data_4142 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4142 _Entry.Title ; 1H Chemical Shift Assignments of the Complex between Palmitate and a Non-Specific Lipid Transfer Protein (ns-LTP1) Isolated from Barley Seeds ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1998-05-18 _Entry.Accession_date 1998-05-18 _Entry.Last_release_date 1999-03-01 _Entry.Original_release_date 1999-03-01 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details ; The protein residues are reported first, followed by the ligand residue named PAL ; _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 Mathilde Lerche . H. . 4142 2 Flemming Poulsen . M. . 4142 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 4142 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 7 4142 '1H chemical shifts' 595 4142 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 . . 1999-03-01 1998-05-18 original author . 4142 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4142 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 99079127 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Lerche, M. H., and Poulsen, F. M., "Assignments of 1H and 13C Resonances in the Complex of Palmitate and a Non-specific Lipid Transfer Protein (ns-LTP) Isolated from Barley Seeds," J. Biomol. NMR. 12, 571-572 (1998). ; _Citation.Title ; Assignments of 1H and 13C Resonances in the Complex of Palmitate and a Non-specific Lipid Transfer Protein (ns-LTP) Isolated from Barley Seeds. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of Biomolecular NMR' _Citation.Journal_volume 12 _Citation.Journal_issue 4 _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 571 _Citation.Page_last 572 _Citation.Year 1998 _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 Mathilde Lerche . H. . 4142 1 2 Flemming Poulsen . M. . 4142 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID '1H assignment' 4142 1 complex 4142 1 ligand 4142 1 'lipid transfer protein (LTP)' 4142 1 NMR 4142 1 'non-specific lipid transfer protein (ns-LTP1)' 4142 1 protein 4142 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_ns-LTP1 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_ns-LTP1 _Assembly.Entry_ID 4142 _Assembly.ID 1 _Assembly.Name ns-LTP1 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4142 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 ns-LTP1 1 $ns-LTP1 . . . native . . . . . 4142 1 2 'Palmitic acid' 2 $PLM . . . native . . . . . 4142 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . . CYS 3 3 SG . 1 . 1 CYS 50 50 SG . . . . . . . . . . 4142 1 2 disulfide single . 1 . . CYS 13 13 SG . 1 . 1 CYS 27 27 SG . . . . . . . . . . 4142 1 3 disulfide single . 1 . . CYS 28 28 SG . 1 . 1 CYS 73 73 SG . . . . . . . . . . 4142 1 4 disulfide single . 1 . . CYS 48 48 SG . 1 . 1 CYS 87 87 SG . . . . . . . . . . 4142 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID 1 . 1 1 CYS 3 3 HG . . . . 4142 1 2 . 1 1 CYS 13 13 HG . . . . 4142 1 3 . 1 1 CYS 27 27 HG . . . . 4142 1 4 . 1 1 CYS 28 28 HG . . . . 4142 1 5 . 1 1 CYS 48 48 HG . . . . 4142 1 6 . 1 1 CYS 50 50 HG . . . . 4142 1 7 . 1 1 CYS 73 73 HG . . . . 4142 1 8 . 1 1 CYS 87 87 HG . . . . 4142 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID ns-LTP1 abbreviation 4142 1 ns-LTP1 system 4142 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID ; unknown, possible role in the plant defense against pathogens or in the formation of cutin layers. ; 4142 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ns-LTP1 _Entity.Sf_category entity _Entity.Sf_framecode ns-LTP1 _Entity.Entry_ID 4142 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name LTP _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 ; LNCGQVDSKMKPCLTYVQGG PGPSGECCNGVRDLHNQAQS SGDRQTVCNCLKGIARGIHN LNLNNAASIPSKCNVNVPYT ISPDIDCSRIY ; _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 . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 91 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9694 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; The peptide bond between residues 22 and 23 is in the cis configuration. ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 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 BMRB 15143 . nsLTP1b . . . . . 100.00 91 100.00 100.00 4.76e-58 . . . . 4142 1 2 no PDB 1BE2 . "Lipid Transfer Protein Complexed With Palmitate, Nmr, 10 Structures" . . . . . 98.90 91 100.00 100.00 5.90e-57 . . . . 4142 1 3 no PDB 1JTB . "Lipid Transfer Protein Complexed With Palmitoyl Coenzyme A, Nmr, 16 Structures" . . . . . 98.90 91 100.00 100.00 5.90e-57 . . . . 4142 1 4 no PDB 1LIP . "Barley Lipid Transfer Protein (Nmr, 4 Structures)" . . . . . 98.90 91 100.00 100.00 5.90e-57 . . . . 4142 1 5 no PDB 1MID . "Non-Specific Lipid Transfer Protein 1 From Barley In Complex With L-Alfa-Lysophosphatidylcholine, Laudoyl" . . . . . 100.00 91 100.00 100.00 4.76e-58 . . . . 4142 1 6 no PDB 3GSH . "Three-Dimensional Structure Of A Post Translational Modified Barley Ltp1" . . . . . 100.00 91 100.00 100.00 4.76e-58 . . . . 4142 1 7 no DBJ BAK05317 . "predicted protein [Hordeum vulgare subsp. vulgare]" . . . . . 100.00 117 100.00 100.00 1.91e-59 . . . . 4142 1 8 no EMBL CAA28805 . "unnamed protein product [Hordeum vulgare]" . . . . . 100.00 117 100.00 100.00 2.00e-59 . . . . 4142 1 9 no EMBL CAA41946 . "lipid transfer protein [Hordeum vulgare subsp. vulgare]" . . . . . 100.00 117 100.00 100.00 2.00e-59 . . . . 4142 1 10 no EMBL CAA42832 . "LTP 1, partial [Hordeum vulgare]" . . . . . 98.90 134 98.89 98.89 2.74e-58 . . . . 4142 1 11 no EMBL CAP16136 . "non-specific lipid transport protein 1 precursor [Hordeum vulgare]" . . . . . 100.00 117 100.00 100.00 2.00e-59 . . . . 4142 1 12 no GB AAA32970 . "amylase/protease inhibitor [Hordeum vulgare]" . . . . . 100.00 117 100.00 100.00 2.00e-59 . . . . 4142 1 13 no SP P07597 . "RecName: Full=Non-specific lipid-transfer protein 1; Short=LTP 1; AltName: Full=Probable amylase/protease inhibitor; Flags: Pre" . . . . . 100.00 117 100.00 100.00 2.00e-59 . . . . 4142 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID LTP common 4142 1 ns-LTP1 abbreviation 4142 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 . LEU . 4142 1 2 . ASN . 4142 1 3 . CYS . 4142 1 4 . GLY . 4142 1 5 . GLN . 4142 1 6 . VAL . 4142 1 7 . ASP . 4142 1 8 . SER . 4142 1 9 . LYS . 4142 1 10 . MET . 4142 1 11 . LYS . 4142 1 12 . PRO . 4142 1 13 . CYS . 4142 1 14 . LEU . 4142 1 15 . THR . 4142 1 16 . TYR . 4142 1 17 . VAL . 4142 1 18 . GLN . 4142 1 19 . GLY . 4142 1 20 . GLY . 4142 1 21 . PRO . 4142 1 22 . GLY . 4142 1 23 . PRO . 4142 1 24 . SER . 4142 1 25 . GLY . 4142 1 26 . GLU . 4142 1 27 . CYS . 4142 1 28 . CYS . 4142 1 29 . ASN . 4142 1 30 . GLY . 4142 1 31 . VAL . 4142 1 32 . ARG . 4142 1 33 . ASP . 4142 1 34 . LEU . 4142 1 35 . HIS . 4142 1 36 . ASN . 4142 1 37 . GLN . 4142 1 38 . ALA . 4142 1 39 . GLN . 4142 1 40 . SER . 4142 1 41 . SER . 4142 1 42 . GLY . 4142 1 43 . ASP . 4142 1 44 . ARG . 4142 1 45 . GLN . 4142 1 46 . THR . 4142 1 47 . VAL . 4142 1 48 . CYS . 4142 1 49 . ASN . 4142 1 50 . CYS . 4142 1 51 . LEU . 4142 1 52 . LYS . 4142 1 53 . GLY . 4142 1 54 . ILE . 4142 1 55 . ALA . 4142 1 56 . ARG . 4142 1 57 . GLY . 4142 1 58 . ILE . 4142 1 59 . HIS . 4142 1 60 . ASN . 4142 1 61 . LEU . 4142 1 62 . ASN . 4142 1 63 . LEU . 4142 1 64 . ASN . 4142 1 65 . ASN . 4142 1 66 . ALA . 4142 1 67 . ALA . 4142 1 68 . SER . 4142 1 69 . ILE . 4142 1 70 . PRO . 4142 1 71 . SER . 4142 1 72 . LYS . 4142 1 73 . CYS . 4142 1 74 . ASN . 4142 1 75 . VAL . 4142 1 76 . ASN . 4142 1 77 . VAL . 4142 1 78 . PRO . 4142 1 79 . TYR . 4142 1 80 . THR . 4142 1 81 . ILE . 4142 1 82 . SER . 4142 1 83 . PRO . 4142 1 84 . ASP . 4142 1 85 . ILE . 4142 1 86 . ASP . 4142 1 87 . CYS . 4142 1 88 . SER . 4142 1 89 . ARG . 4142 1 90 . ILE . 4142 1 91 . TYR . 4142 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 . LEU 1 1 4142 1 . ASN 2 2 4142 1 . CYS 3 3 4142 1 . GLY 4 4 4142 1 . GLN 5 5 4142 1 . VAL 6 6 4142 1 . ASP 7 7 4142 1 . SER 8 8 4142 1 . LYS 9 9 4142 1 . MET 10 10 4142 1 . LYS 11 11 4142 1 . PRO 12 12 4142 1 . CYS 13 13 4142 1 . LEU 14 14 4142 1 . THR 15 15 4142 1 . TYR 16 16 4142 1 . VAL 17 17 4142 1 . GLN 18 18 4142 1 . GLY 19 19 4142 1 . GLY 20 20 4142 1 . PRO 21 21 4142 1 . GLY 22 22 4142 1 . PRO 23 23 4142 1 . SER 24 24 4142 1 . GLY 25 25 4142 1 . GLU 26 26 4142 1 . CYS 27 27 4142 1 . CYS 28 28 4142 1 . ASN 29 29 4142 1 . GLY 30 30 4142 1 . VAL 31 31 4142 1 . ARG 32 32 4142 1 . ASP 33 33 4142 1 . LEU 34 34 4142 1 . HIS 35 35 4142 1 . ASN 36 36 4142 1 . GLN 37 37 4142 1 . ALA 38 38 4142 1 . GLN 39 39 4142 1 . SER 40 40 4142 1 . SER 41 41 4142 1 . GLY 42 42 4142 1 . ASP 43 43 4142 1 . ARG 44 44 4142 1 . GLN 45 45 4142 1 . THR 46 46 4142 1 . VAL 47 47 4142 1 . CYS 48 48 4142 1 . ASN 49 49 4142 1 . CYS 50 50 4142 1 . LEU 51 51 4142 1 . LYS 52 52 4142 1 . GLY 53 53 4142 1 . ILE 54 54 4142 1 . ALA 55 55 4142 1 . ARG 56 56 4142 1 . GLY 57 57 4142 1 . ILE 58 58 4142 1 . HIS 59 59 4142 1 . ASN 60 60 4142 1 . LEU 61 61 4142 1 . ASN 62 62 4142 1 . LEU 63 63 4142 1 . ASN 64 64 4142 1 . ASN 65 65 4142 1 . ALA 66 66 4142 1 . ALA 67 67 4142 1 . SER 68 68 4142 1 . ILE 69 69 4142 1 . PRO 70 70 4142 1 . SER 71 71 4142 1 . LYS 72 72 4142 1 . CYS 73 73 4142 1 . ASN 74 74 4142 1 . VAL 75 75 4142 1 . ASN 76 76 4142 1 . VAL 77 77 4142 1 . PRO 78 78 4142 1 . TYR 79 79 4142 1 . THR 80 80 4142 1 . ILE 81 81 4142 1 . SER 82 82 4142 1 . PRO 83 83 4142 1 . ASP 84 84 4142 1 . ILE 85 85 4142 1 . ASP 86 86 4142 1 . CYS 87 87 4142 1 . SER 88 88 4142 1 . ARG 89 89 4142 1 . ILE 90 90 4142 1 . TYR 91 91 4142 1 stop_ save_ save_PLM _Entity.Sf_category entity _Entity.Sf_framecode PLM _Entity.Entry_ID 4142 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name PLM _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 PLM _Entity.Nonpolymer_comp_label $chem_comp_PLM _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . PLM . 4142 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 4142 _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 $ns-LTP1 . 4513 organism . 'Hordeum vulgare' barley . . EuKaryota Viridiplantae Hordeum vulgare . . . . . . . . . . . . . . . . . . . . . 4142 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 4142 _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 $ns-LTP1 . 'purified from the natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4142 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_PLM _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_PLM _Chem_comp.Entry_ID 4142 _Chem_comp.ID PLM _Chem_comp.Provenance . _Chem_comp.Name 'PALMITIC ACID' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code PLM _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 FAT,PLY _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code PLM _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 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C16 H32 O2' _Chem_comp.Formula_weight 256.424 _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 1LIE _Chem_comp.Processing_site PDBJ _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 Wed Jul 13 14:28:11 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CCCCCCCCCCCCCCCC(=O)O SMILES 'OpenEye OEToolkits' 1.5.0 4142 PLM CCCCCCCCCCCCCCCC(=O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 4142 PLM CCCCCCCCCCCCCCCC(O)=O SMILES CACTVS 3.341 4142 PLM CCCCCCCCCCCCCCCC(O)=O SMILES_CANONICAL CACTVS 3.341 4142 PLM InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18) InChI InChI 1.03 4142 PLM IPCSVZSSVZVIGE-UHFFFAOYSA-N InChIKey InChI 1.03 4142 PLM O=C(O)CCCCCCCCCCCCCCC SMILES ACDLabs 10.04 4142 PLM 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 'hexadecanoic acid' 'SYSTEMATIC NAME' ACDLabs 10.04 4142 PLM 'hexadecanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 4142 PLM 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 C1 . C1 . . C . . N 0 . . . . no no . . . . -44.797 . 67.181 . -6.007 . 0.142 0.001 -8.190 1 . 4142 PLM O1 . O1 . . O . . N 0 . . . . no yes . . . . -45.197 . 66.011 . -6.150 . -0.449 -0.004 -9.395 2 . 4142 PLM O2 . O2 . . O . . N 0 . . . . no no . . . . -43.601 . 67.509 . -6.162 . 1.347 0.014 -8.109 3 . 4142 PLM C2 . C2 . . C . . N 0 . . . . no no . . . . -45.810 . 68.243 . -5.609 . -0.697 -0.007 -6.939 4 . 4142 PLM C3 . C3 . . C . . N 0 . . . . no no . . . . -45.543 . 69.607 . -6.238 . 0.215 0.002 -5.711 5 . 4142 PLM C4 . C4 . . C . . N 0 . . . . no no . . . . -46.461 . 70.654 . -5.622 . -0.636 -0.007 -4.441 6 . 4142 PLM C5 . C5 . . C . . N 0 . . . . no no . . . . -46.177 . 72.051 . -6.141 . 0.276 0.003 -3.214 7 . 4142 PLM C6 . C6 . . C . . N 0 . . . . no no . . . . -46.910 . 72.314 . -7.437 . -0.576 -0.006 -1.943 8 . 4142 PLM C7 . C7 . . C . . N 0 . . . . no no . . . . -48.412 . 72.321 . -7.219 . 0.337 0.003 -0.716 9 . 4142 PLM C8 . C8 . . C . . N 0 . . . . no no . . . . -49.152 . 72.429 . -8.534 . -0.515 -0.005 0.553 10 . 4142 PLM C9 . C9 . . C . . N 0 . . . . no no . . . . -50.654 . 72.326 . -8.324 . 0.398 0.004 1.781 11 . 4142 PLM CA . CA . . C . . N 0 . . . . no no . . . . -51.400 . 72.369 . -9.642 . -0.454 -0.005 3.051 12 . 4142 PLM CB . CB . . C . . N 0 . . . . no no . . . . -51.090 . 71.161 . -10.508 . 0.459 0.005 4.279 13 . 4142 PLM CC . CC . . C . . N 0 . . . . no no . . . . -51.661 . 71.343 . -11.904 . -0.393 -0.004 5.549 14 . 4142 PLM CD . CD . . C . . N 0 . . . . no no . . . . -51.577 . 70.068 . -12.725 . 0.520 0.005 6.776 15 . 4142 PLM CE . CE . . C . . N 0 . . . . no no . . . . -51.979 . 70.319 . -14.179 . -0.332 -0.003 8.047 16 . 4142 PLM CF . CF . . C . . N 0 . . . . no no . . . . -53.353 . 70.967 . -14.294 . 0.580 0.006 9.274 17 . 4142 PLM CG . CG . . C . . N 0 . . . . no no . . . . -53.698 . 71.281 . -15.743 . -0.271 -0.003 10.544 18 . 4142 PLM H . H . . H . . N 0 . . . . no no . . . . -46.106 . 65.761 . -6.032 . 0.089 0.001 -10.198 19 . 4142 PLM H21 . H21 . . H . . N 0 . . . . no no . . . . -46.847 . 67.901 . -5.833 . -1.317 -0.904 -6.923 20 . 4142 PLM H22 . H22 . . H . . N 0 . . . . no no . . . . -45.877 . 68.327 . -4.499 . -1.336 0.875 -6.923 21 . 4142 PLM H31 . H31 . . H . . N 0 . . . . no no . . . . -44.469 . 69.897 . -6.164 . 0.835 0.899 -5.727 22 . 4142 PLM H32 . H32 . . H . . N 0 . . . . no no . . . . -45.628 . 69.578 . -7.349 . 0.854 -0.880 -5.727 23 . 4142 PLM H41 . H41 . . H . . N 0 . . . . no no . . . . -47.532 . 70.382 . -5.765 . -1.256 -0.903 -4.426 24 . 4142 PLM H42 . H42 . . H . . N 0 . . . . no no . . . . -46.415 . 70.622 . -4.508 . -1.275 0.876 -4.426 25 . 4142 PLM H51 . H51 . . H . . N 0 . . . . no no . . . . -46.408 . 72.827 . -5.374 . 0.896 0.899 -3.229 26 . 4142 PLM H52 . H52 . . H . . N 0 . . . . no no . . . . -45.082 . 72.234 . -6.245 . 0.915 -0.880 -3.229 27 . 4142 PLM H61 . H61 . . H . . N 0 . . . . no no . . . . -46.560 . 73.254 . -7.924 . -1.195 -0.903 -1.928 28 . 4142 PLM H62 . H62 . . H . . N 0 . . . . no no . . . . -46.612 . 71.590 . -8.232 . -1.214 0.876 -1.928 29 . 4142 PLM H71 . H71 . . H . . N 0 . . . . no no . . . . -48.745 . 71.434 . -6.631 . 0.956 0.900 -0.731 30 . 4142 PLM H72 . H72 . . H . . N 0 . . . . no no . . . . -48.720 . 73.122 . -6.507 . 0.976 -0.879 -0.731 31 . 4142 PLM H81 . H81 . . H . . N 0 . . . . no no . . . . -48.876 . 73.358 . -9.085 . -1.134 -0.902 0.569 32 . 4142 PLM H82 . H82 . . H . . N 0 . . . . no no . . . . -48.787 . 71.678 . -9.273 . -1.154 0.877 0.569 33 . 4142 PLM H91 . H91 . . H . . N 0 . . . . no no . . . . -50.922 . 71.420 . -7.731 . 1.017 0.901 1.766 34 . 4142 PLM H92 . H92 . . H . . N 0 . . . . no no . . . . -51.022 . 73.107 . -7.619 . 1.037 -0.878 1.766 35 . 4142 PLM HA1 . HA1 . . H . . N 0 . . . . no no . . . . -52.497 . 72.482 . -9.482 . -1.073 -0.901 3.067 36 . 4142 PLM HA2 . HA2 . . H . . N 0 . . . . no no . . . . -51.202 . 73.320 . -10.188 . -1.093 0.878 3.067 37 . 4142 PLM HB1 . HB1 . . H . . N 0 . . . . no no . . . . -49.997 . 70.939 . -10.533 . 1.078 0.901 4.263 38 . 4142 PLM HB2 . HB2 . . H . . N 0 . . . . no no . . . . -51.441 . 70.213 . -10.037 . 1.098 -0.878 4.263 39 . 4142 PLM HC1 . HC1 . . H . . N 0 . . . . no no . . . . -52.705 . 71.731 . -11.866 . -1.012 -0.901 5.564 40 . 4142 PLM HC2 . HC2 . . H . . N 0 . . . . no no . . . . -51.174 . 72.196 . -12.431 . -1.032 0.878 5.564 41 . 4142 PLM HD1 . HD1 . . H . . N 0 . . . . no no . . . . -50.567 . 69.600 . -12.653 . 1.139 0.902 6.761 42 . 4142 PLM HD2 . HD2 . . H . . N 0 . . . . no no . . . . -52.178 . 69.246 . -12.269 . 1.158 -0.877 6.761 43 . 4142 PLM HE1 . HE1 . . H . . N 0 . . . . no no . . . . -51.205 . 70.917 . -14.713 . -0.952 -0.900 8.062 44 . 4142 PLM HE2 . HE2 . . H . . N 0 . . . . no no . . . . -51.924 . 69.381 . -14.779 . -0.971 0.879 8.062 45 . 4142 PLM HF1 . HF1 . . H . . N 0 . . . . no no . . . . -54.141 . 70.342 . -13.812 . 1.200 0.903 9.259 46 . 4142 PLM HF2 . HF2 . . H . . N 0 . . . . no no . . . . -53.433 . 71.872 . -13.649 . 1.219 -0.876 9.259 47 . 4142 PLM HG1 . HG1 . . H . . N 0 . . . . no no . . . . -54.703 . 71.755 . -15.827 . 0.379 0.004 11.419 48 . 4142 PLM HG2 . HG2 . . H . . N 0 . . . . no no . . . . -52.909 . 71.905 . -16.225 . -0.910 0.880 10.560 49 . 4142 PLM HG3 . HG3 . . H . . N 0 . . . . no no . . . . -53.617 . 70.375 . -16.388 . -0.891 -0.899 10.560 50 . 4142 PLM stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING C1 O1 no N 1 . 4142 PLM 2 . DOUB C1 O2 no N 2 . 4142 PLM 3 . SING C1 C2 no N 3 . 4142 PLM 4 . SING O1 H no N 4 . 4142 PLM 5 . SING C2 C3 no N 5 . 4142 PLM 6 . SING C2 H21 no N 6 . 4142 PLM 7 . SING C2 H22 no N 7 . 4142 PLM 8 . SING C3 C4 no N 8 . 4142 PLM 9 . SING C3 H31 no N 9 . 4142 PLM 10 . SING C3 H32 no N 10 . 4142 PLM 11 . SING C4 C5 no N 11 . 4142 PLM 12 . SING C4 H41 no N 12 . 4142 PLM 13 . SING C4 H42 no N 13 . 4142 PLM 14 . SING C5 C6 no N 14 . 4142 PLM 15 . SING C5 H51 no N 15 . 4142 PLM 16 . SING C5 H52 no N 16 . 4142 PLM 17 . SING C6 C7 no N 17 . 4142 PLM 18 . SING C6 H61 no N 18 . 4142 PLM 19 . SING C6 H62 no N 19 . 4142 PLM 20 . SING C7 C8 no N 20 . 4142 PLM 21 . SING C7 H71 no N 21 . 4142 PLM 22 . SING C7 H72 no N 22 . 4142 PLM 23 . SING C8 C9 no N 23 . 4142 PLM 24 . SING C8 H81 no N 24 . 4142 PLM 25 . SING C8 H82 no N 25 . 4142 PLM 26 . SING C9 CA no N 26 . 4142 PLM 27 . SING C9 H91 no N 27 . 4142 PLM 28 . SING C9 H92 no N 28 . 4142 PLM 29 . SING CA CB no N 29 . 4142 PLM 30 . SING CA HA1 no N 30 . 4142 PLM 31 . SING CA HA2 no N 31 . 4142 PLM 32 . SING CB CC no N 32 . 4142 PLM 33 . SING CB HB1 no N 33 . 4142 PLM 34 . SING CB HB2 no N 34 . 4142 PLM 35 . SING CC CD no N 35 . 4142 PLM 36 . SING CC HC1 no N 36 . 4142 PLM 37 . SING CC HC2 no N 37 . 4142 PLM 38 . SING CD CE no N 38 . 4142 PLM 39 . SING CD HD1 no N 39 . 4142 PLM 40 . SING CD HD2 no N 40 . 4142 PLM 41 . SING CE CF no N 41 . 4142 PLM 42 . SING CE HE1 no N 42 . 4142 PLM 43 . SING CE HE2 no N 43 . 4142 PLM 44 . SING CF CG no N 44 . 4142 PLM 45 . SING CF HF1 no N 45 . 4142 PLM 46 . SING CF HF2 no N 46 . 4142 PLM 47 . SING CG HG1 no N 47 . 4142 PLM 48 . SING CG HG2 no N 48 . 4142 PLM 49 . SING CG HG3 no N 49 . 4142 PLM stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4142 _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 LTP . . . 1 $ns-LTP1 . . 2.1 . . mM . . . . 4142 1 2 H2O . . . . . . . 90 . . % . . . . 4142 1 3 D2O . . . . . . . 10 . . % . . . . 4142 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_one _Sample_condition_list.Entry_ID 4142 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.2 . na 4142 1 temperature 310 . K 4142 1 stop_ save_ ############################ # Computer software used # ############################ save_software_PRONTO _Software.Sf_category software _Software.Sf_framecode software_PRONTO _Software.Entry_ID 4142 _Software.ID 1 _Software.Name PRONTO _Software.Version 970801 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Carlsberg A/S' 'Gamle Carlsberg Vej 10, DK-2500 Valby' fmp@crc.dk 4142 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID assignments 4142 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 4142 _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 . . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . 1 $spectrometer_list . . . . . . . . . . . . . . . . 4142 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_one _Chem_shift_reference.Entry_ID 4142 _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 TMS 'methyl carbons' . . . . ppm 0.0 internal direct . . . . 1 $entry_citation . . 1 $entry_citation 4142 1 H 1 TMS 'methyl protons' . . . . ppm 0.0 internal direct . . . . 1 $entry_citation . . 1 $entry_citation 4142 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_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_one _Assigned_chem_shift_list.Entry_ID 4142 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _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 $sample_one . 4142 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 LEU HA H 1 4.30 . . 1 . . . . . . . . 4142 1 2 . 1 1 1 1 LEU HB2 H 1 2.27 . . 1 . . . . . . . . 4142 1 3 . 1 1 1 1 LEU HB3 H 1 2.27 . . 1 . . . . . . . . 4142 1 4 . 1 1 1 1 LEU HG H 1 1.53 . . 1 . . . . . . . . 4142 1 5 . 1 1 1 1 LEU HD11 H 1 0.85 . . 2 . . . . . . . . 4142 1 6 . 1 1 1 1 LEU HD12 H 1 0.85 . . 2 . . . . . . . . 4142 1 7 . 1 1 1 1 LEU HD13 H 1 0.85 . . 2 . . . . . . . . 4142 1 8 . 1 1 1 1 LEU HD21 H 1 0.80 . . 2 . . . . . . . . 4142 1 9 . 1 1 1 1 LEU HD22 H 1 0.80 . . 2 . . . . . . . . 4142 1 10 . 1 1 1 1 LEU HD23 H 1 0.80 . . 2 . . . . . . . . 4142 1 11 . 1 1 2 2 ASN HA H 1 4.96 . . 1 . . . . . . . . 4142 1 12 . 1 1 2 2 ASN HB2 H 1 2.94 . . 2 . . . . . . . . 4142 1 13 . 1 1 2 2 ASN HB3 H 1 3.16 . . 2 . . . . . . . . 4142 1 14 . 1 1 3 3 CYS HB2 H 1 3.38 . . 2 . . . . . . . . 4142 1 15 . 1 1 3 3 CYS HB3 H 1 2.91 . . 2 . . . . . . . . 4142 1 16 . 1 1 4 4 GLY H H 1 8.74 . . 1 . . . . . . . . 4142 1 17 . 1 1 4 4 GLY HA2 H 1 3.81 . . 2 . . . . . . . . 4142 1 18 . 1 1 4 4 GLY HA3 H 1 3.96 . . 2 . . . . . . . . 4142 1 19 . 1 1 5 5 GLN H H 1 7.92 . . 1 . . . . . . . . 4142 1 20 . 1 1 5 5 GLN HA H 1 4.24 . . 1 . . . . . . . . 4142 1 21 . 1 1 5 5 GLN HB2 H 1 2.01 . . 2 . . . . . . . . 4142 1 22 . 1 1 5 5 GLN HB3 H 1 2.34 . . 2 . . . . . . . . 4142 1 23 . 1 1 5 5 GLN HG2 H 1 2.53 . . 1 . . . . . . . . 4142 1 24 . 1 1 5 5 GLN HG3 H 1 2.53 . . 1 . . . . . . . . 4142 1 25 . 1 1 6 6 VAL H H 1 7.50 . . 1 . . . . . . . . 4142 1 26 . 1 1 6 6 VAL HA H 1 3.55 . . 1 . . . . . . . . 4142 1 27 . 1 1 6 6 VAL HB H 1 2.29 . . 1 . . . . . . . . 4142 1 28 . 1 1 6 6 VAL HG11 H 1 1.07 . . 2 . . . . . . . . 4142 1 29 . 1 1 6 6 VAL HG12 H 1 1.07 . . 2 . . . . . . . . 4142 1 30 . 1 1 6 6 VAL HG13 H 1 1.07 . . 2 . . . . . . . . 4142 1 31 . 1 1 6 6 VAL HG21 H 1 0.90 . . 2 . . . . . . . . 4142 1 32 . 1 1 6 6 VAL HG22 H 1 0.90 . . 2 . . . . . . . . 4142 1 33 . 1 1 6 6 VAL HG23 H 1 0.90 . . 2 . . . . . . . . 4142 1 34 . 1 1 7 7 ASP H H 1 8.50 . . 1 . . . . . . . . 4142 1 35 . 1 1 7 7 ASP HA H 1 4.18 . . 1 . . . . . . . . 4142 1 36 . 1 1 7 7 ASP HB2 H 1 2.76 . . 1 . . . . . . . . 4142 1 37 . 1 1 7 7 ASP HB3 H 1 2.76 . . 1 . . . . . . . . 4142 1 38 . 1 1 8 8 SER H H 1 7.86 . . 1 . . . . . . . . 4142 1 39 . 1 1 8 8 SER HA H 1 4.95 . . 1 . . . . . . . . 4142 1 40 . 1 1 8 8 SER HB2 H 1 4.03 . . 2 . . . . . . . . 4142 1 41 . 1 1 8 8 SER HB3 H 1 4.25 . . 2 . . . . . . . . 4142 1 42 . 1 1 9 9 LYS H H 1 7.74 . . 1 . . . . . . . . 4142 1 43 . 1 1 9 9 LYS HA H 1 4.23 . . 1 . . . . . . . . 4142 1 44 . 1 1 9 9 LYS HB2 H 1 2.14 . . 2 . . . . . . . . 4142 1 45 . 1 1 9 9 LYS HB3 H 1 2.01 . . 2 . . . . . . . . 4142 1 46 . 1 1 9 9 LYS HG2 H 1 1.70 . . 2 . . . . . . . . 4142 1 47 . 1 1 9 9 LYS HG3 H 1 1.61 . . 2 . . . . . . . . 4142 1 48 . 1 1 9 9 LYS HD2 H 1 1.76 . . 2 . . . . . . . . 4142 1 49 . 1 1 9 9 LYS HD3 H 1 1.82 . . 2 . . . . . . . . 4142 1 50 . 1 1 9 9 LYS HE2 H 1 2.99 . . 2 . . . . . . . . 4142 1 51 . 1 1 9 9 LYS HE3 H 1 2.73 . . 2 . . . . . . . . 4142 1 52 . 1 1 10 10 MET H H 1 7.74 . . 1 . . . . . . . . 4142 1 53 . 1 1 10 10 MET HA H 1 4.84 . . 1 . . . . . . . . 4142 1 54 . 1 1 10 10 MET HB2 H 1 2.00 . . 2 . . . . . . . . 4142 1 55 . 1 1 10 10 MET HB3 H 1 2.13 . . 2 . . . . . . . . 4142 1 56 . 1 1 10 10 MET HG2 H 1 2.57 . . 2 . . . . . . . . 4142 1 57 . 1 1 10 10 MET HG3 H 1 2.44 . . 2 . . . . . . . . 4142 1 58 . 1 1 10 10 MET HE1 H 1 1.92 . . 1 . . . . . . . . 4142 1 59 . 1 1 10 10 MET HE2 H 1 1.92 . . 1 . . . . . . . . 4142 1 60 . 1 1 10 10 MET HE3 H 1 1.92 . . 1 . . . . . . . . 4142 1 61 . 1 1 11 11 LYS H H 1 7.92 . . 1 . . . . . . . . 4142 1 62 . 1 1 11 11 LYS HA H 1 4.16 . . 1 . . . . . . . . 4142 1 63 . 1 1 11 11 LYS HB2 H 1 2.14 . . 2 . . . . . . . . 4142 1 64 . 1 1 11 11 LYS HB3 H 1 2.01 . . 2 . . . . . . . . 4142 1 65 . 1 1 11 11 LYS HG2 H 1 1.61 . . 2 . . . . . . . . 4142 1 66 . 1 1 11 11 LYS HG3 H 1 1.56 . . 2 . . . . . . . . 4142 1 67 . 1 1 11 11 LYS HD2 H 1 1.81 . . 2 . . . . . . . . 4142 1 68 . 1 1 11 11 LYS HD3 H 1 2.19 . . 2 . . . . . . . . 4142 1 69 . 1 1 11 11 LYS HE2 H 1 3.73 . . 1 . . . . . . . . 4142 1 70 . 1 1 11 11 LYS HE3 H 1 3.73 . . 1 . . . . . . . . 4142 1 71 . 1 1 12 12 PRO HB2 H 1 1.35 . . 2 . . . . . . . . 4142 1 72 . 1 1 12 12 PRO HB3 H 1 2.13 . . 2 . . . . . . . . 4142 1 73 . 1 1 12 12 PRO HG2 H 1 1.90 . . 2 . . . . . . . . 4142 1 74 . 1 1 12 12 PRO HG3 H 1 2.01 . . 2 . . . . . . . . 4142 1 75 . 1 1 12 12 PRO HD2 H 1 3.65 . . 2 . . . . . . . . 4142 1 76 . 1 1 12 12 PRO HD3 H 1 3.84 . . 2 . . . . . . . . 4142 1 77 . 1 1 13 13 CYS H H 1 8.69 . . 1 . . . . . . . . 4142 1 78 . 1 1 13 13 CYS HA H 1 4.81 . . 1 . . . . . . . . 4142 1 79 . 1 1 13 13 CYS HB2 H 1 3.28 . . 2 . . . . . . . . 4142 1 80 . 1 1 13 13 CYS HB3 H 1 3.22 . . 2 . . . . . . . . 4142 1 81 . 1 1 14 14 LEU H H 1 8.24 . . 1 . . . . . . . . 4142 1 82 . 1 1 14 14 LEU HA H 1 3.87 . . 1 . . . . . . . . 4142 1 83 . 1 1 14 14 LEU HB2 H 1 1.75 . . 2 . . . . . . . . 4142 1 84 . 1 1 14 14 LEU HB3 H 1 1.68 . . 2 . . . . . . . . 4142 1 85 . 1 1 14 14 LEU HG H 1 1.40 . . 1 . . . . . . . . 4142 1 86 . 1 1 14 14 LEU HD11 H 1 0.95 . . 2 . . . . . . . . 4142 1 87 . 1 1 14 14 LEU HD12 H 1 0.95 . . 2 . . . . . . . . 4142 1 88 . 1 1 14 14 LEU HD13 H 1 0.95 . . 2 . . . . . . . . 4142 1 89 . 1 1 14 14 LEU HD21 H 1 0.89 . . 2 . . . . . . . . 4142 1 90 . 1 1 14 14 LEU HD22 H 1 0.89 . . 2 . . . . . . . . 4142 1 91 . 1 1 14 14 LEU HD23 H 1 0.89 . . 2 . . . . . . . . 4142 1 92 . 1 1 15 15 THR H H 1 8.38 . . 1 . . . . . . . . 4142 1 93 . 1 1 15 15 THR HA H 1 4.09 . . 1 . . . . . . . . 4142 1 94 . 1 1 15 15 THR HB H 1 4.26 . . 1 . . . . . . . . 4142 1 95 . 1 1 15 15 THR HG21 H 1 1.41 . . 1 . . . . . . . . 4142 1 96 . 1 1 15 15 THR HG22 H 1 1.41 . . 1 . . . . . . . . 4142 1 97 . 1 1 15 15 THR HG23 H 1 1.41 . . 1 . . . . . . . . 4142 1 98 . 1 1 16 16 TYR H H 1 7.29 . . 1 . . . . . . . . 4142 1 99 . 1 1 16 16 TYR HA H 1 4.55 . . 1 . . . . . . . . 4142 1 100 . 1 1 16 16 TYR HB2 H 1 3.50 . . 2 . . . . . . . . 4142 1 101 . 1 1 16 16 TYR HB3 H 1 3.03 . . 2 . . . . . . . . 4142 1 102 . 1 1 16 16 TYR HD1 H 1 6.97 . . 1 . . . . . . . . 4142 1 103 . 1 1 16 16 TYR HD2 H 1 6.97 . . 1 . . . . . . . . 4142 1 104 . 1 1 16 16 TYR HE1 H 1 6.64 . . 1 . . . . . . . . 4142 1 105 . 1 1 16 16 TYR HE2 H 1 6.64 . . 1 . . . . . . . . 4142 1 106 . 1 1 17 17 VAL H H 1 8.19 . . 1 . . . . . . . . 4142 1 107 . 1 1 17 17 VAL HA H 1 3.78 . . 1 . . . . . . . . 4142 1 108 . 1 1 17 17 VAL HB H 1 2.39 . . 1 . . . . . . . . 4142 1 109 . 1 1 17 17 VAL HG11 H 1 1.07 . . 2 . . . . . . . . 4142 1 110 . 1 1 17 17 VAL HG12 H 1 1.07 . . 2 . . . . . . . . 4142 1 111 . 1 1 17 17 VAL HG13 H 1 1.07 . . 2 . . . . . . . . 4142 1 112 . 1 1 17 17 VAL HG21 H 1 0.97 . . 2 . . . . . . . . 4142 1 113 . 1 1 17 17 VAL HG22 H 1 0.97 . . 2 . . . . . . . . 4142 1 114 . 1 1 17 17 VAL HG23 H 1 0.97 . . 2 . . . . . . . . 4142 1 115 . 1 1 18 18 GLN H H 1 7.63 . . 1 . . . . . . . . 4142 1 116 . 1 1 18 18 GLN HA H 1 4.79 . . 1 . . . . . . . . 4142 1 117 . 1 1 18 18 GLN HB2 H 1 2.09 . . 2 . . . . . . . . 4142 1 118 . 1 1 18 18 GLN HB3 H 1 2.23 . . 2 . . . . . . . . 4142 1 119 . 1 1 18 18 GLN HG2 H 1 2.44 . . 2 . . . . . . . . 4142 1 120 . 1 1 18 18 GLN HG3 H 1 2.34 . . 2 . . . . . . . . 4142 1 121 . 1 1 18 18 GLN HE21 H 1 6.75 . . 1 . . . . . . . . 4142 1 122 . 1 1 18 18 GLN HE22 H 1 6.75 . . 1 . . . . . . . . 4142 1 123 . 1 1 19 19 GLY H H 1 7.76 . . 1 . . . . . . . . 4142 1 124 . 1 1 19 19 GLY HA2 H 1 3.74 . . 2 . . . . . . . . 4142 1 125 . 1 1 19 19 GLY HA3 H 1 3.48 . . 2 . . . . . . . . 4142 1 126 . 1 1 20 20 GLY H H 1 8.28 . . 1 . . . . . . . . 4142 1 127 . 1 1 20 20 GLY HA2 H 1 4.47 . . 2 . . . . . . . . 4142 1 128 . 1 1 20 20 GLY HA3 H 1 3.73 . . 2 . . . . . . . . 4142 1 129 . 1 1 21 21 PRO HA H 1 3.91 . . 1 . . . . . . . . 4142 1 130 . 1 1 21 21 PRO HB2 H 1 1.90 . . 2 . . . . . . . . 4142 1 131 . 1 1 21 21 PRO HB3 H 1 2.35 . . 2 . . . . . . . . 4142 1 132 . 1 1 21 21 PRO HG2 H 1 2.04 . . 2 . . . . . . . . 4142 1 133 . 1 1 21 21 PRO HG3 H 1 1.55 . . 2 . . . . . . . . 4142 1 134 . 1 1 21 21 PRO HD2 H 1 3.56 . . 2 . . . . . . . . 4142 1 135 . 1 1 21 21 PRO HD3 H 1 3.64 . . 2 . . . . . . . . 4142 1 136 . 1 1 22 22 GLY H H 1 8.16 . . 1 . . . . . . . . 4142 1 137 . 1 1 22 22 GLY HA2 H 1 3.22 . . 2 . . . . . . . . 4142 1 138 . 1 1 22 22 GLY HA3 H 1 4.16 . . 2 . . . . . . . . 4142 1 139 . 1 1 23 23 PRO HA H 1 3.94 . . 1 . . . . . . . . 4142 1 140 . 1 1 23 23 PRO HB2 H 1 1.98 . . 2 . . . . . . . . 4142 1 141 . 1 1 23 23 PRO HB3 H 1 1.81 . . 2 . . . . . . . . 4142 1 142 . 1 1 23 23 PRO HG2 H 1 1.74 . . 2 . . . . . . . . 4142 1 143 . 1 1 23 23 PRO HG3 H 1 1.41 . . 2 . . . . . . . . 4142 1 144 . 1 1 23 23 PRO HD2 H 1 3.32 . . 2 . . . . . . . . 4142 1 145 . 1 1 23 23 PRO HD3 H 1 2.66 . . 2 . . . . . . . . 4142 1 146 . 1 1 24 24 SER H H 1 8.97 . . 1 . . . . . . . . 4142 1 147 . 1 1 24 24 SER HA H 1 4.18 . . 1 . . . . . . . . 4142 1 148 . 1 1 24 24 SER HB2 H 1 3.88 . . 2 . . . . . . . . 4142 1 149 . 1 1 24 24 SER HB3 H 1 3.97 . . 2 . . . . . . . . 4142 1 150 . 1 1 25 25 GLY H H 1 8.67 . . 1 . . . . . . . . 4142 1 151 . 1 1 25 25 GLY HA2 H 1 4.03 . . 2 . . . . . . . . 4142 1 152 . 1 1 25 25 GLY HA3 H 1 3.92 . . 2 . . . . . . . . 4142 1 153 . 1 1 26 26 GLU H H 1 8.87 . . 1 . . . . . . . . 4142 1 154 . 1 1 26 26 GLU HA H 1 4.15 . . 1 . . . . . . . . 4142 1 155 . 1 1 26 26 GLU HB2 H 1 1.99 . . 2 . . . . . . . . 4142 1 156 . 1 1 26 26 GLU HB3 H 1 2.09 . . 2 . . . . . . . . 4142 1 157 . 1 1 26 26 GLU HG2 H 1 2.48 . . 2 . . . . . . . . 4142 1 158 . 1 1 26 26 GLU HG3 H 1 2.39 . . 2 . . . . . . . . 4142 1 159 . 1 1 27 27 CYS H H 1 8.03 . . 1 . . . . . . . . 4142 1 160 . 1 1 27 27 CYS HA H 1 4.40 . . 1 . . . . . . . . 4142 1 161 . 1 1 27 27 CYS HB2 H 1 3.31 . . 2 . . . . . . . . 4142 1 162 . 1 1 27 27 CYS HB3 H 1 2.90 . . 2 . . . . . . . . 4142 1 163 . 1 1 28 28 CYS H H 1 8.18 . . 1 . . . . . . . . 4142 1 164 . 1 1 28 28 CYS HA H 1 4.67 . . 1 . . . . . . . . 4142 1 165 . 1 1 28 28 CYS HB2 H 1 2.82 . . 2 . . . . . . . . 4142 1 166 . 1 1 28 28 CYS HB3 H 1 3.04 . . 2 . . . . . . . . 4142 1 167 . 1 1 29 29 ASN H H 1 8.87 . . 1 . . . . . . . . 4142 1 168 . 1 1 29 29 ASN HA H 1 4.49 . . 1 . . . . . . . . 4142 1 169 . 1 1 29 29 ASN HB2 H 1 2.92 . . 2 . . . . . . . . 4142 1 170 . 1 1 29 29 ASN HB3 H 1 2.98 . . 2 . . . . . . . . 4142 1 171 . 1 1 29 29 ASN HD21 H 1 6.80 . . 2 . . . . . . . . 4142 1 172 . 1 1 29 29 ASN HD22 H 1 7.60 . . 2 . . . . . . . . 4142 1 173 . 1 1 30 30 GLY H H 1 7.99 . . 1 . . . . . . . . 4142 1 174 . 1 1 30 30 GLY HA2 H 1 4.20 . . 2 . . . . . . . . 4142 1 175 . 1 1 30 30 GLY HA3 H 1 3.89 . . 2 . . . . . . . . 4142 1 176 . 1 1 31 31 VAL H H 1 8.16 . . 1 . . . . . . . . 4142 1 177 . 1 1 31 31 VAL HA H 1 3.59 . . 1 . . . . . . . . 4142 1 178 . 1 1 31 31 VAL HB H 1 2.27 . . 1 . . . . . . . . 4142 1 179 . 1 1 31 31 VAL HG11 H 1 1.13 . . 2 . . . . . . . . 4142 1 180 . 1 1 31 31 VAL HG12 H 1 1.13 . . 2 . . . . . . . . 4142 1 181 . 1 1 31 31 VAL HG13 H 1 1.13 . . 2 . . . . . . . . 4142 1 182 . 1 1 31 31 VAL HG21 H 1 0.83 . . 2 . . . . . . . . 4142 1 183 . 1 1 31 31 VAL HG22 H 1 0.83 . . 2 . . . . . . . . 4142 1 184 . 1 1 31 31 VAL HG23 H 1 0.83 . . 2 . . . . . . . . 4142 1 185 . 1 1 32 32 ARG H H 1 8.41 . . 1 . . . . . . . . 4142 1 186 . 1 1 32 32 ARG HA H 1 3.87 . . 1 . . . . . . . . 4142 1 187 . 1 1 32 32 ARG HB2 H 1 1.96 . . 2 . . . . . . . . 4142 1 188 . 1 1 32 32 ARG HB3 H 1 1.77 . . 2 . . . . . . . . 4142 1 189 . 1 1 32 32 ARG HG2 H 1 1.61 . . 2 . . . . . . . . 4142 1 190 . 1 1 32 32 ARG HG3 H 1 1.40 . . 2 . . . . . . . . 4142 1 191 . 1 1 32 32 ARG HD2 H 1 3.21 . . 2 . . . . . . . . 4142 1 192 . 1 1 32 32 ARG HD3 H 1 3.33 . . 2 . . . . . . . . 4142 1 193 . 1 1 33 33 ASP H H 1 8.34 . . 1 . . . . . . . . 4142 1 194 . 1 1 33 33 ASP HA H 1 4.49 . . 1 . . . . . . . . 4142 1 195 . 1 1 33 33 ASP HB2 H 1 2.73 . . 2 . . . . . . . . 4142 1 196 . 1 1 33 33 ASP HB3 H 1 2.97 . . 2 . . . . . . . . 4142 1 197 . 1 1 34 34 LEU H H 1 8.25 . . 1 . . . . . . . . 4142 1 198 . 1 1 34 34 LEU HA H 1 4.02 . . 1 . . . . . . . . 4142 1 199 . 1 1 34 34 LEU HB2 H 1 1.83 . . 2 . . . . . . . . 4142 1 200 . 1 1 34 34 LEU HB3 H 1 1.89 . . 2 . . . . . . . . 4142 1 201 . 1 1 34 34 LEU HG H 1 1.58 . . 1 . . . . . . . . 4142 1 202 . 1 1 34 34 LEU HD11 H 1 0.98 . . 2 . . . . . . . . 4142 1 203 . 1 1 34 34 LEU HD12 H 1 0.98 . . 2 . . . . . . . . 4142 1 204 . 1 1 34 34 LEU HD13 H 1 0.98 . . 2 . . . . . . . . 4142 1 205 . 1 1 34 34 LEU HD21 H 1 0.92 . . 2 . . . . . . . . 4142 1 206 . 1 1 34 34 LEU HD22 H 1 0.92 . . 2 . . . . . . . . 4142 1 207 . 1 1 34 34 LEU HD23 H 1 0.92 . . 2 . . . . . . . . 4142 1 208 . 1 1 35 35 HIS H H 1 8.47 . . 1 . . . . . . . . 4142 1 209 . 1 1 35 35 HIS HA H 1 4.03 . . 1 . . . . . . . . 4142 1 210 . 1 1 35 35 HIS HB2 H 1 2.99 . . 2 . . . . . . . . 4142 1 211 . 1 1 35 35 HIS HB3 H 1 3.37 . . 2 . . . . . . . . 4142 1 212 . 1 1 35 35 HIS HD2 H 1 6.94 . . 1 . . . . . . . . 4142 1 213 . 1 1 36 36 ASN H H 1 8.30 . . 1 . . . . . . . . 4142 1 214 . 1 1 36 36 ASN HA H 1 4.39 . . 1 . . . . . . . . 4142 1 215 . 1 1 36 36 ASN HB2 H 1 3.03 . . 2 . . . . . . . . 4142 1 216 . 1 1 36 36 ASN HB3 H 1 2.88 . . 2 . . . . . . . . 4142 1 217 . 1 1 36 36 ASN HD21 H 1 6.91 . . 2 . . . . . . . . 4142 1 218 . 1 1 36 36 ASN HD22 H 1 7.78 . . 2 . . . . . . . . 4142 1 219 . 1 1 37 37 GLN H H 1 8.07 . . 1 . . . . . . . . 4142 1 220 . 1 1 37 37 GLN HA H 1 4.23 . . 1 . . . . . . . . 4142 1 221 . 1 1 37 37 GLN HB2 H 1 2.12 . . 2 . . . . . . . . 4142 1 222 . 1 1 37 37 GLN HB3 H 1 2.17 . . 2 . . . . . . . . 4142 1 223 . 1 1 37 37 GLN HG2 H 1 2.41 . . 2 . . . . . . . . 4142 1 224 . 1 1 37 37 GLN HG3 H 1 2.54 . . 2 . . . . . . . . 4142 1 225 . 1 1 37 37 GLN HE21 H 1 7.43 . . 2 . . . . . . . . 4142 1 226 . 1 1 37 37 GLN HE22 H 1 6.57 . . 2 . . . . . . . . 4142 1 227 . 1 1 38 38 ALA H H 1 7.81 . . 1 . . . . . . . . 4142 1 228 . 1 1 38 38 ALA HA H 1 4.53 . . 1 . . . . . . . . 4142 1 229 . 1 1 38 38 ALA HB1 H 1 1.22 . . 1 . . . . . . . . 4142 1 230 . 1 1 38 38 ALA HB2 H 1 1.22 . . 1 . . . . . . . . 4142 1 231 . 1 1 38 38 ALA HB3 H 1 1.22 . . 1 . . . . . . . . 4142 1 232 . 1 1 39 39 GLN H H 1 8.28 . . 1 . . . . . . . . 4142 1 233 . 1 1 39 39 GLN HA H 1 4.18 . . 1 . . . . . . . . 4142 1 234 . 1 1 39 39 GLN HB2 H 1 2.39 . . 2 . . . . . . . . 4142 1 235 . 1 1 39 39 GLN HB3 H 1 1.94 . . 2 . . . . . . . . 4142 1 236 . 1 1 39 39 GLN HG2 H 1 2.25 . . 1 . . . . . . . . 4142 1 237 . 1 1 39 39 GLN HG3 H 1 2.25 . . 1 . . . . . . . . 4142 1 238 . 1 1 40 40 SER H H 1 8.42 . . 1 . . . . . . . . 4142 1 239 . 1 1 40 40 SER HB2 H 1 4.16 . . 2 . . . . . . . . 4142 1 240 . 1 1 40 40 SER HB3 H 1 4.03 . . 2 . . . . . . . . 4142 1 241 . 1 1 41 41 SER H H 1 9.22 . . 1 . . . . . . . . 4142 1 242 . 1 1 41 41 SER HA H 1 4.44 . . 1 . . . . . . . . 4142 1 243 . 1 1 41 41 SER HB2 H 1 3.84 . . 1 . . . . . . . . 4142 1 244 . 1 1 41 41 SER HB3 H 1 3.84 . . 1 . . . . . . . . 4142 1 245 . 1 1 42 42 GLY H H 1 8.68 . . 1 . . . . . . . . 4142 1 246 . 1 1 42 42 GLY HA2 H 1 3.72 . . 1 . . . . . . . . 4142 1 247 . 1 1 42 42 GLY HA3 H 1 3.72 . . 1 . . . . . . . . 4142 1 248 . 1 1 43 43 ASP H H 1 7.92 . . 1 . . . . . . . . 4142 1 249 . 1 1 43 43 ASP HA H 1 4.67 . . 1 . . . . . . . . 4142 1 250 . 1 1 43 43 ASP HB2 H 1 2.48 . . 2 . . . . . . . . 4142 1 251 . 1 1 43 43 ASP HB3 H 1 2.75 . . 2 . . . . . . . . 4142 1 252 . 1 1 44 44 ARG H H 1 8.52 . . 1 . . . . . . . . 4142 1 253 . 1 1 44 44 ARG HA H 1 4.18 . . 1 . . . . . . . . 4142 1 254 . 1 1 44 44 ARG HB2 H 1 1.83 . . 2 . . . . . . . . 4142 1 255 . 1 1 44 44 ARG HB3 H 1 1.95 . . 2 . . . . . . . . 4142 1 256 . 1 1 44 44 ARG HG2 H 1 1.58 . . 2 . . . . . . . . 4142 1 257 . 1 1 44 44 ARG HG3 H 1 1.76 . . 2 . . . . . . . . 4142 1 258 . 1 1 44 44 ARG HD2 H 1 3.35 . . 1 . . . . . . . . 4142 1 259 . 1 1 44 44 ARG HD3 H 1 3.35 . . 1 . . . . . . . . 4142 1 260 . 1 1 45 45 GLN H H 1 8.53 . . 1 . . . . . . . . 4142 1 261 . 1 1 45 45 GLN HA H 1 3.81 . . 1 . . . . . . . . 4142 1 262 . 1 1 45 45 GLN HB2 H 1 2.17 . . 2 . . . . . . . . 4142 1 263 . 1 1 45 45 GLN HB3 H 1 2.03 . . 2 . . . . . . . . 4142 1 264 . 1 1 45 45 GLN HG2 H 1 2.65 . . 2 . . . . . . . . 4142 1 265 . 1 1 45 45 GLN HG3 H 1 2.64 . . 2 . . . . . . . . 4142 1 266 . 1 1 45 45 GLN HE21 H 1 7.53 . . 2 . . . . . . . . 4142 1 267 . 1 1 45 45 GLN HE22 H 1 6.48 . . 2 . . . . . . . . 4142 1 268 . 1 1 46 46 THR H H 1 8.20 . . 1 . . . . . . . . 4142 1 269 . 1 1 46 46 THR HA H 1 4.06 . . 1 . . . . . . . . 4142 1 270 . 1 1 46 46 THR HB H 1 4.43 . . 1 . . . . . . . . 4142 1 271 . 1 1 46 46 THR HG21 H 1 1.16 . . 1 . . . . . . . . 4142 1 272 . 1 1 46 46 THR HG22 H 1 1.16 . . 1 . . . . . . . . 4142 1 273 . 1 1 46 46 THR HG23 H 1 1.16 . . 1 . . . . . . . . 4142 1 274 . 1 1 47 47 VAL H H 1 8.28 . . 1 . . . . . . . . 4142 1 275 . 1 1 47 47 VAL HA H 1 3.26 . . 1 . . . . . . . . 4142 1 276 . 1 1 47 47 VAL HB H 1 2.22 . . 1 . . . . . . . . 4142 1 277 . 1 1 47 47 VAL HG11 H 1 1.00 . . 2 . . . . . . . . 4142 1 278 . 1 1 47 47 VAL HG12 H 1 1.00 . . 2 . . . . . . . . 4142 1 279 . 1 1 47 47 VAL HG13 H 1 1.00 . . 2 . . . . . . . . 4142 1 280 . 1 1 47 47 VAL HG21 H 1 0.93 . . 2 . . . . . . . . 4142 1 281 . 1 1 47 47 VAL HG22 H 1 0.93 . . 2 . . . . . . . . 4142 1 282 . 1 1 47 47 VAL HG23 H 1 0.93 . . 2 . . . . . . . . 4142 1 283 . 1 1 48 48 CYS H H 1 8.04 . . 1 . . . . . . . . 4142 1 284 . 1 1 48 48 CYS HA H 1 4.04 . . 1 . . . . . . . . 4142 1 285 . 1 1 48 48 CYS HB2 H 1 2.67 . . 2 . . . . . . . . 4142 1 286 . 1 1 48 48 CYS HB3 H 1 3.45 . . 2 . . . . . . . . 4142 1 287 . 1 1 49 49 ASN H H 1 8.46 . . 1 . . . . . . . . 4142 1 288 . 1 1 49 49 ASN HA H 1 4.54 . . 1 . . . . . . . . 4142 1 289 . 1 1 49 49 ASN HB2 H 1 2.76 . . 2 . . . . . . . . 4142 1 290 . 1 1 49 49 ASN HB3 H 1 2.89 . . 2 . . . . . . . . 4142 1 291 . 1 1 49 49 ASN HD21 H 1 7.29 . . 2 . . . . . . . . 4142 1 292 . 1 1 49 49 ASN HD22 H 1 7.24 . . 2 . . . . . . . . 4142 1 293 . 1 1 50 50 CYS H H 1 8.96 . . 1 . . . . . . . . 4142 1 294 . 1 1 50 50 CYS HA H 1 4.67 . . 1 . . . . . . . . 4142 1 295 . 1 1 50 50 CYS HB2 H 1 3.07 . . 2 . . . . . . . . 4142 1 296 . 1 1 50 50 CYS HB3 H 1 2.89 . . 2 . . . . . . . . 4142 1 297 . 1 1 51 51 LEU H H 1 8.75 . . 1 . . . . . . . . 4142 1 298 . 1 1 51 51 LEU HA H 1 4.03 . . 1 . . . . . . . . 4142 1 299 . 1 1 51 51 LEU HB2 H 1 2.21 . . 2 . . . . . . . . 4142 1 300 . 1 1 51 51 LEU HB3 H 1 1.93 . . 2 . . . . . . . . 4142 1 301 . 1 1 51 51 LEU HG H 1 1.25 . . 1 . . . . . . . . 4142 1 302 . 1 1 51 51 LEU HD11 H 1 0.89 . . 1 . . . . . . . . 4142 1 303 . 1 1 51 51 LEU HD12 H 1 0.89 . . 1 . . . . . . . . 4142 1 304 . 1 1 51 51 LEU HD13 H 1 0.89 . . 1 . . . . . . . . 4142 1 305 . 1 1 51 51 LEU HD21 H 1 0.89 . . 1 . . . . . . . . 4142 1 306 . 1 1 51 51 LEU HD22 H 1 0.89 . . 1 . . . . . . . . 4142 1 307 . 1 1 51 51 LEU HD23 H 1 0.89 . . 1 . . . . . . . . 4142 1 308 . 1 1 52 52 LYS H H 1 8.50 . . 1 . . . . . . . . 4142 1 309 . 1 1 52 52 LYS HA H 1 3.87 . . 1 . . . . . . . . 4142 1 310 . 1 1 52 52 LYS HB2 H 1 1.95 . . 2 . . . . . . . . 4142 1 311 . 1 1 52 52 LYS HB3 H 1 1.78 . . 2 . . . . . . . . 4142 1 312 . 1 1 52 52 LYS HG2 H 1 1.40 . . 1 . . . . . . . . 4142 1 313 . 1 1 52 52 LYS HG3 H 1 1.40 . . 1 . . . . . . . . 4142 1 314 . 1 1 52 52 LYS HE2 H 1 3.00 . . 1 . . . . . . . . 4142 1 315 . 1 1 52 52 LYS HE3 H 1 3.00 . . 1 . . . . . . . . 4142 1 316 . 1 1 53 53 GLY H H 1 7.70 . . 1 . . . . . . . . 4142 1 317 . 1 1 53 53 GLY HA2 H 1 4.02 . . 2 . . . . . . . . 4142 1 318 . 1 1 53 53 GLY HA3 H 1 3.85 . . 2 . . . . . . . . 4142 1 319 . 1 1 54 54 ILE H H 1 8.15 . . 1 . . . . . . . . 4142 1 320 . 1 1 54 54 ILE HA H 1 3.75 . . 1 . . . . . . . . 4142 1 321 . 1 1 54 54 ILE HB H 1 1.77 . . 1 . . . . . . . . 4142 1 322 . 1 1 54 54 ILE HG12 H 1 1.13 . . 2 . . . . . . . . 4142 1 323 . 1 1 54 54 ILE HG13 H 1 1.59 . . 2 . . . . . . . . 4142 1 324 . 1 1 54 54 ILE HG21 H 1 0.85 . . 1 . . . . . . . . 4142 1 325 . 1 1 54 54 ILE HG22 H 1 0.85 . . 1 . . . . . . . . 4142 1 326 . 1 1 54 54 ILE HG23 H 1 0.85 . . 1 . . . . . . . . 4142 1 327 . 1 1 54 54 ILE HD11 H 1 0.79 . . 1 . . . . . . . . 4142 1 328 . 1 1 54 54 ILE HD12 H 1 0.79 . . 1 . . . . . . . . 4142 1 329 . 1 1 54 54 ILE HD13 H 1 0.79 . . 1 . . . . . . . . 4142 1 330 . 1 1 55 55 ALA H H 1 8.35 . . 1 . . . . . . . . 4142 1 331 . 1 1 55 55 ALA HA H 1 3.88 . . 1 . . . . . . . . 4142 1 332 . 1 1 55 55 ALA HB1 H 1 1.41 . . 1 . . . . . . . . 4142 1 333 . 1 1 55 55 ALA HB2 H 1 1.41 . . 1 . . . . . . . . 4142 1 334 . 1 1 55 55 ALA HB3 H 1 1.41 . . 1 . . . . . . . . 4142 1 335 . 1 1 56 56 ARG H H 1 7.70 . . 1 . . . . . . . . 4142 1 336 . 1 1 56 56 ARG HA H 1 4.09 . . 1 . . . . . . . . 4142 1 337 . 1 1 56 56 ARG HB2 H 1 1.96 . . 2 . . . . . . . . 4142 1 338 . 1 1 56 56 ARG HB3 H 1 1.78 . . 2 . . . . . . . . 4142 1 339 . 1 1 56 56 ARG HG2 H 1 1.30 . . 2 . . . . . . . . 4142 1 340 . 1 1 56 56 ARG HG3 H 1 1.60 . . 2 . . . . . . . . 4142 1 341 . 1 1 56 56 ARG HD2 H 1 3.27 . . 2 . . . . . . . . 4142 1 342 . 1 1 56 56 ARG HD3 H 1 3.06 . . 2 . . . . . . . . 4142 1 343 . 1 1 57 57 GLY H H 1 7.55 . . 1 . . . . . . . . 4142 1 344 . 1 1 57 57 GLY HA2 H 1 4.31 . . 2 . . . . . . . . 4142 1 345 . 1 1 57 57 GLY HA3 H 1 3.77 . . 2 . . . . . . . . 4142 1 346 . 1 1 58 58 ILE H H 1 7.24 . . 1 . . . . . . . . 4142 1 347 . 1 1 58 58 ILE HA H 1 4.12 . . 1 . . . . . . . . 4142 1 348 . 1 1 58 58 ILE HB H 1 1.94 . . 1 . . . . . . . . 4142 1 349 . 1 1 58 58 ILE HG12 H 1 1.69 . . 2 . . . . . . . . 4142 1 350 . 1 1 58 58 ILE HG13 H 1 1.12 . . 2 . . . . . . . . 4142 1 351 . 1 1 58 58 ILE HG21 H 1 0.79 . . 1 . . . . . . . . 4142 1 352 . 1 1 58 58 ILE HG22 H 1 0.79 . . 1 . . . . . . . . 4142 1 353 . 1 1 58 58 ILE HG23 H 1 0.79 . . 1 . . . . . . . . 4142 1 354 . 1 1 58 58 ILE HD11 H 1 0.69 . . 1 . . . . . . . . 4142 1 355 . 1 1 58 58 ILE HD12 H 1 0.69 . . 1 . . . . . . . . 4142 1 356 . 1 1 58 58 ILE HD13 H 1 0.69 . . 1 . . . . . . . . 4142 1 357 . 1 1 59 59 HIS H H 1 8.76 . . 1 . . . . . . . . 4142 1 358 . 1 1 59 59 HIS HA H 1 4.58 . . 1 . . . . . . . . 4142 1 359 . 1 1 59 59 HIS HB2 H 1 3.26 . . 2 . . . . . . . . 4142 1 360 . 1 1 59 59 HIS HB3 H 1 3.07 . . 2 . . . . . . . . 4142 1 361 . 1 1 59 59 HIS HD2 H 1 6.29 . . 1 . . . . . . . . 4142 1 362 . 1 1 60 60 ASN H H 1 8.70 . . 1 . . . . . . . . 4142 1 363 . 1 1 60 60 ASN HA H 1 4.79 . . 1 . . . . . . . . 4142 1 364 . 1 1 60 60 ASN HB2 H 1 2.75 . . 2 . . . . . . . . 4142 1 365 . 1 1 60 60 ASN HB3 H 1 2.89 . . 2 . . . . . . . . 4142 1 366 . 1 1 60 60 ASN HD21 H 1 7.47 . . 2 . . . . . . . . 4142 1 367 . 1 1 60 60 ASN HD22 H 1 6.74 . . 2 . . . . . . . . 4142 1 368 . 1 1 61 61 LEU H H 1 7.39 . . 1 . . . . . . . . 4142 1 369 . 1 1 61 61 LEU HA H 1 3.84 . . 1 . . . . . . . . 4142 1 370 . 1 1 61 61 LEU HB2 H 1 1.53 . . 2 . . . . . . . . 4142 1 371 . 1 1 61 61 LEU HB3 H 1 1.69 . . 2 . . . . . . . . 4142 1 372 . 1 1 61 61 LEU HG H 1 1.35 . . 1 . . . . . . . . 4142 1 373 . 1 1 61 61 LEU HD11 H 1 0.79 . . 2 . . . . . . . . 4142 1 374 . 1 1 61 61 LEU HD12 H 1 0.79 . . 2 . . . . . . . . 4142 1 375 . 1 1 61 61 LEU HD13 H 1 0.79 . . 2 . . . . . . . . 4142 1 376 . 1 1 61 61 LEU HD21 H 1 0.70 . . 2 . . . . . . . . 4142 1 377 . 1 1 61 61 LEU HD22 H 1 0.70 . . 2 . . . . . . . . 4142 1 378 . 1 1 61 61 LEU HD23 H 1 0.70 . . 2 . . . . . . . . 4142 1 379 . 1 1 62 62 ASN H H 1 9.13 . . 1 . . . . . . . . 4142 1 380 . 1 1 62 62 ASN HA H 1 3.84 . . 1 . . . . . . . . 4142 1 381 . 1 1 62 62 ASN HB2 H 1 2.44 . . 2 . . . . . . . . 4142 1 382 . 1 1 62 62 ASN HB3 H 1 2.76 . . 2 . . . . . . . . 4142 1 383 . 1 1 62 62 ASN HD21 H 1 7.50 . . 2 . . . . . . . . 4142 1 384 . 1 1 62 62 ASN HD22 H 1 6.81 . . 2 . . . . . . . . 4142 1 385 . 1 1 63 63 LEU H H 1 8.47 . . 1 . . . . . . . . 4142 1 386 . 1 1 63 63 LEU HA H 1 3.88 . . 1 . . . . . . . . 4142 1 387 . 1 1 63 63 LEU HB2 H 1 1.79 . . 1 . . . . . . . . 4142 1 388 . 1 1 63 63 LEU HB3 H 1 1.79 . . 1 . . . . . . . . 4142 1 389 . 1 1 63 63 LEU HD11 H 1 1.08 . . 2 . . . . . . . . 4142 1 390 . 1 1 63 63 LEU HD12 H 1 1.08 . . 2 . . . . . . . . 4142 1 391 . 1 1 63 63 LEU HD13 H 1 1.08 . . 2 . . . . . . . . 4142 1 392 . 1 1 63 63 LEU HD21 H 1 0.96 . . 2 . . . . . . . . 4142 1 393 . 1 1 63 63 LEU HD22 H 1 0.96 . . 2 . . . . . . . . 4142 1 394 . 1 1 63 63 LEU HD23 H 1 0.96 . . 2 . . . . . . . . 4142 1 395 . 1 1 64 64 ASN H H 1 8.27 . . 1 . . . . . . . . 4142 1 396 . 1 1 64 64 ASN HA H 1 4.42 . . 1 . . . . . . . . 4142 1 397 . 1 1 64 64 ASN HB2 H 1 2.87 . . 2 . . . . . . . . 4142 1 398 . 1 1 64 64 ASN HB3 H 1 2.74 . . 2 . . . . . . . . 4142 1 399 . 1 1 64 64 ASN HD21 H 1 6.98 . . 2 . . . . . . . . 4142 1 400 . 1 1 64 64 ASN HD22 H 1 7.62 . . 2 . . . . . . . . 4142 1 401 . 1 1 65 65 ASN H H 1 8.25 . . 1 . . . . . . . . 4142 1 402 . 1 1 65 65 ASN HA H 1 4.18 . . 1 . . . . . . . . 4142 1 403 . 1 1 65 65 ASN HB2 H 1 2.39 . . 2 . . . . . . . . 4142 1 404 . 1 1 65 65 ASN HB3 H 1 1.14 . . 2 . . . . . . . . 4142 1 405 . 1 1 65 65 ASN HD21 H 1 6.99 . . 2 . . . . . . . . 4142 1 406 . 1 1 65 65 ASN HD22 H 1 6.84 . . 2 . . . . . . . . 4142 1 407 . 1 1 66 66 ALA H H 1 8.44 . . 1 . . . . . . . . 4142 1 408 . 1 1 66 66 ALA HA H 1 3.87 . . 1 . . . . . . . . 4142 1 409 . 1 1 66 66 ALA HB1 H 1 1.39 . . 1 . . . . . . . . 4142 1 410 . 1 1 66 66 ALA HB2 H 1 1.39 . . 1 . . . . . . . . 4142 1 411 . 1 1 66 66 ALA HB3 H 1 1.39 . . 1 . . . . . . . . 4142 1 412 . 1 1 67 67 ALA H H 1 8.46 . . 1 . . . . . . . . 4142 1 413 . 1 1 67 67 ALA HA H 1 4.16 . . 1 . . . . . . . . 4142 1 414 . 1 1 67 67 ALA HB1 H 1 1.61 . . 1 . . . . . . . . 4142 1 415 . 1 1 67 67 ALA HB2 H 1 1.61 . . 1 . . . . . . . . 4142 1 416 . 1 1 67 67 ALA HB3 H 1 1.61 . . 1 . . . . . . . . 4142 1 417 . 1 1 68 68 SER H H 1 7.73 . . 1 . . . . . . . . 4142 1 418 . 1 1 68 68 SER HA H 1 4.62 . . 1 . . . . . . . . 4142 1 419 . 1 1 68 68 SER HB2 H 1 4.35 . . 2 . . . . . . . . 4142 1 420 . 1 1 68 68 SER HB3 H 1 4.11 . . 2 . . . . . . . . 4142 1 421 . 1 1 68 68 SER HG H 1 7.44 . . 1 . . . . . . . . 4142 1 422 . 1 1 69 69 ILE H H 1 3.75 . . 1 . . . . . . . . 4142 1 423 . 1 1 69 69 ILE HA H 1 2.21 . . 1 . . . . . . . . 4142 1 424 . 1 1 69 69 ILE HB H 1 2.48 . . 1 . . . . . . . . 4142 1 425 . 1 1 69 69 ILE HG12 H 1 1.07 . . 1 . . . . . . . . 4142 1 426 . 1 1 69 69 ILE HG13 H 1 1.07 . . 1 . . . . . . . . 4142 1 427 . 1 1 69 69 ILE HG21 H 1 0.93 . . 1 . . . . . . . . 4142 1 428 . 1 1 69 69 ILE HG22 H 1 0.93 . . 1 . . . . . . . . 4142 1 429 . 1 1 69 69 ILE HG23 H 1 0.93 . . 1 . . . . . . . . 4142 1 430 . 1 1 69 69 ILE HD11 H 1 0.79 . . 1 . . . . . . . . 4142 1 431 . 1 1 69 69 ILE HD12 H 1 0.79 . . 1 . . . . . . . . 4142 1 432 . 1 1 69 69 ILE HD13 H 1 0.79 . . 1 . . . . . . . . 4142 1 433 . 1 1 70 70 PRO HA H 1 4.09 . . 1 . . . . . . . . 4142 1 434 . 1 1 70 70 PRO HB2 H 1 2.20 . . 2 . . . . . . . . 4142 1 435 . 1 1 70 70 PRO HB3 H 1 2.37 . . 2 . . . . . . . . 4142 1 436 . 1 1 70 70 PRO HG2 H 1 1.56 . . 2 . . . . . . . . 4142 1 437 . 1 1 70 70 PRO HG3 H 1 1.91 . . 2 . . . . . . . . 4142 1 438 . 1 1 70 70 PRO HD2 H 1 3.85 . . 2 . . . . . . . . 4142 1 439 . 1 1 70 70 PRO HD3 H 1 3.57 . . 2 . . . . . . . . 4142 1 440 . 1 1 71 71 SER H H 1 8.11 . . 1 . . . . . . . . 4142 1 441 . 1 1 71 71 SER HA H 1 4.29 . . 1 . . . . . . . . 4142 1 442 . 1 1 71 71 SER HB2 H 1 3.99 . . 1 . . . . . . . . 4142 1 443 . 1 1 71 71 SER HB3 H 1 3.99 . . 1 . . . . . . . . 4142 1 444 . 1 1 72 72 LYS H H 1 8.52 . . 1 . . . . . . . . 4142 1 445 . 1 1 72 72 LYS HA H 1 3.76 . . 1 . . . . . . . . 4142 1 446 . 1 1 72 72 LYS HB2 H 1 1.82 . . 2 . . . . . . . . 4142 1 447 . 1 1 72 72 LYS HB3 H 1 2.14 . . 2 . . . . . . . . 4142 1 448 . 1 1 72 72 LYS HG2 H 1 1.41 . . 1 . . . . . . . . 4142 1 449 . 1 1 72 72 LYS HG3 H 1 1.41 . . 1 . . . . . . . . 4142 1 450 . 1 1 72 72 LYS HD2 H 1 1.61 . . 2 . . . . . . . . 4142 1 451 . 1 1 72 72 LYS HD3 H 1 1.65 . . 2 . . . . . . . . 4142 1 452 . 1 1 72 72 LYS HE2 H 1 2.67 . . 2 . . . . . . . . 4142 1 453 . 1 1 72 72 LYS HE3 H 1 2.88 . . 2 . . . . . . . . 4142 1 454 . 1 1 73 73 CYS H H 1 8.27 . . 1 . . . . . . . . 4142 1 455 . 1 1 73 73 CYS HA H 1 4.90 . . 1 . . . . . . . . 4142 1 456 . 1 1 73 73 CYS HB2 H 1 2.61 . . 2 . . . . . . . . 4142 1 457 . 1 1 73 73 CYS HB3 H 1 3.12 . . 2 . . . . . . . . 4142 1 458 . 1 1 74 74 ASN H H 1 7.92 . . 1 . . . . . . . . 4142 1 459 . 1 1 74 74 ASN HA H 1 4.36 . . 1 . . . . . . . . 4142 1 460 . 1 1 74 74 ASN HB2 H 1 3.16 . . 2 . . . . . . . . 4142 1 461 . 1 1 74 74 ASN HB3 H 1 2.71 . . 2 . . . . . . . . 4142 1 462 . 1 1 74 74 ASN HD21 H 1 7.38 . . 2 . . . . . . . . 4142 1 463 . 1 1 74 74 ASN HD22 H 1 6.75 . . 2 . . . . . . . . 4142 1 464 . 1 1 75 75 VAL H H 1 8.48 . . 1 . . . . . . . . 4142 1 465 . 1 1 75 75 VAL HA H 1 4.12 . . 1 . . . . . . . . 4142 1 466 . 1 1 75 75 VAL HB H 1 1.33 . . 1 . . . . . . . . 4142 1 467 . 1 1 75 75 VAL HG11 H 1 1.07 . . 2 . . . . . . . . 4142 1 468 . 1 1 75 75 VAL HG12 H 1 1.07 . . 2 . . . . . . . . 4142 1 469 . 1 1 75 75 VAL HG13 H 1 1.07 . . 2 . . . . . . . . 4142 1 470 . 1 1 75 75 VAL HG21 H 1 0.93 . . 2 . . . . . . . . 4142 1 471 . 1 1 75 75 VAL HG22 H 1 0.93 . . 2 . . . . . . . . 4142 1 472 . 1 1 75 75 VAL HG23 H 1 0.93 . . 2 . . . . . . . . 4142 1 473 . 1 1 76 76 ASN H H 1 8.48 . . 1 . . . . . . . . 4142 1 474 . 1 1 76 76 ASN HA H 1 4.67 . . 1 . . . . . . . . 4142 1 475 . 1 1 76 76 ASN HB2 H 1 3.16 . . 1 . . . . . . . . 4142 1 476 . 1 1 76 76 ASN HB3 H 1 3.16 . . 1 . . . . . . . . 4142 1 477 . 1 1 76 76 ASN HD21 H 1 7.38 . . 2 . . . . . . . . 4142 1 478 . 1 1 76 76 ASN HD22 H 1 6.75 . . 2 . . . . . . . . 4142 1 479 . 1 1 77 77 VAL H H 1 8.19 . . 1 . . . . . . . . 4142 1 480 . 1 1 77 77 VAL HA H 1 4.00 . . 1 . . . . . . . . 4142 1 481 . 1 1 77 77 VAL HB H 1 2.40 . . 1 . . . . . . . . 4142 1 482 . 1 1 77 77 VAL HG11 H 1 1.07 . . 2 . . . . . . . . 4142 1 483 . 1 1 77 77 VAL HG12 H 1 1.07 . . 2 . . . . . . . . 4142 1 484 . 1 1 77 77 VAL HG13 H 1 1.07 . . 2 . . . . . . . . 4142 1 485 . 1 1 77 77 VAL HG21 H 1 0.93 . . 2 . . . . . . . . 4142 1 486 . 1 1 77 77 VAL HG22 H 1 0.93 . . 2 . . . . . . . . 4142 1 487 . 1 1 77 77 VAL HG23 H 1 0.93 . . 2 . . . . . . . . 4142 1 488 . 1 1 78 78 PRO HB2 H 1 1.82 . . 2 . . . . . . . . 4142 1 489 . 1 1 78 78 PRO HB3 H 1 1.89 . . 2 . . . . . . . . 4142 1 490 . 1 1 78 78 PRO HG2 H 1 2.57 . . 2 . . . . . . . . 4142 1 491 . 1 1 78 78 PRO HG3 H 1 2.67 . . 2 . . . . . . . . 4142 1 492 . 1 1 78 78 PRO HD2 H 1 3.54 . . 2 . . . . . . . . 4142 1 493 . 1 1 78 78 PRO HD3 H 1 3.41 . . 2 . . . . . . . . 4142 1 494 . 1 1 79 79 TYR H H 1 7.03 . . 1 . . . . . . . . 4142 1 495 . 1 1 79 79 TYR HA H 1 3.07 . . 1 . . . . . . . . 4142 1 496 . 1 1 79 79 TYR HB2 H 1 2.84 . . 2 . . . . . . . . 4142 1 497 . 1 1 79 79 TYR HB3 H 1 2.70 . . 2 . . . . . . . . 4142 1 498 . 1 1 79 79 TYR HD1 H 1 6.71 . . 1 . . . . . . . . 4142 1 499 . 1 1 79 79 TYR HD2 H 1 6.71 . . 1 . . . . . . . . 4142 1 500 . 1 1 79 79 TYR HE1 H 1 7.47 . . 1 . . . . . . . . 4142 1 501 . 1 1 79 79 TYR HE2 H 1 7.47 . . 1 . . . . . . . . 4142 1 502 . 1 1 80 80 THR H H 1 8.72 . . 1 . . . . . . . . 4142 1 503 . 1 1 80 80 THR HA H 1 4.14 . . 1 . . . . . . . . 4142 1 504 . 1 1 80 80 THR HB H 1 4.05 . . 1 . . . . . . . . 4142 1 505 . 1 1 80 80 THR HG21 H 1 1.20 . . 1 . . . . . . . . 4142 1 506 . 1 1 80 80 THR HG22 H 1 1.20 . . 1 . . . . . . . . 4142 1 507 . 1 1 80 80 THR HG23 H 1 1.20 . . 1 . . . . . . . . 4142 1 508 . 1 1 81 81 ILE H H 1 8.76 . . 1 . . . . . . . . 4142 1 509 . 1 1 81 81 ILE HA H 1 3.82 . . 1 . . . . . . . . 4142 1 510 . 1 1 81 81 ILE HB H 1 2.06 . . 1 . . . . . . . . 4142 1 511 . 1 1 81 81 ILE HG12 H 1 1.54 . . 1 . . . . . . . . 4142 1 512 . 1 1 81 81 ILE HG13 H 1 1.54 . . 1 . . . . . . . . 4142 1 513 . 1 1 81 81 ILE HG21 H 1 0.77 . . 1 . . . . . . . . 4142 1 514 . 1 1 81 81 ILE HG22 H 1 0.77 . . 1 . . . . . . . . 4142 1 515 . 1 1 81 81 ILE HG23 H 1 0.77 . . 1 . . . . . . . . 4142 1 516 . 1 1 81 81 ILE HD11 H 1 0.85 . . 1 . . . . . . . . 4142 1 517 . 1 1 81 81 ILE HD12 H 1 0.85 . . 1 . . . . . . . . 4142 1 518 . 1 1 81 81 ILE HD13 H 1 0.85 . . 1 . . . . . . . . 4142 1 519 . 1 1 82 82 SER H H 1 7.01 . . 1 . . . . . . . . 4142 1 520 . 1 1 82 82 SER HA H 1 4.87 . . 1 . . . . . . . . 4142 1 521 . 1 1 82 82 SER HB2 H 1 3.63 . . 2 . . . . . . . . 4142 1 522 . 1 1 82 82 SER HB3 H 1 4.10 . . 2 . . . . . . . . 4142 1 523 . 1 1 83 83 PRO HB2 H 1 2.02 . . 2 . . . . . . . . 4142 1 524 . 1 1 83 83 PRO HB3 H 1 2.33 . . 2 . . . . . . . . 4142 1 525 . 1 1 83 83 PRO HG2 H 1 2.12 . . 2 . . . . . . . . 4142 1 526 . 1 1 83 83 PRO HG3 H 1 1.75 . . 2 . . . . . . . . 4142 1 527 . 1 1 83 83 PRO HD2 H 1 3.93 . . 2 . . . . . . . . 4142 1 528 . 1 1 83 83 PRO HD3 H 1 3.59 . . 2 . . . . . . . . 4142 1 529 . 1 1 84 84 ASP H H 1 7.82 . . 1 . . . . . . . . 4142 1 530 . 1 1 84 84 ASP HA H 1 4.16 . . 1 . . . . . . . . 4142 1 531 . 1 1 84 84 ASP HB2 H 1 2.76 . . 2 . . . . . . . . 4142 1 532 . 1 1 84 84 ASP HB3 H 1 2.57 . . 2 . . . . . . . . 4142 1 533 . 1 1 85 85 ILE H H 1 7.23 . . 1 . . . . . . . . 4142 1 534 . 1 1 85 85 ILE HA H 1 3.90 . . 1 . . . . . . . . 4142 1 535 . 1 1 85 85 ILE HB H 1 1.94 . . 1 . . . . . . . . 4142 1 536 . 1 1 85 85 ILE HG12 H 1 1.55 . . 2 . . . . . . . . 4142 1 537 . 1 1 85 85 ILE HG13 H 1 0.93 . . 2 . . . . . . . . 4142 1 538 . 1 1 85 85 ILE HG21 H 1 0.78 . . 1 . . . . . . . . 4142 1 539 . 1 1 85 85 ILE HG22 H 1 0.78 . . 1 . . . . . . . . 4142 1 540 . 1 1 85 85 ILE HG23 H 1 0.78 . . 1 . . . . . . . . 4142 1 541 . 1 1 85 85 ILE HD11 H 1 1.20 . . 1 . . . . . . . . 4142 1 542 . 1 1 85 85 ILE HD12 H 1 1.20 . . 1 . . . . . . . . 4142 1 543 . 1 1 85 85 ILE HD13 H 1 1.20 . . 1 . . . . . . . . 4142 1 544 . 1 1 86 86 ASP H H 1 8.31 . . 1 . . . . . . . . 4142 1 545 . 1 1 86 86 ASP HA H 1 3.91 . . 1 . . . . . . . . 4142 1 546 . 1 1 86 86 ASP HB2 H 1 2.57 . . 2 . . . . . . . . 4142 1 547 . 1 1 86 86 ASP HB3 H 1 2.90 . . 2 . . . . . . . . 4142 1 548 . 1 1 87 87 CYS H H 1 8.63 . . 1 . . . . . . . . 4142 1 549 . 1 1 87 87 CYS HA H 1 4.67 . . 1 . . . . . . . . 4142 1 550 . 1 1 87 87 CYS HB2 H 1 2.95 . . 2 . . . . . . . . 4142 1 551 . 1 1 87 87 CYS HB3 H 1 3.25 . . 2 . . . . . . . . 4142 1 552 . 1 1 88 88 SER H H 1 8.44 . . 1 . . . . . . . . 4142 1 553 . 1 1 88 88 SER HA H 1 4.24 . . 1 . . . . . . . . 4142 1 554 . 1 1 88 88 SER HB2 H 1 3.92 . . 2 . . . . . . . . 4142 1 555 . 1 1 88 88 SER HB3 H 1 4.02 . . 2 . . . . . . . . 4142 1 556 . 1 1 89 89 ARG H H 1 7.29 . . 1 . . . . . . . . 4142 1 557 . 1 1 89 89 ARG HA H 1 4.42 . . 1 . . . . . . . . 4142 1 558 . 1 1 89 89 ARG HB2 H 1 1.64 . . 2 . . . . . . . . 4142 1 559 . 1 1 89 89 ARG HB3 H 1 2.14 . . 2 . . . . . . . . 4142 1 560 . 1 1 89 89 ARG HG2 H 1 1.54 . . 1 . . . . . . . . 4142 1 561 . 1 1 89 89 ARG HG3 H 1 1.54 . . 1 . . . . . . . . 4142 1 562 . 1 1 89 89 ARG HD2 H 1 3.22 . . 1 . . . . . . . . 4142 1 563 . 1 1 89 89 ARG HD3 H 1 3.22 . . 1 . . . . . . . . 4142 1 564 . 1 1 90 90 ILE H H 1 6.83 . . 1 . . . . . . . . 4142 1 565 . 1 1 90 90 ILE HA H 1 3.88 . . 1 . . . . . . . . 4142 1 566 . 1 1 90 90 ILE HB H 1 1.74 . . 1 . . . . . . . . 4142 1 567 . 1 1 90 90 ILE HG12 H 1 0.93 . . 2 . . . . . . . . 4142 1 568 . 1 1 90 90 ILE HG13 H 1 1.15 . . 2 . . . . . . . . 4142 1 569 . 1 1 90 90 ILE HG21 H 1 0.62 . . 1 . . . . . . . . 4142 1 570 . 1 1 90 90 ILE HG22 H 1 0.62 . . 1 . . . . . . . . 4142 1 571 . 1 1 90 90 ILE HG23 H 1 0.62 . . 1 . . . . . . . . 4142 1 572 . 1 1 90 90 ILE HD11 H 1 0.39 . . 1 . . . . . . . . 4142 1 573 . 1 1 90 90 ILE HD12 H 1 0.39 . . 1 . . . . . . . . 4142 1 574 . 1 1 90 90 ILE HD13 H 1 0.39 . . 1 . . . . . . . . 4142 1 575 . 1 1 91 91 TYR H H 1 7.41 . . 1 . . . . . . . . 4142 1 576 . 1 1 91 91 TYR HA H 1 4.49 . . 1 . . . . . . . . 4142 1 577 . 1 1 91 91 TYR HB2 H 1 3.12 . . 2 . . . . . . . . 4142 1 578 . 1 1 91 91 TYR HB3 H 1 2.90 . . 2 . . . . . . . . 4142 1 579 . 1 1 91 91 TYR HD1 H 1 7.15 . . 1 . . . . . . . . 4142 1 580 . 1 1 91 91 TYR HD2 H 1 7.15 . . 1 . . . . . . . . 4142 1 581 . 1 1 91 91 TYR HE1 H 1 6.85 . . 1 . . . . . . . . 4142 1 582 . 1 1 91 91 TYR HE2 H 1 6.85 . . 1 . . . . . . . . 4142 1 stop_ save_ save_assigned_chemical_shifts_two _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_two _Assigned_chem_shift_list.Entry_ID 4142 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _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 $sample_one . 4142 2 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 . 2 2 1 1 PLM C2 C 13 39.64 . . 1 . . . . . . . . 4142 2 2 . 2 2 1 1 PLM H21 H 1 2.22 . . 1 . . . . . . . . 4142 2 3 . 2 2 1 1 PLM H22 H 1 2.22 . . 1 . . . . . . . . 4142 2 4 . 2 2 1 1 PLM C3 C 13 28.54 . . 1 . . . . . . . . 4142 2 5 . 2 2 1 1 PLM H31 H 1 1.59 . . 1 . . . . . . . . 4142 2 6 . 2 2 1 1 PLM H32 H 1 1.59 . . 1 . . . . . . . . 4142 2 7 . 2 2 1 1 PLM C4 C 13 32.21 . . 1 . . . . . . . . 4142 2 8 . 2 2 1 1 PLM H41 H 1 1.28 . . 1 . . . . . . . . 4142 2 9 . 2 2 1 1 PLM H42 H 1 1.28 . . 1 . . . . . . . . 4142 2 10 . 2 2 1 1 PLM CD C 13 32.34 . . 1 . . . . . . . . 4142 2 11 . 2 2 1 1 PLM HD1 H 1 1.28 . . 1 . . . . . . . . 4142 2 12 . 2 2 1 1 PLM HD2 H 1 1.28 . . 1 . . . . . . . . 4142 2 13 . 2 2 1 1 PLM CE C 13 34.39 . . 1 . . . . . . . . 4142 2 14 . 2 2 1 1 PLM HE1 H 1 1.23 . . 1 . . . . . . . . 4142 2 15 . 2 2 1 1 PLM HE2 H 1 1.23 . . 1 . . . . . . . . 4142 2 16 . 2 2 1 1 PLM CF C 13 25.03 . . 1 . . . . . . . . 4142 2 17 . 2 2 1 1 PLM HF1 H 1 1.25 . . 1 . . . . . . . . 4142 2 18 . 2 2 1 1 PLM HF2 H 1 1.25 . . 1 . . . . . . . . 4142 2 19 . 2 2 1 1 PLM CG C 13 16.41 . . 1 . . . . . . . . 4142 2 20 . 2 2 1 1 PLM HG H 1 0.85 . . 1 . . . . . . . . 4142 2 stop_ save_