data_19458 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19458 _Entry.Title ; CR1-2-3 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-08-27 _Entry.Accession_date 2013-08-27 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details 'Recombinant CR1 fragment, domains 2-3' _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 Hyon Park . J. . 19458 2 Mara Guariento . J. . 19458 3 Mateusz Maciejewski . . . 19458 4 Richard Hauart . . . 19458 5 Wai-Hong Tham . . . 19458 6 Alan Cowman . F. . 19458 7 Christoph Schmidt . Q. . 19458 8 Haydyn Martens . . . 19458 9 Kathryn Liszewski . M. . 19458 10 Dennis Hourcade . . . 19458 11 Paul Barlow . N. . 19458 12 John Atkinson . P. . 19458 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 1 'not applicable' 'not applicable' . 19458 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID CCP . 19458 CR1 . 19458 malaria . 19458 PfRh4 . 19458 'Plasmodium falciparum' . 19458 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19458 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 152 19458 '15N chemical shifts' 67 19458 '1H chemical shifts' 267 19458 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 . . 2014-02-03 2013-08-27 update BMRB 'update entry citation' 19458 1 . . 2013-11-11 2013-08-27 original author 'original release' 19458 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19459 'Recombinant CR1 fragment, domains 1-2' 19458 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19458 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24214979 _Citation.Full_citation . _Citation.Title 'Using Mutagenesis and Structural Biology to Map the Binding Site for the Plasmodium falciparum Merozoite Protein PfRh4 on the Human Immune Adherence Receptor.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 289 _Citation.Journal_issue 1 _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 450 _Citation.Page_last 463 _Citation.Year 2014 _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 'Hyon Ju' Park . . . 19458 1 2 Mara Guariento . . . 19458 1 3 Mateusz Maciejewski . . . 19458 1 4 Richard Hauhart . . . 19458 1 5 Wai-Hong Tham . . . 19458 1 6 Alan Cowman . F. . 19458 1 7 Christoph Schmidt . Q. . 19458 1 8 Haydyn Mertens . D.T. . 19458 1 9 'M. Kathryn' Liszewski . . . 19458 1 10 Dennis Hourcade . E. . 19458 1 11 Paul Barlow . N. . 19458 1 12 John Atkinson . P. . 19458 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19458 _Assembly.ID 1 _Assembly.Name 'Recombinant CR1 fragment, domains 2-3' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 'Recombinant CR1 fragment, domains 2-3' 1 $CR1_2-3 A . yes native no no . . . 19458 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CR1_2-3 _Entity.Sf_category entity _Entity.Sf_framecode CR1_2-3 _Entity.Entry_ID 19458 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CR1_2-3 _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 ; EAEAKSCRNPPDPVNGMVHV IKGIQFGSQIKYSCTKGYRL IGSSSATCIISGDTVIWDTE TPICDRIPCGLPPTITNGDF ISTNRENFHYGSVVTYRCNP GSGGRKVFELVGEPSIYCTS NDDQVGIWSGPAPQCI ; _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 136 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14275.196 _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 2MCY . "Cr1 Sushi Domains 2 And 3" . . . . . 100.00 136 100.00 100.00 1.87e-93 . . . . 19458 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 57 GLU . 19458 1 2 58 ALA . 19458 1 3 59 GLU . 19458 1 4 60 ALA . 19458 1 5 61 LYS . 19458 1 6 62 SER . 19458 1 7 63 CYS . 19458 1 8 64 ARG . 19458 1 9 65 ASN . 19458 1 10 66 PRO . 19458 1 11 67 PRO . 19458 1 12 68 ASP . 19458 1 13 69 PRO . 19458 1 14 70 VAL . 19458 1 15 71 ASN . 19458 1 16 72 GLY . 19458 1 17 73 MET . 19458 1 18 74 VAL . 19458 1 19 75 HIS . 19458 1 20 76 VAL . 19458 1 21 77 ILE . 19458 1 22 78 LYS . 19458 1 23 79 GLY . 19458 1 24 80 ILE . 19458 1 25 81 GLN . 19458 1 26 82 PHE . 19458 1 27 83 GLY . 19458 1 28 84 SER . 19458 1 29 85 GLN . 19458 1 30 86 ILE . 19458 1 31 87 LYS . 19458 1 32 88 TYR . 19458 1 33 89 SER . 19458 1 34 90 CYS . 19458 1 35 91 THR . 19458 1 36 92 LYS . 19458 1 37 93 GLY . 19458 1 38 94 TYR . 19458 1 39 95 ARG . 19458 1 40 96 LEU . 19458 1 41 97 ILE . 19458 1 42 98 GLY . 19458 1 43 99 SER . 19458 1 44 100 SER . 19458 1 45 101 SER . 19458 1 46 102 ALA . 19458 1 47 103 THR . 19458 1 48 104 CYS . 19458 1 49 105 ILE . 19458 1 50 106 ILE . 19458 1 51 107 SER . 19458 1 52 108 GLY . 19458 1 53 109 ASP . 19458 1 54 110 THR . 19458 1 55 111 VAL . 19458 1 56 112 ILE . 19458 1 57 113 TRP . 19458 1 58 114 ASP . 19458 1 59 115 THR . 19458 1 60 116 GLU . 19458 1 61 117 THR . 19458 1 62 118 PRO . 19458 1 63 119 ILE . 19458 1 64 120 CYS . 19458 1 65 121 ASP . 19458 1 66 122 ARG . 19458 1 67 123 ILE . 19458 1 68 124 PRO . 19458 1 69 125 CYS . 19458 1 70 126 GLY . 19458 1 71 127 LEU . 19458 1 72 128 PRO . 19458 1 73 129 PRO . 19458 1 74 130 THR . 19458 1 75 131 ILE . 19458 1 76 132 THR . 19458 1 77 133 ASN . 19458 1 78 134 GLY . 19458 1 79 135 ASP . 19458 1 80 136 PHE . 19458 1 81 137 ILE . 19458 1 82 138 SER . 19458 1 83 139 THR . 19458 1 84 140 ASN . 19458 1 85 141 ARG . 19458 1 86 142 GLU . 19458 1 87 143 ASN . 19458 1 88 144 PHE . 19458 1 89 145 HIS . 19458 1 90 146 TYR . 19458 1 91 147 GLY . 19458 1 92 148 SER . 19458 1 93 149 VAL . 19458 1 94 150 VAL . 19458 1 95 151 THR . 19458 1 96 152 TYR . 19458 1 97 153 ARG . 19458 1 98 154 CYS . 19458 1 99 155 ASN . 19458 1 100 156 PRO . 19458 1 101 157 GLY . 19458 1 102 158 SER . 19458 1 103 159 GLY . 19458 1 104 160 GLY . 19458 1 105 161 ARG . 19458 1 106 162 LYS . 19458 1 107 163 VAL . 19458 1 108 164 PHE . 19458 1 109 165 GLU . 19458 1 110 166 LEU . 19458 1 111 167 VAL . 19458 1 112 168 GLY . 19458 1 113 169 GLU . 19458 1 114 170 PRO . 19458 1 115 171 SER . 19458 1 116 172 ILE . 19458 1 117 173 TYR . 19458 1 118 174 CYS . 19458 1 119 175 THR . 19458 1 120 176 SER . 19458 1 121 177 ASN . 19458 1 122 178 ASP . 19458 1 123 179 ASP . 19458 1 124 180 GLN . 19458 1 125 181 VAL . 19458 1 126 182 GLY . 19458 1 127 183 ILE . 19458 1 128 184 TRP . 19458 1 129 185 SER . 19458 1 130 186 GLY . 19458 1 131 187 PRO . 19458 1 132 188 ALA . 19458 1 133 189 PRO . 19458 1 134 190 GLN . 19458 1 135 191 CYS . 19458 1 136 192 ILE . 19458 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 . GLU 1 1 19458 1 . ALA 2 2 19458 1 . GLU 3 3 19458 1 . ALA 4 4 19458 1 . LYS 5 5 19458 1 . SER 6 6 19458 1 . CYS 7 7 19458 1 . ARG 8 8 19458 1 . ASN 9 9 19458 1 . PRO 10 10 19458 1 . PRO 11 11 19458 1 . ASP 12 12 19458 1 . PRO 13 13 19458 1 . VAL 14 14 19458 1 . ASN 15 15 19458 1 . GLY 16 16 19458 1 . MET 17 17 19458 1 . VAL 18 18 19458 1 . HIS 19 19 19458 1 . VAL 20 20 19458 1 . ILE 21 21 19458 1 . LYS 22 22 19458 1 . GLY 23 23 19458 1 . ILE 24 24 19458 1 . GLN 25 25 19458 1 . PHE 26 26 19458 1 . GLY 27 27 19458 1 . SER 28 28 19458 1 . GLN 29 29 19458 1 . ILE 30 30 19458 1 . LYS 31 31 19458 1 . TYR 32 32 19458 1 . SER 33 33 19458 1 . CYS 34 34 19458 1 . THR 35 35 19458 1 . LYS 36 36 19458 1 . GLY 37 37 19458 1 . TYR 38 38 19458 1 . ARG 39 39 19458 1 . LEU 40 40 19458 1 . ILE 41 41 19458 1 . GLY 42 42 19458 1 . SER 43 43 19458 1 . SER 44 44 19458 1 . SER 45 45 19458 1 . ALA 46 46 19458 1 . THR 47 47 19458 1 . CYS 48 48 19458 1 . ILE 49 49 19458 1 . ILE 50 50 19458 1 . SER 51 51 19458 1 . GLY 52 52 19458 1 . ASP 53 53 19458 1 . THR 54 54 19458 1 . VAL 55 55 19458 1 . ILE 56 56 19458 1 . TRP 57 57 19458 1 . ASP 58 58 19458 1 . THR 59 59 19458 1 . GLU 60 60 19458 1 . THR 61 61 19458 1 . PRO 62 62 19458 1 . ILE 63 63 19458 1 . CYS 64 64 19458 1 . ASP 65 65 19458 1 . ARG 66 66 19458 1 . ILE 67 67 19458 1 . PRO 68 68 19458 1 . CYS 69 69 19458 1 . GLY 70 70 19458 1 . LEU 71 71 19458 1 . PRO 72 72 19458 1 . PRO 73 73 19458 1 . THR 74 74 19458 1 . ILE 75 75 19458 1 . THR 76 76 19458 1 . ASN 77 77 19458 1 . GLY 78 78 19458 1 . ASP 79 79 19458 1 . PHE 80 80 19458 1 . ILE 81 81 19458 1 . SER 82 82 19458 1 . THR 83 83 19458 1 . ASN 84 84 19458 1 . ARG 85 85 19458 1 . GLU 86 86 19458 1 . ASN 87 87 19458 1 . PHE 88 88 19458 1 . HIS 89 89 19458 1 . TYR 90 90 19458 1 . GLY 91 91 19458 1 . SER 92 92 19458 1 . VAL 93 93 19458 1 . VAL 94 94 19458 1 . THR 95 95 19458 1 . TYR 96 96 19458 1 . ARG 97 97 19458 1 . CYS 98 98 19458 1 . ASN 99 99 19458 1 . PRO 100 100 19458 1 . GLY 101 101 19458 1 . SER 102 102 19458 1 . GLY 103 103 19458 1 . GLY 104 104 19458 1 . ARG 105 105 19458 1 . LYS 106 106 19458 1 . VAL 107 107 19458 1 . PHE 108 108 19458 1 . GLU 109 109 19458 1 . LEU 110 110 19458 1 . VAL 111 111 19458 1 . GLY 112 112 19458 1 . GLU 113 113 19458 1 . PRO 114 114 19458 1 . SER 115 115 19458 1 . ILE 116 116 19458 1 . TYR 117 117 19458 1 . CYS 118 118 19458 1 . THR 119 119 19458 1 . SER 120 120 19458 1 . ASN 121 121 19458 1 . ASP 122 122 19458 1 . ASP 123 123 19458 1 . GLN 124 124 19458 1 . VAL 125 125 19458 1 . GLY 126 126 19458 1 . ILE 127 127 19458 1 . TRP 128 128 19458 1 . SER 129 129 19458 1 . GLY 130 130 19458 1 . PRO 131 131 19458 1 . ALA 132 132 19458 1 . PRO 133 133 19458 1 . GLN 134 134 19458 1 . CYS 135 135 19458 1 . ILE 136 136 19458 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 19458 _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 $CR1_2-3 . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 19458 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 19458 _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 $CR1_2-3 . 'recombinant technology' 'Pichia pastoris' . . . Pichia pastoris . . . . . . . . . . . . . . . . pPICZaB . . . . . . 19458 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19458 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'CR1 2-3' '[U-99% 13C; U-99% 15N]' . . 1 $CR1_2-3 . . 0.8 . . mM . . . . 19458 1 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 19458 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19458 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19458 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19458 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'CR1 2-3' '[U-99% 13C; U-99% 15N]' . . 1 $CR1_2-3 . . 0.8 . . mM . . . . 19458 2 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 19458 2 3 D2O 'natural abundance' . . . . . . 100 . . % . . . . 19458 2 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 19458 _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 6.0 . pH 19458 1 pressure 1 . atm 19458 1 temperature 310 . K 19458 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19458 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19458 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19458 1 stop_ save_ save_AZARA _Software.Sf_category software _Software.Sf_framecode AZARA _Software.Entry_ID 19458 _Software.ID 2 _Software.Name AZARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Boucher . . 19458 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19458 2 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 19458 _Software.ID 3 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 19458 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19458 3 'structure solution' 19458 3 stop_ save_ save_CCPNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CCPNmr_Analysis _Software.Entry_ID 19458 _Software.ID 4 _Software.Name ANALYSIS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 19458 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19458 4 'peak picking' 19458 4 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 19458 _Software.ID 5 _Software.Name ProcheckNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 19458 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Quality assessment' 19458 5 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 19458 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19458 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 19458 _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 . 600 . . . 19458 1 2 spectrometer_2 Bruker Avance . 800 . . . 19458 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 19458 _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 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19458 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19458 1 3 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19458 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19458 1 5 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19458 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19458 1 7 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19458 1 8 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19458 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19458 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 19458 _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 0.00 na indirect 0.251449530 . . . . . . . . . 19458 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19458 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19458 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 19458 _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 '3D CBCA(CO)NH' . . . 19458 1 2 '3D HNCACB' . . . 19458 1 3 '3D HBHA(CO)NH' . . . 19458 1 4 '3D HNCO' . . . 19458 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 58 58 ASP HA H 1 4.2805 . . . . . . A 114 ASP HA . 19458 1 2 . 1 1 58 58 ASP HB2 H 1 1.3210 . . . . . . A 114 ASP HB2 . 19458 1 3 . 1 1 58 58 ASP HB3 H 1 1.3210 . . . . . . A 114 ASP HB3 . 19458 1 4 . 1 1 58 58 ASP CA C 13 52.3800 . . . . . . A 114 ASP CA . 19458 1 5 . 1 1 58 58 ASP CB C 13 19.1000 . . . . . . A 114 ASP CB . 19458 1 6 . 1 1 59 59 THR HA H 1 4.1325 . . . . . . A 115 THR HA . 19458 1 7 . 1 1 59 59 THR CA C 13 57.1245 . . . . . . A 115 THR CA . 19458 1 8 . 1 1 60 60 GLU H H 1 8.1727 . . . . . . A 116 GLU H . 19458 1 9 . 1 1 60 60 GLU HA H 1 4.3237 . . . . . . A 116 GLU HA . 19458 1 10 . 1 1 60 60 GLU HB2 H 1 1.3504 . . . . . . A 116 GLU HB2 . 19458 1 11 . 1 1 60 60 GLU HB3 H 1 1.3504 . . . . . . A 116 GLU HB3 . 19458 1 12 . 1 1 60 60 GLU CA C 13 52.1610 . . . . . . A 116 GLU CA . 19458 1 13 . 1 1 60 60 GLU CB C 13 19.4125 . . . . . . A 116 GLU CB . 19458 1 14 . 1 1 60 60 GLU N N 15 125.2150 . . . . . . A 116 GLU N . 19458 1 15 . 1 1 61 61 THR H H 1 8.2385 . . . . . . A 117 THR H . 19458 1 16 . 1 1 61 61 THR HA H 1 4.3071 . . . . . . A 117 THR HA . 19458 1 17 . 1 1 61 61 THR HG1 H 1 1.3543 . . . . . . A 117 THR HG1 . 19458 1 18 . 1 1 61 61 THR CA C 13 55.8360 . . . . . . A 117 THR CA . 19458 1 19 . 1 1 61 61 THR CB C 13 34.0412 . . . . . . A 117 THR CB . 19458 1 20 . 1 1 61 61 THR N N 15 121.3460 . . . . . . A 117 THR N . 19458 1 21 . 1 1 62 62 PRO HA H 1 4.7141 . . . . . . A 118 PRO HA . 19458 1 22 . 1 1 62 62 PRO HB2 H 1 3.7225 . . . . . . A 118 PRO HB2 . 19458 1 23 . 1 1 62 62 PRO HB3 H 1 3.5876 . . . . . . A 118 PRO HB3 . 19458 1 24 . 1 1 62 62 PRO CA C 13 57.7650 . . . . . . A 118 PRO CA . 19458 1 25 . 1 1 62 62 PRO CB C 13 65.4160 . . . . . . A 118 PRO CB . 19458 1 26 . 1 1 62 62 PRO N N 15 115.0620 . . . . . . A 118 PRO N . 19458 1 27 . 1 1 63 63 ILE H H 1 8.2370 . . . . . . A 119 ILE H . 19458 1 28 . 1 1 63 63 ILE HA H 1 4.0883 . . . . . . A 119 ILE HA . 19458 1 29 . 1 1 63 63 ILE HB H 1 2.1799 . . . . . . A 119 ILE HB . 19458 1 30 . 1 1 63 63 ILE CA C 13 60.6682 . . . . . . A 119 ILE CA . 19458 1 31 . 1 1 63 63 ILE CB C 13 40.8440 . . . . . . A 119 ILE CB . 19458 1 32 . 1 1 63 63 ILE N N 15 122.0733 . . . . . . A 119 ILE N . 19458 1 33 . 1 1 64 64 CYS H H 1 8.3883 . . . . . . A 120 CYS H . 19458 1 34 . 1 1 64 64 CYS HA H 1 4.1915 . . . . . . A 120 CYS HA . 19458 1 35 . 1 1 64 64 CYS HB2 H 1 1.8808 . . . . . . A 120 CYS HB2 . 19458 1 36 . 1 1 64 64 CYS HB3 H 1 1.8807 . . . . . . A 120 CYS HB3 . 19458 1 37 . 1 1 64 64 CYS HG H 1 1.7000 . . . . . . A 120 CYS HG . 19458 1 38 . 1 1 64 64 CYS CA C 13 55.7940 . . . . . . A 120 CYS CA . 19458 1 39 . 1 1 64 64 CYS CB C 13 30.6736 . . . . . . A 120 CYS CB . 19458 1 40 . 1 1 64 64 CYS N N 15 118.2019 . . . . . . A 120 CYS N . 19458 1 41 . 1 1 65 65 ASP H H 1 8.5671 . . . . . . A 121 ASP H . 19458 1 42 . 1 1 65 65 ASP HA H 1 4.6892 . . . . . . A 121 ASP HA . 19458 1 43 . 1 1 65 65 ASP HB2 H 1 2.6676 . . . . . . A 121 ASP HB2 . 19458 1 44 . 1 1 65 65 ASP HB3 H 1 2.6652 . . . . . . A 121 ASP HB3 . 19458 1 45 . 1 1 65 65 ASP CA C 13 52.3460 . . . . . . A 121 ASP CA . 19458 1 46 . 1 1 65 65 ASP CB C 13 38.1085 . . . . . . A 121 ASP CB . 19458 1 47 . 1 1 65 65 ASP N N 15 122.0760 . . . . . . A 121 ASP N . 19458 1 48 . 1 1 66 66 ARG HG2 H 1 1.8705 . . . . . . A 122 ARG HG2 . 19458 1 49 . 1 1 66 66 ARG HG3 H 1 1.3573 . . . . . . A 122 ARG HG3 . 19458 1 50 . 1 1 66 66 ARG HD2 H 1 4.0486 . . . . . . A 122 ARG HD2 . 19458 1 51 . 1 1 66 66 ARG HD3 H 1 3.8286 . . . . . . A 122 ARG HD3 . 19458 1 52 . 1 1 66 66 ARG CG C 13 27.2590 . . . . . . A 122 ARG CG . 19458 1 53 . 1 1 66 66 ARG CD C 13 50.3910 . . . . . . A 122 ARG CD . 19458 1 54 . 1 1 67 67 ILE HA H 1 4.4478 . . . . . . A 123 ILE HA . 19458 1 55 . 1 1 67 67 ILE CA C 13 61.8590 . . . . . . A 123 ILE CA . 19458 1 56 . 1 1 67 67 ILE CB C 13 32.6670 . . . . . . A 123 ILE CB . 19458 1 57 . 1 1 68 68 PRO HA H 1 4.6570 . . . . . . A 124 PRO HA . 19458 1 58 . 1 1 68 68 PRO HB2 H 1 2.6440 . . . . . . A 124 PRO HB2 . 19458 1 59 . 1 1 68 68 PRO HB3 H 1 2.6440 . . . . . . A 124 PRO HB3 . 19458 1 60 . 1 1 68 68 PRO CA C 13 53.0795 . . . . . . A 124 PRO CA . 19458 1 61 . 1 1 68 68 PRO N N 15 118.4330 . . . . . . A 124 PRO N . 19458 1 62 . 1 1 69 69 CYS HA H 1 4.2453 . . . . . . A 125 CYS HA . 19458 1 63 . 1 1 69 69 CYS HB2 H 1 2.0863 . . . . . . A 125 CYS HB2 . 19458 1 64 . 1 1 69 69 CYS HB3 H 1 1.2632 . . . . . . A 125 CYS HB3 . 19458 1 65 . 1 1 69 69 CYS CA C 13 61.9342 . . . . . . A 125 CYS CA . 19458 1 66 . 1 1 69 69 CYS CB C 13 31.2330 . . . . . . A 125 CYS CB . 19458 1 67 . 1 1 70 70 GLY H H 1 8.0967 . . . . . . A 126 GLY H . 19458 1 68 . 1 1 70 70 GLY CA C 13 64.6663 . . . . . . A 126 GLY CA . 19458 1 69 . 1 1 70 70 GLY N N 15 125.5886 . . . . . . A 126 GLY N . 19458 1 70 . 1 1 71 71 LEU H H 1 8.8470 . . . . . . A 127 LEU H . 19458 1 71 . 1 1 71 71 LEU HA H 1 3.9289 . . . . . . A 127 LEU HA . 19458 1 72 . 1 1 71 71 LEU HB2 H 1 2.4447 . . . . . . A 127 LEU HB2 . 19458 1 73 . 1 1 71 71 LEU HB3 H 1 1.3214 . . . . . . A 127 LEU HB3 . 19458 1 74 . 1 1 71 71 LEU HD11 H 1 7.3920 . . . . . . A 127 LEU HD11 . 19458 1 75 . 1 1 71 71 LEU HD12 H 1 7.3920 . . . . . . A 127 LEU HD12 . 19458 1 76 . 1 1 71 71 LEU HD13 H 1 7.3920 . . . . . . A 127 LEU HD13 . 19458 1 77 . 1 1 71 71 LEU HD21 H 1 6.7920 . . . . . . A 127 LEU HD21 . 19458 1 78 . 1 1 71 71 LEU HD22 H 1 6.7920 . . . . . . A 127 LEU HD22 . 19458 1 79 . 1 1 71 71 LEU HD23 H 1 6.7920 . . . . . . A 127 LEU HD23 . 19458 1 80 . 1 1 71 71 LEU CA C 13 55.7273 . . . . . . A 127 LEU CA . 19458 1 81 . 1 1 71 71 LEU CB C 13 36.6690 . . . . . . A 127 LEU CB . 19458 1 82 . 1 1 71 71 LEU N N 15 119.4068 . . . . . . A 127 LEU N . 19458 1 83 . 1 1 72 72 PRO CA C 13 46.8942 . . . . . . A 128 PRO CA . 19458 1 84 . 1 1 72 72 PRO N N 15 104.6408 . . . . . . A 128 PRO N . 19458 1 85 . 1 1 73 73 PRO HA H 1 4.9514 . . . . . . A 129 PRO HA . 19458 1 86 . 1 1 73 73 PRO HB2 H 1 1.7385 . . . . . . A 129 PRO HB2 . 19458 1 87 . 1 1 73 73 PRO HB3 H 1 1.7385 . . . . . . A 129 PRO HB3 . 19458 1 88 . 1 1 73 73 PRO HG2 H 1 2.7104 . . . . . . A 129 PRO HG2 . 19458 1 89 . 1 1 73 73 PRO HG3 H 1 2.5963 . . . . . . A 129 PRO HG3 . 19458 1 90 . 1 1 73 73 PRO CA C 13 54.4120 . . . . . . A 129 PRO CA . 19458 1 91 . 1 1 73 73 PRO CB C 13 30.5693 . . . . . . A 129 PRO CB . 19458 1 92 . 1 1 73 73 PRO CG C 13 51.6610 . . . . . . A 129 PRO CG . 19458 1 93 . 1 1 73 73 PRO N N 15 116.2587 . . . . . . A 129 PRO N . 19458 1 94 . 1 1 74 74 THR H H 1 8.8315 . . . . . . A 130 THR H . 19458 1 95 . 1 1 74 74 THR HA H 1 4.5701 . . . . . . A 130 THR HA . 19458 1 96 . 1 1 74 74 THR HB H 1 1.7848 . . . . . . A 130 THR HB . 19458 1 97 . 1 1 74 74 THR HG1 H 1 0.2650 . . . . . . A 130 THR HG1 . 19458 1 98 . 1 1 74 74 THR HG21 H 1 0.6651 . . . . . . A 130 THR HG21 . 19458 1 99 . 1 1 74 74 THR HG22 H 1 0.6651 . . . . . . A 130 THR HG22 . 19458 1 100 . 1 1 74 74 THR HG23 H 1 0.6651 . . . . . . A 130 THR HG23 . 19458 1 101 . 1 1 74 74 THR CA C 13 59.2390 . . . . . . A 130 THR CA . 19458 1 102 . 1 1 74 74 THR CB C 13 34.7190 . . . . . . A 130 THR CB . 19458 1 103 . 1 1 74 74 THR CG2 C 13 18.4766 . . . . . . A 130 THR CG2 . 19458 1 104 . 1 1 74 74 THR N N 15 122.8823 . . . . . . A 130 THR N . 19458 1 105 . 1 1 75 75 ILE H H 1 8.9420 . . . . . . A 131 ILE H . 19458 1 106 . 1 1 75 75 ILE HA H 1 4.5680 . . . . . . A 131 ILE HA . 19458 1 107 . 1 1 75 75 ILE HB H 1 2.7410 . . . . . . A 131 ILE HB . 19458 1 108 . 1 1 76 76 THR H H 1 8.6768 . . . . . . A 132 THR H . 19458 1 109 . 1 1 76 76 THR HA H 1 4.0894 . . . . . . A 132 THR HA . 19458 1 110 . 1 1 76 76 THR HB H 1 2.0076 . . . . . . A 132 THR HB . 19458 1 111 . 1 1 76 76 THR HG1 H 1 0.7701 . . . . . . A 132 THR HG1 . 19458 1 112 . 1 1 76 76 THR HG21 H 1 0.8340 . . . . . . A 132 THR HG21 . 19458 1 113 . 1 1 76 76 THR HG22 H 1 0.8340 . . . . . . A 132 THR HG22 . 19458 1 114 . 1 1 76 76 THR HG23 H 1 0.8340 . . . . . . A 132 THR HG23 . 19458 1 115 . 1 1 76 76 THR CA C 13 62.4644 . . . . . . A 132 THR CA . 19458 1 116 . 1 1 76 76 THR CB C 13 31.3164 . . . . . . A 132 THR CB . 19458 1 117 . 1 1 76 76 THR CG2 C 13 21.7440 . . . . . . A 132 THR CG2 . 19458 1 118 . 1 1 76 76 THR N N 15 126.9184 . . . . . . A 132 THR N . 19458 1 119 . 1 1 77 77 ASN H H 1 7.7891 . . . . . . A 133 ASN H . 19458 1 120 . 1 1 77 77 ASN HA H 1 4.0579 . . . . . . A 133 ASN HA . 19458 1 121 . 1 1 77 77 ASN CA C 13 62.6032 . . . . . . A 133 ASN CA . 19458 1 122 . 1 1 77 77 ASN CB C 13 38.8340 . . . . . . A 133 ASN CB . 19458 1 123 . 1 1 77 77 ASN N N 15 126.6848 . . . . . . A 133 ASN N . 19458 1 124 . 1 1 78 78 GLY H H 1 9.2913 . . . . . . A 134 GLY H . 19458 1 125 . 1 1 78 78 GLY CA C 13 55.8281 . . . . . . A 134 GLY CA . 19458 1 126 . 1 1 78 78 GLY N N 15 123.2827 . . . . . . A 134 GLY N . 19458 1 127 . 1 1 79 79 ASP CA C 13 44.8855 . . . . . . A 135 ASP CA . 19458 1 128 . 1 1 80 80 PHE H H 1 8.0194 . . . . . . A 136 PHE H . 19458 1 129 . 1 1 80 80 PHE HA H 1 4.8644 . . . . . . A 136 PHE HA . 19458 1 130 . 1 1 80 80 PHE HD1 H 1 0.9026 . . . . . . A 136 PHE HD1 . 19458 1 131 . 1 1 80 80 PHE HD2 H 1 0.9026 . . . . . . A 136 PHE HD2 . 19458 1 132 . 1 1 80 80 PHE CA C 13 60.6030 . . . . . . A 136 PHE CA . 19458 1 133 . 1 1 80 80 PHE CB C 13 38.3280 . . . . . . A 136 PHE CB . 19458 1 134 . 1 1 80 80 PHE CD1 C 13 13.6491 . . . . . . A 136 PHE CD1 . 19458 1 135 . 1 1 80 80 PHE CD2 C 13 13.6491 . . . . . . A 136 PHE CD2 . 19458 1 136 . 1 1 80 80 PHE N N 15 109.9600 . . . . . . A 136 PHE N . 19458 1 137 . 1 1 81 81 ILE H H 1 7.7231 . . . . . . A 137 ILE H . 19458 1 138 . 1 1 81 81 ILE HA H 1 4.5241 . . . . . . A 137 ILE HA . 19458 1 139 . 1 1 81 81 ILE CA C 13 55.7820 . . . . . . A 137 ILE CA . 19458 1 140 . 1 1 81 81 ILE CB C 13 29.9300 . . . . . . A 137 ILE CB . 19458 1 141 . 1 1 81 81 ILE N N 15 117.7010 . . . . . . A 137 ILE N . 19458 1 142 . 1 1 82 82 SER H H 1 8.2881 . . . . . . A 138 SER H . 19458 1 143 . 1 1 82 82 SER HA H 1 3.8381 . . . . . . A 138 SER HA . 19458 1 144 . 1 1 82 82 SER HB2 H 1 2.9743 . . . . . . A 138 SER HB2 . 19458 1 145 . 1 1 82 82 SER HB3 H 1 2.8147 . . . . . . A 138 SER HB3 . 19458 1 146 . 1 1 82 82 SER CA C 13 59.2924 . . . . . . A 138 SER CA . 19458 1 147 . 1 1 82 82 SER CB C 13 39.4321 . . . . . . A 138 SER CB . 19458 1 148 . 1 1 82 82 SER N N 15 120.3660 . . . . . . A 138 SER N . 19458 1 149 . 1 1 83 83 THR H H 1 8.6452 . . . . . . A 139 THR H . 19458 1 150 . 1 1 83 83 THR CA C 13 44.3944 . . . . . . A 139 THR CA . 19458 1 151 . 1 1 83 83 THR N N 15 117.4820 . . . . . . A 139 THR N . 19458 1 152 . 1 1 84 84 ASN H H 1 8.3112 . . . . . . A 140 ASN H . 19458 1 153 . 1 1 84 84 ASN HA H 1 4.3402 . . . . . . A 140 ASN HA . 19458 1 154 . 1 1 84 84 ASN HB2 H 1 3.8661 . . . . . . A 140 ASN HB2 . 19458 1 155 . 1 1 84 84 ASN HB3 H 1 3.8544 . . . . . . A 140 ASN HB3 . 19458 1 156 . 1 1 84 84 ASN CA C 13 60.5560 . . . . . . A 140 ASN CA . 19458 1 157 . 1 1 84 84 ASN CB C 13 64.0532 . . . . . . A 140 ASN CB . 19458 1 158 . 1 1 84 84 ASN N N 15 117.5080 . . . . . . A 140 ASN N . 19458 1 159 . 1 1 85 85 ARG H H 1 8.0853 . . . . . . A 141 ARG H . 19458 1 160 . 1 1 85 85 ARG HA H 1 5.7885 . . . . . . A 141 ARG HA . 19458 1 161 . 1 1 85 85 ARG HB2 H 1 2.0269 . . . . . . A 141 ARG HB2 . 19458 1 162 . 1 1 85 85 ARG HB3 H 1 1.9461 . . . . . . A 141 ARG HB3 . 19458 1 163 . 1 1 85 85 ARG HG2 H 1 2.3707 . . . . . . A 141 ARG HG2 . 19458 1 164 . 1 1 85 85 ARG HG3 H 1 2.3708 . . . . . . A 141 ARG HG3 . 19458 1 165 . 1 1 85 85 ARG CA C 13 54.3245 . . . . . . A 141 ARG CA . 19458 1 166 . 1 1 85 85 ARG CB C 13 32.7215 . . . . . . A 141 ARG CB . 19458 1 167 . 1 1 85 85 ARG CG C 13 34.7220 . . . . . . A 141 ARG CG . 19458 1 168 . 1 1 85 85 ARG N N 15 119.6640 . . . . . . A 141 ARG N . 19458 1 169 . 1 1 86 86 GLU H H 1 9.0325 . . . . . . A 142 GLU H . 19458 1 170 . 1 1 86 86 GLU HA H 1 4.7968 . . . . . . A 142 GLU HA . 19458 1 171 . 1 1 86 86 GLU HG2 H 1 0.6414 . . . . . . A 142 GLU HG2 . 19458 1 172 . 1 1 86 86 GLU HG3 H 1 0.4853 . . . . . . A 142 GLU HG3 . 19458 1 173 . 1 1 86 86 GLU CA C 13 59.2570 . . . . . . A 142 GLU CA . 19458 1 174 . 1 1 86 86 GLU CB C 13 40.8780 . . . . . . A 142 GLU CB . 19458 1 175 . 1 1 86 86 GLU N N 15 119.0140 . . . . . . A 142 GLU N . 19458 1 176 . 1 1 87 87 ASN H H 1 7.7355 . . . . . . A 143 ASN H . 19458 1 177 . 1 1 87 87 ASN HA H 1 5.1779 . . . . . . A 143 ASN HA . 19458 1 178 . 1 1 87 87 ASN HB2 H 1 1.8788 . . . . . . A 143 ASN HB2 . 19458 1 179 . 1 1 87 87 ASN HB3 H 1 1.5191 . . . . . . A 143 ASN HB3 . 19458 1 180 . 1 1 87 87 ASN HD21 H 1 1.6159 . . . . . . A 143 ASN HD21 . 19458 1 181 . 1 1 87 87 ASN HD22 H 1 1.6159 . . . . . . A 143 ASN HD22 . 19458 1 182 . 1 1 87 87 ASN CA C 13 53.7548 . . . . . . A 143 ASN CA . 19458 1 183 . 1 1 87 87 ASN CB C 13 36.7566 . . . . . . A 143 ASN CB . 19458 1 184 . 1 1 87 87 ASN CG C 13 25.1390 . . . . . . A 143 ASN CG . 19458 1 185 . 1 1 87 87 ASN N N 15 117.9627 . . . . . . A 143 ASN N . 19458 1 186 . 1 1 88 88 PHE H H 1 8.3773 . . . . . . A 144 PHE H . 19458 1 187 . 1 1 88 88 PHE HA H 1 5.3702 . . . . . . A 144 PHE HA . 19458 1 188 . 1 1 88 88 PHE HB2 H 1 2.6692 . . . . . . A 144 PHE HB2 . 19458 1 189 . 1 1 88 88 PHE HB3 H 1 2.4510 . . . . . . A 144 PHE HB3 . 19458 1 190 . 1 1 88 88 PHE HD1 H 1 6.6681 . . . . . . A 144 PHE HD1 . 19458 1 191 . 1 1 88 88 PHE HD2 H 1 6.6681 . . . . . . A 144 PHE HD2 . 19458 1 192 . 1 1 88 88 PHE HE1 H 1 6.4570 . . . . . . A 144 PHE HE1 . 19458 1 193 . 1 1 88 88 PHE HE2 H 1 6.4570 . . . . . . A 144 PHE HE2 . 19458 1 194 . 1 1 88 88 PHE CA C 13 56.9736 . . . . . . A 144 PHE CA . 19458 1 195 . 1 1 88 88 PHE CB C 13 43.6126 . . . . . . A 144 PHE CB . 19458 1 196 . 1 1 88 88 PHE N N 15 118.4610 . . . . . . A 144 PHE N . 19458 1 197 . 1 1 89 89 HIS H H 1 8.9531 . . . . . . A 145 HIS H . 19458 1 198 . 1 1 89 89 HIS HB2 H 1 3.9540 . . . . . . A 145 HIS HB2 . 19458 1 199 . 1 1 89 89 HIS HB3 H 1 3.7890 . . . . . . A 145 HIS HB3 . 19458 1 200 . 1 1 89 89 HIS CB C 13 65.9890 . . . . . . A 145 HIS CB . 19458 1 201 . 1 1 89 89 HIS N N 15 113.5958 . . . . . . A 145 HIS N . 19458 1 202 . 1 1 90 90 TYR H H 1 8.6330 . . . . . . A 146 TYR H . 19458 1 203 . 1 1 90 90 TYR HA H 1 5.3050 . . . . . . A 146 TYR HA . 19458 1 204 . 1 1 90 90 TYR HB2 H 1 2.9658 . . . . . . A 146 TYR HB2 . 19458 1 205 . 1 1 90 90 TYR HB3 H 1 2.4670 . . . . . . A 146 TYR HB3 . 19458 1 206 . 1 1 90 90 TYR CA C 13 53.1345 . . . . . . A 146 TYR CA . 19458 1 207 . 1 1 90 90 TYR CB C 13 41.9284 . . . . . . A 146 TYR CB . 19458 1 208 . 1 1 90 90 TYR N N 15 115.7800 . . . . . . A 146 TYR N . 19458 1 209 . 1 1 91 91 GLY H H 1 8.4205 . . . . . . A 147 GLY H . 19458 1 210 . 1 1 91 91 GLY CA C 13 62.9230 . . . . . . A 147 GLY CA . 19458 1 211 . 1 1 91 91 GLY N N 15 119.4120 . . . . . . A 147 GLY N . 19458 1 212 . 1 1 92 92 SER H H 1 8.0087 . . . . . . A 148 SER H . 19458 1 213 . 1 1 92 92 SER HA H 1 4.0311 . . . . . . A 148 SER HA . 19458 1 214 . 1 1 92 92 SER HB2 H 1 1.7533 . . . . . . A 148 SER HB2 . 19458 1 215 . 1 1 92 92 SER HB3 H 1 1.7107 . . . . . . A 148 SER HB3 . 19458 1 216 . 1 1 92 92 SER HG H 1 1.3825 . . . . . . A 148 SER HG . 19458 1 217 . 1 1 92 92 SER CA C 13 57.8573 . . . . . . A 148 SER CA . 19458 1 218 . 1 1 92 92 SER CB C 13 31.9710 . . . . . . A 148 SER CB . 19458 1 219 . 1 1 92 92 SER N N 15 124.1160 . . . . . . A 148 SER N . 19458 1 220 . 1 1 93 93 VAL H H 1 8.8093 . . . . . . A 149 VAL H . 19458 1 221 . 1 1 93 93 VAL CA C 13 43.6151 . . . . . . A 149 VAL CA . 19458 1 222 . 1 1 93 93 VAL N N 15 114.3350 . . . . . . A 149 VAL N . 19458 1 223 . 1 1 94 94 VAL H H 1 7.9922 . . . . . . A 150 VAL H . 19458 1 224 . 1 1 94 94 VAL HA H 1 4.8015 . . . . . . A 150 VAL HA . 19458 1 225 . 1 1 94 94 VAL CA C 13 56.4548 . . . . . . A 150 VAL CA . 19458 1 226 . 1 1 94 94 VAL CB C 13 40.2226 . . . . . . A 150 VAL CB . 19458 1 227 . 1 1 94 94 VAL N N 15 119.0440 . . . . . . A 150 VAL N . 19458 1 228 . 1 1 95 95 THR H H 1 9.5043 . . . . . . A 151 THR H . 19458 1 229 . 1 1 95 95 THR HA H 1 4.7876 . . . . . . A 151 THR HA . 19458 1 230 . 1 1 95 95 THR CA C 13 53.0631 . . . . . . A 151 THR CA . 19458 1 231 . 1 1 95 95 THR CB C 13 33.3550 . . . . . . A 151 THR CB . 19458 1 232 . 1 1 95 95 THR N N 15 119.6509 . . . . . . A 151 THR N . 19458 1 233 . 1 1 96 96 TYR H H 1 8.3011 . . . . . . A 152 TYR H . 19458 1 234 . 1 1 96 96 TYR HA H 1 4.6419 . . . . . . A 152 TYR HA . 19458 1 235 . 1 1 96 96 TYR HB2 H 1 1.6018 . . . . . . A 152 TYR HB2 . 19458 1 236 . 1 1 96 96 TYR HB3 H 1 1.4681 . . . . . . A 152 TYR HB3 . 19458 1 237 . 1 1 96 96 TYR HD1 H 1 0.5522 . . . . . . A 152 TYR HD1 . 19458 1 238 . 1 1 96 96 TYR HD2 H 1 0.5522 . . . . . . A 152 TYR HD2 . 19458 1 239 . 1 1 96 96 TYR CA C 13 56.4660 . . . . . . A 152 TYR CA . 19458 1 240 . 1 1 96 96 TYR CB C 13 42.9247 . . . . . . A 152 TYR CB . 19458 1 241 . 1 1 96 96 TYR CG C 13 27.9720 . . . . . . A 152 TYR CG . 19458 1 242 . 1 1 96 96 TYR CD1 C 13 25.8342 . . . . . . A 152 TYR CD1 . 19458 1 243 . 1 1 96 96 TYR CD2 C 13 25.8342 . . . . . . A 152 TYR CD2 . 19458 1 244 . 1 1 96 96 TYR N N 15 126.3720 . . . . . . A 152 TYR N . 19458 1 245 . 1 1 97 97 ARG H H 1 9.5544 . . . . . . A 153 ARG H . 19458 1 246 . 1 1 97 97 ARG HA H 1 4.2444 . . . . . . A 153 ARG HA . 19458 1 247 . 1 1 97 97 ARG HG2 H 1 0.8237 . . . . . . A 153 ARG HG2 . 19458 1 248 . 1 1 97 97 ARG HG3 H 1 0.8237 . . . . . . A 153 ARG HG3 . 19458 1 249 . 1 1 97 97 ARG HD2 H 1 0.7968 . . . . . . A 153 ARG HD2 . 19458 1 250 . 1 1 97 97 ARG HD3 H 1 0.7968 . . . . . . A 153 ARG HD3 . 19458 1 251 . 1 1 97 97 ARG CA C 13 60.6982 . . . . . . A 153 ARG CA . 19458 1 252 . 1 1 97 97 ARG CB C 13 38.0444 . . . . . . A 153 ARG CB . 19458 1 253 . 1 1 97 97 ARG N N 15 130.4250 . . . . . . A 153 ARG N . 19458 1 254 . 1 1 98 98 CYS H H 1 8.3744 . . . . . . A 154 CYS H . 19458 1 255 . 1 1 98 98 CYS CA C 13 42.9324 . . . . . . A 154 CYS CA . 19458 1 256 . 1 1 98 98 CYS N N 15 116.5050 . . . . . . A 154 CYS N . 19458 1 257 . 1 1 99 99 ASN H H 1 8.5678 . . . . . . A 155 ASN H . 19458 1 258 . 1 1 99 99 ASN HA H 1 4.5590 . . . . . . A 155 ASN HA . 19458 1 259 . 1 1 99 99 ASN HB2 H 1 4.1322 . . . . . . A 155 ASN HB2 . 19458 1 260 . 1 1 99 99 ASN HB3 H 1 3.8269 . . . . . . A 155 ASN HB3 . 19458 1 261 . 1 1 99 99 ASN CA C 13 57.8750 . . . . . . A 155 ASN CA . 19458 1 262 . 1 1 99 99 ASN CB C 13 64.0140 . . . . . . A 155 ASN CB . 19458 1 263 . 1 1 99 99 ASN N N 15 116.7450 . . . . . . A 155 ASN N . 19458 1 264 . 1 1 100 100 PRO HA H 1 4.4087 . . . . . . A 156 PRO HA . 19458 1 265 . 1 1 100 100 PRO HB2 H 1 4.3097 . . . . . . A 156 PRO HB2 . 19458 1 266 . 1 1 100 100 PRO HB3 H 1 3.9029 . . . . . . A 156 PRO HB3 . 19458 1 267 . 1 1 100 100 PRO CA C 13 59.2143 . . . . . . A 156 PRO CA . 19458 1 268 . 1 1 100 100 PRO CB C 13 64.0080 . . . . . . A 156 PRO CB . 19458 1 269 . 1 1 100 100 PRO N N 15 116.6697 . . . . . . A 156 PRO N . 19458 1 270 . 1 1 101 101 GLY H H 1 7.8462 . . . . . . A 157 GLY H . 19458 1 271 . 1 1 101 101 GLY CA C 13 56.8893 . . . . . . A 157 GLY CA . 19458 1 272 . 1 1 101 101 GLY N N 15 115.2691 . . . . . . A 157 GLY N . 19458 1 273 . 1 1 102 102 SER H H 1 8.2026 . . . . . . A 158 SER H . 19458 1 274 . 1 1 102 102 SER HA H 1 5.1097 . . . . . . A 158 SER HA . 19458 1 275 . 1 1 102 102 SER HB2 H 1 1.5565 . . . . . . A 158 SER HB2 . 19458 1 276 . 1 1 102 102 SER HB3 H 1 1.5565 . . . . . . A 158 SER HB3 . 19458 1 277 . 1 1 102 102 SER CA C 13 51.5343 . . . . . . A 158 SER CA . 19458 1 278 . 1 1 102 102 SER CB C 13 24.4768 . . . . . . A 158 SER CB . 19458 1 279 . 1 1 102 102 SER N N 15 121.9647 . . . . . . A 158 SER N . 19458 1 280 . 1 1 103 103 GLY H H 1 9.3254 . . . . . . A 159 GLY H . 19458 1 281 . 1 1 103 103 GLY CA C 13 61.2707 . . . . . . A 159 GLY CA . 19458 1 282 . 1 1 103 103 GLY N N 15 117.4750 . . . . . . A 159 GLY N . 19458 1 283 . 1 1 104 104 GLY H H 1 8.2788 . . . . . . A 160 GLY H . 19458 1 284 . 1 1 104 104 GLY CA C 13 55.2342 . . . . . . A 160 GLY CA . 19458 1 285 . 1 1 104 104 GLY N N 15 127.4700 . . . . . . A 160 GLY N . 19458 1 286 . 1 1 105 105 ARG H H 1 9.2020 . . . . . . A 161 ARG H . 19458 1 287 . 1 1 105 105 ARG HA H 1 4.8329 . . . . . . A 161 ARG HA . 19458 1 288 . 1 1 105 105 ARG HG2 H 1 0.8976 . . . . . . A 161 ARG HG2 . 19458 1 289 . 1 1 105 105 ARG HG3 H 1 0.8976 . . . . . . A 161 ARG HG3 . 19458 1 290 . 1 1 105 105 ARG HD2 H 1 0.8691 . . . . . . A 161 ARG HD2 . 19458 1 291 . 1 1 105 105 ARG HD3 H 1 0.8691 . . . . . . A 161 ARG HD3 . 19458 1 292 . 1 1 105 105 ARG CA C 13 59.9527 . . . . . . A 161 ARG CA . 19458 1 293 . 1 1 105 105 ARG CB C 13 42.2136 . . . . . . A 161 ARG CB . 19458 1 294 . 1 1 105 105 ARG N N 15 126.4460 . . . . . . A 161 ARG N . 19458 1 295 . 1 1 106 106 LYS H H 1 7.9331 . . . . . . A 162 LYS H . 19458 1 296 . 1 1 106 106 LYS HA H 1 4.3791 . . . . . . A 162 LYS HA . 19458 1 297 . 1 1 106 106 LYS HG2 H 1 0.7754 . . . . . . A 162 LYS HG2 . 19458 1 298 . 1 1 106 106 LYS HG3 H 1 0.7754 . . . . . . A 162 LYS HG3 . 19458 1 299 . 1 1 106 106 LYS HD2 H 1 0.4043 . . . . . . A 162 LYS HD2 . 19458 1 300 . 1 1 106 106 LYS HD3 H 1 0.4043 . . . . . . A 162 LYS HD3 . 19458 1 301 . 1 1 106 106 LYS CA C 13 61.1520 . . . . . . A 162 LYS CA . 19458 1 302 . 1 1 106 106 LYS CB C 13 39.4636 . . . . . . A 162 LYS CB . 19458 1 303 . 1 1 106 106 LYS N N 15 118.4460 . . . . . . A 162 LYS N . 19458 1 304 . 1 1 107 107 VAL H H 1 8.2920 . . . . . . A 163 VAL H . 19458 1 305 . 1 1 107 107 VAL HA H 1 4.4800 . . . . . . A 163 VAL HA . 19458 1 306 . 1 1 107 107 VAL HB H 1 3.4603 . . . . . . A 163 VAL HB . 19458 1 307 . 1 1 107 107 VAL CA C 13 56.4600 . . . . . . A 163 VAL CA . 19458 1 308 . 1 1 107 107 VAL CB C 13 63.7363 . . . . . . A 163 VAL CB . 19458 1 309 . 1 1 107 107 VAL N N 15 121.3450 . . . . . . A 163 VAL N . 19458 1 310 . 1 1 108 108 PHE CA C 13 47.4220 . . . . . . A 164 PHE CA . 19458 1 311 . 1 1 109 109 GLU H H 1 8.6473 . . . . . . A 165 GLU H . 19458 1 312 . 1 1 109 109 GLU HB2 H 1 2.6410 . . . . . . A 165 GLU HB2 . 19458 1 313 . 1 1 109 109 GLU HB3 H 1 2.6410 . . . . . . A 165 GLU HB3 . 19458 1 314 . 1 1 109 109 GLU N N 15 126.3640 . . . . . . A 165 GLU N . 19458 1 315 . 1 1 110 110 LEU H H 1 7.9407 . . . . . . A 166 LEU H . 19458 1 316 . 1 1 110 110 LEU HA H 1 4.6539 . . . . . . A 166 LEU HA . 19458 1 317 . 1 1 110 110 LEU CA C 13 59.5070 . . . . . . A 166 LEU CA . 19458 1 318 . 1 1 110 110 LEU CB C 13 71.0627 . . . . . . A 166 LEU CB . 19458 1 319 . 1 1 110 110 LEU N N 15 114.5680 . . . . . . A 166 LEU N . 19458 1 320 . 1 1 111 111 VAL H H 1 8.1149 . . . . . . A 167 VAL H . 19458 1 321 . 1 1 111 111 VAL HA H 1 5.1067 . . . . . . A 167 VAL HA . 19458 1 322 . 1 1 111 111 VAL HB H 1 1.8973 . . . . . . A 167 VAL HB . 19458 1 323 . 1 1 111 111 VAL HG11 H 1 0.5394 . . . . . . A 167 VAL HG11 . 19458 1 324 . 1 1 111 111 VAL HG12 H 1 0.5394 . . . . . . A 167 VAL HG12 . 19458 1 325 . 1 1 111 111 VAL HG13 H 1 0.5394 . . . . . . A 167 VAL HG13 . 19458 1 326 . 1 1 111 111 VAL HG21 H 1 0.5812 . . . . . . A 167 VAL HG21 . 19458 1 327 . 1 1 111 111 VAL HG22 H 1 0.5812 . . . . . . A 167 VAL HG22 . 19458 1 328 . 1 1 111 111 VAL HG23 H 1 0.5812 . . . . . . A 167 VAL HG23 . 19458 1 329 . 1 1 111 111 VAL CA C 13 59.6190 . . . . . . A 167 VAL CA . 19458 1 330 . 1 1 111 111 VAL CB C 13 33.2148 . . . . . . A 167 VAL CB . 19458 1 331 . 1 1 111 111 VAL CG1 C 13 20.3566 . . . . . . A 167 VAL CG1 . 19458 1 332 . 1 1 111 111 VAL CG2 C 13 22.7841 . . . . . . A 167 VAL CG2 . 19458 1 333 . 1 1 111 111 VAL N N 15 118.9270 . . . . . . A 167 VAL N . 19458 1 334 . 1 1 112 112 GLY H H 1 8.8378 . . . . . . A 168 GLY H . 19458 1 335 . 1 1 112 112 GLY CA C 13 59.7710 . . . . . . A 168 GLY CA . 19458 1 336 . 1 1 112 112 GLY N N 15 119.0140 . . . . . . A 168 GLY N . 19458 1 337 . 1 1 113 113 GLU H H 1 7.4816 . . . . . . A 169 GLU H . 19458 1 338 . 1 1 113 113 GLU HA H 1 5.0608 . . . . . . A 169 GLU HA . 19458 1 339 . 1 1 113 113 GLU HB2 H 1 3.3577 . . . . . . A 169 GLU HB2 . 19458 1 340 . 1 1 113 113 GLU HB3 H 1 3.0909 . . . . . . A 169 GLU HB3 . 19458 1 341 . 1 1 113 113 GLU CA C 13 56.4542 . . . . . . A 169 GLU CA . 19458 1 342 . 1 1 113 113 GLU CB C 13 30.4857 . . . . . . A 169 GLU CB . 19458 1 343 . 1 1 113 113 GLU N N 15 122.0729 . . . . . . A 169 GLU N . 19458 1 344 . 1 1 114 114 PRO HA H 1 4.1667 . . . . . . A 170 PRO HA . 19458 1 345 . 1 1 114 114 PRO HB2 H 1 3.1175 . . . . . . A 170 PRO HB2 . 19458 1 346 . 1 1 114 114 PRO HB3 H 1 2.8537 . . . . . . A 170 PRO HB3 . 19458 1 347 . 1 1 114 114 PRO CA C 13 55.7990 . . . . . . A 170 PRO CA . 19458 1 348 . 1 1 114 114 PRO CB C 13 39.8268 . . . . . . A 170 PRO CB . 19458 1 349 . 1 1 114 114 PRO N N 15 123.2787 . . . . . . A 170 PRO N . 19458 1 350 . 1 1 115 115 SER H H 1 7.5050 . . . . . . A 171 SER H . 19458 1 351 . 1 1 115 115 SER HA H 1 4.6285 . . . . . . A 171 SER HA . 19458 1 352 . 1 1 115 115 SER CA C 13 60.2360 . . . . . . A 171 SER CA . 19458 1 353 . 1 1 115 115 SER CB C 13 71.3776 . . . . . . A 171 SER CB . 19458 1 354 . 1 1 115 115 SER N N 15 112.3860 . . . . . . A 171 SER N . 19458 1 355 . 1 1 116 116 ILE H H 1 8.1930 . . . . . . A 172 ILE H . 19458 1 356 . 1 1 116 116 ILE HA H 1 4.3487 . . . . . . A 172 ILE HA . 19458 1 357 . 1 1 116 116 ILE CA C 13 55.5950 . . . . . . A 172 ILE CA . 19458 1 358 . 1 1 116 116 ILE CB C 13 31.0460 . . . . . . A 172 ILE CB . 19458 1 359 . 1 1 116 116 ILE N N 15 122.3170 . . . . . . A 172 ILE N . 19458 1 360 . 1 1 117 117 TYR H H 1 8.0946 . . . . . . A 173 TYR H . 19458 1 361 . 1 1 117 117 TYR HA H 1 3.6496 . . . . . . A 173 TYR HA . 19458 1 362 . 1 1 117 117 TYR CA C 13 61.9020 . . . . . . A 173 TYR CA . 19458 1 363 . 1 1 117 117 TYR CB C 13 70.0200 . . . . . . A 173 TYR CB . 19458 1 364 . 1 1 117 117 TYR N N 15 120.6250 . . . . . . A 173 TYR N . 19458 1 365 . 1 1 118 118 CYS HA H 1 4.5328 . . . . . . A 174 CYS HA . 19458 1 366 . 1 1 118 118 CYS HB2 H 1 1.9537 . . . . . . A 174 CYS HB2 . 19458 1 367 . 1 1 118 118 CYS HB3 H 1 1.5234 . . . . . . A 174 CYS HB3 . 19458 1 368 . 1 1 118 118 CYS CA C 13 62.5483 . . . . . . A 174 CYS CA . 19458 1 369 . 1 1 118 118 CYS CB C 13 32.7520 . . . . . . A 174 CYS CB . 19458 1 370 . 1 1 119 119 THR H H 1 7.7770 . . . . . . A 175 THR H . 19458 1 371 . 1 1 119 119 THR HA H 1 4.2235 . . . . . . A 175 THR HA . 19458 1 372 . 1 1 119 119 THR HB H 1 1.7010 . . . . . . A 175 THR HB . 19458 1 373 . 1 1 119 119 THR HG21 H 1 0.8372 . . . . . . A 175 THR HG21 . 19458 1 374 . 1 1 119 119 THR HG22 H 1 0.8372 . . . . . . A 175 THR HG22 . 19458 1 375 . 1 1 119 119 THR HG23 H 1 0.8372 . . . . . . A 175 THR HG23 . 19458 1 376 . 1 1 119 119 THR CA C 13 58.9830 . . . . . . A 175 THR CA . 19458 1 377 . 1 1 119 119 THR CB C 13 41.1930 . . . . . . A 175 THR CB . 19458 1 378 . 1 1 119 119 THR CG2 C 13 17.7470 . . . . . . A 175 THR CG2 . 19458 1 379 . 1 1 119 119 THR N N 15 114.6690 . . . . . . A 175 THR N . 19458 1 380 . 1 1 120 120 SER H H 1 8.6270 . . . . . . A 176 SER H . 19458 1 381 . 1 1 120 120 SER HA H 1 5.3997 . . . . . . A 176 SER HA . 19458 1 382 . 1 1 120 120 SER HB2 H 1 3.1365 . . . . . . A 176 SER HB2 . 19458 1 383 . 1 1 120 120 SER HB3 H 1 2.4096 . . . . . . A 176 SER HB3 . 19458 1 384 . 1 1 120 120 SER CA C 13 53.7499 . . . . . . A 176 SER CA . 19458 1 385 . 1 1 120 120 SER CB C 13 41.2305 . . . . . . A 176 SER CB . 19458 1 386 . 1 1 120 120 SER N N 15 123.2840 . . . . . . A 176 SER N . 19458 1 387 . 1 1 121 121 ASN H H 1 9.3191 . . . . . . A 177 ASN H . 19458 1 388 . 1 1 121 121 ASN HA H 1 5.1880 . . . . . . A 177 ASN HA . 19458 1 389 . 1 1 121 121 ASN HB2 H 1 2.6633 . . . . . . A 177 ASN HB2 . 19458 1 390 . 1 1 121 121 ASN HB3 H 1 2.4360 . . . . . . A 177 ASN HB3 . 19458 1 391 . 1 1 121 121 ASN CA C 13 52.1236 . . . . . . A 177 ASN CA . 19458 1 392 . 1 1 121 121 ASN CB C 13 44.9555 . . . . . . A 177 ASN CB . 19458 1 393 . 1 1 121 121 ASN N N 15 126.1820 . . . . . . A 177 ASN N . 19458 1 394 . 1 1 122 122 ASP H H 1 8.5138 . . . . . . A 178 ASP H . 19458 1 395 . 1 1 122 122 ASP HA H 1 3.3891 . . . . . . A 178 ASP HA . 19458 1 396 . 1 1 122 122 ASP HB2 H 1 1.4172 . . . . . . A 178 ASP HB2 . 19458 1 397 . 1 1 122 122 ASP HB3 H 1 1.4121 . . . . . . A 178 ASP HB3 . 19458 1 398 . 1 1 122 122 ASP CA C 13 57.2723 . . . . . . A 178 ASP CA . 19458 1 399 . 1 1 122 122 ASP CB C 13 30.6504 . . . . . . A 178 ASP CB . 19458 1 400 . 1 1 122 122 ASP CG C 13 27.5030 . . . . . . A 178 ASP CG . 19458 1 401 . 1 1 122 122 ASP N N 15 127.2830 . . . . . . A 178 ASP N . 19458 1 402 . 1 1 123 123 ASP H H 1 8.0209 . . . . . . A 179 ASP H . 19458 1 403 . 1 1 123 123 ASP HA H 1 3.8447 . . . . . . A 179 ASP HA . 19458 1 404 . 1 1 123 123 ASP CA C 13 60.8600 . . . . . . A 179 ASP CA . 19458 1 405 . 1 1 123 123 ASP CB C 13 40.1410 . . . . . . A 179 ASP CB . 19458 1 406 . 1 1 123 123 ASP N N 15 127.1520 . . . . . . A 179 ASP N . 19458 1 407 . 1 1 124 124 GLN HA H 1 4.9729 . . . . . . A 180 GLN HA . 19458 1 408 . 1 1 124 124 GLN HB2 H 1 2.0964 . . . . . . A 180 GLN HB2 . 19458 1 409 . 1 1 124 124 GLN HB3 H 1 1.8854 . . . . . . A 180 GLN HB3 . 19458 1 410 . 1 1 124 124 GLN HG2 H 1 1.8540 . . . . . . A 180 GLN HG2 . 19458 1 411 . 1 1 124 124 GLN HG3 H 1 1.6440 . . . . . . A 180 GLN HG3 . 19458 1 412 . 1 1 124 124 GLN CA C 13 62.3190 . . . . . . A 180 GLN CA . 19458 1 413 . 1 1 124 124 GLN CB C 13 32.6710 . . . . . . A 180 GLN CB . 19458 1 414 . 1 1 124 124 GLN CD C 13 50.8875 . . . . . . A 180 GLN CD . 19458 1 415 . 1 1 125 125 VAL H H 1 7.7744 . . . . . . A 181 VAL H . 19458 1 416 . 1 1 125 125 VAL HA H 1 4.4882 . . . . . . A 181 VAL HA . 19458 1 417 . 1 1 125 125 VAL CA C 13 57.8440 . . . . . . A 181 VAL CA . 19458 1 418 . 1 1 125 125 VAL CB C 13 48.0581 . . . . . . A 181 VAL CB . 19458 1 419 . 1 1 125 125 VAL N N 15 115.0466 . . . . . . A 181 VAL N . 19458 1 420 . 1 1 126 126 GLY H H 1 8.1976 . . . . . . A 182 GLY H . 19458 1 421 . 1 1 126 126 GLY HA2 H 1 4.3253 . . . . . . A 182 GLY HA2 . 19458 1 422 . 1 1 126 126 GLY HA3 H 1 3.7872 . . . . . . A 182 GLY HA3 . 19458 1 423 . 1 1 126 126 GLY CA C 13 43.8680 . . . . . . A 182 GLY CA . 19458 1 424 . 1 1 126 126 GLY N N 15 107.0669 . . . . . . A 182 GLY N . 19458 1 425 . 1 1 127 127 ILE H H 1 7.9964 . . . . . . A 183 ILE H . 19458 1 426 . 1 1 127 127 ILE HA H 1 4.1362 . . . . . . A 183 ILE HA . 19458 1 427 . 1 1 127 127 ILE HD11 H 1 1.0907 . . . . . . A 183 ILE HD11 . 19458 1 428 . 1 1 127 127 ILE HD12 H 1 1.0907 . . . . . . A 183 ILE HD12 . 19458 1 429 . 1 1 127 127 ILE HD13 H 1 1.0907 . . . . . . A 183 ILE HD13 . 19458 1 430 . 1 1 127 127 ILE CA C 13 54.4040 . . . . . . A 183 ILE CA . 19458 1 431 . 1 1 127 127 ILE CB C 13 40.8100 . . . . . . A 183 ILE CB . 19458 1 432 . 1 1 127 127 ILE CD1 C 13 25.2490 . . . . . . A 183 ILE CD1 . 19458 1 433 . 1 1 127 127 ILE N N 15 117.4807 . . . . . . A 183 ILE N . 19458 1 434 . 1 1 128 128 TRP HA H 1 3.0495 . . . . . . A 184 TRP HA . 19458 1 435 . 1 1 128 128 TRP HB2 H 1 0.8873 . . . . . . A 184 TRP HB2 . 19458 1 436 . 1 1 128 128 TRP HB3 H 1 -0.3776 . . . . . . A 184 TRP HB3 . 19458 1 437 . 1 1 128 128 TRP HD1 H 1 2.4271 . . . . . . A 184 TRP HD1 . 19458 1 438 . 1 1 128 128 TRP CA C 13 60.5600 . . . . . . A 184 TRP CA . 19458 1 439 . 1 1 128 128 TRP CB C 13 28.6070 . . . . . . A 184 TRP CB . 19458 1 440 . 1 1 128 128 TRP CG C 13 25.2080 . . . . . . A 184 TRP CG . 19458 1 441 . 1 1 129 129 SER HA H 1 4.1848 . . . . . . A 185 SER HA . 19458 1 442 . 1 1 129 129 SER HB2 H 1 2.1756 . . . . . . A 185 SER HB2 . 19458 1 443 . 1 1 129 129 SER HB3 H 1 1.5719 . . . . . . A 185 SER HB3 . 19458 1 444 . 1 1 129 129 SER HG H 1 1.7915 . . . . . . A 185 SER HG . 19458 1 445 . 1 1 129 129 SER CA C 13 62.5678 . . . . . . A 185 SER CA . 19458 1 446 . 1 1 129 129 SER CB C 13 32.0221 . . . . . . A 185 SER CB . 19458 1 447 . 1 1 130 130 GLY H H 1 7.9807 . . . . . . A 186 GLY H . 19458 1 448 . 1 1 130 130 GLY CA C 13 61.9159 . . . . . . A 186 GLY CA . 19458 1 449 . 1 1 130 130 GLY N N 15 116.0006 . . . . . . A 186 GLY N . 19458 1 450 . 1 1 131 131 PRO HA H 1 4.6060 . . . . . . A 187 PRO HA . 19458 1 451 . 1 1 131 131 PRO HG2 H 1 0.7199 . . . . . . A 187 PRO HG2 . 19458 1 452 . 1 1 131 131 PRO HG3 H 1 0.7199 . . . . . . A 187 PRO HG3 . 19458 1 453 . 1 1 131 131 PRO HD2 H 1 0.4790 . . . . . . A 187 PRO HD2 . 19458 1 454 . 1 1 131 131 PRO HD3 H 1 0.4790 . . . . . . A 187 PRO HD3 . 19458 1 455 . 1 1 131 131 PRO CA C 13 58.5140 . . . . . . A 187 PRO CA . 19458 1 456 . 1 1 131 131 PRO CB C 13 41.5150 . . . . . . A 187 PRO CB . 19458 1 457 . 1 1 131 131 PRO N N 15 119.8890 . . . . . . A 187 PRO N . 19458 1 458 . 1 1 132 132 ALA H H 1 8.0476 . . . . . . A 188 ALA H . 19458 1 459 . 1 1 132 132 ALA HA H 1 4.0415 . . . . . . A 188 ALA HA . 19458 1 460 . 1 1 132 132 ALA CA C 13 63.2116 . . . . . . A 188 ALA CA . 19458 1 461 . 1 1 132 132 ALA CB C 13 68.7096 . . . . . . A 188 ALA CB . 19458 1 462 . 1 1 132 132 ALA N N 15 121.3470 . . . . . . A 188 ALA N . 19458 1 463 . 1 1 133 133 PRO HA H 1 4.0125 . . . . . . A 189 PRO HA . 19458 1 464 . 1 1 133 133 PRO HB2 H 1 2.4338 . . . . . . A 189 PRO HB2 . 19458 1 465 . 1 1 133 133 PRO HB3 H 1 1.8831 . . . . . . A 189 PRO HB3 . 19458 1 466 . 1 1 133 133 PRO CA C 13 55.1130 . . . . . . A 189 PRO CA . 19458 1 467 . 1 1 133 133 PRO CB C 13 36.0894 . . . . . . A 189 PRO CB . 19458 1 468 . 1 1 133 133 PRO N N 15 117.9600 . . . . . . A 189 PRO N . 19458 1 469 . 1 1 134 134 GLN H H 1 7.0512 . . . . . . A 190 GLN H . 19458 1 470 . 1 1 134 134 GLN CA C 13 46.2488 . . . . . . A 190 GLN CA . 19458 1 471 . 1 1 134 134 GLN N N 15 102.7058 . . . . . . A 190 GLN N . 19458 1 472 . 1 1 135 135 CYS H H 1 8.7377 . . . . . . A 191 CYS H . 19458 1 473 . 1 1 135 135 CYS HA H 1 4.8490 . . . . . . A 191 CYS HA . 19458 1 474 . 1 1 135 135 CYS HB2 H 1 2.6860 . . . . . . A 191 CYS HB2 . 19458 1 475 . 1 1 135 135 CYS HB3 H 1 2.4977 . . . . . . A 191 CYS HB3 . 19458 1 476 . 1 1 135 135 CYS CA C 13 52.3990 . . . . . . A 191 CYS CA . 19458 1 477 . 1 1 135 135 CYS CB C 13 43.6127 . . . . . . A 191 CYS CB . 19458 1 478 . 1 1 135 135 CYS N N 15 118.4460 . . . . . . A 191 CYS N . 19458 1 479 . 1 1 136 136 ILE H H 1 8.4248 . . . . . . A 192 ILE H . 19458 1 480 . 1 1 136 136 ILE HA H 1 5.3122 . . . . . . A 192 ILE HA . 19458 1 481 . 1 1 136 136 ILE HD11 H 1 6.7484 . . . . . . A 192 ILE HD11 . 19458 1 482 . 1 1 136 136 ILE HD12 H 1 6.7484 . . . . . . A 192 ILE HD12 . 19458 1 483 . 1 1 136 136 ILE HD13 H 1 6.7484 . . . . . . A 192 ILE HD13 . 19458 1 484 . 1 1 136 136 ILE CA C 13 55.0478 . . . . . . A 192 ILE CA . 19458 1 485 . 1 1 136 136 ILE CB C 13 41.1686 . . . . . . A 192 ILE CB . 19458 1 486 . 1 1 136 136 ILE N N 15 114.4590 . . . . . . A 192 ILE N . 19458 1 stop_ save_