data_50187 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50187 _Entry.Title ; RBM5 RRM1-Zf1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-02-02 _Entry.Accession_date 2020-02-02 _Entry.Last_release_date 2020-02-04 _Entry.Original_release_date 2020-02-04 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1_Analysis _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'RBM5 RRM1-Zf1' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Komal Soni . . . 0000-0002-7160-3189 50187 2 Michael Sattler . . . 0000-0002-1594-0527 50187 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50187 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 321 50187 '15N chemical shifts' 110 50187 '1H chemical shifts' 109 50187 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 . . 2020-07-13 2020-02-02 update BMRB 'update entry citation' 50187 1 . . 2020-06-09 2020-02-02 original author 'original release' 50187 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50191 'RBM5 RRM1-Zf1, C191G mutant' 50187 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50187 _Citation.ID 1 _Citation.Name 'RBM5 RRM1-Zf1' _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32450081 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Conformational Dynamics From Ambiguous Zinc Coordination in the RanBP2-Type Zinc Finger of RBM5 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 432 _Citation.Journal_issue 14 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1089-8638 _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 4127 _Citation.Page_last 4138 _Citation.Year 2020 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Komal Soni K. . . . 50187 1 2 Santiago Martinez-Lumbreras S. . . . 50187 1 3 Michael Sattler M. . . . 50187 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID RBM5 50187 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50187 _Assembly.ID 1 _Assembly.Name 'monomer RRM1-Zf1 wt' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 RRM1-Zf1 1 $entity_1 . . yes native yes yes . . . 50187 1 2 Zn 2 $entity_ZN . . no native yes yes . . . 50187 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50187 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGERESKTIMLRGLPTTITE SDIREMMESFEGPQPADVRL MKRKTGVSRGFAFVEFYHLQ DATSWMEANQKKLVIQGKHI AMHYSNPRPKFEDWLCNKCC LNNFRKRLKCFRCGADKFD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 92-210 _Entity.Polymer_author_seq_details 'Sequence numbering starts from 92 and residues 92, 93 are cloning artifacts.' _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 . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free disulfide and other bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation I107T _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_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 yes NCBI NP_005769.1 . RBM5 . . . . . . . . . . . . . . 50187 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 92 MET . 50187 1 2 93 GLY . 50187 1 3 94 GLU . 50187 1 4 95 ARG . 50187 1 5 96 GLU . 50187 1 6 97 SER . 50187 1 7 98 LYS . 50187 1 8 99 THR . 50187 1 9 100 ILE . 50187 1 10 101 MET . 50187 1 11 102 LEU . 50187 1 12 103 ARG . 50187 1 13 104 GLY . 50187 1 14 105 LEU . 50187 1 15 106 PRO . 50187 1 16 107 THR . 50187 1 17 108 THR . 50187 1 18 109 ILE . 50187 1 19 110 THR . 50187 1 20 111 GLU . 50187 1 21 112 SER . 50187 1 22 113 ASP . 50187 1 23 114 ILE . 50187 1 24 115 ARG . 50187 1 25 116 GLU . 50187 1 26 117 MET . 50187 1 27 118 MET . 50187 1 28 119 GLU . 50187 1 29 120 SER . 50187 1 30 121 PHE . 50187 1 31 122 GLU . 50187 1 32 123 GLY . 50187 1 33 124 PRO . 50187 1 34 125 GLN . 50187 1 35 126 PRO . 50187 1 36 127 ALA . 50187 1 37 128 ASP . 50187 1 38 129 VAL . 50187 1 39 130 ARG . 50187 1 40 131 LEU . 50187 1 41 132 MET . 50187 1 42 133 LYS . 50187 1 43 134 ARG . 50187 1 44 135 LYS . 50187 1 45 136 THR . 50187 1 46 137 GLY . 50187 1 47 138 VAL . 50187 1 48 139 SER . 50187 1 49 140 ARG . 50187 1 50 141 GLY . 50187 1 51 142 PHE . 50187 1 52 143 ALA . 50187 1 53 144 PHE . 50187 1 54 145 VAL . 50187 1 55 146 GLU . 50187 1 56 147 PHE . 50187 1 57 148 TYR . 50187 1 58 149 HIS . 50187 1 59 150 LEU . 50187 1 60 151 GLN . 50187 1 61 152 ASP . 50187 1 62 153 ALA . 50187 1 63 154 THR . 50187 1 64 155 SER . 50187 1 65 156 TRP . 50187 1 66 157 MET . 50187 1 67 158 GLU . 50187 1 68 159 ALA . 50187 1 69 160 ASN . 50187 1 70 161 GLN . 50187 1 71 162 LYS . 50187 1 72 163 LYS . 50187 1 73 164 LEU . 50187 1 74 165 VAL . 50187 1 75 166 ILE . 50187 1 76 167 GLN . 50187 1 77 168 GLY . 50187 1 78 169 LYS . 50187 1 79 170 HIS . 50187 1 80 171 ILE . 50187 1 81 172 ALA . 50187 1 82 173 MET . 50187 1 83 174 HIS . 50187 1 84 175 TYR . 50187 1 85 176 SER . 50187 1 86 177 ASN . 50187 1 87 178 PRO . 50187 1 88 179 ARG . 50187 1 89 180 PRO . 50187 1 90 181 LYS . 50187 1 91 182 PHE . 50187 1 92 183 GLU . 50187 1 93 184 ASP . 50187 1 94 185 TRP . 50187 1 95 186 LEU . 50187 1 96 187 CYS . 50187 1 97 188 ASN . 50187 1 98 189 LYS . 50187 1 99 190 CYS . 50187 1 100 191 CYS . 50187 1 101 192 LEU . 50187 1 102 193 ASN . 50187 1 103 194 ASN . 50187 1 104 195 PHE . 50187 1 105 196 ARG . 50187 1 106 197 LYS . 50187 1 107 198 ARG . 50187 1 108 199 LEU . 50187 1 109 200 LYS . 50187 1 110 201 CYS . 50187 1 111 202 PHE . 50187 1 112 203 ARG . 50187 1 113 204 CYS . 50187 1 114 205 GLY . 50187 1 115 206 ALA . 50187 1 116 207 ASP . 50187 1 117 208 LYS . 50187 1 118 209 PHE . 50187 1 119 210 ASP . 50187 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 50187 1 . GLY 2 2 50187 1 . GLU 3 3 50187 1 . ARG 4 4 50187 1 . GLU 5 5 50187 1 . SER 6 6 50187 1 . LYS 7 7 50187 1 . THR 8 8 50187 1 . ILE 9 9 50187 1 . MET 10 10 50187 1 . LEU 11 11 50187 1 . ARG 12 12 50187 1 . GLY 13 13 50187 1 . LEU 14 14 50187 1 . PRO 15 15 50187 1 . THR 16 16 50187 1 . THR 17 17 50187 1 . ILE 18 18 50187 1 . THR 19 19 50187 1 . GLU 20 20 50187 1 . SER 21 21 50187 1 . ASP 22 22 50187 1 . ILE 23 23 50187 1 . ARG 24 24 50187 1 . GLU 25 25 50187 1 . MET 26 26 50187 1 . MET 27 27 50187 1 . GLU 28 28 50187 1 . SER 29 29 50187 1 . PHE 30 30 50187 1 . GLU 31 31 50187 1 . GLY 32 32 50187 1 . PRO 33 33 50187 1 . GLN 34 34 50187 1 . PRO 35 35 50187 1 . ALA 36 36 50187 1 . ASP 37 37 50187 1 . VAL 38 38 50187 1 . ARG 39 39 50187 1 . LEU 40 40 50187 1 . MET 41 41 50187 1 . LYS 42 42 50187 1 . ARG 43 43 50187 1 . LYS 44 44 50187 1 . THR 45 45 50187 1 . GLY 46 46 50187 1 . VAL 47 47 50187 1 . SER 48 48 50187 1 . ARG 49 49 50187 1 . GLY 50 50 50187 1 . PHE 51 51 50187 1 . ALA 52 52 50187 1 . PHE 53 53 50187 1 . VAL 54 54 50187 1 . GLU 55 55 50187 1 . PHE 56 56 50187 1 . TYR 57 57 50187 1 . HIS 58 58 50187 1 . LEU 59 59 50187 1 . GLN 60 60 50187 1 . ASP 61 61 50187 1 . ALA 62 62 50187 1 . THR 63 63 50187 1 . SER 64 64 50187 1 . TRP 65 65 50187 1 . MET 66 66 50187 1 . GLU 67 67 50187 1 . ALA 68 68 50187 1 . ASN 69 69 50187 1 . GLN 70 70 50187 1 . LYS 71 71 50187 1 . LYS 72 72 50187 1 . LEU 73 73 50187 1 . VAL 74 74 50187 1 . ILE 75 75 50187 1 . GLN 76 76 50187 1 . GLY 77 77 50187 1 . LYS 78 78 50187 1 . HIS 79 79 50187 1 . ILE 80 80 50187 1 . ALA 81 81 50187 1 . MET 82 82 50187 1 . HIS 83 83 50187 1 . TYR 84 84 50187 1 . SER 85 85 50187 1 . ASN 86 86 50187 1 . PRO 87 87 50187 1 . ARG 88 88 50187 1 . PRO 89 89 50187 1 . LYS 90 90 50187 1 . PHE 91 91 50187 1 . GLU 92 92 50187 1 . ASP 93 93 50187 1 . TRP 94 94 50187 1 . LEU 95 95 50187 1 . CYS 96 96 50187 1 . ASN 97 97 50187 1 . LYS 98 98 50187 1 . CYS 99 99 50187 1 . CYS 100 100 50187 1 . LEU 101 101 50187 1 . ASN 102 102 50187 1 . ASN 103 103 50187 1 . PHE 104 104 50187 1 . ARG 105 105 50187 1 . LYS 106 106 50187 1 . ARG 107 107 50187 1 . LEU 108 108 50187 1 . LYS 109 109 50187 1 . CYS 110 110 50187 1 . PHE 111 111 50187 1 . ARG 112 112 50187 1 . CYS 113 113 50187 1 . GLY 114 114 50187 1 . ALA 115 115 50187 1 . ASP 116 116 50187 1 . LYS 117 117 50187 1 . PHE 118 118 50187 1 . ASP 119 119 50187 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 50187 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name entity_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 . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _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 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 50187 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 50187 2 ZN 'Three letter code' 50187 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 ZN $chem_comp_ZN 50187 2 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50187 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 50187 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50187 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' . . plasmid . . pET28a . . . 50187 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 50187 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _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 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _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 . _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=1S/Zn/q+2 InChI InChI 1.03 50187 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 50187 ZN [Zn++] SMILES CACTVS 3.341 50187 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 50187 ZN [Zn+2] SMILES ACDLabs 10.04 50187 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 50187 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 50187 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 50187 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 50187 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 ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 50187 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50187 _Sample.ID 1 _Sample.Name 'RRM1-Zf1 wt: 13C 15N sample' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 entity_1 '[U-13C; U-15]' . . 1 $entity_1 . . . . . mM . . . . 50187 1 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 50187 1 3 'sodium chloride' 'natural abundance' . . . . . . 400 . . mM . . . . 50187 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 50187 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 50187 _Sample_condition_list.ID 1 _Sample_condition_list.Name conditions_1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.4 . M 50187 1 pH 6.5 . pH 50187 1 pressure 1 . atm 50187 1 temperature 298 . K 50187 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1_Analysis _Software.Sf_category software _Software.Sf_framecode software_1_Analysis _Software.Entry_ID 50187 _Software.ID 1 _Software.Type . _Software.Name Analysis _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 50187 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 50187 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1_800 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1_800 _NMR_spectrometer.Entry_ID 50187 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 800 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2_600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2_600 _NMR_spectrometer.Entry_ID 50187 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 600 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50187 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1_800 . . . . . . . . . . . . . . . . 50187 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1_800 . . . . . . . . . . . . . . . . 50187 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1_800 . . . . . . . . . . . . . . . . 50187 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 50187 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name R1Zf1wt _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.7 internal direct 1 . . . . . 50187 1 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . 50187 1 N 15 water protons . . . . ppm 4.7 internal direct 1 . . . . . 50187 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 50187 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name R1Zf1wt-full _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 50187 1 2 '3D CBCA(CO)NH' . . . 50187 1 3 '3D HNCACB' . . . 50187 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 GLY C C 13 170.110 0.000 . . . . . . . 93 GLY C . 50187 1 2 . 1 . 1 2 2 GLY CA C 13 43.470 0.000 . . . . . . . 93 GLY CA . 50187 1 3 . 1 . 1 3 3 GLU H H 1 8.743 0.002 . . . . . . . 94 GLU H . 50187 1 4 . 1 . 1 3 3 GLU C C 13 176.014 0.000 . . . . . . . 94 GLU C . 50187 1 5 . 1 . 1 3 3 GLU CA C 13 56.479 0.000 . . . . . . . 94 GLU CA . 50187 1 6 . 1 . 1 3 3 GLU CB C 13 31.133 0.000 . . . . . . . 94 GLU CB . 50187 1 7 . 1 . 1 3 3 GLU N N 15 120.789 0.022 . . . . . . . 94 GLU N . 50187 1 8 . 1 . 1 4 4 ARG H H 1 8.511 0.001 . . . . . . . 95 ARG H . 50187 1 9 . 1 . 1 4 4 ARG C C 13 174.970 0.000 . . . . . . . 95 ARG C . 50187 1 10 . 1 . 1 4 4 ARG CA C 13 55.867 0.000 . . . . . . . 95 ARG CA . 50187 1 11 . 1 . 1 4 4 ARG CB C 13 30.572 0.000 . . . . . . . 95 ARG CB . 50187 1 12 . 1 . 1 4 4 ARG N N 15 123.134 0.029 . . . . . . . 95 ARG N . 50187 1 13 . 1 . 1 5 5 GLU H H 1 8.252 0.002 . . . . . . . 96 GLU H . 50187 1 14 . 1 . 1 5 5 GLU C C 13 175.173 0.000 . . . . . . . 96 GLU C . 50187 1 15 . 1 . 1 5 5 GLU CA C 13 56.780 0.000 . . . . . . . 96 GLU CA . 50187 1 16 . 1 . 1 5 5 GLU CB C 13 29.681 0.000 . . . . . . . 96 GLU CB . 50187 1 17 . 1 . 1 5 5 GLU N N 15 121.673 0.021 . . . . . . . 96 GLU N . 50187 1 18 . 1 . 1 6 6 SER H H 1 6.510 0.004 . . . . . . . 97 SER H . 50187 1 19 . 1 . 1 6 6 SER C C 13 171.712 0.000 . . . . . . . 97 SER C . 50187 1 20 . 1 . 1 6 6 SER CA C 13 55.730 0.000 . . . . . . . 97 SER CA . 50187 1 21 . 1 . 1 6 6 SER CB C 13 65.880 0.000 . . . . . . . 97 SER CB . 50187 1 22 . 1 . 1 6 6 SER N N 15 116.237 0.030 . . . . . . . 97 SER N . 50187 1 23 . 1 . 1 7 7 LYS H H 1 8.029 0.000 . . . . . . . 98 LYS H . 50187 1 24 . 1 . 1 7 7 LYS C C 13 174.813 0.000 . . . . . . . 98 LYS C . 50187 1 25 . 1 . 1 7 7 LYS CA C 13 57.872 0.000 . . . . . . . 98 LYS CA . 50187 1 26 . 1 . 1 7 7 LYS CB C 13 32.658 0.000 . . . . . . . 98 LYS CB . 50187 1 27 . 1 . 1 7 7 LYS N N 15 116.405 0.013 . . . . . . . 98 LYS N . 50187 1 28 . 1 . 1 8 8 THR H H 1 8.497 0.003 . . . . . . . 99 THR H . 50187 1 29 . 1 . 1 8 8 THR C C 13 174.616 0.000 . . . . . . . 99 THR C . 50187 1 30 . 1 . 1 8 8 THR CA C 13 62.512 0.000 . . . . . . . 99 THR CA . 50187 1 31 . 1 . 1 8 8 THR CB C 13 69.916 0.000 . . . . . . . 99 THR CB . 50187 1 32 . 1 . 1 8 8 THR N N 15 115.801 0.012 . . . . . . . 99 THR N . 50187 1 33 . 1 . 1 9 9 ILE H H 1 9.392 0.004 . . . . . . . 100 ILE H . 50187 1 34 . 1 . 1 9 9 ILE C C 13 174.196 0.000 . . . . . . . 100 ILE C . 50187 1 35 . 1 . 1 9 9 ILE CA C 13 59.539 0.000 . . . . . . . 100 ILE CA . 50187 1 36 . 1 . 1 9 9 ILE CB C 13 41.814 0.000 . . . . . . . 100 ILE CB . 50187 1 37 . 1 . 1 9 9 ILE N N 15 125.764 0.013 . . . . . . . 100 ILE N . 50187 1 38 . 1 . 1 10 10 MET H H 1 9.388 0.003 . . . . . . . 101 MET H . 50187 1 39 . 1 . 1 10 10 MET C C 13 174.723 0.000 . . . . . . . 101 MET C . 50187 1 40 . 1 . 1 10 10 MET CA C 13 53.857 0.000 . . . . . . . 101 MET CA . 50187 1 41 . 1 . 1 10 10 MET CB C 13 36.185 0.000 . . . . . . . 101 MET CB . 50187 1 42 . 1 . 1 10 10 MET N N 15 126.252 0.026 . . . . . . . 101 MET N . 50187 1 43 . 1 . 1 11 11 LEU H H 1 9.051 0.002 . . . . . . . 102 LEU H . 50187 1 44 . 1 . 1 11 11 LEU C C 13 175.952 0.000 . . . . . . . 102 LEU C . 50187 1 45 . 1 . 1 11 11 LEU CA C 13 53.246 0.000 . . . . . . . 102 LEU CA . 50187 1 46 . 1 . 1 11 11 LEU CB C 13 43.345 0.000 . . . . . . . 102 LEU CB . 50187 1 47 . 1 . 1 11 11 LEU N N 15 125.713 0.007 . . . . . . . 102 LEU N . 50187 1 48 . 1 . 1 12 12 ARG H H 1 8.761 0.001 . . . . . . . 103 ARG H . 50187 1 49 . 1 . 1 12 12 ARG C C 13 175.311 0.000 . . . . . . . 103 ARG C . 50187 1 50 . 1 . 1 12 12 ARG CA C 13 55.027 0.000 . . . . . . . 103 ARG CA . 50187 1 51 . 1 . 1 12 12 ARG CB C 13 34.245 0.000 . . . . . . . 103 ARG CB . 50187 1 52 . 1 . 1 12 12 ARG N N 15 120.022 0.019 . . . . . . . 103 ARG N . 50187 1 53 . 1 . 1 13 13 GLY H H 1 8.290 0.003 . . . . . . . 104 GLY H . 50187 1 54 . 1 . 1 13 13 GLY C C 13 175.540 0.000 . . . . . . . 104 GLY C . 50187 1 55 . 1 . 1 13 13 GLY CA C 13 45.752 0.000 . . . . . . . 104 GLY CA . 50187 1 56 . 1 . 1 13 13 GLY N N 15 109.310 0.036 . . . . . . . 104 GLY N . 50187 1 57 . 1 . 1 14 14 LEU H H 1 8.153 0.000 . . . . . . . 105 LEU H . 50187 1 58 . 1 . 1 14 14 LEU N N 15 119.308 0.019 . . . . . . . 105 LEU N . 50187 1 59 . 1 . 1 15 15 PRO C C 13 178.727 0.000 . . . . . . . 106 PRO C . 50187 1 60 . 1 . 1 15 15 PRO CA C 13 62.533 0.000 . . . . . . . 106 PRO CA . 50187 1 61 . 1 . 1 15 15 PRO CB C 13 32.233 0.000 . . . . . . . 106 PRO CB . 50187 1 62 . 1 . 1 16 16 THR H H 1 8.960 0.002 . . . . . . . 107 THR H . 50187 1 63 . 1 . 1 16 16 THR C C 13 174.355 0.000 . . . . . . . 107 THR C . 50187 1 64 . 1 . 1 16 16 THR CA C 13 64.901 0.000 . . . . . . . 107 THR CA . 50187 1 65 . 1 . 1 16 16 THR CB C 13 68.658 0.000 . . . . . . . 107 THR CB . 50187 1 66 . 1 . 1 16 16 THR N N 15 116.171 0.012 . . . . . . . 107 THR N . 50187 1 67 . 1 . 1 17 17 THR H H 1 7.167 0.000 . . . . . . . 108 THR H . 50187 1 68 . 1 . 1 17 17 THR C C 13 175.020 0.000 . . . . . . . 108 THR C . 50187 1 69 . 1 . 1 17 17 THR CA C 13 61.571 0.000 . . . . . . . 108 THR CA . 50187 1 70 . 1 . 1 17 17 THR CB C 13 68.827 0.000 . . . . . . . 108 THR CB . 50187 1 71 . 1 . 1 17 17 THR N N 15 106.869 0.019 . . . . . . . 108 THR N . 50187 1 72 . 1 . 1 18 18 ILE H H 1 7.014 0.000 . . . . . . . 109 ILE H . 50187 1 73 . 1 . 1 18 18 ILE C C 13 175.871 0.000 . . . . . . . 109 ILE C . 50187 1 74 . 1 . 1 18 18 ILE CA C 13 59.583 0.000 . . . . . . . 109 ILE CA . 50187 1 75 . 1 . 1 18 18 ILE CB C 13 37.469 0.000 . . . . . . . 109 ILE CB . 50187 1 76 . 1 . 1 18 18 ILE N N 15 121.351 0.013 . . . . . . . 109 ILE N . 50187 1 77 . 1 . 1 19 19 THR H H 1 9.135 0.003 . . . . . . . 110 THR H . 50187 1 78 . 1 . 1 19 19 THR C C 13 175.446 0.000 . . . . . . . 110 THR C . 50187 1 79 . 1 . 1 19 19 THR CA C 13 60.134 0.000 . . . . . . . 110 THR CA . 50187 1 80 . 1 . 1 19 19 THR CB C 13 72.307 0.000 . . . . . . . 110 THR CB . 50187 1 81 . 1 . 1 19 19 THR N N 15 118.782 0.004 . . . . . . . 110 THR N . 50187 1 82 . 1 . 1 20 20 GLU H H 1 9.331 0.001 . . . . . . . 111 GLU H . 50187 1 83 . 1 . 1 20 20 GLU C C 13 178.512 0.000 . . . . . . . 111 GLU C . 50187 1 84 . 1 . 1 20 20 GLU CA C 13 60.785 0.000 . . . . . . . 111 GLU CA . 50187 1 85 . 1 . 1 20 20 GLU CB C 13 30.087 0.000 . . . . . . . 111 GLU CB . 50187 1 86 . 1 . 1 20 20 GLU N N 15 121.168 0.011 . . . . . . . 111 GLU N . 50187 1 87 . 1 . 1 21 21 SER H H 1 8.352 0.001 . . . . . . . 112 SER H . 50187 1 88 . 1 . 1 21 21 SER C C 13 176.626 0.000 . . . . . . . 112 SER C . 50187 1 89 . 1 . 1 21 21 SER CA C 13 61.878 0.000 . . . . . . . 112 SER CA . 50187 1 90 . 1 . 1 21 21 SER CB C 13 62.299 0.000 . . . . . . . 112 SER CB . 50187 1 91 . 1 . 1 21 21 SER N N 15 113.794 0.022 . . . . . . . 112 SER N . 50187 1 92 . 1 . 1 22 22 ASP H H 1 7.700 0.001 . . . . . . . 113 ASP H . 50187 1 93 . 1 . 1 22 22 ASP C C 13 179.221 0.000 . . . . . . . 113 ASP C . 50187 1 94 . 1 . 1 22 22 ASP CA C 13 57.616 0.000 . . . . . . . 113 ASP CA . 50187 1 95 . 1 . 1 22 22 ASP CB C 13 41.186 0.000 . . . . . . . 113 ASP CB . 50187 1 96 . 1 . 1 22 22 ASP N N 15 122.023 0.013 . . . . . . . 113 ASP N . 50187 1 97 . 1 . 1 23 23 ILE H H 1 7.740 0.001 . . . . . . . 114 ILE H . 50187 1 98 . 1 . 1 23 23 ILE C C 13 177.391 0.000 . . . . . . . 114 ILE C . 50187 1 99 . 1 . 1 23 23 ILE CA C 13 64.428 0.000 . . . . . . . 114 ILE CA . 50187 1 100 . 1 . 1 23 23 ILE CB C 13 37.420 0.000 . . . . . . . 114 ILE CB . 50187 1 101 . 1 . 1 23 23 ILE N N 15 119.419 0.019 . . . . . . . 114 ILE N . 50187 1 102 . 1 . 1 24 24 ARG H H 1 8.246 0.001 . . . . . . . 115 ARG H . 50187 1 103 . 1 . 1 24 24 ARG C C 13 178.926 0.000 . . . . . . . 115 ARG C . 50187 1 104 . 1 . 1 24 24 ARG CA C 13 60.621 0.000 . . . . . . . 115 ARG CA . 50187 1 105 . 1 . 1 24 24 ARG CB C 13 29.762 0.000 . . . . . . . 115 ARG CB . 50187 1 106 . 1 . 1 24 24 ARG N N 15 120.157 0.023 . . . . . . . 115 ARG N . 50187 1 107 . 1 . 1 25 25 GLU H H 1 8.233 0.001 . . . . . . . 116 GLU H . 50187 1 108 . 1 . 1 25 25 GLU C C 13 179.580 0.000 . . . . . . . 116 GLU C . 50187 1 109 . 1 . 1 25 25 GLU CA C 13 59.476 0.000 . . . . . . . 116 GLU CA . 50187 1 110 . 1 . 1 25 25 GLU CB C 13 29.412 0.000 . . . . . . . 116 GLU CB . 50187 1 111 . 1 . 1 25 25 GLU N N 15 118.756 0.024 . . . . . . . 116 GLU N . 50187 1 112 . 1 . 1 26 26 MET H H 1 7.923 0.001 . . . . . . . 117 MET H . 50187 1 113 . 1 . 1 26 26 MET C C 13 178.757 0.000 . . . . . . . 117 MET C . 50187 1 114 . 1 . 1 26 26 MET CA C 13 58.606 0.000 . . . . . . . 117 MET CA . 50187 1 115 . 1 . 1 26 26 MET CB C 13 32.306 0.000 . . . . . . . 117 MET CB . 50187 1 116 . 1 . 1 26 26 MET N N 15 119.380 0.022 . . . . . . . 117 MET N . 50187 1 117 . 1 . 1 27 27 MET H H 1 8.063 0.001 . . . . . . . 118 MET H . 50187 1 118 . 1 . 1 27 27 MET C C 13 178.598 0.000 . . . . . . . 118 MET C . 50187 1 119 . 1 . 1 27 27 MET CA C 13 57.549 0.000 . . . . . . . 118 MET CA . 50187 1 120 . 1 . 1 27 27 MET CB C 13 31.707 0.000 . . . . . . . 118 MET CB . 50187 1 121 . 1 . 1 27 27 MET N N 15 117.251 0.024 . . . . . . . 118 MET N . 50187 1 122 . 1 . 1 28 28 GLU H H 1 7.840 0.001 . . . . . . . 119 GLU H . 50187 1 123 . 1 . 1 28 28 GLU C C 13 177.654 0.000 . . . . . . . 119 GLU C . 50187 1 124 . 1 . 1 28 28 GLU CA C 13 58.544 0.000 . . . . . . . 119 GLU CA . 50187 1 125 . 1 . 1 28 28 GLU CB C 13 29.572 0.000 . . . . . . . 119 GLU CB . 50187 1 126 . 1 . 1 28 28 GLU N N 15 118.914 0.010 . . . . . . . 119 GLU N . 50187 1 127 . 1 . 1 29 29 SER H H 1 7.719 0.001 . . . . . . . 120 SER H . 50187 1 128 . 1 . 1 29 29 SER C C 13 174.517 0.000 . . . . . . . 120 SER C . 50187 1 129 . 1 . 1 29 29 SER CA C 13 59.463 0.000 . . . . . . . 120 SER CA . 50187 1 130 . 1 . 1 29 29 SER CB C 13 63.890 0.000 . . . . . . . 120 SER CB . 50187 1 131 . 1 . 1 29 29 SER N N 15 112.979 0.025 . . . . . . . 120 SER N . 50187 1 132 . 1 . 1 30 30 PHE H H 1 7.574 0.001 . . . . . . . 121 PHE H . 50187 1 133 . 1 . 1 30 30 PHE C C 13 175.979 0.000 . . . . . . . 121 PHE C . 50187 1 134 . 1 . 1 30 30 PHE CA C 13 56.347 0.000 . . . . . . . 121 PHE CA . 50187 1 135 . 1 . 1 30 30 PHE CB C 13 38.879 0.000 . . . . . . . 121 PHE CB . 50187 1 136 . 1 . 1 30 30 PHE N N 15 122.345 0.019 . . . . . . . 121 PHE N . 50187 1 137 . 1 . 1 31 31 GLU H H 1 8.524 0.003 . . . . . . . 122 GLU H . 50187 1 138 . 1 . 1 31 31 GLU C C 13 176.095 0.000 . . . . . . . 122 GLU C . 50187 1 139 . 1 . 1 31 31 GLU CA C 13 56.409 0.000 . . . . . . . 122 GLU CA . 50187 1 140 . 1 . 1 31 31 GLU CB C 13 30.062 0.000 . . . . . . . 122 GLU CB . 50187 1 141 . 1 . 1 31 31 GLU N N 15 121.638 0.014 . . . . . . . 122 GLU N . 50187 1 142 . 1 . 1 32 32 GLY H H 1 8.102 0.001 . . . . . . . 123 GLY H . 50187 1 143 . 1 . 1 32 32 GLY N N 15 108.779 0.024 . . . . . . . 123 GLY N . 50187 1 144 . 1 . 1 33 33 PRO C C 13 175.949 0.000 . . . . . . . 124 PRO C . 50187 1 145 . 1 . 1 33 33 PRO CA C 13 63.016 0.000 . . . . . . . 124 PRO CA . 50187 1 146 . 1 . 1 33 33 PRO CB C 13 32.706 0.000 . . . . . . . 124 PRO CB . 50187 1 147 . 1 . 1 34 34 GLN H H 1 8.488 0.001 . . . . . . . 125 GLN H . 50187 1 148 . 1 . 1 34 34 GLN N N 15 120.248 0.018 . . . . . . . 125 GLN N . 50187 1 149 . 1 . 1 35 35 PRO C C 13 175.377 0.000 . . . . . . . 126 PRO C . 50187 1 150 . 1 . 1 35 35 PRO CA C 13 62.201 0.000 . . . . . . . 126 PRO CA . 50187 1 151 . 1 . 1 35 35 PRO CB C 13 31.681 0.000 . . . . . . . 126 PRO CB . 50187 1 152 . 1 . 1 36 36 ALA H H 1 8.585 0.001 . . . . . . . 127 ALA H . 50187 1 153 . 1 . 1 36 36 ALA C C 13 177.896 0.000 . . . . . . . 127 ALA C . 50187 1 154 . 1 . 1 36 36 ALA CA C 13 53.863 0.000 . . . . . . . 127 ALA CA . 50187 1 155 . 1 . 1 36 36 ALA CB C 13 18.032 0.000 . . . . . . . 127 ALA CB . 50187 1 156 . 1 . 1 36 36 ALA N N 15 123.691 0.020 . . . . . . . 127 ALA N . 50187 1 157 . 1 . 1 37 37 ASP H H 1 7.477 0.002 . . . . . . . 128 ASP H . 50187 1 158 . 1 . 1 37 37 ASP C C 13 173.700 0.000 . . . . . . . 128 ASP C . 50187 1 159 . 1 . 1 37 37 ASP CA C 13 53.639 0.000 . . . . . . . 128 ASP CA . 50187 1 160 . 1 . 1 37 37 ASP CB C 13 44.315 0.000 . . . . . . . 128 ASP CB . 50187 1 161 . 1 . 1 37 37 ASP N N 15 113.206 0.018 . . . . . . . 128 ASP N . 50187 1 162 . 1 . 1 38 38 VAL H H 1 7.891 0.002 . . . . . . . 129 VAL H . 50187 1 163 . 1 . 1 38 38 VAL C C 13 173.611 0.000 . . . . . . . 129 VAL C . 50187 1 164 . 1 . 1 38 38 VAL CA C 13 61.405 0.000 . . . . . . . 129 VAL CA . 50187 1 165 . 1 . 1 38 38 VAL CB C 13 35.001 0.000 . . . . . . . 129 VAL CB . 50187 1 166 . 1 . 1 38 38 VAL N N 15 121.852 0.016 . . . . . . . 129 VAL N . 50187 1 167 . 1 . 1 39 39 ARG H H 1 8.964 0.000 . . . . . . . 130 ARG H . 50187 1 168 . 1 . 1 39 39 ARG C C 13 174.827 0.000 . . . . . . . 130 ARG C . 50187 1 169 . 1 . 1 39 39 ARG CA C 13 54.051 0.000 . . . . . . . 130 ARG CA . 50187 1 170 . 1 . 1 39 39 ARG CB C 13 33.410 0.000 . . . . . . . 130 ARG CB . 50187 1 171 . 1 . 1 39 39 ARG N N 15 125.180 0.015 . . . . . . . 130 ARG N . 50187 1 172 . 1 . 1 40 40 LEU H H 1 9.497 0.002 . . . . . . . 131 LEU H . 50187 1 173 . 1 . 1 40 40 LEU C C 13 175.993 0.000 . . . . . . . 131 LEU C . 50187 1 174 . 1 . 1 40 40 LEU CA C 13 54.285 0.000 . . . . . . . 131 LEU CA . 50187 1 175 . 1 . 1 40 40 LEU CB C 13 44.577 0.000 . . . . . . . 131 LEU CB . 50187 1 176 . 1 . 1 40 40 LEU N N 15 127.555 0.011 . . . . . . . 131 LEU N . 50187 1 177 . 1 . 1 41 41 MET H H 1 8.198 0.002 . . . . . . . 132 MET H . 50187 1 178 . 1 . 1 41 41 MET C C 13 175.038 0.000 . . . . . . . 132 MET C . 50187 1 179 . 1 . 1 41 41 MET CA C 13 54.263 0.000 . . . . . . . 132 MET CA . 50187 1 180 . 1 . 1 41 41 MET CB C 13 31.984 0.000 . . . . . . . 132 MET CB . 50187 1 181 . 1 . 1 41 41 MET N N 15 125.240 0.015 . . . . . . . 132 MET N . 50187 1 182 . 1 . 1 42 42 LYS H H 1 8.509 0.001 . . . . . . . 133 LYS H . 50187 1 183 . 1 . 1 42 42 LYS C C 13 177.164 0.000 . . . . . . . 133 LYS C . 50187 1 184 . 1 . 1 42 42 LYS CA C 13 55.163 0.000 . . . . . . . 133 LYS CA . 50187 1 185 . 1 . 1 42 42 LYS CB C 13 36.154 0.000 . . . . . . . 133 LYS CB . 50187 1 186 . 1 . 1 42 42 LYS N N 15 121.691 0.034 . . . . . . . 133 LYS N . 50187 1 187 . 1 . 1 43 43 ARG H H 1 8.825 0.002 . . . . . . . 134 ARG H . 50187 1 188 . 1 . 1 43 43 ARG N N 15 120.467 0.011 . . . . . . . 134 ARG N . 50187 1 189 . 1 . 1 44 44 LYS C C 13 176.911 0.000 . . . . . . . 135 LYS C . 50187 1 190 . 1 . 1 44 44 LYS CA C 13 58.756 0.000 . . . . . . . 135 LYS CA . 50187 1 191 . 1 . 1 44 44 LYS CB C 13 32.479 0.000 . . . . . . . 135 LYS CB . 50187 1 192 . 1 . 1 45 45 THR H H 1 7.276 0.002 . . . . . . . 136 THR H . 50187 1 193 . 1 . 1 45 45 THR C C 13 175.383 0.000 . . . . . . . 136 THR C . 50187 1 194 . 1 . 1 45 45 THR CA C 13 61.555 0.000 . . . . . . . 136 THR CA . 50187 1 195 . 1 . 1 45 45 THR CB C 13 70.302 0.000 . . . . . . . 136 THR CB . 50187 1 196 . 1 . 1 45 45 THR N N 15 106.760 0.016 . . . . . . . 136 THR N . 50187 1 197 . 1 . 1 46 46 GLY H H 1 8.252 0.000 . . . . . . . 137 GLY H . 50187 1 198 . 1 . 1 46 46 GLY C C 13 173.593 0.000 . . . . . . . 137 GLY C . 50187 1 199 . 1 . 1 46 46 GLY CA C 13 44.923 0.000 . . . . . . . 137 GLY CA . 50187 1 200 . 1 . 1 46 46 GLY N N 15 109.546 0.025 . . . . . . . 137 GLY N . 50187 1 201 . 1 . 1 47 47 VAL H H 1 7.243 0.000 . . . . . . . 138 VAL H . 50187 1 202 . 1 . 1 47 47 VAL C C 13 175.807 0.000 . . . . . . . 138 VAL C . 50187 1 203 . 1 . 1 47 47 VAL CA C 13 62.291 0.000 . . . . . . . 138 VAL CA . 50187 1 204 . 1 . 1 47 47 VAL CB C 13 32.882 0.000 . . . . . . . 138 VAL CB . 50187 1 205 . 1 . 1 47 47 VAL N N 15 118.934 0.014 . . . . . . . 138 VAL N . 50187 1 206 . 1 . 1 48 48 SER H H 1 8.711 0.001 . . . . . . . 139 SER H . 50187 1 207 . 1 . 1 48 48 SER C C 13 175.371 0.000 . . . . . . . 139 SER C . 50187 1 208 . 1 . 1 48 48 SER CA C 13 58.370 0.000 . . . . . . . 139 SER CA . 50187 1 209 . 1 . 1 48 48 SER CB C 13 64.248 0.000 . . . . . . . 139 SER CB . 50187 1 210 . 1 . 1 48 48 SER N N 15 119.569 0.017 . . . . . . . 139 SER N . 50187 1 211 . 1 . 1 49 49 ARG H H 1 8.749 0.002 . . . . . . . 140 ARG H . 50187 1 212 . 1 . 1 49 49 ARG C C 13 176.982 0.000 . . . . . . . 140 ARG C . 50187 1 213 . 1 . 1 49 49 ARG CA C 13 56.439 0.000 . . . . . . . 140 ARG CA . 50187 1 214 . 1 . 1 49 49 ARG CB C 13 31.716 0.000 . . . . . . . 140 ARG CB . 50187 1 215 . 1 . 1 49 49 ARG N N 15 122.241 0.011 . . . . . . . 140 ARG N . 50187 1 216 . 1 . 1 50 50 GLY H H 1 8.980 0.002 . . . . . . . 141 GLY H . 50187 1 217 . 1 . 1 50 50 GLY C C 13 172.204 0.000 . . . . . . . 141 GLY C . 50187 1 218 . 1 . 1 50 50 GLY CA C 13 45.538 0.000 . . . . . . . 141 GLY CA . 50187 1 219 . 1 . 1 50 50 GLY N N 15 106.880 0.026 . . . . . . . 141 GLY N . 50187 1 220 . 1 . 1 51 51 PHE H H 1 7.299 0.003 . . . . . . . 142 PHE H . 50187 1 221 . 1 . 1 51 51 PHE C C 13 172.695 0.000 . . . . . . . 142 PHE C . 50187 1 222 . 1 . 1 51 51 PHE CA C 13 54.833 0.000 . . . . . . . 142 PHE CA . 50187 1 223 . 1 . 1 51 51 PHE CB C 13 41.994 0.000 . . . . . . . 142 PHE CB . 50187 1 224 . 1 . 1 51 51 PHE N N 15 114.294 0.022 . . . . . . . 142 PHE N . 50187 1 225 . 1 . 1 52 52 ALA H H 1 8.633 0.002 . . . . . . . 143 ALA H . 50187 1 226 . 1 . 1 52 52 ALA C C 13 174.576 0.000 . . . . . . . 143 ALA C . 50187 1 227 . 1 . 1 52 52 ALA CA C 13 49.785 0.000 . . . . . . . 143 ALA CA . 50187 1 228 . 1 . 1 52 52 ALA CB C 13 24.076 0.000 . . . . . . . 143 ALA CB . 50187 1 229 . 1 . 1 52 52 ALA N N 15 120.387 0.017 . . . . . . . 143 ALA N . 50187 1 230 . 1 . 1 53 53 PHE H H 1 9.078 0.001 . . . . . . . 144 PHE H . 50187 1 231 . 1 . 1 53 53 PHE C C 13 174.561 0.000 . . . . . . . 144 PHE C . 50187 1 232 . 1 . 1 53 53 PHE CA C 13 57.187 0.000 . . . . . . . 144 PHE CA . 50187 1 233 . 1 . 1 53 53 PHE CB C 13 42.393 0.000 . . . . . . . 144 PHE CB . 50187 1 234 . 1 . 1 53 53 PHE N N 15 118.265 0.006 . . . . . . . 144 PHE N . 50187 1 235 . 1 . 1 54 54 VAL H H 1 9.562 0.002 . . . . . . . 145 VAL H . 50187 1 236 . 1 . 1 54 54 VAL C C 13 173.343 0.000 . . . . . . . 145 VAL C . 50187 1 237 . 1 . 1 54 54 VAL CA C 13 61.179 0.000 . . . . . . . 145 VAL CA . 50187 1 238 . 1 . 1 54 54 VAL CB C 13 33.117 0.000 . . . . . . . 145 VAL CB . 50187 1 239 . 1 . 1 54 54 VAL N N 15 124.288 0.002 . . . . . . . 145 VAL N . 50187 1 240 . 1 . 1 55 55 GLU H H 1 8.345 0.001 . . . . . . . 146 GLU H . 50187 1 241 . 1 . 1 55 55 GLU C C 13 175.568 0.000 . . . . . . . 146 GLU C . 50187 1 242 . 1 . 1 55 55 GLU CA C 13 54.184 0.000 . . . . . . . 146 GLU CA . 50187 1 243 . 1 . 1 55 55 GLU CB C 13 32.807 0.000 . . . . . . . 146 GLU CB . 50187 1 244 . 1 . 1 55 55 GLU N N 15 126.005 0.011 . . . . . . . 146 GLU N . 50187 1 245 . 1 . 1 56 56 PHE H H 1 9.051 0.001 . . . . . . . 147 PHE H . 50187 1 246 . 1 . 1 56 56 PHE C C 13 175.765 0.000 . . . . . . . 147 PHE C . 50187 1 247 . 1 . 1 56 56 PHE CA C 13 58.271 0.000 . . . . . . . 147 PHE CA . 50187 1 248 . 1 . 1 56 56 PHE CB C 13 41.577 0.000 . . . . . . . 147 PHE CB . 50187 1 249 . 1 . 1 56 56 PHE N N 15 122.985 0.022 . . . . . . . 147 PHE N . 50187 1 250 . 1 . 1 57 57 TYR H H 1 9.791 0.003 . . . . . . . 148 TYR H . 50187 1 251 . 1 . 1 57 57 TYR C C 13 176.321 0.000 . . . . . . . 148 TYR C . 50187 1 252 . 1 . 1 57 57 TYR CA C 13 61.706 0.000 . . . . . . . 148 TYR CA . 50187 1 253 . 1 . 1 57 57 TYR CB C 13 38.791 0.000 . . . . . . . 148 TYR CB . 50187 1 254 . 1 . 1 57 57 TYR N N 15 118.757 0.011 . . . . . . . 148 TYR N . 50187 1 255 . 1 . 1 58 58 HIS H H 1 7.455 0.002 . . . . . . . 149 HIS H . 50187 1 256 . 1 . 1 58 58 HIS N N 15 110.878 0.016 . . . . . . . 149 HIS N . 50187 1 257 . 1 . 1 59 59 LEU C C 13 177.824 0.000 . . . . . . . 150 LEU C . 50187 1 258 . 1 . 1 59 59 LEU CA C 13 59.209 0.000 . . . . . . . 150 LEU CA . 50187 1 259 . 1 . 1 59 59 LEU CB C 13 42.055 0.000 . . . . . . . 150 LEU CB . 50187 1 260 . 1 . 1 60 60 GLN H H 1 9.255 0.001 . . . . . . . 151 GLN H . 50187 1 261 . 1 . 1 60 60 GLN C C 13 177.982 0.000 . . . . . . . 151 GLN C . 50187 1 262 . 1 . 1 60 60 GLN CA C 13 58.322 0.000 . . . . . . . 151 GLN CA . 50187 1 263 . 1 . 1 60 60 GLN CB C 13 27.809 0.000 . . . . . . . 151 GLN CB . 50187 1 264 . 1 . 1 60 60 GLN N N 15 115.723 0.016 . . . . . . . 151 GLN N . 50187 1 265 . 1 . 1 61 61 ASP H H 1 7.240 0.001 . . . . . . . 152 ASP H . 50187 1 266 . 1 . 1 61 61 ASP C C 13 176.418 0.000 . . . . . . . 152 ASP C . 50187 1 267 . 1 . 1 61 61 ASP CA C 13 56.622 0.000 . . . . . . . 152 ASP CA . 50187 1 268 . 1 . 1 61 61 ASP CB C 13 41.105 0.000 . . . . . . . 152 ASP CB . 50187 1 269 . 1 . 1 61 61 ASP N N 15 119.428 0.004 . . . . . . . 152 ASP N . 50187 1 270 . 1 . 1 62 62 ALA H H 1 6.958 0.001 . . . . . . . 153 ALA H . 50187 1 271 . 1 . 1 62 62 ALA C C 13 179.532 0.000 . . . . . . . 153 ALA C . 50187 1 272 . 1 . 1 62 62 ALA CA C 13 54.801 0.000 . . . . . . . 153 ALA CA . 50187 1 273 . 1 . 1 62 62 ALA CB C 13 20.420 0.000 . . . . . . . 153 ALA CB . 50187 1 274 . 1 . 1 62 62 ALA N N 15 122.258 0.017 . . . . . . . 153 ALA N . 50187 1 275 . 1 . 1 63 63 THR H H 1 8.598 0.001 . . . . . . . 154 THR H . 50187 1 276 . 1 . 1 63 63 THR C C 13 178.681 0.000 . . . . . . . 154 THR C . 50187 1 277 . 1 . 1 63 63 THR CA C 13 64.758 0.000 . . . . . . . 154 THR CA . 50187 1 278 . 1 . 1 63 63 THR CB C 13 68.479 0.000 . . . . . . . 154 THR CB . 50187 1 279 . 1 . 1 63 63 THR N N 15 109.542 0.024 . . . . . . . 154 THR N . 50187 1 280 . 1 . 1 64 64 SER H H 1 7.921 0.001 . . . . . . . 155 SER H . 50187 1 281 . 1 . 1 64 64 SER C C 13 177.007 0.000 . . . . . . . 155 SER C . 50187 1 282 . 1 . 1 64 64 SER CA C 13 62.068 0.000 . . . . . . . 155 SER CA . 50187 1 283 . 1 . 1 64 64 SER CB C 13 62.996 0.000 . . . . . . . 155 SER CB . 50187 1 284 . 1 . 1 64 64 SER N N 15 118.985 0.023 . . . . . . . 155 SER N . 50187 1 285 . 1 . 1 65 65 TRP H H 1 8.223 0.004 . . . . . . . 156 TRP H . 50187 1 286 . 1 . 1 65 65 TRP C C 13 179.109 0.000 . . . . . . . 156 TRP C . 50187 1 287 . 1 . 1 65 65 TRP CA C 13 62.803 0.000 . . . . . . . 156 TRP CA . 50187 1 288 . 1 . 1 65 65 TRP CB C 13 29.971 0.000 . . . . . . . 156 TRP CB . 50187 1 289 . 1 . 1 65 65 TRP N N 15 125.146 0.018 . . . . . . . 156 TRP N . 50187 1 290 . 1 . 1 66 66 MET H H 1 8.828 0.001 . . . . . . . 157 MET H . 50187 1 291 . 1 . 1 66 66 MET C C 13 178.421 0.000 . . . . . . . 157 MET C . 50187 1 292 . 1 . 1 66 66 MET CA C 13 58.713 0.000 . . . . . . . 157 MET CA . 50187 1 293 . 1 . 1 66 66 MET CB C 13 33.633 0.000 . . . . . . . 157 MET CB . 50187 1 294 . 1 . 1 66 66 MET N N 15 119.787 0.009 . . . . . . . 157 MET N . 50187 1 295 . 1 . 1 67 67 GLU H H 1 8.232 0.001 . . . . . . . 158 GLU H . 50187 1 296 . 1 . 1 67 67 GLU C C 13 179.158 0.000 . . . . . . . 158 GLU C . 50187 1 297 . 1 . 1 67 67 GLU CA C 13 59.047 0.000 . . . . . . . 158 GLU CA . 50187 1 298 . 1 . 1 67 67 GLU CB C 13 29.324 0.000 . . . . . . . 158 GLU CB . 50187 1 299 . 1 . 1 67 67 GLU N N 15 117.726 0.011 . . . . . . . 158 GLU N . 50187 1 300 . 1 . 1 68 68 ALA H H 1 7.663 0.001 . . . . . . . 159 ALA H . 50187 1 301 . 1 . 1 68 68 ALA C C 13 179.538 0.000 . . . . . . . 159 ALA C . 50187 1 302 . 1 . 1 68 68 ALA CA C 13 54.292 0.000 . . . . . . . 159 ALA CA . 50187 1 303 . 1 . 1 68 68 ALA CB C 13 19.142 0.000 . . . . . . . 159 ALA CB . 50187 1 304 . 1 . 1 68 68 ALA N N 15 118.513 0.025 . . . . . . . 159 ALA N . 50187 1 305 . 1 . 1 69 69 ASN H H 1 7.488 0.002 . . . . . . . 160 ASN H . 50187 1 306 . 1 . 1 69 69 ASN C C 13 175.421 0.000 . . . . . . . 160 ASN C . 50187 1 307 . 1 . 1 69 69 ASN CA C 13 54.277 0.000 . . . . . . . 160 ASN CA . 50187 1 308 . 1 . 1 69 69 ASN CB C 13 40.435 0.000 . . . . . . . 160 ASN CB . 50187 1 309 . 1 . 1 69 69 ASN N N 15 111.747 0.023 . . . . . . . 160 ASN N . 50187 1 310 . 1 . 1 70 70 GLN H H 1 8.191 0.001 . . . . . . . 161 GLN H . 50187 1 311 . 1 . 1 70 70 GLN C C 13 176.966 0.000 . . . . . . . 161 GLN C . 50187 1 312 . 1 . 1 70 70 GLN CA C 13 58.930 0.000 . . . . . . . 161 GLN CA . 50187 1 313 . 1 . 1 70 70 GLN CB C 13 27.683 0.000 . . . . . . . 161 GLN CB . 50187 1 314 . 1 . 1 70 70 GLN N N 15 120.581 0.005 . . . . . . . 161 GLN N . 50187 1 315 . 1 . 1 71 71 LYS H H 1 8.646 0.004 . . . . . . . 162 LYS H . 50187 1 316 . 1 . 1 71 71 LYS C C 13 176.608 0.000 . . . . . . . 162 LYS C . 50187 1 317 . 1 . 1 71 71 LYS CA C 13 57.440 0.000 . . . . . . . 162 LYS CA . 50187 1 318 . 1 . 1 71 71 LYS CB C 13 31.386 0.000 . . . . . . . 162 LYS CB . 50187 1 319 . 1 . 1 71 71 LYS N N 15 115.339 0.021 . . . . . . . 162 LYS N . 50187 1 320 . 1 . 1 72 72 LYS H H 1 7.686 0.002 . . . . . . . 163 LYS H . 50187 1 321 . 1 . 1 72 72 LYS C C 13 175.729 0.000 . . . . . . . 163 LYS C . 50187 1 322 . 1 . 1 72 72 LYS CA C 13 56.379 0.000 . . . . . . . 163 LYS CA . 50187 1 323 . 1 . 1 72 72 LYS CB C 13 34.856 0.000 . . . . . . . 163 LYS CB . 50187 1 324 . 1 . 1 72 72 LYS N N 15 117.977 0.023 . . . . . . . 163 LYS N . 50187 1 325 . 1 . 1 73 73 LEU H H 1 8.026 0.001 . . . . . . . 164 LEU H . 50187 1 326 . 1 . 1 73 73 LEU C C 13 174.792 0.000 . . . . . . . 164 LEU C . 50187 1 327 . 1 . 1 73 73 LEU CA C 13 55.510 0.000 . . . . . . . 164 LEU CA . 50187 1 328 . 1 . 1 73 73 LEU CB C 13 42.845 0.000 . . . . . . . 164 LEU CB . 50187 1 329 . 1 . 1 73 73 LEU N N 15 121.908 0.020 . . . . . . . 164 LEU N . 50187 1 330 . 1 . 1 74 74 VAL H H 1 8.194 0.002 . . . . . . . 165 VAL H . 50187 1 331 . 1 . 1 74 74 VAL C C 13 175.398 0.000 . . . . . . . 165 VAL C . 50187 1 332 . 1 . 1 74 74 VAL CA C 13 60.581 0.000 . . . . . . . 165 VAL CA . 50187 1 333 . 1 . 1 74 74 VAL CB C 13 33.907 0.000 . . . . . . . 165 VAL CB . 50187 1 334 . 1 . 1 74 74 VAL N N 15 127.979 0.030 . . . . . . . 165 VAL N . 50187 1 335 . 1 . 1 75 75 ILE H H 1 8.544 0.001 . . . . . . . 166 ILE H . 50187 1 336 . 1 . 1 75 75 ILE C C 13 175.156 0.000 . . . . . . . 166 ILE C . 50187 1 337 . 1 . 1 75 75 ILE CA C 13 60.200 0.000 . . . . . . . 166 ILE CA . 50187 1 338 . 1 . 1 75 75 ILE CB C 13 41.080 0.000 . . . . . . . 166 ILE CB . 50187 1 339 . 1 . 1 75 75 ILE N N 15 124.883 0.019 . . . . . . . 166 ILE N . 50187 1 340 . 1 . 1 76 76 GLN H H 1 9.524 0.001 . . . . . . . 167 GLN H . 50187 1 341 . 1 . 1 76 76 GLN C C 13 176.100 0.000 . . . . . . . 167 GLN C . 50187 1 342 . 1 . 1 76 76 GLN CA C 13 56.624 0.000 . . . . . . . 167 GLN CA . 50187 1 343 . 1 . 1 76 76 GLN CB C 13 26.642 0.000 . . . . . . . 167 GLN CB . 50187 1 344 . 1 . 1 76 76 GLN N N 15 127.047 0.014 . . . . . . . 167 GLN N . 50187 1 345 . 1 . 1 77 77 GLY H H 1 8.321 0.001 . . . . . . . 168 GLY H . 50187 1 346 . 1 . 1 77 77 GLY C C 13 173.655 0.000 . . . . . . . 168 GLY C . 50187 1 347 . 1 . 1 77 77 GLY CA C 13 45.411 0.000 . . . . . . . 168 GLY CA . 50187 1 348 . 1 . 1 77 77 GLY N N 15 102.804 0.022 . . . . . . . 168 GLY N . 50187 1 349 . 1 . 1 78 78 LYS H H 1 7.947 0.001 . . . . . . . 169 LYS H . 50187 1 350 . 1 . 1 78 78 LYS C C 13 175.492 0.000 . . . . . . . 169 LYS C . 50187 1 351 . 1 . 1 78 78 LYS CA C 13 54.247 0.000 . . . . . . . 169 LYS CA . 50187 1 352 . 1 . 1 78 78 LYS CB C 13 33.402 0.000 . . . . . . . 169 LYS CB . 50187 1 353 . 1 . 1 78 78 LYS N N 15 121.503 0.013 . . . . . . . 169 LYS N . 50187 1 354 . 1 . 1 79 79 HIS H H 1 8.978 0.001 . . . . . . . 170 HIS H . 50187 1 355 . 1 . 1 79 79 HIS C C 13 174.690 0.000 . . . . . . . 170 HIS C . 50187 1 356 . 1 . 1 79 79 HIS CA C 13 56.888 0.000 . . . . . . . 170 HIS CA . 50187 1 357 . 1 . 1 79 79 HIS CB C 13 28.762 0.000 . . . . . . . 170 HIS CB . 50187 1 358 . 1 . 1 79 79 HIS N N 15 122.791 0.008 . . . . . . . 170 HIS N . 50187 1 359 . 1 . 1 80 80 ILE H H 1 8.270 0.001 . . . . . . . 171 ILE H . 50187 1 360 . 1 . 1 80 80 ILE C C 13 174.833 0.000 . . . . . . . 171 ILE C . 50187 1 361 . 1 . 1 80 80 ILE CA C 13 58.141 0.000 . . . . . . . 171 ILE CA . 50187 1 362 . 1 . 1 80 80 ILE CB C 13 37.136 0.000 . . . . . . . 171 ILE CB . 50187 1 363 . 1 . 1 80 80 ILE N N 15 126.979 0.006 . . . . . . . 171 ILE N . 50187 1 364 . 1 . 1 81 81 ALA H H 1 8.262 0.001 . . . . . . . 172 ALA H . 50187 1 365 . 1 . 1 81 81 ALA C C 13 176.173 0.000 . . . . . . . 172 ALA C . 50187 1 366 . 1 . 1 81 81 ALA CA C 13 51.691 0.000 . . . . . . . 172 ALA CA . 50187 1 367 . 1 . 1 81 81 ALA CB C 13 20.661 0.000 . . . . . . . 172 ALA CB . 50187 1 368 . 1 . 1 81 81 ALA N N 15 130.351 0.010 . . . . . . . 172 ALA N . 50187 1 369 . 1 . 1 82 82 MET H H 1 8.212 0.002 . . . . . . . 173 MET H . 50187 1 370 . 1 . 1 82 82 MET C C 13 174.656 0.000 . . . . . . . 173 MET C . 50187 1 371 . 1 . 1 82 82 MET CA C 13 54.359 0.000 . . . . . . . 173 MET CA . 50187 1 372 . 1 . 1 82 82 MET CB C 13 36.790 0.000 . . . . . . . 173 MET CB . 50187 1 373 . 1 . 1 82 82 MET N N 15 117.917 0.015 . . . . . . . 173 MET N . 50187 1 374 . 1 . 1 83 83 HIS H H 1 8.424 0.002 . . . . . . . 174 HIS H . 50187 1 375 . 1 . 1 83 83 HIS C C 13 174.381 0.000 . . . . . . . 174 HIS C . 50187 1 376 . 1 . 1 83 83 HIS CA C 13 54.305 0.000 . . . . . . . 174 HIS CA . 50187 1 377 . 1 . 1 83 83 HIS CB C 13 32.974 0.000 . . . . . . . 174 HIS CB . 50187 1 378 . 1 . 1 83 83 HIS N N 15 116.859 0.024 . . . . . . . 174 HIS N . 50187 1 379 . 1 . 1 84 84 TYR H H 1 8.902 0.001 . . . . . . . 175 TYR H . 50187 1 380 . 1 . 1 84 84 TYR C C 13 176.249 0.000 . . . . . . . 175 TYR C . 50187 1 381 . 1 . 1 84 84 TYR CA C 13 60.039 0.000 . . . . . . . 175 TYR CA . 50187 1 382 . 1 . 1 84 84 TYR CB C 13 39.671 0.000 . . . . . . . 175 TYR CB . 50187 1 383 . 1 . 1 84 84 TYR N N 15 122.735 0.016 . . . . . . . 175 TYR N . 50187 1 384 . 1 . 1 85 85 SER H H 1 8.709 0.001 . . . . . . . 176 SER H . 50187 1 385 . 1 . 1 85 85 SER C C 13 172.994 0.000 . . . . . . . 176 SER C . 50187 1 386 . 1 . 1 85 85 SER CA C 13 56.582 0.000 . . . . . . . 176 SER CA . 50187 1 387 . 1 . 1 85 85 SER CB C 13 65.921 0.000 . . . . . . . 176 SER CB . 50187 1 388 . 1 . 1 85 85 SER N N 15 114.295 0.024 . . . . . . . 176 SER N . 50187 1 389 . 1 . 1 86 86 ASN H H 1 9.388 0.004 . . . . . . . 177 ASN H . 50187 1 390 . 1 . 1 86 86 ASN N N 15 125.775 0.044 . . . . . . . 177 ASN N . 50187 1 391 . 1 . 1 87 87 PRO C C 13 177.500 0.000 . . . . . . . 178 PRO C . 50187 1 392 . 1 . 1 87 87 PRO CA C 13 63.836 0.000 . . . . . . . 178 PRO CA . 50187 1 393 . 1 . 1 87 87 PRO CB C 13 32.706 0.000 . . . . . . . 178 PRO CB . 50187 1 394 . 1 . 1 88 88 ARG H H 1 9.084 0.002 . . . . . . . 179 ARG H . 50187 1 395 . 1 . 1 88 88 ARG N N 15 125.004 0.017 . . . . . . . 179 ARG N . 50187 1 396 . 1 . 1 89 89 PRO C C 13 177.590 0.000 . . . . . . . 180 PRO C . 50187 1 397 . 1 . 1 89 89 PRO CA C 13 62.496 0.000 . . . . . . . 180 PRO CA . 50187 1 398 . 1 . 1 89 89 PRO CB C 13 31.777 0.000 . . . . . . . 180 PRO CB . 50187 1 399 . 1 . 1 90 90 LYS H H 1 8.513 0.001 . . . . . . . 181 LYS H . 50187 1 400 . 1 . 1 90 90 LYS C C 13 176.944 0.000 . . . . . . . 181 LYS C . 50187 1 401 . 1 . 1 90 90 LYS CA C 13 57.986 0.000 . . . . . . . 181 LYS CA . 50187 1 402 . 1 . 1 90 90 LYS CB C 13 32.618 0.000 . . . . . . . 181 LYS CB . 50187 1 403 . 1 . 1 90 90 LYS N N 15 122.921 0.019 . . . . . . . 181 LYS N . 50187 1 404 . 1 . 1 91 91 PHE H H 1 8.613 0.002 . . . . . . . 182 PHE H . 50187 1 405 . 1 . 1 91 91 PHE C C 13 174.607 0.000 . . . . . . . 182 PHE C . 50187 1 406 . 1 . 1 91 91 PHE CA C 13 57.528 0.000 . . . . . . . 182 PHE CA . 50187 1 407 . 1 . 1 91 91 PHE CB C 13 37.863 0.000 . . . . . . . 182 PHE CB . 50187 1 408 . 1 . 1 91 91 PHE N N 15 117.482 0.019 . . . . . . . 182 PHE N . 50187 1 409 . 1 . 1 92 92 GLU H H 1 7.121 0.004 . . . . . . . 183 GLU H . 50187 1 410 . 1 . 1 92 92 GLU C C 13 175.992 0.000 . . . . . . . 183 GLU C . 50187 1 411 . 1 . 1 92 92 GLU CA C 13 55.004 0.000 . . . . . . . 183 GLU CA . 50187 1 412 . 1 . 1 92 92 GLU CB C 13 33.570 0.000 . . . . . . . 183 GLU CB . 50187 1 413 . 1 . 1 92 92 GLU N N 15 116.555 0.020 . . . . . . . 183 GLU N . 50187 1 414 . 1 . 1 93 93 ASP H H 1 8.523 0.001 . . . . . . . 184 ASP H . 50187 1 415 . 1 . 1 93 93 ASP C C 13 174.542 0.000 . . . . . . . 184 ASP C . 50187 1 416 . 1 . 1 93 93 ASP CA C 13 55.710 0.000 . . . . . . . 184 ASP CA . 50187 1 417 . 1 . 1 93 93 ASP CB C 13 41.124 0.000 . . . . . . . 184 ASP CB . 50187 1 418 . 1 . 1 93 93 ASP N N 15 123.390 0.014 . . . . . . . 184 ASP N . 50187 1 419 . 1 . 1 94 94 TRP H H 1 8.285 0.001 . . . . . . . 185 TRP H . 50187 1 420 . 1 . 1 94 94 TRP C C 13 174.078 0.000 . . . . . . . 185 TRP C . 50187 1 421 . 1 . 1 94 94 TRP CA C 13 53.307 0.000 . . . . . . . 185 TRP CA . 50187 1 422 . 1 . 1 94 94 TRP CB C 13 31.104 0.000 . . . . . . . 185 TRP CB . 50187 1 423 . 1 . 1 94 94 TRP N N 15 115.871 0.012 . . . . . . . 185 TRP N . 50187 1 424 . 1 . 1 94 94 TRP NE1 N 15 129.076 0.000 . . . . . . . 185 TRP NE1 . 50187 1 425 . 1 . 1 95 95 LEU H H 1 9.561 0.004 . . . . . . . 186 LEU H . 50187 1 426 . 1 . 1 95 95 LEU C C 13 178.315 0.000 . . . . . . . 186 LEU C . 50187 1 427 . 1 . 1 95 95 LEU CA C 13 53.401 0.000 . . . . . . . 186 LEU CA . 50187 1 428 . 1 . 1 95 95 LEU CB C 13 43.151 0.000 . . . . . . . 186 LEU CB . 50187 1 429 . 1 . 1 95 95 LEU N N 15 122.135 0.014 . . . . . . . 186 LEU N . 50187 1 430 . 1 . 1 96 96 CYS H H 1 8.845 0.002 . . . . . . . 187 CYS H . 50187 1 431 . 1 . 1 96 96 CYS C C 13 177.397 0.000 . . . . . . . 187 CYS C . 50187 1 432 . 1 . 1 96 96 CYS CA C 13 60.505 0.000 . . . . . . . 187 CYS CA . 50187 1 433 . 1 . 1 96 96 CYS CB C 13 31.612 0.000 . . . . . . . 187 CYS CB . 50187 1 434 . 1 . 1 96 96 CYS N N 15 130.391 0.020 . . . . . . . 187 CYS N . 50187 1 435 . 1 . 1 97 97 ASN H H 1 9.149 0.001 . . . . . . . 188 ASN H . 50187 1 436 . 1 . 1 97 97 ASN C C 13 175.720 0.000 . . . . . . . 188 ASN C . 50187 1 437 . 1 . 1 97 97 ASN CA C 13 55.282 0.000 . . . . . . . 188 ASN CA . 50187 1 438 . 1 . 1 97 97 ASN CB C 13 38.520 0.000 . . . . . . . 188 ASN CB . 50187 1 439 . 1 . 1 97 97 ASN N N 15 126.947 0.012 . . . . . . . 188 ASN N . 50187 1 440 . 1 . 1 98 98 LYS H H 1 9.627 0.002 . . . . . . . 189 LYS H . 50187 1 441 . 1 . 1 98 98 LYS C C 13 177.993 0.000 . . . . . . . 189 LYS C . 50187 1 442 . 1 . 1 98 98 LYS CA C 13 57.114 0.000 . . . . . . . 189 LYS CA . 50187 1 443 . 1 . 1 98 98 LYS CB C 13 32.807 0.000 . . . . . . . 189 LYS CB . 50187 1 444 . 1 . 1 98 98 LYS N N 15 122.719 0.030 . . . . . . . 189 LYS N . 50187 1 445 . 1 . 1 99 99 CYS H H 1 9.104 0.002 . . . . . . . 190 CYS H . 50187 1 446 . 1 . 1 99 99 CYS C C 13 176.853 0.000 . . . . . . . 190 CYS C . 50187 1 447 . 1 . 1 99 99 CYS CA C 13 58.863 0.000 . . . . . . . 190 CYS CA . 50187 1 448 . 1 . 1 99 99 CYS CB C 13 32.240 0.000 . . . . . . . 190 CYS CB . 50187 1 449 . 1 . 1 99 99 CYS N N 15 120.272 0.013 . . . . . . . 190 CYS N . 50187 1 450 . 1 . 1 100 100 CYS H H 1 7.666 0.002 . . . . . . . 191 CYS H . 50187 1 451 . 1 . 1 100 100 CYS C C 13 173.072 0.000 . . . . . . . 191 CYS C . 50187 1 452 . 1 . 1 100 100 CYS CA C 13 58.982 0.000 . . . . . . . 191 CYS CA . 50187 1 453 . 1 . 1 100 100 CYS CB C 13 38.056 0.000 . . . . . . . 191 CYS CB . 50187 1 454 . 1 . 1 100 100 CYS N N 15 116.432 0.017 . . . . . . . 191 CYS N . 50187 1 455 . 1 . 1 101 101 LEU H H 1 8.197 0.001 . . . . . . . 192 LEU H . 50187 1 456 . 1 . 1 101 101 LEU C C 13 177.069 0.000 . . . . . . . 192 LEU C . 50187 1 457 . 1 . 1 101 101 LEU CA C 13 56.300 0.000 . . . . . . . 192 LEU CA . 50187 1 458 . 1 . 1 101 101 LEU CB C 13 43.090 0.000 . . . . . . . 192 LEU CB . 50187 1 459 . 1 . 1 101 101 LEU N N 15 122.424 0.020 . . . . . . . 192 LEU N . 50187 1 460 . 1 . 1 102 102 ASN H H 1 8.618 0.001 . . . . . . . 193 ASN H . 50187 1 461 . 1 . 1 102 102 ASN C C 13 173.742 0.000 . . . . . . . 193 ASN C . 50187 1 462 . 1 . 1 102 102 ASN CA C 13 54.419 0.000 . . . . . . . 193 ASN CA . 50187 1 463 . 1 . 1 102 102 ASN CB C 13 39.214 0.000 . . . . . . . 193 ASN CB . 50187 1 464 . 1 . 1 102 102 ASN N N 15 124.914 0.016 . . . . . . . 193 ASN N . 50187 1 465 . 1 . 1 103 103 ASN H H 1 9.077 0.001 . . . . . . . 194 ASN H . 50187 1 466 . 1 . 1 103 103 ASN C C 13 172.625 0.000 . . . . . . . 194 ASN C . 50187 1 467 . 1 . 1 103 103 ASN CA C 13 52.380 0.000 . . . . . . . 194 ASN CA . 50187 1 468 . 1 . 1 103 103 ASN CB C 13 43.006 0.000 . . . . . . . 194 ASN CB . 50187 1 469 . 1 . 1 103 103 ASN N N 15 126.371 0.007 . . . . . . . 194 ASN N . 50187 1 470 . 1 . 1 104 104 PHE H H 1 7.870 0.001 . . . . . . . 195 PHE H . 50187 1 471 . 1 . 1 104 104 PHE C C 13 177.272 0.000 . . . . . . . 195 PHE C . 50187 1 472 . 1 . 1 104 104 PHE CA C 13 56.968 0.000 . . . . . . . 195 PHE CA . 50187 1 473 . 1 . 1 104 104 PHE CB C 13 40.002 0.000 . . . . . . . 195 PHE CB . 50187 1 474 . 1 . 1 104 104 PHE N N 15 119.226 0.015 . . . . . . . 195 PHE N . 50187 1 475 . 1 . 1 105 105 ARG H H 1 8.108 0.001 . . . . . . . 196 ARG H . 50187 1 476 . 1 . 1 105 105 ARG N N 15 123.168 0.017 . . . . . . . 196 ARG N . 50187 1 477 . 1 . 1 106 106 LYS C C 13 177.166 0.000 . . . . . . . 197 LYS C . 50187 1 478 . 1 . 1 106 106 LYS CA C 13 57.211 0.000 . . . . . . . 197 LYS CA . 50187 1 479 . 1 . 1 106 106 LYS CB C 13 32.818 0.000 . . . . . . . 197 LYS CB . 50187 1 480 . 1 . 1 107 107 ARG H H 1 8.549 0.002 . . . . . . . 198 ARG H . 50187 1 481 . 1 . 1 107 107 ARG C C 13 177.407 0.000 . . . . . . . 198 ARG C . 50187 1 482 . 1 . 1 107 107 ARG CA C 13 57.808 0.000 . . . . . . . 198 ARG CA . 50187 1 483 . 1 . 1 107 107 ARG CB C 13 31.247 0.000 . . . . . . . 198 ARG CB . 50187 1 484 . 1 . 1 107 107 ARG N N 15 118.961 0.012 . . . . . . . 198 ARG N . 50187 1 485 . 1 . 1 108 108 LEU H H 1 9.127 0.001 . . . . . . . 199 LEU H . 50187 1 486 . 1 . 1 108 108 LEU C C 13 175.930 0.000 . . . . . . . 199 LEU C . 50187 1 487 . 1 . 1 108 108 LEU CA C 13 55.379 0.000 . . . . . . . 199 LEU CA . 50187 1 488 . 1 . 1 108 108 LEU CB C 13 43.497 0.000 . . . . . . . 199 LEU CB . 50187 1 489 . 1 . 1 108 108 LEU N N 15 123.368 0.015 . . . . . . . 199 LEU N . 50187 1 490 . 1 . 1 109 109 LYS H H 1 7.755 0.001 . . . . . . . 200 LYS H . 50187 1 491 . 1 . 1 109 109 LYS C C 13 176.172 0.000 . . . . . . . 200 LYS C . 50187 1 492 . 1 . 1 109 109 LYS CA C 13 52.976 0.000 . . . . . . . 200 LYS CA . 50187 1 493 . 1 . 1 109 109 LYS CB C 13 35.908 0.000 . . . . . . . 200 LYS CB . 50187 1 494 . 1 . 1 109 109 LYS N N 15 117.170 0.012 . . . . . . . 200 LYS N . 50187 1 495 . 1 . 1 110 110 CYS H H 1 9.888 0.001 . . . . . . . 201 CYS H . 50187 1 496 . 1 . 1 110 110 CYS C C 13 178.521 0.000 . . . . . . . 201 CYS C . 50187 1 497 . 1 . 1 110 110 CYS CA C 13 59.129 0.000 . . . . . . . 201 CYS CA . 50187 1 498 . 1 . 1 110 110 CYS CB C 13 31.187 0.000 . . . . . . . 201 CYS CB . 50187 1 499 . 1 . 1 110 110 CYS N N 15 126.386 0.007 . . . . . . . 201 CYS N . 50187 1 500 . 1 . 1 111 111 PHE H H 1 9.328 0.001 . . . . . . . 202 PHE H . 50187 1 501 . 1 . 1 111 111 PHE C C 13 174.650 0.000 . . . . . . . 202 PHE C . 50187 1 502 . 1 . 1 111 111 PHE CA C 13 60.437 0.000 . . . . . . . 202 PHE CA . 50187 1 503 . 1 . 1 111 111 PHE CB C 13 40.499 0.000 . . . . . . . 202 PHE CB . 50187 1 504 . 1 . 1 111 111 PHE N N 15 131.871 0.009 . . . . . . . 202 PHE N . 50187 1 505 . 1 . 1 112 112 ARG H H 1 8.950 0.001 . . . . . . . 203 ARG H . 50187 1 506 . 1 . 1 112 112 ARG C C 13 176.785 0.000 . . . . . . . 203 ARG C . 50187 1 507 . 1 . 1 112 112 ARG CA C 13 58.119 0.000 . . . . . . . 203 ARG CA . 50187 1 508 . 1 . 1 112 112 ARG CB C 13 32.932 0.000 . . . . . . . 203 ARG CB . 50187 1 509 . 1 . 1 112 112 ARG N N 15 120.985 0.025 . . . . . . . 203 ARG N . 50187 1 510 . 1 . 1 113 113 CYS H H 1 8.517 0.001 . . . . . . . 204 CYS H . 50187 1 511 . 1 . 1 113 113 CYS C C 13 177.264 0.000 . . . . . . . 204 CYS C . 50187 1 512 . 1 . 1 113 113 CYS CA C 13 58.979 0.000 . . . . . . . 204 CYS CA . 50187 1 513 . 1 . 1 113 113 CYS CB C 13 32.683 0.000 . . . . . . . 204 CYS CB . 50187 1 514 . 1 . 1 113 113 CYS N N 15 118.589 0.021 . . . . . . . 204 CYS N . 50187 1 515 . 1 . 1 114 114 GLY H H 1 7.699 0.002 . . . . . . . 205 GLY H . 50187 1 516 . 1 . 1 114 114 GLY C C 13 173.249 0.000 . . . . . . . 205 GLY C . 50187 1 517 . 1 . 1 114 114 GLY CA C 13 46.235 0.000 . . . . . . . 205 GLY CA . 50187 1 518 . 1 . 1 114 114 GLY N N 15 112.277 0.022 . . . . . . . 205 GLY N . 50187 1 519 . 1 . 1 115 115 ALA H H 1 8.990 0.001 . . . . . . . 206 ALA H . 50187 1 520 . 1 . 1 115 115 ALA C C 13 177.209 0.000 . . . . . . . 206 ALA C . 50187 1 521 . 1 . 1 115 115 ALA CA C 13 53.346 0.000 . . . . . . . 206 ALA CA . 50187 1 522 . 1 . 1 115 115 ALA CB C 13 20.644 0.000 . . . . . . . 206 ALA CB . 50187 1 523 . 1 . 1 115 115 ALA N N 15 125.891 0.005 . . . . . . . 206 ALA N . 50187 1 524 . 1 . 1 116 116 ASP H H 1 8.755 0.001 . . . . . . . 207 ASP H . 50187 1 525 . 1 . 1 116 116 ASP C C 13 176.506 0.000 . . . . . . . 207 ASP C . 50187 1 526 . 1 . 1 116 116 ASP CA C 13 55.216 0.000 . . . . . . . 207 ASP CA . 50187 1 527 . 1 . 1 116 116 ASP CB C 13 44.060 0.000 . . . . . . . 207 ASP CB . 50187 1 528 . 1 . 1 116 116 ASP N N 15 121.600 0.011 . . . . . . . 207 ASP N . 50187 1 529 . 1 . 1 117 117 LYS H H 1 7.581 0.001 . . . . . . . 208 LYS H . 50187 1 530 . 1 . 1 117 117 LYS C C 13 175.741 0.000 . . . . . . . 208 LYS C . 50187 1 531 . 1 . 1 117 117 LYS CA C 13 58.712 0.000 . . . . . . . 208 LYS CA . 50187 1 532 . 1 . 1 117 117 LYS CB C 13 32.970 0.000 . . . . . . . 208 LYS CB . 50187 1 533 . 1 . 1 117 117 LYS N N 15 124.804 0.005 . . . . . . . 208 LYS N . 50187 1 534 . 1 . 1 118 118 PHE H H 1 8.598 0.001 . . . . . . . 209 PHE H . 50187 1 535 . 1 . 1 118 118 PHE C C 13 175.086 0.000 . . . . . . . 209 PHE C . 50187 1 536 . 1 . 1 118 118 PHE CA C 13 56.723 0.000 . . . . . . . 209 PHE CA . 50187 1 537 . 1 . 1 118 118 PHE CB C 13 38.255 0.000 . . . . . . . 209 PHE CB . 50187 1 538 . 1 . 1 118 118 PHE N N 15 115.931 0.030 . . . . . . . 209 PHE N . 50187 1 539 . 1 . 1 119 119 ASP H H 1 7.378 0.001 . . . . . . . 210 ASP H . 50187 1 540 . 1 . 1 119 119 ASP N N 15 125.427 0.009 . . . . . . . 210 ASP N . 50187 1 stop_ save_