 113 V QG2 . 16193 1 112 . 2 2 11 11 VAL HG22 H 1 0.909 0.05 . 1 . . . . 113 V QG2 . 16193 1 113 . 2 2 11 11 VAL HG23 H 1 0.909 0.05 . 1 . . . . 113 V QG2 . 16193 1 114 . 2 2 11 11 VAL C C 13 173.002 0.2 . 1 . . . . 113 V CO . 16193 1 115 . 2 2 11 11 VAL CA C 13 60.036 0.2 . 1 . . . . 113 V CA . 16193 1 116 . 2 2 11 11 VAL CB C 13 35.417 0.2 . 1 . . . . 113 V CB . 16193 1 117 . 2 2 11 11 VAL CG1 C 13 21.694 0.2 . 2 . . . . 113 V CG1 . 16193 1 118 . 2 2 11 11 VAL CG2 C 13 21.728 0.2 . 2 . . . . 113 V CG2 . 16193 1 119 . 2 2 11 11 VAL N N 15 116.257 0.2 . 1 . . . . 113 V N . 16193 1 120 . 2 2 12 12 ARG H H 1 9.513 0.05 . 1 . . . . 114 R HN . 16193 1 121 . 2 2 12 12 ARG HA H 1 5.250 0.05 . 1 . . . . 114 R HA . 16193 1 122 . 2 2 12 12 ARG HB2 H 1 1.752 0.05 . 2 . . . . 114 R HB2 . 16193 1 123 . 2 2 12 12 ARG HB3 H 1 1.670 0.05 . 2 . . . . 114 R HB3 . 16193 1 124 . 2 2 12 12 ARG HD2 H 1 3.202 0.05 . 2 . . . . 114 R HD2 . 16193 1 125 . 2 2 12 12 ARG HD3 H 1 3.073 0.05 . 2 . . . . 114 R HD3 . 16193 1 126 . 2 2 12 12 ARG HE H 1 7.516 0.05 . 1 . . . . 114 R HE . 16193 1 127 . 2 2 12 12 ARG HG2 H 1 1.179 0.05 . 2 . . . . 114 R HG2 . 16193 1 128 . 2 2 12 12 ARG HG3 H 1 1.011 0.05 . 2 . . . . 114 R HG3 . 16193 1 129 . 2 2 12 12 ARG C C 13 173.793 0.2 . 1 . . . . 114 R CO . 16193 1 130 . 2 2 12 12 ARG CA C 13 53.330 0.2 . 1 . . . . 114 R CA . 16193 1 131 . 2 2 12 12 ARG CB C 13 34.637 0.2 . 1 . . . . 114 R CB . 16193 1 132 . 2 2 12 12 ARG CD C 13 43.513 0.2 . 1 . . . . 114 R CD . 16193 1 133 . 2 2 12 12 ARG CG C 13 27.576 0.2 . 1 . . . . 114 R CG . 16193 1 134 . 2 2 12 12 ARG N N 15 123.956 0.2 . 1 . . . . 114 R N . 16193 1 135 . 2 2 12 12 ARG NE N 15 83.778 0.2 . 1 . . . . 114 R NE . 16193 1 136 . 2 2 13 13 LEU H H 1 9.122 0.05 . 1 . . . . 115 L HN . 16193 1 137 . 2 2 13 13 LEU HA H 1 5.733 0.05 . 1 . . . . 115 L HA . 16193 1 138 . 2 2 13 13 LEU HB2 H 1 1.417 0.05 . 2 . . . . 115 L HB2 . 16193 1 139 . 2 2 13 13 LEU HB3 H 1 1.221 0.05 . 2 . . . . 115 L HB3 . 16193 1 140 . 2 2 13 13 LEU HD11 H 1 0.955 0.05 . 1 . . . . 115 L QD1 . 16193 1 141 . 2 2 13 13 LEU HD12 H 1 0.955 0.05 . 1 . . . . 115 L QD1 . 16193 1 142 . 2 2 13 13 LEU HD13 H 1 0.955 0.05 . 1 . . . . 115 L QD1 . 16193 1 143 . 2 2 13 13 LEU HD21 H 1 0.842 0.05 . 1 . . . . 115 L QD2 . 16193 1 144 . 2 2 13 13 LEU HD22 H 1 0.842 0.05 . 1 . . . . 115 L QD2 . 16193 1 145 . 2 2 13 13 LEU HD23 H 1 0.842 0.05 . 1 . . . . 115 L QD2 . 16193 1 146 . 2 2 13 13 LEU HG H 1 1.656 0.05 . 1 . . . . 115 L HG . 16193 1 147 . 2 2 13 13 LEU C C 13 176.978 0.2 . 1 . . . . 115 L CO . 16193 1 148 . 2 2 13 13 LEU CA C 13 52.131 0.2 . 1 . . . . 115 L CA . 16193 1 149 . 2 2 13 13 LEU CB C 13 44.100 0.2 . 1 . . . . 115 L CB . 16193 1 150 . 2 2 13 13 LEU CD1 C 13 25.432 0.2 . 2 . . . . 115 L CD1 . 16193 1 151 . 2 2 13 13 LEU CD2 C 13 25.748 0.2 . 2 . . . . 115 L CD2 . 16193 1 152 . 2 2 13 13 LEU CG C 13 28.152 0.2 . 1 . . . . 115 L CG . 16193 1 153 . 2 2 13 13 LEU N N 15 123.359 0.2 . 1 . . . . 115 L N . 16193 1 154 . 2 2 14 14 ARG H H 1 8.859 0.05 . 1 . . . . 116 R HN . 16193 1 155 . 2 2 14 14 ARG HA H 1 4.670 0.05 . 1 . . . . 116 R HA . 16193 1 156 . 2 2 14 14 ARG HB2 H 1 1.955 0.05 . 2 . . . . 116 R HB2 . 16193 1 157 . 2 2 14 14 ARG HB3 H 1 1.574 0.05 . 2 . . . . 116 R HB3 . 16193 1 158 . 2 2 14 14 ARG HD2 H 1 2.810 0.05 . 2 . . . . 116 R HD2 . 16193 1 159 . 2 2 14 14 ARG HD3 H 1 2.339 0.05 . 2 . . . . 116 R HD3 . 16193 1 160 . 2 2 14 14 ARG HE H 1 7.795 0.05 . 1 . . . . 116 R HE . 16193 1 161 . 2 2 14 14 ARG HG2 H 1 1.509 0.05 . 2 . . . . 116 R QG . 16193 1 162 . 2 2 14 14 ARG HG3 H 1 1.509 0.05 . 2 . . . . 116 R QG . 16193 1 163 . 2 2 14 14 ARG C C 13 173.953 0.2 . 1 . . . . 116 R CO . 16193 1 164 . 2 2 14 14 ARG CA C 13 56.451 0.2 . 1 . . . . 116 R CA . 16193 1 165 . 2 2 14 14 ARG CB C 13 35.302 0.2 . 1 . . . . 116 R CB . 16193 1 166 . 2 2 14 14 ARG CD C 13 44.767 0.2 . 1 . . . . 116 R CD . 16193 1 167 . 2 2 14 14 ARG CG C 13 26.904 0.2 . 1 . . . . 116 R CG . 16193 1 168 . 2 2 14 14 ARG N N 15 119.341 0.2 . 1 . . . . 116 R N . 16193 1 169 . 2 2 14 14 ARG NE N 15 83.431 0.2 . 1 . . . . 116 R NE . 16193 1 170 . 2 2 15 15 GLY H H 1 7.733 0.05 . 1 . . . . 117 G HN . 16193 1 171 . 2 2 15 15 GLY HA2 H 1 4.613 0.05 . 1 . . . . 117 G HA2 . 16193 1 172 . 2 2 15 15 GLY HA3 H 1 3.567 0.05 . 2 . . . . 117 G HA3 . 16193 1 173 . 2 2 15 15 GLY C C 13 174.045 0.2 . 1 . . . . 117 G CO . 16193 1 174 . 2 2 15 15 GLY CA C 13 45.571 0.2 . 1 . . . . 117 G CA . 16193 1 175 . 2 2 15 15 GLY N N 15 113.242 0.2 . 1 . . . . 117 G N . 16193 1 176 . 2 2 16 16 LEU H H 1 8.369 0.05 . 1 . . . . 118 L HN . 16193 1 177 . 2 2 16 16 LEU HA H 1 3.724 0.05 . 1 . . . . 118 L HA . 16193 1 178 . 2 2 16 16 LEU HB2 H 1 1.207 0.05 . 2 . . . . 118 L HB2 . 16193 1 179 . 2 2 16 16 LEU HB3 H 1 1.096 0.05 . 2 . . . . 118 L HB3 . 16193 1 180 . 2 2 16 16 LEU HD11 H 1 0.525 0.05 . 1 . . . . 118 L QD1 . 16193 1 181 . 2 2 16 16 LEU HD12 H 1 0.525 0.05 . 1 . . . . 118 L QD1 . 16193 1 182 . 2 2 16 16 LEU HD13 H 1 0.525 0.05 . 1 . . . . 118 L QD1 . 16193 1 183 . 2 2 16 16 LEU HD21 H 1 0.578 0.05 . 1 . . . . 118 L QD2 . 16193 1 184 . 2 2 16 16 LEU HD22 H 1 0.578 0.05 . 1 . . . . 118 L QD2 . 16193 1 185 . 2 2 16 16 LEU HD23 H 1 0.578 0.05 . 1 . . . . 118 L QD2 . 16193 1 186 . 2 2 16 16 LEU HG H 1 1.336 0.05 . 1 . . . . 118 L HG . 16193 1 187 . 2 2 16 16 LEU CA C 13 53.608 0.2 . 1 . . . . 118 L CA . 16193 1 188 . 2 2 16 16 LEU CB C 13 40.963 0.2 . 1 . . . . 118 L CB . 16193 1 189 . 2 2 16 16 LEU CD1 C 13 26.760 0.2 . 2 . . . . 118 L CD1 . 16193 1 190 . 2 2 16 16 LEU CD2 C 13 23.513 0.2 . 2 . . . . 118 L CD2 . 16193 1 191 . 2 2 16 16 LEU CG C 13 26.955 0.2 . 1 . . . . 118 L CG . 16193 1 192 . 2 2 16 16 LEU N N 15 118.503 0.2 . 1 . . . . 118 L N . 16193 1 193 . 2 2 17 17 PRO HA H 1 4.587 0.05 . 1 . . . . 119 P HA . 16193 1 194 . 2 2 17 17 PRO HB2 H 1 2.109 0.05 . 2 . . . . 119 P HB2 . 16193 1 195 . 2 2 17 17 PRO HB3 H 1 1.958 0.05 . 2 . . . . 119 P HB3 . 16193 1 196 . 2 2 17 17 PRO HD2 H 1 3.349 0.05 . 2 . . . . 119 P HD2 . 16193 1 197 . 2 2 17 17 PRO HD3 H 1 3.169 0.05 . 2 . . . . 119 P HD3 . 16193 1 198 . 2 2 17 17 PRO HG2 H 1 1.964 0.05 . 2 . . . . 119 P HG2 . 16193 1 199 . 2 2 17 17 PRO HG3 H 1 1.773 0.05 . 2 . . . . 119 P HG3 . 16193 1 200 . 2 2 17 17 PRO C C 13 176.633 0.2 . 1 . . . . 119 P CO . 16193 1 201 . 2 2 17 17 PRO CA C 13 61.799 0.2 . 1 . . . . 119 P CA . 16193 1 202 . 2 2 17 17 PRO CB C 13 31.824 0.2 . 1 . . . . 119 P CB . 16193 1 203 . 2 2 17 17 PRO CD C 13 50.405 0.2 . 1 . . . . 119 P CD . 16193 1 204 . 2 2 17 17 PRO CG C 13 27.538 0.2 . 1 . . . . 119 P CG . 16193 1 205 . 2 2 18 18 PHE H H 1 8.188 0.05 . 1 . . . . 120 F HN . 16193 1 206 . 2 2 18 18 PHE HA H 1 4.412 0.05 . 1 . . . . 120 F HA . 16193 1 207 . 2 2 18 18 PHE HB2 H 1 3.148 0.05 . 2 . . . . 120 F HB2 . 16193 1 208 . 2 2 18 18 PHE HB3 H 1 2.651 0.05 . 2 . . . . 120 F HB3 . 16193 1 209 . 2 2 18 18 PHE HD1 H 1 6.803 0.05 . 3 . . . . 120 F QD . 16193 1 210 . 2 2 18 18 PHE HD2 H 1 6.803 0.05 . 3 . . . . 120 F QD . 16193 1 211 . 2 2 18 18 PHE HE1 H 1 6.537 0.05 . 3 . . . . 120 F QE . 16193 1 212 . 2 2 18 18 PHE HE2 H 1 6.537 0.05 . 3 . . . . 120 F QE . 16193 1 213 . 2 2 18 18 PHE HZ H 1 6.620 0.05 . 1 . . . . 120 F HZ . 16193 1 214 . 2 2 18 18 PHE C C 13 177.046 0.2 . 1 . . . . 120 F CO . 16193 1 215 . 2 2 18 18 PHE CA C 13 59.358 0.2 . 1 . . . . 120 F CA . 16193 1 216 . 2 2 18 18 PHE CB C 13 37.285 0.2 . 1 . . . . 120 F CB . 16193 1 217 . 2 2 18 18 PHE N N 15 122.465 0.2 . 1 . . . . 120 F N . 16193 1 218 . 2 2 19 19 GLY H H 1 8.535 0.05 . 1 . . . . 121 G HN . 16193 1 219 . 2 2 19 19 GLY HA2 H 1 4.037 0.05 . 1 . . . . 121 G HA2 . 16193 1 220 . 2 2 19 19 GLY HA3 H 1 3.962 0.05 . 2 . . . . 121 G HA3 . 16193 1 221 . 2 2 19 19 GLY C C 13 173.886 0.2 . 1 . . . . 121 G CO . 16193 1 222 . 2 2 19 19 GLY CA C 13 44.878 0.2 . 1 . . . . 121 G CA . 16193 1 223 . 2 2 19 19 GLY N N 15 109.617 0.2 . 1 . . . . 121 G N . 16193 1 224 . 2 2 20 20 CYS H H 1 7.675 0.05 . 1 . . . . 122 C HN . 16193 1 225 . 2 2 20 20 CYS HA H 1 4.324 0.05 . 1 . . . . 122 C HA . 16193 1 226 . 2 2 20 20 CYS HB2 H 1 3.042 0.05 . 2 . . . . 122 C HB2 . 16193 1 227 . 2 2 20 20 CYS HB3 H 1 2.597 0.05 . 2 . . . . 122 C HB3 . 16193 1 228 . 2 2 20 20 CYS C C 13 173.482 0.2 . 1 . . . . 122 C CO . 16193 1 229 . 2 2 20 20 CYS CA C 13 60.711 0.2 . 1 . . . . 122 C CA . 16193 1 230 . 2 2 20 20 CYS CB C 13 27.536 0.2 . 1 . . . . 122 C CB . 16193 1 231 . 2 2 20 20 CYS N N 15 120.564 0.2 . 1 . . . . 122 C N . 16193 1 232 . 2 2 21 21 THR H H 1 8.250 0.05 . 1 . . . . 123 T HN . 16193 1 233 . 2 2 21 21 THR HA H 1 4.766 0.05 . 1 . . . . 123 T HA . 16193 1 234 . 2 2 21 21 THR HG21 H 1 1.335 0.05 . 1 . . . . 123 T QG2 . 16193 1 235 . 2 2 21 21 THR HG22 H 1 1.335 0.05 . 1 . . . . 123 T QG2 . 16193 1 236 . 2 2 21 21 THR HG23 H 1 1.335 0.05 . 1 . . . . 123 T QG2 . 16193 1 237 . 2 2 21 21 THR C C 13 176.207 0.2 . 1 . . . . 123 T CO . 16193 1 238 . 2 2 21 21 THR CA C 13 59.710 0.2 . 1 . . . . 123 T CA . 16193 1 239 . 2 2 21 21 THR CG2 C 13 21.740 0.2 . 1 . . . . 123 T CG2 . 16193 1 240 . 2 2 21 21 THR N N 15 116.354 0.2 . 1 . . . . 123 T N . 16193 1 241 . 2 2 22 22 LYS H H 1 8.984 0.05 . 1 . . . . 124 K HN . 16193 1 242 . 2 2 22 22 LYS HA H 1 3.807 0.05 . 1 . . . . 124 K HA . 16193 1 243 . 2 2 22 22 LYS HB2 H 1 1.819 0.05 . 2 . . . . 124 K QB . 16193 1 244 . 2 2 22 22 LYS HB3 H 1 1.819 0.05 . 2 . . . . 124 K QB . 16193 1 245 . 2 2 22 22 LYS HD2 H 1 1.754 0.05 . 2 . . . . 124 K QD . 16193 1 246 . 2 2 22 22 LYS HD3 H 1 1.754 0.05 . 2 . . . . 124 K QD . 16193 1 247 . 2 2 22 22 LYS HE2 H 1 3.052 0.05 . 2 . . . . 124 K HE2 . 16193 1 248 . 2 2 22 22 LYS HE3 H 1 2.912 0.05 . 2 . . . . 124 K HE3 . 16193 1 249 . 2 2 22 22 LYS HG2 H 1 1.677 0.05 . 2 . . . . 124 K HG2 . 16193 1 250 . 2 2 22 22 LYS HG3 H 1 1.173 0.05 . 2 . . . . 124 K HG3 . 16193 1 251 . 2 2 22 22 LYS C C 13 178.334 0.2 . 1 . . . . 124 K CO . 16193 1 252 . 2 2 22 22 LYS CA C 13 61.030 0.2 . 1 . . . . 124 K CA . 16193 1 253 . 2 2 22 22 LYS CB C 13 32.000 0.2 . 1 . . . . 124 K CB . 16193 1 254 . 2 2 22 22 LYS CD C 13 29.765 0.2 . 1 . . . . 124 K CD . 16193 1 255 . 2 2 22 22 LYS CE C 13 42.211 0.2 . 1 . . . . 124 K CE . 16193 1 256 . 2 2 22 22 LYS CG C 13 27.186 0.2 . 1 . . . . 124 K CG . 16193 1 257 . 2 2 22 22 LYS N N 15 119.623 0.2 . 1 . . . . 124 K N . 16193 1 258 . 2 2 23 23 GLU H H 1 8.730 0.05 . 1 . . . . 125 E HN . 16193 1 259 . 2 2 23 23 GLU HA H 1 3.877 0.05 . 1 . . . . 125 E HA . 16193 1 260 . 2 2 23 23 GLU HB2 H 1 2.076 0.05 . 2 . . . . 125 E HB2 . 16193 1 261 . 2 2 23 23 GLU HB3 H 1 1.880 0.05 . 2 . . . . 125 E HB3 . 16193 1 262 . 2 2 23 23 GLU HG2 H 1 2.457 0.05 . 2 . . . . 125 E HG2 . 16193 1 263 . 2 2 23 23 GLU HG3 H 1 2.230 0.05 . 2 . . . . 125 E HG3 . 16193 1 264 . 2 2 23 23 GLU C C 13 179.271 0.2 . 1 . . . . 125 E CO . 16193 1 265 . 2 2 23 23 GLU CA C 13 60.584 0.2 . 1 . . . . 125 E CA . 16193 1 266 . 2 2 23 23 GLU CB C 13 28.587 0.2 . 1 . . . . 125 E CB . 16193 1 267 . 2 2 23 23 GLU CG C 13 37.197 0.2 . 1 . . . . 125 E CG . 16193 1 268 . 2 2 23 23 GLU N N 15 118.201 0.2 . 1 . . . . 125 E N . 16193 1 269 . 2 2 24 24 GLU H H 1 7.683 0.05 . 1 . . . . 126 E HN . 16193 1 270 . 2 2 24 24 GLU HA H 1 3.948 0.05 . 1 . . . . 126 E HA . 16193 1 271 . 2 2 24 24 GLU HB2 H 1 2.413 0.05 . 2 . . . . 126 E HB2 . 16193 1 272 . 2 2 24 24 GLU HB3 H 1 1.849 0.05 . 2 . . . . 126 E HB3 . 16193 1 273 . 2 2 24 24 GLU HG2 H 1 2.241 0.05 . 2 . . . . 126 E QG . 16193 1 274 . 2 2 24 24 GLU HG3 H 1 2.241 0.05 . 2 . . . . 126 E QG . 16193 1 275 . 2 2 24 24 GLU C C 13 179.604 0.2 . 1 . . . . 126 E CO . 16193 1 276 . 2 2 24 24 GLU CA C 13 59.613 0.2 . 1 . . . . 126 E CA . 16193 1 277 . 2 2 24 24 GLU CB C 13 30.300 0.2 . 1 . . . . 126 E CB . 16193 1 278 . 2 2 24 24 GLU CG C 13 38.151 0.2 . 1 . . . . 126 E CG . 16193 1 279 . 2 2 24 24 GLU N N 15 118.948 0.2 . 1 . . . . 126 E N . 16193 1 280 . 2 2 25 25 ILE H H 1 7.371 0.05 . 1 . . . . 127 I HN . 16193 1 281 . 2 2 25 25 ILE HA H 1 3.466 0.05 . 1 . . . . 127 I HA . 16193 1 282 . 2 2 25 25 ILE HB H 1 2.155 0.05 . 1 . . . . 127 I HB . 16193 1 283 . 2 2 25 25 ILE HD11 H 1 0.611 0.05 . 1 . . . . 127 I QD1 . 16193 1 284 . 2 2 25 25 ILE HD12 H 1 0.611 0.05 . 1 . . . . 127 I QD1 . 16193 1 285 . 2 2 25 25 ILE HD13 H 1 0.611 0.05 . 1 . . . . 127 I QD1 . 16193 1 286 . 2 2 25 25 ILE HG12 H 1 1.586 0.05 . 2 . . . . 127 I HG12 . 16193 1 287 . 2 2 25 25 ILE HG13 H 1 1.014 0.05 . 2 . . . . 127 I HG13 . 16193 1 288 . 2 2 25 25 ILE HG21 H 1 0.906 0.05 . 1 . . . . 127 I QG2 . 16193 1 289 . 2 2 25 25 ILE HG22 H 1 0.906 0.05 . 1 . . . . 127 I QG2 . 16193 1 290 . 2 2 25 25 ILE HG23 H 1 0.906 0.05 . 1 . . . . 127 I QG2 . 16193 1 291 . 2 2 25 25 ILE C C 13 176.784 0.2 . 1 . . . . 127 I CO . 16193 1 292 . 2 2 25 25 ILE CA C 13 65.234 0.2 . 1 . . . . 127 I CA . 16193 1 293 . 2 2 25 25 ILE CB C 13 37.390 0.2 . 1 . . . . 127 I CB . 16193 1 294 . 2 2 25 25 ILE CD1 C 13 14.138 0.2 . 1 . . . . 127 I CD1 . 16193 1 295 . 2 2 25 25 ILE CG1 C 13 29.089 0.2 . 1 . . . . 127 I CG1 . 16193 1 296 . 2 2 25 25 ILE CG2 C 13 18.167 0.2 . 1 . . . . 127 I CG2 . 16193 1 297 . 2 2 25 25 ILE N N 15 122.318 0.2 . 1 . . . . 127 I N . 16193 1 298 . 2 2 26 26 VAL H H 1 8.052 0.05 . 1 . . . . 128 V HN . 16193 1 299 . 2 2 26 26 VAL HA H 1 3.549 0.05 . 1 . . . . 128 V HA . 16193 1 300 . 2 2 26 26 VAL HB H 1 2.190 0.05 . 1 . . . . 128 V HB . 16193 1 301 . 2 2 26 26 VAL HG11 H 1 1.014 0.05 . 1 . . . . 128 V QG1 . 16193 1 302 . 2 2 26 26 VAL HG12 H 1 1.014 0.05 . 1 . . . . 128 V QG1 . 16193 1 303 . 2 2 26 26 VAL HG13 H 1 1.014 0.05 . 1 . . . . 128 V QG1 . 16193 1 304 . 2 2 26 26 VAL HG21 H 1 0.921 0.05 . 1 . . . . 128 V QG2 . 16193 1 305 . 2 2 26 26 VAL HG22 H 1 0.921 0.05 . 1 . . . . 128 V QG2 . 16193 1 306 . 2 2 26 26 VAL HG23 H 1 0.921 0.05 . 1 . . . . 128 V QG2 . 16193 1 307 . 2 2 26 26 VAL C C 13 179.340 0.2 . 1 . . . . 128 V CO . 16193 1 308 . 2 2 26 26 VAL CA C 13 67.123 0.2 . 1 . . . . 128 V CA . 16193 1 309 . 2 2 26 26 VAL CB C 13 31.605 0.2 . 1 . . . . 128 V CB . 16193 1 310 . 2 2 26 26 VAL CG1 C 13 23.026 0.2 . 2 . . . . 128 V CG1 . 16193 1 311 . 2 2 26 26 VAL CG2 C 13 20.832 0.2 . 2 . . . . 128 V CG2 . 16193 1 312 . 2 2 26 26 VAL N N 15 120.981 0.2 . 1 . . . . 128 V N . 16193 1 313 . 2 2 27 27 GLN H H 1 7.673 0.05 . 1 . . . . 129 Q HN . 16193 1 314 . 2 2 27 27 GLN HA H 1 4.018 0.05 . 1 . . . . 129 Q HA . 16193 1 315 . 2 2 27 27 GLN HB2 H 1 2.101 0.05 . 2 . . . . 129 Q QB . 16193 1 316 . 2 2 27 27 GLN HB3 H 1 2.101 0.05 . 2 . . . . 129 Q QB . 16193 1 317 . 2 2 27 27 GLN HE21 H 1 7.500 0.05 . 2 . . . . 129 Q HE21 . 16193 1 318 . 2 2 27 27 GLN HE22 H 1 6.823 0.05 . 2 . . . . 129 Q HE22 . 16193 1 319 . 2 2 27 27 GLN HG2 H 1 2.457 0.05 . 2 . . . . 129 Q QG . 16193 1 320 . 2 2 27 27 GLN HG3 H 1 2.457 0.05 . 2 . . . . 129 Q QG . 16193 1 321 . 2 2 27 27 GLN C C 13 179.172 0.2 . 1 . . . . 129 Q CO . 16193 1 322 . 2 2 27 27 GLN CA C 13 57.947 0.2 . 1 . . . . 129 Q CA . 16193 1 323 . 2 2 27 27 GLN CB C 13 28.268 0.2 . 1 . . . . 129 Q CB . 16193 1 324 . 2 2 27 27 GLN CG C 13 33.571 0.2 . 1 . . . . 129 Q CG . 16193 1 325 . 2 2 27 27 GLN N N 15 115.790 0.2 . 1 . . . . 129 Q N . 16193 1 326 . 2 2 27 27 GLN NE2 N 15 112.210 0.2 . 1 . . . . 129 Q NE2 . 16193 1 327 . 2 2 28 28 PHE H H 1 8.038 0.05 . 1 . . . . 130 F HN . 16193 1 328 . 2 2 28 28 PHE HA H 1 4.160 0.05 . 1 . . . . 130 F HA . 16193 1 329 . 2 2 28 28 PHE HB2 H 1 2.971 0.05 . 2 . . . . 130 F QB . 16193 1 330 . 2 2 28 28 PHE HB3 H 1 2.971 0.05 . 2 . . . . 130 F QB . 16193 1 331 . 2 2 28 28 PHE HD1 H 1 6.136 0.05 . 3 . . . . 130 F QD . 16193 1 332 . 2 2 28 28 PHE HD2 H 1 6.136 0.05 . 3 . . . . 130 F QD . 16193 1 333 . 2 2 28 28 PHE HE1 H 1 6.588 0.05 . 3 . . . . 130 F QE . 16193 1 334 . 2 2 28 28 PHE HE2 H 1 6.588 0.05 . 3 . . . . 130 F QE . 16193 1 335 . 2 2 28 28 PHE HZ H 1 7.024 0.05 . 1 . . . . 130 F HZ . 16193 1 336 . 2 2 28 28 PHE C C 13 175.991 0.2 . 1 . . . . 130 F CO . 16193 1 337 . 2 2 28 28 PHE CA C 13 60.784 0.2 . 1 . . . . 130 F CA . 16193 1 338 . 2 2 28 28 PHE CB C 13 39.234 0.2 . 1 . . . . 130 F CB . 16193 1 339 . 2 2 28 28 PHE CD1 C 13 128.935 0.2 . 3 . . . . 130 F CD1 . 16193 1 340 . 2 2 28 28 PHE CE1 C 13 128.277 0.2 . 3 . . . . 130 F CE1 . 16193 1 341 . 2 2 28 28 PHE CZ C 13 127.799 0.2 . 1 . . . . 130 F CZ . 16193 1 342 . 2 2 28 28 PHE N N 15 124.538 0.2 . 1 . . . . 130 F N . 16193 1 343 . 2 2 29 29 PHE H H 1 7.383 0.05 . 1 . . . . 131 F HN . 16193 1 344 . 2 2 29 29 PHE HA H 1 4.824 0.05 . 1 . . . . 131 F HA . 16193 1 345 . 2 2 29 29 PHE HB2 H 1 3.982 0.05 . 2 . . . . 131 F HB2 . 16193 1 346 . 2 2 29 29 PHE HB3 H 1 2.880 0.05 . 2 . . . . 131 F HB3 . 16193 1 347 . 2 2 29 29 PHE HD1 H 1 7.321 0.05 . 3 . . . . 131 F QD . 16193 1 348 . 2 2 29 29 PHE HD2 H 1 7.321 0.05 . 3 . . . . 131 F QD . 16193 1 349 . 2 2 29 29 PHE HE1 H 1 7.462 0.05 . 3 . . . . 131 F QE . 16193 1 350 . 2 2 29 29 PHE HE2 H 1 7.462 0.05 . 3 . . . . 131 F QE . 16193 1 351 . 2 2 29 29 PHE HZ H 1 7.626 0.05 . 1 . . . . 131 F HZ . 16193 1 352 . 2 2 29 29 PHE C C 13 174.637 0.2 . 1 . . . . 131 F CO . 16193 1 353 . 2 2 29 29 PHE CA C 13 56.246 0.2 . 1 . . . . 131 F CA . 16193 1 354 . 2 2 29 29 PHE CB C 13 38.249 0.2 . 1 . . . . 131 F CB . 16193 1 355 . 2 2 29 29 PHE CD1 C 13 129.256 0.2 . 3 . . . . 131 F CD1 . 16193 1 356 . 2 2 29 29 PHE CE1 C 13 129.100 0.2 . 3 . . . . 131 F CE1 . 16193 1 357 . 2 2 29 29 PHE N N 15 114.409 0.2 . 1 . . . . 131 F N . 16193 1 358 . 2 2 30 30 SER H H 1 7.034 0.05 . 1 . . . . 132 S HN . 16193 1 359 . 2 2 30 30 SER HA H 1 4.104 0.05 . 1 . . . . 132 S HA . 16193 1 360 . 2 2 30 30 SER HB2 H 1 4.091 0.05 . 2 . . . . 132 S HB2 . 16193 1 361 . 2 2 30 30 SER HB3 H 1 3.824 0.05 . 2 . . . . 132 S HB3 . 16193 1 362 . 2 2 30 30 SER C C 13 176.134 0.2 . 1 . . . . 132 S CO . 16193 1 363 . 2 2 30 30 SER CA C 13 60.642 0.2 . 1 . . . . 132 S CA . 16193 1 364 . 2 2 30 30 SER CB C 13 63.065 0.2 . 1 . . . . 132 S CB . 16193 1 365 . 2 2 30 30 SER N N 15 113.673 0.2 . 1 . . . . 132 S N . 16193 1 366 . 2 2 31 31 GLY H H 1 8.889 0.05 . 1 . . . . 133 G HN . 16193 1 367 . 2 2 31 31 GLY HA2 H 1 4.257 0.05 . 1 . . . . 133 G HA2 . 16193 1 368 . 2 2 31 31 GLY HA3 H 1 3.637 0.05 . 2 . . . . 133 G HA3 . 16193 1 369 . 2 2 31 31 GLY C C 13 173.560 0.2 . 1 . . . . 133 G CO . 16193 1 370 . 2 2 31 31 GLY CA C 13 44.968 0.2 . 1 . . . . 133 G CA . 16193 1 371 . 2 2 31 31 GLY N N 15 114.606 0.2 . 1 . . . . 133 G N . 16193 1 372 . 2 2 32 32 LEU H H 1 8.334 0.05 . 1 . . . . 134 L HN . 16193 1 373 . 2 2 32 32 LEU HA H 1 4.603 0.05 . 1 . . . . 134 L HA . 16193 1 374 . 2 2 32 32 LEU HB2 H 1 2.282 0.05 . 2 . . . . 134 L HB2 . 16193 1 375 . 2 2 32 32 LEU HB3 H 1 1.061 0.05 . 2 . . . . 134 L HB3 . 16193 1 376 . 2 2 32 32 LEU HD11 H 1 0.587 0.05 . 1 . . . . 134 L QD1 . 16193 1 377 . 2 2 32 32 LEU HD12 H 1 0.587 0.05 . 1 . . . . 134 L QD1 . 16193 1 378 . 2 2 32 32 LEU HD13 H 1 0.587 0.05 . 1 . . . . 134 L QD1 . 16193 1 379 . 2 2 32 32 LEU HD21 H 1 0.658 0.05 . 1 . . . . 134 L QD2 . 16193 1 380 . 2 2 32 32 LEU HD22 H 1 0.658 0.05 . 1 . . . . 134 L QD2 . 16193 1 381 . 2 2 32 32 LEU HD23 H 1 0.658 0.05 . 1 . . . . 134 L QD2 . 16193 1 382 . 2 2 32 32 LEU HG H 1 1.457 0.05 . 1 . . . . 134 L HG . 16193 1 383 . 2 2 32 32 LEU C C 13 175.217 0.2 . 1 . . . . 134 L CO . 16193 1 384 . 2 2 32 32 LEU CA C 13 53.618 0.2 . 1 . . . . 134 L CA . 16193 1 385 . 2 2 32 32 LEU CB C 13 43.087 0.2 . 1 . . . . 134 L CB . 16193 1 386 . 2 2 32 32 LEU CD1 C 13 25.295 0.2 . 2 . . . . 134 L CD1 . 16193 1 387 . 2 2 32 32 LEU CD2 C 13 24.075 0.2 . 2 . . . . 134 L CD2 . 16193 1 388 . 2 2 32 32 LEU CG C 13 26.823 0.2 . 1 . . . . 134 L CG . 16193 1 389 . 2 2 32 32 LEU N N 15 121.755 0.2 . 1 . . . . 134 L N . 16193 1 390 . 2 2 33 33 GLU H H 1 7.464 0.05 . 1 . . . . 135 E HN . 16193 1 391 . 2 2 33 33 GLU HA H 1 4.063 0.05 . 1 . . . . 135 E HA . 16193 1 392 . 2 2 33 33 GLU HB2 H 1 1.900 0.05 . 2 . . . . 135 E QB . 16193 1 393 . 2 2 33 33 GLU HB3 H 1 1.900 0.05 . 2 . . . . 135 E QB . 16193 1 394 . 2 2 33 33 GLU HG2 H 1 2.164 0.05 . 2 . . . . 135 E HG2 . 16193 1 395 . 2 2 33 33 GLU HG3 H 1 1.900 0.05 . 2 . . . . 135 E HG3 . 16193 1 396 . 2 2 33 33 GLU C C 13 174.120 0.2 . 1 . . . . 135 E CO . 16193 1 397 . 2 2 33 33 GLU CA C 13 58.398 0.2 . 1 . . . . 135 E CA . 16193 1 398 . 2 2 33 33 GLU CB C 13 30.112 0.2 . 1 . . . . 135 E CB . 16193 1 399 . 2 2 33 33 GLU CG C 13 35.891 0.2 . 1 . . . . 135 E CG . 16193 1 400 . 2 2 33 33 GLU N N 15 123.709 0.2 . 1 . . . . 135 E N . 16193 1 401 . 2 2 34 34 ILE H H 1 8.350 0.05 . 1 . . . . 136 I HN . 16193 1 402 . 2 2 34 34 ILE HA H 1 3.895 0.05 . 1 . . . . 136 I HA . 16193 1 403 . 2 2 34 34 ILE HB H 1 1.442 0.05 . 1 . . . . 136 I HB . 16193 1 404 . 2 2 34 34 ILE HD11 H 1 0.779 0.05 . 1 . . . . 136 I QD1 . 16193 1 405 . 2 2 34 34 ILE HD12 H 1 0.779 0.05 . 1 . . . . 136 I QD1 . 16193 1 406 . 2 2 34 34 ILE HD13 H 1 0.779 0.05 . 1 . . . . 136 I QD1 . 16193 1 407 . 2 2 34 34 ILE HG12 H 1 1.764 0.05 . 2 . . . . 136 I HG12 . 16193 1 408 . 2 2 34 34 ILE HG13 H 1 -0.186 0.05 . 2 . . . . 136 I HG13 . 16193 1 409 . 2 2 34 34 ILE HG21 H 1 0.724 0.05 . 1 . . . . 136 I QG2 . 16193 1 410 . 2 2 34 34 ILE HG22 H 1 0.724 0.05 . 1 . . . . 136 I QG2 . 16193 1 411 . 2 2 34 34 ILE HG23 H 1 0.724 0.05 . 1 . . . . 136 I QG2 . 16193 1 412 . 2 2 34 34 ILE C C 13 176.958 0.2 . 1 . . . . 136 I CO . 16193 1 413 . 2 2 34 34 ILE CA C 13 60.738 0.2 . 1 . . . . 136 I CA . 16193 1 414 . 2 2 34 34 ILE CB C 13 39.718 0.2 . 1 . . . . 136 I CB . 16193 1 415 . 2 2 34 34 ILE CD1 C 13 14.966 0.2 . 1 . . . . 136 I CD1 . 16193 1 416 . 2 2 34 34 ILE CG1 C 13 28.743 0.2 . 1 . . . . 136 I CG1 . 16193 1 417 . 2 2 34 34 ILE CG2 C 13 15.947 0.2 . 1 . . . . 136 I CG2 . 16193 1 418 . 2 2 34 34 ILE N N 15 131.375 0.2 . 1 . . . . 136 I N . 16193 1 419 . 2 2 35 35 VAL H H 1 7.750 0.05 . 1 . . . . 137 V HN . 16193 1 420 . 2 2 35 35 VAL HA H 1 4.244 0.05 . 1 . . . . 137 V HA . 16193 1 421 . 2 2 35 35 VAL HB H 1 2.092 0.05 . 1 . . . . 137 V HB . 16193 1 422 . 2 2 35 35 VAL HG11 H 1 0.705 0.05 . 1 . . . . 137 V QG1 . 16193 1 423 . 2 2 35 35 VAL HG12 H 1 0.705 0.05 . 1 . . . . 137 V QG1 . 16193 1 424 . 2 2 35 35 VAL HG13 H 1 0.705 0.05 . 1 . . . . 137 V QG1 . 16193 1 425 . 2 2 35 35 VAL HG21 H 1 1.331 0.05 . 1 . . . . 137 V QG2 . 16193 1 426 . 2 2 35 35 VAL HG22 H 1 1.331 0.05 . 1 . . . . 137 V QG2 . 16193 1 427 . 2 2 35 35 VAL HG23 H 1 1.331 0.05 . 1 . . . . 137 V QG2 . 16193 1 428 . 2 2 35 35 VAL CA C 13 61.175 0.2 . 1 . . . . 137 V CA . 16193 1 429 . 2 2 35 35 VAL CB C 13 29.631 0.2 . 1 . . . . 137 V CB . 16193 1 430 . 2 2 35 35 VAL CG1 C 13 20.785 0.2 . 2 . . . . 137 V CG1 . 16193 1 431 . 2 2 35 35 VAL CG2 C 13 18.746 0.2 . 2 . . . . 137 V CG2 . 16193 1 432 . 2 2 35 35 VAL N N 15 122.600 0.2 . 1 . . . . 137 V N . 16193 1 433 . 2 2 36 36 PRO HA H 1 4.236 0.05 . 1 . . . . 138 P HA . 16193 1 434 . 2 2 36 36 PRO HB2 H 1 2.224 0.05 . 2 . . . . 138 P HB2 . 16193 1 435 . 2 2 36 36 PRO HB3 H 1 1.719 0.05 . 2 . . . . 138 P HB3 . 16193 1 436 . 2 2 36 36 PRO HD2 H 1 3.840 0.05 . 2 . . . . 138 P HD2 . 16193 1 437 . 2 2 36 36 PRO HD3 H 1 3.492 0.05 . 2 . . . . 138 P HD3 . 16193 1 438 . 2 2 36 36 PRO HG2 H 1 2.061 0.05 . 2 . . . . 138 P HG2 . 16193 1 439 . 2 2 36 36 PRO HG3 H 1 1.925 0.05 . 2 . . . . 138 P HG3 . 16193 1 440 . 2 2 36 36 PRO C C 13 177.682 0.2 . 1 . . . . 138 P CO . 16193 1 441 . 2 2 36 36 PRO CA C 13 63.859 0.2 . 1 . . . . 138 P CA . 16193 1 442 . 2 2 36 36 PRO CB C 13 31.343 0.2 . 1 . . . . 138 P CB . 16193 1 443 . 2 2 36 36 PRO CD C 13 50.385 0.2 . 1 . . . . 138 P CD . 16193 1 444 . 2 2 36 36 PRO CG C 13 28.116 0.2 . 1 . . . . 138 P CG . 16193 1 445 . 2 2 37 37 ASN H H 1 9.070 0.05 . 1 . . . . 139 N HN . 16193 1 446 . 2 2 37 37 ASN HA H 1 4.468 0.05 . 1 . . . . 139 N HA . 16193 1 447 . 2 2 37 37 ASN HB2 H 1 3.030 0.05 . 2 . . . . 139 N HB2 . 16193 1 448 . 2 2 37 37 ASN HB3 H 1 2.789 0.05 . 2 . . . . 139 N HB3 . 16193 1 449 . 2 2 37 37 ASN HD21 H 1 7.599 0.05 . 2 . . . . 139 N HD21 . 16193 1 450 . 2 2 37 37 ASN HD22 H 1 6.906 0.05 . 2 . . . . 139 N HD22 . 16193 1 451 . 2 2 37 37 ASN C C 13 176.697 0.2 . 1 . . . . 139 N CO . 16193 1 452 . 2 2 37 37 ASN CA C 13 54.418 0.2 . 1 . . . . 139 N CA . 16193 1 453 . 2 2 37 37 ASN CB C 13 37.383 0.2 . 1 . . . . 139 N CB . 16193 1 454 . 2 2 37 37 ASN N N 15 118.202 0.2 . 1 . . . . 139 N N . 16193 1 455 . 2 2 37 37 ASN ND2 N 15 113.986 0.2 . 1 . . . . 139 N ND2 . 16193 1 456 . 2 2 38 38 GLY H H 1 8.028 0.05 . 1 . . . . 140 G HN . 16193 1 457 . 2 2 38 38 GLY HA2 H 1 4.031 0.05 . 1 . . . . 140 G HA2 . 16193 1 458 . 2 2 38 38 GLY HA3 H 1 3.528 0.05 . 2 . . . . 140 G HA3 . 16193 1 459 . 2 2 38 38 GLY C C 13 173.883 0.2 . 1 . . . . 140 G CO . 16193 1 460 . 2 2 38 38 GLY CA C 13 46.641 0.2 . 1 . . . . 140 G CA . 16193 1 461 . 2 2 38 38 GLY N N 15 104.369 0.2 . 1 . . . . 140 G N . 16193 1 462 . 2 2 39 39 ILE H H 1 7.781 0.05 . 1 . . . . 141 I HN . 16193 1 463 . 2 2 39 39 ILE HA H 1 4.885 0.05 . 1 . . . . 141 I HA . 16193 1 464 . 2 2 39 39 ILE HB H 1 1.680 0.05 . 1 . . . . 141 I HB . 16193 1 465 . 2 2 39 39 ILE HD11 H 1 0.899 0.05 . 1 . . . . 141 I QD1 . 16193 1 466 . 2 2 39 39 ILE HD12 H 1 0.899 0.05 . 1 . . . . 141 I QD1 . 16193 1 467 . 2 2 39 39 ILE HD13 H 1 0.899 0.05 . 1 . . . . 141 I QD1 . 16193 1 468 . 2 2 39 39 ILE HG12 H 1 1.617 0.05 . 2 . . . . 141 I HG12 . 16193 1 469 . 2 2 39 39 ILE HG13 H 1 0.803 0.05 . 2 . . . . 141 I HG13 . 16193 1 470 . 2 2 39 39 ILE HG21 H 1 0.779 0.05 . 1 . . . . 141 I QG2 . 16193 1 471 . 2 2 39 39 ILE HG22 H 1 0.779 0.05 . 1 . . . . 141 I QG2 . 16193 1 472 . 2 2 39 39 ILE HG23 H 1 0.779 0.05 . 1 . . . . 141 I QG2 . 16193 1 473 . 2 2 39 39 ILE C C 13 175.187 0.2 . 1 . . . . 141 I CO . 16193 1 474 . 2 2 39 39 ILE CA C 13 60.687 0.2 . 1 . . . . 141 I CA . 16193 1 475 . 2 2 39 39 ILE CB C 13 39.765 0.2 . 1 . . . . 141 I CB . 16193 1 476 . 2 2 39 39 ILE CD1 C 13 15.005 0.2 . 1 . . . . 141 I CD1 . 16193 1 477 . 2 2 39 39 ILE CG1 C 13 28.365 0.2 . 1 . . . . 141 I CG1 . 16193 1 478 . 2 2 39 39 ILE CG2 C 13 18.102 0.2 . 1 . . . . 141 I CG2 . 16193 1 479 . 2 2 39 39 ILE N N 15 119.824 0.2 . 1 . . . . 141 I N . 16193 1 480 . 2 2 40 40 THR H H 1 9.399 0.05 . 1 . . . . 142 T HN . 16193 1 481 . 2 2 40 40 THR HA H 1 4.428 0.05 . 1 . . . . 142 T HA . 16193 1 482 . 2 2 40 40 THR HB H 1 4.178 0.05 . 1 . . . . 142 T HB . 16193 1 483 . 2 2 40 40 THR HG21 H 1 1.165 0.05 . 1 . . . . 142 T QG2 . 16193 1 484 . 2 2 40 40 THR HG22 H 1 1.165 0.05 . 1 . . . . 142 T QG2 . 16193 1 485 . 2 2 40 40 THR HG23 H 1 1.165 0.05 . 1 . . . . 142 T QG2 . 16193 1 486 . 2 2 40 40 THR C C 13 172.993 0.2 . 1 . . . . 142 T CO . 16193 1 487 . 2 2 40 40 THR CA C 13 62.378 0.2 . 1 . . . . 142 T CA . 16193 1 488 . 2 2 40 40 THR CB C 13 70.174 0.2 . 1 . . . . 142 T CB . 16193 1 489 . 2 2 40 40 THR CG2 C 13 20.802 0.2 . 1 . . . . 142 T CG2 . 16193 1 490 . 2 2 40 40 THR N N 15 126.238 0.2 . 1 . . . . 142 T N . 16193 1 491 . 2 2 41 41 LEU H H 1 8.976 0.05 . 1 . . . . 143 L HN . 16193 1 492 . 2 2 41 41 LEU HA H 1 5.090 0.05 . 1 . . . . 143 L HA . 16193 1 493 . 2 2 41 41 LEU HB2 H 1 1.770 0.05 . 2 . . . . 143 L HB2 . 16193 1 494 . 2 2 41 41 LEU HB3 H 1 1.269 0.05 . 2 . . . . 143 L HB3 . 16193 1 495 . 2 2 41 41 LEU HD11 H 1 0.753 0.05 . 1 . . . . 143 L QD1 . 16193 1 496 . 2 2 41 41 LEU HD12 H 1 0.753 0.05 . 1 . . . . 143 L QD1 . 16193 1 497 . 2 2 41 41 LEU HD13 H 1 0.753 0.05 . 1 . . . . 143 L QD1 . 16193 1 498 . 2 2 41 41 LEU HD21 H 1 0.757 0.05 . 1 . . . . 143 L QD2 . 16193 1 499 . 2 2 41 41 LEU HD22 H 1 0.757 0.05 . 1 . . . . 143 L QD2 . 16193 1 500 . 2 2 41 41 LEU HD23 H 1 0.757 0.05 . 1 . . . . 143 L QD2 . 16193 1 501 . 2 2 41 41 LEU HG H 1 1.431 0.05 . 1 . . . . 143 L HG . 16193 1 502 . 2 2 41 41 LEU CA C 13 51.473 0.2 . 1 . . . . 143 L CA . 16193 1 503 . 2 2 41 41 LEU CB C 13 43.650 0.2 . 1 . . . . 143 L CB . 16193 1 504 . 2 2 41 41 LEU CD1 C 13 25.531 0.2 . 2 . . . . 143 L CD1 . 16193 1 505 . 2 2 41 41 LEU CD2 C 13 25.578 0.2 . 2 . . . . 143 L CD2 . 16193 1 506 . 2 2 41 41 LEU CG C 13 27.062 0.2 . 1 . . . . 143 L CG . 16193 1 507 . 2 2 41 41 LEU N N 15 130.269 0.2 . 1 . . . . 143 L N . 16193 1 508 . 2 2 42 42 PRO HA H 1 4.393 0.05 . 1 . . . . 144 P HA . 16193 1 509 . 2 2 42 42 PRO HB2 H 1 2.277 0.05 . 2 . . . . 144 P HB2 . 16193 1 510 . 2 2 42 42 PRO HB3 H 1 2.015 0.05 . 2 . . . . 144 P HB3 . 16193 1 511 . 2 2 42 42 PRO HD2 H 1 4.068 0.05 . 2 . . . . 144 P HD2 . 16193 1 512 . 2 2 42 42 PRO HD3 H 1 3.631 0.05 . 2 . . . . 144 P HD3 . 16193 1 513 . 2 2 42 42 PRO HG2 H 1 1.948 0.05 . 2 . . . . 144 P HG2 . 16193 1 514 . 2 2 42 42 PRO HG3 H 1 1.786 0.05 . 2 . . . . 144 P HG3 . 16193 1 515 . 2 2 42 42 PRO C C 13 175.872 0.2 . 1 . . . . 144 P CO . 16193 1 516 . 2 2 42 42 PRO CA C 13 63.100 0.2 . 1 . . . . 144 P CA . 16193 1 517 . 2 2 42 42 PRO CB C 13 32.691 0.2 . 1 . . . . 144 P CB . 16193 1 518 . 2 2 42 42 PRO CD C 13 50.956 0.2 . 1 . . . . 144 P CD . 16193 1 519 . 2 2 42 42 PRO CG C 13 27.358 0.2 . 1 . . . . 144 P CG . 16193 1 520 . 2 2 43 43 VAL H H 1 8.039 0.05 . 1 . . . . 145 V HN . 16193 1 521 . 2 2 43 43 VAL HA H 1 4.971 0.05 . 1 . . . . 145 V HA . 16193 1 522 . 2 2 43 43 VAL HB H 1 1.837 0.05 . 1 . . . . 145 V HB . 16193 1 523 . 2 2 43 43 VAL HG11 H 1 0.844 0.05 . 1 . . . . 145 V QG1 . 16193 1 524 . 2 2 43 43 VAL HG12 H 1 0.844 0.05 . 1 . . . . 145 V QG1 . 16193 1 525 . 2 2 43 43 VAL HG13 H 1 0.844 0.05 . 1 . . . . 145 V QG1 . 16193 1 526 . 2 2 43 43 VAL HG21 H 1 0.907 0.05 . 1 . . . . 145 V QG2 . 16193 1 527 . 2 2 43 43 VAL HG22 H 1 0.907 0.05 . 1 . . . . 145 V QG2 . 16193 1 528 . 2 2 43 43 VAL HG23 H 1 0.907 0.05 . 1 . . . . 145 V QG2 . 16193 1 529 . 2 2 43 43 VAL C C 13 175.531 0.2 . 1 . . . . 145 V CO . 16193 1 530 . 2 2 43 43 VAL CA C 13 59.072 0.2 . 1 . . . . 145 V CA . 16193 1 531 . 2 2 43 43 VAL CB C 13 35.682 0.2 . 1 . . . . 145 V CB . 16193 1 532 . 2 2 43 43 VAL CG1 C 13 21.457 0.2 . 2 . . . . 145 V CG1 . 16193 1 533 . 2 2 43 43 VAL CG2 C 13 18.975 0.2 . 2 . . . . 145 V CG2 . 16193 1 534 . 2 2 43 43 VAL N N 15 114.756 0.2 . 1 . . . . 145 V N . 16193 1 535 . 2 2 44 44 ASP H H 1 8.951 0.05 . 1 . . . . 146 D HN . 16193 1 536 . 2 2 44 44 ASP HA H 1 4.728 0.05 . 1 . . . . 146 D HA . 16193 1 537 . 2 2 44 44 ASP HB2 H 1 3.275 0.05 . 2 . . . . 146 D HB2 . 16193 1 538 . 2 2 44 44 ASP HB3 H 1 2.537 0.05 . 2 . . . . 146 D HB3 . 16193 1 539 . 2 2 44 44 ASP CB C 13 40.401 0.2 . 1 . . . . 146 D CB . 16193 1 540 . 2 2 44 44 ASP N N 15 125.385 0.2 . 1 . . . . 146 D N . 16193 1 541 . 2 2 45 45 PRO HA H 1 4.323 0.05 . 1 . . . . 147 P HA . 16193 1 542 . 2 2 45 45 PRO HB2 H 1 2.409 0.05 . 2 . . . . 147 P HB2 . 16193 1 543 . 2 2 45 45 PRO HB3 H 1 1.819 0.05 . 2 . . . . 147 P HB3 . 16193 1 544 . 2 2 45 45 PRO HD2 H 1 3.865 0.05 . 2 . . . . 147 P HD2 . 16193 1 545 . 2 2 45 45 PRO HD3 H 1 3.635 0.05 . 2 . . . . 147 P HD3 . 16193 1 546 . 2 2 45 45 PRO HG2 H 1 2.070 0.05 . 2 . . . . 147 P HG2 . 16193 1 547 . 2 2 45 45 PRO HG3 H 1 1.903 0.05 . 2 . . . . 147 P HG3 . 16193 1 548 . 2 2 45 45 PRO C C 13 177.455 0.2 . 1 . . . . 147 P CO . 16193 1 549 . 2 2 45 45 PRO CA C 13 65.333 0.2 . 1 . . . . 147 P CA . 16193 1 550 . 2 2 45 45 PRO CB C 13 31.982 0.2 . 1 . . . . 147 P CB . 16193 1 551 . 2 2 45 45 PRO CD C 13 51.406 0.2 . 1 . . . . 147 P CD . 16193 1 552 . 2 2 45 45 PRO CG C 13 28.002 0.2 . 1 . . . . 147 P CG . 16193 1 553 . 2 2 46 46 GLU H H 1 8.070 0.05 . 1 . . . . 148 E HN . 16193 1 554 . 2 2 46 46 GLU HA H 1 4.347 0.05 . 1 . . . . 148 E HA . 16193 1 555 . 2 2 46 46 GLU HB2 H 1 2.174 0.05 . 2 . . . . 148 E HB2 . 16193 1 556 . 2 2 46 46 GLU HB3 H 1 2.008 0.05 . 2 . . . . 148 E HB3 . 16193 1 557 . 2 2 46 46 GLU HG2 H 1 2.170 0.05 . 2 . . . . 148 E QG . 16193 1 558 . 2 2 46 46 GLU HG3 H 1 2.170 0.05 . 2 . . . . 148 E QG . 16193 1 559 . 2 2 46 46 GLU C C 13 176.926 0.2 . 1 . . . . 148 E CO . 16193 1 560 . 2 2 46 46 GLU CA C 13 55.650 0.2 . 1 . . . . 148 E CA . 16193 1 561 . 2 2 46 46 GLU CB C 13 29.977 0.2 . 1 . . . . 148 E CB . 16193 1 562 . 2 2 46 46 GLU CG C 13 36.848 0.2 . 1 . . . . 148 E CG . 16193 1 563 . 2 2 46 46 GLU N N 15 114.948 0.2 . 1 . . . . 148 E N . 16193 1 564 . 2 2 47 47 GLY H H 1 8.393 0.05 . 1 . . . . 149 G HN . 16193 1 565 . 2 2 47 47 GLY HA2 H 1 4.191 0.05 . 1 . . . . 149 G HA2 . 16193 1 566 . 2 2 47 47 GLY HA3 H 1 3.479 0.05 . 2 . . . . 149 G HA3 . 16193 1 567 . 2 2 47 47 GLY C C 13 173.674 0.2 . 1 . . . . 149 G CO . 16193 1 568 . 2 2 47 47 GLY CA C 13 45.296 0.2 . 1 . . . . 149 G CA . 16193 1 569 . 2 2 47 47 GLY N N 15 109.007 0.2 . 1 . . . . 149 G N . 16193 1 570 . 2 2 48 48 LYS H H 1 8.179 0.05 . 1 . . . . 150 K HN . 16193 1 571 . 2 2 48 48 LYS HA H 1 4.401 0.05 . 1 . . . . 150 K HA . 16193 1 572 . 2 2 48 48 LYS HB2 H 1 1.727 0.05 . 2 . . . . 150 K HB2 . 16193 1 573 . 2 2 48 48 LYS HB3 H 1 1.661 0.05 . 2 . . . . 150 K HB3 . 16193 1 574 . 2 2 48 48 LYS HD2 H 1 1.289 0.05 . 2 . . . . 150 K HD2 . 16193 1 575 . 2 2 48 48 LYS HD3 H 1 1.162 0.05 . 2 . . . . 150 K HD3 . 16193 1 576 . 2 2 48 48 LYS HE2 H 1 2.448 0.05 . 2 . . . . 150 K HE2 . 16193 1 577 . 2 2 48 48 LYS HE3 H 1 2.332 0.05 . 2 . . . . 150 K HE3 . 16193 1 578 . 2 2 48 48 LYS HG2 H 1 1.298 0.05 . 2 . . . . 150 K HG2 . 16193 1 579 . 2 2 48 48 LYS HG3 H 1 1.181 0.05 . 2 . . . . 150 K HG3 . 16193 1 580 . 2 2 48 48 LYS C C 13 176.384 0.2 . 1 . . . . 150 K CO . 16193 1 581 . 2 2 48 48 LYS CA C 13 55.202 0.2 . 1 . . . . 150 K CA . 16193 1 582 . 2 2 48 48 LYS CB C 13 32.920 0.2 . 1 . . . . 150 K CB . 16193 1 583 . 2 2 48 48 LYS CD C 13 28.922 0.2 . 1 . . . . 150 K CD . 16193 1 584 . 2 2 48 48 LYS CE C 13 41.361 0.2 . 1 . . . . 150 K CE . 16193 1 585 . 2 2 48 48 LYS CG C 13 24.174 0.2 . 1 . . . . 150 K CG . 16193 1 586 . 2 2 48 48 LYS N N 15 123.636 0.2 . 1 . . . . 150 K N . 16193 1 587 . 2 2 49 49 ILE H H 1 8.400 0.05 . 1 . . . . 151 I HN . 16193 1 588 . 2 2 49 49 ILE HA H 1 4.636 0.05 . 1 . . . . 151 I HA . 16193 1 589 . 2 2 49 49 ILE HB H 1 2.597 0.05 . 1 . . . . 151 I HB . 16193 1 590 . 2 2 49 49 ILE HD11 H 1 0.856 0.05 . 1 . . . . 151 I QD1 . 16193 1 591 . 2 2 49 49 ILE HD12 H 1 0.856 0.05 . 1 . . . . 151 I QD1 . 16193 1 592 . 2 2 49 49 ILE HD13 H 1 0.856 0.05 . 1 . . . . 151 I QD1 . 16193 1 593 . 2 2 49 49 ILE HG12 H 1 1.517 0.05 . 2 . . . . 151 I HG12 . 16193 1 594 . 2 2 49 49 ILE HG13 H 1 1.446 0.05 . 2 . . . . 151 I HG13 . 16193 1 595 . 2 2 49 49 ILE HG21 H 1 1.022 0.05 . 1 . . . . 151 I QG2 . 16193 1 596 . 2 2 49 49 ILE HG22 H 1 1.022 0.05 . 1 . . . . 151 I QG2 . 16193 1 597 . 2 2 49 49 ILE HG23 H 1 1.022 0.05 . 1 . . . . 151 I QG2 . 16193 1 598 . 2 2 49 49 ILE C C 13 176.905 0.2 . 1 . . . . 151 I CO . 16193 1 599 . 2 2 49 49 ILE CA C 13 61.994 0.2 . 1 . . . . 151 I CA . 16193 1 600 . 2 2 49 49 ILE CB C 13 37.284 0.2 . 1 . . . . 151 I CB . 16193 1 601 . 2 2 49 49 ILE CD1 C 13 14.534 0.2 . 1 . . . . 151 I CD1 . 16193 1 602 . 2 2 49 49 ILE CG1 C 13 26.399 0.2 . 1 . . . . 151 I CG1 . 16193 1 603 . 2 2 49 49 ILE CG2 C 13 17.971 0.2 . 1 . . . . 151 I CG2 . 16193 1 604 . 2 2 49 49 ILE N N 15 120.487 0.2 . 1 . . . . 151 I N . 16193 1 605 . 2 2 50 50 THR H H 1 8.035 0.05 . 1 . . . . 152 T HN . 16193 1 606 . 2 2 50 50 THR HA H 1 4.383 0.05 . 1 . . . . 152 T HA . 16193 1 607 . 2 2 50 50 THR HB H 1 4.449 0.05 . 1 . . . . 152 T HB . 16193 1 608 . 2 2 50 50 THR HG21 H 1 1.161 0.05 . 1 . . . . 152 T QG2 . 16193 1 609 . 2 2 50 50 THR HG22 H 1 1.161 0.05 . 1 . . . . 152 T QG2 . 16193 1 610 . 2 2 50 50 THR HG23 H 1 1.161 0.05 . 1 . . . . 152 T QG2 . 16193 1 611 . 2 2 50 50 THR C C 13 177.084 0.2 . 1 . . . . 152 T CO . 16193 1 612 . 2 2 50 50 THR CA C 13 62.800 0.2 . 1 . . . . 152 T CA . 16193 1 613 . 2 2 50 50 THR CB C 13 69.495 0.2 . 1 . . . . 152 T CB . 16193 1 614 . 2 2 50 50 THR CG2 C 13 22.099 0.2 . 1 . . . . 152 T CG2 . 16193 1 615 . 2 2 50 50 THR N N 15 112.834 0.2 . 1 . . . . 152 T N . 16193 1 616 . 2 2 51 51 GLY H H 1 8.629 0.05 . 1 . . . . 153 G HN . 16193 1 617 . 2 2 51 51 GLY HA2 H 1 4.573 0.05 . 1 . . . . 153 G HA2 . 16193 1 618 . 2 2 51 51 GLY HA3 H 1 3.341 0.05 . 2 . . . . 153 G HA3 . 16193 1 619 . 2 2 51 51 GLY C C 13 172.464 0.2 . 1 . . . . 153 G CO . 16193 1 620 . 2 2 51 51 GLY CA C 13 44.810 0.2 . 1 . . . . 153 G CA . 16193 1 621 . 2 2 51 51 GLY N N 15 108.535 0.2 . 1 . . . . 153 G N . 16193 1 622 . 2 2 52 52 GLU H H 1 7.513 0.05 . 1 . . . . 154 E HN . 16193 1 623 . 2 2 52 52 GLU HA H 1 5.210 0.05 . 1 . . . . 154 E HA . 16193 1 624 . 2 2 52 52 GLU HB2 H 1 1.799 0.05 . 2 . . . . 154 E HB2 . 16193 1 625 . 2 2 52 52 GLU HB3 H 1 1.662 0.05 . 2 . . . . 154 E HB3 . 16193 1 626 . 2 2 52 52 GLU HG2 H 1 2.139 0.05 . 2 . . . . 154 E HG2 . 16193 1 627 . 2 2 52 52 GLU HG3 H 1 1.973 0.05 . 2 . . . . 154 E HG3 . 16193 1 628 . 2 2 52 52 GLU C C 13 175.158 0.2 . 1 . . . . 154 E CO . 16193 1 629 . 2 2 52 52 GLU CA C 13 54.130 0.2 . 1 . . . . 154 E CA . 16193 1 630 . 2 2 52 52 GLU CB C 13 33.089 0.2 . 1 . . . . 154 E CB . 16193 1 631 . 2 2 52 52 GLU CG C 13 37.585 0.2 . 1 . . . . 154 E CG . 16193 1 632 . 2 2 52 52 GLU N N 15 119.150 0.2 . 1 . . . . 154 E N . 16193 1 633 . 2 2 53 53 ALA H H 1 7.926 0.05 . 1 . . . . 155 A HN . 16193 1 634 . 2 2 53 53 ALA HA H 1 4.883 0.05 . 1 . . . . 155 A HA . 16193 1 635 . 2 2 53 53 ALA HB1 H 1 1.215 0.05 . 1 . . . . 155 A QB . 16193 1 636 . 2 2 53 53 ALA HB2 H 1 1.215 0.05 . 1 . . . . 155 A QB . 16193 1 637 . 2 2 53 53 ALA HB3 H 1 1.215 0.05 . 1 . . . . 155 A QB . 16193 1 638 . 2 2 53 53 ALA C C 13 174.619 0.2 . 1 . . . . 155 A CO . 16193 1 639 . 2 2 53 53 ALA CA C 13 51.067 0.2 . 1 . . . . 155 A CA . 16193 1 640 . 2 2 53 53 ALA CB C 13 23.912 0.2 . 1 . . . . 155 A CB . 16193 1 641 . 2 2 53 53 ALA N N 15 117.428 0.2 . 1 . . . . 155 A N . 16193 1 642 . 2 2 54 54 PHE H H 1 8.819 0.05 . 1 . . . . 156 F HN . 16193 1 643 . 2 2 54 54 PHE HA H 1 5.583 0.05 . 1 . . . . 156 F HA . 16193 1 644 . 2 2 54 54 PHE HB2 H 1 3.063 0.05 . 2 . . . . 156 F HB2 . 16193 1 645 . 2 2 54 54 PHE HB3 H 1 2.844 0.05 . 2 . . . . 156 F HB3 . 16193 1 646 . 2 2 54 54 PHE HD1 H 1 7.021 0.05 . 3 . . . . 156 F QD . 16193 1 647 . 2 2 54 54 PHE HD2 H 1 7.021 0.05 . 3 . . . . 156 F QD . 16193 1 648 . 2 2 54 54 PHE HE1 H 1 7.068 0.05 . 3 . . . . 156 F QE . 16193 1 649 . 2 2 54 54 PHE HE2 H 1 7.068 0.05 . 3 . . . . 156 F QE . 16193 1 650 . 2 2 54 54 PHE HZ H 1 7.109 0.05 . 1 . . . . 156 F HZ . 16193 1 651 . 2 2 54 54 PHE C C 13 174.644 0.2 . 1 . . . . 156 F CO . 16193 1 652 . 2 2 54 54 PHE CA C 13 56.843 0.2 . 1 . . . . 156 F CA . 16193 1 653 . 2 2 54 54 PHE CB C 13 42.812 0.2 . 1 . . . . 156 F CB . 16193 1 654 . 2 2 54 54 PHE N N 15 117.030 0.2 . 1 . . . . 156 F N . 16193 1 655 . 2 2 55 55 VAL H H 1 9.103 0.05 . 1 . . . . 157 V HN . 16193 1 656 . 2 2 55 55 VAL HA H 1 4.690 0.05 . 1 . . . . 157 V HA . 16193 1 657 . 2 2 55 55 VAL HB H 1 1.529 0.05 . 1 . . . . 157 V HB . 16193 1 658 . 2 2 55 55 VAL HG11 H 1 0.784 0.05 . 1 . . . . 157 V QG1 . 16193 1 659 . 2 2 55 55 VAL HG12 H 1 0.784 0.05 . 1 . . . . 157 V QG1 . 16193 1 660 . 2 2 55 55 VAL HG13 H 1 0.784 0.05 . 1 . . . . 157 V QG1 . 16193 1 661 . 2 2 55 55 VAL HG21 H 1 -0.080 0.05 . 1 . . . . 157 V QG2 . 16193 1 662 . 2 2 55 55 VAL HG22 H 1 -0.080 0.05 . 1 . . . . 157 V QG2 . 16193 1 663 . 2 2 55 55 VAL HG23 H 1 -0.080 0.05 . 1 . . . . 157 V QG2 . 16193 1 664 . 2 2 55 55 VAL C C 13 172.511 0.2 . 1 . . . . 157 V CO . 16193 1 665 . 2 2 55 55 VAL CB C 13 34.862 0.2 . 1 . . . . 157 V CB . 16193 1 666 . 2 2 55 55 VAL CG1 C 13 21.930 0.2 . 2 . . . . 157 V CG1 . 16193 1 667 . 2 2 55 55 VAL CG2 C 13 22.601 0.2 . 2 . . . . 157 V CG2 . 16193 1 668 . 2 2 55 55 VAL N N 15 123.031 0.2 . 1 . . . . 157 V N . 16193 1 669 . 2 2 56 56 GLN H H 1 8.326 0.05 . 1 . . . . 158 Q HN . 16193 1 670 . 2 2 56 56 GLN HA H 1 4.006 0.05 . 1 . . . . 158 Q HA . 16193 1 671 . 2 2 56 56 GLN HB2 H 1 1.639 0.05 . 2 . . . . 158 Q HB2 . 16193 1 672 . 2 2 56 56 GLN HB3 H 1 0.797 0.05 . 2 . . . . 158 Q HB3 . 16193 1 673 . 2 2 56 56 GLN HE21 H 1 7.397 0.05 . 2 . . . . 158 Q HE21 . 16193 1 674 . 2 2 56 56 GLN HE22 H 1 6.603 0.05 . 2 . . . . 158 Q HE22 . 16193 1 675 . 2 2 56 56 GLN HG2 H 1 1.718 0.05 . 2 . . . . 158 Q HG2 . 16193 1 676 . 2 2 56 56 GLN HG3 H 1 0.914 0.05 . 2 . . . . 158 Q HG3 . 16193 1 677 . 2 2 56 56 GLN C C 13 174.005 0.2 . 1 . . . . 158 Q CO . 16193 1 678 . 2 2 56 56 GLN CA C 13 53.609 0.2 . 1 . . . . 158 Q CA . 16193 1 679 . 2 2 56 56 GLN CB C 13 28.471 0.2 . 1 . . . . 158 Q CB . 16193 1 680 . 2 2 56 56 GLN CG C 13 32.599 0.2 . 1 . . . . 158 Q CG . 16193 1 681 . 2 2 56 56 GLN N N 15 127.373 0.2 . 1 . . . . 158 Q N . 16193 1 682 . 2 2 56 56 GLN NE2 N 15 109.882 0.2 . 1 . . . . 158 Q NE2 . 16193 1 683 . 2 2 57 57 PHE H H 1 8.575 0.05 . 1 . . . . 159 F HN . 16193 1 684 . 2 2 57 57 PHE HA H 1 4.705 0.05 . 1 . . . . 159 F HA . 16193 1 685 . 2 2 57 57 PHE HB2 H 1 3.129 0.05 . 2 . . . . 159 F HB2 . 16193 1 686 . 2 2 57 57 PHE HB3 H 1 2.812 0.05 . 2 . . . . 159 F HB3 . 16193 1 687 . 2 2 57 57 PHE HD1 H 1 6.943 0.05 . 3 . . . . 159 F QD . 16193 1 688 . 2 2 57 57 PHE HD2 H 1 6.943 0.05 . 3 . . . . 159 F QD . 16193 1 689 . 2 2 57 57 PHE HE1 H 1 6.563 0.05 . 3 . . . . 159 F QE . 16193 1 690 . 2 2 57 57 PHE HE2 H 1 6.563 0.05 . 3 . . . . 159 F QE . 16193 1 691 . 2 2 57 57 PHE C C 13 176.561 0.2 . 1 . . . . 159 F CO . 16193 1 692 . 2 2 57 57 PHE CB C 13 41.771 0.2 . 1 . . . . 159 F CB . 16193 1 693 . 2 2 57 57 PHE CD1 C 13 128.322 0.2 . 3 . . . . 159 F CD1 . 16193 1 694 . 2 2 57 57 PHE N N 15 123.974 0.2 . 1 . . . . 159 F N . 16193 1 695 . 2 2 58 58 ALA H H 1 8.206 0.05 . 1 . . . . 160 A HN . 16193 1 696 . 2 2 58 58 ALA HA H 1 3.819 0.05 . 1 . . . . 160 A HA . 16193 1 697 . 2 2 58 58 ALA HB1 H 1 1.257 0.05 . 1 . . . . 160 A QB . 16193 1 698 . 2 2 58 58 ALA HB2 H 1 1.257 0.05 . 1 . . . . 160 A QB . 16193 1 699 . 2 2 58 58 ALA HB3 H 1 1.257 0.05 . 1 . . . . 160 A QB . 16193 1 700 . 2 2 58 58 ALA C C 13 175.514 0.2 . 1 . . . . 160 A CO . 16193 1 701 . 2 2 58 58 ALA CA C 13 53.784 0.2 . 1 . . . . 160 A CA . 16193 1 702 . 2 2 58 58 ALA CB C 13 18.531 0.2 . 1 . . . . 160 A CB . 16193 1 703 . 2 2 58 58 ALA N N 15 118.039 0.2 . 1 . . . . 160 A N . 16193 1 704 . 2 2 59 59 SER H H 1 7.236 0.05 . 1 . . . . 161 S HN . 16193 1 705 . 2 2 59 59 SER HA H 1 4.702 0.05 . 1 . . . . 161 S HA . 16193 1 706 . 2 2 59 59 SER HB2 H 1 4.246 0.05 . 2 . . . . 161 S HB2 . 16193 1 707 . 2 2 59 59 SER HB3 H 1 3.937 0.05 . 2 . . . . 161 S HB3 . 16193 1 708 . 2 2 59 59 SER C C 13 174.119 0.2 . 1 . . . . 161 S CO . 16193 1 709 . 2 2 59 59 SER CB C 13 66.530 0.2 . 1 . . . . 161 S CB . 16193 1 710 . 2 2 59 59 SER N N 15 108.080 0.2 . 1 . . . . 161 S N . 16193 1 711 . 2 2 60 60 GLN H H 1 9.072 0.05 . 1 . . . . 162 Q HN . 16193 1 712 . 2 2 60 60 GLN HA H 1 3.995 0.05 . 1 . . . . 162 Q HA . 16193 1 713 . 2 2 60 60 GLN HB2 H 1 2.117 0.05 . 2 . . . . 162 Q HB2 . 16193 1 714 . 2 2 60 60 GLN HB3 H 1 1.997 0.05 . 2 . . . . 162 Q HB3 . 16193 1 715 . 2 2 60 60 GLN HE21 H 1 7.695 0.05 . 2 . . . . 162 Q HE21 . 16193 1 716 . 2 2 60 60 GLN HE22 H 1 6.923 0.05 . 2 . . . . 162 Q HE22 . 16193 1 717 . 2 2 60 60 GLN HG2 H 1 2.433 0.05 . 2 . . . . 162 Q QG . 16193 1 718 . 2 2 60 60 GLN HG3 H 1 2.433 0.05 . 2 . . . . 162 Q QG . 16193 1 719 . 2 2 60 60 GLN C C 13 177.524 0.2 . 1 . . . . 162 Q CO . 16193 1 720 . 2 2 60 60 GLN CA C 13 58.654 0.2 . 1 . . . . 162 Q CA . 16193 1 721 . 2 2 60 60 GLN CB C 13 28.124 0.2 . 1 . . . . 162 Q CB . 16193 1 722 . 2 2 60 60 GLN CG C 13 33.265 0.2 . 1 . . . . 162 Q CG . 16193 1 723 . 2 2 60 60 GLN N N 15 121.980 0.2 . 1 . . . . 162 Q N . 16193 1 724 . 2 2 60 60 GLN NE2 N 15 112.035 0.2 . 1 . . . . 162 Q NE2 . 16193 1 725 . 2 2 61 61 GLU H H 1 8.577 0.05 . 1 . . . . 163 E HN . 16193 1 726 . 2 2 61 61 GLU HA H 1 3.962 0.05 . 1 . . . . 163 E HA . 16193 1 727 . 2 2 61 61 GLU HB2 H 1 2.026 0.05 . 2 . . . . 163 E HB2 . 16193 1 728 . 2 2 61 61 GLU HB3 H 1 1.857 0.05 . 2 . . . . 163 E HB3 . 16193 1 729 . 2 2 61 61 GLU HG2 H 1 2.194 0.05 . 2 . . . . 163 E QG . 16193 1 730 . 2 2 61 61 GLU HG3 H 1 2.194 0.05 . 2 . . . . 163 E QG . 16193 1 731 . 2 2 61 61 GLU C C 13 179.482 0.2 . 1 . . . . 163 E CO . 16193 1 732 . 2 2 61 61 GLU CA C 13 59.805 0.2 . 1 . . . . 163 E CA . 16193 1 733 . 2 2 61 61 GLU CB C 13 28.964 0.2 . 1 . . . . 163 E CB . 16193 1 734 . 2 2 61 61 GLU CG C 13 36.596 0.2 . 1 . . . . 163 E CG . 16193 1 735 . 2 2 61 61 GLU N N 15 120.135 0.2 . 1 . . . . 163 E N . 16193 1 736 . 2 2 62 62 LEU H H 1 7.564 0.05 . 1 . . . . 164 L HN . 16193 1 737 . 2 2 62 62 LEU HA H 1 3.793 0.05 . 1 . . . . 164 L HA . 16193 1 738 . 2 2 62 62 LEU HB2 H 1 1.927 0.05 . 2 . . . . 164 L HB2 . 16193 1 739 . 2 2 62 62 LEU HB3 H 1 1.086 0.05 . 2 . . . . 164 L HB3 . 16193 1 740 . 2 2 62 62 LEU HD11 H 1 1.234 0.05 . 1 . . . . 164 L QD1 . 16193 1 741 . 2 2 62 62 LEU HD12 H 1 1.234 0.05 . 1 . . . . 164 L QD1 . 16193 1 742 . 2 2 62 62 LEU HD13 H 1 1.234 0.05 . 1 . . . . 164 L QD1 . 16193 1 743 . 2 2 62 62 LEU HD21 H 1 0.942 0.05 . 1 . . . . 164 L QD2 . 16193 1 744 . 2 2 62 62 LEU HD22 H 1 0.942 0.05 . 1 . . . . 164 L QD2 . 16193 1 745 . 2 2 62 62 LEU HD23 H 1 0.942 0.05 . 1 . . . . 164 L QD2 . 16193 1 746 . 2 2 62 62 LEU HG H 1 1.675 0.05 . 1 . . . . 164 L HG . 16193 1 747 . 2 2 62 62 LEU C C 13 177.435 0.2 . 1 . . . . 164 L CO . 16193 1 748 . 2 2 62 62 LEU CA C 13 57.392 0.2 . 1 . . . . 164 L CA . 16193 1 749 . 2 2 62 62 LEU CB C 13 42.512 0.2 . 1 . . . . 164 L CB . 16193 1 750 . 2 2 62 62 LEU CD1 C 13 27.024 0.2 . 2 . . . . 164 L CD1 . 16193 1 751 . 2 2 62 62 LEU CD2 C 13 24.063 0.2 . 2 . . . . 164 L CD2 . 16193 1 752 . 2 2 62 62 LEU CG C 13 27.356 0.2 . 1 . . . . 164 L CG . 16193 1 753 . 2 2 62 62 LEU N N 15 119.910 0.2 . 1 . . . . 164 L N . 16193 1 754 . 2 2 63 63 ALA H H 1 7.183 0.05 . 1 . . . . 165 A HN . 16193 1 755 . 2 2 63 63 ALA HA H 1 3.315 0.05 . 1 . . . . 165 A HA . 16193 1 756 . 2 2 63 63 ALA HB1 H 1 1.378 0.05 . 1 . . . . 165 A QB . 16193 1 757 . 2 2 63 63 ALA HB2 H 1 1.378 0.05 . 1 . . . . 165 A QB . 16193 1 758 . 2 2 63 63 ALA HB3 H 1 1.378 0.05 . 1 . . . . 165 A QB . 16193 1 759 . 2 2 63 63 ALA C C 13 178.725 0.2 . 1 . . . . 165 A CO . 16193 1 760 . 2 2 63 63 ALA CA C 13 54.508 0.2 . 1 . . . . 165 A CA . 16193 1 761 . 2 2 63 63 ALA CB C 13 17.855 0.2 . 1 . . . . 165 A CB . 16193 1 762 . 2 2 63 63 ALA N N 15 120.852 0.2 . 1 . . . . 165 A N . 16193 1 763 . 2 2 64 64 GLU H H 1 7.951 0.05 . 1 . . . . 166 E HN . 16193 1 764 . 2 2 64 64 GLU HA H 1 3.862 0.05 . 1 . . . . 166 E HA . 16193 1 765 . 2 2 64 64 GLU HB2 H 1 2.071 0.05 . 2 . . . . 166 E HB2 . 16193 1 766 . 2 2 64 64 GLU HB3 H 1 1.993 0.05 . 2 . . . . 166 E HB3 . 16193 1 767 . 2 2 64 64 GLU HG2 H 1 2.342 0.05 . 2 . . . . 166 E HG2 . 16193 1 768 . 2 2 64 64 GLU HG3 H 1 2.230 0.05 . 2 . . . . 166 E HG3 . 16193 1 769 . 2 2 64 64 GLU C C 13 180.308 0.2 . 1 . . . . 166 E CO . 16193 1 770 . 2 2 64 64 GLU CA C 13 59.139 0.2 . 1 . . . . 166 E CA . 16193 1 771 . 2 2 64 64 GLU CB C 13 28.906 0.2 . 1 . . . . 166 E CB . 16193 1 772 . 2 2 64 64 GLU CG C 13 36.419 0.2 . 1 . . . . 166 E CG . 16193 1 773 . 2 2 64 64 GLU N N 15 116.066 0.2 . 1 . . . . 166 E N . 16193 1 774 . 2 2 65 65 LYS H H 1 7.527 0.05 . 1 . . . . 167 K HN . 16193 1 775 . 2 2 65 65 LYS HA H 1 3.926 0.05 . 1 . . . . 167 K HA . 16193 1 776 . 2 2 65 65 LYS HB2 H 1 1.863 0.05 . 2 . . . . 167 K HB2 . 16193 1 777 . 2 2 65 65 LYS HB3 H 1 1.717 0.05 . 2 . . . . 167 K HB3 . 16193 1 778 . 2 2 65 65 LYS HD2 H 1 1.562 0.05 . 2 . . . . 167 K HD2 . 16193 1 779 . 2 2 65 65 LYS HD3 H 1 1.504 0.05 . 2 . . . . 167 K HD3 . 16193 1 780 . 2 2 65 65 LYS HE2 H 1 2.856 0.05 . 2 . . . . 167 K QE . 16193 1 781 . 2 2 65 65 LYS HE3 H 1 2.856 0.05 . 2 . . . . 167 K QE . 16193 1 782 . 2 2 65 65 LYS HG2 H 1 1.556 0.05 . 2 . . . . 167 K HG2 . 16193 1 783 . 2 2 65 65 LYS HG3 H 1 1.375 0.05 . 2 . . . . 167 K HG3 . 16193 1 784 . 2 2 65 65 LYS C C 13 180.305 0.2 . 1 . . . . 167 K CO . 16193 1 785 . 2 2 65 65 LYS CA C 13 59.043 0.2 . 1 . . . . 167 K CA . 16193 1 786 . 2 2 65 65 LYS CB C 13 32.210 0.2 . 1 . . . . 167 K CB . 16193 1 787 . 2 2 65 65 LYS CD C 13 29.190 0.2 . 1 . . . . 167 K CD . 16193 1 788 . 2 2 65 65 LYS CE C 13 41.963 0.2 . 1 . . . . 167 K CE . 16193 1 789 . 2 2 65 65 LYS CG C 13 25.573 0.2 . 1 . . . . 167 K CG . 16193 1 790 . 2 2 65 65 LYS N N 15 120.498 0.2 . 1 . . . . 167 K N . 16193 1 791 . 2 2 66 66 ALA H H 1 7.941 0.05 . 1 . . . . 168 A HN . 16193 1 792 . 2 2 66 66 ALA HA H 1 3.574 0.05 . 1 . . . . 168 A HA . 16193 1 793 . 2 2 66 66 ALA HB1 H 1 0.768 0.05 . 1 . . . . 168 A QB . 16193 1 794 . 2 2 66 66 ALA HB2 H 1 0.768 0.05 . 1 . . . . 168 A QB . 16193 1 795 . 2 2 66 66 ALA HB3 H 1 0.768 0.05 . 1 . . . . 168 A QB . 16193 1 796 . 2 2 66 66 ALA C C 13 178.776 0.2 . 1 . . . . 168 A CO . 16193 1 797 . 2 2 66 66 ALA CA C 13 54.961 0.2 . 1 . . . . 168 A CA . 16193 1 798 . 2 2 66 66 ALA CB C 13 19.414 0.2 . 1 . . . . 168 A CB . 16193 1 799 . 2 2 66 66 ALA N N 15 124.749 0.2 . 1 . . . . 168 A N . 16193 1 800 . 2 2 67 67 LEU H H 1 7.240 0.05 . 1 . . . . 169 L HN . 16193 1 801 . 2 2 67 67 LEU HA H 1 3.859 0.05 . 1 . . . . 169 L HA . 16193 1 802 . 2 2 67 67 LEU HB2 H 1 1.852 0.05 . 2 . . . . 169 L HB2 . 16193 1 803 . 2 2 67 67 LEU HB3 H 1 1.522 0.05 . 2 . . . . 169 L HB3 . 16193 1 804 . 2 2 67 67 LEU HD11 H 1 0.934 0.05 . 1 . . . . 169 L QD1 . 16193 1 805 . 2 2 67 67 LEU HD12 H 1 0.934 0.05 . 1 . . . . 169 L QD1 . 16193 1 806 . 2 2 67 67 LEU HD13 H 1 0.934 0.05 . 1 . . . . 169 L QD1 . 16193 1 807 . 2 2 67 67 LEU HD21 H 1 0.734 0.05 . 1 . . . . 169 L QD2 . 16193 1 808 . 2 2 67 67 LEU HD22 H 1 0.734 0.05 . 1 . . . . 169 L QD2 . 16193 1 809 . 2 2 67 67 LEU HD23 H 1 0.734 0.05 . 1 . . . . 169 L QD2 . 16193 1 810 . 2 2 67 67 LEU HG H 1 1.977 0.05 . 1 . . . . 169 L HG . 16193 1 811 . 2 2 67 67 LEU C C 13 179.954 0.2 . 1 . . . . 169 L CO . 16193 1 812 . 2 2 67 67 LEU CA C 13 57.315 0.2 . 1 . . . . 169 L CA . 16193 1 813 . 2 2 67 67 LEU CB C 13 40.547 0.2 . 1 . . . . 169 L CB . 16193 1 814 . 2 2 67 67 LEU CD1 C 13 25.712 0.2 . 2 . . . . 169 L CD1 . 16193 1 815 . 2 2 67 67 LEU CD2 C 13 22.757 0.2 . 2 . . . . 169 L CD2 . 16193 1 816 . 2 2 67 67 LEU CG C 13 26.535 0.2 . 1 . . . . 169 L CG . 16193 1 817 . 2 2 67 67 LEU N N 15 114.781 0.2 . 1 . . . . 169 L N . 16193 1 818 . 2 2 68 68 GLY H H 1 7.913 0.05 . 1 . . . . 170 G HN . 16193 1 819 . 2 2 68 68 GLY HA2 H 1 4.107 0.05 . 1 . . . . 170 G HA2 . 16193 1 820 . 2 2 68 68 GLY HA3 H 1 3.863 0.05 . 2 . . . . 170 G HA3 . 16193 1 821 . 2 2 68 68 GLY C C 13 174.939 0.2 . 1 . . . . 170 G CO . 16193 1 822 . 2 2 68 68 GLY CA C 13 45.998 0.2 . 1 . . . . 170 G CA . 16193 1 823 . 2 2 68 68 GLY N N 15 106.142 0.2 . 1 . . . . 170 G N . 16193 1 824 . 2 2 69 69 LYS H H 1 7.788 0.05 . 1 . . . . 171 K HN . 16193 1 825 . 2 2 69 69 LYS HA H 1 4.172 0.05 . 1 . . . . 171 K HA . 16193 1 826 . 2 2 69 69 LYS HB2 H 1 1.855 0.05 . 2 . . . . 171 K HB2 . 16193 1 827 . 2 2 69 69 LYS HB3 H 1 1.701 0.05 . 2 . . . . 171 K HB3 . 16193 1 828 . 2 2 69 69 LYS HD2 H 1 1.230 0.05 . 2 . . . . 171 K HD2 . 16193 1 829 . 2 2 69 69 LYS HD3 H 1 1.148 0.05 . 2 . . . . 171 K HD3 . 16193 1 830 . 2 2 69 69 LYS HE2 H 1 2.537 0.05 . 2 . . . . 171 K HE2 . 16193 1 831 . 2 2 69 69 LYS HE3 H 1 2.360 0.05 . 2 . . . . 171 K HE3 . 16193 1 832 . 2 2 69 69 LYS HG2 H 1 1.287 0.05 . 2 . . . . 171 K HG2 . 16193 1 833 . 2 2 69 69 LYS HG3 H 1 1.183 0.05 . 2 . . . . 171 K HG3 . 16193 1 834 . 2 2 69 69 LYS C C 13 174.743 0.2 . 1 . . . . 171 K CO . 16193 1 835 . 2 2 69 69 LYS CA C 13 54.741 0.2 . 1 . . . . 171 K CA . 16193 1 836 . 2 2 69 69 LYS CB C 13 31.030 0.2 . 1 . . . . 171 K CB . 16193 1 837 . 2 2 69 69 LYS CD C 13 27.279 0.2 . 1 . . . . 171 K CD . 16193 1 838 . 2 2 69 69 LYS CE C 13 41.697 0.2 . 1 . . . . 171 K CE . 16193 1 839 . 2 2 69 69 LYS CG C 13 24.312 0.2 . 1 . . . . 171 K CG . 16193 1 840 . 2 2 69 69 LYS N N 15 118.536 0.2 . 1 . . . . 171 K N . 16193 1 841 . 2 2 70 70 HIS H H 1 7.347 0.05 . 1 . . . . 172 H HN . 16193 1 842 . 2 2 70 70 HIS HA H 1 4.458 0.05 . 1 . . . . 172 H HA . 16193 1 843 . 2 2 70 70 HIS HB2 H 1 3.347 0.05 . 2 . . . . 172 H HB2 . 16193 1 844 . 2 2 70 70 HIS HB3 H 1 3.075 0.05 . 2 . . . . 172 H HB3 . 16193 1 845 . 2 2 70 70 HIS HD2 H 1 7.032 0.05 . 1 . . . . 172 H HD2 . 16193 1 846 . 2 2 70 70 HIS HE1 H 1 7.446 0.05 . 1 . . . . 172 H HE1 . 16193 1 847 . 2 2 70 70 HIS C C 13 176.167 0.2 . 1 . . . . 172 H CO . 16193 1 848 . 2 2 70 70 HIS CA C 13 59.213 0.2 . 1 . . . . 172 H CA . 16193 1 849 . 2 2 70 70 HIS CB C 13 32.081 0.2 . 1 . . . . 172 H CB . 16193 1 850 . 2 2 70 70 HIS CD2 C 13 114.976 0.2 . 1 . . . . 172 H CD2 . 16193 1 851 . 2 2 70 70 HIS CE1 C 13 134.978 0.2 . 1 . . . . 172 H CE1 . 16193 1 852 . 2 2 70 70 HIS N N 15 118.329 0.2 . 1 . . . . 172 H N . 16193 1 853 . 2 2 71 71 LYS H H 1 9.318 0.05 . 1 . . . . 173 K HN . 16193 1 854 . 2 2 71 71 LYS HA H 1 3.168 0.05 . 1 . . . . 173 K HA . 16193 1 855 . 2 2 71 71 LYS HB2 H 1 1.880 0.05 . 2 . . . . 173 K HB2 . 16193 1 856 . 2 2 71 71 LYS HB3 H 1 1.661 0.05 . 2 . . . . 173 K HB3 . 16193 1 857 . 2 2 71 71 LYS HD2 H 1 1.247 0.05 . 2 . . . . 173 K HD2 . 16193 1 858 . 2 2 71 71 LYS HD3 H 1 1.183 0.05 . 2 . . . . 173 K HD3 . 16193 1 859 . 2 2 71 71 LYS HE2 H 1 2.489 0.05 . 2 . . . . 173 K QE . 16193 1 860 . 2 2 71 71 LYS HE3 H 1 2.489 0.05 . 2 . . . . 173 K QE . 16193 1 861 . 2 2 71 71 LYS HG2 H 1 0.430 0.05 . 2 . . . . 173 K HG2 . 16193 1 862 . 2 2 71 71 LYS HG3 H 1 0.232 0.05 . 2 . . . . 173 K HG3 . 16193 1 863 . 2 2 71 71 LYS C C 13 175.905 0.2 . 1 . . . . 173 K CO . 16193 1 864 . 2 2 71 71 LYS CA C 13 60.576 0.2 . 1 . . . . 173 K CA . 16193 1 865 . 2 2 71 71 LYS CB C 13 28.295 0.2 . 1 . . . . 173 K CB . 16193 1 866 . 2 2 71 71 LYS CD C 13 28.973 0.2 . 1 . . . . 173 K CD . 16193 1 867 . 2 2 71 71 LYS CE C 13 41.592 0.2 . 1 . . . . 173 K CE . 16193 1 868 . 2 2 71 71 LYS CG C 13 25.749 0.2 . 1 . . . . 173 K CG . 16193 1 869 . 2 2 71 71 LYS N N 15 120.914 0.2 . 1 . . . . 173 K N . 16193 1 870 . 2 2 72 72 GLU H H 1 8.355 0.05 . 1 . . . . 174 E HN . 16193 1 871 . 2 2 72 72 GLU HA H 1 4.500 0.05 . 1 . . . . 174 E HA . 16193 1 872 . 2 2 72 72 GLU HB2 H 1 2.270 0.05 . 2 . . . . 174 E QB . 16193 1 873 . 2 2 72 72 GLU HB3 H 1 2.270 0.05 . 2 . . . . 174 E QB . 16193 1 874 . 2 2 72 72 GLU HG2 H 1 2.249 0.05 . 2 . . . . 174 E HG2 . 16193 1 875 . 2 2 72 72 GLU HG3 H 1 2.114 0.05 . 2 . . . . 174 E HG3 . 16193 1 876 . 2 2 72 72 GLU C C 13 175.564 0.2 . 1 . . . . 174 E CO . 16193 1 877 . 2 2 72 72 GLU CA C 13 57.263 0.2 . 1 . . . . 174 E CA . 16193 1 878 . 2 2 72 72 GLU CB C 13 29.133 0.2 . 1 . . . . 174 E CB . 16193 1 879 . 2 2 72 72 GLU CG C 13 37.401 0.2 . 1 . . . . 174 E CG . 16193 1 880 . 2 2 72 72 GLU N N 15 118.852 0.2 . 1 . . . . 174 E N . 16193 1 881 . 2 2 73 73 ARG H H 1 8.526 0.05 . 1 . . . . 175 R HN . 16193 1 882 . 2 2 73 73 ARG HA H 1 5.161 0.05 . 1 . . . . 175 R HA . 16193 1 883 . 2 2 73 73 ARG HB2 H 1 1.600 0.05 . 2 . . . . 175 R HB2 . 16193 1 884 . 2 2 73 73 ARG HB3 H 1 1.563 0.05 . 2 . . . . 175 R HB3 . 16193 1 885 . 2 2 73 73 ARG HD2 H 1 3.030 0.05 . 2 . . . . 175 R HD2 . 16193 1 886 . 2 2 73 73 ARG HD3 H 1 3.022 0.05 . 2 . . . . 175 R HD3 . 16193 1 887 . 2 2 73 73 ARG HE H 1 7.149 0.05 . 1 . . . . 175 R HE . 16193 1 888 . 2 2 73 73 ARG HG2 H 1 1.566 0.05 . 2 . . . . 175 R HG2 . 16193 1 889 . 2 2 73 73 ARG HG3 H 1 1.130 0.05 . 2 . . . . 175 R HG3 . 16193 1 890 . 2 2 73 73 ARG C C 13 177.997 0.2 . 1 . . . . 175 R CO . 16193 1 891 . 2 2 73 73 ARG CA C 13 56.901 0.2 . 1 . . . . 175 R CA . 16193 1 892 . 2 2 73 73 ARG CB C 13 33.471 0.2 . 1 . . . . 175 R CB . 16193 1 893 . 2 2 73 73 ARG CD C 13 43.368 0.2 . 1 . . . . 175 R CD . 16193 1 894 . 2 2 73 73 ARG CG C 13 27.944 0.2 . 1 . . . . 175 R CG . 16193 1 895 . 2 2 73 73 ARG N N 15 117.311 0.2 . 1 . . . . 175 R N . 16193 1 896 . 2 2 73 73 ARG NE N 15 84.373 0.2 . 1 . . . . 175 R NE . 16193 1 897 . 2 2 74 74 ILE H H 1 7.873 0.05 . 1 . . . . 176 I HN . 16193 1 898 . 2 2 74 74 ILE HA H 1 3.872 0.05 . 1 . . . . 176 I HA . 16193 1 899 . 2 2 74 74 ILE HB H 1 1.032 0.05 . 1 . . . . 176 I HB . 16193 1 900 . 2 2 74 74 ILE HD11 H 1 -0.010 0.05 . 1 . . . . 176 I QD1 . 16193 1 901 . 2 2 74 74 ILE HD12 H 1 -0.010 0.05 . 1 . . . . 176 I QD1 . 16193 1 902 . 2 2 74 74 ILE HD13 H 1 -0.010 0.05 . 1 . . . . 176 I QD1 . 16193 1 903 . 2 2 74 74 ILE HG12 H 1 0.937 0.05 . 2 . . . . 176 I HG12 . 16193 1 904 . 2 2 74 74 ILE HG13 H 1 0.676 0.05 . 2 . . . . 176 I HG13 . 16193 1 905 . 2 2 74 74 ILE HG21 H 1 0.709 0.05 . 1 . . . . 176 I QG2 . 16193 1 906 . 2 2 74 74 ILE HG22 H 1 0.709 0.05 . 1 . . . . 176 I QG2 . 16193 1 907 . 2 2 74 74 ILE HG23 H 1 0.709 0.05 . 1 . . . . 176 I QG2 . 16193 1 908 . 2 2 74 74 ILE C C 13 175.447 0.2 . 1 . . . . 176 I CO . 16193 1 909 . 2 2 74 74 ILE CA C 13 62.851 0.2 . 1 . . . . 176 I CA . 16193 1 910 . 2 2 74 74 ILE CB C 13 40.608 0.2 . 1 . . . . 176 I CB . 16193 1 911 . 2 2 74 74 ILE CD1 C 13 12.316 0.2 . 1 . . . . 176 I CD1 . 16193 1 912 . 2 2 74 74 ILE CG1 C 13 27.918 0.2 . 1 . . . . 176 I CG1 . 16193 1 913 . 2 2 74 74 ILE CG2 C 13 17.103 0.2 . 1 . . . . 176 I CG2 . 16193 1 914 . 2 2 74 74 ILE N N 15 120.017 0.2 . 1 . . . . 176 I N . 16193 1 915 . 2 2 75 75 GLY H H 1 8.743 0.05 . 1 . . . . 177 G HN . 16193 1 916 . 2 2 75 75 GLY HA2 H 1 3.914 0.05 . 1 . . . . 177 G HA2 . 16193 1 917 . 2 2 75 75 GLY HA3 H 1 3.608 0.05 . 2 . . . . 177 G HA3 . 16193 1 918 . 2 2 75 75 GLY CA C 13 46.991 0.2 . 1 . . . . 177 G CA . 16193 1 919 . 2 2 75 75 GLY N N 15 115.088 0.2 . 1 . . . . 177 G N . 16193 1 920 . 2 2 76 76 HIS HA H 1 4.617 0.05 . 1 . . . . 178 H HA . 16193 1 921 . 2 2 76 76 HIS HB2 H 1 3.223 0.05 . 2 . . . . 178 H HB2 . 16193 1 922 . 2 2 76 76 HIS HB3 H 1 2.972 0.05 . 2 . . . . 178 H HB3 . 16193 1 923 . 2 2 76 76 HIS HD2 H 1 6.889 0.05 . 1 . . . . 178 H HD2 . 16193 1 924 . 2 2 76 76 HIS HE1 H 1 7.889 0.05 . 1 . . . . 178 H HE1 . 16193 1 925 . 2 2 76 76 HIS C C 13 174.841 0.2 . 1 . . . . 178 H CO . 16193 1 926 . 2 2 76 76 HIS CA C 13 56.339 0.2 . 1 . . . . 178 H CA . 16193 1 927 . 2 2 76 76 HIS CB C 13 30.269 0.2 . 1 . . . . 178 H CB . 16193 1 928 . 2 2 76 76 HIS CE1 C 13 136.067 0.2 . 1 . . . . 178 H CE1 . 16193 1 929 . 2 2 77 77 ARG H H 1 7.613 0.05 . 1 . . . . 179 R HN . 16193 1 930 . 2 2 77 77 ARG HA H 1 4.427 0.05 . 1 . . . . 179 R HA . 16193 1 931 . 2 2 77 77 ARG HB2 H 1 1.677 0.05 . 2 . . . . 179 R HB2 . 16193 1 932 . 2 2 77 77 ARG HB3 H 1 1.314 0.05 . 2 . . . . 179 R HB3 . 16193 1 933 . 2 2 77 77 ARG HD2 H 1 2.415 0.05 . 2 . . . . 179 R HD2 . 16193 1 934 . 2 2 77 77 ARG HD3 H 1 1.919 0.05 . 2 . . . . 179 R HD3 . 16193 1 935 . 2 2 77 77 ARG HE H 1 6.389 0.05 . 1 . . . . 179 R HE . 16193 1 936 . 2 2 77 77 ARG HG2 H 1 0.703 0.05 . 2 . . . . 179 R HG2 . 16193 1 937 . 2 2 77 77 ARG HG3 H 1 0.543 0.05 . 2 . . . . 179 R HG3 . 16193 1 938 . 2 2 77 77 ARG C C 13 176.413 0.2 . 1 . . . . 179 R CO . 16193 1 939 . 2 2 77 77 ARG CA C 13 52.547 0.2 . 1 . . . . 179 R CA . 16193 1 940 . 2 2 77 77 ARG CB C 13 31.373 0.2 . 1 . . . . 179 R CB . 16193 1 941 . 2 2 77 77 ARG CD C 13 40.998 0.2 . 1 . . . . 179 R CD . 16193 1 942 . 2 2 77 77 ARG CG C 13 24.237 0.2 . 1 . . . . 179 R CG . 16193 1 943 . 2 2 77 77 ARG N N 15 120.249 0.2 . 1 . . . . 179 R N . 16193 1 944 . 2 2 77 77 ARG NE N 15 81.956 0.2 . 1 . . . . 179 R NE . 16193 1 945 . 2 2 78 78 TYR H H 1 8.175 0.05 . 1 . . . . 180 Y HN . 16193 1 946 . 2 2 78 78 TYR HA H 1 4.612 0.05 . 1 . . . . 180 Y HA . 16193 1 947 . 2 2 78 78 TYR HB2 H 1 2.693 0.05 . 2 . . . . 180 Y HB2 . 16193 1 948 . 2 2 78 78 TYR HB3 H 1 2.567 0.05 . 2 . . . . 180 Y HB3 . 16193 1 949 . 2 2 78 78 TYR HD1 H 1 6.687 0.05 . 3 . . . . 180 Y QD . 16193 1 950 . 2 2 78 78 TYR HD2 H 1 6.687 0.05 . 3 . . . . 180 Y QD . 16193 1 951 . 2 2 78 78 TYR HE1 H 1 6.242 0.05 . 3 . . . . 180 Y QE . 16193 1 952 . 2 2 78 78 TYR HE2 H 1 6.242 0.05 . 3 . . . . 180 Y QE . 16193 1 953 . 2 2 78 78 TYR C C 13 174.967 0.2 . 1 . . . . 180 Y CO . 16193 1 954 . 2 2 78 78 TYR CB C 13 38.994 0.2 . 1 . . . . 180 Y CB . 16193 1 955 . 2 2 78 78 TYR CD1 C 13 130.441 0.2 . 3 . . . . 180 Y CD1 . 16193 1 956 . 2 2 78 78 TYR CE1 C 13 114.625 0.2 . 3 . . . . 180 Y CE1 . 16193 1 957 . 2 2 78 78 TYR N N 15 116.752 0.2 . 1 . . . . 180 Y N . 16193 1 958 . 2 2 79 79 ILE H H 1 9.476 0.05 . 1 . . . . 181 I HN . 16193 1 959 . 2 2 79 79 ILE HA H 1 4.408 0.05 . 1 . . . . 181 I HA . 16193 1 960 . 2 2 79 79 ILE HB H 1 2.069 0.05 . 1 . . . . 181 I HB . 16193 1 961 . 2 2 79 79 ILE HD11 H 1 0.185 0.05 . 1 . . . . 181 I QD1 . 16193 1 962 . 2 2 79 79 ILE HD12 H 1 0.185 0.05 . 1 . . . . 181 I QD1 . 16193 1 963 . 2 2 79 79 ILE HD13 H 1 0.185 0.05 . 1 . . . . 181 I QD1 . 16193 1 964 . 2 2 79 79 ILE HG12 H 1 1.431 0.05 . 2 . . . . 181 I HG12 . 16193 1 965 . 2 2 79 79 ILE HG13 H 1 0.152 0.05 . 2 . . . . 181 I HG13 . 16193 1 966 . 2 2 79 79 ILE HG21 H 1 0.413 0.05 . 1 . . . . 181 I QG2 . 16193 1 967 . 2 2 79 79 ILE HG22 H 1 0.413 0.05 . 1 . . . . 181 I QG2 . 16193 1 968 . 2 2 79 79 ILE HG23 H 1 0.413 0.05 . 1 . . . . 181 I QG2 . 16193 1 969 . 2 2 79 79 ILE C C 13 176.571 0.2 . 1 . . . . 181 I CO . 16193 1 970 . 2 2 79 79 ILE CA C 13 57.477 0.2 . 1 . . . . 181 I CA . 16193 1 971 . 2 2 79 79 ILE CB C 13 35.432 0.2 . 1 . . . . 181 I CB . 16193 1 972 . 2 2 79 79 ILE CD1 C 13 9.588 0.2 . 1 . . . . 181 I CD1 . 16193 1 973 . 2 2 79 79 ILE CG1 C 13 26.322 0.2 . 1 . . . . 181 I CG1 . 16193 1 974 . 2 2 79 79 ILE CG2 C 13 17.557 0.2 . 1 . . . . 181 I CG2 . 16193 1 975 . 2 2 79 79 ILE N N 15 127.033 0.2 . 1 . . . . 181 I N . 16193 1 976 . 2 2 80 80 GLU H H 1 8.706 0.05 . 1 . . . . 182 E HN . 16193 1 977 . 2 2 80 80 GLU HA H 1 4.728 0.05 . 1 . . . . 182 E HA . 16193 1 978 . 2 2 80 80 GLU HB2 H 1 1.988 0.05 . 2 . . . . 182 E QB . 16193 1 979 . 2 2 80 80 GLU HB3 H 1 1.988 0.05 . 2 . . . . 182 E QB . 16193 1 980 . 2 2 80 80 GLU HG2 H 1 2.297 0.05 . 2 . . . . 182 E HG2 . 16193 1 981 . 2 2 80 80 GLU HG3 H 1 2.182 0.05 . 2 . . . . 182 E HG3 . 16193 1 982 . 2 2 80 80 GLU C C 13 174.705 0.2 . 1 . . . . 182 E CO . 16193 1 983 . 2 2 80 80 GLU CB C 13 33.320 0.2 . 1 . . . . 182 E CB . 16193 1 984 . 2 2 80 80 GLU CG C 13 38.291 0.2 . 1 . . . . 182 E CG . 16193 1 985 . 2 2 80 80 GLU N N 15 127.473 0.2 . 1 . . . . 182 E N . 16193 1 986 . 2 2 81 81 VAL H H 1 10.640 0.05 . 1 . . . . 183 V HN . 16193 1 987 . 2 2 81 81 VAL HA H 1 4.658 0.05 . 1 . . . . 183 V HA . 16193 1 988 . 2 2 81 81 VAL HB H 1 1.945 0.05 . 1 . . . . 183 V HB . 16193 1 989 . 2 2 81 81 VAL HG11 H 1 1.053 0.05 . 1 . . . . 183 V QG1 . 16193 1 990 . 2 2 81 81 VAL HG12 H 1 1.053 0.05 . 1 . . . . 183 V QG1 . 16193 1 991 . 2 2 81 81 VAL HG13 H 1 1.053 0.05 . 1 . . . . 183 V QG1 . 16193 1 992 . 2 2 81 81 VAL HG21 H 1 0.938 0.05 . 1 . . . . 183 V QG2 . 16193 1 993 . 2 2 81 81 VAL HG22 H 1 0.938 0.05 . 1 . . . . 183 V QG2 . 16193 1 994 . 2 2 81 81 VAL HG23 H 1 0.938 0.05 . 1 . . . . 183 V QG2 . 16193 1 995 . 2 2 81 81 VAL C C 13 173.078 0.2 . 1 . . . . 183 V CO . 16193 1 996 . 2 2 81 81 VAL CB C 13 34.261 0.2 . 1 . . . . 183 V CB . 16193 1 997 . 2 2 81 81 VAL CG1 C 13 20.530 0.2 . 2 . . . . 183 V CG1 . 16193 1 998 . 2 2 81 81 VAL CG2 C 13 21.774 0.2 . 2 . . . . 183 V CG2 . 16193 1 999 . 2 2 81 81 VAL N N 15 126.223 0.2 . 1 . . . . 183 V N . 16193 1 1000 . 2 2 82 82 PHE H H 1 9.244 0.05 . 1 . . . . 184 F HN . 16193 1 1001 . 2 2 82 82 PHE HA H 1 5.015 0.05 . 1 . . . . 184 F HA . 16193 1 1002 . 2 2 82 82 PHE HB2 H 1 3.267 0.05 . 2 . . . . 184 F HB2 . 16193 1 1003 . 2 2 82 82 PHE HB3 H 1 2.616 0.05 . 2 . . . . 184 F HB3 . 16193 1 1004 . 2 2 82 82 PHE HD1 H 1 6.970 0.05 . 3 . . . . 184 F QD . 16193 1 1005 . 2 2 82 82 PHE HD2 H 1 6.970 0.05 . 3 . . . . 184 F QD . 16193 1 1006 . 2 2 82 82 PHE HE1 H 1 7.025 0.05 . 3 . . . . 184 F QE . 16193 1 1007 . 2 2 82 82 PHE HE2 H 1 7.025 0.05 . 3 . . . . 184 F QE . 16193 1 1008 . 2 2 82 82 PHE HZ H 1 7.242 0.05 . 1 . . . . 184 F HZ . 16193 1 1009 . 2 2 82 82 PHE C C 13 176.066 0.2 . 1 . . . . 184 F CO . 16193 1 1010 . 2 2 82 82 PHE CA C 13 54.354 0.2 . 1 . . . . 184 F CA . 16193 1 1011 . 2 2 82 82 PHE CB C 13 42.901 0.2 . 1 . . . . 184 F CB . 16193 1 1012 . 2 2 82 82 PHE CD1 C 13 129.491 0.2 . 3 . . . . 184 F CD1 . 16193 1 1013 . 2 2 82 82 PHE N N 15 122.044 0.2 . 1 . . . . 184 F N . 16193 1 1014 . 2 2 83 83 LYS H H 1 9.085 0.05 . 1 . . . . 185 K HN . 16193 1 1015 . 2 2 83 83 LYS HA H 1 4.220 0.05 . 1 . . . . 185 K HA . 16193 1 1016 . 2 2 83 83 LYS HB2 H 1 1.999 0.05 . 2 . . . . 185 K HB2 . 16193 1 1017 . 2 2 83 83 LYS HB3 H 1 1.873 0.05 . 2 . . . . 185 K HB3 . 16193 1 1018 . 2 2 83 83 LYS HD2 H 1 1.835 0.05 . 2 . . . . 185 K HD2 . 16193 1 1019 . 2 2 83 83 LYS HD3 H 1 1.748 0.05 . 2 . . . . 185 K HD3 . 16193 1 1020 . 2 2 83 83 LYS HE2 H 1 3.105 0.05 . 2 . . . . 185 K QE . 16193 1 1021 . 2 2 83 83 LYS HE3 H 1 3.105 0.05 . 2 . . . . 185 K QE . 16193 1 1022 . 2 2 83 83 LYS HG2 H 1 1.780 0.05 . 2 . . . . 185 K HG2 . 16193 1 1023 . 2 2 83 83 LYS HG3 H 1 1.704 0.05 . 2 . . . . 185 K HG3 . 16193 1 1024 . 2 2 83 83 LYS C C 13 176.195 0.2 . 1 . . . . 185 K CO . 16193 1 1025 . 2 2 83 83 LYS CA C 13 58.335 0.2 . 1 . . . . 185 K CA . 16193 1 1026 . 2 2 83 83 LYS CB C 13 32.400 0.2 . 1 . . . . 185 K CB . 16193 1 1027 . 2 2 83 83 LYS CD C 13 29.093 0.2 . 1 . . . . 185 K CD . 16193 1 1028 . 2 2 83 83 LYS CE C 13 42.236 0.2 . 1 . . . . 185 K CE . 16193 1 1029 . 2 2 83 83 LYS CG C 13 25.083 0.2 . 1 . . . . 185 K CG . 16193 1 1030 . 2 2 83 83 LYS N N 15 123.347 0.2 . 1 . . . . 185 K N . 16193 1 1031 . 2 2 84 84 SER H H 1 7.885 0.05 . 1 . . . . 186 S HN . 16193 1 1032 . 2 2 84 84 SER HA H 1 4.782 0.05 . 1 . . . . 186 S HA . 16193 1 1033 . 2 2 84 84 SER HB2 H 1 3.901 0.05 . 2 . . . . 186 S HB2 . 16193 1 1034 . 2 2 84 84 SER HB3 H 1 3.210 0.05 . 2 . . . . 186 S HB3 . 16193 1 1035 . 2 2 84 84 SER C C 13 173.443 0.2 . 1 . . . . 186 S CO . 16193 1 1036 . 2 2 84 84 SER CA C 13 55.139 0.2 . 1 . . . . 186 S CA . 16193 1 1037 . 2 2 84 84 SER CB C 13 65.130 0.2 . 1 . . . . 186 S CB . 16193 1 1038 . 2 2 84 84 SER N N 15 120.776 0.2 . 1 . . . . 186 S N . 16193 1 1039 . 2 2 85 85 SER H H 1 9.210 0.05 . 1 . . . . 187 S HN . 16193 1 1040 . 2 2 85 85 SER HA H 1 5.055 0.05 . 1 . . . . 187 S HA . 16193 1 1041 . 2 2 85 85 SER HB2 H 1 4.064 0.05 . 2 . . . . 187 S HB2 . 16193 1 1042 . 2 2 85 85 SER HB3 H 1 3.979 0.05 . 2 . . . . 187 S HB3 . 16193 1 1043 . 2 2 85 85 SER C C 13 173.376 0.2 . 1 . . . . 187 S CO . 16193 1 1044 . 2 2 85 85 SER CA C 13 57.221 0.2 . 1 . . . . 187 S CA . 16193 1 1045 . 2 2 85 85 SER CB C 13 65.803 0.2 . 1 . . . . 187 S CB . 16193 1 1046 . 2 2 85 85 SER N N 15 115.063 0.2 . 1 . . . . 187 S N . 16193 1 1047 . 2 2 86 86 GLN H H 1 9.268 0.05 . 1 . . . . 188 Q HN . 16193 1 1048 . 2 2 86 86 GLN HA H 1 2.757 0.05 . 1 . . . . 188 Q HA . 16193 1 1049 . 2 2 86 86 GLN HB2 H 1 1.911 0.05 . 2 . . . . 188 Q HB2 . 16193 1 1050 . 2 2 86 86 GLN HB3 H 1 1.841 0.05 . 2 . . . . 188 Q HB3 . 16193 1 1051 . 2 2 86 86 GLN HE21 H 1 7.371 0.05 . 2 . . . . 188 Q HE21 . 16193 1 1052 . 2 2 86 86 GLN HE22 H 1 6.868 0.05 . 2 . . . . 188 Q HE22 . 16193 1 1053 . 2 2 86 86 GLN HG2 H 1 2.159 0.05 . 2 . . . . 188 Q HG2 . 16193 1 1054 . 2 2 86 86 GLN HG3 H 1 2.066 0.05 . 2 . . . . 188 Q HG3 . 16193 1 1055 . 2 2 86 86 GLN C C 13 177.588 0.2 . 1 . . . . 188 Q CO . 16193 1 1056 . 2 2 86 86 GLN CA C 13 58.228 0.2 . 1 . . . . 188 Q CA . 16193 1 1057 . 2 2 86 86 GLN CB C 13 28.545 0.2 . 1 . . . . 188 Q CB . 16193 1 1058 . 2 2 86 86 GLN CG C 13 33.764 0.2 . 1 . . . . 188 Q CG . 16193 1 1059 . 2 2 86 86 GLN N N 15 121.944 0.2 . 1 . . . . 188 Q N . 16193 1 1060 . 2 2 86 86 GLN NE2 N 15 111.979 0.2 . 1 . . . . 188 Q NE2 . 16193 1 1061 . 2 2 87 87 GLU H H 1 8.274 0.05 . 1 . . . . 189 E HN . 16193 1 1062 . 2 2 87 87 GLU HA H 1 3.815 0.05 . 1 . . . . 189 E HA . 16193 1 1063 . 2 2 87 87 GLU HB2 H 1 1.848 0.05 . 2 . . . . 189 E QB . 16193 1 1064 . 2 2 87 87 GLU HB3 H 1 1.848 0.05 . 2 . . . . 189 E QB . 16193 1 1065 . 2 2 87 87 GLU HG2 H 1 2.151 0.05 . 2 . . . . 189 E QG . 16193 1 1066 . 2 2 87 87 GLU HG3 H 1 2.151 0.05 . 2 . . . . 189 E QG . 16193 1 1067 . 2 2 87 87 GLU C C 13 177.883 0.2 . 1 . . . . 189 E CO . 16193 1 1068 . 2 2 87 87 GLU CA C 13 58.762 0.2 . 1 . . . . 189 E CA . 16193 1 1069 . 2 2 87 87 GLU CB C 13 28.968 0.2 . 1 . . . . 189 E CB . 16193 1 1070 . 2 2 87 87 GLU CG C 13 37.712 0.2 . 1 . . . . 189 E CG . 16193 1 1071 . 2 2 87 87 GLU N N 15 116.831 0.2 . 1 . . . . 189 E N . 16193 1 1072 . 2 2 88 88 GLU H H 1 7.400 0.05 . 1 . . . . 190 E HN . 16193 1 1073 . 2 2 88 88 GLU HA H 1 3.841 0.05 . 1 . . . . 190 E HA . 16193 1 1074 . 2 2 88 88 GLU HB2 H 1 2.047 0.05 . 2 . . . . 190 E HB2 . 16193 1 1075 . 2 2 88 88 GLU HB3 H 1 1.948 0.05 . 2 . . . . 190 E HB3 . 16193 1 1076 . 2 2 88 88 GLU HG2 H 1 2.303 0.05 . 2 . . . . 190 E QG . 16193 1 1077 . 2 2 88 88 GLU HG3 H 1 2.303 0.05 . 2 . . . . 190 E QG . 16193 1 1078 . 2 2 88 88 GLU C C 13 177.084 0.2 . 1 . . . . 190 E CO . 16193 1 1079 . 2 2 88 88 GLU CA C 13 58.213 0.2 . 1 . . . . 190 E CA . 16193 1 1080 . 2 2 88 88 GLU CB C 13 29.771 0.2 . 1 . . . . 190 E CB . 16193 1 1081 . 2 2 88 88 GLU CG C 13 37.227 0.2 . 1 . . . . 190 E CG . 16193 1 1082 . 2 2 88 88 GLU N N 15 119.172 0.2 . 1 . . . . 190 E N . 16193 1 1083 . 2 2 89 89 VAL H H 1 6.776 0.05 . 1 . . . . 191 V HN . 16193 1 1084 . 2 2 89 89 VAL HA H 1 2.089 0.05 . 1 . . . . 191 V HA . 16193 1 1085 . 2 2 89 89 VAL HB H 1 1.413 0.05 . 1 . . . . 191 V HB . 16193 1 1086 . 2 2 89 89 VAL HG11 H 1 0.306 0.05 . 1 . . . . 191 V QG1 . 16193 1 1087 . 2 2 89 89 VAL HG12 H 1 0.306 0.05 . 1 . . . . 191 V QG1 . 16193 1 1088 . 2 2 89 89 VAL HG13 H 1 0.306 0.05 . 1 . . . . 191 V QG1 . 16193 1 1089 . 2 2 89 89 VAL HG21 H 1 0.466 0.05 . 1 . . . . 191 V QG2 . 16193 1 1090 . 2 2 89 89 VAL HG22 H 1 0.466 0.05 . 1 . . . . 191 V QG2 . 16193 1 1091 . 2 2 89 89 VAL HG23 H 1 0.466 0.05 . 1 . . . . 191 V QG2 . 16193 1 1092 . 2 2 89 89 VAL C C 13 176.867 0.2 . 1 . . . . 191 V CO . 16193 1 1093 . 2 2 89 89 VAL CA C 13 64.271 0.2 . 1 . . . . 191 V CA . 16193 1 1094 . 2 2 89 89 VAL CB C 13 31.028 0.2 . 1 . . . . 191 V CB . 16193 1 1095 . 2 2 89 89 VAL CG1 C 13 21.636 0.2 . 2 . . . . 191 V CG1 . 16193 1 1096 . 2 2 89 89 VAL CG2 C 13 20.712 0.2 . 2 . . . . 191 V CG2 . 16193 1 1097 . 2 2 89 89 VAL N N 15 117.536 0.2 . 1 . . . . 191 V N . 16193 1 1098 . 2 2 90 90 ARG H H 1 6.947 0.05 . 1 . . . . 192 R HN . 16193 1 1099 . 2 2 90 90 ARG HA H 1 4.160 0.05 . 1 . . . . 192 R HA . 16193 1 1100 . 2 2 90 90 ARG HB2 H 1 1.720 0.05 . 2 . . . . 192 R HB2 . 16193 1 1101 . 2 2 90 90 ARG HB3 H 1 1.581 0.05 . 2 . . . . 192 R HB3 . 16193 1 1102 . 2 2 90 90 ARG HD2 H 1 3.018 0.05 . 2 . . . . 192 R QD . 16193 1 1103 . 2 2 90 90 ARG HD3 H 1 3.018 0.05 . 2 . . . . 192 R QD . 16193 1 1104 . 2 2 90 90 ARG HE H 1 7.210 0.05 . 1 . . . . 192 R HE . 16193 1 1105 . 2 2 90 90 ARG HG2 H 1 1.526 0.05 . 2 . . . . 192 R HG2 . 16193 1 1106 . 2 2 90 90 ARG HG3 H 1 1.491 0.05 . 2 . . . . 192 R HG3 . 16193 1 1107 . 2 2 90 90 ARG C C 13 175.954 0.2 . 1 . . . . 192 R CO . 16193 1 1108 . 2 2 90 90 ARG CA C 13 56.196 0.2 . 1 . . . . 192 R CA . 16193 1 1109 . 2 2 90 90 ARG CB C 13 30.868 0.2 . 1 . . . . 192 R CB . 16193 1 1110 . 2 2 90 90 ARG CD C 13 43.257 0.2 . 1 . . . . 192 R CD . 16193 1 1111 . 2 2 90 90 ARG CG C 13 26.920 0.2 . 1 . . . . 192 R CG . 16193 1 1112 . 2 2 90 90 ARG N N 15 119.551 0.2 . 1 . . . . 192 R N . 16193 1 1113 . 2 2 90 90 ARG NE N 15 84.681 0.2 . 1 . . . . 192 R NE . 16193 1 1114 . 2 2 91 91 SER H H 1 7.741 0.05 . 1 . . . . 193 S HN . 16193 1 1115 . 2 2 91 91 SER HA H 1 4.332 0.05 . 1 . . . . 193 S HA . 16193 1 1116 . 2 2 91 91 SER HB2 H 1 3.806 0.05 . 2 . . . . 193 S HB2 . 16193 1 1117 . 2 2 91 91 SER HB3 H 1 3.757 0.05 . 2 . . . . 193 S HB3 . 16193 1 1118 . 2 2 91 91 SER C C 13 172.865 0.2 . 1 . . . . 193 S CO . 16193 1 1119 . 2 2 91 91 SER CA C 13 58.416 0.2 . 1 . . . . 193 S CA . 16193 1 1120 . 2 2 91 91 SER CB C 13 63.963 0.2 . 1 . . . . 193 S CB . 16193 1 1121 . 2 2 91 91 SER N N 15 113.815 0.2 . 1 . . . . 193 S N . 16193 1 1122 . 2 2 92 92 TYR H H 1 7.287 0.05 . 1 . . . . 194 Y HN . 16193 1 1123 . 2 2 92 92 TYR HA H 1 4.267 0.05 . 1 . . . . 194 Y HA . 16193 1 1124 . 2 2 92 92 TYR HB2 H 1 2.965 0.05 . 2 . . . . 194 Y HB2 . 16193 1 1125 . 2 2 92 92 TYR HB3 H 1 2.922 0.05 . 2 . . . . 194 Y HB3 . 16193 1 1126 . 2 2 92 92 TYR HD1 H 1 7.106 0.05 . 3 . . . . 194 Y QD . 16193 1 1127 . 2 2 92 92 TYR HD2 H 1 7.106 0.05 . 3 . . . . 194 Y QD . 16193 1 1128 . 2 2 92 92 TYR HE1 H 1 6.748 0.05 . 3 . . . . 194 Y QE . 16193 1 1129 . 2 2 92 92 TYR HE2 H 1 6.748 0.05 . 3 . . . . 194 Y QE . 16193 1 1130 . 2 2 92 92 TYR CA C 13 60.051 0.2 . 1 . . . . 194 Y CA . 16193 1 1131 . 2 2 92 92 TYR CB C 13 39.429 0.2 . 1 . . . . 194 Y CB . 16193 1 1132 . 2 2 92 92 TYR CD1 C 13 130.790 0.2 . 3 . . . . 194 Y CD1 . 16193 1 1133 . 2 2 92 92 TYR CE1 C 13 115.228 0.2 . 3 . . . . 194 Y CE1 . 16193 1 1134 . 2 2 92 92 TYR N N 15 127.400 0.2 . 1 . . . . 194 Y N . 16193 1 stop_ save_