data_7124 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 7124 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID . . 'Structure analysis' . 7124 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7124 _Entry.Title ; Solution Structure of MID1 B-box2 domain: A defining domain in TRIM/RBCC proteins reveals possible versatility in zinc-coordination ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-05-19 _Entry.Accession_date 2006-05-19 _Entry.Last_release_date 2006-11-13 _Entry.Original_release_date 2006-11-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Jessica Matts . A.B. . 7124 2 Kieran Short . M. . 7124 3 Brandi Simmons . N. . 7124 4 Suryaparkash Singireddy . . . 7124 5 Julie Zou . . . 7124 6 Timothy Cox . C. . 7124 7 Michael Massiah . A. . 7124 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . 'Oklahoma State University' . 7124 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7124 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 124 7124 '15N chemical shifts' 47 7124 '1H chemical shifts' 282 7124 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2006-11-13 2006-05-19 original author . 7124 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DQ5 'BMRB Entry Tracking System' 7124 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7124 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16529770 _Citation.Full_citation . _Citation.Title 'Solution structure of the RBCC/TRIM B-box1 domain of human MID1: B-box with a RING.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 358 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 532 _Citation.Page_last 545 _Citation.Year 2006 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Michael Massiah . A. . 7124 1 2 Brandi Simmons . N. . 7124 1 3 Kieran Short . M. . 7124 1 4 Timothy Cox . C. . 7124 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID B-box2 7124 1 Midline-1 7124 1 structure 7124 1 TRIM 7124 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7124 _Assembly.ID 1 _Assembly.Name 'B-box2 monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 1 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'free and other bound' _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 'B-box2 monomer' 1 $MID1_B-box2_domain . . yes native no no . . . 7124 1 2 'ZINC (II) ION, 1' 2 $ZN . . no native no no diamagnetic 'structural zinc' . 7124 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'E3 ligase' 7124 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MID1_B-box2_domain _Entity.Sf_category entity _Entity.Sf_framecode MID1_B-box2_domain _Entity.Entry_ID 7124 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name B-box2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SHIRGLMCLEHEDEKVNMYC VTDDQLICALCKLVGRHRDH QVAALSE ; _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 47 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and other bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 2DQ5 . "Solution Structure Of The Mid1 B Box2 Chc(DC)C2H2 ZINC- Binding Domain: Insights Into An Evolutionary Conserved Ring Fold" . . . . . 100.00 47 100.00 100.00 9.89e-25 . . . . 7124 1 2 no PDB 2JUN . "Structure Of The Mid1 Tandem B-Boxes Reveals An Interaction Reminiscent Of Intermolecular Ring Heterodimers" . . . . . 100.00 101 100.00 100.00 1.35e-24 . . . . 7124 1 3 no DBJ BAE22636 . "unnamed protein product [Mus musculus]" . . . . . 100.00 260 100.00 100.00 6.08e-24 . . . . 7124 1 4 no DBJ BAF83904 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 667 100.00 100.00 9.74e-23 . . . . 7124 1 5 no DBJ BAG37559 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 552 100.00 100.00 1.74e-23 . . . . 7124 1 6 no EMBL CAA74018 . "putative transcription factor XPRF [Homo sapiens]" . . . . . 100.00 667 100.00 100.00 1.02e-22 . . . . 7124 1 7 no EMBL CAA75113 . "midline 1 protein [Mus musculus]" . . . . . 100.00 680 100.00 100.00 4.82e-23 . . . . 7124 1 8 no GB AAB83986 . "ring finger protein [Mus musculus]" . . . . . 100.00 667 97.87 97.87 1.18e-21 . . . . 7124 1 9 no GB AAB99951 . "ring finger protein [Homo sapiens]" . . . . . 100.00 667 100.00 100.00 1.02e-22 . . . . 7124 1 10 no GB AAC32998 . "midline 1 cerebellar isoform 1 [Homo sapiens]" . . . . . 100.00 484 100.00 100.00 1.16e-23 . . . . 7124 1 11 no GB AAC32999 . "midline 1 cerebellar isoform 2 [Homo sapiens]" . . . . . 100.00 228 100.00 100.00 5.70e-24 . . . . 7124 1 12 no GB AAC33000 . "midline 1 fetal kidney isoform 1 [Homo sapiens]" . . . . . 100.00 667 100.00 100.00 1.02e-22 . . . . 7124 1 13 no REF NP_000372 . "E3 ubiquitin-protein ligase Midline-1 isoform 1 [Homo sapiens]" . . . . . 100.00 667 100.00 100.00 1.02e-22 . . . . 7124 1 14 no REF NP_001092094 . "E3 ubiquitin-protein ligase Midline-1 isoform 1 [Homo sapiens]" . . . . . 100.00 667 100.00 100.00 1.02e-22 . . . . 7124 1 15 no REF NP_001179751 . "E3 ubiquitin-protein ligase Midline-1 [Bos taurus]" . . . . . 100.00 667 100.00 100.00 1.19e-22 . . . . 7124 1 16 no REF NP_001180206 . "E3 ubiquitin-protein ligase Midline-1 isoform 1 [Homo sapiens]" . . . . . 100.00 667 100.00 100.00 1.02e-22 . . . . 7124 1 17 no REF NP_001180207 . "E3 ubiquitin-protein ligase Midline-1 isoform 3 [Homo sapiens]" . . . . . 100.00 540 100.00 100.00 1.67e-23 . . . . 7124 1 18 no SP O15344 . "RecName: Full=E3 ubiquitin-protein ligase Midline-1; AltName: Full=Midin; AltName: Full=Putative transcription factor XPRF; Alt" . . . . . 100.00 667 100.00 100.00 1.02e-22 . . . . 7124 1 19 no SP O70583 . "RecName: Full=E3 ubiquitin-protein ligase Midline-1; AltName: Full=Midin; AltName: Full=RING finger protein Midline-1; AltName:" . . . . . 100.00 680 100.00 100.00 4.63e-23 . . . . 7124 1 20 no SP P82457 . "RecName: Full=E3 ubiquitin-protein ligase Midline-1; AltName: Full=RING finger protein Midline-1; AltName: Full=Tripartite moti" . . . . . 100.00 667 100.00 100.00 1.08e-22 . . . . 7124 1 21 no SP P82458 . "RecName: Full=E3 ubiquitin-protein ligase Midline-1; AltName: Full=RING finger protein Midline-1; AltName: Full=Tripartite moti" . . . . . 100.00 667 100.00 100.00 9.74e-23 . . . . 7124 1 22 no TPG DAA12559 . "TPA: midline 1 (Opitz/BBB syndrome) isoform 1 [Bos taurus]" . . . . . 100.00 667 100.00 100.00 1.19e-22 . . . . 7124 1 23 no TPG DAA12560 . "TPA: midline 1 (Opitz/BBB syndrome) isoform 2 [Bos taurus]" . . . . . 100.00 667 100.00 100.00 1.19e-22 . . . . 7124 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'E3 ligase' 7124 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID BBOX2 . 7124 1 stop_ loop_ _Entity_keyword.Keyword _Entity_keyword.Entry_ID _Entity_keyword.Entity_ID 'E3 ligase' 7124 1 'RING like' 7124 1 TRIM/RBCC 7124 1 'Zinc finger' 7124 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 1 168 SER . 7124 1 2 169 HIS . 7124 1 3 170 ILE . 7124 1 4 171 ARG . 7124 1 5 172 GLY . 7124 1 6 173 LEU . 7124 1 7 174 MET . 7124 1 8 175 CYS . 7124 1 9 176 LEU . 7124 1 10 177 GLU . 7124 1 11 178 HIS . 7124 1 12 179 GLU . 7124 1 13 180 ASP . 7124 1 14 181 GLU . 7124 1 15 182 LYS . 7124 1 16 183 VAL . 7124 1 17 184 ASN . 7124 1 18 185 MET . 7124 1 19 186 TYR . 7124 1 20 187 CYS . 7124 1 21 188 VAL . 7124 1 22 189 THR . 7124 1 23 190 ASP . 7124 1 24 191 ASP . 7124 1 25 192 GLN . 7124 1 26 193 LEU . 7124 1 27 194 ILE . 7124 1 28 195 CYS . 7124 1 29 196 ALA . 7124 1 30 197 LEU . 7124 1 31 198 CYS . 7124 1 32 199 LYS . 7124 1 33 200 LEU . 7124 1 34 201 VAL . 7124 1 35 202 GLY . 7124 1 36 203 ARG . 7124 1 37 204 HIS . 7124 1 38 205 ARG . 7124 1 39 206 ASP . 7124 1 40 207 HIS . 7124 1 41 208 GLN . 7124 1 42 209 VAL . 7124 1 43 210 ALA . 7124 1 44 211 ALA . 7124 1 45 212 LEU . 7124 1 46 213 SER . 7124 1 47 214 GLU . 7124 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 . SER 1 1 7124 1 . HIS 2 2 7124 1 . ILE 3 3 7124 1 . ARG 4 4 7124 1 . GLY 5 5 7124 1 . LEU 6 6 7124 1 . MET 7 7 7124 1 . CYS 8 8 7124 1 . LEU 9 9 7124 1 . GLU 10 10 7124 1 . HIS 11 11 7124 1 . GLU 12 12 7124 1 . ASP 13 13 7124 1 . GLU 14 14 7124 1 . LYS 15 15 7124 1 . VAL 16 16 7124 1 . ASN 17 17 7124 1 . MET 18 18 7124 1 . TYR 19 19 7124 1 . CYS 20 20 7124 1 . VAL 21 21 7124 1 . THR 22 22 7124 1 . ASP 23 23 7124 1 . ASP 24 24 7124 1 . GLN 25 25 7124 1 . LEU 26 26 7124 1 . ILE 27 27 7124 1 . CYS 28 28 7124 1 . ALA 29 29 7124 1 . LEU 30 30 7124 1 . CYS 31 31 7124 1 . LYS 32 32 7124 1 . LEU 33 33 7124 1 . VAL 34 34 7124 1 . GLY 35 35 7124 1 . ARG 36 36 7124 1 . HIS 37 37 7124 1 . ARG 38 38 7124 1 . ASP 39 39 7124 1 . HIS 40 40 7124 1 . GLN 41 41 7124 1 . VAL 42 42 7124 1 . ALA 43 43 7124 1 . ALA 44 44 7124 1 . LEU 45 45 7124 1 . SER 46 46 7124 1 . GLU 47 47 7124 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 7124 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ZN . 7124 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 7124 _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 $MID1_B-box2_domain . 9606 . no . Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 7124 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 7124 _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 $MID1_B-box2_domain . 'recombinant technology' . 'E. coli' . . . . . . . . . . . . . . . . . plasmid . . pGEX-4T2 'BBOX2 domain was inserted after the GST tag which was removed with thrombin' . . . . . 7124 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 7124 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 3 17:11:16 2012 ; _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 7124 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 7124 ZN [Zn++] SMILES CACTVS 3.341 7124 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 7124 ZN [Zn+2] SMILES ACDLabs 10.04 7124 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 7124 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 7124 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 7124 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 7124 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN . ZN . . ZN . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 7124 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Sample_1 _Sample.Sf_category sample _Sample.Sf_framecode Sample_1 _Sample.Entry_ID 7124 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 B-box2 . . . 1 $MID1_B-box2_domain . protein 0.75 . . mM . . . . 7124 1 2 ZN . . . 2 $ZN . . . . . mM . . . . 7124 1 3 H2O . . . . . . . 90 . . % . . . . 7124 1 4 D2O . . . . . . . 10 . . % . . . . 7124 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 7124 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 5 mM 7124 1 pH 7.5 .01 pH 7124 1 pressure 1 0 atm 7124 1 temperature 294 1 K 7124 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 7124 _Software.ID 1 _Software.Name NMRPipe _Software.Version n/a _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID NIH . . 7124 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 7124 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 7124 _Software.ID 2 _Software.Name SPARKY _Software.Version 3.110 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID UCSF . . 7124 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 7124 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 7124 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 7124 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 1H15N_HSQC no . . . . . . . . . . 1 $Sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7124 1 2 HNCA no . . . . . . . . . . 1 $Sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7124 1 3 HNCACB no . . . . . . . . . . 1 $Sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7124 1 4 15N/15N_HSQC-NOESY-HSQC no . . . . . . . . . . 1 $Sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7124 1 5 1H15N_NOESY-HSQC no . . . . . . . . . . 1 $Sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7124 1 6 1H13C_NOESY-HSQC no . . . . . . . . . . 1 $Sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7124 1 7 1H13C_HCCH-TOCSY no . . . . . . . . . . 1 $Sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7124 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7124 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 7124 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 7124 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 7124 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7124 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err .05 _Assigned_chem_shift_list.Chem_shift_13C_err .1 _Assigned_chem_shift_list.Chem_shift_15N_err .1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 1H15N_HSQC 1 $Sample_1 isotropic 7124 1 2 HNCA 1 $Sample_1 isotropic 7124 1 3 HNCACB 1 $Sample_1 isotropic 7124 1 4 15N/15N_HSQC-NOESY-HSQC 1 $Sample_1 isotropic 7124 1 5 1H15N_NOESY-HSQC 1 $Sample_1 isotropic 7124 1 6 1H13C_NOESY-HSQC 1 $Sample_1 isotropic 7124 1 7 1H13C_HCCH-TOCSY 1 $Sample_1 isotropic 7124 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 3 3 ILE H H 1 7.95 0.05 . 1 . . . . 170 Ile H . 7124 1 2 . 1 1 3 3 ILE HA H 1 4.12 0.05 . 1 . . . . 170 Ile HA . 7124 1 3 . 1 1 3 3 ILE HB H 1 1.84 0.05 . 1 . . . . 170 Ile HB . 7124 1 4 . 1 1 3 3 ILE HG12 H 1 1.59 0.05 . 1 . . . . 170 Ile HG12 . 7124 1 5 . 1 1 3 3 ILE HG13 H 1 1.38 0.05 . 1 . . . . 170 Ile HG13 . 7124 1 6 . 1 1 3 3 ILE HG21 H 1 1.1 0.05 . 1 . . . . 170 Ile HG2 . 7124 1 7 . 1 1 3 3 ILE HG22 H 1 1.1 0.05 . 1 . . . . 170 Ile HG2 . 7124 1 8 . 1 1 3 3 ILE HG23 H 1 1.1 0.05 . 1 . . . . 170 Ile HG2 . 7124 1 9 . 1 1 3 3 ILE HD11 H 1 0.832 0.05 . 1 . . . . 170 Ile HD . 7124 1 10 . 1 1 3 3 ILE HD12 H 1 0.832 0.05 . 1 . . . . 170 Ile HD . 7124 1 11 . 1 1 3 3 ILE HD13 H 1 0.832 0.05 . 1 . . . . 170 Ile HD . 7124 1 12 . 1 1 3 3 ILE CA C 13 61.47 0.15 . 1 . . . . 170 Ile CA . 7124 1 13 . 1 1 3 3 ILE CB C 13 38.78 0.15 . 1 . . . . 170 Ile CB . 7124 1 14 . 1 1 3 3 ILE CD1 C 13 12.87 0.15 . 1 . . . . 170 Ile CD1 . 7124 1 15 . 1 1 3 3 ILE N N 15 121.5 0.15 . 1 . . . . 170 Ile N . 7124 1 16 . 1 1 4 4 ARG H H 1 8.33 0.05 . 1 . . . . 171 Arg H . 7124 1 17 . 1 1 4 4 ARG HA H 1 4.642 0.05 . 1 . . . . 171 Arg HA . 7124 1 18 . 1 1 4 4 ARG HB2 H 1 3.104 0.05 . 1 . . . . 171 Arg HB . 7124 1 19 . 1 1 4 4 ARG HB3 H 1 3.104 0.05 . 1 . . . . 171 Arg HB . 7124 1 20 . 1 1 4 4 ARG CA C 13 56.97 0.15 . 1 . . . . 171 Arg CA . 7124 1 21 . 1 1 4 4 ARG CB C 13 30.87 0.15 . 1 . . . . 171 Arg CB . 7124 1 22 . 1 1 4 4 ARG N N 15 124.4 0.15 . 1 . . . . 171 Arg N . 7124 1 23 . 1 1 5 5 GLY H H 1 8.44 0.05 . 1 . . . . 172 Gly H . 7124 1 24 . 1 1 5 5 GLY HA2 H 1 3.95 0.05 . 1 . . . . 172 Gly HA . 7124 1 25 . 1 1 5 5 GLY HA3 H 1 3.95 0.05 . 1 . . . . 172 Gly HA . 7124 1 26 . 1 1 5 5 GLY CA C 13 45.72 0.15 . 1 . . . . 172 Gly CA . 7124 1 27 . 1 1 5 5 GLY N N 15 110.1 0.15 . 1 . . . . 172 Gly N . 7124 1 28 . 1 1 6 6 LEU H H 1 7.89 0.05 . 1 . . . . 173 Leu H . 7124 1 29 . 1 1 6 6 LEU HA H 1 4.35 0.05 . 1 . . . . 173 Leu HA . 7124 1 30 . 1 1 6 6 LEU HB2 H 1 1.61 0.05 . 1 . . . . 173 Leu HB2 . 7124 1 31 . 1 1 6 6 LEU HB3 H 1 1.84 0.05 . 1 . . . . 173 Leu HB3 . 7124 1 32 . 1 1 6 6 LEU HG H 1 0.86 0.05 . 1 . . . . 173 Leu HG . 7124 1 33 . 1 1 6 6 LEU CA C 13 55.54 0.15 . 1 . . . . 173 Leu CA . 7124 1 34 . 1 1 6 6 LEU CB C 13 43.76 0.15 . 1 . . . . 173 Leu CB . 7124 1 35 . 1 1 6 6 LEU N N 15 121.2 0.15 . 1 . . . . 173 Leu N . 7124 1 36 . 1 1 7 7 MET H H 1 8.11 0.05 . 1 . . . . 174 Met H . 7124 1 37 . 1 1 7 7 MET HA H 1 5.2 0.05 . 1 . . . . 174 Met HA . 7124 1 38 . 1 1 7 7 MET HB2 H 1 2.579 0.05 . 1 . . . . 174 Met HB2 . 7124 1 39 . 1 1 7 7 MET HB3 H 1 2.72 0.05 . 1 . . . . 174 Met HB3 . 7124 1 40 . 1 1 7 7 MET HG2 H 1 2.08 0.05 . 1 . . . . 174 Met HG2 . 7124 1 41 . 1 1 7 7 MET HG3 H 1 1.912 0.05 . 1 . . . . 174 Met HG3 . 7124 1 42 . 1 1 7 7 MET CA C 13 52.81 0.15 . 1 . . . . 174 Met CA . 7124 1 43 . 1 1 7 7 MET CB C 13 32.14 0.15 . 1 . . . . 174 Met CB . 7124 1 44 . 1 1 7 7 MET CG C 13 32.08 0.15 . 1 . . . . 174 Met CG . 7124 1 45 . 1 1 7 7 MET N N 15 120 0.15 . 1 . . . . 174 Met N . 7124 1 46 . 1 1 8 8 CYS H H 1 8.86 0.05 . 1 . . . . 175 Cys H . 7124 1 47 . 1 1 8 8 CYS HA H 1 3.83 0.05 . 1 . . . . 175 Cys HA . 7124 1 48 . 1 1 8 8 CYS HB2 H 1 3.7 0.05 . 1 . . . . 175 Cys HB2 . 7124 1 49 . 1 1 8 8 CYS HB3 H 1 2.72 0.05 . 1 . . . . 175 Cys HB3 . 7124 1 50 . 1 1 8 8 CYS CA C 13 60.31 0.15 . 1 . . . . 175 Cys CA . 7124 1 51 . 1 1 8 8 CYS CB C 13 28.76 0.15 . 1 . . . . 175 Cys CB . 7124 1 52 . 1 1 8 8 CYS N N 15 125.6 0.15 . 1 . . . . 175 Cys N . 7124 1 53 . 1 1 9 9 LEU H H 1 8.43 0.05 . 1 . . . . 176 Leu H . 7124 1 54 . 1 1 9 9 LEU HA H 1 4.139 0.05 . 1 . . . . 176 Leu HA . 7124 1 55 . 1 1 9 9 LEU HB2 H 1 1.81 0.05 . 1 . . . . 176 Leu HB2 . 7124 1 56 . 1 1 9 9 LEU HB3 H 1 1.6 0.05 . 1 . . . . 176 Leu HB3 . 7124 1 57 . 1 1 9 9 LEU HG H 1 1.86 0.05 . 1 . . . . 176 Leu HG . 7124 1 58 . 1 1 9 9 LEU HD11 H 1 0.779 0.05 . 1 . . . . 176 Leu HD1 . 7124 1 59 . 1 1 9 9 LEU HD12 H 1 0.779 0.05 . 1 . . . . 176 Leu HD1 . 7124 1 60 . 1 1 9 9 LEU HD13 H 1 0.779 0.05 . 1 . . . . 176 Leu HD1 . 7124 1 61 . 1 1 9 9 LEU HD21 H 1 0.946 0.05 . 1 . . . . 176 Leu HD2 . 7124 1 62 . 1 1 9 9 LEU HD22 H 1 0.946 0.05 . 1 . . . . 176 Leu HD2 . 7124 1 63 . 1 1 9 9 LEU HD23 H 1 0.946 0.05 . 1 . . . . 176 Leu HD2 . 7124 1 64 . 1 1 9 9 LEU CA C 13 57.48 0.15 . 1 . . . . 176 Leu CA . 7124 1 65 . 1 1 9 9 LEU CB C 13 42.78 0.15 . 1 . . . . 176 Leu CB . 7124 1 66 . 1 1 9 9 LEU CG C 13 27.21 0.15 . 1 . . . . 176 Leu CG . 7124 1 67 . 1 1 9 9 LEU CD1 C 13 25.23 0.15 . 1 . . . . 176 Leu CD1 . 7124 1 68 . 1 1 9 9 LEU CD2 C 13 23.67 0.15 . 1 . . . . 176 Leu CD2 . 7124 1 69 . 1 1 9 9 LEU N N 15 127.7 0.15 . 1 . . . . 176 Leu N . 7124 1 70 . 1 1 10 10 GLU H H 1 8.97 0.05 . 1 . . . . 177 Glu H . 7124 1 71 . 1 1 10 10 GLU HA H 1 4.14 0.05 . 1 . . . . 177 Glu HA . 7124 1 72 . 1 1 10 10 GLU HB2 H 1 2.09 0.05 . 1 . . . . 177 Glu HB2 . 7124 1 73 . 1 1 10 10 GLU HB3 H 1 1.91 0.05 . 1 . . . . 177 Glu HB3 . 7124 1 74 . 1 1 10 10 GLU HG2 H 1 2.67 0.05 . 1 . . . . 177 Glu HG . 7124 1 75 . 1 1 10 10 GLU HG3 H 1 2.67 0.05 . 1 . . . . 177 Glu HG . 7124 1 76 . 1 1 10 10 GLU CA C 13 57.64 0.15 . 1 . . . . 177 Glu CA . 7124 1 77 . 1 1 10 10 GLU CB C 13 31.66 0.15 . 1 . . . . 177 Glu CB . 7124 1 78 . 1 1 10 10 GLU CG C 13 32.62 0.15 . 1 . . . . 177 Glu CG . 7124 1 79 . 1 1 10 10 GLU N N 15 120.7 0.15 . 1 . . . . 177 Glu N . 7124 1 80 . 1 1 11 11 HIS H H 1 7.866 0.05 . 1 . . . . 178 His H . 7124 1 81 . 1 1 11 11 HIS HA H 1 4.652 0.05 . 1 . . . . 178 His HA . 7124 1 82 . 1 1 11 11 HIS HB2 H 1 3.681 0.05 . 1 . . . . 178 His HB2 . 7124 1 83 . 1 1 11 11 HIS HB3 H 1 3.104 0.05 . 1 . . . . 178 His HB3 . 7124 1 84 . 1 1 11 11 HIS HE1 H 1 8.04 0.05 . 1 . . . . 178 His HE . 7124 1 85 . 1 1 11 11 HIS CA C 13 56.71 0.15 . 1 . . . . 178 His CA . 7124 1 86 . 1 1 11 11 HIS CB C 13 30.59 0.15 . 1 . . . . 178 His CB . 7124 1 87 . 1 1 11 11 HIS N N 15 123.3 0.15 . 1 . . . . 178 His N . 7124 1 88 . 1 1 12 12 GLU H H 1 8.236 0.05 . 1 . . . . 179 Glu H . 7124 1 89 . 1 1 12 12 GLU HA H 1 4.33 0.05 . 1 . . . . 179 Glu HA . 7124 1 90 . 1 1 12 12 GLU HB3 H 1 2.01 0.05 . 1 . . . . 179 Glu HB3 . 7124 1 91 . 1 1 12 12 GLU HG2 H 1 2.214 0.05 . 1 . . . . 179 Glu HG . 7124 1 92 . 1 1 12 12 GLU HG3 H 1 2.214 0.05 . 1 . . . . 179 Glu HG . 7124 1 93 . 1 1 12 12 GLU CA C 13 59.14 0.15 . 1 . . . . 179 Glu CA . 7124 1 94 . 1 1 12 12 GLU CB C 13 30.22 0.15 . 1 . . . . 179 Glu CB . 7124 1 95 . 1 1 12 12 GLU CG C 13 36.25 0.15 . 1 . . . . 179 Glu CG . 7124 1 96 . 1 1 12 12 GLU N N 15 118.6 0.15 . 1 . . . . 179 Glu N . 7124 1 97 . 1 1 13 13 ASP H H 1 8.572 0.05 . 1 . . . . 180 Asp H . 7124 1 98 . 1 1 13 13 ASP HA H 1 4.751 0.05 . 1 . . . . 180 Asp HA . 7124 1 99 . 1 1 13 13 ASP HB2 H 1 2.84 0.05 . 1 . . . . 180 Asp HB2 . 7124 1 100 . 1 1 13 13 ASP HB3 H 1 2.65 0.05 . 1 . . . . 180 Asp HB3 . 7124 1 101 . 1 1 13 13 ASP CA C 13 54.09 0.15 . 1 . . . . 180 Asp CA . 7124 1 102 . 1 1 13 13 ASP CB C 13 41.4 0.15 . 1 . . . . 180 Asp CB . 7124 1 103 . 1 1 13 13 ASP N N 15 116.6 0.15 . 1 . . . . 180 Asp N . 7124 1 104 . 1 1 14 14 GLU H H 1 8.404 0.05 . 1 . . . . 181 Glu H . 7124 1 105 . 1 1 14 14 GLU HA H 1 4.561 0.05 . 1 . . . . 181 Glu HA . 7124 1 106 . 1 1 14 14 GLU HB2 H 1 2.36 0.05 . 1 . . . . 181 Glu HB2 . 7124 1 107 . 1 1 14 14 GLU HB3 H 1 2.11 0.05 . 1 . . . . 181 Glu HB3 . 7124 1 108 . 1 1 14 14 GLU HG2 H 1 2.66 0.05 . 1 . . . . 181 Glu HG2 . 7124 1 109 . 1 1 14 14 GLU HG3 H 1 2.54 0.05 . 1 . . . . 181 Glu HG3 . 7124 1 110 . 1 1 14 14 GLU CA C 13 54.62 0.15 . 1 . . . . 181 Glu CA . 7124 1 111 . 1 1 14 14 GLU CB C 13 32.85 0.15 . 1 . . . . 181 Glu CB . 7124 1 112 . 1 1 14 14 GLU CG C 13 32.26 0.15 . 1 . . . . 181 Glu CG . 7124 1 113 . 1 1 14 14 GLU N N 15 120.7 0.15 . 1 . . . . 181 Glu N . 7124 1 114 . 1 1 15 15 LYS H H 1 8.53 0.05 . 1 . . . . 182 Lys H . 7124 1 115 . 1 1 15 15 LYS HA H 1 4.75 0.05 . 1 . . . . 182 Lys HA . 7124 1 116 . 1 1 15 15 LYS HB2 H 1 2.49 0.05 . 1 . . . . 182 Lys HB2 . 7124 1 117 . 1 1 15 15 LYS HB3 H 1 2.24 0.05 . 1 . . . . 182 Lys HB3 . 7124 1 118 . 1 1 15 15 LYS HG2 H 1 1.506 0.05 . 1 . . . . 182 Lys HG . 7124 1 119 . 1 1 15 15 LYS HG3 H 1 1.506 0.05 . 1 . . . . 182 Lys HG . 7124 1 120 . 1 1 15 15 LYS HD2 H 1 1.707 0.05 . 1 . . . . 182 Lys HD . 7124 1 121 . 1 1 15 15 LYS HD3 H 1 1.707 0.05 . 1 . . . . 182 Lys HD . 7124 1 122 . 1 1 15 15 LYS CA C 13 55.56 0.15 . 1 . . . . 182 Lys CA . 7124 1 123 . 1 1 15 15 LYS CB C 13 33.67 0.15 . 1 . . . . 182 Lys CB . 7124 1 124 . 1 1 15 15 LYS CG C 13 25.47 0.15 . 1 . . . . 182 Lys CG . 7124 1 125 . 1 1 15 15 LYS CD C 13 29.22 0.15 . 1 . . . . 182 Lys CD . 7124 1 126 . 1 1 15 15 LYS N N 15 122.6 0.15 . 1 . . . . 182 Lys N . 7124 1 127 . 1 1 16 16 VAL H H 1 8.26 0.05 . 1 . . . . 183 Val H . 7124 1 128 . 1 1 16 16 VAL HA H 1 3.808 0.05 . 1 . . . . 183 Val HA . 7124 1 129 . 1 1 16 16 VAL HB H 1 2.065 0.05 . 1 . . . . 183 Val HB . 7124 1 130 . 1 1 16 16 VAL HG11 H 1 0.8851 0.05 . 1 . . . . 183 Val HG1 . 7124 1 131 . 1 1 16 16 VAL HG12 H 1 0.8851 0.05 . 1 . . . . 183 Val HG1 . 7124 1 132 . 1 1 16 16 VAL HG13 H 1 0.8851 0.05 . 1 . . . . 183 Val HG1 . 7124 1 133 . 1 1 16 16 VAL HG21 H 1 0.787 0.05 . 1 . . . . 183 Val HG2 . 7124 1 134 . 1 1 16 16 VAL HG22 H 1 0.787 0.05 . 1 . . . . 183 Val HG2 . 7124 1 135 . 1 1 16 16 VAL HG23 H 1 0.787 0.05 . 1 . . . . 183 Val HG2 . 7124 1 136 . 1 1 16 16 VAL CA C 13 63.24 0.15 . 1 . . . . 183 Val CA . 7124 1 137 . 1 1 16 16 VAL CB C 13 32.1 0.15 . 1 . . . . 183 Val CB . 7124 1 138 . 1 1 16 16 VAL CG1 C 13 19.61 0.15 . 1 . . . . 183 Val CG1 . 7124 1 139 . 1 1 16 16 VAL CG2 C 13 21.95 0.15 . 1 . . . . 183 Val CG2 . 7124 1 140 . 1 1 16 16 VAL N N 15 117 0.15 . 1 . . . . 183 Val N . 7124 1 141 . 1 1 17 17 ASN H H 1 8.8 0.05 . 1 . . . . 184 Asn H . 7124 1 142 . 1 1 17 17 ASN HA H 1 4.8 0.05 . 1 . . . . 184 Asn HA . 7124 1 143 . 1 1 17 17 ASN HB2 H 1 3.09 0.05 . 1 . . . . 184 Asn HB2 . 7124 1 144 . 1 1 17 17 ASN HB3 H 1 2.64 0.05 . 1 . . . . 184 Asn HB3 . 7124 1 145 . 1 1 17 17 ASN CA C 13 53.51 0.15 . 1 . . . . 184 Asn CA . 7124 1 146 . 1 1 17 17 ASN CB C 13 40.65 0.15 . 1 . . . . 184 Asn CB . 7124 1 147 . 1 1 17 17 ASN N N 15 120.8 0.15 . 1 . . . . 184 Asn N . 7124 1 148 . 1 1 18 18 MET H H 1 8.43 0.05 . 1 . . . . 185 Met H . 7124 1 149 . 1 1 18 18 MET HA H 1 4.82 0.05 . 1 . . . . 185 Met HA . 7124 1 150 . 1 1 18 18 MET HB2 H 1 1.83 0.05 . 1 . . . . 185 Met HB2 . 7124 1 151 . 1 1 18 18 MET HB3 H 1 1.73 0.05 . 1 . . . . 185 Met HB3 . 7124 1 152 . 1 1 18 18 MET HG2 H 1 2.34 0.05 . 1 . . . . 185 Met HG . 7124 1 153 . 1 1 18 18 MET HG3 H 1 2.34 0.05 . 1 . . . . 185 Met HG . 7124 1 154 . 1 1 18 18 MET CA C 13 55.41 0.15 . 1 . . . . 185 Met CA . 7124 1 155 . 1 1 18 18 MET CB C 13 38.4 0.15 . 1 . . . . 185 Met CB . 7124 1 156 . 1 1 18 18 MET CG C 13 32.32 0.15 . 1 . . . . 185 Met CG . 7124 1 157 . 1 1 18 18 MET N N 15 119.1 0.15 . 1 . . . . 185 Met N . 7124 1 158 . 1 1 19 19 TYR H H 1 9.12 0.05 . 1 . . . . 186 Tyr H . 7124 1 159 . 1 1 19 19 TYR HA H 1 4.91 0.05 . 1 . . . . 186 Tyr HA . 7124 1 160 . 1 1 19 19 TYR HB2 H 1 2.78 0.05 . 1 . . . . 186 Tyr HB . 7124 1 161 . 1 1 19 19 TYR HB3 H 1 2.78 0.05 . 1 . . . . 186 Tyr HB . 7124 1 162 . 1 1 19 19 TYR HD1 H 1 6.811 0.05 . 1 . . . . 186 Tyr HD . 7124 1 163 . 1 1 19 19 TYR HD2 H 1 6.811 0.05 . 1 . . . . 186 Tyr HD . 7124 1 164 . 1 1 19 19 TYR CA C 13 56.41 0.15 . 1 . . . . 186 Tyr CA . 7124 1 165 . 1 1 19 19 TYR CB C 13 41.58 0.15 . 1 . . . . 186 Tyr CB . 7124 1 166 . 1 1 19 19 TYR N N 15 121.5 0.15 . 1 . . . . 186 Tyr N . 7124 1 167 . 1 1 20 20 CYS H H 1 9.22 0.05 . 1 . . . . 187 Cys H . 7124 1 168 . 1 1 20 20 CYS HA H 1 4.7 0.05 . 1 . . . . 187 Cys HA . 7124 1 169 . 1 1 20 20 CYS HB2 H 1 3.09 0.05 . 1 . . . . 187 Cys HB2 . 7124 1 170 . 1 1 20 20 CYS HB3 H 1 2.44 0.05 . 1 . . . . 187 Cys HB3 . 7124 1 171 . 1 1 20 20 CYS CA C 13 59.16 0.15 . 1 . . . . 187 Cys CA . 7124 1 172 . 1 1 20 20 CYS CB C 13 28.86 0.15 . 1 . . . . 187 Cys CB . 7124 1 173 . 1 1 20 20 CYS N N 15 129.1 0.15 . 1 . . . . 187 Cys N . 7124 1 174 . 1 1 21 21 VAL H H 1 9.08 0.05 . 1 . . . . 188 Val H . 7124 1 175 . 1 1 21 21 VAL HA H 1 3.428 0.05 . 1 . . . . 188 Val HA . 7124 1 176 . 1 1 21 21 VAL HB H 1 1.792 0.05 . 1 . . . . 188 Val HB . 7124 1 177 . 1 1 21 21 VAL HG11 H 1 1.01 0.05 . 1 . . . . 188 Val HG . 7124 1 178 . 1 1 21 21 VAL HG12 H 1 1.01 0.05 . 1 . . . . 188 Val HG . 7124 1 179 . 1 1 21 21 VAL HG13 H 1 1.01 0.05 . 1 . . . . 188 Val HG . 7124 1 180 . 1 1 21 21 VAL HG21 H 1 1.01 0.05 . 1 . . . . 188 Val HG . 7124 1 181 . 1 1 21 21 VAL HG22 H 1 1.01 0.05 . 1 . . . . 188 Val HG . 7124 1 182 . 1 1 21 21 VAL HG23 H 1 1.01 0.05 . 1 . . . . 188 Val HG . 7124 1 183 . 1 1 21 21 VAL CA C 13 64.92 0.15 . 1 . . . . 188 Val CA . 7124 1 184 . 1 1 21 21 VAL CB C 13 32.85 0.15 . 1 . . . . 188 Val CB . 7124 1 185 . 1 1 21 21 VAL CG1 C 13 22 0.15 . 1 . . . . 188 Val CG1 . 7124 1 186 . 1 1 21 21 VAL N N 15 131.7 0.15 . 1 . . . . 188 Val N . 7124 1 187 . 1 1 22 22 THR H H 1 7.74 0.05 . 1 . . . . 189 Thr H . 7124 1 188 . 1 1 22 22 THR HA H 1 3.736 0.05 . 1 . . . . 189 Thr HA . 7124 1 189 . 1 1 22 22 THR HB H 1 3.55 0.05 . 1 . . . . 189 Thr HB . 7124 1 190 . 1 1 22 22 THR HG21 H 1 0.602 0.05 . 1 . . . . 189 Thr HG2 . 7124 1 191 . 1 1 22 22 THR HG22 H 1 0.602 0.05 . 1 . . . . 189 Thr HG2 . 7124 1 192 . 1 1 22 22 THR HG23 H 1 0.602 0.05 . 1 . . . . 189 Thr HG2 . 7124 1 193 . 1 1 22 22 THR CA C 13 67.37 0.15 . 1 . . . . 189 Thr CA . 7124 1 194 . 1 1 22 22 THR CB C 13 70.46 0.15 . 1 . . . . 189 Thr CB . 7124 1 195 . 1 1 22 22 THR CG2 C 13 20.13 0.15 . 1 . . . . 189 Thr CG2 . 7124 1 196 . 1 1 22 22 THR N N 15 117.5 0.15 . 1 . . . . 189 Thr N . 7124 1 197 . 1 1 23 23 ASP H H 1 8.19 0.05 . 1 . . . . 190 Asp H . 7124 1 198 . 1 1 23 23 ASP HA H 1 4.807 0.05 . 1 . . . . 190 Asp HA . 7124 1 199 . 1 1 23 23 ASP HB2 H 1 2.95 0.05 . 1 . . . . 190 Asp HB2 . 7124 1 200 . 1 1 23 23 ASP HB3 H 1 2.66 0.05 . 1 . . . . 190 Asp HB3 . 7124 1 201 . 1 1 23 23 ASP CA C 13 55.09 0.15 . 1 . . . . 190 Asp CA . 7124 1 202 . 1 1 23 23 ASP CB C 13 43.75 0.15 . 1 . . . . 190 Asp CB . 7124 1 203 . 1 1 23 23 ASP N N 15 117.3 0.15 . 1 . . . . 190 Asp N . 7124 1 204 . 1 1 24 24 ASP H H 1 8.06 0.05 . 1 . . . . 191 Asp H . 7124 1 205 . 1 1 24 24 ASP HA H 1 4.178 0.05 . 1 . . . . 191 Asp HA . 7124 1 206 . 1 1 24 24 ASP HB2 H 1 2.563 0.05 . 1 . . . . 191 Asp HB2 . 7124 1 207 . 1 1 24 24 ASP HB3 H 1 3.26 0.05 . 1 . . . . 191 Asp HB3 . 7124 1 208 . 1 1 24 24 ASP CA C 13 55.24 0.15 . 1 . . . . 191 Asp CA . 7124 1 209 . 1 1 24 24 ASP CB C 13 39.48 0.15 . 1 . . . . 191 Asp CB . 7124 1 210 . 1 1 24 24 ASP N N 15 121.2 0.15 . 1 . . . . 191 Asp N . 7124 1 211 . 1 1 25 25 GLN H H 1 7.365 0.05 . 1 . . . . 192 Gln H . 7124 1 212 . 1 1 25 25 GLN HA H 1 4.7 0.05 . 1 . . . . 192 Gln HA . 7124 1 213 . 1 1 25 25 GLN HB2 H 1 2.349 0.05 . 1 . . . . 192 Gln HB2 . 7124 1 214 . 1 1 25 25 GLN HB3 H 1 1.72 0.05 . 1 . . . . 192 Gln HB3 . 7124 1 215 . 1 1 25 25 GLN HG2 H 1 2.35 0.05 . 1 . . . . 192 Gln HG . 7124 1 216 . 1 1 25 25 GLN HG3 H 1 2.35 0.05 . 1 . . . . 192 Gln HG . 7124 1 217 . 1 1 25 25 GLN HE21 H 1 7.23 0.05 . 1 . . . . 192 Gln HE1 . 7124 1 218 . 1 1 25 25 GLN HE22 H 1 7.4 0.05 . 1 . . . . 192 Gln HE2 . 7124 1 219 . 1 1 25 25 GLN CA C 13 54.5 0.15 . 1 . . . . 192 Gln CA . 7124 1 220 . 1 1 25 25 GLN CB C 13 34.73 0.15 . 1 . . . . 192 Gln CB . 7124 1 221 . 1 1 25 25 GLN CG C 13 33.72 0.15 . 1 . . . . 192 Gln CG . 7124 1 222 . 1 1 25 25 GLN N N 15 115.9 0.15 . 1 . . . . 192 Gln N . 7124 1 223 . 1 1 25 25 GLN NE2 N 15 111.7 0.15 . 1 . . . . 192 Gln NE . 7124 1 224 . 1 1 26 26 LEU H H 1 8.88 0.05 . 1 . . . . 193 Leu H . 7124 1 225 . 1 1 26 26 LEU HA H 1 4.947 0.05 . 1 . . . . 193 Leu HA . 7124 1 226 . 1 1 26 26 LEU HB2 H 1 1.91 0.05 . 1 . . . . 193 Leu HB2 . 7124 1 227 . 1 1 26 26 LEU HB3 H 1 1.39 0.05 . 1 . . . . 193 Leu HB3 . 7124 1 228 . 1 1 26 26 LEU HD11 H 1 0.985 0.05 . 1 . . . . 193 Leu HD1 . 7124 1 229 . 1 1 26 26 LEU HD12 H 1 0.985 0.05 . 1 . . . . 193 Leu HD1 . 7124 1 230 . 1 1 26 26 LEU HD13 H 1 0.985 0.05 . 1 . . . . 193 Leu HD1 . 7124 1 231 . 1 1 26 26 LEU HD21 H 1 0.774 0.05 . 1 . . . . 193 Leu HD2 . 7124 1 232 . 1 1 26 26 LEU HD22 H 1 0.774 0.05 . 1 . . . . 193 Leu HD2 . 7124 1 233 . 1 1 26 26 LEU HD23 H 1 0.774 0.05 . 1 . . . . 193 Leu HD2 . 7124 1 234 . 1 1 26 26 LEU CA C 13 55.44 0.15 . 1 . . . . 193 Leu CA . 7124 1 235 . 1 1 26 26 LEU CB C 13 42.16 0.15 . 1 . . . . 193 Leu CB . 7124 1 236 . 1 1 26 26 LEU CD1 C 13 24.12 0.15 . 1 . . . . 193 Leu CD1 . 7124 1 237 . 1 1 26 26 LEU CD2 C 13 21.91 0.15 . 1 . . . . 193 Leu CD2 . 7124 1 238 . 1 1 26 26 LEU N N 15 126.1 0.15 . 1 . . . . 193 Leu N . 7124 1 239 . 1 1 27 27 ILE HG12 H 1 1.19 0.05 . 1 . . . . 194 Ile HG2 . 7124 1 240 . 1 1 27 27 ILE HG13 H 1 0.02 0.05 . 1 . . . . 194 Ile HG3 . 7124 1 241 . 1 1 27 27 ILE H H 1 8.78 0.05 . 1 . . . . 194 Ile H . 7124 1 242 . 1 1 27 27 ILE HA H 1 4.961 0.05 . 1 . . . . 194 Ile HA . 7124 1 243 . 1 1 27 27 ILE HB H 1 1.98 0.05 . 1 . . . . 194 Ile HB . 7124 1 244 . 1 1 27 27 ILE HD11 H 1 0.54 0.05 . 1 . . . . 194 Ile HD . 7124 1 245 . 1 1 27 27 ILE HD12 H 1 0.54 0.05 . 1 . . . . 194 Ile HD . 7124 1 246 . 1 1 27 27 ILE HD13 H 1 0.54 0.05 . 1 . . . . 194 Ile HD . 7124 1 247 . 1 1 27 27 ILE CA C 13 60.35 0.15 . 1 . . . . 194 Ile CA . 7124 1 248 . 1 1 27 27 ILE CB C 13 42.59 0.15 . 1 . . . . 194 Ile CB . 7124 1 249 . 1 1 27 27 ILE CG1 C 13 25.52 0.15 . 1 . . . . 194 Ile CG1 . 7124 1 250 . 1 1 27 27 ILE CG2 C 13 15.86 0.15 . 1 . . . . 194 Ile CG2 . 7124 1 251 . 1 1 27 27 ILE CD1 C 13 14.51 0.15 . 1 . . . . 194 Ile CD1 . 7124 1 252 . 1 1 27 27 ILE N N 15 115.9 0.15 . 1 . . . . 194 Ile N . 7124 1 253 . 1 1 28 28 CYS H H 1 7.86 0.05 . 1 . . . . 195 Cys H . 7124 1 254 . 1 1 28 28 CYS HA H 1 5.46 0.05 . 1 . . . . 195 Cys HA . 7124 1 255 . 1 1 28 28 CYS HB2 H 1 3.61 0.05 . 1 . . . . 195 Cys HB2 . 7124 1 256 . 1 1 28 28 CYS HB3 H 1 2.63 0.05 . 1 . . . . 195 Cys HB3 . 7124 1 257 . 1 1 28 28 CYS CA C 13 56.82 0.15 . 1 . . . . 195 Cys CA . 7124 1 258 . 1 1 28 28 CYS CB C 13 35.82 0.15 . 1 . . . . 195 Cys CB . 7124 1 259 . 1 1 28 28 CYS N N 15 118.4 0.15 . 1 . . . . 195 Cys N . 7124 1 260 . 1 1 29 29 ALA H H 1 8.64 0.05 . 1 . . . . 196 Ala H . 7124 1 261 . 1 1 29 29 ALA HA H 1 4.05 0.05 . 1 . . . . 196 Ala HA . 7124 1 262 . 1 1 29 29 ALA HB1 H 1 1.436 0.05 . 1 . . . . 196 Ala HB . 7124 1 263 . 1 1 29 29 ALA HB2 H 1 1.436 0.05 . 1 . . . . 196 Ala HB . 7124 1 264 . 1 1 29 29 ALA HB3 H 1 1.436 0.05 . 1 . . . . 196 Ala HB . 7124 1 265 . 1 1 29 29 ALA CA C 13 55.62 0.15 . 1 . . . . 196 Ala CA . 7124 1 266 . 1 1 29 29 ALA CB C 13 19.4 0.15 . 1 . . . . 196 Ala CB . 7124 1 267 . 1 1 29 29 ALA N N 15 119.1 0.15 . 1 . . . . 196 Ala N . 7124 1 268 . 1 1 30 30 LEU H H 1 8.66 0.05 . 1 . . . . 197 Leu H . 7124 1 269 . 1 1 30 30 LEU HA H 1 3.922 0.05 . 1 . . . . 197 Leu HA . 7124 1 270 . 1 1 30 30 LEU HB2 H 1 0.79 0.05 . 1 . . . . 197 Leu HB2 . 7124 1 271 . 1 1 30 30 LEU HB3 H 1 0.571 0.05 . 1 . . . . 197 Leu HB3 . 7124 1 272 . 1 1 30 30 LEU HG H 1 1.46 0.05 . 1 . . . . 197 Leu HG . 7124 1 273 . 1 1 30 30 LEU HD11 H 1 0.79 0.05 . 1 . . . . 197 Leu HD1 . 7124 1 274 . 1 1 30 30 LEU HD12 H 1 0.79 0.05 . 1 . . . . 197 Leu HD1 . 7124 1 275 . 1 1 30 30 LEU HD13 H 1 0.79 0.05 . 1 . . . . 197 Leu HD1 . 7124 1 276 . 1 1 30 30 LEU HD21 H 1 0.571 0.05 . 1 . . . . 197 Leu HD2 . 7124 1 277 . 1 1 30 30 LEU HD22 H 1 0.571 0.05 . 1 . . . . 197 Leu HD2 . 7124 1 278 . 1 1 30 30 LEU HD23 H 1 0.571 0.05 . 1 . . . . 197 Leu HD2 . 7124 1 279 . 1 1 30 30 LEU CA C 13 58.44 0.15 . 1 . . . . 197 Leu CA . 7124 1 280 . 1 1 30 30 LEU CB C 13 40.38 0.15 . 1 . . . . 197 Leu CB . 7124 1 281 . 1 1 30 30 LEU CG C 13 27.21 0.15 . 1 . . . . 197 Leu CG . 7124 1 282 . 1 1 30 30 LEU CD1 C 13 22.35 0.15 . 1 . . . . 197 Leu CD1 . 7124 1 283 . 1 1 30 30 LEU CD2 C 13 21.95 0.15 . 1 . . . . 197 Leu CD2 . 7124 1 284 . 1 1 30 30 LEU N N 15 120.5 0.15 . 1 . . . . 197 Leu N . 7124 1 285 . 1 1 31 31 CYS H H 1 8.29 0.05 . 1 . . . . 198 Cys H . 7124 1 286 . 1 1 31 31 CYS HA H 1 4.05 0.05 . 1 . . . . 198 Cys HA . 7124 1 287 . 1 1 31 31 CYS HB2 H 1 1.9 0.05 . 1 . . . . 198 Cys HB2 . 7124 1 288 . 1 1 31 31 CYS HB3 H 1 2.6 0.05 . 1 . . . . 198 Cys HB3 . 7124 1 289 . 1 1 31 31 CYS CA C 13 66.6 0.15 . 1 . . . . 198 Cys CA . 7124 1 290 . 1 1 31 31 CYS CB C 13 31.77 0.15 . 1 . . . . 198 Cys CB . 7124 1 291 . 1 1 31 31 CYS N N 15 124.2 0.15 . 1 . . . . 198 Cys N . 7124 1 292 . 1 1 32 32 LYS H H 1 6.716 0.05 . 1 . . . . 199 Lys H . 7124 1 293 . 1 1 32 32 LYS HA H 1 3.956 0.05 . 1 . . . . 199 Lys HA . 7124 1 294 . 1 1 32 32 LYS HB2 H 1 1.9 0.05 . 1 . . . . 199 Lys HB2 . 7124 1 295 . 1 1 32 32 LYS HB3 H 1 1.56 0.05 . 1 . . . . 199 Lys HB3 . 7124 1 296 . 1 1 32 32 LYS HG2 H 1 1.41 0.05 . 1 . . . . 199 Lys HG . 7124 1 297 . 1 1 32 32 LYS HG3 H 1 1.41 0.05 . 1 . . . . 199 Lys HG . 7124 1 298 . 1 1 32 32 LYS CA C 13 55.9 0.15 . 1 . . . . 199 Lys CA . 7124 1 299 . 1 1 32 32 LYS CB C 13 34.32 0.15 . 1 . . . . 199 Lys CB . 7124 1 300 . 1 1 32 32 LYS CG C 13 27.13 0.15 . 1 . . . . 199 Lys CG . 7124 1 301 . 1 1 32 32 LYS N N 15 115.2 0.15 . 1 . . . . 199 Lys N . 7124 1 302 . 1 1 33 33 LEU H H 1 8.073 0.05 . 1 . . . . 200 Leu H . 7124 1 303 . 1 1 33 33 LEU HA H 1 4.254 0.05 . 1 . . . . 200 Leu HA . 7124 1 304 . 1 1 33 33 LEU HB2 H 1 1.85 0.05 . 1 . . . . 200 Leu HB2 . 7124 1 305 . 1 1 33 33 LEU HB3 H 1 1.64 0.05 . 1 . . . . 200 Leu HB3 . 7124 1 306 . 1 1 33 33 LEU HG H 1 1.66 0.05 . 1 . . . . 200 Leu HG . 7124 1 307 . 1 1 33 33 LEU HD11 H 1 0.852 0.05 . 1 . . . . 200 Leu HD . 7124 1 308 . 1 1 33 33 LEU HD12 H 1 0.852 0.05 . 1 . . . . 200 Leu HD . 7124 1 309 . 1 1 33 33 LEU HD13 H 1 0.852 0.05 . 1 . . . . 200 Leu HD . 7124 1 310 . 1 1 33 33 LEU HD21 H 1 0.852 0.05 . 1 . . . . 200 Leu HD . 7124 1 311 . 1 1 33 33 LEU HD22 H 1 0.852 0.05 . 1 . . . . 200 Leu HD . 7124 1 312 . 1 1 33 33 LEU HD23 H 1 0.852 0.05 . 1 . . . . 200 Leu HD . 7124 1 313 . 1 1 33 33 LEU CA C 13 58.18 0.15 . 1 . . . . 200 Leu CA . 7124 1 314 . 1 1 33 33 LEU CB C 13 44.55 0.15 . 1 . . . . 200 Leu CB . 7124 1 315 . 1 1 33 33 LEU CG C 13 27 0.15 . 1 . . . . 200 Leu CG . 7124 1 316 . 1 1 33 33 LEU CD1 C 13 23.69 0.15 . 1 . . . . 200 Leu CD . 7124 1 317 . 1 1 33 33 LEU CD2 C 13 23.69 0.15 . 1 . . . . 200 Leu CD . 7124 1 318 . 1 1 33 33 LEU N N 15 118.6 0.15 . 1 . . . . 200 Leu N . 7124 1 319 . 1 1 34 34 VAL H H 1 8.089 0.05 . 1 . . . . 201 Val H . 7124 1 320 . 1 1 34 34 VAL HA H 1 4.625 0.05 . 1 . . . . 201 Val HA . 7124 1 321 . 1 1 34 34 VAL HB H 1 2.355 0.05 . 1 . . . . 201 Val HB . 7124 1 322 . 1 1 34 34 VAL HG11 H 1 0.86 0.05 . 1 . . . . 201 Val HG1 . 7124 1 323 . 1 1 34 34 VAL HG12 H 1 0.86 0.05 . 1 . . . . 201 Val HG1 . 7124 1 324 . 1 1 34 34 VAL HG13 H 1 0.86 0.05 . 1 . . . . 201 Val HG1 . 7124 1 325 . 1 1 34 34 VAL HG21 H 1 0.76 0.05 . 1 . . . . 201 Val HG2 . 7124 1 326 . 1 1 34 34 VAL HG22 H 1 0.76 0.05 . 1 . . . . 201 Val HG2 . 7124 1 327 . 1 1 34 34 VAL HG23 H 1 0.76 0.05 . 1 . . . . 201 Val HG2 . 7124 1 328 . 1 1 34 34 VAL CA C 13 60.9 0.15 . 1 . . . . 201 Val CA . 7124 1 329 . 1 1 34 34 VAL CB C 13 35 0.15 . 1 . . . . 201 Val CB . 7124 1 330 . 1 1 34 34 VAL CG1 C 13 21.54 0.15 . 1 . . . . 201 Val CG1 . 7124 1 331 . 1 1 34 34 VAL CG2 C 13 19.14 0.15 . 1 . . . . 201 Val CG2 . 7124 1 332 . 1 1 34 34 VAL N N 15 107.7 0.15 . 1 . . . . 201 Val N . 7124 1 333 . 1 1 35 35 GLY H H 1 7.5 0.05 . 1 . . . . 202 Gly H . 7124 1 334 . 1 1 35 35 GLY HA2 H 1 3.931 0.05 . 1 . . . . 202 Gly HA . 7124 1 335 . 1 1 35 35 GLY HA3 H 1 3.931 0.05 . 1 . . . . 202 Gly HA . 7124 1 336 . 1 1 35 35 GLY CA C 13 45.22 0.15 . 1 . . . . 202 Gly CA . 7124 1 337 . 1 1 35 35 GLY N N 15 110.3 0.15 . 1 . . . . 202 Gly N . 7124 1 338 . 1 1 36 36 ARG H H 1 8.949 0.05 . 1 . . . . 203 Arg H . 7124 1 339 . 1 1 36 36 ARG HA H 1 4.25 0.05 . 1 . . . . 203 Arg HA . 7124 1 340 . 1 1 36 36 ARG HB2 H 1 1.86 0.05 . 1 . . . . 203 Arg HB2 . 7124 1 341 . 1 1 36 36 ARG HB3 H 1 1.8 0.05 . 1 . . . . 203 Arg HB3 . 7124 1 342 . 1 1 36 36 ARG HG2 H 1 1.68 0.05 . 1 . . . . 203 Arg HG2 . 7124 1 343 . 1 1 36 36 ARG HG3 H 1 1.63 0.05 . 1 . . . . 203 Arg HG3 . 7124 1 344 . 1 1 36 36 ARG HD2 H 1 3.21 0.05 . 1 . . . . 203 Arg HD . 7124 1 345 . 1 1 36 36 ARG HD3 H 1 3.21 0.05 . 1 . . . . 203 Arg HD . 7124 1 346 . 1 1 36 36 ARG CA C 13 57.45 0.15 . 1 . . . . 203 Arg CA . 7124 1 347 . 1 1 36 36 ARG CB C 13 30.18 0.15 . 1 . . . . 203 Arg CB . 7124 1 348 . 1 1 36 36 ARG N N 15 118 0.15 . 1 . . . . 203 Arg N . 7124 1 349 . 1 1 37 37 HIS H H 1 7.554 0.05 . 1 . . . . 204 His H . 7124 1 350 . 1 1 37 37 HIS HA H 1 3.41 0.05 . 1 . . . . 204 His HA . 7124 1 351 . 1 1 37 37 HIS HB2 H 1 3.18 0.05 . 1 . . . . 204 His HB2 . 7124 1 352 . 1 1 37 37 HIS HB3 H 1 2.35 0.05 . 1 . . . . 204 His HB3 . 7124 1 353 . 1 1 37 37 HIS HE1 H 1 7.2 0.05 . 1 . . . . 204 His HE1 . 7124 1 354 . 1 1 37 37 HIS CA C 13 53.56 0.15 . 1 . . . . 204 His CA . 7124 1 355 . 1 1 37 37 HIS CB C 13 30.86 0.15 . 1 . . . . 204 His CB . 7124 1 356 . 1 1 37 37 HIS N N 15 116.1 0.15 . 1 . . . . 204 His N . 7124 1 357 . 1 1 38 38 ARG H H 1 7.047 0.05 . 1 . . . . 205 Arg H . 7124 1 358 . 1 1 38 38 ARG HA H 1 4.64 0.05 . 1 . . . . 205 Arg HA . 7124 1 359 . 1 1 38 38 ARG HB2 H 1 1.62 0.05 . 1 . . . . 205 Arg HB . 7124 1 360 . 1 1 38 38 ARG HB3 H 1 1.62 0.05 . 1 . . . . 205 Arg HB . 7124 1 361 . 1 1 38 38 ARG HG2 H 1 1.69 0.05 . 1 . . . . 205 Arg HG . 7124 1 362 . 1 1 38 38 ARG HG3 H 1 1.69 0.05 . 1 . . . . 205 Arg HG . 7124 1 363 . 1 1 38 38 ARG CA C 13 59.27 0.15 . 1 . . . . 205 Arg CA . 7124 1 364 . 1 1 38 38 ARG CB C 13 31.19 0.15 . 1 . . . . 205 Arg CB . 7124 1 365 . 1 1 38 38 ARG CG C 13 25.39 0.15 . 1 . . . . 205 Arg CG . 7124 1 366 . 1 1 38 38 ARG N N 15 121 0.15 . 1 . . . . 205 Arg N . 7124 1 367 . 1 1 39 39 ASP H H 1 8.655 0.05 . 1 . . . . 206 Asp H . 7124 1 368 . 1 1 39 39 ASP HA H 1 5.03 0.05 . 1 . . . . 206 Asp HA . 7124 1 369 . 1 1 39 39 ASP HB2 H 1 2.87 0.05 . 1 . . . . 206 Asp HB2 . 7124 1 370 . 1 1 39 39 ASP HB3 H 1 2.68 0.05 . 1 . . . . 206 Asp HB3 . 7124 1 371 . 1 1 39 39 ASP CA C 13 53.4 0.15 . 1 . . . . 206 Asp CA . 7124 1 372 . 1 1 39 39 ASP CB C 13 40.95 0.15 . 1 . . . . 206 Asp CB . 7124 1 373 . 1 1 39 39 ASP N N 15 117.5 0.15 . 1 . . . . 206 Asp N . 7124 1 374 . 1 1 40 40 HIS H H 1 7.509 0.05 . 1 . . . . 207 His H . 7124 1 375 . 1 1 40 40 HIS HA H 1 4.795 0.05 . 1 . . . . 207 His HA . 7124 1 376 . 1 1 40 40 HIS HB2 H 1 3.45 0.05 . 1 . . . . 207 His HB2 . 7124 1 377 . 1 1 40 40 HIS HB3 H 1 3.31 0.05 . 1 . . . . 207 His HB3 . 7124 1 378 . 1 1 40 40 HIS HD2 H 1 7.383 0.05 . 1 . . . . 207 His HD2 . 7124 1 379 . 1 1 40 40 HIS CA C 13 54.14 0.15 . 1 . . . . 207 His CA . 7124 1 380 . 1 1 40 40 HIS CB C 13 33.99 0.15 . 1 . . . . 207 His CB . 7124 1 381 . 1 1 40 40 HIS N N 15 119.3 0.15 . 1 . . . . 207 His N . 7124 1 382 . 1 1 41 41 GLN H H 1 8.026 0.05 . 1 . . . . 208 Gln H . 7124 1 383 . 1 1 41 41 GLN HA H 1 4.535 0.05 . 1 . . . . 208 Gln HA . 7124 1 384 . 1 1 41 41 GLN HB2 H 1 1.97 0.05 . 1 . . . . 208 Gln HB . 7124 1 385 . 1 1 41 41 GLN HB3 H 1 1.97 0.05 . 1 . . . . 208 Gln HB . 7124 1 386 . 1 1 41 41 GLN HG2 H 1 2.487 0.05 . 1 . . . . 208 Gln HG2 . 7124 1 387 . 1 1 41 41 GLN HG3 H 1 2.22 0.05 . 1 . . . . 208 Gln HG3 . 7124 1 388 . 1 1 41 41 GLN HE21 H 1 7.619 0.05 . 1 . . . . 208 Gln HE1 . 7124 1 389 . 1 1 41 41 GLN HE22 H 1 6.949 0.05 . 1 . . . . 208 Gln HE2 . 7124 1 390 . 1 1 41 41 GLN CA C 13 55.8 0.15 . 1 . . . . 208 Gln CA . 7124 1 391 . 1 1 41 41 GLN CB C 13 29.14 0.15 . 1 . . . . 208 Gln CB . 7124 1 392 . 1 1 41 41 GLN CG C 13 35.6 0.15 . 1 . . . . 208 Gln CG . 7124 1 393 . 1 1 41 41 GLN N N 15 121.9 0.15 . 1 . . . . 208 Gln N . 7124 1 394 . 1 1 41 41 GLN NE2 N 15 111.9 0.15 . 1 . . . . 208 Gln NE . 7124 1 395 . 1 1 42 42 VAL H H 1 8.546 0.05 . 1 . . . . 209 Val H . 7124 1 396 . 1 1 42 42 VAL HA H 1 5.528 0.05 . 1 . . . . 209 Val HA . 7124 1 397 . 1 1 42 42 VAL HB H 1 2.015 0.05 . 1 . . . . 209 Val HB . 7124 1 398 . 1 1 42 42 VAL HG11 H 1 0.89 0.05 . 1 . . . . 209 Val HG . 7124 1 399 . 1 1 42 42 VAL HG12 H 1 0.89 0.05 . 1 . . . . 209 Val HG . 7124 1 400 . 1 1 42 42 VAL HG13 H 1 0.89 0.05 . 1 . . . . 209 Val HG . 7124 1 401 . 1 1 42 42 VAL HG21 H 1 0.89 0.05 . 1 . . . . 209 Val HG . 7124 1 402 . 1 1 42 42 VAL HG22 H 1 0.89 0.05 . 1 . . . . 209 Val HG . 7124 1 403 . 1 1 42 42 VAL HG23 H 1 0.89 0.05 . 1 . . . . 209 Val HG . 7124 1 404 . 1 1 42 42 VAL CA C 13 59.52 0.15 . 1 . . . . 209 Val CA . 7124 1 405 . 1 1 42 42 VAL CB C 13 36.26 0.15 . 1 . . . . 209 Val CB . 7124 1 406 . 1 1 42 42 VAL CG1 C 13 22.72 0.15 . 1 . . . . 209 Val CG1 . 7124 1 407 . 1 1 42 42 VAL CG2 C 13 19.14 0.15 . 1 . . . . 209 Val CG2 . 7124 1 408 . 1 1 42 42 VAL N N 15 119.1 0.15 . 1 . . . . 209 Val N . 7124 1 409 . 1 1 43 43 ALA H H 1 9.498 0.05 . 1 . . . . 210 Ala H . 7124 1 410 . 1 1 43 43 ALA HA H 1 4.776 0.05 . 1 . . . . 210 Ala HA . 7124 1 411 . 1 1 43 43 ALA HB1 H 1 1.52 0.05 . 1 . . . . 210 Ala HB . 7124 1 412 . 1 1 43 43 ALA HB2 H 1 1.52 0.05 . 1 . . . . 210 Ala HB . 7124 1 413 . 1 1 43 43 ALA HB3 H 1 1.52 0.05 . 1 . . . . 210 Ala HB . 7124 1 414 . 1 1 43 43 ALA CA C 13 50.93 0.15 . 1 . . . . 210 Ala CA . 7124 1 415 . 1 1 43 43 ALA CB C 13 23.13 0.15 . 1 . . . . 210 Ala CB . 7124 1 416 . 1 1 43 43 ALA N N 15 125.8 0.15 . 1 . . . . 210 Ala N . 7124 1 417 . 1 1 44 44 ALA H H 1 8.616 0.05 . 1 . . . . 211 Ala H . 7124 1 418 . 1 1 44 44 ALA HA H 1 4.494 0.05 . 1 . . . . 211 Ala HA . 7124 1 419 . 1 1 44 44 ALA HB1 H 1 1.47 0.05 . 1 . . . . 211 Ala HB . 7124 1 420 . 1 1 44 44 ALA HB2 H 1 1.47 0.05 . 1 . . . . 211 Ala HB . 7124 1 421 . 1 1 44 44 ALA HB3 H 1 1.47 0.05 . 1 . . . . 211 Ala HB . 7124 1 422 . 1 1 44 44 ALA CA C 13 52.1 0.15 . 1 . . . . 211 Ala CA . 7124 1 423 . 1 1 44 44 ALA CB C 13 19.77 0.15 . 1 . . . . 211 Ala CB . 7124 1 424 . 1 1 44 44 ALA N N 15 123.5 0.15 . 1 . . . . 211 Ala N . 7124 1 425 . 1 1 45 45 LEU H H 1 8.16 0.05 . 1 . . . . 212 Leu H . 7124 1 426 . 1 1 45 45 LEU HA H 1 4.949 0.05 . 1 . . . . 212 Leu HA . 7124 1 427 . 1 1 45 45 LEU HB2 H 1 1.91 0.05 . 1 . . . . 212 Leu HB2 . 7124 1 428 . 1 1 45 45 LEU HB3 H 1 1.4 0.05 . 1 . . . . 212 Leu HB3 . 7124 1 429 . 1 1 45 45 LEU HD11 H 1 1.04 0.05 . 1 . . . . 212 Leu HD1 . 7124 1 430 . 1 1 45 45 LEU HD12 H 1 1.04 0.05 . 1 . . . . 212 Leu HD1 . 7124 1 431 . 1 1 45 45 LEU HD13 H 1 1.04 0.05 . 1 . . . . 212 Leu HD1 . 7124 1 432 . 1 1 45 45 LEU HD21 H 1 0.724 0.05 . 1 . . . . 212 Leu HD2 . 7124 1 433 . 1 1 45 45 LEU HD22 H 1 0.724 0.05 . 1 . . . . 212 Leu HD2 . 7124 1 434 . 1 1 45 45 LEU HD23 H 1 0.724 0.05 . 1 . . . . 212 Leu HD2 . 7124 1 435 . 1 1 45 45 LEU CA C 13 55.13 0.15 . 1 . . . . 212 Leu CA . 7124 1 436 . 1 1 45 45 LEU CB C 13 42.42 0.15 . 1 . . . . 212 Leu CB . 7124 1 437 . 1 1 45 45 LEU CD1 C 13 26.17 0.15 . 1 . . . . 212 Leu CD1 . 7124 1 438 . 1 1 45 45 LEU CD2 C 13 22.19 0.15 . 1 . . . . 212 Leu CD2 . 7124 1 439 . 1 1 45 45 LEU N N 15 120.5 0.15 . 1 . . . . 212 Leu N . 7124 1 440 . 1 1 46 46 SER H H 1 8.349 0.05 . 1 . . . . 213 Ser H . 7124 1 441 . 1 1 46 46 SER HA H 1 4.4 0.05 . 1 . . . . 213 Ser HA . 7124 1 442 . 1 1 46 46 SER HB2 H 1 3.86 0.05 . 1 . . . . 213 Ser HB . 7124 1 443 . 1 1 46 46 SER HB3 H 1 3.86 0.05 . 1 . . . . 213 Ser HB . 7124 1 444 . 1 1 46 46 SER CA C 13 58.26 0.15 . 1 . . . . 213 Ser CA . 7124 1 445 . 1 1 46 46 SER CB C 13 64.38 0.15 . 1 . . . . 213 Ser CB . 7124 1 446 . 1 1 46 46 SER N N 15 116.8 0.15 . 1 . . . . 213 Ser N . 7124 1 447 . 1 1 47 47 GLU H H 1 8.069 0.05 . 1 . . . . 214 Glu H . 7124 1 448 . 1 1 47 47 GLU HA H 1 4.148 0.05 . 1 . . . . 214 Glu HA . 7124 1 449 . 1 1 47 47 GLU HB2 H 1 1.895 0.05 . 1 . . . . 214 Glu HB . 7124 1 450 . 1 1 47 47 GLU HB3 H 1 1.895 0.05 . 1 . . . . 214 Glu HB . 7124 1 451 . 1 1 47 47 GLU CA C 13 58.64 0.15 . 1 . . . . 214 Glu CA . 7124 1 452 . 1 1 47 47 GLU CB C 13 31.65 0.15 . 1 . . . . 214 Glu CB . 7124 1 453 . 1 1 47 47 GLU N N 15 127.7 0.15 . 1 . . . . 214 Glu N . 7124 1 stop_ save_