data_6920 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6920 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for Mid1 BBox 1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-12-08 _Entry.Accession_date 2005-12-09 _Entry.Last_release_date 2006-04-27 _Entry.Original_release_date 2006-04-27 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Michael Massiah . A. . 6920 2 Brandi Simmons . N. . 6920 3 Keiran Short . M. . 6920 4 Tim Cox . C. . 6920 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . OSU . 6920 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6920 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 174 6920 '15N chemical shifts' 73 6920 '1H chemical shifts' 421 6920 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2006-04-27 2005-12-08 original author . 6920 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6920 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16529770 _Citation.Full_citation . _Citation.Title ; Solution Structure of the RBCC/TRIM B-box1 Domain of Human MID1: B-box with a RING ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 358 _Citation.Journal_issue 2 _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 532 _Citation.Page_last 545 _Citation.Year 2006 _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 Michael Massiah . A. . 6920 1 2 Brandi Simmons . N. . 6920 1 3 Keiran Short . M. . 6920 1 4 Tim Cox . C. . 6920 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID B-box 6920 1 Midline-1 6920 1 'Ring Finger' 6920 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6920 _Assembly.ID 1 _Assembly.Name 'Midline-1 B-box Type 1' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 2 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all other bound' _Assembly.Molecular_mass 9030 _Assembly.Enzyme_commission_number . _Assembly.Details 'B-box 1 zinc-binding domain of Midline-1.' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 6920 1 stop_ 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 'Midline-1 B-box Type 1' 1 $Mid-1_B-box_1 . . yes native no no 1 protein-binding . 6920 1 2 'ZINC (II) ION, 1' 2 $ZN . . no native no no 2 protein-binding . 6920 1 3 'ZINC (II) ION, 2' 2 $ZN . . no native no no 2 protein-binding . 6920 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 2 . 2 ZN 1 1 ZN . 1 . 1 CYS 33 33 SG . . . . . . . . . . 6920 1 2 coordination single . 2 . 2 ZN 1 1 ZN . 1 . 1 CYS 36 36 SG . . . . . . . . . . 6920 1 3 coordination single . 2 . 2 ZN 1 1 ZN . 1 . 1 CYS 56 56 SG . . . . . . . . . . 6920 1 4 coordination single . 2 . 2 ZN 1 1 ZN . 1 . 1 CYS 59 59 SG . . . . . . . . . . 6920 1 5 coordination single . 3 . 2 ZN 1 1 ZN . 1 . 1 CYS 48 48 SG . . . . . . . . . . 6920 1 6 coordination single . 3 . 2 ZN 1 1 ZN . 1 . 1 CYS 51 51 SG . . . . . . . . . . 6920 1 7 coordination single . 3 . 2 ZN 1 1 ZN . 1 . 1 HIS 64 64 NE2 . . . . . . . . . . 6920 1 8 coordination single . 3 . 2 ZN 1 1 ZN . 1 . 1 HIS 73 73 HD1 . . . . . . . . . . 6920 1 stop_ loop_ _Assembly_interaction.ID _Assembly_interaction.Entity_assembly_ID_1 _Assembly_interaction.Entity_assembly_ID_2 _Assembly_interaction.Mol_interaction_type _Assembly_interaction.Entry_ID _Assembly_interaction.Assembly_ID 1 1 . 'No interaction' 6920 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'binding alpha-4' 6920 1 'ubiqutin E3 ligase' 6920 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Mid-1_B-box_1 _Entity.Sf_category entity _Entity.Sf_framecode Mid-1_B-box_1 _Entity.Entry_ID 6920 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'B-box 1 type 1' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; QKASVSGPNSPSETRRERAF DANTMTSAEKVLCQFCDQDP AQDAVKTCVTCEVSYCDECL KATHPNKKPFTGHRLIEP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Sequence corresponds to Gln87 to Pro164 in Midline1' _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 78 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all other bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8620 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'all cysteines are bound to zinc atoms' _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'binds alpha-4' 6920 1 'ubiquitin E3 ligase' 6920 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'B-box type 1' . 6920 1 Midline-1 . 6920 1 stop_ loop_ _Entity_keyword.Keyword _Entity_keyword.Entry_ID _Entity_keyword.Entity_ID 'B-box 1' 6920 1 Midline-1 6920 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 87 GLN . 6920 1 2 88 LYS . 6920 1 3 89 ALA . 6920 1 4 90 SER . 6920 1 5 91 VAL . 6920 1 6 92 SER . 6920 1 7 93 GLY . 6920 1 8 94 PRO . 6920 1 9 95 ASN . 6920 1 10 96 SER . 6920 1 11 97 PRO . 6920 1 12 98 SER . 6920 1 13 99 GLU . 6920 1 14 100 THR . 6920 1 15 101 ARG . 6920 1 16 102 ARG . 6920 1 17 103 GLU . 6920 1 18 104 ARG . 6920 1 19 105 ALA . 6920 1 20 106 PHE . 6920 1 21 107 ASP . 6920 1 22 108 ALA . 6920 1 23 109 ASN . 6920 1 24 110 THR . 6920 1 25 111 MET . 6920 1 26 112 THR . 6920 1 27 113 SER . 6920 1 28 114 ALA . 6920 1 29 115 GLU . 6920 1 30 116 LYS . 6920 1 31 117 VAL . 6920 1 32 118 LEU . 6920 1 33 119 CYS . 6920 1 34 120 GLN . 6920 1 35 121 PHE . 6920 1 36 122 CYS . 6920 1 37 123 ASP . 6920 1 38 124 GLN . 6920 1 39 125 ASP . 6920 1 40 126 PRO . 6920 1 41 127 ALA . 6920 1 42 128 GLN . 6920 1 43 129 ASP . 6920 1 44 130 ALA . 6920 1 45 131 VAL . 6920 1 46 132 LYS . 6920 1 47 133 THR . 6920 1 48 134 CYS . 6920 1 49 135 VAL . 6920 1 50 136 THR . 6920 1 51 137 CYS . 6920 1 52 138 GLU . 6920 1 53 139 VAL . 6920 1 54 140 SER . 6920 1 55 141 TYR . 6920 1 56 142 CYS . 6920 1 57 143 ASP . 6920 1 58 144 GLU . 6920 1 59 145 CYS . 6920 1 60 146 LEU . 6920 1 61 147 LYS . 6920 1 62 148 ALA . 6920 1 63 149 THR . 6920 1 64 150 HIS . 6920 1 65 151 PRO . 6920 1 66 152 ASN . 6920 1 67 153 LYS . 6920 1 68 154 LYS . 6920 1 69 155 PRO . 6920 1 70 156 PHE . 6920 1 71 157 THR . 6920 1 72 158 GLY . 6920 1 73 159 HIS . 6920 1 74 160 ARG . 6920 1 75 161 LEU . 6920 1 76 162 ILE . 6920 1 77 163 GLU . 6920 1 78 164 PRO . 6920 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 . GLN 1 1 6920 1 . LYS 2 2 6920 1 . ALA 3 3 6920 1 . SER 4 4 6920 1 . VAL 5 5 6920 1 . SER 6 6 6920 1 . GLY 7 7 6920 1 . PRO 8 8 6920 1 . ASN 9 9 6920 1 . SER 10 10 6920 1 . PRO 11 11 6920 1 . SER 12 12 6920 1 . GLU 13 13 6920 1 . THR 14 14 6920 1 . ARG 15 15 6920 1 . ARG 16 16 6920 1 . GLU 17 17 6920 1 . ARG 18 18 6920 1 . ALA 19 19 6920 1 . PHE 20 20 6920 1 . ASP 21 21 6920 1 . ALA 22 22 6920 1 . ASN 23 23 6920 1 . THR 24 24 6920 1 . MET 25 25 6920 1 . THR 26 26 6920 1 . SER 27 27 6920 1 . ALA 28 28 6920 1 . GLU 29 29 6920 1 . LYS 30 30 6920 1 . VAL 31 31 6920 1 . LEU 32 32 6920 1 . CYS 33 33 6920 1 . GLN 34 34 6920 1 . PHE 35 35 6920 1 . CYS 36 36 6920 1 . ASP 37 37 6920 1 . GLN 38 38 6920 1 . ASP 39 39 6920 1 . PRO 40 40 6920 1 . ALA 41 41 6920 1 . GLN 42 42 6920 1 . ASP 43 43 6920 1 . ALA 44 44 6920 1 . VAL 45 45 6920 1 . LYS 46 46 6920 1 . THR 47 47 6920 1 . CYS 48 48 6920 1 . VAL 49 49 6920 1 . THR 50 50 6920 1 . CYS 51 51 6920 1 . GLU 52 52 6920 1 . VAL 53 53 6920 1 . SER 54 54 6920 1 . TYR 55 55 6920 1 . CYS 56 56 6920 1 . ASP 57 57 6920 1 . GLU 58 58 6920 1 . CYS 59 59 6920 1 . LEU 60 60 6920 1 . LYS 61 61 6920 1 . ALA 62 62 6920 1 . THR 63 63 6920 1 . HIS 64 64 6920 1 . PRO 65 65 6920 1 . ASN 66 66 6920 1 . LYS 67 67 6920 1 . LYS 68 68 6920 1 . PRO 69 69 6920 1 . PHE 70 70 6920 1 . THR 71 71 6920 1 . GLY 72 72 6920 1 . HIS 73 73 6920 1 . ARG 74 74 6920 1 . LEU 75 75 6920 1 . ILE 76 76 6920 1 . GLU 77 77 6920 1 . PRO 78 78 6920 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 6920 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _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 . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _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 . ZN . 6920 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 6920 _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 $Mid-1_B-box_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6920 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 6920 _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 $Mid-1_B-box_1 . 'recombinant technology' . 'E. coli' BL21(DE3) . . . . . . . . . . . . . . . . 'GST fusion' . . 'pGEX 4T-2' 'N-terminal GST tag; thrombin cleavage site' . . . . . 6920 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 6920 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2008-12-05 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 2 09:48:05 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1/Zn/q+2 InChI InChI 1.02b 6920 ZN PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey InChI 1.02b 6920 ZN [Zn++] SMILES CACTVS 3.341 6920 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 6920 ZN [Zn+2] SMILES ACDLabs 10.04 6920 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 6920 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 6920 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 6920 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 6920 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN . ZN . . ZN . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 6920 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6920 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'B-box 1 type 1' '[U-13C; U-15N]' . . 1 $Mid-1_B-box_1 . protein 0.75 0.5 1 mM 0.1 . . . 6920 1 2 'ZINC (II) ION' . . . 2 $ZN . ligand . . . mM . . . . 6920 1 3 Tris . . . . . . . 50 . . mM . . . . 6920 1 4 NaCl . . . . . . . 300 . . mM . . . . 6920 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6920 _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 pH 7.5 0.1 pH 6920 1 temperature 294 1 K 6920 1 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 6920 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6920 _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 1H15N_HSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6920 1 2 HNCA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6920 1 3 HNCACB no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6920 1 4 CBCACONH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6920 1 5 HMQC-NOE-HSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6920 1 6 15N-HSQC-NOESY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6920 1 7 13C-HSQC-NOESY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6920 1 8 HCCH-TOCSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6920 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6920 _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 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 6920 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6920 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6920 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6920 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.1 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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 1H15N_HSQC 1 $sample_1 isotropic 6920 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 GLN H H 1 8.52 0.05 . 1 . . . . 87 GLN H . 6920 1 2 . 1 1 1 1 GLN HA H 1 4.39 0.05 . 1 . . . . 87 GLN HA . 6920 1 3 . 1 1 1 1 GLN HB2 H 1 2.12 0.05 . 2 . . . . 87 GLN HB2 . 6920 1 4 . 1 1 1 1 GLN HB3 H 1 2.03 0.05 . 2 . . . . 87 GLN HB3 . 6920 1 5 . 1 1 1 1 GLN HG2 H 1 2.41 0.05 . 1 . . . . 87 GLN HG . 6920 1 6 . 1 1 1 1 GLN HG3 H 1 2.41 0.05 . 1 . . . . 87 GLN HG . 6920 1 7 . 1 1 1 1 GLN CA C 13 55.87 0.15 . 1 . . . . 87 GLN CA . 6920 1 8 . 1 1 1 1 GLN CB C 13 29.69 0.15 . 1 . . . . 87 GLN CB . 6920 1 9 . 1 1 1 1 GLN N N 15 125 0.15 . 1 . . . . 87 GLN N . 6920 1 10 . 1 1 2 2 LYS H H 1 8.1 0.05 . 1 . . . . 88 LYS H . 6920 1 11 . 1 1 2 2 LYS HA H 1 4.4 0.05 . 1 . . . . 88 LYS HA . 6920 1 12 . 1 1 2 2 LYS HB2 H 1 2.41 0.05 . 1 . . . . 88 LYS HB2 . 6920 1 13 . 1 1 2 2 LYS HG2 H 1 2.12 0.05 . 2 . . . . 88 LYS HG2 . 6920 1 14 . 1 1 2 2 LYS HG3 H 1 2.03 0.05 . 2 . . . . 88 LYS HG3 . 6920 1 15 . 1 1 2 2 LYS CA C 13 59.91 0.15 . 1 . . . . 88 LYS CA . 6920 1 16 . 1 1 2 2 LYS CB C 13 33.88 0.15 . 1 . . . . 88 LYS CB . 6920 1 17 . 1 1 2 2 LYS N N 15 129.3 0.15 . 1 . . . . 88 LYS N . 6920 1 18 . 1 1 3 3 ALA H H 1 8.08 0.05 . 1 . . . . 89 ALA H . 6920 1 19 . 1 1 3 3 ALA HA H 1 4.28 0.05 . 1 . . . . 89 ALA HA . 6920 1 20 . 1 1 3 3 ALA HB1 H 1 1.42 0.05 . 1 . . . . 89 ALA HB . 6920 1 21 . 1 1 3 3 ALA HB2 H 1 1.42 0.05 . 1 . . . . 89 ALA HB . 6920 1 22 . 1 1 3 3 ALA HB3 H 1 1.42 0.05 . 1 . . . . 89 ALA HB . 6920 1 23 . 1 1 3 3 ALA CA C 13 52.7 0.15 . 1 . . . . 89 ALA CA . 6920 1 24 . 1 1 3 3 ALA CB C 13 19.4 0.15 . 1 . . . . 89 ALA CB . 6920 1 25 . 1 1 3 3 ALA N N 15 131.6 0.15 . 1 . . . . 89 ALA N . 6920 1 26 . 1 1 4 4 SER H H 1 8.36 0.05 . 1 . . . . 90 SER H . 6920 1 27 . 1 1 4 4 SER CA C 13 58.29 0.15 . 1 . . . . 90 SER CA . 6920 1 28 . 1 1 4 4 SER CB C 13 63.89 0.15 . 1 . . . . 90 SER CB . 6920 1 29 . 1 1 4 4 SER N N 15 115.5 0.15 . 1 . . . . 90 SER N . 6920 1 30 . 1 1 5 5 VAL H H 1 8.21 0.05 . 1 . . . . 91 VAL H . 6920 1 31 . 1 1 5 5 VAL HA H 1 4.3 0.05 . 1 . . . . 91 VAL HA . 6920 1 32 . 1 1 5 5 VAL HB H 1 2.21 0.05 . 1 . . . . 91 VAL HB . 6920 1 33 . 1 1 5 5 VAL HG11 H 1 0.98 0.05 . 2 . . . . 91 VAL HG . 6920 1 34 . 1 1 5 5 VAL HG12 H 1 0.98 0.05 . 2 . . . . 91 VAL HG . 6920 1 35 . 1 1 5 5 VAL HG13 H 1 0.98 0.05 . 2 . . . . 91 VAL HG . 6920 1 36 . 1 1 5 5 VAL HG21 H 1 0.98 0.05 . 2 . . . . 91 VAL HG . 6920 1 37 . 1 1 5 5 VAL HG22 H 1 0.98 0.05 . 2 . . . . 91 VAL HG . 6920 1 38 . 1 1 5 5 VAL HG23 H 1 0.98 0.05 . 2 . . . . 91 VAL HG . 6920 1 39 . 1 1 5 5 VAL CA C 13 62.3 0.15 . 1 . . . . 91 VAL CA . 6920 1 40 . 1 1 5 5 VAL CB C 13 32.65 0.15 . 1 . . . . 91 VAL CB . 6920 1 41 . 1 1 5 5 VAL N N 15 121.1 0.15 . 1 . . . . 91 VAL N . 6920 1 42 . 1 1 6 6 SER H H 1 8.37 0.05 . 1 . . . . 92 SER H . 6920 1 43 . 1 1 6 6 SER CA C 13 58.32 0.15 . 1 . . . . 92 SER CA . 6920 1 44 . 1 1 6 6 SER CB C 13 64.11 0.15 . 1 . . . . 92 SER CB . 6920 1 45 . 1 1 6 6 SER N N 15 119 0.15 . 1 . . . . 92 SER N . 6920 1 46 . 1 1 7 7 GLY H H 1 8.29 0.05 . 1 . . . . 93 GLY H . 6920 1 47 . 1 1 7 7 GLY HA2 H 1 4.12 0.05 . 1 . . . . 93 GLY HA . 6920 1 48 . 1 1 7 7 GLY HA3 H 1 4.12 0.05 . 1 . . . . 93 GLY HA . 6920 1 49 . 1 1 7 7 GLY CA C 13 45.23 0.15 . 1 . . . . 93 GLY CA . 6920 1 50 . 1 1 7 7 GLY N N 15 111.1 0.15 . 1 . . . . 93 GLY N . 6920 1 51 . 1 1 8 8 PRO HA H 1 4.46 0.05 . 1 . . . . 94 PRO HA . 6920 1 52 . 1 1 8 8 PRO HB2 H 1 0.98 0.05 . 2 . . . . 94 PRO HB2 . 6920 1 53 . 1 1 8 8 PRO HB3 H 1 1.98 0.05 . 2 . . . . 94 PRO HB3 . 6920 1 54 . 1 1 8 8 PRO HG2 H 1 3.64 0.05 . 1 . . . . 94 PRO HG . 6920 1 55 . 1 1 8 8 PRO HG3 H 1 3.64 0.05 . 1 . . . . 94 PRO HG . 6920 1 56 . 1 1 8 8 PRO CA C 13 63.6 0.15 . 1 . . . . 94 PRO CA . 6920 1 57 . 1 1 8 8 PRO CB C 13 32.18 0.15 . 1 . . . . 94 PRO CB . 6920 1 58 . 1 1 9 9 ASN H H 1 8.59 0.05 . 1 . . . . 95 ASN H . 6920 1 59 . 1 1 9 9 ASN HA H 1 4.77 0.05 . 1 . . . . 95 ASN HA . 6920 1 60 . 1 1 9 9 ASN HB2 H 1 2.88 0.05 . 2 . . . . 95 ASN HB2 . 6920 1 61 . 1 1 9 9 ASN HB3 H 1 2.77 0.05 . 2 . . . . 95 ASN HB3 . 6920 1 62 . 1 1 9 9 ASN HD21 H 1 7.64 0.05 . 2 . . . . 95 ASN HD21 . 6920 1 63 . 1 1 9 9 ASN HD22 H 1 6.97 0.05 . 2 . . . . 95 ASN HD22 . 6920 1 64 . 1 1 9 9 ASN CA C 13 53.3 0.15 . 1 . . . . 95 ASN CA . 6920 1 65 . 1 1 9 9 ASN CB C 13 39.2 0.15 . 1 . . . . 95 ASN CB . 6920 1 66 . 1 1 9 9 ASN N N 15 118.4 0.15 . 1 . . . . 95 ASN N . 6920 1 67 . 1 1 9 9 ASN ND2 N 15 113.4 0.05 . 1 . . . . 95 ASN ND2 . 6920 1 68 . 1 1 10 10 SER H H 1 8.2 0.05 . 1 . . . . 96 SER H . 6920 1 69 . 1 1 10 10 SER HA H 1 4.88 0.05 . 1 . . . . 96 SER HA . 6920 1 70 . 1 1 10 10 SER HB2 H 1 3.92 0.05 . 1 . . . . 96 SER HB2 . 6920 1 71 . 1 1 10 10 SER HB3 H 1 3.92 0.05 . 1 . . . . 96 SER HB3 . 6920 1 72 . 1 1 10 10 SER CA C 13 56.74 0.15 . 1 . . . . 96 SER CA . 6920 1 73 . 1 1 10 10 SER CB C 13 63.39 0.15 . 1 . . . . 96 SER CB . 6920 1 74 . 1 1 10 10 SER N N 15 117.3 0.15 . 1 . . . . 96 SER N . 6920 1 75 . 1 1 12 12 SER HA H 1 4.41 0.05 . 1 . . . . 98 SER HA . 6920 1 76 . 1 1 12 12 SER HB2 H 1 3.91 0.05 . 2 . . . . 98 SER HB2 . 6920 1 77 . 1 1 12 12 SER CA C 13 58.89 0.15 . 1 . . . . 98 SER CA . 6920 1 78 . 1 1 12 12 SER CB C 13 63.77 0.15 . 1 . . . . 98 SER CB . 6920 1 79 . 1 1 13 13 GLU H H 1 8.42 0.05 . 1 . . . . 99 GLU H . 6920 1 80 . 1 1 13 13 GLU HA H 1 4.5 0.05 . 1 . . . . 99 GLU HA . 6920 1 81 . 1 1 13 13 GLU HB2 H 1 2.08 0.05 . 2 . . . . 99 GLU HB2 . 6920 1 82 . 1 1 13 13 GLU CA C 13 56.94 0.15 . 1 . . . . 99 GLU CA . 6920 1 83 . 1 1 13 13 GLU CB C 13 30.75 0.15 . 1 . . . . 99 GLU CB . 6920 1 84 . 1 1 13 13 GLU N N 15 122.7 0.15 . 1 . . . . 99 GLU N . 6920 1 85 . 1 1 14 14 THR H H 1 8.2 0.05 . 1 . . . . 100 THR H . 6920 1 86 . 1 1 14 14 THR HA H 1 4.34 0.05 . 1 . . . . 100 THR HA . 6920 1 87 . 1 1 14 14 THR HB H 1 4.24 0.05 . 1 . . . . 100 THR HB . 6920 1 88 . 1 1 14 14 THR HG21 H 1 1.25 0.05 . 1 . . . . 100 THR HG . 6920 1 89 . 1 1 14 14 THR HG22 H 1 1.25 0.05 . 1 . . . . 100 THR HG . 6920 1 90 . 1 1 14 14 THR HG23 H 1 1.25 0.05 . 1 . . . . 100 THR HG . 6920 1 91 . 1 1 14 14 THR CA C 13 62.44 0.15 . 1 . . . . 100 THR CA . 6920 1 92 . 1 1 14 14 THR CB C 13 69.78 0.15 . 1 . . . . 100 THR CB . 6920 1 93 . 1 1 14 14 THR N N 15 115.3 0.15 . 1 . . . . 100 THR N . 6920 1 94 . 1 1 15 15 ARG H H 1 8.35 0.05 . 1 . . . . 101 ARG H . 6920 1 95 . 1 1 15 15 ARG HA H 1 4.32 0.05 . 1 . . . . 101 ARG HA . 6920 1 96 . 1 1 15 15 ARG HB2 H 1 1.81 0.05 . 2 . . . . 101 ARG HB2 . 6920 1 97 . 1 1 15 15 ARG HB3 H 1 1.63 0.05 . 2 . . . . 101 ARG HB3 . 6920 1 98 . 1 1 15 15 ARG HG2 H 1 1.42 0.05 . 1 . . . . 101 ARG HG . 6920 1 99 . 1 1 15 15 ARG HG3 H 1 1.42 0.05 . 1 . . . . 101 ARG HG . 6920 1 100 . 1 1 15 15 ARG HD2 H 1 3.2 0.05 . 1 . . . . 101 ARG HD . 6920 1 101 . 1 1 15 15 ARG HD3 H 1 3.2 0.05 . 1 . . . . 101 ARG HD . 6920 1 102 . 1 1 15 15 ARG CA C 13 56.39 0.15 . 1 . . . . 101 ARG CA . 6920 1 103 . 1 1 15 15 ARG CB C 13 30.89 0.15 . 1 . . . . 101 ARG CB . 6920 1 104 . 1 1 15 15 ARG N N 15 123.9 0.15 . 1 . . . . 101 ARG N . 6920 1 105 . 1 1 16 16 ARG H H 1 8.39 0.05 . 1 . . . . 102 ARG H . 6920 1 106 . 1 1 16 16 ARG CA C 13 56.39 0.15 . 1 . . . . 102 ARG CA . 6920 1 107 . 1 1 16 16 ARG CB C 13 30.89 0.15 . 1 . . . . 102 ARG CB . 6920 1 108 . 1 1 16 16 ARG N N 15 122.9 0.15 . 1 . . . . 102 ARG N . 6920 1 109 . 1 1 17 17 GLU CA C 13 56.96 0.15 . 1 . . . . 103 GLU CA . 6920 1 110 . 1 1 17 17 GLU CB C 13 30.67 0.15 . 1 . . . . 103 GLU CB . 6920 1 111 . 1 1 18 18 ARG H H 1 8.42 0.05 . 1 . . . . 104 ARG H . 6920 1 112 . 1 1 18 18 ARG HA H 1 4.37 0.05 . 1 . . . . 104 ARG HA . 6920 1 113 . 1 1 18 18 ARG HB2 H 1 2.08 0.05 . 2 . . . . 104 ARG HB2 . 6920 1 114 . 1 1 18 18 ARG CA C 13 56.23 0.15 . 1 . . . . 104 ARG CA . 6920 1 115 . 1 1 18 18 ARG CB C 13 31.02 0.15 . 1 . . . . 104 ARG CB . 6920 1 116 . 1 1 18 18 ARG N N 15 123.1 0.15 . 1 . . . . 104 ARG N . 6920 1 117 . 1 1 19 19 ALA H H 1 8.31 0.05 . 1 . . . . 105 ALA H . 6920 1 118 . 1 1 19 19 ALA HA H 1 4.34 0.05 . 1 . . . . 105 ALA HA . 6920 1 119 . 1 1 19 19 ALA HB1 H 1 1.38 0.05 . 1 . . . . 105 ALA HB . 6920 1 120 . 1 1 19 19 ALA HB2 H 1 1.38 0.05 . 1 . . . . 105 ALA HB . 6920 1 121 . 1 1 19 19 ALA HB3 H 1 1.38 0.05 . 1 . . . . 105 ALA HB . 6920 1 122 . 1 1 19 19 ALA CA C 13 52.68 0.15 . 1 . . . . 105 ALA CA . 6920 1 123 . 1 1 19 19 ALA CB C 13 19.53 0.15 . 1 . . . . 105 ALA CB . 6920 1 124 . 1 1 19 19 ALA N N 15 125.2 0.15 . 1 . . . . 105 ALA N . 6920 1 125 . 1 1 20 20 PHE H H 1 8.2 0.05 . 1 . . . . 106 PHE H . 6920 1 126 . 1 1 20 20 PHE HA H 1 4.6 0.05 . 1 . . . . 106 PHE HA . 6920 1 127 . 1 1 20 20 PHE HB2 H 1 3.15 0.05 . 2 . . . . 106 PHE HB2 . 6920 1 128 . 1 1 20 20 PHE HB3 H 1 3.1 0.05 . 2 . . . . 106 PHE HB3 . 6920 1 129 . 1 1 20 20 PHE HD1 H 1 7.24 0.05 . 1 . . . . 106 PHE HD . 6920 1 130 . 1 1 20 20 PHE HD2 H 1 7.24 0.05 . 1 . . . . 106 PHE HD . 6920 1 131 . 1 1 20 20 PHE CA C 13 57.94 0.15 . 1 . . . . 106 PHE CA . 6920 1 132 . 1 1 20 20 PHE CB C 13 40 0.15 . 1 . . . . 106 PHE CB . 6920 1 133 . 1 1 20 20 PHE N N 15 119.3 0.15 . 1 . . . . 106 PHE N . 6920 1 134 . 1 1 21 21 ASP H H 1 8.17 0.05 . 1 . . . . 107 ASP H . 6920 1 135 . 1 1 21 21 ASP HA H 1 4.57 0.05 . 1 . . . . 107 ASP HA . 6920 1 136 . 1 1 21 21 ASP HB2 H 1 2.68 0.05 . 2 . . . . 107 ASP HB2 . 6920 1 137 . 1 1 21 21 ASP HB3 H 1 2.58 0.05 . 2 . . . . 107 ASP HB3 . 6920 1 138 . 1 1 21 21 ASP CA C 13 53.88 0.15 . 1 . . . . 107 ASP CA . 6920 1 139 . 1 1 21 21 ASP CB C 13 41.72 0.15 . 1 . . . . 107 ASP CB . 6920 1 140 . 1 1 21 21 ASP N N 15 122.5 0.15 . 1 . . . . 107 ASP N . 6920 1 141 . 1 1 22 22 ALA H H 1 8.3 0.05 . 1 . . . . 108 ALA H . 6920 1 142 . 1 1 22 22 ALA HA H 1 4.26 0.05 . 1 . . . . 108 ALA HA . 6920 1 143 . 1 1 22 22 ALA HB1 H 1 1.46 0.05 . 1 . . . . 108 ALA HB . 6920 1 144 . 1 1 22 22 ALA HB2 H 1 1.46 0.05 . 1 . . . . 108 ALA HB . 6920 1 145 . 1 1 22 22 ALA HB3 H 1 1.46 0.05 . 1 . . . . 108 ALA HB . 6920 1 146 . 1 1 22 22 ALA CA C 13 53.33 0.15 . 1 . . . . 108 ALA CA . 6920 1 147 . 1 1 22 22 ALA CB C 13 19.44 0.15 . 1 . . . . 108 ALA CB . 6920 1 148 . 1 1 22 22 ALA N N 15 125.1 0.15 . 1 . . . . 108 ALA N . 6920 1 149 . 1 1 23 23 ASN H H 1 8.49 0.05 . 1 . . . . 109 ASN H . 6920 1 150 . 1 1 23 23 ASN HA H 1 4.75 0.05 . 1 . . . . 109 ASN HA . 6920 1 151 . 1 1 23 23 ASN HB2 H 1 2.88 0.05 . 2 . . . . 109 ASN HB2 . 6920 1 152 . 1 1 23 23 ASN HB3 H 1 2.78 0.05 . 2 . . . . 109 ASN HB3 . 6920 1 153 . 1 1 23 23 ASN HD21 H 1 7.75 0.05 . 2 . . . . 109 ASN HD21 . 6920 1 154 . 1 1 23 23 ASN HD22 H 1 6.96 0.05 . 2 . . . . 109 ASN HD22 . 6920 1 155 . 1 1 23 23 ASN CA C 13 53.98 0.15 . 1 . . . . 109 ASN CA . 6920 1 156 . 1 1 23 23 ASN CB C 13 39.08 0.15 . 1 . . . . 109 ASN CB . 6920 1 157 . 1 1 23 23 ASN N N 15 116.7 0.15 . 1 . . . . 109 ASN N . 6920 1 158 . 1 1 23 23 ASN ND2 N 15 113.3 0.05 . 1 . . . . 109 ASN ND2 . 6920 1 159 . 1 1 24 24 THR H H 1 7.95 0.05 . 1 . . . . 110 THR H . 6920 1 160 . 1 1 24 24 THR HA H 1 4.31 0.05 . 1 . . . . 110 THR HA . 6920 1 161 . 1 1 24 24 THR HB H 1 4.08 0.05 . 1 . . . . 110 THR HB . 6920 1 162 . 1 1 24 24 THR CA C 13 62.24 0.15 . 1 . . . . 110 THR CA . 6920 1 163 . 1 1 24 24 THR CB C 13 69.81 0.15 . 1 . . . . 110 THR CB . 6920 1 164 . 1 1 24 24 THR N N 15 113.3 0.15 . 1 . . . . 110 THR N . 6920 1 165 . 1 1 25 25 MET H H 1 8.3 0.05 . 1 . . . . 111 MET H . 6920 1 166 . 1 1 25 25 MET HA H 1 4.35 0.05 . 1 . . . . 111 MET HA . 6920 1 167 . 1 1 25 25 MET HB2 H 1 1.77 0.05 . 2 . . . . 111 MET HB2 . 6920 1 168 . 1 1 25 25 MET CA C 13 55.96 0.15 . 1 . . . . 111 MET CA . 6920 1 169 . 1 1 25 25 MET CB C 13 33.19 0.15 . 1 . . . . 111 MET CB . 6920 1 170 . 1 1 25 25 MET N N 15 122.5 0.15 . 1 . . . . 111 MET N . 6920 1 171 . 1 1 26 26 THR H H 1 8.19 0.05 . 1 . . . . 112 THR H . 6920 1 172 . 1 1 26 26 THR HA H 1 4.32 0.05 . 1 . . . . 112 THR HA . 6920 1 173 . 1 1 26 26 THR HB H 1 4.26 0.05 . 1 . . . . 112 THR HB . 6920 1 174 . 1 1 26 26 THR HG21 H 1 1.25 0.05 . 1 . . . . 112 THR HG2 . 6920 1 175 . 1 1 26 26 THR HG22 H 1 1.25 0.05 . 1 . . . . 112 THR HG2 . 6920 1 176 . 1 1 26 26 THR HG23 H 1 1.25 0.05 . 1 . . . . 112 THR HG2 . 6920 1 177 . 1 1 26 26 THR CA C 13 61.91 0.15 . 1 . . . . 112 THR CA . 6920 1 178 . 1 1 26 26 THR CB C 13 69.96 0.15 . 1 . . . . 112 THR CB . 6920 1 179 . 1 1 26 26 THR N N 15 115.1 0.15 . 1 . . . . 112 THR N . 6920 1 180 . 1 1 27 27 SER H H 1 8.39 0.05 . 1 . . . . 113 SER H . 6920 1 181 . 1 1 27 27 SER HA H 1 4.55 0.05 . 1 . . . . 113 SER HA . 6920 1 182 . 1 1 27 27 SER HB2 H 1 3.92 0.05 . 2 . . . . 113 SER HB2 . 6920 1 183 . 1 1 27 27 SER CA C 13 58.38 0.15 . 1 . . . . 113 SER CA . 6920 1 184 . 1 1 27 27 SER CB C 13 64.09 0.15 . 1 . . . . 113 SER CB . 6920 1 185 . 1 1 27 27 SER N N 15 118.4 0.15 . 1 . . . . 113 SER N . 6920 1 186 . 1 1 28 28 ALA H H 1 8.37 0.05 . 1 . . . . 114 ALA H . 6920 1 187 . 1 1 28 28 ALA HA H 1 4.38 0.05 . 1 . . . . 114 ALA HA . 6920 1 188 . 1 1 28 28 ALA HB1 H 1 1.44 0.05 . 1 . . . . 114 ALA HB . 6920 1 189 . 1 1 28 28 ALA HB2 H 1 1.44 0.05 . 1 . . . . 114 ALA HB . 6920 1 190 . 1 1 28 28 ALA HB3 H 1 1.44 0.05 . 1 . . . . 114 ALA HB . 6920 1 191 . 1 1 28 28 ALA CA C 13 52.62 0.15 . 1 . . . . 114 ALA CA . 6920 1 192 . 1 1 28 28 ALA CB C 13 19.69 0.15 . 1 . . . . 114 ALA CB . 6920 1 193 . 1 1 28 28 ALA N N 15 126.3 0.15 . 1 . . . . 114 ALA N . 6920 1 194 . 1 1 29 29 GLU H H 1 8.32 0.05 . 1 . . . . 115 GLU H . 6920 1 195 . 1 1 29 29 GLU HA H 1 4.29 0.05 . 1 . . . . 115 GLU HA . 6920 1 196 . 1 1 29 29 GLU HB2 H 1 1.94 0.05 . 2 . . . . 115 GLU HB2 . 6920 1 197 . 1 1 29 29 GLU HG2 H 1 2.3 0.05 . 1 . . . . 115 GLU HG . 6920 1 198 . 1 1 29 29 GLU HG3 H 1 2.3 0.05 . 1 . . . . 115 GLU HG . 6920 1 199 . 1 1 29 29 GLU CA C 13 56.57 0.15 . 1 . . . . 115 GLU CA . 6920 1 200 . 1 1 29 29 GLU CB C 13 30.69 0.15 . 1 . . . . 115 GLU CB . 6920 1 201 . 1 1 29 29 GLU N N 15 120.4 0.15 . 1 . . . . 115 GLU N . 6920 1 202 . 1 1 30 30 LYS H H 1 8.19 0.05 . 1 . . . . 116 LYS H . 6920 1 203 . 1 1 30 30 LYS HA H 1 4.28 0.05 . 1 . . . . 116 LYS HA . 6920 1 204 . 1 1 30 30 LYS HB2 H 1 1.69 0.05 . 2 . . . . 116 LYS HB2 . 6920 1 205 . 1 1 30 30 LYS HG2 H 1 1.4 0.05 . 1 . . . . 116 LYS HG . 6920 1 206 . 1 1 30 30 LYS HG3 H 1 1.4 0.05 . 1 . . . . 116 LYS HG . 6920 1 207 . 1 1 30 30 LYS CA C 13 55.83 0.15 . 1 . . . . 116 LYS CA . 6920 1 208 . 1 1 30 30 LYS CB C 13 33.43 0.15 . 1 . . . . 116 LYS CB . 6920 1 209 . 1 1 30 30 LYS N N 15 122.8 0.15 . 1 . . . . 116 LYS N . 6920 1 210 . 1 1 31 31 VAL H H 1 8.51 0.05 . 1 . . . . 117 VAL H . 6920 1 211 . 1 1 31 31 VAL HA H 1 3.98 0.05 . 1 . . . . 117 VAL HA . 6920 1 212 . 1 1 31 31 VAL HB H 1 1.8 0.05 . 1 . . . . 117 VAL HB . 6920 1 213 . 1 1 31 31 VAL HG11 H 1 0.96 0.05 . 1 . . . . 117 VAL HG1 . 6920 1 214 . 1 1 31 31 VAL HG12 H 1 0.96 0.05 . 1 . . . . 117 VAL HG1 . 6920 1 215 . 1 1 31 31 VAL HG13 H 1 0.96 0.05 . 1 . . . . 117 VAL HG1 . 6920 1 216 . 1 1 31 31 VAL HG21 H 1 0.86 0.05 . 1 . . . . 117 VAL HG2 . 6920 1 217 . 1 1 31 31 VAL HG22 H 1 0.86 0.05 . 1 . . . . 117 VAL HG2 . 6920 1 218 . 1 1 31 31 VAL HG23 H 1 0.86 0.05 . 1 . . . . 117 VAL HG2 . 6920 1 219 . 1 1 31 31 VAL CA C 13 62.89 0.15 . 1 . . . . 117 VAL CA . 6920 1 220 . 1 1 31 31 VAL CB C 13 32.57 0.15 . 1 . . . . 117 VAL CB . 6920 1 221 . 1 1 31 31 VAL CG1 C 13 21.2 0.15 . 1 . . . . 117 VAL CG1 . 6920 1 222 . 1 1 31 31 VAL CG2 C 13 20.8 0.15 . 1 . . . . 117 VAL CG2 . 6920 1 223 . 1 1 31 31 VAL N N 15 124.3 0.15 . 1 . . . . 117 VAL N . 6920 1 224 . 1 1 32 32 LEU H H 1 8.33 0.05 . 1 . . . . 118 LEU H . 6920 1 225 . 1 1 32 32 LEU HA H 1 4.63 0.05 . 1 . . . . 118 LEU HA . 6920 1 226 . 1 1 32 32 LEU HB2 H 1 1.64 0.05 . 2 . . . . 118 LEU HB2 . 6920 1 227 . 1 1 32 32 LEU HB3 H 1 1.54 0.05 . 2 . . . . 118 LEU HB3 . 6920 1 228 . 1 1 32 32 LEU HG H 1 1.71 0.05 . 1 . . . . 118 LEU HG . 6920 1 229 . 1 1 32 32 LEU HD11 H 1 0.94 0.05 . 1 . . . . 118 LEU HD1 . 6920 1 230 . 1 1 32 32 LEU HD12 H 1 0.94 0.05 . 1 . . . . 118 LEU HD1 . 6920 1 231 . 1 1 32 32 LEU HD13 H 1 0.94 0.05 . 1 . . . . 118 LEU HD1 . 6920 1 232 . 1 1 32 32 LEU HD21 H 1 0.75 0.05 . 1 . . . . 118 LEU HD2 . 6920 1 233 . 1 1 32 32 LEU HD22 H 1 0.75 0.05 . 1 . . . . 118 LEU HD2 . 6920 1 234 . 1 1 32 32 LEU HD23 H 1 0.75 0.05 . 1 . . . . 118 LEU HD2 . 6920 1 235 . 1 1 32 32 LEU CA C 13 54.16 0.15 . 1 . . . . 118 LEU CA . 6920 1 236 . 1 1 32 32 LEU CB C 13 43.33 0.15 . 1 . . . . 118 LEU CB . 6920 1 237 . 1 1 32 32 LEU CG C 13 26.8 0.15 . 1 . . . . 118 LEU CG1 . 6920 1 238 . 1 1 32 32 LEU CD1 C 13 25.3 0.15 . 1 . . . . 118 LEU CD1 . 6920 1 239 . 1 1 32 32 LEU CD2 C 13 22.9 0.15 . 1 . . . . 118 LEU CD2 . 6920 1 240 . 1 1 32 32 LEU N N 15 128.4 0.15 . 1 . . . . 118 LEU N . 6920 1 241 . 1 1 33 33 CYS H H 1 8.78 0.05 . 1 . . . . 119 CYS H . 6920 1 242 . 1 1 33 33 CYS HA H 1 3.81 0.05 . 1 . . . . 119 CYS HA . 6920 1 243 . 1 1 33 33 CYS HB2 H 1 2.72 0.05 . 1 . . . . 119 CYS HB2 . 6920 1 244 . 1 1 33 33 CYS HB3 H 1 3.36 0.05 . 1 . . . . 119 CYS HB3 . 6920 1 245 . 1 1 33 33 CYS CA C 13 60.65 0.15 . 1 . . . . 119 CYS CA . 6920 1 246 . 1 1 33 33 CYS CB C 13 32.06 0.15 . 1 . . . . 119 CYS CB . 6920 1 247 . 1 1 33 33 CYS N N 15 121.2 0.15 . 1 . . . . 119 CYS N . 6920 1 248 . 1 1 34 34 GLN H H 1 8.74 0.05 . 1 . . . . 120 GLN H . 6920 1 249 . 1 1 34 34 GLN HA H 1 4.42 0.05 . 1 . . . . 120 GLN HA . 6920 1 250 . 1 1 34 34 GLN HB2 H 1 2.18 0.05 . 1 . . . . 120 GLN HB . 6920 1 251 . 1 1 34 34 GLN HB3 H 1 2.18 0.05 . 1 . . . . 120 GLN HB . 6920 1 252 . 1 1 34 34 GLN HG2 H 1 2.56 0.05 . 1 . . . . 120 GLN HG . 6920 1 253 . 1 1 34 34 GLN HG3 H 1 2.56 0.05 . 1 . . . . 120 GLN HG . 6920 1 254 . 1 1 34 34 GLN CA C 13 56.77 0.15 . 1 . . . . 120 GLN CA . 6920 1 255 . 1 1 34 34 GLN CB C 13 31.49 0.15 . 1 . . . . 120 GLN CB . 6920 1 256 . 1 1 34 34 GLN N N 15 126.7 0.15 . 1 . . . . 120 GLN N . 6920 1 257 . 1 1 35 35 PHE H H 1 9.8 0.05 . 1 . . . . 121 PHE H . 6920 1 258 . 1 1 35 35 PHE HA H 1 4.48 0.05 . 1 . . . . 121 PHE HA . 6920 1 259 . 1 1 35 35 PHE HB2 H 1 2.96 0.05 . 1 . . . . 121 PHE HB2 . 6920 1 260 . 1 1 35 35 PHE HB3 H 1 3.94 0.05 . 1 . . . . 121 PHE HB3 . 6920 1 261 . 1 1 35 35 PHE HD1 H 1 7.69 0.05 . 1 . . . . 121 PHE HD . 6920 1 262 . 1 1 35 35 PHE HD2 H 1 7.69 0.05 . 1 . . . . 121 PHE HD . 6920 1 263 . 1 1 35 35 PHE HE1 H 1 6.7 0.05 . 1 . . . . 121 PHE HE . 6920 1 264 . 1 1 35 35 PHE HE2 H 1 6.7 0.05 . 1 . . . . 121 PHE HE . 6920 1 265 . 1 1 35 35 PHE HZ H 1 6.48 0.05 . 1 . . . . 121 PHE HZ . 6920 1 266 . 1 1 35 35 PHE CA C 13 61.17 0.15 . 1 . . . . 121 PHE CA . 6920 1 267 . 1 1 35 35 PHE CB C 13 41.78 0.15 . 1 . . . . 121 PHE CB . 6920 1 268 . 1 1 35 35 PHE N N 15 127.5 0.15 . 1 . . . . 121 PHE N . 6920 1 269 . 1 1 36 36 CYS H H 1 8.74 0.05 . 1 . . . . 122 CYS H . 6920 1 270 . 1 1 36 36 CYS HA H 1 4.34 0.05 . 1 . . . . 122 CYS HA . 6920 1 271 . 1 1 36 36 CYS HB2 H 1 3.09 0.05 . 1 . . . . 122 CYS HB2 . 6920 1 272 . 1 1 36 36 CYS HB3 H 1 3.03 0.05 . 1 . . . . 122 CYS HB3 . 6920 1 273 . 1 1 36 36 CYS CA C 13 62 0.15 . 1 . . . . 122 CYS CA . 6920 1 274 . 1 1 36 36 CYS CB C 13 32.64 0.15 . 1 . . . . 122 CYS CB . 6920 1 275 . 1 1 36 36 CYS N N 15 124.8 0.15 . 1 . . . . 122 CYS N . 6920 1 276 . 1 1 37 37 ASP H H 1 8.51 0.05 . 1 . . . . 123 ASP H . 6920 1 277 . 1 1 37 37 ASP HA H 1 4.34 0.05 . 1 . . . . 123 ASP HA . 6920 1 278 . 1 1 37 37 ASP HB2 H 1 2.71 0.05 . 2 . . . . 123 ASP HB2 . 6920 1 279 . 1 1 37 37 ASP HB3 H 1 2.64 0.05 . 2 . . . . 123 ASP HB3 . 6920 1 280 . 1 1 37 37 ASP CA C 13 53.82 0.15 . 1 . . . . 123 ASP CA . 6920 1 281 . 1 1 37 37 ASP CB C 13 41.77 0.15 . 1 . . . . 123 ASP CB . 6920 1 282 . 1 1 37 37 ASP N N 15 121.2 0.15 . 1 . . . . 123 ASP N . 6920 1 283 . 1 1 38 38 GLN H H 1 7.91 0.05 . 1 . . . . 124 GLN H . 6920 1 284 . 1 1 38 38 GLN HA H 1 4.4 0.05 . 1 . . . . 124 GLN HA . 6920 1 285 . 1 1 38 38 GLN HB2 H 1 2.12 0.05 . 2 . . . . 124 GLN HB2 . 6920 1 286 . 1 1 38 38 GLN HB3 H 1 2.03 0.05 . 2 . . . . 124 GLN HB3 . 6920 1 287 . 1 1 38 38 GLN HG2 H 1 2.41 0.05 . 1 . . . . 124 GLN HG . 6920 1 288 . 1 1 38 38 GLN HG3 H 1 2.41 0.05 . 1 . . . . 124 GLN HG . 6920 1 289 . 1 1 38 38 GLN CA C 13 55.56 0.15 . 1 . . . . 124 GLN CA . 6920 1 290 . 1 1 38 38 GLN CB C 13 30.89 0.15 . 1 . . . . 124 GLN CB . 6920 1 291 . 1 1 38 38 GLN N N 15 119.4 0.15 . 1 . . . . 124 GLN N . 6920 1 292 . 1 1 39 39 ASP H H 1 8.2 0.05 . 1 . . . . 125 ASP H . 6920 1 293 . 1 1 39 39 ASP HA H 1 4.98 0.05 . 1 . . . . 125 ASP HA . 6920 1 294 . 1 1 39 39 ASP HB2 H 1 2.77 0.05 . 2 . . . . 125 ASP HB2 . 6920 1 295 . 1 1 39 39 ASP HB3 H 1 2.49 0.05 . 2 . . . . 125 ASP HB3 . 6920 1 296 . 1 1 39 39 ASP CA C 13 50.78 0.15 . 1 . . . . 125 ASP CA . 6920 1 297 . 1 1 39 39 ASP CB C 13 43.51 0.15 . 1 . . . . 125 ASP CB . 6920 1 298 . 1 1 39 39 ASP N N 15 119.6 0.15 . 1 . . . . 125 ASP N . 6920 1 299 . 1 1 40 40 PRO HA H 1 4.95 0.05 . 1 . . . . 126 PRO HA . 6920 1 300 . 1 1 40 40 PRO HB2 H 1 2.42 0.05 . 2 . . . . 126 PRO HB2 . 6920 1 301 . 1 1 40 40 PRO HB3 H 1 2.11 0.05 . 2 . . . . 126 PRO HB3 . 6920 1 302 . 1 1 40 40 PRO HG2 H 1 1.88 0.05 . 1 . . . . 126 PRO HG . 6920 1 303 . 1 1 40 40 PRO HG3 H 1 1.88 0.05 . 1 . . . . 126 PRO HG . 6920 1 304 . 1 1 40 40 PRO HD2 H 1 3.55 0.05 . 2 . . . . 126 PRO HD1 . 6920 1 305 . 1 1 40 40 PRO HD3 H 1 3.5 0.05 . 2 . . . . 126 PRO HD2 . 6920 1 306 . 1 1 40 40 PRO CA C 13 63.11 0.15 . 1 . . . . 126 PRO CA . 6920 1 307 . 1 1 40 40 PRO CB C 13 34.45 0.15 . 1 . . . . 126 PRO CB . 6920 1 308 . 1 1 41 41 ALA H H 1 8.52 0.05 . 1 . . . . 127 ALA H . 6920 1 309 . 1 1 41 41 ALA HA H 1 4.18 0.05 . 1 . . . . 127 ALA HA . 6920 1 310 . 1 1 41 41 ALA HB1 H 1 1.63 0.05 . 1 . . . . 127 ALA HB . 6920 1 311 . 1 1 41 41 ALA HB2 H 1 1.63 0.05 . 1 . . . . 127 ALA HB . 6920 1 312 . 1 1 41 41 ALA HB3 H 1 1.63 0.05 . 1 . . . . 127 ALA HB . 6920 1 313 . 1 1 41 41 ALA CA C 13 52.61 0.15 . 1 . . . . 127 ALA CA . 6920 1 314 . 1 1 41 41 ALA CB C 13 20.6 0.15 . 1 . . . . 127 ALA CB . 6920 1 315 . 1 1 41 41 ALA N N 15 124.3 0.15 . 1 . . . . 127 ALA N . 6920 1 316 . 1 1 42 42 GLN H H 1 8.53 0.05 . 1 . . . . 128 GLN H . 6920 1 317 . 1 1 42 42 GLN HA H 1 4.37 0.05 . 1 . . . . 128 GLN HA . 6920 1 318 . 1 1 42 42 GLN HB2 H 1 2.14 0.05 . 1 . . . . 128 GLN HB . 6920 1 319 . 1 1 42 42 GLN HB3 H 1 2.14 0.05 . 1 . . . . 128 GLN HB . 6920 1 320 . 1 1 42 42 GLN CA C 13 56.9 0.15 . 1 . . . . 128 GLN CA . 6920 1 321 . 1 1 42 42 GLN CB C 13 30.64 0.15 . 1 . . . . 128 GLN CB . 6920 1 322 . 1 1 42 42 GLN N N 15 119.8 0.15 . 1 . . . . 128 GLN N . 6920 1 323 . 1 1 43 43 ASP H H 1 8.54 0.05 . 1 . . . . 129 ASP H . 6920 1 324 . 1 1 43 43 ASP HA H 1 4.54 0.05 . 1 . . . . 129 ASP HA . 6920 1 325 . 1 1 43 43 ASP HB2 H 1 2.66 0.05 . 2 . . . . 129 ASP HB2 . 6920 1 326 . 1 1 43 43 ASP HB3 H 1 2.44 0.05 . 2 . . . . 129 ASP HB3 . 6920 1 327 . 1 1 43 43 ASP CA C 13 55.56 0.15 . 1 . . . . 129 ASP CA . 6920 1 328 . 1 1 43 43 ASP CB C 13 40.77 0.15 . 1 . . . . 129 ASP CB . 6920 1 329 . 1 1 43 43 ASP N N 15 122.1 0.15 . 1 . . . . 129 ASP N . 6920 1 330 . 1 1 44 44 ALA H H 1 8.94 0.05 . 1 . . . . 130 ALA H . 6920 1 331 . 1 1 44 44 ALA HA H 1 3.83 0.05 . 1 . . . . 130 ALA HA . 6920 1 332 . 1 1 44 44 ALA HB1 H 1 0.96 0.05 . 1 . . . . 130 ALA HB . 6920 1 333 . 1 1 44 44 ALA HB2 H 1 0.96 0.05 . 1 . . . . 130 ALA HB . 6920 1 334 . 1 1 44 44 ALA HB3 H 1 0.96 0.05 . 1 . . . . 130 ALA HB . 6920 1 335 . 1 1 44 44 ALA CA C 13 52.32 0.15 . 1 . . . . 130 ALA CA . 6920 1 336 . 1 1 44 44 ALA CB C 13 19.44 0.15 . 1 . . . . 130 ALA CB . 6920 1 337 . 1 1 44 44 ALA N N 15 122.6 0.15 . 1 . . . . 130 ALA N . 6920 1 338 . 1 1 45 45 VAL H H 1 9.57 0.05 . 1 . . . . 131 VAL H . 6920 1 339 . 1 1 45 45 VAL HA H 1 4.57 0.05 . 1 . . . . 131 VAL HA . 6920 1 340 . 1 1 45 45 VAL HB H 1 2.31 0.05 . 1 . . . . 131 VAL HB . 6920 1 341 . 1 1 45 45 VAL HG11 H 1 0.96 0.05 . 1 . . . . 131 VAL HG1 . 6920 1 342 . 1 1 45 45 VAL HG12 H 1 0.96 0.05 . 1 . . . . 131 VAL HG1 . 6920 1 343 . 1 1 45 45 VAL HG13 H 1 0.96 0.05 . 1 . . . . 131 VAL HG1 . 6920 1 344 . 1 1 45 45 VAL HG21 H 1 1 0.05 . 1 . . . . 131 VAL HG2 . 6920 1 345 . 1 1 45 45 VAL HG22 H 1 1 0.05 . 1 . . . . 131 VAL HG2 . 6920 1 346 . 1 1 45 45 VAL HG23 H 1 1 0.05 . 1 . . . . 131 VAL HG2 . 6920 1 347 . 1 1 45 45 VAL CA C 13 61.57 0.15 . 1 . . . . 131 VAL CA . 6920 1 348 . 1 1 45 45 VAL CB C 13 33.7 0.15 . 1 . . . . 131 VAL CB . 6920 1 349 . 1 1 45 45 VAL CG1 C 13 22 0.15 . 2 . . . . 131 VAL CG1 . 6920 1 350 . 1 1 45 45 VAL N N 15 115.9 0.15 . 1 . . . . 131 VAL N . 6920 1 351 . 1 1 46 46 LYS H H 1 7.88 0.05 . 1 . . . . 132 LYS H . 6920 1 352 . 1 1 46 46 LYS HA H 1 5.07 0.05 . 1 . . . . 132 LYS HA . 6920 1 353 . 1 1 46 46 LYS HB2 H 1 1.75 0.05 . 1 . . . . 132 LYS HB . 6920 1 354 . 1 1 46 46 LYS HB3 H 1 1.75 0.05 . 1 . . . . 132 LYS HB . 6920 1 355 . 1 1 46 46 LYS HG2 H 1 1.93 0.05 . 1 . . . . 132 LYS HG . 6920 1 356 . 1 1 46 46 LYS HG3 H 1 1.93 0.05 . 1 . . . . 132 LYS HG . 6920 1 357 . 1 1 46 46 LYS HD2 H 1 2.88 0.05 . 1 . . . . 132 LYS HD . 6920 1 358 . 1 1 46 46 LYS HD3 H 1 2.88 0.05 . 1 . . . . 132 LYS HD . 6920 1 359 . 1 1 46 46 LYS CA C 13 54.07 0.15 . 1 . . . . 132 LYS CA . 6920 1 360 . 1 1 46 46 LYS CB C 13 39.65 0.15 . 1 . . . . 132 LYS CB . 6920 1 361 . 1 1 46 46 LYS N N 15 118.1 0.15 . 1 . . . . 132 LYS N . 6920 1 362 . 1 1 47 47 THR H H 1 9.29 0.05 . 1 . . . . 133 THR H . 6920 1 363 . 1 1 47 47 THR HA H 1 4.78 0.05 . 1 . . . . 133 THR HA . 6920 1 364 . 1 1 47 47 THR HB H 1 3.66 0.05 . 1 . . . . 133 THR HB . 6920 1 365 . 1 1 47 47 THR HG21 H 1 0.91 0.05 . 1 . . . . 133 THR HG2 . 6920 1 366 . 1 1 47 47 THR HG22 H 1 0.91 0.05 . 1 . . . . 133 THR HG2 . 6920 1 367 . 1 1 47 47 THR HG23 H 1 0.91 0.05 . 1 . . . . 133 THR HG2 . 6920 1 368 . 1 1 47 47 THR CA C 13 62.49 0.15 . 1 . . . . 133 THR CA . 6920 1 369 . 1 1 47 47 THR CB C 13 71.09 0.15 . 1 . . . . 133 THR CB . 6920 1 370 . 1 1 47 47 THR CG2 C 13 20.78 0.15 . 1 . . . . 133 THR CG2 . 6920 1 371 . 1 1 47 47 THR N N 15 119.7 0.15 . 1 . . . . 133 THR N . 6920 1 372 . 1 1 48 48 CYS H H 1 9.36 0.05 . 1 . . . . 134 CYS H . 6920 1 373 . 1 1 48 48 CYS HA H 1 5.16 0.05 . 1 . . . . 134 CYS HA . 6920 1 374 . 1 1 48 48 CYS HB2 H 1 3.53 0.05 . 1 . . . . 134 CYS HB2 . 6920 1 375 . 1 1 48 48 CYS HB3 H 1 2.68 0.05 . 1 . . . . 134 CYS HB3 . 6920 1 376 . 1 1 48 48 CYS CA C 13 59.05 0.15 . 1 . . . . 134 CYS CA . 6920 1 377 . 1 1 48 48 CYS CB C 13 30 0.15 . 1 . . . . 134 CYS CB . 6920 1 378 . 1 1 48 48 CYS N N 15 128.6 0.15 . 1 . . . . 134 CYS N . 6920 1 379 . 1 1 49 49 VAL H H 1 9.28 0.05 . 1 . . . . 135 VAL H . 6920 1 380 . 1 1 49 49 VAL HA H 1 3.95 0.05 . 1 . . . . 135 VAL HA . 6920 1 381 . 1 1 49 49 VAL HB H 1 2.29 0.05 . 1 . . . . 135 VAL HB . 6920 1 382 . 1 1 49 49 VAL HG11 H 1 1.08 0.05 . 1 . . . . 135 VAL HG1 . 6920 1 383 . 1 1 49 49 VAL HG12 H 1 1.08 0.05 . 1 . . . . 135 VAL HG1 . 6920 1 384 . 1 1 49 49 VAL HG13 H 1 1.08 0.05 . 1 . . . . 135 VAL HG1 . 6920 1 385 . 1 1 49 49 VAL HG21 H 1 1.05 0.05 . 1 . . . . 135 VAL HG2 . 6920 1 386 . 1 1 49 49 VAL HG22 H 1 1.05 0.05 . 1 . . . . 135 VAL HG2 . 6920 1 387 . 1 1 49 49 VAL HG23 H 1 1.05 0.05 . 1 . . . . 135 VAL HG2 . 6920 1 388 . 1 1 49 49 VAL CA C 13 64.28 0.15 . 1 . . . . 135 VAL CA . 6920 1 389 . 1 1 49 49 VAL CB C 13 32.04 0.15 . 1 . . . . 135 VAL CB . 6920 1 390 . 1 1 49 49 VAL N N 15 128.5 0.15 . 1 . . . . 135 VAL N . 6920 1 391 . 1 1 50 50 THR H H 1 8.47 0.05 . 1 . . . . 136 THR H . 6920 1 392 . 1 1 50 50 THR HA H 1 4.02 0.05 . 1 . . . . 136 THR HA . 6920 1 393 . 1 1 50 50 THR HB H 1 3.61 0.05 . 1 . . . . 136 THR HB . 6920 1 394 . 1 1 50 50 THR HG21 H 1 0.74 0.05 . 1 . . . . 136 THR HG2 . 6920 1 395 . 1 1 50 50 THR HG22 H 1 0.74 0.05 . 1 . . . . 136 THR HG2 . 6920 1 396 . 1 1 50 50 THR HG23 H 1 0.74 0.05 . 1 . . . . 136 THR HG2 . 6920 1 397 . 1 1 50 50 THR CA C 13 67.12 0.15 . 1 . . . . 136 THR CA . 6920 1 398 . 1 1 50 50 THR CB C 13 70.39 0.15 . 1 . . . . 136 THR CB . 6920 1 399 . 1 1 50 50 THR CG2 C 13 20.78 0.15 . 1 . . . . 136 THR CG2 . 6920 1 400 . 1 1 50 50 THR N N 15 121.6 0.15 . 1 . . . . 136 THR N . 6920 1 401 . 1 1 51 51 CYS H H 1 9.35 0.05 . 1 . . . . 137 CYS H . 6920 1 402 . 1 1 51 51 CYS HA H 1 4.15 0.05 . 1 . . . . 137 CYS HA . 6920 1 403 . 1 1 51 51 CYS HB2 H 1 3.5 0.05 . 1 . . . . 137 CYS HB2 . 6920 1 404 . 1 1 51 51 CYS HB3 H 1 3.14 0.05 . 1 . . . . 137 CYS HB3 . 6920 1 405 . 1 1 51 51 CYS CA C 13 63.06 0.15 . 1 . . . . 137 CYS CA . 6920 1 406 . 1 1 51 51 CYS CB C 13 30.55 0.15 . 1 . . . . 137 CYS CB . 6920 1 407 . 1 1 51 51 CYS N N 15 122.1 0.15 . 1 . . . . 137 CYS N . 6920 1 408 . 1 1 52 52 GLU H H 1 7.99 0.05 . 1 . . . . 138 GLU H . 6920 1 409 . 1 1 52 52 GLU HA H 1 3.77 0.05 . 1 . . . . 138 GLU HA . 6920 1 410 . 1 1 52 52 GLU HB2 H 1 1.99 0.05 . 2 . . . . 138 GLU HB2 . 6920 1 411 . 1 1 52 52 GLU HB3 H 1 2.37 0.05 . 2 . . . . 138 GLU HB3 . 6920 1 412 . 1 1 52 52 GLU HG2 H 1 2.05 0.05 . 2 . . . . 138 GLU HG2 . 6920 1 413 . 1 1 52 52 GLU CA C 13 56.91 0.15 . 1 . . . . 138 GLU CA . 6920 1 414 . 1 1 52 52 GLU CB C 13 26.34 0.15 . 1 . . . . 138 GLU CB . 6920 1 415 . 1 1 52 52 GLU N N 15 111.2 0.15 . 1 . . . . 138 GLU N . 6920 1 416 . 1 1 53 53 VAL H H 1 7.36 0.05 . 1 . . . . 139 VAL H . 6920 1 417 . 1 1 53 53 VAL HA H 1 4.36 0.05 . 1 . . . . 139 VAL HA . 6920 1 418 . 1 1 53 53 VAL HB H 1 1.71 0.05 . 1 . . . . 139 VAL HB . 6920 1 419 . 1 1 53 53 VAL HG11 H 1 0.3 0.05 . 1 . . . . 139 VAL HG1 . 6920 1 420 . 1 1 53 53 VAL HG12 H 1 0.3 0.05 . 1 . . . . 139 VAL HG1 . 6920 1 421 . 1 1 53 53 VAL HG13 H 1 0.3 0.05 . 1 . . . . 139 VAL HG1 . 6920 1 422 . 1 1 53 53 VAL HG21 H 1 0.71 0.05 . 1 . . . . 139 VAL HG2 . 6920 1 423 . 1 1 53 53 VAL HG22 H 1 0.71 0.05 . 1 . . . . 139 VAL HG2 . 6920 1 424 . 1 1 53 53 VAL HG23 H 1 0.71 0.05 . 1 . . . . 139 VAL HG2 . 6920 1 425 . 1 1 53 53 VAL CA C 13 60.87 0.15 . 1 . . . . 139 VAL CA . 6920 1 426 . 1 1 53 53 VAL CB C 13 37.23 0.15 . 1 . . . . 139 VAL CB . 6920 1 427 . 1 1 53 53 VAL CG1 C 13 22.6 0.15 . 1 . . . . 139 VAL CG1 . 6920 1 428 . 1 1 53 53 VAL CG2 C 13 22.2 0.15 . 1 . . . . 139 VAL CG2 . 6920 1 429 . 1 1 53 53 VAL N N 15 117.9 0.15 . 1 . . . . 139 VAL N . 6920 1 430 . 1 1 54 54 SER H H 1 8.57 0.05 . 1 . . . . 140 SER H . 6920 1 431 . 1 1 54 54 SER HA H 1 5.26 0.05 . 1 . . . . 140 SER HA . 6920 1 432 . 1 1 54 54 SER HB2 H 1 3.46 0.05 . 2 . . . . 140 SER HB2 . 6920 1 433 . 1 1 54 54 SER CA C 13 58.61 0.15 . 1 . . . . 140 SER CA . 6920 1 434 . 1 1 54 54 SER CB C 13 63.95 0.15 . 1 . . . . 140 SER CB . 6920 1 435 . 1 1 54 54 SER N N 15 121.9 0.15 . 1 . . . . 140 SER N . 6920 1 436 . 1 1 55 55 TYR H H 1 8.88 0.05 . 1 . . . . 141 TYR H . 6920 1 437 . 1 1 55 55 TYR HA H 1 6.44 0.05 . 1 . . . . 141 TYR HA . 6920 1 438 . 1 1 55 55 TYR HB2 H 1 2.43 0.05 . 1 . . . . 141 TYR HB2 . 6920 1 439 . 1 1 55 55 TYR HB3 H 1 3.43 0.05 . 1 . . . . 141 TYR HB3 . 6920 1 440 . 1 1 55 55 TYR HD1 H 1 6.69 0.05 . 1 . . . . 141 TYR HD . 6920 1 441 . 1 1 55 55 TYR HD2 H 1 6.69 0.05 . 1 . . . . 141 TYR HD . 6920 1 442 . 1 1 55 55 TYR HE1 H 1 6.4 0.05 . 1 . . . . 141 TYR HE . 6920 1 443 . 1 1 55 55 TYR HE2 H 1 6.4 0.05 . 1 . . . . 141 TYR HE . 6920 1 444 . 1 1 55 55 TYR CA C 13 57.65 0.15 . 1 . . . . 141 TYR CA . 6920 1 445 . 1 1 55 55 TYR CB C 13 45.73 0.15 . 1 . . . . 141 TYR CB . 6920 1 446 . 1 1 55 55 TYR N N 15 121.1 0.15 . 1 . . . . 141 TYR N . 6920 1 447 . 1 1 56 56 CYS H H 1 10.03 0.05 . 1 . . . . 142 CYS H . 6920 1 448 . 1 1 56 56 CYS HA H 1 5.1 0.05 . 1 . . . . 142 CYS HA . 6920 1 449 . 1 1 56 56 CYS HB2 H 1 3.82 0.05 . 1 . . . . 142 CYS HB2 . 6920 1 450 . 1 1 56 56 CYS HB3 H 1 3.53 0.05 . 1 . . . . 142 CYS HB3 . 6920 1 451 . 1 1 56 56 CYS CA C 13 59.3 0.15 . 1 . . . . 142 CYS CA . 6920 1 452 . 1 1 56 56 CYS CB C 13 32.08 0.15 . 1 . . . . 142 CYS CB . 6920 1 453 . 1 1 56 56 CYS N N 15 122 0.15 . 1 . . . . 142 CYS N . 6920 1 454 . 1 1 57 57 ASP H H 1 8.81 0.05 . 1 . . . . 143 ASP H . 6920 1 455 . 1 1 57 57 ASP HA H 1 4.26 0.05 . 1 . . . . 143 ASP HA . 6920 1 456 . 1 1 57 57 ASP HB2 H 1 2.66 0.05 . 2 . . . . 143 ASP HB2 . 6920 1 457 . 1 1 57 57 ASP HB3 H 1 2.7 0.05 . 2 . . . . 143 ASP HB3 . 6920 1 458 . 1 1 57 57 ASP CA C 13 58.81 0.15 . 1 . . . . 143 ASP CA . 6920 1 459 . 1 1 57 57 ASP CB C 13 42.44 0.15 . 1 . . . . 143 ASP CB . 6920 1 460 . 1 1 57 57 ASP N N 15 118.3 0.15 . 1 . . . . 143 ASP N . 6920 1 461 . 1 1 58 58 GLU H H 1 8.26 0.05 . 1 . . . . 144 GLU H . 6920 1 462 . 1 1 58 58 GLU HA H 1 3.98 0.05 . 1 . . . . 144 GLU HA . 6920 1 463 . 1 1 58 58 GLU HB2 H 1 2.24 0.05 . 2 . . . . 144 GLU HB2 . 6920 1 464 . 1 1 58 58 GLU HB3 H 1 2.13 0.05 . 2 . . . . 144 GLU HB3 . 6920 1 465 . 1 1 58 58 GLU HG2 H 1 2.4 0.05 . 1 . . . . 144 GLU HG . 6920 1 466 . 1 1 58 58 GLU HG3 H 1 2.4 0.05 . 1 . . . . 144 GLU HG . 6920 1 467 . 1 1 58 58 GLU CA C 13 60.06 0.15 . 1 . . . . 144 GLU CA . 6920 1 468 . 1 1 58 58 GLU CB C 13 30.2 0.15 . 1 . . . . 144 GLU CB . 6920 1 469 . 1 1 58 58 GLU N N 15 118.8 0.15 . 1 . . . . 144 GLU N . 6920 1 470 . 1 1 59 59 CYS H H 1 8.82 0.05 . 1 . . . . 145 CYS H . 6920 1 471 . 1 1 59 59 CYS HA H 1 3.94 0.05 . 1 . . . . 145 CYS HA . 6920 1 472 . 1 1 59 59 CYS HB2 H 1 3.06 0.05 . 1 . . . . 145 CYS HB2 . 6920 1 473 . 1 1 59 59 CYS HB3 H 1 3.24 0.05 . 1 . . . . 145 CYS HB3 . 6920 1 474 . 1 1 59 59 CYS CA C 13 64.05 0.15 . 1 . . . . 145 CYS CA . 6920 1 475 . 1 1 59 59 CYS CB C 13 31.59 0.15 . 1 . . . . 145 CYS CB . 6920 1 476 . 1 1 59 59 CYS N N 15 124.7 0.15 . 1 . . . . 145 CYS N . 6920 1 477 . 1 1 60 60 LEU H H 1 8.72 0.05 . 1 . . . . 146 LEU H . 6920 1 478 . 1 1 60 60 LEU HA H 1 3.11 0.05 . 1 . . . . 146 LEU HA . 6920 1 479 . 1 1 60 60 LEU HB2 H 1 1.95 0.05 . 1 . . . . 146 LEU HB2 . 6920 1 480 . 1 1 60 60 LEU HB3 H 1 1.4 0.05 . 1 . . . . 146 LEU HB3 . 6920 1 481 . 1 1 60 60 LEU HG H 1 1.35 0.05 . 1 . . . . 146 LEU HG . 6920 1 482 . 1 1 60 60 LEU HD11 H 1 0.77 0.05 . 1 . . . . 146 LEU HD1 . 6920 1 483 . 1 1 60 60 LEU HD12 H 1 0.77 0.05 . 1 . . . . 146 LEU HD1 . 6920 1 484 . 1 1 60 60 LEU HD13 H 1 0.77 0.05 . 1 . . . . 146 LEU HD1 . 6920 1 485 . 1 1 60 60 LEU HD21 H 1 0.25 0.05 . 1 . . . . 146 LEU HD2 . 6920 1 486 . 1 1 60 60 LEU HD22 H 1 0.25 0.05 . 1 . . . . 146 LEU HD2 . 6920 1 487 . 1 1 60 60 LEU HD23 H 1 0.25 0.05 . 1 . . . . 146 LEU HD2 . 6920 1 488 . 1 1 60 60 LEU CA C 13 58.19 0.15 . 1 . . . . 146 LEU CA . 6920 1 489 . 1 1 60 60 LEU CB C 13 41.83 0.15 . 1 . . . . 146 LEU CB . 6920 1 490 . 1 1 60 60 LEU CD1 C 13 26.8 0.15 . 1 . . . . 146 LEU CD1 . 6920 1 491 . 1 1 60 60 LEU CD2 C 13 22.8 0.15 . 1 . . . . 146 LEU CD2 . 6920 1 492 . 1 1 60 60 LEU N N 15 123.1 0.15 . 1 . . . . 146 LEU N . 6920 1 493 . 1 1 61 61 LYS H H 1 7.53 0.05 . 1 . . . . 147 LYS H . 6920 1 494 . 1 1 61 61 LYS HA H 1 3.79 0.05 . 1 . . . . 147 LYS HA . 6920 1 495 . 1 1 61 61 LYS HB2 H 1 1.77 0.05 . 1 . . . . 147 LYS HB . 6920 1 496 . 1 1 61 61 LYS HB3 H 1 1.77 0.05 . 1 . . . . 147 LYS HB . 6920 1 497 . 1 1 61 61 LYS HG2 H 1 1.56 0.05 . 2 . . . . 147 LYS HG2 . 6920 1 498 . 1 1 61 61 LYS HG3 H 1 1.38 0.05 . 2 . . . . 147 LYS HG3 . 6920 1 499 . 1 1 61 61 LYS CA C 13 58.92 0.15 . 1 . . . . 147 LYS CA . 6920 1 500 . 1 1 61 61 LYS CB C 13 32.37 0.15 . 1 . . . . 147 LYS CB . 6920 1 501 . 1 1 61 61 LYS N N 15 116.9 0.15 . 1 . . . . 147 LYS N . 6920 1 502 . 1 1 62 62 ALA H H 1 7.48 0.05 . 1 . . . . 148 ALA H . 6920 1 503 . 1 1 62 62 ALA HA H 1 4.04 0.05 . 1 . . . . 148 ALA HA . 6920 1 504 . 1 1 62 62 ALA HB1 H 1 1.42 0.05 . 1 . . . . 148 ALA HB . 6920 1 505 . 1 1 62 62 ALA HB2 H 1 1.42 0.05 . 1 . . . . 148 ALA HB . 6920 1 506 . 1 1 62 62 ALA HB3 H 1 1.42 0.05 . 1 . . . . 148 ALA HB . 6920 1 507 . 1 1 62 62 ALA CA C 13 54.37 0.15 . 1 . . . . 148 ALA CA . 6920 1 508 . 1 1 62 62 ALA CB C 13 18.93 0.15 . 1 . . . . 148 ALA CB . 6920 1 509 . 1 1 62 62 ALA N N 15 117.8 0.15 . 1 . . . . 148 ALA N . 6920 1 510 . 1 1 63 63 THR H H 1 7.17 0.05 . 1 . . . . 149 THR H . 6920 1 511 . 1 1 63 63 THR HA H 1 4.17 0.05 . 1 . . . . 149 THR HA . 6920 1 512 . 1 1 63 63 THR HB H 1 4.25 0.05 . 1 . . . . 149 THR HB . 6920 1 513 . 1 1 63 63 THR HG21 H 1 0.69 0.05 . 1 . . . . 149 THR HG2 . 6920 1 514 . 1 1 63 63 THR HG22 H 1 0.69 0.05 . 1 . . . . 149 THR HG2 . 6920 1 515 . 1 1 63 63 THR HG23 H 1 0.69 0.05 . 1 . . . . 149 THR HG2 . 6920 1 516 . 1 1 63 63 THR CA C 13 62.81 0.15 . 1 . . . . 149 THR CA . 6920 1 517 . 1 1 63 63 THR CB C 13 72.4 0.15 . 1 . . . . 149 THR CB . 6920 1 518 . 1 1 63 63 THR N N 15 133.3 0.15 . 1 . . . . 149 THR N . 6920 1 519 . 1 1 64 64 HIS H H 1 7.86 0.05 . 1 . . . . 150 HIS H . 6920 1 520 . 1 1 64 64 HIS HA H 1 4.12 0.05 . 1 . . . . 150 HIS HA . 6920 1 521 . 1 1 64 64 HIS HB2 H 1 3.06 0.05 . 1 . . . . 150 HIS HB2 . 6920 1 522 . 1 1 64 64 HIS HB3 H 1 2.85 0.05 . 1 . . . . 150 HIS HB3 . 6920 1 523 . 1 1 64 64 HIS CA C 13 53.83 0.15 . 1 . . . . 150 HIS CA . 6920 1 524 . 1 1 64 64 HIS CB C 13 27.86 0.15 . 1 . . . . 150 HIS CB . 6920 1 525 . 1 1 64 64 HIS N N 15 118.8 0.15 . 1 . . . . 150 HIS N . 6920 1 526 . 1 1 65 65 PRO HA H 1 4.32 0.05 . 1 . . . . 151 PRO HA . 6920 1 527 . 1 1 65 65 PRO HB2 H 1 2.37 0.05 . 2 . . . . 151 PRO HB2 . 6920 1 528 . 1 1 65 65 PRO HB3 H 1 2.02 0.05 . 2 . . . . 151 PRO HB3 . 6920 1 529 . 1 1 65 65 PRO HG2 H 1 2.1 0.05 . 1 . . . . 151 PRO HG . 6920 1 530 . 1 1 65 65 PRO HG3 H 1 2.1 0.05 . 1 . . . . 151 PRO HG . 6920 1 531 . 1 1 65 65 PRO HD2 H 1 3.88 0.05 . 2 . . . . 151 PRO HD1 . 6920 1 532 . 1 1 65 65 PRO HD3 H 1 3.81 0.05 . 2 . . . . 151 PRO HD2 . 6920 1 533 . 1 1 65 65 PRO CA C 13 62.24 0.15 . 1 . . . . 151 PRO CA . 6920 1 534 . 1 1 65 65 PRO CB C 13 32.36 0.15 . 1 . . . . 151 PRO CB . 6920 1 535 . 1 1 65 65 PRO CD C 13 50.7 0.15 . 1 . . . . 151 PRO CD . 6920 1 536 . 1 1 66 66 ASN H H 1 8.51 0.05 . 1 . . . . 152 ASN H . 6920 1 537 . 1 1 66 66 ASN HA H 1 4.68 0.05 . 1 . . . . 152 ASN HA . 6920 1 538 . 1 1 66 66 ASN HB2 H 1 2.92 0.05 . 2 . . . . 152 ASN HB2 . 6920 1 539 . 1 1 66 66 ASN HB3 H 1 2.65 0.05 . 2 . . . . 152 ASN HB3 . 6920 1 540 . 1 1 66 66 ASN HD21 H 1 7.6 0.05 . 2 . . . . 152 ASN HG2 . 6920 1 541 . 1 1 66 66 ASN HD22 H 1 6.83 0.05 . 2 . . . . 152 ASN HG3 . 6920 1 542 . 1 1 66 66 ASN CA C 13 52.72 0.15 . 1 . . . . 152 ASN CA . 6920 1 543 . 1 1 66 66 ASN CB C 13 36.62 0.15 . 1 . . . . 152 ASN CB . 6920 1 544 . 1 1 66 66 ASN CG C 13 111.6 0.15 . 1 . . . . 152 ASN CG . 6920 1 545 . 1 1 66 66 ASN N N 15 119.1 0.15 . 1 . . . . 152 ASN N . 6920 1 546 . 1 1 67 67 LYS H H 1 8.95 0.05 . 1 . . . . 153 LYS H . 6920 1 547 . 1 1 67 67 LYS HA H 1 4.71 0.05 . 1 . . . . 153 LYS HA . 6920 1 548 . 1 1 67 67 LYS HB2 H 1 1.75 0.05 . 2 . . . . 153 LYS HB2 . 6920 1 549 . 1 1 67 67 LYS HB3 H 1 2.02 0.05 . 2 . . . . 153 LYS HB3 . 6920 1 550 . 1 1 67 67 LYS HG2 H 1 1.69 0.05 . 1 . . . . 153 LYS HG . 6920 1 551 . 1 1 67 67 LYS HG3 H 1 1.69 0.05 . 1 . . . . 153 LYS HG . 6920 1 552 . 1 1 67 67 LYS CA C 13 54.56 0.15 . 1 . . . . 153 LYS CA . 6920 1 553 . 1 1 67 67 LYS CB C 13 35.09 0.15 . 1 . . . . 153 LYS CB . 6920 1 554 . 1 1 67 67 LYS N N 15 120.4 0.15 . 1 . . . . 153 LYS N . 6920 1 555 . 1 1 68 68 LYS H H 1 8.9 0.05 . 1 . . . . 154 LYS H . 6920 1 556 . 1 1 68 68 LYS HA H 1 4.77 0.05 . 1 . . . . 154 LYS HA . 6920 1 557 . 1 1 68 68 LYS HB2 H 1 2.01 0.05 . 2 . . . . 154 LYS HB2 . 6920 1 558 . 1 1 68 68 LYS HB3 H 1 2.36 0.05 . 2 . . . . 154 LYS HB3 . 6920 1 559 . 1 1 68 68 LYS HG2 H 1 1.78 0.05 . 1 . . . . 154 LYS HG . 6920 1 560 . 1 1 68 68 LYS HG3 H 1 1.78 0.05 . 1 . . . . 154 LYS HG . 6920 1 561 . 1 1 68 68 LYS CA C 13 56.84 0.15 . 1 . . . . 154 LYS CA . 6920 1 562 . 1 1 68 68 LYS CB C 13 31.61 0.15 . 1 . . . . 154 LYS CB . 6920 1 563 . 1 1 68 68 LYS N N 15 123.8 0.15 . 1 . . . . 154 LYS N . 6920 1 564 . 1 1 69 69 PRO HA H 1 4.66 0.05 . 1 . . . . 155 PRO HA . 6920 1 565 . 1 1 69 69 PRO HB2 H 1 2.45 0.05 . 2 . . . . 155 PRO HB2 . 6920 1 566 . 1 1 69 69 PRO HB3 H 1 2.18 0.05 . 2 . . . . 155 PRO HB3 . 6920 1 567 . 1 1 69 69 PRO HG2 H 1 1.74 0.05 . 1 . . . . 155 PRO HG . 6920 1 568 . 1 1 69 69 PRO HG3 H 1 1.74 0.05 . 1 . . . . 155 PRO HG . 6920 1 569 . 1 1 69 69 PRO HD2 H 1 3.58 0.05 . 2 . . . . 155 PRO HD2 . 6920 1 570 . 1 1 69 69 PRO HD3 H 1 3.67 0.05 . 2 . . . . 155 PRO HD3 . 6920 1 571 . 1 1 69 69 PRO CA C 13 63.38 0.15 . 1 . . . . 155 PRO CA . 6920 1 572 . 1 1 69 69 PRO CB C 13 34.66 0.15 . 1 . . . . 155 PRO CB . 6920 1 573 . 1 1 70 70 PHE H H 1 7.71 0.05 . 1 . . . . 156 PHE H . 6920 1 574 . 1 1 70 70 PHE HA H 1 3.34 0.05 . 1 . . . . 156 PHE HA . 6920 1 575 . 1 1 70 70 PHE HB2 H 1 2.84 0.05 . 1 . . . . 156 PHE HB2 . 6920 1 576 . 1 1 70 70 PHE HB3 H 1 3.36 0.05 . 1 . . . . 156 PHE HB3 . 6920 1 577 . 1 1 70 70 PHE HD1 H 1 6.79 0.05 . 1 . . . . 156 PHE HD . 6920 1 578 . 1 1 70 70 PHE HD2 H 1 6.79 0.05 . 1 . . . . 156 PHE HD . 6920 1 579 . 1 1 70 70 PHE CA C 13 61.31 0.15 . 1 . . . . 156 PHE CA . 6920 1 580 . 1 1 70 70 PHE CB C 13 37.89 0.15 . 1 . . . . 156 PHE CB . 6920 1 581 . 1 1 70 70 PHE N N 15 126.3 0.15 . 1 . . . . 156 PHE N . 6920 1 582 . 1 1 71 71 THR H H 1 7.76 0.05 . 1 . . . . 157 THR H . 6920 1 583 . 1 1 71 71 THR HA H 1 4.2 0.05 . 1 . . . . 157 THR HA . 6920 1 584 . 1 1 71 71 THR HB H 1 4.35 0.05 . 1 . . . . 157 THR HB . 6920 1 585 . 1 1 71 71 THR HG21 H 1 1.27 0.05 . 1 . . . . 157 THR HG2 . 6920 1 586 . 1 1 71 71 THR HG22 H 1 1.27 0.05 . 1 . . . . 157 THR HG2 . 6920 1 587 . 1 1 71 71 THR HG23 H 1 1.27 0.05 . 1 . . . . 157 THR HG2 . 6920 1 588 . 1 1 71 71 THR CA C 13 63.55 0.15 . 1 . . . . 157 THR CA . 6920 1 589 . 1 1 71 71 THR CB C 13 68.36 0.15 . 1 . . . . 157 THR CB . 6920 1 590 . 1 1 71 71 THR N N 15 108.7 0.15 . 1 . . . . 157 THR N . 6920 1 591 . 1 1 72 72 GLY H H 1 7.99 0.05 . 1 . . . . 158 GLY H . 6920 1 592 . 1 1 72 72 GLY HA2 H 1 4.51 0.05 . 2 . . . . 158 GLY HA2 . 6920 1 593 . 1 1 72 72 GLY HA3 H 1 3.9 0.05 . 2 . . . . 158 GLY HA3 . 6920 1 594 . 1 1 72 72 GLY CA C 13 45.23 0.15 . 1 . . . . 158 GLY CA . 6920 1 595 . 1 1 72 72 GLY N N 15 107.8 0.15 . 1 . . . . 158 GLY N . 6920 1 596 . 1 1 73 73 HIS H H 1 7.98 0.05 . 1 . . . . 159 HIS H . 6920 1 597 . 1 1 73 73 HIS HA H 1 4.63 0.05 . 1 . . . . 159 HIS HA . 6920 1 598 . 1 1 73 73 HIS HB2 H 1 3.58 0.05 . 2 . . . . 159 HIS HB2 . 6920 1 599 . 1 1 73 73 HIS HB3 H 1 4.31 0.05 . 2 . . . . 159 HIS HB3 . 6920 1 600 . 1 1 73 73 HIS CA C 13 57.7 0.15 . 1 . . . . 159 HIS CA . 6920 1 601 . 1 1 73 73 HIS CB C 13 30.92 0.15 . 1 . . . . 159 HIS CB . 6920 1 602 . 1 1 73 73 HIS N N 15 122.8 0.15 . 1 . . . . 159 HIS N . 6920 1 603 . 1 1 74 74 ARG H H 1 8.35 0.05 . 1 . . . . 160 ARG H . 6920 1 604 . 1 1 74 74 ARG HA H 1 4.36 0.05 . 1 . . . . 160 ARG HA . 6920 1 605 . 1 1 74 74 ARG HB2 H 1 1.82 0.05 . 2 . . . . 160 ARG HB2 . 6920 1 606 . 1 1 74 74 ARG HB3 H 1 1.78 0.05 . 2 . . . . 160 ARG HB3 . 6920 1 607 . 1 1 74 74 ARG HG2 H 1 1.71 0.05 . 1 . . . . 160 ARG HG . 6920 1 608 . 1 1 74 74 ARG HG3 H 1 1.71 0.05 . 1 . . . . 160 ARG HG . 6920 1 609 . 1 1 74 74 ARG HD2 H 1 3.2 0.05 . 1 . . . . 160 ARG HD . 6920 1 610 . 1 1 74 74 ARG HD3 H 1 3.2 0.05 . 1 . . . . 160 ARG HD . 6920 1 611 . 1 1 74 74 ARG CA C 13 56.19 0.15 . 1 . . . . 160 ARG CA . 6920 1 612 . 1 1 74 74 ARG CB C 13 30.73 0.15 . 1 . . . . 160 ARG CB . 6920 1 613 . 1 1 74 74 ARG N N 15 125.3 0.15 . 1 . . . . 160 ARG N . 6920 1 614 . 1 1 75 75 LEU H H 1 8.42 0.05 . 1 . . . . 161 LEU H . 6920 1 615 . 1 1 75 75 LEU HA H 1 5.43 0.05 . 1 . . . . 161 LEU HA . 6920 1 616 . 1 1 75 75 LEU HB2 H 1 1.12 0.05 . 2 . . . . 161 LEU HB2 . 6920 1 617 . 1 1 75 75 LEU HB3 H 1 1.95 0.05 . 2 . . . . 161 LEU HB3 . 6920 1 618 . 1 1 75 75 LEU HG H 1 1.9 0.05 . 1 . . . . 161 LEU HG . 6920 1 619 . 1 1 75 75 LEU HD11 H 1 0.94 0.05 . 1 . . . . 161 LEU HD1 . 6920 1 620 . 1 1 75 75 LEU HD12 H 1 0.94 0.05 . 1 . . . . 161 LEU HD1 . 6920 1 621 . 1 1 75 75 LEU HD13 H 1 0.94 0.05 . 1 . . . . 161 LEU HD1 . 6920 1 622 . 1 1 75 75 LEU HD21 H 1 0.78 0.05 . 1 . . . . 161 LEU HD2 . 6920 1 623 . 1 1 75 75 LEU HD22 H 1 0.78 0.05 . 1 . . . . 161 LEU HD2 . 6920 1 624 . 1 1 75 75 LEU HD23 H 1 0.78 0.05 . 1 . . . . 161 LEU HD2 . 6920 1 625 . 1 1 75 75 LEU CA C 13 53.4 0.15 . 1 . . . . 161 LEU CA . 6920 1 626 . 1 1 75 75 LEU CB C 13 43.96 0.15 . 1 . . . . 161 LEU CB . 6920 1 627 . 1 1 75 75 LEU CG C 13 26.6 0.15 . 1 . . . . 161 LEU CG . 6920 1 628 . 1 1 75 75 LEU CD1 C 13 26.7 0.15 . 1 . . . . 161 LEU CD1 . 6920 1 629 . 1 1 75 75 LEU CD2 C 13 23.4 0.15 . 1 . . . . 161 LEU CD2 . 6920 1 630 . 1 1 75 75 LEU N N 15 125.8 0.15 . 1 . . . . 161 LEU N . 6920 1 631 . 1 1 76 76 ILE H H 1 9.26 0.05 . 1 . . . . 162 ILE H . 6920 1 632 . 1 1 76 76 ILE HA H 1 4.91 0.05 . 1 . . . . 162 ILE HA . 6920 1 633 . 1 1 76 76 ILE HB H 1 2.11 0.05 . 1 . . . . 162 ILE HB . 6920 1 634 . 1 1 76 76 ILE HG12 H 1 1.08 0.05 . 2 . . . . 162 ILE HG11 . 6920 1 635 . 1 1 76 76 ILE HG13 H 1 1.29 0.05 . 2 . . . . 162 ILE HG12 . 6920 1 636 . 1 1 76 76 ILE HG21 H 1 0.92 0.05 . 1 . . . . 162 ILE HG3 . 6920 1 637 . 1 1 76 76 ILE HG22 H 1 0.92 0.05 . 1 . . . . 162 ILE HG3 . 6920 1 638 . 1 1 76 76 ILE HG23 H 1 0.92 0.05 . 1 . . . . 162 ILE HG3 . 6920 1 639 . 1 1 76 76 ILE HD11 H 1 0.83 0.05 . 1 . . . . 162 ILE HD . 6920 1 640 . 1 1 76 76 ILE HD12 H 1 0.83 0.05 . 1 . . . . 162 ILE HD . 6920 1 641 . 1 1 76 76 ILE HD13 H 1 0.83 0.05 . 1 . . . . 162 ILE HD . 6920 1 642 . 1 1 76 76 ILE CA C 13 59.32 0.15 . 1 . . . . 162 ILE CA . 6920 1 643 . 1 1 76 76 ILE CB C 13 42.6 0.15 . 1 . . . . 162 ILE CB . 6920 1 644 . 1 1 76 76 ILE CG1 C 13 25.8 0.15 . 1 . . . . 162 ILE CG . 6920 1 645 . 1 1 76 76 ILE CG2 C 13 17.5 0.15 . 1 . . . . 162 ILE CG2 . 6920 1 646 . 1 1 76 76 ILE CD1 C 13 13.8 0.15 . 1 . . . . 162 ILE CD . 6920 1 647 . 1 1 76 76 ILE N N 15 118.7 0.15 . 1 . . . . 162 ILE N . 6920 1 648 . 1 1 77 77 GLU H H 1 8.4 0.05 . 1 . . . . 163 GLU H . 6920 1 649 . 1 1 77 77 GLU HA H 1 4.64 0.05 . 1 . . . . 163 GLU HA . 6920 1 650 . 1 1 77 77 GLU HB2 H 1 2.13 0.05 . 2 . . . . 163 GLU HB2 . 6920 1 651 . 1 1 77 77 GLU HB3 H 1 2 0.05 . 2 . . . . 163 GLU HB3 . 6920 1 652 . 1 1 77 77 GLU HG2 H 1 2.43 0.05 . 1 . . . . 163 GLU HG . 6920 1 653 . 1 1 77 77 GLU HG3 H 1 2.43 0.05 . 1 . . . . 163 GLU HG . 6920 1 654 . 1 1 77 77 GLU CA C 13 54.86 0.15 . 1 . . . . 163 GLU CA . 6920 1 655 . 1 1 77 77 GLU CB C 13 29.15 0.15 . 1 . . . . 163 GLU CB . 6920 1 656 . 1 1 77 77 GLU N N 15 122.4 0.15 . 1 . . . . 163 GLU N . 6920 1 657 . 1 1 78 78 PRO HA H 1 4.18 0.05 . 1 . . . . 164 PRO HA . 6920 1 658 . 1 1 78 78 PRO HB2 H 1 1.9 0.05 . 2 . . . . 164 PRO HB2 . 6920 1 659 . 1 1 78 78 PRO HB3 H 1 1.75 0.05 . 2 . . . . 164 PRO HB3 . 6920 1 660 . 1 1 78 78 PRO HG2 H 1 1.46 0.05 . 2 . . . . 164 PRO HG2 . 6920 1 661 . 1 1 78 78 PRO HG3 H 1 1.74 0.05 . 2 . . . . 164 PRO HG3 . 6920 1 662 . 1 1 78 78 PRO HD2 H 1 3.54 0.05 . 1 . . . . 164 PRO HD2 . 6920 1 663 . 1 1 78 78 PRO HD3 H 1 3.54 0.05 . 1 . . . . 164 PRO HD3 . 6920 1 664 . 1 1 78 78 PRO CA C 13 64.1 0.15 . 1 . . . . 164 PRO CA . 6920 1 665 . 1 1 78 78 PRO CB C 13 31.95 0.15 . 1 . . . . 164 PRO CB . 6920 1 666 . 1 1 78 78 PRO CG C 13 27 0.15 . 1 . . . . 164 PRO CG . 6920 1 667 . 1 1 78 78 PRO CD C 13 50.25 0.15 . 1 . . . . 164 PRO CD . 6920 1 668 . 1 1 78 78 PRO N N 15 124 0.15 . 1 . . . . 164 PRO N . 6920 1 stop_ save_