data_4146 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4146 _Entry.Title ; Solution Structure of the Transmembrane H+-Transporting Subunit c of the F1Fo ATP Synthase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1998-05-28 _Entry.Accession_date 1998-05-28 _Entry.Last_release_date . _Entry.Original_release_date . _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 Mark Girvin . E. . 4146 2 Vinit Rastogi . K. . 4146 3 Frits Abildgaard . . . 4146 4 John Markley . L. . 4146 5 Robert Fillingame . H. . 4146 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4146 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 339 4146 '15N chemical shifts' 76 4146 '1H chemical shifts' 531 4146 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2008-07-28 1998-05-28 update BMRB 'Updating non-standard residue' 4146 1 . . 1998-08-14 1998-05-28 original BMRB . 4146 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 4151 'pH 8.0 chemical shift assignments' 4146 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4146 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 98301362 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Girvin, M. E., Rastogi, V. K., Abildgaard, F., Markley, J. L., and Fillingame, R. H., "Solution Structure of the Transmembrane H+-Transporting Subunit c of the F1Fo ATP Synthase," Biochemistry 37, 8817-8824 (1998). ; _Citation.Title ; Solution Structure of the Transmembrane H+-Transporting Subunit c of the F1Fo ATP Synthase ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 37 _Citation.Journal_issue 25 _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 8817 _Citation.Page_last 8824 _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 Mark Girvin . E. . 4146 1 2 Vinit Rastogi . K. . 4146 1 3 Frits Abildgaard . . . 4146 1 4 John Markley . L. . 4146 1 5 Robert Fillingame . H. . 4146 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_F1Fo-ATP-c _Assembly.Sf_category assembly _Assembly.Sf_framecode system_F1Fo-ATP-c _Assembly.Entry_ID 4146 _Assembly.ID 1 _Assembly.Name 'F1Fo ATP Synthase Subunit c' _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 'not present' _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 4146 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 F1Fo-ATP-c 1 $F1Fo-ATP-c . . . native . . . . . 4146 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'F1Fo ATP Synthase' abbreviation 4146 1 'F1Fo ATP Synthase Subunit c' system 4146 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_F1Fo-ATP-c _Entity.Sf_category entity _Entity.Sf_framecode F1Fo-ATP-c _Entity.Entry_ID 4146 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'F1Fo ATP Synthase Subunit c' _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 ; XENLNMDLLYMAAAVMMGLA AIGAAIGIGILGGKFLEGAA RQPDLIPLLRTQFFIVMGLV DAIPMIAVGLGLYVMFAVA ; _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 79 _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 . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 10021 . "subunit c" . . . . . 98.73 79 100.00 100.00 3.19e-43 . . . . 4146 1 2 no BMRB 15564 . subunit_c_of_E._coli_F1F0_ATP_synthas . . . . . 98.73 79 98.72 100.00 1.14e-42 . . . . 4146 1 3 no BMRB 4151 . "F1FO ATP Synthase Subunit c" . . . . . 98.73 79 100.00 100.00 3.05e-43 . . . . 4146 1 4 no PDB 1A91 . "Subunit C Of The F1fo Atp Synthase Of Escherichia Coli; Nmr, 10 Structures" . . . . . 98.73 79 100.00 100.00 3.19e-43 . . . . 4146 1 5 no PDB 1ATY . "Determination Of Local Protein Structure By Spin Label Difference 2d Nmr: The Region Neighboring Asp61 Of Subunit C Of The F1fo" . . . . . 98.73 79 98.72 98.72 7.69e-43 . . . . 4146 1 6 no PDB 1C0V . "Subunit C Of The F1fo Atp Synthase Of Escherichia Coli; Nmr, 10 Structures" . . . . . 98.73 79 100.00 100.00 3.19e-43 . . . . 4146 1 7 no PDB 1C17 . "A1c12 Subcomplex Of F1fo Atp Synthase" . . . . . 98.73 79 100.00 100.00 3.19e-43 . . . . 4146 1 8 no PDB 1C99 . "Asp61 Deprotonated Form Of Subunit C Of The F1fo Atp Synthase Of Escherichia Coli" . . . . . 98.73 79 100.00 100.00 3.19e-43 . . . . 4146 1 9 no PDB 1IJP . "Solution Structure Of Ala20proPRO64ALA SUBSTITUTED SUBUNIT C Of Escherichia Coli Atp Synthase" . . . . . 98.73 79 97.44 97.44 4.03e-41 . . . . 4146 1 10 no PDB 1L6T . "Structure Of Ala24ASP61 TO ASP24ASN61 SUBSTITUTED SUBUNIT C Of Escherichia Coli Atp Synthase" . . . . . 98.73 79 97.44 98.72 1.19e-41 . . . . 4146 1 11 no PDB 1QO1 . "Molecular Architecture Of The Rotary Motor In Atp Synthase From Yeast Mitochondria" . . . . . 98.73 79 100.00 100.00 3.19e-43 . . . . 4146 1 12 no PDB 4UTQ . "A Structural Model Of The Active Ribosome-bound Membrane Protein Insertase Yidc" . . . . . 98.73 79 100.00 100.00 3.19e-43 . . . . 4146 1 13 no DBJ BAB38102 . "membrane-bound ATP synthase subunit c AtpE [Escherichia coli O157:H7 str. Sakai]" . . . . . 98.73 79 100.00 100.00 3.19e-43 . . . . 4146 1 14 no DBJ BAE75684 . "ATP synthase subunit C [Sodalis glossinidius str. 'morsitans']" . . . . . 98.73 79 100.00 100.00 3.19e-43 . . . . 4146 1 15 no DBJ BAE77551 . "F0 sector of membrane-bound ATP synthase, subunit c [Escherichia coli str. K12 substr. W3110]" . . . . . 98.73 79 100.00 100.00 3.19e-43 . . . . 4146 1 16 no DBJ BAG79551 . "ATP synthase subunit C [Escherichia coli SE11]" . . . . . 98.73 79 100.00 100.00 3.19e-43 . . . . 4146 1 17 no DBJ BAH65925 . "ATP synthase subunit C [Klebsiella pneumoniae subsp. pneumoniae NTUH-K2044]" . . . . . 98.73 79 100.00 100.00 3.19e-43 . . . . 4146 1 18 no EMBL CAA23515 . "unnamed protein product [Escherichia coli]" . . . . . 98.73 79 100.00 100.00 3.19e-43 . . . . 4146 1 19 no EMBL CAA23522 . "atpE [Escherichia coli]" . . . . . 98.73 79 100.00 100.00 3.19e-43 . . . . 4146 1 20 no EMBL CAA23591 . "unnamed protein product [Escherichia coli]" . . . . . 98.73 79 98.72 98.72 3.00e-42 . . . . 4146 1 21 no EMBL CAA24752 . "unnamed protein product [Escherichia coli]" . . . . . 98.73 79 100.00 100.00 3.19e-43 . . . . 4146 1 22 no EMBL CAA25777 . "unnamed protein product [Escherichia coli]" . . . . . 98.73 79 100.00 100.00 3.19e-43 . . . . 4146 1 23 no GB AAA23668 . "dicyclohexylcarbodiimide-binding protein [Escherichia coli]" . . . . . 98.73 79 100.00 100.00 3.19e-43 . . . . 4146 1 24 no GB AAA24732 . "ATP synthase c subunit [Escherichia coli]" . . . . . 98.73 79 100.00 100.00 3.19e-43 . . . . 4146 1 25 no GB AAA62089 . "ATP synthase F0 subunit c; DCCD-binding protein [Escherichia coli]" . . . . . 98.73 79 100.00 100.00 3.19e-43 . . . . 4146 1 26 no GB AAA83870 . "integral membrane proton channel F0 subunit C [Escherichia coli]" . . . . . 98.73 79 100.00 100.00 3.19e-43 . . . . 4146 1 27 no GB AAC76760 . "F0 sector of membrane-bound ATP synthase, subunit c [Escherichia coli str. K-12 substr. MG1655]" . . . . . 98.73 79 100.00 100.00 3.19e-43 . . . . 4146 1 28 no PIR AI0953 . "ATP synthase chain C [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" . . . . . 98.73 79 100.00 100.00 3.19e-43 . . . . 4146 1 29 no REF NP_312706 . "ATP synthase F0F1 subunit C [Escherichia coli O157:H7 str. Sakai]" . . . . . 98.73 79 100.00 100.00 3.19e-43 . . . . 4146 1 30 no REF NP_418193 . "F0 sector of membrane-bound ATP synthase, subunit c [Escherichia coli str. K-12 substr. MG1655]" . . . . . 98.73 79 100.00 100.00 3.19e-43 . . . . 4146 1 31 no REF NP_458073 . "ATP synthase subunit C [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 98.73 79 100.00 100.00 3.19e-43 . . . . 4146 1 32 no REF NP_462769 . "F0F1 ATP synthase subunit C [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 98.73 79 100.00 100.00 3.19e-43 . . . . 4146 1 33 no REF NP_709550 . "ATP synthase F0F1 subunit C [Shigella flexneri 2a str. 301]" . . . . . 98.73 79 100.00 100.00 3.19e-43 . . . . 4146 1 34 no SP A1JTD2 . "RecName: Full=ATP synthase subunit c; AltName: Full=ATP synthase F(0) sector subunit c; AltName: Full=F-type ATPase subunit c; " . . . . . 98.73 79 98.72 100.00 5.03e-43 . . . . 4146 1 35 no SP A4TSI8 . "RecName: Full=ATP synthase subunit c; AltName: Full=ATP synthase F(0) sector subunit c; AltName: Full=F-type ATPase subunit c; " . . . . . 98.73 79 100.00 100.00 3.19e-43 . . . . 4146 1 36 no SP A4WGF0 . "RecName: Full=ATP synthase subunit c; AltName: Full=ATP synthase F(0) sector subunit c; AltName: Full=F-type ATPase subunit c; " . . . . . 98.73 79 100.00 100.00 3.19e-43 . . . . 4146 1 37 no SP A6TG41 . "RecName: Full=ATP synthase subunit c; AltName: Full=ATP synthase F(0) sector subunit c; AltName: Full=F-type ATPase subunit c; " . . . . . 98.73 79 100.00 100.00 3.19e-43 . . . . 4146 1 38 no SP A7FPE5 . "RecName: Full=ATP synthase subunit c; AltName: Full=ATP synthase F(0) sector subunit c; AltName: Full=F-type ATPase subunit c; " . . . . . 98.73 79 100.00 100.00 3.19e-43 . . . . 4146 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'F1Fo ATP Synthase' abbreviation 4146 1 'F1Fo ATP Synthase Subunit c' common 4146 1 'proteolipid, DCCD-binding protein' variant 4146 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 . FME . 4146 1 2 . GLU . 4146 1 3 . ASN . 4146 1 4 . LEU . 4146 1 5 . ASN . 4146 1 6 . MET . 4146 1 7 . ASP . 4146 1 8 . LEU . 4146 1 9 . LEU . 4146 1 10 . TYR . 4146 1 11 . MET . 4146 1 12 . ALA . 4146 1 13 . ALA . 4146 1 14 . ALA . 4146 1 15 . VAL . 4146 1 16 . MET . 4146 1 17 . MET . 4146 1 18 . GLY . 4146 1 19 . LEU . 4146 1 20 . ALA . 4146 1 21 . ALA . 4146 1 22 . ILE . 4146 1 23 . GLY . 4146 1 24 . ALA . 4146 1 25 . ALA . 4146 1 26 . ILE . 4146 1 27 . GLY . 4146 1 28 . ILE . 4146 1 29 . GLY . 4146 1 30 . ILE . 4146 1 31 . LEU . 4146 1 32 . GLY . 4146 1 33 . GLY . 4146 1 34 . LYS . 4146 1 35 . PHE . 4146 1 36 . LEU . 4146 1 37 . GLU . 4146 1 38 . GLY . 4146 1 39 . ALA . 4146 1 40 . ALA . 4146 1 41 . ARG . 4146 1 42 . GLN . 4146 1 43 . PRO . 4146 1 44 . ASP . 4146 1 45 . LEU . 4146 1 46 . ILE . 4146 1 47 . PRO . 4146 1 48 . LEU . 4146 1 49 . LEU . 4146 1 50 . ARG . 4146 1 51 . THR . 4146 1 52 . GLN . 4146 1 53 . PHE . 4146 1 54 . PHE . 4146 1 55 . ILE . 4146 1 56 . VAL . 4146 1 57 . MET . 4146 1 58 . GLY . 4146 1 59 . LEU . 4146 1 60 . VAL . 4146 1 61 . ASP . 4146 1 62 . ALA . 4146 1 63 . ILE . 4146 1 64 . PRO . 4146 1 65 . MET . 4146 1 66 . ILE . 4146 1 67 . ALA . 4146 1 68 . VAL . 4146 1 69 . GLY . 4146 1 70 . LEU . 4146 1 71 . GLY . 4146 1 72 . LEU . 4146 1 73 . TYR . 4146 1 74 . VAL . 4146 1 75 . MET . 4146 1 76 . PHE . 4146 1 77 . ALA . 4146 1 78 . VAL . 4146 1 79 . ALA . 4146 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 . FME 1 1 4146 1 . GLU 2 2 4146 1 . ASN 3 3 4146 1 . LEU 4 4 4146 1 . ASN 5 5 4146 1 . MET 6 6 4146 1 . ASP 7 7 4146 1 . LEU 8 8 4146 1 . LEU 9 9 4146 1 . TYR 10 10 4146 1 . MET 11 11 4146 1 . ALA 12 12 4146 1 . ALA 13 13 4146 1 . ALA 14 14 4146 1 . VAL 15 15 4146 1 . MET 16 16 4146 1 . MET 17 17 4146 1 . GLY 18 18 4146 1 . LEU 19 19 4146 1 . ALA 20 20 4146 1 . ALA 21 21 4146 1 . ILE 22 22 4146 1 . GLY 23 23 4146 1 . ALA 24 24 4146 1 . ALA 25 25 4146 1 . ILE 26 26 4146 1 . GLY 27 27 4146 1 . ILE 28 28 4146 1 . GLY 29 29 4146 1 . ILE 30 30 4146 1 . LEU 31 31 4146 1 . GLY 32 32 4146 1 . GLY 33 33 4146 1 . LYS 34 34 4146 1 . PHE 35 35 4146 1 . LEU 36 36 4146 1 . GLU 37 37 4146 1 . GLY 38 38 4146 1 . ALA 39 39 4146 1 . ALA 40 40 4146 1 . ARG 41 41 4146 1 . GLN 42 42 4146 1 . PRO 43 43 4146 1 . ASP 44 44 4146 1 . LEU 45 45 4146 1 . ILE 46 46 4146 1 . PRO 47 47 4146 1 . LEU 48 48 4146 1 . LEU 49 49 4146 1 . ARG 50 50 4146 1 . THR 51 51 4146 1 . GLN 52 52 4146 1 . PHE 53 53 4146 1 . PHE 54 54 4146 1 . ILE 55 55 4146 1 . VAL 56 56 4146 1 . MET 57 57 4146 1 . GLY 58 58 4146 1 . LEU 59 59 4146 1 . VAL 60 60 4146 1 . ASP 61 61 4146 1 . ALA 62 62 4146 1 . ILE 63 63 4146 1 . PRO 64 64 4146 1 . MET 65 65 4146 1 . ILE 66 66 4146 1 . ALA 67 67 4146 1 . VAL 68 68 4146 1 . GLY 69 69 4146 1 . LEU 70 70 4146 1 . GLY 71 71 4146 1 . LEU 72 72 4146 1 . TYR 73 73 4146 1 . VAL 74 74 4146 1 . MET 75 75 4146 1 . PHE 76 76 4146 1 . ALA 77 77 4146 1 . VAL 78 78 4146 1 . ALA 79 79 4146 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 4146 _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 $F1Fo-ATP-c . . organism . 'Escherichia coli' 'Escherichia coli' . . Eubacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 4146 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 4146 _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 $F1Fo-ATP-c . recombinant_technology 'Escherichia coli' 'Escherichia coli' . . Escherichia coli MEG119 . . . . . . . . . . . . plasmid . . pCP35 . . . . . . 4146 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_FME _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_FME _Chem_comp.Entry_ID 4146 _Chem_comp.ID FME _Chem_comp.Provenance . _Chem_comp.Name N-FORMYLMETHIONINE _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code . _Chem_comp.PDB_code FME _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 M _Chem_comp.Three_letter_code FME _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 MET _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 'C6 H11 N O3 S' _Chem_comp.Formula_weight 177.221 _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 1BQ9 _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 Wed Jul 13 14:41:51 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 CSCCC(C(=O)O)NC=O SMILES 'OpenEye OEToolkits' 1.5.0 4146 FME CSCC[C@@H](C(=O)O)NC=O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 4146 FME CSCC[C@H](NC=O)C(O)=O SMILES_CANONICAL CACTVS 3.341 4146 FME CSCC[CH](NC=O)C(O)=O SMILES CACTVS 3.341 4146 FME InChI=1S/C6H11NO3S/c1-11-3-2-5(6(9)10)7-4-8/h4-5H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m0/s1 InChI InChI 1.03 4146 FME O=CNC(C(=O)O)CCSC SMILES ACDLabs 10.04 4146 FME PYUSHNKNPOHWEZ-YFKPBYRVSA-N InChIKey InChI 1.03 4146 FME 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 '(2S)-2-formamido-4-methylsulfanyl-butanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 4146 FME N-formyl-L-methionine 'SYSTEMATIC NAME' ACDLabs 10.04 4146 FME 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 N . N . . N . . N 0 . . . . no no . . . . 23.447 . -5.765 . 5.119 . 0.999 0.704 -1.069 1 . 4146 FME CN . CN . . C . . N 0 . . . . no no . . . . 23.308 . -6.776 . 4.291 . 2.093 0.373 -1.783 2 . 4146 FME O1 . O1 . . O . . N 0 . . . . no no . . . . 22.504 . -6.713 . 3.357 . 2.179 -0.727 -2.285 3 . 4146 FME CA . CA . . C . . S 0 . . . . no no . . . . 22.488 . -4.745 . 5.410 . -0.086 -0.264 -0.900 4 . 4146 FME CB . CB . . C . . N 0 . . . . no no . . . . 22.433 . -4.342 . 6.827 . -0.785 -0.018 0.437 5 . 4146 FME CG . CG . . C . . N 0 . . . . no no . . . . 22.198 . -5.618 . 7.751 . 0.222 -0.179 1.576 6 . 4146 FME SD . SD . . S . . N 0 . . . . no no . . . . 20.445 . -6.032 . 7.772 . -0.606 0.111 3.164 7 . 4146 FME CE . CE . . C . . N 0 . . . . no no . . . . 20.476 . -7.587 . 8.656 . 0.787 -0.138 4.297 8 . 4146 FME C . C . . C . . N 0 . . . . no no . . . . 22.699 . -3.530 . 4.487 . -1.080 -0.105 -2.023 9 . 4146 FME O . O . . O . . N 0 . . . . no no . . . . 23.804 . -3.248 . 4.077 . -1.712 -1.059 -2.408 10 . 4146 FME OXT . OXT . . O . . N 0 . . . . no yes . . . . 21.633 . -2.939 . 4.043 . -1.261 1.095 -2.593 11 . 4146 FME H . H . . H . . N 0 . . . . no no . . . . 24.363 . -5.772 . 5.567 . 0.930 1.584 -0.667 12 . 4146 FME HCN . HCN . . H . . N 0 . . . . no no . . . . 23.886 . -7.710 . 4.383 . 2.893 1.087 -1.907 13 . 4146 FME HA . HA . . H . . N 0 . . . . no no . . . . 21.489 . -5.197 . 5.204 . 0.322 -1.274 -0.917 14 . 4146 FME HB2 . HB2 . . H . . N 0 . . . . no no . . . . 23.338 . -3.766 . 7.132 . -1.593 -0.739 0.563 15 . 4146 FME HB3 . HB3 . . H . . N 0 . . . . no no . . . . 21.668 . -3.550 . 7.006 . -1.194 0.991 0.454 16 . 4146 FME HG2 . HG2 . . H . . N 0 . . . . no no . . . . 22.831 . -6.482 . 7.443 . 1.030 0.541 1.451 17 . 4146 FME HG3 . HG3 . . H . . N 0 . . . . no no . . . . 22.609 . -5.475 . 8.777 . 0.631 -1.190 1.560 18 . 4146 FME HE1 . HE1 . . H . . N 0 . . . . no no . . . . 19.390 . -7.843 . 8.669 . 0.450 0.003 5.324 19 . 4146 FME HE2 . HE2 . . H . . N 0 . . . . no no . . . . 21.148 . -8.367 . 8.230 . 1.174 -1.150 4.179 20 . 4146 FME HE3 . HE3 . . H . . N 0 . . . . no no . . . . 20.975 . -7.562 . 9.652 . 1.574 0.580 4.070 21 . 4146 FME HXT . HXT . . H . . N 0 . . . . no yes . . . . 21.763 . -2.189 . 3.473 . -1.899 1.197 -3.313 22 . 4146 FME 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 N CN no N 1 . 4146 FME 2 . SING N CA no N 2 . 4146 FME 3 . SING N H no N 3 . 4146 FME 4 . DOUB CN O1 no N 4 . 4146 FME 5 . SING CN HCN no N 5 . 4146 FME 6 . SING CA CB no N 6 . 4146 FME 7 . SING CA C no N 7 . 4146 FME 8 . SING CA HA no N 8 . 4146 FME 9 . SING CB CG no N 9 . 4146 FME 10 . SING CB HB2 no N 10 . 4146 FME 11 . SING CB HB3 no N 11 . 4146 FME 12 . SING CG SD no N 12 . 4146 FME 13 . SING CG HG2 no N 13 . 4146 FME 14 . SING CG HG3 no N 14 . 4146 FME 15 . SING SD CE no N 15 . 4146 FME 16 . SING CE HE1 no N 16 . 4146 FME 17 . SING CE HE2 no N 17 . 4146 FME 18 . SING CE HE3 no N 18 . 4146 FME 19 . DOUB C O no N 19 . 4146 FME 20 . SING C OXT no N 20 . 4146 FME 21 . SING OXT HXT no N 21 . 4146 FME stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4146 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; The membrane protein was dissolved in a solution containing 11.1% H2O, 44.45% CDCl3, and 44.45% CD3OH (1:4:4) ; _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 'F1Fo ATP Synthase Subunit c' '[U95%-13C; U95%-15N]' . . 1 $F1Fo-ATP-c . . . 2.5 3.0 mM . . . . 4146 1 2 H2O . . . . . . . 11.1 . . % . . . . 4146 1 3 CDCl3 . . . . . . . 44.45 . . % . . . . 4146 1 4 CD3OH . . . . . . . 44.45 . . % . . . . 4146 1 5 NaCl . . . . . . . 50 . . mM . . . . 4146 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 4146 _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 5.0 0.05 n/a 4146 1 temperature 300 . K 4146 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_one _NMR_spectrometer.Entry_ID 4146 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_two _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_two _NMR_spectrometer.Entry_ID 4146 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4146 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_one Bruker DMX . 500 . . . 4146 1 2 NMR_spectrometer_two Bruker DRX . 600 . . . 4146 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 4146 _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 $NMR_applied_experiment_one . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . . . . . . . . . . . . . . . . . . . 4146 1 stop_ save_ save_NMR_applied_experiment_one _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_applied_experiment_one _NMR_spec_expt.Entry_ID 4146 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details ; 1H15N HSQC 1H13C CT-HSQC HNCO HCACO HNCACB CBCA(CO)NH C(CO)NH TOCSY-HSQC H(CCO)NH HCCH-COSY HCCH-TOCSY TOCSY-CT-HMQC 1H15N NOESY-HSQC 1H13C NOESY-HSQC 1H13C NOESY-CT-HSQC HNCA-J ; 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 4146 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 4146 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct . . . . 1 $entry_citation . . 1 $entry_citation 4146 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 4146 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 4146 _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 . 4146 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 FME H H 1 8.59 0.02 . 1 . . . . . . . . 4146 1 2 . 1 1 1 1 FME HA H 1 4.48 0.02 . 1 . . . . . . . . 4146 1 3 . 1 1 1 1 FME HB2 H 1 2.06 0.02 . 2 . . . . . . . . 4146 1 4 . 1 1 1 1 FME HB3 H 1 2.14 0.02 . 2 . . . . . . . . 4146 1 5 . 1 1 1 1 FME HG2 H 1 2.58 0.02 . 2 . . . . . . . . 4146 1 6 . 1 1 1 1 FME HG3 H 1 2.64 0.02 . 2 . . . . . . . . 4146 1 7 . 1 1 1 1 FME C C 13 176.36 0.05 . 1 . . . . . . . . 4146 1 8 . 1 1 1 1 FME CA C 13 55.32 0.05 . 1 . . . . . . . . 4146 1 9 . 1 1 1 1 FME CB C 13 33.28 0.05 . 1 . . . . . . . . 4146 1 10 . 1 1 1 1 FME CG C 13 32.57 0.05 . 1 . . . . . . . . 4146 1 11 . 1 1 1 1 FME N N 15 127.44 0.05 . 1 . . . . . . . . 4146 1 12 . 1 1 2 2 GLU H H 1 8.62 0.02 . 1 . . . . . . . . 4146 1 13 . 1 1 2 2 GLU HA H 1 4.28 0.02 . 1 . . . . . . . . 4146 1 14 . 1 1 2 2 GLU HB2 H 1 2.07 0.02 . 2 . . . . . . . . 4146 1 15 . 1 1 2 2 GLU HB3 H 1 2.09 0.02 . 2 . . . . . . . . 4146 1 16 . 1 1 2 2 GLU HG2 H 1 2.35 0.02 . 2 . . . . . . . . 4146 1 17 . 1 1 2 2 GLU HG3 H 1 2.46 0.02 . 2 . . . . . . . . 4146 1 18 . 1 1 2 2 GLU C C 13 176.07 0.05 . 1 . . . . . . . . 4146 1 19 . 1 1 2 2 GLU CA C 13 57.63 0.05 . 1 . . . . . . . . 4146 1 20 . 1 1 2 2 GLU CB C 13 28.34 0.05 . 1 . . . . . . . . 4146 1 21 . 1 1 2 2 GLU CG C 13 33.05 0.05 . 1 . . . . . . . . 4146 1 22 . 1 1 2 2 GLU N N 15 119.01 0.05 . 1 . . . . . . . . 4146 1 23 . 1 1 3 3 ASN H H 1 8.09 0.02 . 1 . . . . . . . . 4146 1 24 . 1 1 3 3 ASN HA H 1 4.57 0.02 . 1 . . . . . . . . 4146 1 25 . 1 1 3 3 ASN HB2 H 1 2.76 0.02 . 2 . . . . . . . . 4146 1 26 . 1 1 3 3 ASN HB3 H 1 2.86 0.02 . 2 . . . . . . . . 4146 1 27 . 1 1 3 3 ASN HD21 H 1 6.85 0.02 . 2 . . . . . . . . 4146 1 28 . 1 1 3 3 ASN HD22 H 1 7.67 0.02 . 2 . . . . . . . . 4146 1 29 . 1 1 3 3 ASN C C 13 175.74 0.05 . 1 . . . . . . . . 4146 1 30 . 1 1 3 3 ASN CA C 13 54.55 0.05 . 1 . . . . . . . . 4146 1 31 . 1 1 3 3 ASN CB C 13 38.70 0.05 . 1 . . . . . . . . 4146 1 32 . 1 1 3 3 ASN N N 15 117.69 0.05 . 1 . . . . . . . . 4146 1 33 . 1 1 4 4 LEU H H 1 8.11 0.02 . 1 . . . . . . . . 4146 1 34 . 1 1 4 4 LEU HA H 1 4.18 0.02 . 1 . . . . . . . . 4146 1 35 . 1 1 4 4 LEU HB2 H 1 1.72 0.02 . 2 . . . . . . . . 4146 1 36 . 1 1 4 4 LEU HB3 H 1 1.72 0.02 . 2 . . . . . . . . 4146 1 37 . 1 1 4 4 LEU HG H 1 1.73 0.02 . 1 . . . . . . . . 4146 1 38 . 1 1 4 4 LEU HD11 H 1 0.96 0.02 . 2 . . . . . . . . 4146 1 39 . 1 1 4 4 LEU HD12 H 1 0.96 0.02 . 2 . . . . . . . . 4146 1 40 . 1 1 4 4 LEU HD13 H 1 0.96 0.02 . 2 . . . . . . . . 4146 1 41 . 1 1 4 4 LEU C C 13 177.81 0.05 . 1 . . . . . . . . 4146 1 42 . 1 1 4 4 LEU CA C 13 57.75 0.05 . 1 . . . . . . . . 4146 1 43 . 1 1 4 4 LEU CB C 13 42.01 0.05 . 1 . . . . . . . . 4146 1 44 . 1 1 4 4 LEU CG C 13 27.36 0.05 . 1 . . . . . . . . 4146 1 45 . 1 1 4 4 LEU CD1 C 13 24.50 0.05 . 2 . . . . . . . . 4146 1 46 . 1 1 4 4 LEU N N 15 121.75 0.05 . 1 . . . . . . . . 4146 1 47 . 1 1 5 5 ASN H H 1 8.03 0.02 . 1 . . . . . . . . 4146 1 48 . 1 1 5 5 ASN HA H 1 4.45 0.02 . 1 . . . . . . . . 4146 1 49 . 1 1 5 5 ASN HB2 H 1 2.76 0.02 . 2 . . . . . . . . 4146 1 50 . 1 1 5 5 ASN HB3 H 1 2.89 0.02 . 2 . . . . . . . . 4146 1 51 . 1 1 5 5 ASN HD21 H 1 6.59 0.02 . 2 . . . . . . . . 4146 1 52 . 1 1 5 5 ASN HD22 H 1 7.44 0.02 . 2 . . . . . . . . 4146 1 53 . 1 1 5 5 ASN C C 13 177.22 0.05 . 1 . . . . . . . . 4146 1 54 . 1 1 5 5 ASN CA C 13 56.33 0.05 . 1 . . . . . . . . 4146 1 55 . 1 1 5 5 ASN CB C 13 38.42 0.05 . 1 . . . . . . . . 4146 1 56 . 1 1 5 5 ASN N N 15 115.95 0.05 . 1 . . . . . . . . 4146 1 57 . 1 1 6 6 MET H H 1 7.95 0.02 . 1 . . . . . . . . 4146 1 58 . 1 1 6 6 MET HA H 1 4.22 0.02 . 1 . . . . . . . . 4146 1 59 . 1 1 6 6 MET HB2 H 1 2.12 0.02 . 2 . . . . . . . . 4146 1 60 . 1 1 6 6 MET HG2 H 1 2.58 0.02 . 2 . . . . . . . . 4146 1 61 . 1 1 6 6 MET HG3 H 1 2.65 0.02 . 2 . . . . . . . . 4146 1 62 . 1 1 6 6 MET C C 13 177.45 0.05 . 1 . . . . . . . . 4146 1 63 . 1 1 6 6 MET CA C 13 57.88 0.05 . 1 . . . . . . . . 4146 1 64 . 1 1 6 6 MET CB C 13 32.57 0.05 . 1 . . . . . . . . 4146 1 65 . 1 1 6 6 MET CG C 13 32.57 0.05 . 1 . . . . . . . . 4146 1 66 . 1 1 6 6 MET N N 15 117.85 0.05 . 1 . . . . . . . . 4146 1 67 . 1 1 7 7 ASP H H 1 8.12 0.02 . 1 . . . . . . . . 4146 1 68 . 1 1 7 7 ASP HA H 1 4.47 0.02 . 1 . . . . . . . . 4146 1 69 . 1 1 7 7 ASP HB2 H 1 2.83 0.02 . 2 . . . . . . . . 4146 1 70 . 1 1 7 7 ASP HB3 H 1 3.17 0.02 . 2 . . . . . . . . 4146 1 71 . 1 1 7 7 ASP C C 13 177.17 0.05 . 1 . . . . . . . . 4146 1 72 . 1 1 7 7 ASP CA C 13 56.62 0.05 . 1 . . . . . . . . 4146 1 73 . 1 1 7 7 ASP CB C 13 37.49 0.05 . 1 . . . . . . . . 4146 1 74 . 1 1 7 7 ASP N N 15 117.82 0.05 . 1 . . . . . . . . 4146 1 75 . 1 1 8 8 LEU H H 1 8.08 0.02 . 1 . . . . . . . . 4146 1 76 . 1 1 8 8 LEU HA H 1 4.13 0.02 . 1 . . . . . . . . 4146 1 77 . 1 1 8 8 LEU HB2 H 1 1.65 0.02 . 2 . . . . . . . . 4146 1 78 . 1 1 8 8 LEU HB3 H 1 1.95 0.02 . 2 . . . . . . . . 4146 1 79 . 1 1 8 8 LEU HG H 1 1.88 0.02 . 1 . . . . . . . . 4146 1 80 . 1 1 8 8 LEU HD11 H 1 0.96 0.02 . 2 . . . . . . . . 4146 1 81 . 1 1 8 8 LEU HD12 H 1 0.96 0.02 . 2 . . . . . . . . 4146 1 82 . 1 1 8 8 LEU HD13 H 1 0.96 0.02 . 2 . . . . . . . . 4146 1 83 . 1 1 8 8 LEU HD21 H 1 0.98 0.02 . 2 . . . . . . . . 4146 1 84 . 1 1 8 8 LEU HD22 H 1 0.98 0.02 . 2 . . . . . . . . 4146 1 85 . 1 1 8 8 LEU HD23 H 1 0.98 0.02 . 2 . . . . . . . . 4146 1 86 . 1 1 8 8 LEU C C 13 178.53 0.05 . 1 . . . . . . . . 4146 1 87 . 1 1 8 8 LEU CA C 13 58.23 0.05 . 1 . . . . . . . . 4146 1 88 . 1 1 8 8 LEU CB C 13 41.84 0.05 . 1 . . . . . . . . 4146 1 89 . 1 1 8 8 LEU CG C 13 27.33 0.05 . 1 . . . . . . . . 4146 1 90 . 1 1 8 8 LEU CD1 C 13 23.88 0.05 . 2 . . . . . . . . 4146 1 91 . 1 1 8 8 LEU CD2 C 13 25.38 0.05 . 2 . . . . . . . . 4146 1 92 . 1 1 8 8 LEU N N 15 119.34 0.05 . 1 . . . . . . . . 4146 1 93 . 1 1 9 9 LEU H H 1 7.76 0.02 . 1 . . . . . . . . 4146 1 94 . 1 1 9 9 LEU HA H 1 4.07 0.02 . 1 . . . . . . . . 4146 1 95 . 1 1 9 9 LEU HB2 H 1 1.70 0.02 . 2 . . . . . . . . 4146 1 96 . 1 1 9 9 LEU HB3 H 1 1.85 0.02 . 2 . . . . . . . . 4146 1 97 . 1 1 9 9 LEU HG H 1 1.80 0.02 . 1 . . . . . . . . 4146 1 98 . 1 1 9 9 LEU HD11 H 1 0.93 0.02 . 2 . . . . . . . . 4146 1 99 . 1 1 9 9 LEU HD12 H 1 0.93 0.02 . 2 . . . . . . . . 4146 1 100 . 1 1 9 9 LEU HD13 H 1 0.93 0.02 . 2 . . . . . . . . 4146 1 101 . 1 1 9 9 LEU HD21 H 1 0.95 0.02 . 2 . . . . . . . . 4146 1 102 . 1 1 9 9 LEU HD22 H 1 0.95 0.02 . 2 . . . . . . . . 4146 1 103 . 1 1 9 9 LEU HD23 H 1 0.95 0.02 . 2 . . . . . . . . 4146 1 104 . 1 1 9 9 LEU C C 13 178.71 0.05 . 1 . . . . . . . . 4146 1 105 . 1 1 9 9 LEU CA C 13 58.30 0.05 . 1 . . . . . . . . 4146 1 106 . 1 1 9 9 LEU CB C 13 41.69 0.05 . 1 . . . . . . . . 4146 1 107 . 1 1 9 9 LEU CG C 13 27.23 0.05 . 1 . . . . . . . . 4146 1 108 . 1 1 9 9 LEU CD1 C 13 25.09 0.05 . 2 . . . . . . . . 4146 1 109 . 1 1 9 9 LEU CD2 C 13 24.29 0.05 . 2 . . . . . . . . 4146 1 110 . 1 1 9 9 LEU N N 15 119.41 0.05 . 1 . . . . . . . . 4146 1 111 . 1 1 10 10 TYR H H 1 8.26 0.02 . 1 . . . . . . . . 4146 1 112 . 1 1 10 10 TYR HA H 1 4.22 0.02 . 1 . . . . . . . . 4146 1 113 . 1 1 10 10 TYR HB2 H 1 3.18 0.02 . 2 . . . . . . . . 4146 1 114 . 1 1 10 10 TYR HD1 H 1 7.11 0.02 . 3 . . . . . . . . 4146 1 115 . 1 1 10 10 TYR HD2 H 1 7.11 0.02 . 3 . . . . . . . . 4146 1 116 . 1 1 10 10 TYR HE1 H 1 6.75 0.02 . 3 . . . . . . . . 4146 1 117 . 1 1 10 10 TYR HE2 H 1 6.75 0.02 . 3 . . . . . . . . 4146 1 118 . 1 1 10 10 TYR C C 13 178.05 0.05 . 1 . . . . . . . . 4146 1 119 . 1 1 10 10 TYR CA C 13 61.39 0.05 . 1 . . . . . . . . 4146 1 120 . 1 1 10 10 TYR CB C 13 38.16 0.05 . 1 . . . . . . . . 4146 1 121 . 1 1 10 10 TYR CD1 C 13 132.56 0.05 . 3 . . . . . . . . 4146 1 122 . 1 1 10 10 TYR CD2 C 13 132.56 0.05 . 3 . . . . . . . . 4146 1 123 . 1 1 10 10 TYR CE1 C 13 117.77 0.05 . 3 . . . . . . . . 4146 1 124 . 1 1 10 10 TYR CE2 C 13 117.77 0.05 . 3 . . . . . . . . 4146 1 125 . 1 1 10 10 TYR N N 15 118.33 0.05 . 1 . . . . . . . . 4146 1 126 . 1 1 11 11 MET H H 1 8.25 0.02 . 1 . . . . . . . . 4146 1 127 . 1 1 11 11 MET HA H 1 4.14 0.02 . 1 . . . . . . . . 4146 1 128 . 1 1 11 11 MET HB2 H 1 2.25 0.02 . 2 . . . . . . . . 4146 1 129 . 1 1 11 11 MET HB3 H 1 2.32 0.02 . 2 . . . . . . . . 4146 1 130 . 1 1 11 11 MET HG2 H 1 2.63 0.02 . 2 . . . . . . . . 4146 1 131 . 1 1 11 11 MET HG3 H 1 2.80 0.02 . 2 . . . . . . . . 4146 1 132 . 1 1 11 11 MET C C 13 177.51 0.05 . 1 . . . . . . . . 4146 1 133 . 1 1 11 11 MET CA C 13 59.05 0.05 . 1 . . . . . . . . 4146 1 134 . 1 1 11 11 MET CB C 13 32.91 0.05 . 1 . . . . . . . . 4146 1 135 . 1 1 11 11 MET CG C 13 32.91 0.05 . 1 . . . . . . . . 4146 1 136 . 1 1 11 11 MET N N 15 117.81 0.05 . 1 . . . . . . . . 4146 1 137 . 1 1 12 12 ALA H H 1 8.45 0.02 . 1 . . . . . . . . 4146 1 138 . 1 1 12 12 ALA HA H 1 4.04 0.02 . 1 . . . . . . . . 4146 1 139 . 1 1 12 12 ALA HB1 H 1 1.59 0.02 . 1 . . . . . . . . 4146 1 140 . 1 1 12 12 ALA HB2 H 1 1.59 0.02 . 1 . . . . . . . . 4146 1 141 . 1 1 12 12 ALA HB3 H 1 1.59 0.02 . 1 . . . . . . . . 4146 1 142 . 1 1 12 12 ALA C C 13 179.39 0.05 . 1 . . . . . . . . 4146 1 143 . 1 1 12 12 ALA CA C 13 55.61 0.05 . 1 . . . . . . . . 4146 1 144 . 1 1 12 12 ALA CB C 13 18.29 0.05 . 1 . . . . . . . . 4146 1 145 . 1 1 12 12 ALA N N 15 120.88 0.05 . 1 . . . . . . . . 4146 1 146 . 1 1 13 13 ALA H H 1 8.29 0.02 . 1 . . . . . . . . 4146 1 147 . 1 1 13 13 ALA HA H 1 4.05 0.02 . 1 . . . . . . . . 4146 1 148 . 1 1 13 13 ALA HB1 H 1 1.55 0.02 . 1 . . . . . . . . 4146 1 149 . 1 1 13 13 ALA HB2 H 1 1.55 0.02 . 1 . . . . . . . . 4146 1 150 . 1 1 13 13 ALA HB3 H 1 1.55 0.02 . 1 . . . . . . . . 4146 1 151 . 1 1 13 13 ALA CA C 13 55.32 0.05 . 1 . . . . . . . . 4146 1 152 . 1 1 13 13 ALA CB C 13 18.31 0.05 . 1 . . . . . . . . 4146 1 153 . 1 1 13 13 ALA N N 15 119.73 0.05 . 1 . . . . . . . . 4146 1 154 . 1 1 14 14 ALA H H 1 8.24 0.02 . 1 . . . . . . . . 4146 1 155 . 1 1 14 14 ALA HA H 1 4.05 0.02 . 1 . . . . . . . . 4146 1 156 . 1 1 14 14 ALA HB1 H 1 1.55 0.02 . 1 . . . . . . . . 4146 1 157 . 1 1 14 14 ALA HB2 H 1 1.55 0.02 . 1 . . . . . . . . 4146 1 158 . 1 1 14 14 ALA HB3 H 1 1.55 0.02 . 1 . . . . . . . . 4146 1 159 . 1 1 14 14 ALA C C 13 180.55 0.05 . 1 . . . . . . . . 4146 1 160 . 1 1 14 14 ALA CA C 13 55.86 0.05 . 1 . . . . . . . . 4146 1 161 . 1 1 14 14 ALA CB C 13 18.18 0.05 . 1 . . . . . . . . 4146 1 162 . 1 1 14 14 ALA N N 15 121.00 0.05 . 1 . . . . . . . . 4146 1 163 . 1 1 15 15 VAL H H 1 8.32 0.02 . 1 . . . . . . . . 4146 1 164 . 1 1 15 15 VAL HA H 1 3.71 0.02 . 1 . . . . . . . . 4146 1 165 . 1 1 15 15 VAL HB H 1 2.23 0.02 . 1 . . . . . . . . 4146 1 166 . 1 1 15 15 VAL HG11 H 1 1.01 0.02 . 2 . . . . . . . . 4146 1 167 . 1 1 15 15 VAL HG12 H 1 1.01 0.02 . 2 . . . . . . . . 4146 1 168 . 1 1 15 15 VAL HG13 H 1 1.01 0.02 . 2 . . . . . . . . 4146 1 169 . 1 1 15 15 VAL HG21 H 1 1.17 0.02 . 2 . . . . . . . . 4146 1 170 . 1 1 15 15 VAL HG22 H 1 1.17 0.02 . 2 . . . . . . . . 4146 1 171 . 1 1 15 15 VAL HG23 H 1 1.17 0.02 . 2 . . . . . . . . 4146 1 172 . 1 1 15 15 VAL C C 13 178.07 0.05 . 1 . . . . . . . . 4146 1 173 . 1 1 15 15 VAL CA C 13 66.86 0.05 . 1 . . . . . . . . 4146 1 174 . 1 1 15 15 VAL CB C 13 31.78 0.05 . 1 . . . . . . . . 4146 1 175 . 1 1 15 15 VAL CG1 C 13 21.63 0.05 . 2 . . . . . . . . 4146 1 176 . 1 1 15 15 VAL CG2 C 13 23.45 0.05 . 2 . . . . . . . . 4146 1 177 . 1 1 15 15 VAL N N 15 118.94 0.05 . 1 . . . . . . . . 4146 1 178 . 1 1 16 16 MET H H 1 8.34 0.02 . 1 . . . . . . . . 4146 1 179 . 1 1 16 16 MET HA H 1 4.13 0.02 . 1 . . . . . . . . 4146 1 180 . 1 1 16 16 MET HB2 H 1 2.18 0.02 . 2 . . . . . . . . 4146 1 181 . 1 1 16 16 MET HB3 H 1 2.30 0.02 . 2 . . . . . . . . 4146 1 182 . 1 1 16 16 MET HG2 H 1 2.60 0.02 . 2 . . . . . . . . 4146 1 183 . 1 1 16 16 MET HG3 H 1 2.76 0.02 . 2 . . . . . . . . 4146 1 184 . 1 1 16 16 MET C C 13 178.51 0.05 . 1 . . . . . . . . 4146 1 185 . 1 1 16 16 MET CA C 13 59.45 0.05 . 1 . . . . . . . . 4146 1 186 . 1 1 16 16 MET CB C 13 33.00 0.05 . 1 . . . . . . . . 4146 1 187 . 1 1 16 16 MET CG C 13 33.00 0.05 . 1 . . . . . . . . 4146 1 188 . 1 1 16 16 MET N N 15 118.38 0.05 . 1 . . . . . . . . 4146 1 189 . 1 1 17 17 MET H H 1 8.59 0.02 . 1 . . . . . . . . 4146 1 190 . 1 1 17 17 MET HA H 1 4.19 0.02 . 1 . . . . . . . . 4146 1 191 . 1 1 17 17 MET HB2 H 1 2.16 0.02 . 2 . . . . . . . . 4146 1 192 . 1 1 17 17 MET HB3 H 1 2.28 0.02 . 2 . . . . . . . . 4146 1 193 . 1 1 17 17 MET HG2 H 1 2.61 0.02 . 2 . . . . . . . . 4146 1 194 . 1 1 17 17 MET HG3 H 1 2.77 0.02 . 2 . . . . . . . . 4146 1 195 . 1 1 17 17 MET C C 13 178.50 0.05 . 1 . . . . . . . . 4146 1 196 . 1 1 17 17 MET CA C 13 58.96 0.05 . 1 . . . . . . . . 4146 1 197 . 1 1 17 17 MET CB C 13 33.00 0.05 . 1 . . . . . . . . 4146 1 198 . 1 1 17 17 MET CG C 13 33.20 0.05 . 1 . . . . . . . . 4146 1 199 . 1 1 17 17 MET N N 15 117.78 0.05 . 1 . . . . . . . . 4146 1 200 . 1 1 18 18 GLY H H 1 8.37 0.02 . 1 . . . . . . . . 4146 1 201 . 1 1 18 18 GLY HA2 H 1 3.89 0.02 . 2 . . . . . . . . 4146 1 202 . 1 1 18 18 GLY C C 13 175.38 0.05 . 1 . . . . . . . . 4146 1 203 . 1 1 18 18 GLY CA C 13 47.81 0.05 . 1 . . . . . . . . 4146 1 204 . 1 1 18 18 GLY N N 15 107.61 0.05 . 1 . . . . . . . . 4146 1 205 . 1 1 19 19 LEU H H 1 8.52 0.02 . 1 . . . . . . . . 4146 1 206 . 1 1 19 19 LEU HA H 1 4.14 0.02 . 1 . . . . . . . . 4146 1 207 . 1 1 19 19 LEU HB2 H 1 1.62 0.02 . 2 . . . . . . . . 4146 1 208 . 1 1 19 19 LEU HB3 H 1 2.03 0.02 . 2 . . . . . . . . 4146 1 209 . 1 1 19 19 LEU HG H 1 1.97 0.02 . 1 . . . . . . . . 4146 1 210 . 1 1 19 19 LEU HD11 H 1 0.93 0.02 . 2 . . . . . . . . 4146 1 211 . 1 1 19 19 LEU HD12 H 1 0.93 0.02 . 2 . . . . . . . . 4146 1 212 . 1 1 19 19 LEU HD13 H 1 0.93 0.02 . 2 . . . . . . . . 4146 1 213 . 1 1 19 19 LEU HD21 H 1 0.93 0.02 . 2 . . . . . . . . 4146 1 214 . 1 1 19 19 LEU HD22 H 1 0.93 0.02 . 2 . . . . . . . . 4146 1 215 . 1 1 19 19 LEU HD23 H 1 0.93 0.02 . 2 . . . . . . . . 4146 1 216 . 1 1 19 19 LEU C C 13 179.62 0.05 . 1 . . . . . . . . 4146 1 217 . 1 1 19 19 LEU CA C 13 58.05 0.05 . 1 . . . . . . . . 4146 1 218 . 1 1 19 19 LEU CB C 13 41.89 0.05 . 1 . . . . . . . . 4146 1 219 . 1 1 19 19 LEU CD1 C 13 23.23 0.05 . 2 . . . . . . . . 4146 1 220 . 1 1 19 19 LEU CD2 C 13 25.99 0.05 . 2 . . . . . . . . 4146 1 221 . 1 1 19 19 LEU N N 15 121.20 0.05 . 1 . . . . . . . . 4146 1 222 . 1 1 20 20 ALA H H 1 8.32 0.02 . 1 . . . . . . . . 4146 1 223 . 1 1 20 20 ALA HA H 1 4.06 0.02 . 1 . . . . . . . . 4146 1 224 . 1 1 20 20 ALA HB1 H 1 1.62 0.02 . 1 . . . . . . . . 4146 1 225 . 1 1 20 20 ALA HB2 H 1 1.62 0.02 . 1 . . . . . . . . 4146 1 226 . 1 1 20 20 ALA HB3 H 1 1.62 0.02 . 1 . . . . . . . . 4146 1 227 . 1 1 20 20 ALA C C 13 179.06 0.05 . 1 . . . . . . . . 4146 1 228 . 1 1 20 20 ALA CA C 13 55.61 0.05 . 1 . . . . . . . . 4146 1 229 . 1 1 20 20 ALA CB C 13 18.31 0.05 . 1 . . . . . . . . 4146 1 230 . 1 1 20 20 ALA N N 15 121.73 0.05 . 1 . . . . . . . . 4146 1 231 . 1 1 21 21 ALA H H 1 8.22 0.02 . 1 . . . . . . . . 4146 1 232 . 1 1 21 21 ALA HA H 1 4.16 0.02 . 1 . . . . . . . . 4146 1 233 . 1 1 21 21 ALA HB1 H 1 1.65 0.02 . 1 . . . . . . . . 4146 1 234 . 1 1 21 21 ALA HB2 H 1 1.65 0.02 . 1 . . . . . . . . 4146 1 235 . 1 1 21 21 ALA HB3 H 1 1.65 0.02 . 1 . . . . . . . . 4146 1 236 . 1 1 21 21 ALA C C 13 179.89 0.05 . 1 . . . . . . . . 4146 1 237 . 1 1 21 21 ALA CA C 13 55.61 0.05 . 1 . . . . . . . . 4146 1 238 . 1 1 21 21 ALA CB C 13 18.40 0.05 . 1 . . . . . . . . 4146 1 239 . 1 1 21 21 ALA N N 15 120.48 0.05 . 1 . . . . . . . . 4146 1 240 . 1 1 22 22 ILE H H 1 8.21 0.02 . 1 . . . . . . . . 4146 1 241 . 1 1 22 22 ILE HA H 1 3.78 0.02 . 1 . . . . . . . . 4146 1 242 . 1 1 22 22 ILE HB H 1 2.02 0.02 . 1 . . . . . . . . 4146 1 243 . 1 1 22 22 ILE HG12 H 1 1.19 0.02 . 1 . . . . . . . . 4146 1 244 . 1 1 22 22 ILE HG13 H 1 1.92 0.02 . 1 . . . . . . . . 4146 1 245 . 1 1 22 22 ILE HG21 H 1 1.00 0.02 . 1 . . . . . . . . 4146 1 246 . 1 1 22 22 ILE HG22 H 1 1.00 0.02 . 1 . . . . . . . . 4146 1 247 . 1 1 22 22 ILE HG23 H 1 1.00 0.02 . 1 . . . . . . . . 4146 1 248 . 1 1 22 22 ILE HD11 H 1 0.91 0.02 . 1 . . . . . . . . 4146 1 249 . 1 1 22 22 ILE HD12 H 1 0.91 0.02 . 1 . . . . . . . . 4146 1 250 . 1 1 22 22 ILE HD13 H 1 0.91 0.02 . 1 . . . . . . . . 4146 1 251 . 1 1 22 22 ILE C C 13 178.06 0.05 . 1 . . . . . . . . 4146 1 252 . 1 1 22 22 ILE CA C 13 65.19 0.05 . 1 . . . . . . . . 4146 1 253 . 1 1 22 22 ILE CB C 13 37.89 0.05 . 1 . . . . . . . . 4146 1 254 . 1 1 22 22 ILE CG1 C 13 29.44 0.05 . 1 . . . . . . . . 4146 1 255 . 1 1 22 22 ILE CG2 C 13 17.79 0.05 . 1 . . . . . . . . 4146 1 256 . 1 1 22 22 ILE CD1 C 13 13.58 0.05 . 1 . . . . . . . . 4146 1 257 . 1 1 22 22 ILE N N 15 118.79 0.05 . 1 . . . . . . . . 4146 1 258 . 1 1 23 23 GLY H H 1 8.52 0.02 . 1 . . . . . . . . 4146 1 259 . 1 1 23 23 GLY HA2 H 1 3.82 0.02 . 2 . . . . . . . . 4146 1 260 . 1 1 23 23 GLY C C 13 176.00 0.05 . 1 . . . . . . . . 4146 1 261 . 1 1 23 23 GLY CA C 13 48.00 0.05 . 1 . . . . . . . . 4146 1 262 . 1 1 23 23 GLY N N 15 106.45 0.05 . 1 . . . . . . . . 4146 1 263 . 1 1 24 24 ALA H H 1 8.48 0.02 . 1 . . . . . . . . 4146 1 264 . 1 1 24 24 ALA HA H 1 4.21 0.02 . 1 . . . . . . . . 4146 1 265 . 1 1 24 24 ALA HB1 H 1 1.59 0.02 . 1 . . . . . . . . 4146 1 266 . 1 1 24 24 ALA HB2 H 1 1.59 0.02 . 1 . . . . . . . . 4146 1 267 . 1 1 24 24 ALA HB3 H 1 1.59 0.02 . 1 . . . . . . . . 4146 1 268 . 1 1 24 24 ALA C C 13 178.76 0.05 . 1 . . . . . . . . 4146 1 269 . 1 1 24 24 ALA CA C 13 55.24 0.05 . 1 . . . . . . . . 4146 1 270 . 1 1 24 24 ALA CB C 13 18.38 0.05 . 1 . . . . . . . . 4146 1 271 . 1 1 24 24 ALA N N 15 123.84 0.05 . 1 . . . . . . . . 4146 1 272 . 1 1 25 25 ALA H H 1 8.15 0.02 . 1 . . . . . . . . 4146 1 273 . 1 1 25 25 ALA HA H 1 4.07 0.02 . 1 . . . . . . . . 4146 1 274 . 1 1 25 25 ALA HB1 H 1 1.66 0.02 . 1 . . . . . . . . 4146 1 275 . 1 1 25 25 ALA HB2 H 1 1.66 0.02 . 1 . . . . . . . . 4146 1 276 . 1 1 25 25 ALA HB3 H 1 1.66 0.02 . 1 . . . . . . . . 4146 1 277 . 1 1 25 25 ALA C C 13 180.41 0.05 . 1 . . . . . . . . 4146 1 278 . 1 1 25 25 ALA CA C 13 55.28 0.05 . 1 . . . . . . . . 4146 1 279 . 1 1 25 25 ALA CB C 13 18.47 0.05 . 1 . . . . . . . . 4146 1 280 . 1 1 25 25 ALA N N 15 120.48 0.05 . 1 . . . . . . . . 4146 1 281 . 1 1 26 26 ILE H H 1 8.49 0.02 . 1 . . . . . . . . 4146 1 282 . 1 1 26 26 ILE HA H 1 3.79 0.02 . 1 . . . . . . . . 4146 1 283 . 1 1 26 26 ILE HB H 1 2.04 0.02 . 1 . . . . . . . . 4146 1 284 . 1 1 26 26 ILE HG12 H 1 1.23 0.02 . 1 . . . . . . . . 4146 1 285 . 1 1 26 26 ILE HG13 H 1 1.96 0.02 . 1 . . . . . . . . 4146 1 286 . 1 1 26 26 ILE HG21 H 1 0.94 0.02 . 1 . . . . . . . . 4146 1 287 . 1 1 26 26 ILE HG22 H 1 0.94 0.02 . 1 . . . . . . . . 4146 1 288 . 1 1 26 26 ILE HG23 H 1 0.94 0.02 . 1 . . . . . . . . 4146 1 289 . 1 1 26 26 ILE HD11 H 1 0.91 0.02 . 1 . . . . . . . . 4146 1 290 . 1 1 26 26 ILE HD12 H 1 0.91 0.02 . 1 . . . . . . . . 4146 1 291 . 1 1 26 26 ILE HD13 H 1 0.91 0.02 . 1 . . . . . . . . 4146 1 292 . 1 1 26 26 ILE C C 13 178.33 0.05 . 1 . . . . . . . . 4146 1 293 . 1 1 26 26 ILE CA C 13 65.21 0.05 . 1 . . . . . . . . 4146 1 294 . 1 1 26 26 ILE CB C 13 37.84 0.05 . 1 . . . . . . . . 4146 1 295 . 1 1 26 26 ILE CG1 C 13 29.27 0.05 . 1 . . . . . . . . 4146 1 296 . 1 1 26 26 ILE CG2 C 13 17.51 0.05 . 1 . . . . . . . . 4146 1 297 . 1 1 26 26 ILE CD1 C 13 13.58 0.05 . 1 . . . . . . . . 4146 1 298 . 1 1 26 26 ILE N N 15 118.55 0.05 . 1 . . . . . . . . 4146 1 299 . 1 1 27 27 GLY H H 1 8.42 0.02 . 1 . . . . . . . . 4146 1 300 . 1 1 27 27 GLY HA2 H 1 3.79 0.02 . 2 . . . . . . . . 4146 1 301 . 1 1 27 27 GLY HA3 H 1 3.89 0.02 . 2 . . . . . . . . 4146 1 302 . 1 1 27 27 GLY C C 13 175.40 0.05 . 1 . . . . . . . . 4146 1 303 . 1 1 27 27 GLY CA C 13 48.19 0.05 . 1 . . . . . . . . 4146 1 304 . 1 1 27 27 GLY N N 15 106.87 0.05 . 1 . . . . . . . . 4146 1 305 . 1 1 28 28 ILE H H 1 8.57 0.02 . 1 . . . . . . . . 4146 1 306 . 1 1 28 28 ILE HA H 1 3.80 0.02 . 1 . . . . . . . . 4146 1 307 . 1 1 28 28 ILE HB H 1 2.03 0.02 . 1 . . . . . . . . 4146 1 308 . 1 1 28 28 ILE HG12 H 1 1.24 0.02 . 1 . . . . . . . . 4146 1 309 . 1 1 28 28 ILE HG13 H 1 1.84 0.02 . 1 . . . . . . . . 4146 1 310 . 1 1 28 28 ILE HG21 H 1 0.99 0.02 . 1 . . . . . . . . 4146 1 311 . 1 1 28 28 ILE HG22 H 1 0.99 0.02 . 1 . . . . . . . . 4146 1 312 . 1 1 28 28 ILE HG23 H 1 0.99 0.02 . 1 . . . . . . . . 4146 1 313 . 1 1 28 28 ILE HD11 H 1 0.88 0.02 . 1 . . . . . . . . 4146 1 314 . 1 1 28 28 ILE HD12 H 1 0.88 0.02 . 1 . . . . . . . . 4146 1 315 . 1 1 28 28 ILE HD13 H 1 0.88 0.02 . 1 . . . . . . . . 4146 1 316 . 1 1 28 28 ILE C C 13 178.34 0.05 . 1 . . . . . . . . 4146 1 317 . 1 1 28 28 ILE CA C 13 64.97 0.05 . 1 . . . . . . . . 4146 1 318 . 1 1 28 28 ILE CB C 13 37.55 0.05 . 1 . . . . . . . . 4146 1 319 . 1 1 28 28 ILE CG1 C 13 29.64 0.05 . 1 . . . . . . . . 4146 1 320 . 1 1 28 28 ILE CG2 C 13 17.87 0.05 . 1 . . . . . . . . 4146 1 321 . 1 1 28 28 ILE CD1 C 13 13.26 0.05 . 1 . . . . . . . . 4146 1 322 . 1 1 28 28 ILE N N 15 121.41 0.05 . 1 . . . . . . . . 4146 1 323 . 1 1 29 29 GLY H H 1 8.21 0.02 . 1 . . . . . . . . 4146 1 324 . 1 1 29 29 GLY HA2 H 1 3.90 0.02 . 2 . . . . . . . . 4146 1 325 . 1 1 29 29 GLY C C 13 176.31 0.05 . 1 . . . . . . . . 4146 1 326 . 1 1 29 29 GLY CA C 13 47.75 0.05 . 1 . . . . . . . . 4146 1 327 . 1 1 29 29 GLY N N 15 108.37 0.05 . 1 . . . . . . . . 4146 1 328 . 1 1 30 30 ILE H H 1 8.53 0.02 . 1 . . . . . . . . 4146 1 329 . 1 1 30 30 ILE HA H 1 3.85 0.02 . 1 . . . . . . . . 4146 1 330 . 1 1 30 30 ILE HB H 1 2.06 0.02 . 1 . . . . . . . . 4146 1 331 . 1 1 30 30 ILE HG12 H 1 1.16 0.02 . 1 . . . . . . . . 4146 1 332 . 1 1 30 30 ILE HG13 H 1 1.94 0.02 . 1 . . . . . . . . 4146 1 333 . 1 1 30 30 ILE HG21 H 1 0.94 0.02 . 1 . . . . . . . . 4146 1 334 . 1 1 30 30 ILE HG22 H 1 0.94 0.02 . 1 . . . . . . . . 4146 1 335 . 1 1 30 30 ILE HG23 H 1 0.94 0.02 . 1 . . . . . . . . 4146 1 336 . 1 1 30 30 ILE HD11 H 1 0.88 0.02 . 1 . . . . . . . . 4146 1 337 . 1 1 30 30 ILE HD12 H 1 0.88 0.02 . 1 . . . . . . . . 4146 1 338 . 1 1 30 30 ILE HD13 H 1 0.88 0.02 . 1 . . . . . . . . 4146 1 339 . 1 1 30 30 ILE C C 13 178.30 0.05 . 1 . . . . . . . . 4146 1 340 . 1 1 30 30 ILE CA C 13 65.23 0.05 . 1 . . . . . . . . 4146 1 341 . 1 1 30 30 ILE CB C 13 37.85 0.05 . 1 . . . . . . . . 4146 1 342 . 1 1 30 30 ILE CG1 C 13 29.07 0.05 . 1 . . . . . . . . 4146 1 343 . 1 1 30 30 ILE CG2 C 13 17.23 0.05 . 1 . . . . . . . . 4146 1 344 . 1 1 30 30 ILE CD1 C 13 13.70 0.05 . 1 . . . . . . . . 4146 1 345 . 1 1 30 30 ILE N N 15 122.50 0.05 . 1 . . . . . . . . 4146 1 346 . 1 1 31 31 LEU H H 1 8.31 0.02 . 1 . . . . . . . . 4146 1 347 . 1 1 31 31 LEU HA H 1 4.03 0.02 . 1 . . . . . . . . 4146 1 348 . 1 1 31 31 LEU HB2 H 1 1.67 0.02 . 2 . . . . . . . . 4146 1 349 . 1 1 31 31 LEU HB3 H 1 1.89 0.02 . 2 . . . . . . . . 4146 1 350 . 1 1 31 31 LEU HG H 1 1.82 0.02 . 1 . . . . . . . . 4146 1 351 . 1 1 31 31 LEU HD11 H 1 0.93 0.02 . 2 . . . . . . . . 4146 1 352 . 1 1 31 31 LEU HD12 H 1 0.93 0.02 . 2 . . . . . . . . 4146 1 353 . 1 1 31 31 LEU HD13 H 1 0.93 0.02 . 2 . . . . . . . . 4146 1 354 . 1 1 31 31 LEU HD21 H 1 0.94 0.02 . 2 . . . . . . . . 4146 1 355 . 1 1 31 31 LEU HD22 H 1 0.94 0.02 . 2 . . . . . . . . 4146 1 356 . 1 1 31 31 LEU HD23 H 1 0.94 0.02 . 2 . . . . . . . . 4146 1 357 . 1 1 31 31 LEU C C 13 179.31 0.05 . 1 . . . . . . . . 4146 1 358 . 1 1 31 31 LEU CA C 13 58.40 0.05 . 1 . . . . . . . . 4146 1 359 . 1 1 31 31 LEU CB C 13 41.87 0.05 . 1 . . . . . . . . 4146 1 360 . 1 1 31 31 LEU CG C 13 27.14 0.05 . 1 . . . . . . . . 4146 1 361 . 1 1 31 31 LEU CD1 C 13 24.07 0.05 . 2 . . . . . . . . 4146 1 362 . 1 1 31 31 LEU CD2 C 13 25.14 0.05 . 2 . . . . . . . . 4146 1 363 . 1 1 31 31 LEU N N 15 120.48 0.05 . 1 . . . . . . . . 4146 1 364 . 1 1 32 32 GLY H H 1 8.94 0.02 . 1 . . . . . . . . 4146 1 365 . 1 1 32 32 GLY HA2 H 1 3.94 0.02 . 2 . . . . . . . . 4146 1 366 . 1 1 32 32 GLY C C 13 175.92 0.05 . 1 . . . . . . . . 4146 1 367 . 1 1 32 32 GLY CA C 13 47.70 0.05 . 1 . . . . . . . . 4146 1 368 . 1 1 32 32 GLY N N 15 106.38 0.05 . 1 . . . . . . . . 4146 1 369 . 1 1 33 33 GLY H H 1 8.34 0.02 . 1 . . . . . . . . 4146 1 370 . 1 1 33 33 GLY HA2 H 1 3.92 0.02 . 2 . . . . . . . . 4146 1 371 . 1 1 33 33 GLY CA C 13 47.68 0.05 . 1 . . . . . . . . 4146 1 372 . 1 1 33 33 GLY N N 15 108.62 0.05 . 1 . . . . . . . . 4146 1 373 . 1 1 34 34 LYS H H 1 8.29 0.02 . 1 . . . . . . . . 4146 1 374 . 1 1 34 34 LYS HA H 1 4.16 0.02 . 1 . . . . . . . . 4146 1 375 . 1 1 34 34 LYS HB2 H 1 1.91 0.02 . 2 . . . . . . . . 4146 1 376 . 1 1 34 34 LYS HB3 H 1 2.10 0.02 . 2 . . . . . . . . 4146 1 377 . 1 1 34 34 LYS HG2 H 1 1.60 0.02 . 2 . . . . . . . . 4146 1 378 . 1 1 34 34 LYS HD2 H 1 1.71 0.02 . 2 . . . . . . . . 4146 1 379 . 1 1 34 34 LYS HE2 H 1 2.91 0.02 . 2 . . . . . . . . 4146 1 380 . 1 1 34 34 LYS HE3 H 1 2.94 0.02 . 2 . . . . . . . . 4146 1 381 . 1 1 34 34 LYS C C 13 179.27 0.05 . 1 . . . . . . . . 4146 1 382 . 1 1 34 34 LYS CA C 13 58.56 0.05 . 1 . . . . . . . . 4146 1 383 . 1 1 34 34 LYS CB C 13 31.54 0.05 . 1 . . . . . . . . 4146 1 384 . 1 1 34 34 LYS CG C 13 24.95 0.05 . 1 . . . . . . . . 4146 1 385 . 1 1 34 34 LYS CD C 13 28.63 0.05 . 1 . . . . . . . . 4146 1 386 . 1 1 34 34 LYS CE C 13 42.10 0.05 . 1 . . . . . . . . 4146 1 387 . 1 1 34 34 LYS N N 15 121.00 0.05 . 1 . . . . . . . . 4146 1 388 . 1 1 35 35 PHE H H 1 8.40 0.02 . 1 . . . . . . . . 4146 1 389 . 1 1 35 35 PHE HA H 1 4.30 0.02 . 1 . . . . . . . . 4146 1 390 . 1 1 35 35 PHE HB2 H 1 3.30 0.02 . 2 . . . . . . . . 4146 1 391 . 1 1 35 35 PHE HB3 H 1 3.37 0.02 . 2 . . . . . . . . 4146 1 392 . 1 1 35 35 PHE HD1 H 1 7.26 0.02 . 3 . . . . . . . . 4146 1 393 . 1 1 35 35 PHE HD2 H 1 7.26 0.02 . 3 . . . . . . . . 4146 1 394 . 1 1 35 35 PHE HE1 H 1 7.26 0.02 . 3 . . . . . . . . 4146 1 395 . 1 1 35 35 PHE HE2 H 1 7.26 0.02 . 3 . . . . . . . . 4146 1 396 . 1 1 35 35 PHE HZ H 1 7.22 0.02 . 1 . . . . . . . . 4146 1 397 . 1 1 35 35 PHE C C 13 177.75 0.05 . 1 . . . . . . . . 4146 1 398 . 1 1 35 35 PHE CA C 13 61.39 0.05 . 1 . . . . . . . . 4146 1 399 . 1 1 35 35 PHE CB C 13 38.99 0.05 . 1 . . . . . . . . 4146 1 400 . 1 1 35 35 PHE CD1 C 13 131.73 0.05 . 3 . . . . . . . . 4146 1 401 . 1 1 35 35 PHE CD2 C 13 131.73 0.05 . 3 . . . . . . . . 4146 1 402 . 1 1 35 35 PHE CE1 C 13 130.79 0.05 . 3 . . . . . . . . 4146 1 403 . 1 1 35 35 PHE CE2 C 13 130.79 0.05 . 3 . . . . . . . . 4146 1 404 . 1 1 35 35 PHE CZ C 13 129.26 0.05 . 1 . . . . . . . . 4146 1 405 . 1 1 35 35 PHE N N 15 120.33 0.05 . 1 . . . . . . . . 4146 1 406 . 1 1 36 36 LEU H H 1 8.33 0.02 . 1 . . . . . . . . 4146 1 407 . 1 1 36 36 LEU HA H 1 4.00 0.02 . 1 . . . . . . . . 4146 1 408 . 1 1 36 36 LEU HB2 H 1 1.65 0.02 . 2 . . . . . . . . 4146 1 409 . 1 1 36 36 LEU HB3 H 1 1.98 0.02 . 2 . . . . . . . . 4146 1 410 . 1 1 36 36 LEU HG H 1 1.92 0.02 . 1 . . . . . . . . 4146 1 411 . 1 1 36 36 LEU HD11 H 1 0.91 0.02 . 2 . . . . . . . . 4146 1 412 . 1 1 36 36 LEU HD12 H 1 0.91 0.02 . 2 . . . . . . . . 4146 1 413 . 1 1 36 36 LEU HD13 H 1 0.91 0.02 . 2 . . . . . . . . 4146 1 414 . 1 1 36 36 LEU HD21 H 1 0.98 0.02 . 2 . . . . . . . . 4146 1 415 . 1 1 36 36 LEU HD22 H 1 0.98 0.02 . 2 . . . . . . . . 4146 1 416 . 1 1 36 36 LEU HD23 H 1 0.98 0.02 . 2 . . . . . . . . 4146 1 417 . 1 1 36 36 LEU C C 13 178.93 0.05 . 1 . . . . . . . . 4146 1 418 . 1 1 36 36 LEU CA C 13 58.11 0.05 . 1 . . . . . . . . 4146 1 419 . 1 1 36 36 LEU CB C 13 42.09 0.05 . 1 . . . . . . . . 4146 1 420 . 1 1 36 36 LEU CG C 13 26.99 0.05 . 1 . . . . . . . . 4146 1 421 . 1 1 36 36 LEU CD1 C 13 25.68 0.05 . 2 . . . . . . . . 4146 1 422 . 1 1 36 36 LEU CD2 C 13 23.61 0.05 . 2 . . . . . . . . 4146 1 423 . 1 1 36 36 LEU N N 15 119.55 0.05 . 1 . . . . . . . . 4146 1 424 . 1 1 37 37 GLU H H 1 8.24 0.02 . 1 . . . . . . . . 4146 1 425 . 1 1 37 37 GLU HA H 1 3.96 0.02 . 1 . . . . . . . . 4146 1 426 . 1 1 37 37 GLU HB2 H 1 2.13 0.02 . 2 . . . . . . . . 4146 1 427 . 1 1 37 37 GLU HB3 H 1 2.24 0.02 . 2 . . . . . . . . 4146 1 428 . 1 1 37 37 GLU HG2 H 1 2.40 0.02 . 2 . . . . . . . . 4146 1 429 . 1 1 37 37 GLU HG3 H 1 2.61 0.02 . 2 . . . . . . . . 4146 1 430 . 1 1 37 37 GLU C C 13 178.36 0.05 . 1 . . . . . . . . 4146 1 431 . 1 1 37 37 GLU CA C 13 59.08 0.05 . 1 . . . . . . . . 4146 1 432 . 1 1 37 37 GLU CB C 13 28.27 0.05 . 1 . . . . . . . . 4146 1 433 . 1 1 37 37 GLU CG C 13 33.85 0.05 . 1 . . . . . . . . 4146 1 434 . 1 1 37 37 GLU N N 15 117.21 0.05 . 1 . . . . . . . . 4146 1 435 . 1 1 38 38 GLY H H 1 8.07 0.02 . 1 . . . . . . . . 4146 1 436 . 1 1 38 38 GLY HA2 H 1 3.67 0.02 . 2 . . . . . . . . 4146 1 437 . 1 1 38 38 GLY HA3 H 1 3.80 0.02 . 2 . . . . . . . . 4146 1 438 . 1 1 38 38 GLY C C 13 175.58 0.05 . 1 . . . . . . . . 4146 1 439 . 1 1 38 38 GLY CA C 13 47.01 0.05 . 1 . . . . . . . . 4146 1 440 . 1 1 38 38 GLY N N 15 105.17 0.05 . 1 . . . . . . . . 4146 1 441 . 1 1 39 39 ALA H H 1 8.17 0.02 . 1 . . . . . . . . 4146 1 442 . 1 1 39 39 ALA HA H 1 4.05 0.02 . 1 . . . . . . . . 4146 1 443 . 1 1 39 39 ALA HB1 H 1 1.33 0.02 . 1 . . . . . . . . 4146 1 444 . 1 1 39 39 ALA HB2 H 1 1.33 0.02 . 1 . . . . . . . . 4146 1 445 . 1 1 39 39 ALA HB3 H 1 1.33 0.02 . 1 . . . . . . . . 4146 1 446 . 1 1 39 39 ALA C C 13 178.43 0.05 . 1 . . . . . . . . 4146 1 447 . 1 1 39 39 ALA CA C 13 54.62 0.05 . 1 . . . . . . . . 4146 1 448 . 1 1 39 39 ALA CB C 13 18.30 0.05 . 1 . . . . . . . . 4146 1 449 . 1 1 39 39 ALA N N 15 123.80 0.05 . 1 . . . . . . . . 4146 1 450 . 1 1 40 40 ALA H H 1 7.88 0.02 . 1 . . . . . . . . 4146 1 451 . 1 1 40 40 ALA HA H 1 4.16 0.02 . 1 . . . . . . . . 4146 1 452 . 1 1 40 40 ALA HB1 H 1 1.50 0.02 . 1 . . . . . . . . 4146 1 453 . 1 1 40 40 ALA HB2 H 1 1.50 0.02 . 1 . . . . . . . . 4146 1 454 . 1 1 40 40 ALA HB3 H 1 1.50 0.02 . 1 . . . . . . . . 4146 1 455 . 1 1 40 40 ALA C C 13 177.69 0.05 . 1 . . . . . . . . 4146 1 456 . 1 1 40 40 ALA CA C 13 53.69 0.05 . 1 . . . . . . . . 4146 1 457 . 1 1 40 40 ALA CB C 13 18.71 0.05 . 1 . . . . . . . . 4146 1 458 . 1 1 40 40 ALA N N 15 117.36 0.05 . 1 . . . . . . . . 4146 1 459 . 1 1 41 41 ARG H H 1 7.46 0.02 . 1 . . . . . . . . 4146 1 460 . 1 1 41 41 ARG HA H 1 4.33 0.02 . 1 . . . . . . . . 4146 1 461 . 1 1 41 41 ARG HB2 H 1 1.87 0.02 . 2 . . . . . . . . 4146 1 462 . 1 1 41 41 ARG HB3 H 1 2.03 0.02 . 2 . . . . . . . . 4146 1 463 . 1 1 41 41 ARG HG2 H 1 1.71 0.02 . 2 . . . . . . . . 4146 1 464 . 1 1 41 41 ARG HG3 H 1 1.84 0.02 . 2 . . . . . . . . 4146 1 465 . 1 1 41 41 ARG HD2 H 1 3.21 0.02 . 2 . . . . . . . . 4146 1 466 . 1 1 41 41 ARG C C 13 175.85 0.05 . 1 . . . . . . . . 4146 1 467 . 1 1 41 41 ARG CA C 13 56.13 0.05 . 1 . . . . . . . . 4146 1 468 . 1 1 41 41 ARG CB C 13 30.81 0.05 . 1 . . . . . . . . 4146 1 469 . 1 1 41 41 ARG CG C 13 27.78 0.05 . 1 . . . . . . . . 4146 1 470 . 1 1 41 41 ARG CD C 13 43.59 0.05 . 1 . . . . . . . . 4146 1 471 . 1 1 41 41 ARG N N 15 113.96 0.05 . 1 . . . . . . . . 4146 1 472 . 1 1 42 42 GLN H H 1 7.71 0.02 . 1 . . . . . . . . 4146 1 473 . 1 1 42 42 GLN HA H 1 4.60 0.02 . 1 . . . . . . . . 4146 1 474 . 1 1 42 42 GLN HB2 H 1 2.07 0.02 . 2 . . . . . . . . 4146 1 475 . 1 1 42 42 GLN HB3 H 1 2.22 0.02 . 2 . . . . . . . . 4146 1 476 . 1 1 42 42 GLN HG2 H 1 2.43 0.02 . 2 . . . . . . . . 4146 1 477 . 1 1 42 42 GLN HE21 H 1 6.53 0.02 . 2 . . . . . . . . 4146 1 478 . 1 1 42 42 GLN HE22 H 1 7.53 0.02 . 2 . . . . . . . . 4146 1 479 . 1 1 42 42 GLN CA C 13 54.80 0.05 . 1 . . . . . . . . 4146 1 480 . 1 1 42 42 GLN CB C 13 28.89 0.05 . 1 . . . . . . . . 4146 1 481 . 1 1 42 42 GLN CG C 13 33.68 0.05 . 1 . . . . . . . . 4146 1 482 . 1 1 42 42 GLN N N 15 118.46 0.05 . 1 . . . . . . . . 4146 1 483 . 1 1 43 43 PRO HA H 1 4.42 0.02 . 1 . . . . . . . . 4146 1 484 . 1 1 43 43 PRO HB2 H 1 1.94 0.02 . 1 . . . . . . . . 4146 1 485 . 1 1 43 43 PRO HB3 H 1 2.33 0.02 . 1 . . . . . . . . 4146 1 486 . 1 1 43 43 PRO HG2 H 1 2.04 0.02 . 2 . . . . . . . . 4146 1 487 . 1 1 43 43 PRO HD2 H 1 3.72 0.02 . 1 . . . . . . . . 4146 1 488 . 1 1 43 43 PRO HD3 H 1 3.78 0.02 . 1 . . . . . . . . 4146 1 489 . 1 1 43 43 PRO C C 13 176.84 0.05 . 1 . . . . . . . . 4146 1 490 . 1 1 43 43 PRO CA C 13 64.57 0.05 . 1 . . . . . . . . 4146 1 491 . 1 1 43 43 PRO CB C 13 31.85 0.05 . 1 . . . . . . . . 4146 1 492 . 1 1 43 43 PRO CG C 13 27.67 0.05 . 1 . . . . . . . . 4146 1 493 . 1 1 43 43 PRO CD C 13 50.49 0.05 . 1 . . . . . . . . 4146 1 494 . 1 1 44 44 ASP H H 1 8.37 0.02 . 1 . . . . . . . . 4146 1 495 . 1 1 44 44 ASP HA H 1 4.56 0.02 . 1 . . . . . . . . 4146 1 496 . 1 1 44 44 ASP HB2 H 1 2.76 0.02 . 1 . . . . . . . . 4146 1 497 . 1 1 44 44 ASP HB3 H 1 2.89 0.02 . 1 . . . . . . . . 4146 1 498 . 1 1 44 44 ASP C C 13 175.38 0.05 . 1 . . . . . . . . 4146 1 499 . 1 1 44 44 ASP CA C 13 54.15 0.05 . 1 . . . . . . . . 4146 1 500 . 1 1 44 44 ASP CB C 13 38.13 0.05 . 1 . . . . . . . . 4146 1 501 . 1 1 44 44 ASP N N 15 114.92 0.05 . 1 . . . . . . . . 4146 1 502 . 1 1 45 45 LEU H H 1 8.06 0.02 . 1 . . . . . . . . 4146 1 503 . 1 1 45 45 LEU HA H 1 4.28 0.02 . 1 . . . . . . . . 4146 1 504 . 1 1 45 45 LEU HB2 H 1 1.69 0.02 . 2 . . . . . . . . 4146 1 505 . 1 1 45 45 LEU HB3 H 1 1.81 0.02 . 2 . . . . . . . . 4146 1 506 . 1 1 45 45 LEU HG H 1 1.74 0.02 . 1 . . . . . . . . 4146 1 507 . 1 1 45 45 LEU HD11 H 1 0.91 0.02 . 2 . . . . . . . . 4146 1 508 . 1 1 45 45 LEU HD12 H 1 0.91 0.02 . 2 . . . . . . . . 4146 1 509 . 1 1 45 45 LEU HD13 H 1 0.91 0.02 . 2 . . . . . . . . 4146 1 510 . 1 1 45 45 LEU HD21 H 1 0.92 0.02 . 2 . . . . . . . . 4146 1 511 . 1 1 45 45 LEU HD22 H 1 0.92 0.02 . 2 . . . . . . . . 4146 1 512 . 1 1 45 45 LEU HD23 H 1 0.92 0.02 . 2 . . . . . . . . 4146 1 513 . 1 1 45 45 LEU C C 13 177.90 0.05 . 1 . . . . . . . . 4146 1 514 . 1 1 45 45 LEU CA C 13 56.57 0.05 . 1 . . . . . . . . 4146 1 515 . 1 1 45 45 LEU CB C 13 42.68 0.05 . 1 . . . . . . . . 4146 1 516 . 1 1 45 45 LEU CG C 13 27.33 0.05 . 1 . . . . . . . . 4146 1 517 . 1 1 45 45 LEU CD1 C 13 23.85 0.05 . 2 . . . . . . . . 4146 1 518 . 1 1 45 45 LEU CD2 C 13 25.08 0.05 . 2 . . . . . . . . 4146 1 519 . 1 1 45 45 LEU N N 15 119.07 0.05 . 1 . . . . . . . . 4146 1 520 . 1 1 46 46 ILE H H 1 8.05 0.02 . 1 . . . . . . . . 4146 1 521 . 1 1 46 46 ILE HA H 1 3.90 0.02 . 1 . . . . . . . . 4146 1 522 . 1 1 46 46 ILE HB H 1 2.25 0.02 . 1 . . . . . . . . 4146 1 523 . 1 1 46 46 ILE HG12 H 1 1.28 0.02 . 1 . . . . . . . . 4146 1 524 . 1 1 46 46 ILE HG13 H 1 1.76 0.02 . 1 . . . . . . . . 4146 1 525 . 1 1 46 46 ILE HG21 H 1 0.94 0.02 . 1 . . . . . . . . 4146 1 526 . 1 1 46 46 ILE HG22 H 1 0.94 0.02 . 1 . . . . . . . . 4146 1 527 . 1 1 46 46 ILE HG23 H 1 0.94 0.02 . 1 . . . . . . . . 4146 1 528 . 1 1 46 46 ILE CA C 13 66.40 0.05 . 1 . . . . . . . . 4146 1 529 . 1 1 46 46 ILE CB C 13 35.06 0.05 . 1 . . . . . . . . 4146 1 530 . 1 1 46 46 ILE CG1 C 13 29.76 0.05 . 1 . . . . . . . . 4146 1 531 . 1 1 46 46 ILE CG2 C 13 17.30 0.05 . 1 . . . . . . . . 4146 1 532 . 1 1 46 46 ILE N N 15 118.05 0.05 . 1 . . . . . . . . 4146 1 533 . 1 1 47 47 PRO HA H 1 4.27 0.02 . 1 . . . . . . . . 4146 1 534 . 1 1 47 47 PRO HB2 H 1 1.88 0.02 . 1 . . . . . . . . 4146 1 535 . 1 1 47 47 PRO HB3 H 1 2.37 0.02 . 1 . . . . . . . . 4146 1 536 . 1 1 47 47 PRO HG2 H 1 2.00 0.02 . 2 . . . . . . . . 4146 1 537 . 1 1 47 47 PRO HD2 H 1 3.64 0.02 . 1 . . . . . . . . 4146 1 538 . 1 1 47 47 PRO HD3 H 1 3.76 0.02 . 1 . . . . . . . . 4146 1 539 . 1 1 47 47 PRO C C 13 178.90 0.05 . 1 . . . . . . . . 4146 1 540 . 1 1 47 47 PRO CA C 13 66.19 0.05 . 1 . . . . . . . . 4146 1 541 . 1 1 47 47 PRO CB C 13 31.26 0.05 . 1 . . . . . . . . 4146 1 542 . 1 1 47 47 PRO CG C 13 28.47 0.05 . 1 . . . . . . . . 4146 1 543 . 1 1 47 47 PRO CD C 13 49.50 0.05 . 1 . . . . . . . . 4146 1 544 . 1 1 48 48 LEU H H 1 7.41 0.02 . 1 . . . . . . . . 4146 1 545 . 1 1 48 48 LEU HA H 1 4.14 0.02 . 1 . . . . . . . . 4146 1 546 . 1 1 48 48 LEU HB2 H 1 1.79 0.02 . 2 . . . . . . . . 4146 1 547 . 1 1 48 48 LEU HB3 H 1 1.87 0.02 . 2 . . . . . . . . 4146 1 548 . 1 1 48 48 LEU HG H 1 1.75 0.02 . 1 . . . . . . . . 4146 1 549 . 1 1 48 48 LEU HD11 H 1 1.00 0.02 . 2 . . . . . . . . 4146 1 550 . 1 1 48 48 LEU HD12 H 1 1.00 0.02 . 2 . . . . . . . . 4146 1 551 . 1 1 48 48 LEU HD13 H 1 1.00 0.02 . 2 . . . . . . . . 4146 1 552 . 1 1 48 48 LEU C C 13 178.45 0.05 . 1 . . . . . . . . 4146 1 553 . 1 1 48 48 LEU CA C 13 58.34 0.05 . 1 . . . . . . . . 4146 1 554 . 1 1 48 48 LEU CB C 13 41.92 0.05 . 1 . . . . . . . . 4146 1 555 . 1 1 48 48 LEU CG C 13 27.57 0.05 . 1 . . . . . . . . 4146 1 556 . 1 1 48 48 LEU CD1 C 13 24.70 0.05 . 2 . . . . . . . . 4146 1 557 . 1 1 48 48 LEU N N 15 118.34 0.05 . 1 . . . . . . . . 4146 1 558 . 1 1 49 49 LEU H H 1 8.30 0.02 . 1 . . . . . . . . 4146 1 559 . 1 1 49 49 LEU HA H 1 4.13 0.02 . 1 . . . . . . . . 4146 1 560 . 1 1 49 49 LEU HB2 H 1 1.81 0.02 . 2 . . . . . . . . 4146 1 561 . 1 1 49 49 LEU HB3 H 1 1.90 0.02 . 2 . . . . . . . . 4146 1 562 . 1 1 49 49 LEU HG H 1 1.82 0.02 . 1 . . . . . . . . 4146 1 563 . 1 1 49 49 LEU HD11 H 1 0.93 0.02 . 2 . . . . . . . . 4146 1 564 . 1 1 49 49 LEU HD12 H 1 0.93 0.02 . 2 . . . . . . . . 4146 1 565 . 1 1 49 49 LEU HD13 H 1 0.93 0.02 . 2 . . . . . . . . 4146 1 566 . 1 1 49 49 LEU C C 13 179.13 0.05 . 1 . . . . . . . . 4146 1 567 . 1 1 49 49 LEU CA C 13 58.07 0.05 . 1 . . . . . . . . 4146 1 568 . 1 1 49 49 LEU CB C 13 42.03 0.05 . 1 . . . . . . . . 4146 1 569 . 1 1 49 49 LEU CG C 13 27.14 0.05 . 1 . . . . . . . . 4146 1 570 . 1 1 49 49 LEU CD1 C 13 25.50 0.05 . 2 . . . . . . . . 4146 1 571 . 1 1 49 49 LEU CD2 C 13 23.68 0.05 . 2 . . . . . . . . 4146 1 572 . 1 1 49 49 LEU N N 15 120.45 0.05 . 1 . . . . . . . . 4146 1 573 . 1 1 50 50 ARG H H 1 8.57 0.02 . 1 . . . . . . . . 4146 1 574 . 1 1 50 50 ARG HA H 1 3.98 0.02 . 1 . . . . . . . . 4146 1 575 . 1 1 50 50 ARG HB2 H 1 1.93 0.02 . 2 . . . . . . . . 4146 1 576 . 1 1 50 50 ARG HB3 H 1 1.93 0.02 . 2 . . . . . . . . 4146 1 577 . 1 1 50 50 ARG HG2 H 1 1.64 0.02 . 2 . . . . . . . . 4146 1 578 . 1 1 50 50 ARG HG3 H 1 1.84 0.02 . 2 . . . . . . . . 4146 1 579 . 1 1 50 50 ARG HD2 H 1 3.18 0.02 . 2 . . . . . . . . 4146 1 580 . 1 1 50 50 ARG C C 13 177.85 0.05 . 1 . . . . . . . . 4146 1 581 . 1 1 50 50 ARG CA C 13 59.97 0.05 . 1 . . . . . . . . 4146 1 582 . 1 1 50 50 ARG CB C 13 30.45 0.05 . 1 . . . . . . . . 4146 1 583 . 1 1 50 50 ARG CG C 13 28.14 0.05 . 1 . . . . . . . . 4146 1 584 . 1 1 50 50 ARG CD C 13 43.79 0.05 . 1 . . . . . . . . 4146 1 585 . 1 1 50 50 ARG N N 15 117.54 0.05 . 1 . . . . . . . . 4146 1 586 . 1 1 51 51 THR H H 1 7.86 0.02 . 1 . . . . . . . . 4146 1 587 . 1 1 51 51 THR HA H 1 4.01 0.02 . 1 . . . . . . . . 4146 1 588 . 1 1 51 51 THR HB H 1 4.42 0.02 . 1 . . . . . . . . 4146 1 589 . 1 1 51 51 THR HG21 H 1 1.36 0.02 . 1 . . . . . . . . 4146 1 590 . 1 1 51 51 THR HG22 H 1 1.36 0.02 . 1 . . . . . . . . 4146 1 591 . 1 1 51 51 THR HG23 H 1 1.36 0.02 . 1 . . . . . . . . 4146 1 592 . 1 1 51 51 THR C C 13 175.65 0.05 . 1 . . . . . . . . 4146 1 593 . 1 1 51 51 THR CA C 13 67.70 0.05 . 1 . . . . . . . . 4146 1 594 . 1 1 51 51 THR CB C 13 68.71 0.05 . 1 . . . . . . . . 4146 1 595 . 1 1 51 51 THR CG2 C 13 21.80 0.05 . 1 . . . . . . . . 4146 1 596 . 1 1 51 51 THR N N 15 114.62 0.05 . 1 . . . . . . . . 4146 1 597 . 1 1 52 52 GLN H H 1 8.22 0.02 . 1 . . . . . . . . 4146 1 598 . 1 1 52 52 GLN HA H 1 4.02 0.02 . 1 . . . . . . . . 4146 1 599 . 1 1 52 52 GLN HB2 H 1 2.25 0.02 . 2 . . . . . . . . 4146 1 600 . 1 1 52 52 GLN HB3 H 1 2.35 0.02 . 2 . . . . . . . . 4146 1 601 . 1 1 52 52 GLN HG2 H 1 2.37 0.02 . 2 . . . . . . . . 4146 1 602 . 1 1 52 52 GLN HG3 H 1 2.52 0.02 . 2 . . . . . . . . 4146 1 603 . 1 1 52 52 GLN HE21 H 1 6.32 0.02 . 2 . . . . . . . . 4146 1 604 . 1 1 52 52 GLN HE22 H 1 6.85 0.02 . 2 . . . . . . . . 4146 1 605 . 1 1 52 52 GLN C C 13 177.30 0.05 . 1 . . . . . . . . 4146 1 606 . 1 1 52 52 GLN CA C 13 59.75 0.05 . 1 . . . . . . . . 4146 1 607 . 1 1 52 52 GLN CB C 13 28.74 0.05 . 1 . . . . . . . . 4146 1 608 . 1 1 52 52 GLN CG C 13 34.61 0.05 . 1 . . . . . . . . 4146 1 609 . 1 1 52 52 GLN N N 15 119.79 0.05 . 1 . . . . . . . . 4146 1 610 . 1 1 53 53 PHE H H 1 8.32 0.02 . 1 . . . . . . . . 4146 1 611 . 1 1 53 53 PHE HA H 1 4.16 0.02 . 1 . . . . . . . . 4146 1 612 . 1 1 53 53 PHE HB3 H 1 3.21 0.02 . 2 . . . . . . . . 4146 1 613 . 1 1 53 53 PHE HD1 H 1 7.02 0.02 . 3 . . . . . . . . 4146 1 614 . 1 1 53 53 PHE HD2 H 1 7.02 0.02 . 3 . . . . . . . . 4146 1 615 . 1 1 53 53 PHE HE1 H 1 7.20 0.02 . 3 . . . . . . . . 4146 1 616 . 1 1 53 53 PHE HE2 H 1 7.20 0.02 . 3 . . . . . . . . 4146 1 617 . 1 1 53 53 PHE HZ H 1 7.21 0.02 . 1 . . . . . . . . 4146 1 618 . 1 1 53 53 PHE C C 13 176.63 0.05 . 1 . . . . . . . . 4146 1 619 . 1 1 53 53 PHE CA C 13 61.67 0.05 . 1 . . . . . . . . 4146 1 620 . 1 1 53 53 PHE CB C 13 39.08 0.05 . 1 . . . . . . . . 4146 1 621 . 1 1 53 53 PHE CD1 C 13 131.50 0.05 . 3 . . . . . . . . 4146 1 622 . 1 1 53 53 PHE CD2 C 13 131.50 0.05 . 3 . . . . . . . . 4146 1 623 . 1 1 53 53 PHE CE1 C 13 131.02 0.05 . 3 . . . . . . . . 4146 1 624 . 1 1 53 53 PHE CE2 C 13 131.02 0.05 . 3 . . . . . . . . 4146 1 625 . 1 1 53 53 PHE CZ C 13 129.26 0.05 . 1 . . . . . . . . 4146 1 626 . 1 1 53 53 PHE N N 15 118.38 0.05 . 1 . . . . . . . . 4146 1 627 . 1 1 54 54 PHE H H 1 8.10 0.02 . 1 . . . . . . . . 4146 1 628 . 1 1 54 54 PHE HA H 1 4.18 0.02 . 1 . . . . . . . . 4146 1 629 . 1 1 54 54 PHE HB2 H 1 3.21 0.02 . 2 . . . . . . . . 4146 1 630 . 1 1 54 54 PHE HB3 H 1 3.32 0.02 . 2 . . . . . . . . 4146 1 631 . 1 1 54 54 PHE HD1 H 1 7.37 0.02 . 3 . . . . . . . . 4146 1 632 . 1 1 54 54 PHE HD2 H 1 7.37 0.02 . 3 . . . . . . . . 4146 1 633 . 1 1 54 54 PHE HE1 H 1 7.34 0.02 . 3 . . . . . . . . 4146 1 634 . 1 1 54 54 PHE HE2 H 1 7.34 0.02 . 3 . . . . . . . . 4146 1 635 . 1 1 54 54 PHE HZ H 1 7.28 0.02 . 1 . . . . . . . . 4146 1 636 . 1 1 54 54 PHE C C 13 178.01 0.05 . 1 . . . . . . . . 4146 1 637 . 1 1 54 54 PHE CA C 13 61.63 0.05 . 1 . . . . . . . . 4146 1 638 . 1 1 54 54 PHE CB C 13 39.13 0.05 . 1 . . . . . . . . 4146 1 639 . 1 1 54 54 PHE CD1 C 13 131.73 0.05 . 3 . . . . . . . . 4146 1 640 . 1 1 54 54 PHE CD2 C 13 131.73 0.05 . 3 . . . . . . . . 4146 1 641 . 1 1 54 54 PHE CE1 C 13 130.91 0.05 . 3 . . . . . . . . 4146 1 642 . 1 1 54 54 PHE CE2 C 13 130.91 0.05 . 3 . . . . . . . . 4146 1 643 . 1 1 54 54 PHE CZ C 13 129.38 0.05 . 1 . . . . . . . . 4146 1 644 . 1 1 54 54 PHE N N 15 117.63 0.05 . 1 . . . . . . . . 4146 1 645 . 1 1 55 55 ILE H H 1 8.16 0.02 . 1 . . . . . . . . 4146 1 646 . 1 1 55 55 ILE HA H 1 3.75 0.02 . 1 . . . . . . . . 4146 1 647 . 1 1 55 55 ILE HB H 1 2.04 0.02 . 1 . . . . . . . . 4146 1 648 . 1 1 55 55 ILE HG12 H 1 1.16 0.02 . 1 . . . . . . . . 4146 1 649 . 1 1 55 55 ILE HG13 H 1 1.80 0.02 . 1 . . . . . . . . 4146 1 650 . 1 1 55 55 ILE HG21 H 1 0.95 0.02 . 1 . . . . . . . . 4146 1 651 . 1 1 55 55 ILE HG22 H 1 0.95 0.02 . 1 . . . . . . . . 4146 1 652 . 1 1 55 55 ILE HG23 H 1 0.95 0.02 . 1 . . . . . . . . 4146 1 653 . 1 1 55 55 ILE HD11 H 1 0.99 0.02 . 1 . . . . . . . . 4146 1 654 . 1 1 55 55 ILE HD12 H 1 0.99 0.02 . 1 . . . . . . . . 4146 1 655 . 1 1 55 55 ILE HD13 H 1 0.99 0.02 . 1 . . . . . . . . 4146 1 656 . 1 1 55 55 ILE C C 13 177.82 0.05 . 1 . . . . . . . . 4146 1 657 . 1 1 55 55 ILE CA C 13 65.29 0.05 . 1 . . . . . . . . 4146 1 658 . 1 1 55 55 ILE CB C 13 37.81 0.05 . 1 . . . . . . . . 4146 1 659 . 1 1 55 55 ILE CG1 C 13 29.24 0.05 . 1 . . . . . . . . 4146 1 660 . 1 1 55 55 ILE CG2 C 13 17.15 0.05 . 1 . . . . . . . . 4146 1 661 . 1 1 55 55 ILE CD1 C 13 13.18 0.05 . 1 . . . . . . . . 4146 1 662 . 1 1 55 55 ILE N N 15 119.52 0.05 . 1 . . . . . . . . 4146 1 663 . 1 1 56 56 VAL H H 1 8.18 0.02 . 1 . . . . . . . . 4146 1 664 . 1 1 56 56 VAL HA H 1 3.56 0.02 . 1 . . . . . . . . 4146 1 665 . 1 1 56 56 VAL HB H 1 2.10 0.02 . 1 . . . . . . . . 4146 1 666 . 1 1 56 56 VAL HG11 H 1 0.94 0.02 . 2 . . . . . . . . 4146 1 667 . 1 1 56 56 VAL HG12 H 1 0.94 0.02 . 2 . . . . . . . . 4146 1 668 . 1 1 56 56 VAL HG13 H 1 0.94 0.02 . 2 . . . . . . . . 4146 1 669 . 1 1 56 56 VAL HG21 H 1 1.09 0.02 . 2 . . . . . . . . 4146 1 670 . 1 1 56 56 VAL HG22 H 1 1.09 0.02 . 2 . . . . . . . . 4146 1 671 . 1 1 56 56 VAL HG23 H 1 1.09 0.02 . 2 . . . . . . . . 4146 1 672 . 1 1 56 56 VAL C C 13 177.59 0.05 . 1 . . . . . . . . 4146 1 673 . 1 1 56 56 VAL CA C 13 67.36 0.05 . 1 . . . . . . . . 4146 1 674 . 1 1 56 56 VAL CB C 13 31.46 0.05 . 1 . . . . . . . . 4146 1 675 . 1 1 56 56 VAL CG1 C 13 21.80 0.05 . 2 . . . . . . . . 4146 1 676 . 1 1 56 56 VAL CG2 C 13 23.53 0.05 . 2 . . . . . . . . 4146 1 677 . 1 1 56 56 VAL N N 15 118.82 0.05 . 1 . . . . . . . . 4146 1 678 . 1 1 57 57 MET H H 1 8.24 0.02 . 1 . . . . . . . . 4146 1 679 . 1 1 57 57 MET HA H 1 4.10 0.02 . 1 . . . . . . . . 4146 1 680 . 1 1 57 57 MET HB2 H 1 2.17 0.02 . 2 . . . . . . . . 4146 1 681 . 1 1 57 57 MET HB3 H 1 2.27 0.02 . 2 . . . . . . . . 4146 1 682 . 1 1 57 57 MET HG2 H 1 1.92 0.02 . 2 . . . . . . . . 4146 1 683 . 1 1 57 57 MET C C 13 178.31 0.05 . 1 . . . . . . . . 4146 1 684 . 1 1 57 57 MET CA C 13 58.02 0.05 . 1 . . . . . . . . 4146 1 685 . 1 1 57 57 MET CB C 13 32.57 0.05 . 1 . . . . . . . . 4146 1 686 . 1 1 57 57 MET CG C 13 31.61 0.05 . 1 . . . . . . . . 4146 1 687 . 1 1 57 57 MET N N 15 117.07 0.05 . 1 . . . . . . . . 4146 1 688 . 1 1 58 58 GLY H H 1 8.07 0.02 . 1 . . . . . . . . 4146 1 689 . 1 1 58 58 GLY HA2 H 1 3.79 0.02 . 2 . . . . . . . . 4146 1 690 . 1 1 58 58 GLY C C 13 175.35 0.05 . 1 . . . . . . . . 4146 1 691 . 1 1 58 58 GLY CA C 13 47.42 0.05 . 1 . . . . . . . . 4146 1 692 . 1 1 58 58 GLY N N 15 106.18 0.05 . 1 . . . . . . . . 4146 1 693 . 1 1 59 59 LEU H H 1 7.97 0.02 . 1 . . . . . . . . 4146 1 694 . 1 1 59 59 LEU HA H 1 4.13 0.02 . 1 . . . . . . . . 4146 1 695 . 1 1 59 59 LEU HB2 H 1 1.53 0.02 . 2 . . . . . . . . 4146 1 696 . 1 1 59 59 LEU HB3 H 1 2.04 0.02 . 2 . . . . . . . . 4146 1 697 . 1 1 59 59 LEU HG H 1 1.88 0.02 . 1 . . . . . . . . 4146 1 698 . 1 1 59 59 LEU C C 13 178.66 0.05 . 1 . . . . . . . . 4146 1 699 . 1 1 59 59 LEU CA C 13 58.04 0.05 . 1 . . . . . . . . 4146 1 700 . 1 1 59 59 LEU CB C 13 42.09 0.05 . 1 . . . . . . . . 4146 1 701 . 1 1 59 59 LEU CG C 13 27.30 0.05 . 1 . . . . . . . . 4146 1 702 . 1 1 59 59 LEU N N 15 121.41 0.05 . 1 . . . . . . . . 4146 1 703 . 1 1 60 60 VAL H H 1 8.24 0.02 . 1 . . . . . . . . 4146 1 704 . 1 1 60 60 VAL HA H 1 3.72 0.02 . 1 . . . . . . . . 4146 1 705 . 1 1 60 60 VAL HB H 1 2.23 0.02 . 1 . . . . . . . . 4146 1 706 . 1 1 60 60 VAL HG11 H 1 1.00 0.02 . 2 . . . . . . . . 4146 1 707 . 1 1 60 60 VAL HG12 H 1 1.00 0.02 . 2 . . . . . . . . 4146 1 708 . 1 1 60 60 VAL HG13 H 1 1.00 0.02 . 2 . . . . . . . . 4146 1 709 . 1 1 60 60 VAL HG21 H 1 1.08 0.02 . 2 . . . . . . . . 4146 1 710 . 1 1 60 60 VAL HG22 H 1 1.08 0.02 . 2 . . . . . . . . 4146 1 711 . 1 1 60 60 VAL HG23 H 1 1.08 0.02 . 2 . . . . . . . . 4146 1 712 . 1 1 60 60 VAL C C 13 177.95 0.05 . 1 . . . . . . . . 4146 1 713 . 1 1 60 60 VAL CA C 13 66.11 0.05 . 1 . . . . . . . . 4146 1 714 . 1 1 60 60 VAL CB C 13 31.78 0.05 . 1 . . . . . . . . 4146 1 715 . 1 1 60 60 VAL CG1 C 13 21.65 0.05 . 2 . . . . . . . . 4146 1 716 . 1 1 60 60 VAL CG2 C 13 22.86 0.05 . 2 . . . . . . . . 4146 1 717 . 1 1 60 60 VAL N N 15 117.15 0.05 . 1 . . . . . . . . 4146 1 718 . 1 1 61 61 ASP H H 1 8.16 0.02 . 1 . . . . . . . . 4146 1 719 . 1 1 61 61 ASP HA H 1 4.60 0.02 . 1 . . . . . . . . 4146 1 720 . 1 1 61 61 ASP HB2 H 1 2.84 0.02 . 1 . . . . . . . . 4146 1 721 . 1 1 61 61 ASP HB3 H 1 3.04 0.02 . 1 . . . . . . . . 4146 1 722 . 1 1 61 61 ASP C C 13 175.74 0.05 . 1 . . . . . . . . 4146 1 723 . 1 1 61 61 ASP CA C 13 54.80 0.05 . 1 . . . . . . . . 4146 1 724 . 1 1 61 61 ASP CB C 13 38.01 0.05 . 1 . . . . . . . . 4146 1 725 . 1 1 61 61 ASP N N 15 115.92 0.05 . 1 . . . . . . . . 4146 1 726 . 1 1 62 62 ALA H H 1 7.78 0.02 . 1 . . . . . . . . 4146 1 727 . 1 1 62 62 ALA HA H 1 4.31 0.02 . 1 . . . . . . . . 4146 1 728 . 1 1 62 62 ALA HB1 H 1 1.58 0.02 . 1 . . . . . . . . 4146 1 729 . 1 1 62 62 ALA HB2 H 1 1.58 0.02 . 1 . . . . . . . . 4146 1 730 . 1 1 62 62 ALA HB3 H 1 1.58 0.02 . 1 . . . . . . . . 4146 1 731 . 1 1 62 62 ALA C C 13 178.63 0.05 . 1 . . . . . . . . 4146 1 732 . 1 1 62 62 ALA CA C 13 54.04 0.05 . 1 . . . . . . . . 4146 1 733 . 1 1 62 62 ALA CB C 13 19.32 0.05 . 1 . . . . . . . . 4146 1 734 . 1 1 62 62 ALA N N 15 119.61 0.05 . 1 . . . . . . . . 4146 1 735 . 1 1 63 63 ILE H H 1 7.90 0.02 . 1 . . . . . . . . 4146 1 736 . 1 1 63 63 ILE HA H 1 3.86 0.02 . 1 . . . . . . . . 4146 1 737 . 1 1 63 63 ILE HB H 1 2.25 0.02 . 1 . . . . . . . . 4146 1 738 . 1 1 63 63 ILE HG12 H 1 1.27 0.02 . 1 . . . . . . . . 4146 1 739 . 1 1 63 63 ILE HG13 H 1 2.00 0.02 . 1 . . . . . . . . 4146 1 740 . 1 1 63 63 ILE HG21 H 1 0.96 0.02 . 1 . . . . . . . . 4146 1 741 . 1 1 63 63 ILE HG22 H 1 0.96 0.02 . 1 . . . . . . . . 4146 1 742 . 1 1 63 63 ILE HG23 H 1 0.96 0.02 . 1 . . . . . . . . 4146 1 743 . 1 1 63 63 ILE CA C 13 67.09 0.05 . 1 . . . . . . . . 4146 1 744 . 1 1 63 63 ILE CB C 13 35.50 0.05 . 1 . . . . . . . . 4146 1 745 . 1 1 63 63 ILE CG1 C 13 29.96 0.05 . 1 . . . . . . . . 4146 1 746 . 1 1 63 63 ILE CG2 C 13 17.59 0.05 . 1 . . . . . . . . 4146 1 747 . 1 1 63 63 ILE N N 15 117.24 0.05 . 1 . . . . . . . . 4146 1 748 . 1 1 64 64 PRO HA H 1 4.29 0.02 . 1 . . . . . . . . 4146 1 749 . 1 1 64 64 PRO HB2 H 1 1.89 0.02 . 1 . . . . . . . . 4146 1 750 . 1 1 64 64 PRO HB3 H 1 2.33 0.02 . 1 . . . . . . . . 4146 1 751 . 1 1 64 64 PRO HG2 H 1 1.95 0.02 . 1 . . . . . . . . 4146 1 752 . 1 1 64 64 PRO HG3 H 1 2.26 0.02 . 1 . . . . . . . . 4146 1 753 . 1 1 64 64 PRO HD2 H 1 3.67 0.02 . 1 . . . . . . . . 4146 1 754 . 1 1 64 64 PRO HD3 H 1 3.90 0.02 . 1 . . . . . . . . 4146 1 755 . 1 1 64 64 PRO C C 13 177.60 0.05 . 1 . . . . . . . . 4146 1 756 . 1 1 64 64 PRO CA C 13 66.11 0.05 . 1 . . . . . . . . 4146 1 757 . 1 1 64 64 PRO CB C 13 31.37 0.05 . 1 . . . . . . . . 4146 1 758 . 1 1 64 64 PRO CG C 13 28.65 0.05 . 1 . . . . . . . . 4146 1 759 . 1 1 64 64 PRO CD C 13 49.80 0.05 . 1 . . . . . . . . 4146 1 760 . 1 1 65 65 MET H H 1 7.22 0.02 . 1 . . . . . . . . 4146 1 761 . 1 1 65 65 MET HA H 1 4.17 0.02 . 1 . . . . . . . . 4146 1 762 . 1 1 65 65 MET HB2 H 1 2.18 0.02 . 2 . . . . . . . . 4146 1 763 . 1 1 65 65 MET HB3 H 1 2.30 0.02 . 2 . . . . . . . . 4146 1 764 . 1 1 65 65 MET HG2 H 1 2.60 0.02 . 2 . . . . . . . . 4146 1 765 . 1 1 65 65 MET HG3 H 1 2.76 0.02 . 2 . . . . . . . . 4146 1 766 . 1 1 65 65 MET C C 13 178.52 0.05 . 1 . . . . . . . . 4146 1 767 . 1 1 65 65 MET CA C 13 58.92 0.05 . 1 . . . . . . . . 4146 1 768 . 1 1 65 65 MET CB C 13 33.00 0.05 . 1 . . . . . . . . 4146 1 769 . 1 1 65 65 MET CG C 13 32.98 0.05 . 1 . . . . . . . . 4146 1 770 . 1 1 65 65 MET N N 15 113.41 0.05 . 1 . . . . . . . . 4146 1 771 . 1 1 66 66 ILE H H 1 8.22 0.02 . 1 . . . . . . . . 4146 1 772 . 1 1 66 66 ILE HA H 1 3.76 0.02 . 1 . . . . . . . . 4146 1 773 . 1 1 66 66 ILE HB H 1 2.04 0.02 . 1 . . . . . . . . 4146 1 774 . 1 1 66 66 ILE HG12 H 1 1.16 0.02 . 1 . . . . . . . . 4146 1 775 . 1 1 66 66 ILE HG13 H 1 1.81 0.02 . 1 . . . . . . . . 4146 1 776 . 1 1 66 66 ILE HG21 H 1 0.96 0.02 . 1 . . . . . . . . 4146 1 777 . 1 1 66 66 ILE HG22 H 1 0.96 0.02 . 1 . . . . . . . . 4146 1 778 . 1 1 66 66 ILE HG23 H 1 0.96 0.02 . 1 . . . . . . . . 4146 1 779 . 1 1 66 66 ILE HD11 H 1 0.87 0.02 . 1 . . . . . . . . 4146 1 780 . 1 1 66 66 ILE HD12 H 1 0.87 0.02 . 1 . . . . . . . . 4146 1 781 . 1 1 66 66 ILE HD13 H 1 0.87 0.02 . 1 . . . . . . . . 4146 1 782 . 1 1 66 66 ILE C C 13 177.47 0.05 . 1 . . . . . . . . 4146 1 783 . 1 1 66 66 ILE CA C 13 64.79 0.05 . 1 . . . . . . . . 4146 1 784 . 1 1 66 66 ILE CB C 13 37.64 0.05 . 1 . . . . . . . . 4146 1 785 . 1 1 66 66 ILE CG1 C 13 29.15 0.05 . 1 . . . . . . . . 4146 1 786 . 1 1 66 66 ILE CG2 C 13 17.55 0.05 . 1 . . . . . . . . 4146 1 787 . 1 1 66 66 ILE CD1 C 13 13.26 0.05 . 1 . . . . . . . . 4146 1 788 . 1 1 66 66 ILE N N 15 120.61 0.05 . 1 . . . . . . . . 4146 1 789 . 1 1 67 67 ALA H H 1 8.33 0.02 . 1 . . . . . . . . 4146 1 790 . 1 1 67 67 ALA HA H 1 4.05 0.02 . 1 . . . . . . . . 4146 1 791 . 1 1 67 67 ALA HB1 H 1 1.56 0.02 . 1 . . . . . . . . 4146 1 792 . 1 1 67 67 ALA HB2 H 1 1.56 0.02 . 1 . . . . . . . . 4146 1 793 . 1 1 67 67 ALA HB3 H 1 1.56 0.02 . 1 . . . . . . . . 4146 1 794 . 1 1 67 67 ALA C C 13 180.05 0.05 . 1 . . . . . . . . 4146 1 795 . 1 1 67 67 ALA CA C 13 55.80 0.05 . 1 . . . . . . . . 4146 1 796 . 1 1 67 67 ALA CB C 13 18.60 0.05 . 1 . . . . . . . . 4146 1 797 . 1 1 67 67 ALA N N 15 120.99 0.05 . 1 . . . . . . . . 4146 1 798 . 1 1 68 68 VAL H H 1 8.07 0.02 . 1 . . . . . . . . 4146 1 799 . 1 1 68 68 VAL HA H 1 3.77 0.02 . 1 . . . . . . . . 4146 1 800 . 1 1 68 68 VAL HB H 1 2.23 0.02 . 1 . . . . . . . . 4146 1 801 . 1 1 68 68 VAL HG11 H 1 1.02 0.02 . 2 . . . . . . . . 4146 1 802 . 1 1 68 68 VAL HG12 H 1 1.02 0.02 . 2 . . . . . . . . 4146 1 803 . 1 1 68 68 VAL HG13 H 1 1.02 0.02 . 2 . . . . . . . . 4146 1 804 . 1 1 68 68 VAL HG21 H 1 1.14 0.02 . 2 . . . . . . . . 4146 1 805 . 1 1 68 68 VAL HG22 H 1 1.14 0.02 . 2 . . . . . . . . 4146 1 806 . 1 1 68 68 VAL HG23 H 1 1.14 0.02 . 2 . . . . . . . . 4146 1 807 . 1 1 68 68 VAL C C 13 177.95 0.05 . 1 . . . . . . . . 4146 1 808 . 1 1 68 68 VAL CA C 13 66.56 0.05 . 1 . . . . . . . . 4146 1 809 . 1 1 68 68 VAL CB C 13 31.78 0.05 . 1 . . . . . . . . 4146 1 810 . 1 1 68 68 VAL CG1 C 13 21.63 0.05 . 2 . . . . . . . . 4146 1 811 . 1 1 68 68 VAL CG2 C 13 23.48 0.05 . 2 . . . . . . . . 4146 1 812 . 1 1 68 68 VAL N N 15 117.20 0.05 . 1 . . . . . . . . 4146 1 813 . 1 1 69 69 GLY H H 1 8.24 0.02 . 1 . . . . . . . . 4146 1 814 . 1 1 69 69 GLY HA2 H 1 3.86 0.02 . 2 . . . . . . . . 4146 1 815 . 1 1 69 69 GLY C C 13 175.63 0.05 . 1 . . . . . . . . 4146 1 816 . 1 1 69 69 GLY CA C 13 48.10 0.05 . 1 . . . . . . . . 4146 1 817 . 1 1 69 69 GLY N N 15 107.11 0.05 . 1 . . . . . . . . 4146 1 818 . 1 1 70 70 LEU H H 1 8.71 0.02 . 1 . . . . . . . . 4146 1 819 . 1 1 70 70 LEU HA H 1 4.27 0.02 . 1 . . . . . . . . 4146 1 820 . 1 1 70 70 LEU HB2 H 1 1.70 0.02 . 2 . . . . . . . . 4146 1 821 . 1 1 70 70 LEU HB3 H 1 1.86 0.02 . 2 . . . . . . . . 4146 1 822 . 1 1 70 70 LEU HG H 1 1.96 0.02 . 1 . . . . . . . . 4146 1 823 . 1 1 70 70 LEU HD11 H 1 0.91 0.02 . 2 . . . . . . . . 4146 1 824 . 1 1 70 70 LEU HD12 H 1 0.91 0.02 . 2 . . . . . . . . 4146 1 825 . 1 1 70 70 LEU HD13 H 1 0.91 0.02 . 2 . . . . . . . . 4146 1 826 . 1 1 70 70 LEU HD21 H 1 0.93 0.02 . 2 . . . . . . . . 4146 1 827 . 1 1 70 70 LEU HD22 H 1 0.93 0.02 . 2 . . . . . . . . 4146 1 828 . 1 1 70 70 LEU HD23 H 1 0.93 0.02 . 2 . . . . . . . . 4146 1 829 . 1 1 70 70 LEU C C 13 178.79 0.05 . 1 . . . . . . . . 4146 1 830 . 1 1 70 70 LEU CA C 13 57.95 0.05 . 1 . . . . . . . . 4146 1 831 . 1 1 70 70 LEU CB C 13 42.05 0.05 . 1 . . . . . . . . 4146 1 832 . 1 1 70 70 LEU CG C 13 27.14 0.05 . 1 . . . . . . . . 4146 1 833 . 1 1 70 70 LEU CD1 C 13 24.25 0.05 . 2 . . . . . . . . 4146 1 834 . 1 1 70 70 LEU CD2 C 13 25.18 0.05 . 2 . . . . . . . . 4146 1 835 . 1 1 70 70 LEU N N 15 121.57 0.05 . 1 . . . . . . . . 4146 1 836 . 1 1 71 71 GLY H H 1 8.24 0.02 . 1 . . . . . . . . 4146 1 837 . 1 1 71 71 GLY HA2 H 1 3.85 0.02 . 2 . . . . . . . . 4146 1 838 . 1 1 71 71 GLY C C 13 175.55 0.05 . 1 . . . . . . . . 4146 1 839 . 1 1 71 71 GLY CA C 13 47.89 0.05 . 1 . . . . . . . . 4146 1 840 . 1 1 71 71 GLY N N 15 106.11 0.05 . 1 . . . . . . . . 4146 1 841 . 1 1 72 72 LEU H H 1 8.41 0.02 . 1 . . . . . . . . 4146 1 842 . 1 1 72 72 LEU HA H 1 4.11 0.02 . 1 . . . . . . . . 4146 1 843 . 1 1 72 72 LEU HB2 H 1 1.91 0.02 . 2 . . . . . . . . 4146 1 844 . 1 1 72 72 LEU HB3 H 1 2.04 0.02 . 2 . . . . . . . . 4146 1 845 . 1 1 72 72 LEU HG H 1 1.92 0.02 . 1 . . . . . . . . 4146 1 846 . 1 1 72 72 LEU HD21 H 1 0.93 0.02 . 2 . . . . . . . . 4146 1 847 . 1 1 72 72 LEU HD22 H 1 0.93 0.02 . 2 . . . . . . . . 4146 1 848 . 1 1 72 72 LEU HD23 H 1 0.93 0.02 . 2 . . . . . . . . 4146 1 849 . 1 1 72 72 LEU C C 13 178.24 0.05 . 1 . . . . . . . . 4146 1 850 . 1 1 72 72 LEU CA C 13 58.02 0.05 . 1 . . . . . . . . 4146 1 851 . 1 1 72 72 LEU CB C 13 42.16 0.05 . 1 . . . . . . . . 4146 1 852 . 1 1 72 72 LEU CG C 13 26.99 0.05 . 1 . . . . . . . . 4146 1 853 . 1 1 72 72 LEU CD1 C 13 23.69 0.05 . 2 . . . . . . . . 4146 1 854 . 1 1 72 72 LEU CD2 C 13 25.96 0.05 . 2 . . . . . . . . 4146 1 855 . 1 1 72 72 LEU N N 15 121.16 0.05 . 1 . . . . . . . . 4146 1 856 . 1 1 73 73 TYR H H 1 8.13 0.02 . 1 . . . . . . . . 4146 1 857 . 1 1 73 73 TYR HA H 1 4.15 0.02 . 1 . . . . . . . . 4146 1 858 . 1 1 73 73 TYR HB2 H 1 3.22 0.02 . 2 . . . . . . . . 4146 1 859 . 1 1 73 73 TYR HB3 H 1 3.36 0.02 . 2 . . . . . . . . 4146 1 860 . 1 1 73 73 TYR HD1 H 1 7.05 0.02 . 3 . . . . . . . . 4146 1 861 . 1 1 73 73 TYR HD2 H 1 7.05 0.02 . 3 . . . . . . . . 4146 1 862 . 1 1 73 73 TYR HE1 H 1 6.73 0.02 . 3 . . . . . . . . 4146 1 863 . 1 1 73 73 TYR HE2 H 1 6.73 0.02 . 3 . . . . . . . . 4146 1 864 . 1 1 73 73 TYR C C 13 177.60 0.05 . 1 . . . . . . . . 4146 1 865 . 1 1 73 73 TYR CA C 13 62.24 0.05 . 1 . . . . . . . . 4146 1 866 . 1 1 73 73 TYR CB C 13 38.48 0.05 . 1 . . . . . . . . 4146 1 867 . 1 1 73 73 TYR CD1 C 13 132.79 0.05 . 3 . . . . . . . . 4146 1 868 . 1 1 73 73 TYR CD2 C 13 132.79 0.05 . 3 . . . . . . . . 4146 1 869 . 1 1 73 73 TYR CE1 C 13 117.82 0.05 . 3 . . . . . . . . 4146 1 870 . 1 1 73 73 TYR CE2 C 13 117.82 0.05 . 3 . . . . . . . . 4146 1 871 . 1 1 73 73 TYR N N 15 118.95 0.05 . 1 . . . . . . . . 4146 1 872 . 1 1 74 74 VAL H H 1 8.36 0.02 . 1 . . . . . . . . 4146 1 873 . 1 1 74 74 VAL HA H 1 3.52 0.02 . 1 . . . . . . . . 4146 1 874 . 1 1 74 74 VAL HB H 1 2.28 0.02 . 1 . . . . . . . . 4146 1 875 . 1 1 74 74 VAL HG11 H 1 0.99 0.02 . 2 . . . . . . . . 4146 1 876 . 1 1 74 74 VAL HG12 H 1 0.99 0.02 . 2 . . . . . . . . 4146 1 877 . 1 1 74 74 VAL HG13 H 1 0.99 0.02 . 2 . . . . . . . . 4146 1 878 . 1 1 74 74 VAL HG21 H 1 1.20 0.02 . 2 . . . . . . . . 4146 1 879 . 1 1 74 74 VAL HG22 H 1 1.20 0.02 . 2 . . . . . . . . 4146 1 880 . 1 1 74 74 VAL HG23 H 1 1.20 0.02 . 2 . . . . . . . . 4146 1 881 . 1 1 74 74 VAL C C 13 177.43 0.05 . 1 . . . . . . . . 4146 1 882 . 1 1 74 74 VAL CA C 13 66.85 0.05 . 1 . . . . . . . . 4146 1 883 . 1 1 74 74 VAL CB C 13 31.70 0.05 . 1 . . . . . . . . 4146 1 884 . 1 1 74 74 VAL CG1 C 13 21.87 0.05 . 2 . . . . . . . . 4146 1 885 . 1 1 74 74 VAL CG2 C 13 23.21 0.05 . 2 . . . . . . . . 4146 1 886 . 1 1 74 74 VAL N N 15 117.50 0.05 . 1 . . . . . . . . 4146 1 887 . 1 1 75 75 MET H H 1 8.05 0.02 . 1 . . . . . . . . 4146 1 888 . 1 1 75 75 MET HA H 1 4.00 0.02 . 1 . . . . . . . . 4146 1 889 . 1 1 75 75 MET HB2 H 1 2.00 0.02 . 2 . . . . . . . . 4146 1 890 . 1 1 75 75 MET HB3 H 1 2.16 0.02 . 2 . . . . . . . . 4146 1 891 . 1 1 75 75 MET HG2 H 1 2.38 0.02 . 2 . . . . . . . . 4146 1 892 . 1 1 75 75 MET HG3 H 1 2.58 0.02 . 2 . . . . . . . . 4146 1 893 . 1 1 75 75 MET C C 13 177.65 0.05 . 1 . . . . . . . . 4146 1 894 . 1 1 75 75 MET CA C 13 59.07 0.05 . 1 . . . . . . . . 4146 1 895 . 1 1 75 75 MET CB C 13 32.81 0.05 . 1 . . . . . . . . 4146 1 896 . 1 1 75 75 MET CG C 13 32.57 0.05 . 1 . . . . . . . . 4146 1 897 . 1 1 75 75 MET N N 15 117.00 0.05 . 1 . . . . . . . . 4146 1 898 . 1 1 76 76 PHE H H 1 8.13 0.02 . 1 . . . . . . . . 4146 1 899 . 1 1 76 76 PHE HA H 1 4.38 0.02 . 1 . . . . . . . . 4146 1 900 . 1 1 76 76 PHE HB2 H 1 3.10 0.02 . 2 . . . . . . . . 4146 1 901 . 1 1 76 76 PHE HB3 H 1 3.16 0.02 . 2 . . . . . . . . 4146 1 902 . 1 1 76 76 PHE HD1 H 1 7.30 0.02 . 3 . . . . . . . . 4146 1 903 . 1 1 76 76 PHE HD2 H 1 7.30 0.02 . 3 . . . . . . . . 4146 1 904 . 1 1 76 76 PHE HE1 H 1 7.24 0.02 . 3 . . . . . . . . 4146 1 905 . 1 1 76 76 PHE HE2 H 1 7.24 0.02 . 3 . . . . . . . . 4146 1 906 . 1 1 76 76 PHE HZ H 1 7.20 0.02 . 1 . . . . . . . . 4146 1 907 . 1 1 76 76 PHE CA C 13 60.05 0.05 . 1 . . . . . . . . 4146 1 908 . 1 1 76 76 PHE CB C 13 39.35 0.05 . 1 . . . . . . . . 4146 1 909 . 1 1 76 76 PHE CD1 C 13 131.64 0.05 . 3 . . . . . . . . 4146 1 910 . 1 1 76 76 PHE CD2 C 13 131.64 0.05 . 3 . . . . . . . . 4146 1 911 . 1 1 76 76 PHE CE1 C 13 130.67 0.05 . 3 . . . . . . . . 4146 1 912 . 1 1 76 76 PHE CE2 C 13 130.67 0.05 . 3 . . . . . . . . 4146 1 913 . 1 1 76 76 PHE CZ C 13 129.02 0.05 . 1 . . . . . . . . 4146 1 914 . 1 1 76 76 PHE N N 15 115.58 0.05 . 1 . . . . . . . . 4146 1 915 . 1 1 77 77 ALA H H 1 8.26 0.02 . 1 . . . . . . . . 4146 1 916 . 1 1 77 77 ALA HA H 1 4.13 0.02 . 1 . . . . . . . . 4146 1 917 . 1 1 77 77 ALA HB1 H 1 1.30 0.02 . 1 . . . . . . . . 4146 1 918 . 1 1 77 77 ALA HB2 H 1 1.30 0.02 . 1 . . . . . . . . 4146 1 919 . 1 1 77 77 ALA HB3 H 1 1.30 0.02 . 1 . . . . . . . . 4146 1 920 . 1 1 77 77 ALA C C 13 178.60 0.05 . 1 . . . . . . . . 4146 1 921 . 1 1 77 77 ALA CA C 13 54.52 0.05 . 1 . . . . . . . . 4146 1 922 . 1 1 77 77 ALA CB C 13 18.97 0.05 . 1 . . . . . . . . 4146 1 923 . 1 1 77 77 ALA N N 15 120.92 0.05 . 1 . . . . . . . . 4146 1 924 . 1 1 78 78 VAL H H 1 7.74 0.02 . 1 . . . . . . . . 4146 1 925 . 1 1 78 78 VAL HA H 1 4.12 0.02 . 1 . . . . . . . . 4146 1 926 . 1 1 78 78 VAL HB H 1 2.26 0.02 . 1 . . . . . . . . 4146 1 927 . 1 1 78 78 VAL HG11 H 1 0.97 0.02 . 2 . . . . . . . . 4146 1 928 . 1 1 78 78 VAL HG12 H 1 0.97 0.02 . 2 . . . . . . . . 4146 1 929 . 1 1 78 78 VAL HG13 H 1 0.97 0.02 . 2 . . . . . . . . 4146 1 930 . 1 1 78 78 VAL HG21 H 1 0.98 0.02 . 2 . . . . . . . . 4146 1 931 . 1 1 78 78 VAL HG22 H 1 0.98 0.02 . 2 . . . . . . . . 4146 1 932 . 1 1 78 78 VAL HG23 H 1 0.98 0.02 . 2 . . . . . . . . 4146 1 933 . 1 1 78 78 VAL C C 13 175.53 0.05 . 1 . . . . . . . . 4146 1 934 . 1 1 78 78 VAL CA C 13 62.72 0.05 . 1 . . . . . . . . 4146 1 935 . 1 1 78 78 VAL CB C 13 32.55 0.05 . 1 . . . . . . . . 4146 1 936 . 1 1 78 78 VAL CG1 C 13 21.37 0.05 . 2 . . . . . . . . 4146 1 937 . 1 1 78 78 VAL CG2 C 13 20.78 0.05 . 2 . . . . . . . . 4146 1 938 . 1 1 78 78 VAL N N 15 112.69 0.05 . 1 . . . . . . . . 4146 1 939 . 1 1 79 79 ALA H H 1 7.75 0.02 . 1 . . . . . . . . 4146 1 940 . 1 1 79 79 ALA HA H 1 4.28 0.02 . 1 . . . . . . . . 4146 1 941 . 1 1 79 79 ALA HB1 H 1 1.46 0.02 . 1 . . . . . . . . 4146 1 942 . 1 1 79 79 ALA HB2 H 1 1.46 0.02 . 1 . . . . . . . . 4146 1 943 . 1 1 79 79 ALA HB3 H 1 1.46 0.02 . 1 . . . . . . . . 4146 1 944 . 1 1 79 79 ALA CA C 13 51.79 0.05 . 1 . . . . . . . . 4146 1 945 . 1 1 79 79 ALA CB C 13 18.95 0.05 . 1 . . . . . . . . 4146 1 946 . 1 1 79 79 ALA N N 15 123.36 0.05 . 1 . . . . . . . . 4146 1 stop_ save_