data_16514 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16514 _Entry.Title ; NMR chemical shifts of soluble synaptobrevin (1-96) in buffer and in DPC micelle ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-09-23 _Entry.Accession_date 2009-09-23 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Jeffrey Ellena . F. . 16514 2 Binyong Liang . . . 16514 3 Maciej Wiktor . . . 16514 4 Alexander Stein . . . 16514 5 David Cafiso . S. . 16514 6 Reinhard Jahn . . . 16514 7 Lukas Tamm . K. . 16514 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 16514 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 543 16514 '15N chemical shifts' 174 16514 '1H chemical shifts' 174 16514 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 . . 2010-01-20 2009-09-23 update BMRB 'complete entry citation' 16514 1 . . 2009-11-20 2009-09-23 original author 'original release' 16514 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16514 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19918058 _Citation.Full_citation . _Citation.Title 'Dynamic structure of lipid-bound synaptobrevin suggests a nucleation-propagation mechanism for trans-SNARE complex formation.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume 106 _Citation.Journal_issue 48 _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 20306 _Citation.Page_last 20311 _Citation.Year 2009 _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 Jeffrey Ellena . F. . 16514 1 2 Binyong Liang . . . 16514 1 3 Maciej Wiktor . . . 16514 1 4 Alexander Stein . . . 16514 1 5 David Cafiso . S. . 16514 1 6 Reinhard Jahn . . . 16514 1 7 Lukas Tamm . K. . 16514 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16514 _Assembly.ID 1 _Assembly.Name syb96 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _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 syb96 1 $syb96 A . yes native no no . . . 16514 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_syb96 _Entity.Sf_category entity _Entity.Sf_framecode syb96 _Entity.Entry_ID 16514 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name syb96 _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 ; MSATAATVPPAAPAGEGGPP APPPNLTSNRRLQQTQAQVD EVVDIMRVNVDKVLERDQKL SELDDRADALQAGASQFETS AAKLKRKYWWKNLKMM ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 96 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 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 16508 . synaptobrevin . . . . . 100.00 116 100.00 100.00 4.05e-62 . . . . 16514 1 2 no BMRB 4272 . synaptobrevinII . . . . . 100.00 96 98.96 98.96 6.81e-61 . . . . 16514 1 3 no PDB 1KIL . "Three-Dimensional Structure Of The ComplexinSNARE COMPLEX" . . . . . 67.71 66 100.00 100.00 1.06e-37 . . . . 16514 1 4 no PDB 1N7S . "High Resolution Structure Of A Truncated Neuronal Snare Complex" . . . . . 64.58 63 100.00 100.00 8.37e-35 . . . . 16514 1 5 no PDB 1SFC . "Neuronal Synaptic Fusion Complex" . . . . . 100.00 96 100.00 100.00 1.37e-61 . . . . 16514 1 6 no PDB 2KOG . "Lipid-Bound Synaptobrevin Solution Nmr Structure" . . . . . 100.00 119 100.00 100.00 3.50e-62 . . . . 16514 1 7 no PDB 2N1T . "Dynamic Binding Mode Of A Synaptotagmin-1-snare Complex In Solution" . . . . . 71.88 69 100.00 100.00 7.16e-41 . . . . 16514 1 8 no PDB 3HD7 . "Helical Extension Of The Neuronal Snare Complex Into The Membrane, Spacegroup C 1 2 1" . . . . . 69.79 91 100.00 100.00 6.18e-40 . . . . 16514 1 9 no PDB 3IPD . "Helical Extension Of The Neuronal Snare Complex Into The Membrane, Spacegroup I 21 21 21" . . . . . 69.79 91 100.00 100.00 6.18e-40 . . . . 16514 1 10 no PDB 3J96 . "Structure Of 20s Supercomplex Determined By Single Particle Cryoelectron Microscopy (state I)" . . . . . 64.58 63 100.00 100.00 8.37e-35 . . . . 16514 1 11 no PDB 3J97 . "Structure Of 20s Supercomplex Determined By Single Particle Cryoelectron Microscopy (state Ii)" . . . . . 64.58 63 100.00 100.00 8.37e-35 . . . . 16514 1 12 no PDB 3J98 . "Structure Of 20s Supercomplex Determined By Single Particle Cryoelectron Microscopy (state Iiia)" . . . . . 64.58 63 100.00 100.00 8.37e-35 . . . . 16514 1 13 no PDB 3J99 . "Structure Of 20s Supercomplex Determined By Single Particle Cryoelectron Microscopy (state Iiib)" . . . . . 64.58 63 100.00 100.00 8.37e-35 . . . . 16514 1 14 no PDB 5CCG . "Structure Of The Ca2+-bound Synaptotagmin-1 Snare Complex (long Unit Cell Form)" . . . . . 64.58 63 100.00 100.00 8.37e-35 . . . . 16514 1 15 no PDB 5CCH . "Structure Of The Ca2+-bound Synaptotagmin-1 Snare Complex (short Unit Cell Form)" . . . . . 64.58 63 100.00 100.00 8.37e-35 . . . . 16514 1 16 no PDB 5CCI . "Structure Of The Mg2+-bound Synaptotagmin-1 Snare Complex (short Unit Cell Form)" . . . . . 64.58 63 100.00 100.00 8.37e-35 . . . . 16514 1 17 no DBJ BAC41125 . "unnamed protein product [Mus musculus]" . . . . . 100.00 116 100.00 100.00 4.05e-62 . . . . 16514 1 18 no DBJ BAE90084 . "unnamed protein product [Macaca fascicularis]" . . . . . 100.00 116 98.96 98.96 2.44e-61 . . . . 16514 1 19 no DBJ BAF82244 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 116 98.96 98.96 2.44e-61 . . . . 16514 1 20 no DBJ BAG73857 . "vesicle-associated membrane protein 2 [synthetic construct]" . . . . . 98.96 118 98.95 98.95 3.12e-60 . . . . 16514 1 21 no EMBL CAA12385 . "vesicle associated membrane protein 2 [Homo sapiens]" . . . . . 100.00 116 98.96 98.96 2.29e-61 . . . . 16514 1 22 no EMBL CAA53792 . "synaptobrevin [Bos taurus]" . . . . . 100.00 116 98.96 98.96 2.29e-61 . . . . 16514 1 23 no EMBL CAB43509 . "vesicle associated membrane protein 2B [Rattus norvegicus]" . . . . . 100.00 135 100.00 100.00 2.98e-61 . . . . 16514 1 24 no EMBL CDQ77958 . "unnamed protein product [Oncorhynchus mykiss]" . . . . . 75.00 124 97.22 97.22 2.39e-41 . . . . 16514 1 25 no GB AAA42321 . "vesicle associated membrane protein VAMP-2 [Rattus norvegicus]" . . . . . 100.00 116 100.00 100.00 4.05e-62 . . . . 16514 1 26 no GB AAA60604 . "synaptobrevin 2 (SYB2) [Homo sapiens]" . . . . . 100.00 116 98.96 98.96 2.29e-61 . . . . 16514 1 27 no GB AAB03463 . "VAMP-2 [Mus musculus]" . . . . . 100.00 116 100.00 100.00 4.05e-62 . . . . 16514 1 28 no GB AAB62931 . "vesicle associated membrane protein 2 [Mus musculus]" . . . . . 100.00 116 100.00 100.00 4.05e-62 . . . . 16514 1 29 no GB AAB88138 . "synaptobrevin [Xenopus laevis]" . . . . . 77.08 114 97.30 98.65 1.19e-43 . . . . 16514 1 30 no REF NP_001027992 . "vesicle-associated membrane protein 2 [Macaca mulatta]" . . . . . 100.00 116 98.96 98.96 2.44e-61 . . . . 16514 1 31 no REF NP_001034578 . "vesicle-associated membrane protein 3 [Gallus gallus]" . . . . . 70.83 104 97.06 97.06 9.60e-39 . . . . 16514 1 32 no REF NP_001080944 . "vesicle-associated membrane protein 2 [Xenopus laevis]" . . . . . 77.08 114 97.30 98.65 1.19e-43 . . . . 16514 1 33 no REF NP_001088233 . "vesicle-associated membrane protein 1 (synaptobrevin 1) [Xenopus laevis]" . . . . . 69.79 101 98.51 98.51 1.30e-38 . . . . 16514 1 34 no REF NP_001272142 . "uncharacterized protein LOC101864935 [Macaca fascicularis]" . . . . . 100.00 116 98.96 98.96 2.44e-61 . . . . 16514 1 35 no SP P47193 . "RecName: Full=Vesicle-associated membrane protein 2; Short=VAMP-2; AltName: Full=SYBII; AltName: Full=Synaptobrevin-2" . . . . . 77.08 114 97.30 98.65 1.19e-43 . . . . 16514 1 36 no SP P63026 . "RecName: Full=Vesicle-associated membrane protein 2; Short=VAMP-2; AltName: Full=Synaptobrevin-2" . . . . . 100.00 116 98.96 98.96 2.29e-61 . . . . 16514 1 37 no SP P63027 . "RecName: Full=Vesicle-associated membrane protein 2; Short=VAMP-2; AltName: Full=Synaptobrevin-2" . . . . . 100.00 116 98.96 98.96 2.44e-61 . . . . 16514 1 38 no SP P63044 . "RecName: Full=Vesicle-associated membrane protein 2; Short=VAMP-2; AltName: Full=Synaptobrevin-2" . . . . . 100.00 116 100.00 100.00 4.05e-62 . . . . 16514 1 39 no SP P63045 . "RecName: Full=Vesicle-associated membrane protein 2; Short=VAMP-2; AltName: Full=Synaptobrevin-2" . . . . . 100.00 116 100.00 100.00 4.05e-62 . . . . 16514 1 40 no TPG DAA18807 . "TPA: vesicle-associated membrane protein 2 [Bos taurus]" . . . . . 100.00 116 98.96 98.96 2.29e-61 . . . . 16514 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 . MET . 16514 1 2 . SER . 16514 1 3 . ALA . 16514 1 4 . THR . 16514 1 5 . ALA . 16514 1 6 . ALA . 16514 1 7 . THR . 16514 1 8 . VAL . 16514 1 9 . PRO . 16514 1 10 . PRO . 16514 1 11 . ALA . 16514 1 12 . ALA . 16514 1 13 . PRO . 16514 1 14 . ALA . 16514 1 15 . GLY . 16514 1 16 . GLU . 16514 1 17 . GLY . 16514 1 18 . GLY . 16514 1 19 . PRO . 16514 1 20 . PRO . 16514 1 21 . ALA . 16514 1 22 . PRO . 16514 1 23 . PRO . 16514 1 24 . PRO . 16514 1 25 . ASN . 16514 1 26 . LEU . 16514 1 27 . THR . 16514 1 28 . SER . 16514 1 29 . ASN . 16514 1 30 . ARG . 16514 1 31 . ARG . 16514 1 32 . LEU . 16514 1 33 . GLN . 16514 1 34 . GLN . 16514 1 35 . THR . 16514 1 36 . GLN . 16514 1 37 . ALA . 16514 1 38 . GLN . 16514 1 39 . VAL . 16514 1 40 . ASP . 16514 1 41 . GLU . 16514 1 42 . VAL . 16514 1 43 . VAL . 16514 1 44 . ASP . 16514 1 45 . ILE . 16514 1 46 . MET . 16514 1 47 . ARG . 16514 1 48 . VAL . 16514 1 49 . ASN . 16514 1 50 . VAL . 16514 1 51 . ASP . 16514 1 52 . LYS . 16514 1 53 . VAL . 16514 1 54 . LEU . 16514 1 55 . GLU . 16514 1 56 . ARG . 16514 1 57 . ASP . 16514 1 58 . GLN . 16514 1 59 . LYS . 16514 1 60 . LEU . 16514 1 61 . SER . 16514 1 62 . GLU . 16514 1 63 . LEU . 16514 1 64 . ASP . 16514 1 65 . ASP . 16514 1 66 . ARG . 16514 1 67 . ALA . 16514 1 68 . ASP . 16514 1 69 . ALA . 16514 1 70 . LEU . 16514 1 71 . GLN . 16514 1 72 . ALA . 16514 1 73 . GLY . 16514 1 74 . ALA . 16514 1 75 . SER . 16514 1 76 . GLN . 16514 1 77 . PHE . 16514 1 78 . GLU . 16514 1 79 . THR . 16514 1 80 . SER . 16514 1 81 . ALA . 16514 1 82 . ALA . 16514 1 83 . LYS . 16514 1 84 . LEU . 16514 1 85 . LYS . 16514 1 86 . ARG . 16514 1 87 . LYS . 16514 1 88 . TYR . 16514 1 89 . TRP . 16514 1 90 . TRP . 16514 1 91 . LYS . 16514 1 92 . ASN . 16514 1 93 . LEU . 16514 1 94 . LYS . 16514 1 95 . MET . 16514 1 96 . MET . 16514 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 16514 1 . SER 2 2 16514 1 . ALA 3 3 16514 1 . THR 4 4 16514 1 . ALA 5 5 16514 1 . ALA 6 6 16514 1 . THR 7 7 16514 1 . VAL 8 8 16514 1 . PRO 9 9 16514 1 . PRO 10 10 16514 1 . ALA 11 11 16514 1 . ALA 12 12 16514 1 . PRO 13 13 16514 1 . ALA 14 14 16514 1 . GLY 15 15 16514 1 . GLU 16 16 16514 1 . GLY 17 17 16514 1 . GLY 18 18 16514 1 . PRO 19 19 16514 1 . PRO 20 20 16514 1 . ALA 21 21 16514 1 . PRO 22 22 16514 1 . PRO 23 23 16514 1 . PRO 24 24 16514 1 . ASN 25 25 16514 1 . LEU 26 26 16514 1 . THR 27 27 16514 1 . SER 28 28 16514 1 . ASN 29 29 16514 1 . ARG 30 30 16514 1 . ARG 31 31 16514 1 . LEU 32 32 16514 1 . GLN 33 33 16514 1 . GLN 34 34 16514 1 . THR 35 35 16514 1 . GLN 36 36 16514 1 . ALA 37 37 16514 1 . GLN 38 38 16514 1 . VAL 39 39 16514 1 . ASP 40 40 16514 1 . GLU 41 41 16514 1 . VAL 42 42 16514 1 . VAL 43 43 16514 1 . ASP 44 44 16514 1 . ILE 45 45 16514 1 . MET 46 46 16514 1 . ARG 47 47 16514 1 . VAL 48 48 16514 1 . ASN 49 49 16514 1 . VAL 50 50 16514 1 . ASP 51 51 16514 1 . LYS 52 52 16514 1 . VAL 53 53 16514 1 . LEU 54 54 16514 1 . GLU 55 55 16514 1 . ARG 56 56 16514 1 . ASP 57 57 16514 1 . GLN 58 58 16514 1 . LYS 59 59 16514 1 . LEU 60 60 16514 1 . SER 61 61 16514 1 . GLU 62 62 16514 1 . LEU 63 63 16514 1 . ASP 64 64 16514 1 . ASP 65 65 16514 1 . ARG 66 66 16514 1 . ALA 67 67 16514 1 . ASP 68 68 16514 1 . ALA 69 69 16514 1 . LEU 70 70 16514 1 . GLN 71 71 16514 1 . ALA 72 72 16514 1 . GLY 73 73 16514 1 . ALA 74 74 16514 1 . SER 75 75 16514 1 . GLN 76 76 16514 1 . PHE 77 77 16514 1 . GLU 78 78 16514 1 . THR 79 79 16514 1 . SER 80 80 16514 1 . ALA 81 81 16514 1 . ALA 82 82 16514 1 . LYS 83 83 16514 1 . LEU 84 84 16514 1 . LYS 85 85 16514 1 . ARG 86 86 16514 1 . LYS 87 87 16514 1 . TYR 88 88 16514 1 . TRP 89 89 16514 1 . TRP 90 90 16514 1 . LYS 91 91 16514 1 . ASN 92 92 16514 1 . LEU 93 93 16514 1 . LYS 94 94 16514 1 . MET 95 95 16514 1 . MET 96 96 16514 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 16514 _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 $syb96 . 10116 organism . 'Rattus norvegicus' 'Norway Rat' . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . . . . . . . . . 16514 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 16514 _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 $syb96 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET28a . . . . . . 16514 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16514 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 syb96 '[U-99% 13C; U-99% 15N]' . . 1 $syb96 . . 0.2 . . mM . . . . 16514 1 2 'potassium phosphate' 'natural abundance' . . . . . . 60 . . mM . . . . 16514 1 3 NaCl 'natural abundance' . . . . . . 300 . . mM . . . . 16514 1 4 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 16514 1 5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 16514 1 6 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16514 1 7 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16514 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16514 _Sample.ID 2 _Sample.Type micelle _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 syb96 '[U-99% 13C; U-99% 15N]' . . 1 $syb96 . . 0.5 . . mM . . . . 16514 2 2 DPC 'natural abundance' . . . . . . 300 . . mM . . . . 16514 2 3 'potassium phosphate' 'natural abundance' . . . . . . 60 . . mM . . . . 16514 2 4 NaCl 'natural abundance' . . . . . . 300 . . mM . . . . 16514 2 5 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 16514 2 6 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 16514 2 7 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16514 2 8 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16514 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16514 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 300 . mM 16514 1 pH 6.1 . pH 16514 1 pressure 1 . atm 16514 1 temperature 291 . K 16514 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 16514 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 300 . mM 16514 2 pH 6.1 . pH 16514 2 pressure 1 . atm 16514 2 temperature 318 . K 16514 2 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16514 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16514 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16514 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16514 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16514 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16514 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 16514 1 2 spectrometer_2 Bruker Avance . 800 . . . 16514 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 16514 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16514 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16514 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16514 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16514 1 5 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16514 1 6 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16514 1 7 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16514 1 8 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16514 1 9 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16514 1 10 '3D HN(CA)CO' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16514 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16514 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 16514 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16514 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16514 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16514 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '3D HNCO' . . . 16514 1 3 '3D HNCA' . . . 16514 1 4 '3D HNCACB' . . . 16514 1 5 '3D HN(CA)CO' . . . 16514 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 MET H H 1 8.447 0.001 . 1 . . . . 1 M H . 16514 1 2 . 1 1 1 1 MET C C 13 176.098 0.000 . 1 . . . . 1 M C . 16514 1 3 . 1 1 1 1 MET CA C 13 55.556 0.034 . 1 . . . . 1 M CA . 16514 1 4 . 1 1 1 1 MET CB C 13 32.989 0.004 . 1 . . . . 1 M CB . 16514 1 5 . 1 1 1 1 MET N N 15 122.195 0.012 . 1 . . . . 1 M N . 16514 1 6 . 1 1 2 2 SER H H 1 8.411 0.001 . 1 . . . . 2 S H . 16514 1 7 . 1 1 2 2 SER C C 13 174.322 0.000 . 1 . . . . 2 S C . 16514 1 8 . 1 1 2 2 SER CA C 13 58.291 0.001 . 1 . . . . 2 S CA . 16514 1 9 . 1 1 2 2 SER CB C 13 63.881 0.005 . 1 . . . . 2 S CB . 16514 1 10 . 1 1 2 2 SER N N 15 117.702 0.009 . 1 . . . . 2 S N . 16514 1 11 . 1 1 3 3 ALA H H 1 8.475 0.001 . 1 . . . . 3 A H . 16514 1 12 . 1 1 3 3 ALA C C 13 177.956 0.000 . 1 . . . . 3 A C . 16514 1 13 . 1 1 3 3 ALA CA C 13 52.764 0.007 . 1 . . . . 3 A CA . 16514 1 14 . 1 1 3 3 ALA CB C 13 19.145 0.001 . 1 . . . . 3 A CB . 16514 1 15 . 1 1 3 3 ALA N N 15 126.483 0.007 . 1 . . . . 3 A N . 16514 1 16 . 1 1 4 4 THR H H 1 8.102 0.002 . 1 . . . . 4 T H . 16514 1 17 . 1 1 4 4 THR C C 13 174.323 0.000 . 1 . . . . 4 T C . 16514 1 18 . 1 1 4 4 THR CA C 13 61.748 0.013 . 1 . . . . 4 T CA . 16514 1 19 . 1 1 4 4 THR CB C 13 70.018 0.018 . 1 . . . . 4 T CB . 16514 1 20 . 1 1 4 4 THR N N 15 113.208 0.007 . 1 . . . . 4 T N . 16514 1 21 . 1 1 5 5 ALA H H 1 8.230 0.001 . 1 . . . . 5 A H . 16514 1 22 . 1 1 5 5 ALA C C 13 177.287 0.000 . 1 . . . . 5 A C . 16514 1 23 . 1 1 5 5 ALA CA C 13 52.464 0.000 . 1 . . . . 5 A CA . 16514 1 24 . 1 1 5 5 ALA CB C 13 19.184 0.000 . 1 . . . . 5 A CB . 16514 1 25 . 1 1 5 5 ALA N N 15 126.719 0.008 . 1 . . . . 5 A N . 16514 1 26 . 1 1 6 6 ALA H H 1 8.265 0.001 . 1 . . . . 6 A H . 16514 1 27 . 1 1 6 6 ALA C C 13 177.809 0.000 . 1 . . . . 6 A C . 16514 1 28 . 1 1 6 6 ALA CA C 13 52.419 0.002 . 1 . . . . 6 A CA . 16514 1 29 . 1 1 6 6 ALA CB C 13 19.175 0.001 . 1 . . . . 6 A CB . 16514 1 30 . 1 1 6 6 ALA N N 15 123.441 0.015 . 1 . . . . 6 A N . 16514 1 31 . 1 1 7 7 THR H H 1 8.135 0.001 . 1 . . . . 7 T H . 16514 1 32 . 1 1 7 7 THR C C 13 174.249 0.000 . 1 . . . . 7 T C . 16514 1 33 . 1 1 7 7 THR CA C 13 61.974 0.009 . 1 . . . . 7 T CA . 16514 1 34 . 1 1 7 7 THR CB C 13 70.040 0.034 . 1 . . . . 7 T CB . 16514 1 35 . 1 1 7 7 THR N N 15 114.272 0.054 . 1 . . . . 7 T N . 16514 1 36 . 1 1 8 8 VAL H H 1 8.188 0.010 . 1 . . . . 8 V H . 16514 1 37 . 1 1 8 8 VAL C C 13 173.920 0.000 . 1 . . . . 8 V C . 16514 1 38 . 1 1 8 8 VAL CA C 13 59.739 0.000 . 1 . . . . 8 V CA . 16514 1 39 . 1 1 8 8 VAL CB C 13 32.716 0.000 . 1 . . . . 8 V CB . 16514 1 40 . 1 1 8 8 VAL N N 15 124.681 0.094 . 1 . . . . 8 V N . 16514 1 41 . 1 1 10 10 PRO C C 13 176.488 0.000 . 1 . . . . 10 P C . 16514 1 42 . 1 1 10 10 PRO CA C 13 62.706 0.000 . 1 . . . . 10 P CA . 16514 1 43 . 1 1 10 10 PRO CB C 13 32.127 0.000 . 1 . . . . 10 P CB . 16514 1 44 . 1 1 11 11 ALA H H 1 8.311 0.000 . 1 . . . . 11 A H . 16514 1 45 . 1 1 11 11 ALA C C 13 177.091 0.009 . 1 . . . . 11 A C . 16514 1 46 . 1 1 11 11 ALA CA C 13 52.067 0.014 . 1 . . . . 11 A CA . 16514 1 47 . 1 1 11 11 ALA CB C 13 19.174 0.000 . 1 . . . . 11 A CB . 16514 1 48 . 1 1 11 11 ALA N N 15 124.536 0.043 . 1 . . . . 11 A N . 16514 1 49 . 1 1 12 12 ALA H H 1 8.285 0.008 . 1 . . . . 12 A H . 16514 1 50 . 1 1 12 12 ALA C C 13 175.455 0.000 . 1 . . . . 12 A C . 16514 1 51 . 1 1 12 12 ALA CA C 13 50.294 0.000 . 1 . . . . 12 A CA . 16514 1 52 . 1 1 12 12 ALA CB C 13 18.145 0.000 . 1 . . . . 12 A CB . 16514 1 53 . 1 1 12 12 ALA N N 15 124.901 0.025 . 1 . . . . 12 A N . 16514 1 54 . 1 1 13 13 PRO C C 13 176.741 0.000 . 1 . . . . 13 P C . 16514 1 55 . 1 1 13 13 PRO CA C 13 62.972 0.000 . 1 . . . . 13 P CA . 16514 1 56 . 1 1 13 13 PRO CB C 13 32.160 0.000 . 1 . . . . 13 P CB . 16514 1 57 . 1 1 14 14 ALA H H 1 8.473 0.001 . 1 . . . . 14 A H . 16514 1 58 . 1 1 14 14 ALA C C 13 178.395 0.000 . 1 . . . . 14 A C . 16514 1 59 . 1 1 14 14 ALA CA C 13 52.642 0.008 . 1 . . . . 14 A CA . 16514 1 60 . 1 1 14 14 ALA CB C 13 19.078 0.004 . 1 . . . . 14 A CB . 16514 1 61 . 1 1 14 14 ALA N N 15 124.754 0.006 . 1 . . . . 14 A N . 16514 1 62 . 1 1 15 15 GLY H H 1 8.371 0.001 . 1 . . . . 15 G H . 16514 1 63 . 1 1 15 15 GLY C C 13 174.274 0.000 . 1 . . . . 15 G C . 16514 1 64 . 1 1 15 15 GLY CA C 13 45.255 0.049 . 1 . . . . 15 G CA . 16514 1 65 . 1 1 15 15 GLY N N 15 108.357 0.010 . 1 . . . . 15 G N . 16514 1 66 . 1 1 16 16 GLU H H 1 8.313 0.002 . 1 . . . . 16 E H . 16514 1 67 . 1 1 16 16 GLU C C 13 177.050 0.000 . 1 . . . . 16 E C . 16514 1 68 . 1 1 16 16 GLU CA C 13 56.558 0.004 . 1 . . . . 16 E CA . 16514 1 69 . 1 1 16 16 GLU CB C 13 30.298 0.008 . 1 . . . . 16 E CB . 16514 1 70 . 1 1 16 16 GLU N N 15 120.615 0.009 . 1 . . . . 16 E N . 16514 1 71 . 1 1 17 17 GLY H H 1 8.521 0.001 . 1 . . . . 17 G H . 16514 1 72 . 1 1 17 17 GLY C C 13 174.312 0.011 . 1 . . . . 17 G C . 16514 1 73 . 1 1 17 17 GLY CA C 13 45.256 0.047 . 1 . . . . 17 G CA . 16514 1 74 . 1 1 17 17 GLY N N 15 110.132 0.007 . 1 . . . . 17 G N . 16514 1 75 . 1 1 18 18 GLY H H 1 8.097 0.002 . 1 . . . . 18 G H . 16514 1 76 . 1 1 18 18 GLY C C 13 171.147 0.000 . 1 . . . . 18 G C . 16514 1 77 . 1 1 18 18 GLY CA C 13 44.416 0.110 . 1 . . . . 18 G CA . 16514 1 78 . 1 1 18 18 GLY N N 15 108.988 0.040 . 1 . . . . 18 G N . 16514 1 79 . 1 1 20 20 PRO C C 13 176.285 0.013 . 1 . . . . 20 P C . 16514 1 80 . 1 1 20 20 PRO CA C 13 62.722 0.000 . 1 . . . . 20 P CA . 16514 1 81 . 1 1 20 20 PRO CB C 13 32.018 0.000 . 1 . . . . 20 P CB . 16514 1 82 . 1 1 21 21 ALA H H 1 8.358 0.008 . 1 . . . . 21 A H . 16514 1 83 . 1 1 21 21 ALA C C 13 175.007 0.000 . 1 . . . . 21 A C . 16514 1 84 . 1 1 21 21 ALA CA C 13 50.249 0.000 . 1 . . . . 21 A CA . 16514 1 85 . 1 1 21 21 ALA CB C 13 18.040 0.000 . 1 . . . . 21 A CB . 16514 1 86 . 1 1 21 21 ALA N N 15 125.649 0.032 . 1 . . . . 21 A N . 16514 1 87 . 1 1 24 24 PRO C C 13 176.551 0.000 . 1 . . . . 24 P C . 16514 1 88 . 1 1 24 24 PRO CA C 13 63.109 0.000 . 1 . . . . 24 P CA . 16514 1 89 . 1 1 24 24 PRO CB C 13 32.072 0.000 . 1 . . . . 24 P CB . 16514 1 90 . 1 1 25 25 ASN H H 1 8.467 0.001 . 1 . . . . 25 N H . 16514 1 91 . 1 1 25 25 ASN C C 13 175.287 0.000 . 1 . . . . 25 N C . 16514 1 92 . 1 1 25 25 ASN CA C 13 53.109 0.011 . 1 . . . . 25 N CA . 16514 1 93 . 1 1 25 25 ASN CB C 13 38.572 0.009 . 1 . . . . 25 N CB . 16514 1 94 . 1 1 25 25 ASN N N 15 118.178 0.004 . 1 . . . . 25 N N . 16514 1 95 . 1 1 26 26 LEU H H 1 8.274 0.001 . 1 . . . . 26 L H . 16514 1 96 . 1 1 26 26 LEU C C 13 177.742 0.000 . 1 . . . . 26 L C . 16514 1 97 . 1 1 26 26 LEU CA C 13 55.410 0.003 . 1 . . . . 26 L CA . 16514 1 98 . 1 1 26 26 LEU CB C 13 42.295 0.002 . 1 . . . . 26 L CB . 16514 1 99 . 1 1 26 26 LEU N N 15 122.942 0.019 . 1 . . . . 26 L N . 16514 1 100 . 1 1 27 27 THR H H 1 8.130 0.002 . 1 . . . . 27 T H . 16514 1 101 . 1 1 27 27 THR C C 13 174.807 0.000 . 1 . . . . 27 T C . 16514 1 102 . 1 1 27 27 THR CA C 13 62.157 0.033 . 1 . . . . 27 T CA . 16514 1 103 . 1 1 27 27 THR CB C 13 69.868 0.025 . 1 . . . . 27 T CB . 16514 1 104 . 1 1 27 27 THR N N 15 113.988 0.022 . 1 . . . . 27 T N . 16514 1 105 . 1 1 28 28 SER H H 1 8.246 0.001 . 1 . . . . 28 S H . 16514 1 106 . 1 1 28 28 SER C C 13 174.472 0.000 . 1 . . . . 28 S C . 16514 1 107 . 1 1 28 28 SER CA C 13 58.621 0.007 . 1 . . . . 28 S CA . 16514 1 108 . 1 1 28 28 SER CB C 13 63.692 0.004 . 1 . . . . 28 S CB . 16514 1 109 . 1 1 28 28 SER N N 15 117.579 0.027 . 1 . . . . 28 S N . 16514 1 110 . 1 1 29 29 ASN H H 1 8.418 0.001 . 1 . . . . 29 N H . 16514 1 111 . 1 1 29 29 ASN C C 13 175.407 0.000 . 1 . . . . 29 N C . 16514 1 112 . 1 1 29 29 ASN CA C 13 53.492 0.012 . 1 . . . . 29 N CA . 16514 1 113 . 1 1 29 29 ASN CB C 13 38.557 0.107 . 1 . . . . 29 N CB . 16514 1 114 . 1 1 29 29 ASN N N 15 120.846 0.005 . 1 . . . . 29 N N . 16514 1 115 . 1 1 30 30 ARG H H 1 8.230 0.002 . 1 . . . . 30 R H . 16514 1 116 . 1 1 30 30 ARG C C 13 176.487 0.000 . 1 . . . . 30 R C . 16514 1 117 . 1 1 30 30 ARG CA C 13 56.600 0.000 . 1 . . . . 30 R CA . 16514 1 118 . 1 1 30 30 ARG CB C 13 30.442 0.000 . 1 . . . . 30 R CB . 16514 1 119 . 1 1 30 30 ARG N N 15 121.346 0.017 . 1 . . . . 30 R N . 16514 1 120 . 1 1 31 31 ARG H H 1 8.280 0.001 . 1 . . . . 31 R H . 16514 1 121 . 1 1 31 31 ARG C C 13 176.590 0.000 . 1 . . . . 31 R C . 16514 1 122 . 1 1 31 31 ARG CA C 13 56.587 0.004 . 1 . . . . 31 R CA . 16514 1 123 . 1 1 31 31 ARG CB C 13 30.378 0.040 . 1 . . . . 31 R CB . 16514 1 124 . 1 1 31 31 ARG N N 15 121.598 0.023 . 1 . . . . 31 R N . 16514 1 125 . 1 1 32 32 LEU H H 1 8.182 0.001 . 1 . . . . 32 L H . 16514 1 126 . 1 1 32 32 LEU C C 13 177.478 0.000 . 1 . . . . 32 L C . 16514 1 127 . 1 1 32 32 LEU CA C 13 55.401 0.037 . 1 . . . . 32 L CA . 16514 1 128 . 1 1 32 32 LEU CB C 13 42.183 0.033 . 1 . . . . 32 L CB . 16514 1 129 . 1 1 32 32 LEU N N 15 122.758 0.029 . 1 . . . . 32 L N . 16514 1 130 . 1 1 33 33 GLN H H 1 8.288 0.001 . 1 . . . . 33 Q H . 16514 1 131 . 1 1 33 33 GLN C C 13 176.066 0.000 . 1 . . . . 33 Q C . 16514 1 132 . 1 1 33 33 GLN CA C 13 56.085 0.000 . 1 . . . . 33 Q CA . 16514 1 133 . 1 1 33 33 GLN CB C 13 29.368 0.000 . 1 . . . . 33 Q CB . 16514 1 134 . 1 1 33 33 GLN N N 15 120.674 0.017 . 1 . . . . 33 Q N . 16514 1 135 . 1 1 34 34 GLN H H 1 8.387 0.001 . 1 . . . . 34 Q H . 16514 1 136 . 1 1 34 34 GLN C C 13 176.277 0.000 . 1 . . . . 34 Q C . 16514 1 137 . 1 1 34 34 GLN CA C 13 56.100 0.002 . 1 . . . . 34 Q CA . 16514 1 138 . 1 1 34 34 GLN CB C 13 29.459 0.019 . 1 . . . . 34 Q CB . 16514 1 139 . 1 1 34 34 GLN N N 15 121.423 0.010 . 1 . . . . 34 Q N . 16514 1 140 . 1 1 35 35 THR H H 1 8.222 0.001 . 1 . . . . 35 T H . 16514 1 141 . 1 1 35 35 THR C C 13 174.571 0.000 . 1 . . . . 35 T C . 16514 1 142 . 1 1 35 35 THR CA C 13 62.128 0.009 . 1 . . . . 35 T CA . 16514 1 143 . 1 1 35 35 THR CB C 13 70.028 0.016 . 1 . . . . 35 T CB . 16514 1 144 . 1 1 35 35 THR N N 15 115.414 0.008 . 1 . . . . 35 T N . 16514 1 145 . 1 1 36 36 GLN H H 1 8.419 0.001 . 1 . . . . 36 Q H . 16514 1 146 . 1 1 36 36 GLN C C 13 175.594 0.000 . 1 . . . . 36 Q C . 16514 1 147 . 1 1 36 36 GLN CA C 13 55.895 0.006 . 1 . . . . 36 Q CA . 16514 1 148 . 1 1 36 36 GLN CB C 13 29.410 0.008 . 1 . . . . 36 Q CB . 16514 1 149 . 1 1 36 36 GLN N N 15 122.666 0.006 . 1 . . . . 36 Q N . 16514 1 150 . 1 1 37 37 ALA H H 1 8.316 0.002 . 1 . . . . 37 A H . 16514 1 151 . 1 1 37 37 ALA C C 13 177.665 0.000 . 1 . . . . 37 A C . 16514 1 152 . 1 1 37 37 ALA CA C 13 52.672 0.003 . 1 . . . . 37 A CA . 16514 1 153 . 1 1 37 37 ALA CB C 13 18.940 0.056 . 1 . . . . 37 A CB . 16514 1 154 . 1 1 37 37 ALA N N 15 125.113 0.033 . 1 . . . . 37 A N . 16514 1 155 . 1 1 38 38 GLN H H 1 8.319 0.001 . 1 . . . . 38 Q H . 16514 1 156 . 1 1 38 38 GLN C C 13 176.084 0.000 . 1 . . . . 38 Q C . 16514 1 157 . 1 1 38 38 GLN CA C 13 55.827 0.021 . 1 . . . . 38 Q CA . 16514 1 158 . 1 1 38 38 GLN CB C 13 29.362 0.018 . 1 . . . . 38 Q CB . 16514 1 159 . 1 1 38 38 GLN N N 15 119.966 0.013 . 1 . . . . 38 Q N . 16514 1 160 . 1 1 39 39 VAL H H 1 8.172 0.001 . 1 . . . . 39 V H . 16514 1 161 . 1 1 39 39 VAL C C 13 175.838 0.000 . 1 . . . . 39 V C . 16514 1 162 . 1 1 39 39 VAL CA C 13 62.398 0.003 . 1 . . . . 39 V CA . 16514 1 163 . 1 1 39 39 VAL CB C 13 32.916 0.022 . 1 . . . . 39 V CB . 16514 1 164 . 1 1 39 39 VAL N N 15 121.414 0.020 . 1 . . . . 39 V N . 16514 1 165 . 1 1 40 40 ASP H H 1 8.383 0.001 . 1 . . . . 40 D H . 16514 1 166 . 1 1 40 40 ASP C C 13 175.962 0.000 . 1 . . . . 40 D C . 16514 1 167 . 1 1 40 40 ASP CA C 13 54.494 0.000 . 1 . . . . 40 D CA . 16514 1 168 . 1 1 40 40 ASP CB C 13 41.200 0.000 . 1 . . . . 40 D CB . 16514 1 169 . 1 1 40 40 ASP N N 15 123.603 0.011 . 1 . . . . 40 D N . 16514 1 170 . 1 1 41 41 GLU H H 1 8.236 0.002 . 1 . . . . 41 E H . 16514 1 171 . 1 1 41 41 GLU C C 13 176.238 0.000 . 1 . . . . 41 E C . 16514 1 172 . 1 1 41 41 GLU CA C 13 56.610 0.000 . 1 . . . . 41 E CA . 16514 1 173 . 1 1 41 41 GLU CB C 13 30.468 0.004 . 1 . . . . 41 E CB . 16514 1 174 . 1 1 41 41 GLU N N 15 121.309 0.021 . 1 . . . . 41 E N . 16514 1 175 . 1 1 42 42 VAL H H 1 8.228 0.002 . 1 . . . . 42 V H . 16514 1 176 . 1 1 42 42 VAL C C 13 176.172 0.000 . 1 . . . . 42 V C . 16514 1 177 . 1 1 42 42 VAL CA C 13 62.633 0.000 . 1 . . . . 42 V CA . 16514 1 178 . 1 1 42 42 VAL CB C 13 32.511 0.000 . 1 . . . . 42 V CB . 16514 1 179 . 1 1 42 42 VAL N N 15 122.318 0.020 . 1 . . . . 42 V N . 16514 1 180 . 1 1 43 43 VAL H H 1 8.198 0.002 . 1 . . . . 43 V H . 16514 1 181 . 1 1 43 43 VAL C C 13 175.730 0.000 . 1 . . . . 43 V C . 16514 1 182 . 1 1 43 43 VAL CA C 13 62.378 0.041 . 1 . . . . 43 V CA . 16514 1 183 . 1 1 43 43 VAL CB C 13 32.814 0.052 . 1 . . . . 43 V CB . 16514 1 184 . 1 1 43 43 VAL N N 15 124.362 0.044 . 1 . . . . 43 V N . 16514 1 185 . 1 1 44 44 ASP H H 1 8.370 0.001 . 1 . . . . 44 D H . 16514 1 186 . 1 1 44 44 ASP C C 13 176.459 0.000 . 1 . . . . 44 D C . 16514 1 187 . 1 1 44 44 ASP CA C 13 54.189 0.006 . 1 . . . . 44 D CA . 16514 1 188 . 1 1 44 44 ASP CB C 13 41.253 0.084 . 1 . . . . 44 D CB . 16514 1 189 . 1 1 44 44 ASP N N 15 124.447 0.028 . 1 . . . . 44 D N . 16514 1 190 . 1 1 45 45 ILE H H 1 8.087 0.001 . 1 . . . . 45 I H . 16514 1 191 . 1 1 45 45 ILE C C 13 176.376 0.000 . 1 . . . . 45 I C . 16514 1 192 . 1 1 45 45 ILE CA C 13 61.780 0.005 . 1 . . . . 45 I CA . 16514 1 193 . 1 1 45 45 ILE CB C 13 38.853 0.111 . 1 . . . . 45 I CB . 16514 1 194 . 1 1 45 45 ILE N N 15 121.344 0.010 . 1 . . . . 45 I N . 16514 1 195 . 1 1 46 46 MET H H 1 8.342 0.000 . 1 . . . . 46 M H . 16514 1 196 . 1 1 46 46 MET C C 13 176.332 0.000 . 1 . . . . 46 M C . 16514 1 197 . 1 1 46 46 MET CA C 13 55.531 0.021 . 1 . . . . 46 M CA . 16514 1 198 . 1 1 46 46 MET CB C 13 32.024 0.012 . 1 . . . . 46 M CB . 16514 1 199 . 1 1 46 46 MET N N 15 122.341 0.042 . 1 . . . . 46 M N . 16514 1 200 . 1 1 47 47 ARG H H 1 8.106 0.003 . 1 . . . . 47 R H . 16514 1 201 . 1 1 47 47 ARG C C 13 176.131 0.000 . 1 . . . . 47 R C . 16514 1 202 . 1 1 47 47 ARG CA C 13 56.195 0.015 . 1 . . . . 47 R CA . 16514 1 203 . 1 1 47 47 ARG CB C 13 30.610 0.002 . 1 . . . . 47 R CB . 16514 1 204 . 1 1 47 47 ARG N N 15 122.040 0.050 . 1 . . . . 47 R N . 16514 1 205 . 1 1 48 48 VAL H H 1 8.059 0.002 . 1 . . . . 48 V H . 16514 1 206 . 1 1 48 48 VAL C C 13 175.777 0.000 . 1 . . . . 48 V C . 16514 1 207 . 1 1 48 48 VAL CA C 13 62.409 0.007 . 1 . . . . 48 V CA . 16514 1 208 . 1 1 48 48 VAL CB C 13 32.825 0.006 . 1 . . . . 48 V CB . 16514 1 209 . 1 1 48 48 VAL N N 15 120.740 0.017 . 1 . . . . 48 V N . 16514 1 210 . 1 1 49 49 ASN H H 1 8.518 0.001 . 1 . . . . 49 N H . 16514 1 211 . 1 1 49 49 ASN C C 13 175.320 0.000 . 1 . . . . 49 N C . 16514 1 212 . 1 1 49 49 ASN CA C 13 53.248 0.004 . 1 . . . . 49 N CA . 16514 1 213 . 1 1 49 49 ASN CB C 13 38.951 0.055 . 1 . . . . 49 N CB . 16514 1 214 . 1 1 49 49 ASN N N 15 122.485 0.002 . 1 . . . . 49 N N . 16514 1 215 . 1 1 50 50 VAL H H 1 8.103 0.001 . 1 . . . . 50 V H . 16514 1 216 . 1 1 50 50 VAL C C 13 175.845 0.000 . 1 . . . . 50 V C . 16514 1 217 . 1 1 50 50 VAL CA C 13 62.605 0.003 . 1 . . . . 50 V CA . 16514 1 218 . 1 1 50 50 VAL CB C 13 32.610 0.010 . 1 . . . . 50 V CB . 16514 1 219 . 1 1 50 50 VAL N N 15 120.390 0.030 . 1 . . . . 50 V N . 16514 1 220 . 1 1 51 51 ASP H H 1 8.332 0.001 . 1 . . . . 51 D H . 16514 1 221 . 1 1 51 51 ASP C C 13 176.262 0.000 . 1 . . . . 51 D C . 16514 1 222 . 1 1 51 51 ASP CA C 13 54.736 0.010 . 1 . . . . 51 D CA . 16514 1 223 . 1 1 51 51 ASP CB C 13 41.043 0.029 . 1 . . . . 51 D CB . 16514 1 224 . 1 1 51 51 ASP N N 15 123.120 0.012 . 1 . . . . 51 D N . 16514 1 225 . 1 1 52 52 LYS H H 1 8.106 0.002 . 1 . . . . 52 K H . 16514 1 226 . 1 1 52 52 LYS C C 13 176.688 0.000 . 1 . . . . 52 K C . 16514 1 227 . 1 1 52 52 LYS CA C 13 56.519 0.028 . 1 . . . . 52 K CA . 16514 1 228 . 1 1 52 52 LYS CB C 13 32.857 0.000 . 1 . . . . 52 K CB . 16514 1 229 . 1 1 52 52 LYS N N 15 121.544 0.061 . 1 . . . . 52 K N . 16514 1 230 . 1 1 53 53 VAL H H 1 8.098 0.002 . 1 . . . . 53 V H . 16514 1 231 . 1 1 53 53 VAL C C 13 176.325 0.000 . 1 . . . . 53 V C . 16514 1 232 . 1 1 53 53 VAL CA C 13 63.091 0.003 . 1 . . . . 53 V CA . 16514 1 233 . 1 1 53 53 VAL CB C 13 32.430 0.121 . 1 . . . . 53 V CB . 16514 1 234 . 1 1 53 53 VAL N N 15 121.956 0.040 . 1 . . . . 53 V N . 16514 1 235 . 1 1 54 54 LEU H H 1 8.271 0.001 . 1 . . . . 54 L H . 16514 1 236 . 1 1 54 54 LEU C C 13 177.581 0.000 . 1 . . . . 54 L C . 16514 1 237 . 1 1 54 54 LEU CA C 13 55.365 0.010 . 1 . . . . 54 L CA . 16514 1 238 . 1 1 54 54 LEU CB C 13 42.244 0.011 . 1 . . . . 54 L CB . 16514 1 239 . 1 1 54 54 LEU N N 15 125.350 0.009 . 1 . . . . 54 L N . 16514 1 240 . 1 1 55 55 GLU H H 1 8.315 0.003 . 1 . . . . 55 E H . 16514 1 241 . 1 1 55 55 GLU C C 13 176.732 0.000 . 1 . . . . 55 E C . 16514 1 242 . 1 1 55 55 GLU CA C 13 56.914 0.000 . 1 . . . . 55 E CA . 16514 1 243 . 1 1 55 55 GLU CB C 13 30.145 0.000 . 1 . . . . 55 E CB . 16514 1 244 . 1 1 55 55 GLU N N 15 121.696 0.024 . 1 . . . . 55 E N . 16514 1 245 . 1 1 56 56 ARG H H 1 8.238 0.002 . 1 . . . . 56 R H . 16514 1 246 . 1 1 56 56 ARG C C 13 176.299 0.000 . 1 . . . . 56 R C . 16514 1 247 . 1 1 56 56 ARG CA C 13 56.686 0.016 . 1 . . . . 56 R CA . 16514 1 248 . 1 1 56 56 ARG CB C 13 30.699 0.000 . 1 . . . . 56 R CB . 16514 1 249 . 1 1 56 56 ARG N N 15 121.346 0.032 . 1 . . . . 56 R N . 16514 1 250 . 1 1 57 57 ASP H H 1 8.338 0.001 . 1 . . . . 57 D H . 16514 1 251 . 1 1 57 57 ASP C C 13 176.613 0.000 . 1 . . . . 57 D C . 16514 1 252 . 1 1 57 57 ASP CA C 13 54.745 0.042 . 1 . . . . 57 D CA . 16514 1 253 . 1 1 57 57 ASP CB C 13 40.971 0.017 . 1 . . . . 57 D CB . 16514 1 254 . 1 1 57 57 ASP N N 15 120.918 0.051 . 1 . . . . 57 D N . 16514 1 255 . 1 1 58 58 GLN H H 1 8.252 0.002 . 1 . . . . 58 Q H . 16514 1 256 . 1 1 58 58 GLN C C 13 176.279 0.000 . 1 . . . . 58 Q C . 16514 1 257 . 1 1 58 58 GLN CA C 13 56.468 0.000 . 1 . . . . 58 Q CA . 16514 1 258 . 1 1 58 58 GLN CB C 13 29.604 0.009 . 1 . . . . 58 Q CB . 16514 1 259 . 1 1 58 58 GLN N N 15 121.336 0.063 . 1 . . . . 58 Q N . 16514 1 260 . 1 1 59 59 LYS H H 1 8.334 0.002 . 1 . . . . 59 K H . 16514 1 261 . 1 1 59 59 LYS C C 13 177.060 0.000 . 1 . . . . 59 K C . 16514 1 262 . 1 1 59 59 LYS CA C 13 56.676 0.001 . 1 . . . . 59 K CA . 16514 1 263 . 1 1 59 59 LYS CB C 13 32.553 0.022 . 1 . . . . 59 K CB . 16514 1 264 . 1 1 59 59 LYS N N 15 121.836 0.054 . 1 . . . . 59 K N . 16514 1 265 . 1 1 60 60 LEU H H 1 8.212 0.003 . 1 . . . . 60 L H . 16514 1 266 . 1 1 60 60 LEU C C 13 177.816 0.000 . 1 . . . . 60 L C . 16514 1 267 . 1 1 60 60 LEU CA C 13 55.648 0.001 . 1 . . . . 60 L CA . 16514 1 268 . 1 1 60 60 LEU CB C 13 42.078 0.005 . 1 . . . . 60 L CB . 16514 1 269 . 1 1 60 60 LEU N N 15 122.582 0.040 . 1 . . . . 60 L N . 16514 1 270 . 1 1 61 61 SER H H 1 8.247 0.001 . 1 . . . . 61 S H . 16514 1 271 . 1 1 61 61 SER C C 13 174.817 0.000 . 1 . . . . 61 S C . 16514 1 272 . 1 1 61 61 SER CA C 13 58.752 0.012 . 1 . . . . 61 S CA . 16514 1 273 . 1 1 61 61 SER CB C 13 63.811 0.009 . 1 . . . . 61 S CB . 16514 1 274 . 1 1 61 61 SER N N 15 115.972 0.004 . 1 . . . . 61 S N . 16514 1 275 . 1 1 62 62 GLU H H 1 8.345 0.002 . 1 . . . . 62 E H . 16514 1 276 . 1 1 62 62 GLU C C 13 176.612 0.000 . 1 . . . . 62 E C . 16514 1 277 . 1 1 62 62 GLU CA C 13 56.886 0.020 . 1 . . . . 62 E CA . 16514 1 278 . 1 1 62 62 GLU CB C 13 29.999 0.012 . 1 . . . . 62 E CB . 16514 1 279 . 1 1 62 62 GLU N N 15 122.376 0.022 . 1 . . . . 62 E N . 16514 1 280 . 1 1 63 63 LEU H H 1 8.040 0.001 . 1 . . . . 63 L H . 16514 1 281 . 1 1 63 63 LEU C C 13 177.203 0.000 . 1 . . . . 63 L C . 16514 1 282 . 1 1 63 63 LEU CA C 13 55.433 0.009 . 1 . . . . 63 L CA . 16514 1 283 . 1 1 63 63 LEU CB C 13 42.214 0.062 . 1 . . . . 63 L CB . 16514 1 284 . 1 1 63 63 LEU N N 15 121.543 0.010 . 1 . . . . 63 L N . 16514 1 285 . 1 1 64 64 ASP H H 1 8.157 0.003 . 1 . . . . 64 D H . 16514 1 286 . 1 1 64 64 ASP C C 13 176.025 0.000 . 1 . . . . 64 D C . 16514 1 287 . 1 1 64 64 ASP CA C 13 54.461 0.000 . 1 . . . . 64 D CA . 16514 1 288 . 1 1 64 64 ASP CB C 13 41.532 0.008 . 1 . . . . 64 D CB . 16514 1 289 . 1 1 64 64 ASP N N 15 120.989 0.031 . 1 . . . . 64 D N . 16514 1 290 . 1 1 65 65 ASP H H 1 8.249 0.003 . 1 . . . . 65 D H . 16514 1 291 . 1 1 65 65 ASP C C 13 176.637 0.000 . 1 . . . . 65 D C . 16514 1 292 . 1 1 65 65 ASP CA C 13 54.529 0.009 . 1 . . . . 65 D CA . 16514 1 293 . 1 1 65 65 ASP CB C 13 41.109 0.045 . 1 . . . . 65 D CB . 16514 1 294 . 1 1 65 65 ASP N N 15 121.358 0.016 . 1 . . . . 65 D N . 16514 1 295 . 1 1 66 66 ARG H H 1 8.177 0.002 . 1 . . . . 66 R H . 16514 1 296 . 1 1 66 66 ARG C C 13 176.696 0.000 . 1 . . . . 66 R C . 16514 1 297 . 1 1 66 66 ARG CA C 13 56.468 0.017 . 1 . . . . 66 R CA . 16514 1 298 . 1 1 66 66 ARG CB C 13 30.434 0.010 . 1 . . . . 66 R CB . 16514 1 299 . 1 1 66 66 ARG N N 15 120.725 0.014 . 1 . . . . 66 R N . 16514 1 300 . 1 1 67 67 ALA H H 1 8.230 0.001 . 1 . . . . 67 A H . 16514 1 301 . 1 1 67 67 ALA C C 13 178.091 0.000 . 1 . . . . 67 A C . 16514 1 302 . 1 1 67 67 ALA CA C 13 53.302 0.001 . 1 . . . . 67 A CA . 16514 1 303 . 1 1 67 67 ALA CB C 13 18.922 0.007 . 1 . . . . 67 A CB . 16514 1 304 . 1 1 67 67 ALA N N 15 124.155 0.010 . 1 . . . . 67 A N . 16514 1 305 . 1 1 68 68 ASP H H 1 8.244 0.001 . 1 . . . . 68 D H . 16514 1 306 . 1 1 68 68 ASP C C 13 176.545 0.000 . 1 . . . . 68 D C . 16514 1 307 . 1 1 68 68 ASP CA C 13 54.641 0.006 . 1 . . . . 68 D CA . 16514 1 308 . 1 1 68 68 ASP CB C 13 40.910 0.006 . 1 . . . . 68 D CB . 16514 1 309 . 1 1 68 68 ASP N N 15 118.791 0.016 . 1 . . . . 68 D N . 16514 1 310 . 1 1 69 69 ALA H H 1 8.057 0.002 . 1 . . . . 69 A H . 16514 1 311 . 1 1 69 69 ALA C C 13 178.281 0.000 . 1 . . . . 69 A C . 16514 1 312 . 1 1 69 69 ALA CA C 13 53.120 0.062 . 1 . . . . 69 A CA . 16514 1 313 . 1 1 69 69 ALA CB C 13 18.959 0.029 . 1 . . . . 69 A CB . 16514 1 314 . 1 1 69 69 ALA N N 15 123.608 0.008 . 1 . . . . 69 A N . 16514 1 315 . 1 1 70 70 LEU H H 1 8.099 0.001 . 1 . . . . 70 L H . 16514 1 316 . 1 1 70 70 LEU C C 13 177.844 0.000 . 1 . . . . 70 L C . 16514 1 317 . 1 1 70 70 LEU CA C 13 55.511 0.052 . 1 . . . . 70 L CA . 16514 1 318 . 1 1 70 70 LEU CB C 13 41.933 0.046 . 1 . . . . 70 L CB . 16514 1 319 . 1 1 70 70 LEU N N 15 120.026 0.044 . 1 . . . . 70 L N . 16514 1 320 . 1 1 71 71 GLN H H 1 8.129 0.002 . 1 . . . . 71 Q H . 16514 1 321 . 1 1 71 71 GLN C C 13 175.981 0.000 . 1 . . . . 71 Q C . 16514 1 322 . 1 1 71 71 GLN CA C 13 55.886 0.029 . 1 . . . . 71 Q CA . 16514 1 323 . 1 1 71 71 GLN CB C 13 29.180 0.005 . 1 . . . . 71 Q CB . 16514 1 324 . 1 1 71 71 GLN N N 15 120.286 0.013 . 1 . . . . 71 Q N . 16514 1 325 . 1 1 72 72 ALA H H 1 8.252 0.001 . 1 . . . . 72 A H . 16514 1 326 . 1 1 72 72 ALA C C 13 178.403 0.000 . 1 . . . . 72 A C . 16514 1 327 . 1 1 72 72 ALA CA C 13 53.007 0.010 . 1 . . . . 72 A CA . 16514 1 328 . 1 1 72 72 ALA CB C 13 18.998 0.016 . 1 . . . . 72 A CB . 16514 1 329 . 1 1 72 72 ALA N N 15 124.757 0.018 . 1 . . . . 72 A N . 16514 1 330 . 1 1 73 73 GLY H H 1 8.335 0.001 . 1 . . . . 73 G H . 16514 1 331 . 1 1 73 73 GLY C C 13 174.136 0.000 . 1 . . . . 73 G C . 16514 1 332 . 1 1 73 73 GLY CA C 13 45.387 0.047 . 1 . . . . 73 G CA . 16514 1 333 . 1 1 73 73 GLY N N 15 108.215 0.009 . 1 . . . . 73 G N . 16514 1 334 . 1 1 74 74 ALA H H 1 8.067 0.001 . 1 . . . . 74 A H . 16514 1 335 . 1 1 74 74 ALA C C 13 178.116 0.000 . 1 . . . . 74 A C . 16514 1 336 . 1 1 74 74 ALA CA C 13 52.764 0.038 . 1 . . . . 74 A CA . 16514 1 337 . 1 1 74 74 ALA CB C 13 19.230 0.057 . 1 . . . . 74 A CB . 16514 1 338 . 1 1 74 74 ALA N N 15 123.574 0.011 . 1 . . . . 74 A N . 16514 1 339 . 1 1 75 75 SER H H 1 8.347 0.001 . 1 . . . . 75 S H . 16514 1 340 . 1 1 75 75 SER C C 13 174.903 0.000 . 1 . . . . 75 S C . 16514 1 341 . 1 1 75 75 SER CA C 13 58.611 0.002 . 1 . . . . 75 S CA . 16514 1 342 . 1 1 75 75 SER CB C 13 63.819 0.035 . 1 . . . . 75 S CB . 16514 1 343 . 1 1 75 75 SER N N 15 115.004 0.004 . 1 . . . . 75 S N . 16514 1 344 . 1 1 76 76 GLN H H 1 8.365 0.001 . 1 . . . . 76 Q H . 16514 1 345 . 1 1 76 76 GLN C C 13 175.841 0.000 . 1 . . . . 76 Q C . 16514 1 346 . 1 1 76 76 GLN CA C 13 56.395 0.035 . 1 . . . . 76 Q CA . 16514 1 347 . 1 1 76 76 GLN CB C 13 29.055 0.026 . 1 . . . . 76 Q CB . 16514 1 348 . 1 1 76 76 GLN N N 15 121.834 0.023 . 1 . . . . 76 Q N . 16514 1 349 . 1 1 77 77 PHE H H 1 8.098 0.001 . 1 . . . . 77 F H . 16514 1 350 . 1 1 77 77 PHE C C 13 175.812 0.000 . 1 . . . . 77 F C . 16514 1 351 . 1 1 77 77 PHE CA C 13 57.971 0.015 . 1 . . . . 77 F CA . 16514 1 352 . 1 1 77 77 PHE CB C 13 39.546 0.006 . 1 . . . . 77 F CB . 16514 1 353 . 1 1 77 77 PHE N N 15 119.988 0.036 . 1 . . . . 77 F N . 16514 1 354 . 1 1 78 78 GLU H H 1 8.193 0.001 . 1 . . . . 78 E H . 16514 1 355 . 1 1 78 78 GLU C C 13 176.715 0.000 . 1 . . . . 78 E C . 16514 1 356 . 1 1 78 78 GLU CA C 13 56.709 0.005 . 1 . . . . 78 E CA . 16514 1 357 . 1 1 78 78 GLU CB C 13 30.433 0.034 . 1 . . . . 78 E CB . 16514 1 358 . 1 1 78 78 GLU N N 15 121.837 0.025 . 1 . . . . 78 E N . 16514 1 359 . 1 1 79 79 THR H H 1 8.148 0.001 . 1 . . . . 79 T H . 16514 1 360 . 1 1 79 79 THR C C 13 175.087 0.000 . 1 . . . . 79 T C . 16514 1 361 . 1 1 79 79 THR CA C 13 62.125 0.002 . 1 . . . . 79 T CA . 16514 1 362 . 1 1 79 79 THR CB C 13 70.132 0.019 . 1 . . . . 79 T CB . 16514 1 363 . 1 1 79 79 THR N N 15 114.683 0.018 . 1 . . . . 79 T N . 16514 1 364 . 1 1 80 80 SER H H 1 8.452 0.001 . 1 . . . . 80 S H . 16514 1 365 . 1 1 80 80 SER C C 13 175.419 0.000 . 1 . . . . 80 S C . 16514 1 366 . 1 1 80 80 SER CA C 13 59.605 0.014 . 1 . . . . 80 S CA . 16514 1 367 . 1 1 80 80 SER CB C 13 63.494 0.010 . 1 . . . . 80 S CB . 16514 1 368 . 1 1 80 80 SER N N 15 117.835 0.007 . 1 . . . . 80 S N . 16514 1 369 . 1 1 81 81 ALA H H 1 8.308 0.003 . 1 . . . . 81 A H . 16514 1 370 . 1 1 81 81 ALA C C 13 178.741 0.000 . 1 . . . . 81 A C . 16514 1 371 . 1 1 81 81 ALA CA C 13 53.855 0.000 . 1 . . . . 81 A CA . 16514 1 372 . 1 1 81 81 ALA CB C 13 18.494 0.000 . 1 . . . . 81 A CB . 16514 1 373 . 1 1 81 81 ALA N N 15 125.216 0.033 . 1 . . . . 81 A N . 16514 1 374 . 1 1 82 82 ALA H H 1 8.019 0.001 . 1 . . . . 82 A H . 16514 1 375 . 1 1 82 82 ALA C C 13 179.072 0.000 . 1 . . . . 82 A C . 16514 1 376 . 1 1 82 82 ALA CA C 13 53.818 0.004 . 1 . . . . 82 A CA . 16514 1 377 . 1 1 82 82 ALA CB C 13 18.835 0.016 . 1 . . . . 82 A CB . 16514 1 378 . 1 1 82 82 ALA N N 15 121.714 0.004 . 1 . . . . 82 A N . 16514 1 379 . 1 1 83 83 LYS H H 1 7.964 0.000 . 1 . . . . 83 K H . 16514 1 380 . 1 1 83 83 LYS C C 13 177.646 0.000 . 1 . . . . 83 K C . 16514 1 381 . 1 1 83 83 LYS CA C 13 57.689 0.023 . 1 . . . . 83 K CA . 16514 1 382 . 1 1 83 83 LYS CB C 13 32.617 0.000 . 1 . . . . 83 K CB . 16514 1 383 . 1 1 83 83 LYS N N 15 118.916 0.069 . 1 . . . . 83 K N . 16514 1 384 . 1 1 84 84 LEU H H 1 7.897 0.000 . 1 . . . . 84 L H . 16514 1 385 . 1 1 84 84 LEU C C 13 177.862 0.000 . 1 . . . . 84 L C . 16514 1 386 . 1 1 84 84 LEU CA C 13 56.050 0.017 . 1 . . . . 84 L CA . 16514 1 387 . 1 1 84 84 LEU CB C 13 42.108 0.038 . 1 . . . . 84 L CB . 16514 1 388 . 1 1 84 84 LEU N N 15 121.005 0.006 . 1 . . . . 84 L N . 16514 1 389 . 1 1 85 85 LYS H H 1 7.950 0.002 . 1 . . . . 85 K H . 16514 1 390 . 1 1 85 85 LYS C C 13 177.076 0.000 . 1 . . . . 85 K C . 16514 1 391 . 1 1 85 85 LYS CA C 13 57.152 0.000 . 1 . . . . 85 K CA . 16514 1 392 . 1 1 85 85 LYS CB C 13 32.762 0.000 . 1 . . . . 85 K CB . 16514 1 393 . 1 1 85 85 LYS N N 15 120.404 0.016 . 1 . . . . 85 K N . 16514 1 394 . 1 1 86 86 ARG H H 1 7.928 0.001 . 1 . . . . 86 R H . 16514 1 395 . 1 1 86 86 ARG C C 13 176.541 0.000 . 1 . . . . 86 R C . 16514 1 396 . 1 1 86 86 ARG CA C 13 56.681 0.072 . 1 . . . . 86 R CA . 16514 1 397 . 1 1 86 86 ARG CB C 13 30.520 0.042 . 1 . . . . 86 R CB . 16514 1 398 . 1 1 86 86 ARG N N 15 120.349 0.006 . 1 . . . . 86 R N . 16514 1 399 . 1 1 87 87 LYS H H 1 7.984 0.001 . 1 . . . . 87 K H . 16514 1 400 . 1 1 87 87 LYS C C 13 176.898 0.000 . 1 . . . . 87 K C . 16514 1 401 . 1 1 87 87 LYS CA C 13 57.280 0.000 . 1 . . . . 87 K CA . 16514 1 402 . 1 1 87 87 LYS CB C 13 32.704 0.026 . 1 . . . . 87 K CB . 16514 1 403 . 1 1 87 87 LYS N N 15 121.013 0.012 . 1 . . . . 87 K N . 16514 1 404 . 1 1 88 88 TYR H H 1 8.000 0.002 . 1 . . . . 88 Y H . 16514 1 405 . 1 1 88 88 TYR C C 13 176.196 0.000 . 1 . . . . 88 Y C . 16514 1 406 . 1 1 88 88 TYR CA C 13 57.489 0.035 . 1 . . . . 88 Y CA . 16514 1 407 . 1 1 88 88 TYR CB C 13 37.672 0.022 . 1 . . . . 88 Y CB . 16514 1 408 . 1 1 88 88 TYR N N 15 118.706 0.025 . 1 . . . . 88 Y N . 16514 1 409 . 1 1 89 89 TRP H H 1 7.680 0.001 . 1 . . . . 89 W H . 16514 1 410 . 1 1 89 89 TRP C C 13 176.317 0.000 . 1 . . . . 89 W C . 16514 1 411 . 1 1 89 89 TRP CA C 13 58.065 0.000 . 1 . . . . 89 W CA . 16514 1 412 . 1 1 89 89 TRP CB C 13 29.048 0.000 . 1 . . . . 89 W CB . 16514 1 413 . 1 1 89 89 TRP N N 15 121.037 0.005 . 1 . . . . 89 W N . 16514 1 414 . 1 1 90 90 TRP H H 1 7.245 0.000 . 1 . . . . 90 W H . 16514 1 415 . 1 1 90 90 TRP C C 13 176.252 0.000 . 1 . . . . 90 W C . 16514 1 416 . 1 1 90 90 TRP CA C 13 57.663 0.044 . 1 . . . . 90 W CA . 16514 1 417 . 1 1 90 90 TRP CB C 13 28.627 0.069 . 1 . . . . 90 W CB . 16514 1 418 . 1 1 90 90 TRP N N 15 120.334 0.003 . 1 . . . . 90 W N . 16514 1 419 . 1 1 91 91 LYS H H 1 7.495 0.001 . 1 . . . . 91 K H . 16514 1 420 . 1 1 91 91 LYS C C 13 176.130 0.000 . 1 . . . . 91 K C . 16514 1 421 . 1 1 91 91 LYS CA C 13 56.949 0.001 . 1 . . . . 91 K CA . 16514 1 422 . 1 1 91 91 LYS CB C 13 32.689 0.019 . 1 . . . . 91 K CB . 16514 1 423 . 1 1 91 91 LYS N N 15 121.302 0.010 . 1 . . . . 91 K N . 16514 1 424 . 1 1 92 92 ASN H H 1 8.041 0.001 . 1 . . . . 92 N H . 16514 1 425 . 1 1 92 92 ASN C C 13 175.089 0.000 . 1 . . . . 92 N C . 16514 1 426 . 1 1 92 92 ASN CA C 13 53.342 0.014 . 1 . . . . 92 N CA . 16514 1 427 . 1 1 92 92 ASN CB C 13 38.809 0.071 . 1 . . . . 92 N CB . 16514 1 428 . 1 1 92 92 ASN N N 15 118.102 0.006 . 1 . . . . 92 N N . 16514 1 429 . 1 1 93 93 LEU H H 1 7.962 0.000 . 1 . . . . 93 L H . 16514 1 430 . 1 1 93 93 LEU C C 13 177.234 0.000 . 1 . . . . 93 L C . 16514 1 431 . 1 1 93 93 LEU CA C 13 55.544 0.008 . 1 . . . . 93 L CA . 16514 1 432 . 1 1 93 93 LEU CB C 13 42.433 0.023 . 1 . . . . 93 L CB . 16514 1 433 . 1 1 93 93 LEU N N 15 121.991 0.009 . 1 . . . . 93 L N . 16514 1 434 . 1 1 94 94 LYS H H 1 8.154 0.003 . 1 . . . . 94 K H . 16514 1 435 . 1 1 94 94 LYS C C 13 176.251 0.000 . 1 . . . . 94 K C . 16514 1 436 . 1 1 94 94 LYS CA C 13 56.377 0.044 . 1 . . . . 94 K CA . 16514 1 437 . 1 1 94 94 LYS CB C 13 32.754 0.000 . 1 . . . . 94 K CB . 16514 1 438 . 1 1 94 94 LYS N N 15 120.992 0.025 . 1 . . . . 94 K N . 16514 1 439 . 1 1 95 95 MET H H 1 8.207 0.001 . 1 . . . . 95 M H . 16514 1 440 . 1 1 95 95 MET C C 13 175.191 0.000 . 1 . . . . 95 M C . 16514 1 441 . 1 1 95 95 MET CA C 13 55.356 0.003 . 1 . . . . 95 M CA . 16514 1 442 . 1 1 95 95 MET CB C 13 32.841 0.016 . 1 . . . . 95 M CB . 16514 1 443 . 1 1 95 95 MET N N 15 121.593 0.010 . 1 . . . . 95 M N . 16514 1 444 . 1 1 96 96 MET H H 1 7.874 0.001 . 1 . . . . 96 M H . 16514 1 445 . 1 1 96 96 MET C C 13 180.700 0.000 . 1 . . . . 96 M C . 16514 1 446 . 1 1 96 96 MET CA C 13 57.026 0.000 . 1 . . . . 96 M CA . 16514 1 447 . 1 1 96 96 MET CB C 13 33.594 0.000 . 1 . . . . 96 M CB . 16514 1 448 . 1 1 96 96 MET N N 15 126.438 0.006 . 1 . . . . 96 M N . 16514 1 stop_ save_ save_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 16514 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 7 '3D HNCO' . . . 16514 2 8 '3D HNCA' . . . 16514 2 9 '3D HNCACB' . . . 16514 2 10 '3D HN(CA)CO' . . . 16514 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET C C 13 175.983 0.000 . 1 . . . . 1 M C . 16514 2 2 . 1 1 1 1 MET CA C 13 55.766 0.000 . 1 . . . . 1 M CA . 16514 2 3 . 1 1 1 1 MET CB C 13 33.095 0.000 . 1 . . . . 1 M CB . 16514 2 4 . 1 1 2 2 SER H H 1 8.247 0.004 . 1 . . . . 2 S H . 16514 2 5 . 1 1 2 2 SER C C 13 174.335 0.000 . 1 . . . . 2 S C . 16514 2 6 . 1 1 2 2 SER CA C 13 58.386 0.000 . 1 . . . . 2 S CA . 16514 2 7 . 1 1 2 2 SER CB C 13 63.957 0.035 . 1 . . . . 2 S CB . 16514 2 8 . 1 1 2 2 SER N N 15 116.921 0.029 . 1 . . . . 2 S N . 16514 2 9 . 1 1 3 3 ALA H H 1 8.333 0.002 . 1 . . . . 3 A H . 16514 2 10 . 1 1 3 3 ALA C C 13 177.885 0.009 . 1 . . . . 3 A C . 16514 2 11 . 1 1 3 3 ALA CA C 13 52.886 0.015 . 1 . . . . 3 A CA . 16514 2 12 . 1 1 3 3 ALA CB C 13 19.521 0.003 . 1 . . . . 3 A CB . 16514 2 13 . 1 1 3 3 ALA N N 15 125.992 0.015 . 1 . . . . 3 A N . 16514 2 14 . 1 1 4 4 THR H H 1 7.973 0.004 . 1 . . . . 4 T H . 16514 2 15 . 1 1 4 4 THR C C 13 174.351 0.001 . 1 . . . . 4 T C . 16514 2 16 . 1 1 4 4 THR CA C 13 61.926 0.017 . 1 . . . . 4 T CA . 16514 2 17 . 1 1 4 4 THR CB C 13 69.809 0.004 . 1 . . . . 4 T CB . 16514 2 18 . 1 1 4 4 THR N N 15 112.366 0.019 . 1 . . . . 4 T N . 16514 2 19 . 1 1 5 5 ALA H H 1 8.094 0.004 . 1 . . . . 5 A H . 16514 2 20 . 1 1 5 5 ALA C C 13 177.176 0.019 . 1 . . . . 5 A C . 16514 2 21 . 1 1 5 5 ALA CA C 13 52.542 0.000 . 1 . . . . 5 A CA . 16514 2 22 . 1 1 5 5 ALA CB C 13 19.515 0.000 . 1 . . . . 5 A CB . 16514 2 23 . 1 1 5 5 ALA N N 15 126.037 0.012 . 1 . . . . 5 A N . 16514 2 24 . 1 1 6 6 ALA H H 1 8.106 0.005 . 1 . . . . 6 A H . 16514 2 25 . 1 1 6 6 ALA C C 13 177.733 0.009 . 1 . . . . 6 A C . 16514 2 26 . 1 1 6 6 ALA CA C 13 52.523 0.015 . 1 . . . . 6 A CA . 16514 2 27 . 1 1 6 6 ALA CB C 13 19.511 0.018 . 1 . . . . 6 A CB . 16514 2 28 . 1 1 6 6 ALA N N 15 122.782 0.019 . 1 . . . . 6 A N . 16514 2 29 . 1 1 7 7 THR H H 1 7.977 0.004 . 1 . . . . 7 T H . 16514 2 30 . 1 1 7 7 THR C C 13 174.208 0.005 . 1 . . . . 7 T C . 16514 2 31 . 1 1 7 7 THR CA C 13 61.884 0.003 . 1 . . . . 7 T CA . 16514 2 32 . 1 1 7 7 THR CB C 13 69.936 0.014 . 1 . . . . 7 T CB . 16514 2 33 . 1 1 7 7 THR N N 15 113.343 0.007 . 1 . . . . 7 T N . 16514 2 34 . 1 1 8 8 VAL H H 1 7.972 0.004 . 1 . . . . 8 V H . 16514 2 35 . 1 1 8 8 VAL C C 13 173.842 0.000 . 1 . . . . 8 V C . 16514 2 36 . 1 1 8 8 VAL CA C 13 59.732 0.000 . 1 . . . . 8 V CA . 16514 2 37 . 1 1 8 8 VAL CB C 13 32.797 0.000 . 1 . . . . 8 V CB . 16514 2 38 . 1 1 8 8 VAL N N 15 123.538 0.010 . 1 . . . . 8 V N . 16514 2 39 . 1 1 10 10 PRO C C 13 176.527 0.000 . 1 . . . . 10 P C . 16514 2 40 . 1 1 10 10 PRO CA C 13 62.926 0.000 . 1 . . . . 10 P CA . 16514 2 41 . 1 1 10 10 PRO CB C 13 32.055 0.000 . 1 . . . . 10 P CB . 16514 2 42 . 1 1 11 11 ALA H H 1 8.128 0.004 . 1 . . . . 11 A H . 16514 2 43 . 1 1 11 11 ALA C C 13 176.991 0.007 . 1 . . . . 11 A C . 16514 2 44 . 1 1 11 11 ALA CA C 13 52.133 0.001 . 1 . . . . 11 A CA . 16514 2 45 . 1 1 11 11 ALA CB C 13 19.552 0.000 . 1 . . . . 11 A CB . 16514 2 46 . 1 1 11 11 ALA N N 15 123.861 0.019 . 1 . . . . 11 A N . 16514 2 47 . 1 1 12 12 ALA H H 1 8.094 0.004 . 1 . . . . 12 A H . 16514 2 48 . 1 1 12 12 ALA C C 13 175.440 0.000 . 1 . . . . 12 A C . 16514 2 49 . 1 1 12 12 ALA CA C 13 50.339 0.000 . 1 . . . . 12 A CA . 16514 2 50 . 1 1 12 12 ALA CB C 13 18.668 0.000 . 1 . . . . 12 A CB . 16514 2 51 . 1 1 12 12 ALA N N 15 124.278 0.014 . 1 . . . . 12 A N . 16514 2 52 . 1 1 13 13 PRO C C 13 176.756 0.003 . 1 . . . . 13 P C . 16514 2 53 . 1 1 13 13 PRO CA C 13 63.182 0.000 . 1 . . . . 13 P CA . 16514 2 54 . 1 1 13 13 PRO CB C 13 32.056 0.000 . 1 . . . . 13 P CB . 16514 2 55 . 1 1 14 14 ALA H H 1 8.297 0.002 . 1 . . . . 14 A H . 16514 2 56 . 1 1 14 14 ALA C C 13 178.286 0.008 . 1 . . . . 14 A C . 16514 2 57 . 1 1 14 14 ALA CA C 13 52.621 0.006 . 1 . . . . 14 A CA . 16514 2 58 . 1 1 14 14 ALA CB C 13 19.470 0.002 . 1 . . . . 14 A CB . 16514 2 59 . 1 1 14 14 ALA N N 15 124.200 0.012 . 1 . . . . 14 A N . 16514 2 60 . 1 1 15 15 GLY H H 1 8.235 0.002 . 1 . . . . 15 G H . 16514 2 61 . 1 1 15 15 GLY C C 13 174.262 0.002 . 1 . . . . 15 G C . 16514 2 62 . 1 1 15 15 GLY CA C 13 45.373 0.010 . 1 . . . . 15 G CA . 16514 2 63 . 1 1 15 15 GLY N N 15 108.033 0.017 . 1 . . . . 15 G N . 16514 2 64 . 1 1 16 16 GLU H H 1 8.217 0.002 . 1 . . . . 16 E H . 16514 2 65 . 1 1 16 16 GLU C C 13 176.988 0.007 . 1 . . . . 16 E C . 16514 2 66 . 1 1 16 16 GLU CA C 13 56.681 0.008 . 1 . . . . 16 E CA . 16514 2 67 . 1 1 16 16 GLU CB C 13 30.404 0.001 . 1 . . . . 16 E CB . 16514 2 68 . 1 1 16 16 GLU N N 15 120.549 0.010 . 1 . . . . 16 E N . 16514 2 69 . 1 1 17 17 GLY H H 1 8.391 0.003 . 1 . . . . 17 G H . 16514 2 70 . 1 1 17 17 GLY C C 13 174.293 0.005 . 1 . . . . 17 G C . 16514 2 71 . 1 1 17 17 GLY CA C 13 45.352 0.006 . 1 . . . . 17 G CA . 16514 2 72 . 1 1 17 17 GLY N N 15 109.779 0.013 . 1 . . . . 17 G N . 16514 2 73 . 1 1 18 18 GLY H H 1 7.992 0.004 . 1 . . . . 18 G H . 16514 2 74 . 1 1 18 18 GLY C C 13 171.220 0.000 . 1 . . . . 18 G C . 16514 2 75 . 1 1 18 18 GLY CA C 13 44.452 0.062 . 1 . . . . 18 G CA . 16514 2 76 . 1 1 18 18 GLY N N 15 108.783 0.010 . 1 . . . . 18 G N . 16514 2 77 . 1 1 20 20 PRO C C 13 176.204 0.012 . 1 . . . . 20 P C . 16514 2 78 . 1 1 20 20 PRO CA C 13 62.944 0.000 . 1 . . . . 20 P CA . 16514 2 79 . 1 1 20 20 PRO CB C 13 31.915 0.000 . 1 . . . . 20 P CB . 16514 2 80 . 1 1 21 21 ALA H H 1 8.151 0.004 . 1 . . . . 21 A H . 16514 2 81 . 1 1 21 21 ALA C C 13 174.957 0.000 . 1 . . . . 21 A C . 16514 2 82 . 1 1 21 21 ALA CA C 13 50.196 0.000 . 1 . . . . 21 A CA . 16514 2 83 . 1 1 21 21 ALA CB C 13 18.512 0.000 . 1 . . . . 21 A CB . 16514 2 84 . 1 1 21 21 ALA N N 15 125.044 0.019 . 1 . . . . 21 A N . 16514 2 85 . 1 1 24 24 PRO C C 13 176.646 0.001 . 1 . . . . 24 P C . 16514 2 86 . 1 1 24 24 PRO CA C 13 63.312 0.000 . 1 . . . . 24 P CA . 16514 2 87 . 1 1 24 24 PRO CB C 13 31.993 0.000 . 1 . . . . 24 P CB . 16514 2 88 . 1 1 25 25 ASN H H 1 8.324 0.002 . 1 . . . . 25 N H . 16514 2 89 . 1 1 25 25 ASN C C 13 175.302 0.007 . 1 . . . . 25 N C . 16514 2 90 . 1 1 25 25 ASN CA C 13 53.281 0.015 . 1 . . . . 25 N CA . 16514 2 91 . 1 1 25 25 ASN CB C 13 38.752 0.023 . 1 . . . . 25 N CB . 16514 2 92 . 1 1 25 25 ASN N N 15 117.532 0.007 . 1 . . . . 25 N N . 16514 2 93 . 1 1 26 26 LEU H H 1 8.201 0.003 . 1 . . . . 26 L H . 16514 2 94 . 1 1 26 26 LEU C C 13 177.469 0.003 . 1 . . . . 26 L C . 16514 2 95 . 1 1 26 26 LEU CA C 13 55.784 0.017 . 1 . . . . 26 L CA . 16514 2 96 . 1 1 26 26 LEU CB C 13 42.541 0.007 . 1 . . . . 26 L CB . 16514 2 97 . 1 1 26 26 LEU N N 15 122.353 0.012 . 1 . . . . 26 L N . 16514 2 98 . 1 1 27 27 THR H H 1 7.986 0.005 . 1 . . . . 27 T H . 16514 2 99 . 1 1 27 27 THR C C 13 174.757 0.003 . 1 . . . . 27 T C . 16514 2 100 . 1 1 27 27 THR CA C 13 62.156 0.013 . 1 . . . . 27 T CA . 16514 2 101 . 1 1 27 27 THR CB C 13 69.639 0.083 . 1 . . . . 27 T CB . 16514 2 102 . 1 1 27 27 THR N N 15 112.571 0.046 . 1 . . . . 27 T N . 16514 2 103 . 1 1 28 28 SER H H 1 8.130 0.004 . 1 . . . . 28 S H . 16514 2 104 . 1 1 28 28 SER C C 13 174.445 0.000 . 1 . . . . 28 S C . 16514 2 105 . 1 1 28 28 SER CA C 13 58.727 0.006 . 1 . . . . 28 S CA . 16514 2 106 . 1 1 28 28 SER CB C 13 63.782 0.054 . 1 . . . . 28 S CB . 16514 2 107 . 1 1 28 28 SER N N 15 117.118 0.008 . 1 . . . . 28 S N . 16514 2 108 . 1 1 29 29 ASN H H 1 8.342 0.004 . 1 . . . . 29 N H . 16514 2 109 . 1 1 29 29 ASN C C 13 175.475 0.030 . 1 . . . . 29 N C . 16514 2 110 . 1 1 29 29 ASN CA C 13 53.825 0.028 . 1 . . . . 29 N CA . 16514 2 111 . 1 1 29 29 ASN CB C 13 39.042 0.041 . 1 . . . . 29 N CB . 16514 2 112 . 1 1 29 29 ASN N N 15 120.685 0.037 . 1 . . . . 29 N N . 16514 2 113 . 1 1 30 30 ARG H H 1 8.231 0.003 . 1 . . . . 30 R H . 16514 2 114 . 1 1 30 30 ARG C C 13 176.699 0.008 . 1 . . . . 30 R C . 16514 2 115 . 1 1 30 30 ARG CA C 13 57.137 0.000 . 1 . . . . 30 R CA . 16514 2 116 . 1 1 30 30 ARG CB C 13 30.650 0.000 . 1 . . . . 30 R CB . 16514 2 117 . 1 1 30 30 ARG N N 15 121.363 0.062 . 1 . . . . 30 R N . 16514 2 118 . 1 1 31 31 ARG H H 1 8.244 0.003 . 1 . . . . 31 R H . 16514 2 119 . 1 1 31 31 ARG C C 13 177.141 0.028 . 1 . . . . 31 R C . 16514 2 120 . 1 1 31 31 ARG CA C 13 57.141 0.020 . 1 . . . . 31 R CA . 16514 2 121 . 1 1 31 31 ARG CB C 13 30.534 0.025 . 1 . . . . 31 R CB . 16514 2 122 . 1 1 31 31 ARG N N 15 120.765 0.004 . 1 . . . . 31 R N . 16514 2 123 . 1 1 32 32 LEU H H 1 8.194 0.003 . 1 . . . . 32 L H . 16514 2 124 . 1 1 32 32 LEU C C 13 177.587 0.019 . 1 . . . . 32 L C . 16514 2 125 . 1 1 32 32 LEU CA C 13 56.137 0.025 . 1 . . . . 32 L CA . 16514 2 126 . 1 1 32 32 LEU CB C 13 42.093 0.012 . 1 . . . . 32 L CB . 16514 2 127 . 1 1 32 32 LEU N N 15 121.591 0.073 . 1 . . . . 32 L N . 16514 2 128 . 1 1 33 33 GLN H H 1 8.184 0.002 . 1 . . . . 33 Q H . 16514 2 129 . 1 1 33 33 GLN C C 13 176.825 0.018 . 1 . . . . 33 Q C . 16514 2 130 . 1 1 33 33 GLN CA C 13 57.103 0.000 . 1 . . . . 33 Q CA . 16514 2 131 . 1 1 33 33 GLN CB C 13 29.229 0.000 . 1 . . . . 33 Q CB . 16514 2 132 . 1 1 33 33 GLN N N 15 119.742 0.024 . 1 . . . . 33 Q N . 16514 2 133 . 1 1 34 34 GLN H H 1 8.274 0.002 . 1 . . . . 34 Q H . 16514 2 134 . 1 1 34 34 GLN C C 13 176.768 0.006 . 1 . . . . 34 Q C . 16514 2 135 . 1 1 34 34 GLN CA C 13 56.936 0.032 . 1 . . . . 34 Q CA . 16514 2 136 . 1 1 34 34 GLN CB C 13 29.304 0.038 . 1 . . . . 34 Q CB . 16514 2 137 . 1 1 34 34 GLN N N 15 120.026 0.029 . 1 . . . . 34 Q N . 16514 2 138 . 1 1 35 35 THR H H 1 8.049 0.004 . 1 . . . . 35 T H . 16514 2 139 . 1 1 35 35 THR C C 13 175.068 0.009 . 1 . . . . 35 T C . 16514 2 140 . 1 1 35 35 THR CA C 13 63.591 0.007 . 1 . . . . 35 T CA . 16514 2 141 . 1 1 35 35 THR CB C 13 69.629 0.058 . 1 . . . . 35 T CB . 16514 2 142 . 1 1 35 35 THR N N 15 115.054 0.010 . 1 . . . . 35 T N . 16514 2 143 . 1 1 36 36 GLN H H 1 8.389 0.002 . 1 . . . . 36 Q H . 16514 2 144 . 1 1 36 36 GLN C C 13 176.241 0.014 . 1 . . . . 36 Q C . 16514 2 145 . 1 1 36 36 GLN CA C 13 57.393 0.051 . 1 . . . . 36 Q CA . 16514 2 146 . 1 1 36 36 GLN CB C 13 29.096 0.025 . 1 . . . . 36 Q CB . 16514 2 147 . 1 1 36 36 GLN N N 15 121.754 0.013 . 1 . . . . 36 Q N . 16514 2 148 . 1 1 37 37 ALA H H 1 8.105 0.004 . 1 . . . . 37 A H . 16514 2 149 . 1 1 37 37 ALA C C 13 178.617 0.020 . 1 . . . . 37 A C . 16514 2 150 . 1 1 37 37 ALA CA C 13 53.669 0.023 . 1 . . . . 37 A CA . 16514 2 151 . 1 1 37 37 ALA CB C 13 18.987 0.000 . 1 . . . . 37 A CB . 16514 2 152 . 1 1 37 37 ALA N N 15 122.627 0.013 . 1 . . . . 37 A N . 16514 2 153 . 1 1 38 38 GLN H H 1 8.094 0.004 . 1 . . . . 38 Q H . 16514 2 154 . 1 1 38 38 GLN C C 13 177.508 0.001 . 1 . . . . 38 Q C . 16514 2 155 . 1 1 38 38 GLN CA C 13 57.308 0.000 . 1 . . . . 38 Q CA . 16514 2 156 . 1 1 38 38 GLN CB C 13 29.437 0.000 . 1 . . . . 38 Q CB . 16514 2 157 . 1 1 38 38 GLN N N 15 118.525 0.020 . 1 . . . . 38 Q N . 16514 2 158 . 1 1 39 39 VAL H H 1 8.179 0.003 . 1 . . . . 39 V H . 16514 2 159 . 1 1 39 39 VAL CA C 13 65.503 0.000 . 1 . . . . 39 V CA . 16514 2 160 . 1 1 39 39 VAL CB C 13 31.900 0.000 . 1 . . . . 39 V CB . 16514 2 161 . 1 1 39 39 VAL N N 15 119.887 0.059 . 1 . . . . 39 V N . 16514 2 162 . 1 1 40 40 ASP C C 13 177.855 0.000 . 1 . . . . 40 D C . 16514 2 163 . 1 1 40 40 ASP CA C 13 56.780 0.000 . 1 . . . . 40 D CA . 16514 2 164 . 1 1 40 40 ASP CB C 13 38.926 0.000 . 1 . . . . 40 D CB . 16514 2 165 . 1 1 41 41 GLU H H 1 7.850 0.005 . 1 . . . . 41 E H . 16514 2 166 . 1 1 41 41 GLU C C 13 178.291 0.052 . 1 . . . . 41 E C . 16514 2 167 . 1 1 41 41 GLU CA C 13 58.579 0.020 . 1 . . . . 41 E CA . 16514 2 168 . 1 1 41 41 GLU CB C 13 29.933 0.000 . 1 . . . . 41 E CB . 16514 2 169 . 1 1 41 41 GLU N N 15 119.126 0.052 . 1 . . . . 41 E N . 16514 2 170 . 1 1 42 42 VAL H H 1 7.918 0.004 . 1 . . . . 42 V H . 16514 2 171 . 1 1 42 42 VAL C C 13 177.279 0.012 . 1 . . . . 42 V C . 16514 2 172 . 1 1 42 42 VAL CA C 13 65.813 0.000 . 1 . . . . 42 V CA . 16514 2 173 . 1 1 42 42 VAL CB C 13 31.822 0.000 . 1 . . . . 42 V CB . 16514 2 174 . 1 1 42 42 VAL N N 15 119.354 0.055 . 1 . . . . 42 V N . 16514 2 175 . 1 1 43 43 VAL H H 1 8.303 0.003 . 1 . . . . 43 V H . 16514 2 176 . 1 1 43 43 VAL C C 13 177.226 0.013 . 1 . . . . 43 V C . 16514 2 177 . 1 1 43 43 VAL CA C 13 66.352 0.035 . 1 . . . . 43 V CA . 16514 2 178 . 1 1 43 43 VAL CB C 13 31.542 0.000 . 1 . . . . 43 V CB . 16514 2 179 . 1 1 43 43 VAL N N 15 120.276 0.008 . 1 . . . . 43 V N . 16514 2 180 . 1 1 44 44 ASP H H 1 7.956 0.005 . 1 . . . . 44 D H . 16514 2 181 . 1 1 44 44 ASP C C 13 178.202 0.017 . 1 . . . . 44 D C . 16514 2 182 . 1 1 44 44 ASP CA C 13 57.268 0.019 . 1 . . . . 44 D CA . 16514 2 183 . 1 1 44 44 ASP CB C 13 41.163 0.000 . 1 . . . . 44 D CB . 16514 2 184 . 1 1 44 44 ASP N N 15 120.226 0.022 . 1 . . . . 44 D N . 16514 2 185 . 1 1 45 45 ILE H H 1 7.896 0.004 . 1 . . . . 45 I H . 16514 2 186 . 1 1 45 45 ILE C C 13 178.538 0.009 . 1 . . . . 45 I C . 16514 2 187 . 1 1 45 45 ILE CA C 13 64.253 0.031 . 1 . . . . 45 I CA . 16514 2 188 . 1 1 45 45 ILE CB C 13 38.500 0.000 . 1 . . . . 45 I CB . 16514 2 189 . 1 1 45 45 ILE N N 15 119.228 0.038 . 1 . . . . 45 I N . 16514 2 190 . 1 1 46 46 MET H H 1 8.265 0.003 . 1 . . . . 46 M H . 16514 2 191 . 1 1 46 46 MET C C 13 177.230 0.024 . 1 . . . . 46 M C . 16514 2 192 . 1 1 46 46 MET CA C 13 58.504 0.020 . 1 . . . . 46 M CA . 16514 2 193 . 1 1 46 46 MET CB C 13 31.892 0.000 . 1 . . . . 46 M CB . 16514 2 194 . 1 1 46 46 MET N N 15 119.839 0.030 . 1 . . . . 46 M N . 16514 2 195 . 1 1 47 47 ARG H H 1 8.499 0.006 . 1 . . . . 47 R H . 16514 2 196 . 1 1 47 47 ARG C C 13 177.887 0.027 . 1 . . . . 47 R C . 16514 2 197 . 1 1 47 47 ARG CA C 13 59.416 0.035 . 1 . . . . 47 R CA . 16514 2 198 . 1 1 47 47 ARG CB C 13 30.417 0.000 . 1 . . . . 47 R CB . 16514 2 199 . 1 1 47 47 ARG N N 15 119.230 0.035 . 1 . . . . 47 R N . 16514 2 200 . 1 1 48 48 VAL H H 1 7.956 0.004 . 1 . . . . 48 V H . 16514 2 201 . 1 1 48 48 VAL C C 13 177.450 0.000 . 1 . . . . 48 V C . 16514 2 202 . 1 1 48 48 VAL CA C 13 64.674 0.015 . 1 . . . . 48 V CA . 16514 2 203 . 1 1 48 48 VAL CB C 13 32.156 0.000 . 1 . . . . 48 V CB . 16514 2 204 . 1 1 48 48 VAL N N 15 116.542 0.018 . 1 . . . . 48 V N . 16514 2 205 . 1 1 49 49 ASN H H 1 7.829 0.005 . 1 . . . . 49 N H . 16514 2 206 . 1 1 49 49 ASN C C 13 176.477 0.038 . 1 . . . . 49 N C . 16514 2 207 . 1 1 49 49 ASN CA C 13 56.044 0.024 . 1 . . . . 49 N CA . 16514 2 208 . 1 1 49 49 ASN CB C 13 40.407 0.005 . 1 . . . . 49 N CB . 16514 2 209 . 1 1 49 49 ASN N N 15 118.523 0.078 . 1 . . . . 49 N N . 16514 2 210 . 1 1 50 50 VAL H H 1 8.335 0.005 . 1 . . . . 50 V H . 16514 2 211 . 1 1 50 50 VAL C C 13 176.707 0.030 . 1 . . . . 50 V C . 16514 2 212 . 1 1 50 50 VAL CA C 13 65.964 0.000 . 1 . . . . 50 V CA . 16514 2 213 . 1 1 50 50 VAL CB C 13 31.635 0.000 . 1 . . . . 50 V CB . 16514 2 214 . 1 1 50 50 VAL N N 15 120.299 0.033 . 1 . . . . 50 V N . 16514 2 215 . 1 1 51 51 ASP H H 1 8.332 0.002 . 1 . . . . 51 D H . 16514 2 216 . 1 1 51 51 ASP C C 13 177.861 0.007 . 1 . . . . 51 D C . 16514 2 217 . 1 1 51 51 ASP CA C 13 56.852 0.077 . 1 . . . . 51 D CA . 16514 2 218 . 1 1 51 51 ASP CB C 13 40.371 0.000 . 1 . . . . 51 D CB . 16514 2 219 . 1 1 51 51 ASP N N 15 120.106 0.032 . 1 . . . . 51 D N . 16514 2 220 . 1 1 52 52 LYS H H 1 7.693 0.005 . 1 . . . . 52 K H . 16514 2 221 . 1 1 52 52 LYS C C 13 178.353 0.026 . 1 . . . . 52 K C . 16514 2 222 . 1 1 52 52 LYS CA C 13 58.355 0.021 . 1 . . . . 52 K CA . 16514 2 223 . 1 1 52 52 LYS CB C 13 32.750 0.000 . 1 . . . . 52 K CB . 16514 2 224 . 1 1 52 52 LYS N N 15 117.550 0.076 . 1 . . . . 52 K N . 16514 2 225 . 1 1 53 53 VAL H H 1 7.709 0.004 . 1 . . . . 53 V H . 16514 2 226 . 1 1 53 53 VAL C C 13 176.423 0.009 . 1 . . . . 53 V C . 16514 2 227 . 1 1 53 53 VAL CA C 13 64.409 0.025 . 1 . . . . 53 V CA . 16514 2 228 . 1 1 53 53 VAL CB C 13 32.382 0.000 . 1 . . . . 53 V CB . 16514 2 229 . 1 1 53 53 VAL N N 15 117.099 0.024 . 1 . . . . 53 V N . 16514 2 230 . 1 1 54 54 LEU H H 1 7.879 0.006 . 1 . . . . 54 L H . 16514 2 231 . 1 1 54 54 LEU C C 13 177.171 0.006 . 1 . . . . 54 L C . 16514 2 232 . 1 1 54 54 LEU CA C 13 55.638 0.008 . 1 . . . . 54 L CA . 16514 2 233 . 1 1 54 54 LEU CB C 13 42.327 0.000 . 1 . . . . 54 L CB . 16514 2 234 . 1 1 54 54 LEU N N 15 119.026 0.066 . 1 . . . . 54 L N . 16514 2 235 . 1 1 55 55 GLU H H 1 7.900 0.004 . 1 . . . . 55 E H . 16514 2 236 . 1 1 55 55 GLU C C 13 176.533 0.005 . 1 . . . . 55 E C . 16514 2 237 . 1 1 55 55 GLU CA C 13 56.970 0.000 . 1 . . . . 55 E CA . 16514 2 238 . 1 1 55 55 GLU CB C 13 29.709 0.073 . 1 . . . . 55 E CB . 16514 2 239 . 1 1 55 55 GLU N N 15 118.967 0.036 . 1 . . . . 55 E N . 16514 2 240 . 1 1 56 56 ARG H H 1 8.038 0.005 . 1 . . . . 56 R H . 16514 2 241 . 1 1 56 56 ARG C C 13 176.185 0.014 . 1 . . . . 56 R C . 16514 2 242 . 1 1 56 56 ARG CA C 13 56.677 0.055 . 1 . . . . 56 R CA . 16514 2 243 . 1 1 56 56 ARG CB C 13 30.892 0.145 . 1 . . . . 56 R CB . 16514 2 244 . 1 1 56 56 ARG N N 15 120.557 0.014 . 1 . . . . 56 R N . 16514 2 245 . 1 1 57 57 ASP H H 1 8.350 0.002 . 1 . . . . 57 D H . 16514 2 246 . 1 1 57 57 ASP C C 13 176.300 0.024 . 1 . . . . 57 D C . 16514 2 247 . 1 1 57 57 ASP CA C 13 54.719 0.005 . 1 . . . . 57 D CA . 16514 2 248 . 1 1 57 57 ASP CB C 13 41.277 0.000 . 1 . . . . 57 D CB . 16514 2 249 . 1 1 57 57 ASP N N 15 120.514 0.026 . 1 . . . . 57 D N . 16514 2 250 . 1 1 58 58 GLN H H 1 8.183 0.004 . 1 . . . . 58 Q H . 16514 2 251 . 1 1 58 58 GLN C C 13 176.087 0.005 . 1 . . . . 58 Q C . 16514 2 252 . 1 1 58 58 GLN CA C 13 56.350 0.000 . 1 . . . . 58 Q CA . 16514 2 253 . 1 1 58 58 GLN CB C 13 29.733 0.022 . 1 . . . . 58 Q CB . 16514 2 254 . 1 1 58 58 GLN N N 15 120.637 0.036 . 1 . . . . 58 Q N . 16514 2 255 . 1 1 59 59 LYS H H 1 8.287 0.002 . 1 . . . . 59 K H . 16514 2 256 . 1 1 59 59 LYS C C 13 176.910 0.006 . 1 . . . . 59 K C . 16514 2 257 . 1 1 59 59 LYS CA C 13 56.635 0.024 . 1 . . . . 59 K CA . 16514 2 258 . 1 1 59 59 LYS CB C 13 32.689 0.033 . 1 . . . . 59 K CB . 16514 2 259 . 1 1 59 59 LYS N N 15 121.620 0.022 . 1 . . . . 59 K N . 16514 2 260 . 1 1 60 60 LEU H H 1 8.226 0.002 . 1 . . . . 60 L H . 16514 2 261 . 1 1 60 60 LEU C C 13 177.614 0.023 . 1 . . . . 60 L C . 16514 2 262 . 1 1 60 60 LEU CA C 13 55.776 0.009 . 1 . . . . 60 L CA . 16514 2 263 . 1 1 60 60 LEU CB C 13 42.270 0.010 . 1 . . . . 60 L CB . 16514 2 264 . 1 1 60 60 LEU N N 15 122.414 0.012 . 1 . . . . 60 L N . 16514 2 265 . 1 1 61 61 SER H H 1 8.150 0.004 . 1 . . . . 61 S H . 16514 2 266 . 1 1 61 61 SER C C 13 174.766 0.000 . 1 . . . . 61 S C . 16514 2 267 . 1 1 61 61 SER CA C 13 58.909 0.000 . 1 . . . . 61 S CA . 16514 2 268 . 1 1 61 61 SER CB C 13 63.945 0.007 . 1 . . . . 61 S CB . 16514 2 269 . 1 1 61 61 SER N N 15 115.325 0.007 . 1 . . . . 61 S N . 16514 2 270 . 1 1 62 62 GLU H H 1 8.270 0.003 . 1 . . . . 62 E H . 16514 2 271 . 1 1 62 62 GLU C C 13 176.506 0.009 . 1 . . . . 62 E C . 16514 2 272 . 1 1 62 62 GLU CA C 13 56.933 0.035 . 1 . . . . 62 E CA . 16514 2 273 . 1 1 62 62 GLU CB C 13 30.124 0.033 . 1 . . . . 62 E CB . 16514 2 274 . 1 1 62 62 GLU N N 15 121.913 0.025 . 1 . . . . 62 E N . 16514 2 275 . 1 1 63 63 LEU H H 1 7.969 0.004 . 1 . . . . 63 L H . 16514 2 276 . 1 1 63 63 LEU C C 13 177.059 0.006 . 1 . . . . 63 L C . 16514 2 277 . 1 1 63 63 LEU CA C 13 55.519 0.001 . 1 . . . . 63 L CA . 16514 2 278 . 1 1 63 63 LEU CB C 13 42.488 0.000 . 1 . . . . 63 L CB . 16514 2 279 . 1 1 63 63 LEU N N 15 121.273 0.005 . 1 . . . . 63 L N . 16514 2 280 . 1 1 64 64 ASP H H 1 8.082 0.003 . 1 . . . . 64 D H . 16514 2 281 . 1 1 64 64 ASP C C 13 176.114 0.020 . 1 . . . . 64 D C . 16514 2 282 . 1 1 64 64 ASP CA C 13 54.703 0.000 . 1 . . . . 64 D CA . 16514 2 283 . 1 1 64 64 ASP CB C 13 41.689 0.000 . 1 . . . . 64 D CB . 16514 2 284 . 1 1 64 64 ASP N N 15 120.594 0.006 . 1 . . . . 64 D N . 16514 2 285 . 1 1 65 65 ASP H H 1 8.191 0.004 . 1 . . . . 65 D H . 16514 2 286 . 1 1 65 65 ASP C C 13 176.704 0.007 . 1 . . . . 65 D C . 16514 2 287 . 1 1 65 65 ASP CA C 13 54.735 0.014 . 1 . . . . 65 D CA . 16514 2 288 . 1 1 65 65 ASP CB C 13 41.191 0.049 . 1 . . . . 65 D CB . 16514 2 289 . 1 1 65 65 ASP N N 15 120.873 0.014 . 1 . . . . 65 D N . 16514 2 290 . 1 1 66 66 ARG H H 1 8.161 0.003 . 1 . . . . 66 R H . 16514 2 291 . 1 1 66 66 ARG C C 13 176.641 0.003 . 1 . . . . 66 R C . 16514 2 292 . 1 1 66 66 ARG CA C 13 56.611 0.020 . 1 . . . . 66 R CA . 16514 2 293 . 1 1 66 66 ARG CB C 13 30.584 0.040 . 1 . . . . 66 R CB . 16514 2 294 . 1 1 66 66 ARG N N 15 120.422 0.012 . 1 . . . . 66 R N . 16514 2 295 . 1 1 67 67 ALA H H 1 8.173 0.003 . 1 . . . . 67 A H . 16514 2 296 . 1 1 67 67 ALA C C 13 178.080 0.004 . 1 . . . . 67 A C . 16514 2 297 . 1 1 67 67 ALA CA C 13 53.498 0.002 . 1 . . . . 67 A CA . 16514 2 298 . 1 1 67 67 ALA CB C 13 19.160 0.004 . 1 . . . . 67 A CB . 16514 2 299 . 1 1 67 67 ALA N N 15 123.647 0.021 . 1 . . . . 67 A N . 16514 2 300 . 1 1 68 68 ASP H H 1 8.162 0.003 . 1 . . . . 68 D H . 16514 2 301 . 1 1 68 68 ASP C C 13 176.791 0.008 . 1 . . . . 68 D C . 16514 2 302 . 1 1 68 68 ASP CA C 13 55.016 0.001 . 1 . . . . 68 D CA . 16514 2 303 . 1 1 68 68 ASP CB C 13 41.130 0.001 . 1 . . . . 68 D CB . 16514 2 304 . 1 1 68 68 ASP N N 15 118.601 0.008 . 1 . . . . 68 D N . 16514 2 305 . 1 1 69 69 ALA H H 1 8.017 0.004 . 1 . . . . 69 A H . 16514 2 306 . 1 1 69 69 ALA C C 13 178.416 0.013 . 1 . . . . 69 A C . 16514 2 307 . 1 1 69 69 ALA CA C 13 53.514 0.001 . 1 . . . . 69 A CA . 16514 2 308 . 1 1 69 69 ALA CB C 13 19.242 0.004 . 1 . . . . 69 A CB . 16514 2 309 . 1 1 69 69 ALA N N 15 123.249 0.011 . 1 . . . . 69 A N . 16514 2 310 . 1 1 70 70 LEU H H 1 8.034 0.004 . 1 . . . . 70 L H . 16514 2 311 . 1 1 70 70 LEU C C 13 177.766 0.008 . 1 . . . . 70 L C . 16514 2 312 . 1 1 70 70 LEU CA C 13 56.114 0.000 . 1 . . . . 70 L CA . 16514 2 313 . 1 1 70 70 LEU CB C 13 42.076 0.001 . 1 . . . . 70 L CB . 16514 2 314 . 1 1 70 70 LEU N N 15 119.304 0.012 . 1 . . . . 70 L N . 16514 2 315 . 1 1 71 71 GLN H H 1 8.064 0.004 . 1 . . . . 71 Q H . 16514 2 316 . 1 1 71 71 GLN C C 13 176.370 0.014 . 1 . . . . 71 Q C . 16514 2 317 . 1 1 71 71 GLN CA C 13 56.651 0.001 . 1 . . . . 71 Q CA . 16514 2 318 . 1 1 71 71 GLN CB C 13 29.228 0.023 . 1 . . . . 71 Q CB . 16514 2 319 . 1 1 71 71 GLN N N 15 119.457 0.007 . 1 . . . . 71 Q N . 16514 2 320 . 1 1 72 72 ALA H H 1 8.149 0.002 . 1 . . . . 72 A H . 16514 2 321 . 1 1 72 72 ALA C C 13 178.679 0.016 . 1 . . . . 72 A C . 16514 2 322 . 1 1 72 72 ALA CA C 13 53.315 0.020 . 1 . . . . 72 A CA . 16514 2 323 . 1 1 72 72 ALA CB C 13 19.242 0.025 . 1 . . . . 72 A CB . 16514 2 324 . 1 1 72 72 ALA N N 15 123.911 0.040 . 1 . . . . 72 A N . 16514 2 325 . 1 1 73 73 GLY H H 1 8.283 0.002 . 1 . . . . 73 G H . 16514 2 326 . 1 1 73 73 GLY C C 13 174.222 0.004 . 1 . . . . 73 G C . 16514 2 327 . 1 1 73 73 GLY CA C 13 45.798 0.015 . 1 . . . . 73 G CA . 16514 2 328 . 1 1 73 73 GLY N N 15 107.525 0.017 . 1 . . . . 73 G N . 16514 2 329 . 1 1 74 74 ALA H H 1 8.135 0.003 . 1 . . . . 74 A H . 16514 2 330 . 1 1 74 74 ALA C C 13 178.250 0.013 . 1 . . . . 74 A C . 16514 2 331 . 1 1 74 74 ALA CA C 13 53.262 0.009 . 1 . . . . 74 A CA . 16514 2 332 . 1 1 74 74 ALA CB C 13 19.425 0.016 . 1 . . . . 74 A CB . 16514 2 333 . 1 1 74 74 ALA N N 15 123.405 0.027 . 1 . . . . 74 A N . 16514 2 334 . 1 1 75 75 SER H H 1 8.273 0.002 . 1 . . . . 75 S H . 16514 2 335 . 1 1 75 75 SER C C 13 175.507 0.000 . 1 . . . . 75 S C . 16514 2 336 . 1 1 75 75 SER CA C 13 59.213 0.001 . 1 . . . . 75 S CA . 16514 2 337 . 1 1 75 75 SER CB C 13 63.899 0.014 . 1 . . . . 75 S CB . 16514 2 338 . 1 1 75 75 SER N N 15 114.293 0.017 . 1 . . . . 75 S N . 16514 2 339 . 1 1 76 76 GLN H H 1 8.382 0.002 . 1 . . . . 76 Q H . 16514 2 340 . 1 1 76 76 GLN C C 13 176.782 0.011 . 1 . . . . 76 Q C . 16514 2 341 . 1 1 76 76 GLN CA C 13 57.203 0.024 . 1 . . . . 76 Q CA . 16514 2 342 . 1 1 76 76 GLN CB C 13 29.195 0.000 . 1 . . . . 76 Q CB . 16514 2 343 . 1 1 76 76 GLN N N 15 121.773 0.035 . 1 . . . . 76 Q N . 16514 2 344 . 1 1 77 77 PHE H H 1 8.213 0.003 . 1 . . . . 77 F H . 16514 2 345 . 1 1 77 77 PHE C C 13 175.983 0.036 . 1 . . . . 77 F C . 16514 2 346 . 1 1 77 77 PHE CA C 13 59.257 0.006 . 1 . . . . 77 F CA . 16514 2 347 . 1 1 77 77 PHE CB C 13 39.581 0.033 . 1 . . . . 77 F CB . 16514 2 348 . 1 1 77 77 PHE N N 15 119.734 0.038 . 1 . . . . 77 F N . 16514 2 349 . 1 1 78 78 GLU H H 1 8.194 0.004 . 1 . . . . 78 E H . 16514 2 350 . 1 1 78 78 GLU C C 13 177.517 0.016 . 1 . . . . 78 E C . 16514 2 351 . 1 1 78 78 GLU CA C 13 58.290 0.025 . 1 . . . . 78 E CA . 16514 2 352 . 1 1 78 78 GLU CB C 13 30.244 0.000 . 1 . . . . 78 E CB . 16514 2 353 . 1 1 78 78 GLU N N 15 120.498 0.008 . 1 . . . . 78 E N . 16514 2 354 . 1 1 79 79 THR H H 1 8.093 0.012 . 1 . . . . 79 T H . 16514 2 355 . 1 1 79 79 THR C C 13 175.843 0.011 . 1 . . . . 79 T C . 16514 2 356 . 1 1 79 79 THR CA C 13 63.848 0.048 . 1 . . . . 79 T CA . 16514 2 357 . 1 1 79 79 THR CB C 13 69.259 0.112 . 1 . . . . 79 T CB . 16514 2 358 . 1 1 79 79 THR N N 15 114.086 0.045 . 1 . . . . 79 T N . 16514 2 359 . 1 1 80 80 SER H H 1 8.245 0.003 . 1 . . . . 80 S H . 16514 2 360 . 1 1 80 80 SER C C 13 175.441 0.000 . 1 . . . . 80 S C . 16514 2 361 . 1 1 80 80 SER CA C 13 61.041 0.012 . 1 . . . . 80 S CA . 16514 2 362 . 1 1 80 80 SER CB C 13 63.520 0.010 . 1 . . . . 80 S CB . 16514 2 363 . 1 1 80 80 SER N N 15 118.001 0.017 . 1 . . . . 80 S N . 16514 2 364 . 1 1 81 81 ALA H H 1 8.452 0.005 . 1 . . . . 81 A H . 16514 2 365 . 1 1 81 81 ALA C C 13 178.522 0.037 . 1 . . . . 81 A C . 16514 2 366 . 1 1 81 81 ALA CA C 13 54.738 0.000 . 1 . . . . 81 A CA . 16514 2 367 . 1 1 81 81 ALA CB C 13 18.687 0.000 . 1 . . . . 81 A CB . 16514 2 368 . 1 1 81 81 ALA N N 15 124.286 0.020 . 1 . . . . 81 A N . 16514 2 369 . 1 1 82 82 ALA H H 1 7.926 0.003 . 1 . . . . 82 A H . 16514 2 370 . 1 1 82 82 ALA C C 13 179.691 0.018 . 1 . . . . 82 A C . 16514 2 371 . 1 1 82 82 ALA CA C 13 54.693 0.011 . 1 . . . . 82 A CA . 16514 2 372 . 1 1 82 82 ALA CB C 13 18.694 0.030 . 1 . . . . 82 A CB . 16514 2 373 . 1 1 82 82 ALA N N 15 119.678 0.014 . 1 . . . . 82 A N . 16514 2 374 . 1 1 83 83 LYS H H 1 7.769 0.002 . 1 . . . . 83 K H . 16514 2 375 . 1 1 83 83 LYS C C 13 178.347 0.008 . 1 . . . . 83 K C . 16514 2 376 . 1 1 83 83 LYS CA C 13 58.704 0.024 . 1 . . . . 83 K CA . 16514 2 377 . 1 1 83 83 LYS CB C 13 32.701 0.016 . 1 . . . . 83 K CB . 16514 2 378 . 1 1 83 83 LYS N N 15 117.609 0.013 . 1 . . . . 83 K N . 16514 2 379 . 1 1 84 84 LEU H H 1 7.862 0.003 . 1 . . . . 84 L H . 16514 2 380 . 1 1 84 84 LEU C C 13 177.963 0.031 . 1 . . . . 84 L C . 16514 2 381 . 1 1 84 84 LEU CA C 13 56.980 0.045 . 1 . . . . 84 L CA . 16514 2 382 . 1 1 84 84 LEU CB C 13 42.136 0.010 . 1 . . . . 84 L CB . 16514 2 383 . 1 1 84 84 LEU N N 15 119.699 0.012 . 1 . . . . 84 L N . 16514 2 384 . 1 1 85 85 LYS H H 1 7.957 0.004 . 1 . . . . 85 K H . 16514 2 385 . 1 1 85 85 LYS C C 13 177.282 0.019 . 1 . . . . 85 K C . 16514 2 386 . 1 1 85 85 LYS CA C 13 58.439 0.031 . 1 . . . . 85 K CA . 16514 2 387 . 1 1 85 85 LYS CB C 13 32.666 0.000 . 1 . . . . 85 K CB . 16514 2 388 . 1 1 85 85 LYS N N 15 118.382 0.027 . 1 . . . . 85 K N . 16514 2 389 . 1 1 86 86 ARG H H 1 7.736 0.002 . 1 . . . . 86 R H . 16514 2 390 . 1 1 86 86 ARG C C 13 176.906 0.001 . 1 . . . . 86 R C . 16514 2 391 . 1 1 86 86 ARG CA C 13 57.588 0.000 . 1 . . . . 86 R CA . 16514 2 392 . 1 1 86 86 ARG CB C 13 30.436 0.121 . 1 . . . . 86 R CB . 16514 2 393 . 1 1 86 86 ARG N N 15 117.875 0.029 . 1 . . . . 86 R N . 16514 2 394 . 1 1 87 87 LYS H H 1 7.810 0.002 . 1 . . . . 87 K H . 16514 2 395 . 1 1 87 87 LYS C C 13 177.248 0.009 . 1 . . . . 87 K C . 16514 2 396 . 1 1 87 87 LYS CA C 13 57.650 0.045 . 1 . . . . 87 K CA . 16514 2 397 . 1 1 87 87 LYS CB C 13 33.070 0.000 . 1 . . . . 87 K CB . 16514 2 398 . 1 1 87 87 LYS N N 15 118.847 0.036 . 1 . . . . 87 K N . 16514 2 399 . 1 1 88 88 TYR H H 1 7.969 0.004 . 1 . . . . 88 Y H . 16514 2 400 . 1 1 88 88 TYR C C 13 176.009 0.001 . 1 . . . . 88 Y C . 16514 2 401 . 1 1 88 88 TYR CA C 13 58.583 0.000 . 1 . . . . 88 Y CA . 16514 2 402 . 1 1 88 88 TYR CB C 13 38.072 0.000 . 1 . . . . 88 Y CB . 16514 2 403 . 1 1 88 88 TYR N N 15 117.265 0.022 . 1 . . . . 88 Y N . 16514 2 404 . 1 1 89 89 TRP H H 1 7.710 0.003 . 1 . . . . 89 W H . 16514 2 405 . 1 1 89 89 TRP C C 13 176.487 0.003 . 1 . . . . 89 W C . 16514 2 406 . 1 1 89 89 TRP CA C 13 58.373 0.000 . 1 . . . . 89 W CA . 16514 2 407 . 1 1 89 89 TRP CB C 13 29.647 0.000 . 1 . . . . 89 W CB . 16514 2 408 . 1 1 89 89 TRP N N 15 119.378 0.012 . 1 . . . . 89 W N . 16514 2 409 . 1 1 90 90 TRP H H 1 7.021 0.003 . 1 . . . . 90 W H . 16514 2 410 . 1 1 90 90 TRP C C 13 176.444 0.013 . 1 . . . . 90 W C . 16514 2 411 . 1 1 90 90 TRP CA C 13 58.343 0.045 . 1 . . . . 90 W CA . 16514 2 412 . 1 1 90 90 TRP CB C 13 29.270 0.046 . 1 . . . . 90 W CB . 16514 2 413 . 1 1 90 90 TRP N N 15 119.525 0.012 . 1 . . . . 90 W N . 16514 2 414 . 1 1 91 91 LYS H H 1 7.513 0.004 . 1 . . . . 91 K H . 16514 2 415 . 1 1 91 91 LYS C C 13 176.740 0.010 . 1 . . . . 91 K C . 16514 2 416 . 1 1 91 91 LYS CA C 13 57.728 0.016 . 1 . . . . 91 K CA . 16514 2 417 . 1 1 91 91 LYS CB C 13 32.462 0.055 . 1 . . . . 91 K CB . 16514 2 418 . 1 1 91 91 LYS N N 15 118.749 0.010 . 1 . . . . 91 K N . 16514 2 419 . 1 1 92 92 ASN H H 1 7.904 0.004 . 1 . . . . 92 N H . 16514 2 420 . 1 1 92 92 ASN C C 13 175.004 0.007 . 1 . . . . 92 N C . 16514 2 421 . 1 1 92 92 ASN CA C 13 53.740 0.005 . 1 . . . . 92 N CA . 16514 2 422 . 1 1 92 92 ASN CB C 13 39.192 0.058 . 1 . . . . 92 N CB . 16514 2 423 . 1 1 92 92 ASN N N 15 116.284 0.010 . 1 . . . . 92 N N . 16514 2 424 . 1 1 93 93 LEU H H 1 7.706 0.003 . 1 . . . . 93 L H . 16514 2 425 . 1 1 93 93 LEU C C 13 176.130 0.012 . 1 . . . . 93 L C . 16514 2 426 . 1 1 93 93 LEU CA C 13 55.744 0.000 . 1 . . . . 93 L CA . 16514 2 427 . 1 1 93 93 LEU CB C 13 42.437 0.008 . 1 . . . . 93 L CB . 16514 2 428 . 1 1 93 93 LEU N N 15 121.074 0.008 . 1 . . . . 93 L N . 16514 2 429 . 1 1 94 94 LYS H H 1 7.924 0.004 . 1 . . . . 94 K H . 16514 2 430 . 1 1 94 94 LYS C C 13 175.887 0.008 . 1 . . . . 94 K C . 16514 2 431 . 1 1 94 94 LYS CA C 13 56.182 0.000 . 1 . . . . 94 K CA . 16514 2 432 . 1 1 94 94 LYS CB C 13 32.981 0.000 . 1 . . . . 94 K CB . 16514 2 433 . 1 1 94 94 LYS N N 15 119.907 0.005 . 1 . . . . 94 K N . 16514 2 434 . 1 1 95 95 MET H H 1 8.274 0.003 . 1 . . . . 95 M H . 16514 2 435 . 1 1 95 95 MET C C 13 174.811 0.008 . 1 . . . . 95 M C . 16514 2 436 . 1 1 95 95 MET CA C 13 55.929 0.044 . 1 . . . . 95 M CA . 16514 2 437 . 1 1 95 95 MET CB C 13 33.360 0.000 . 1 . . . . 95 M CB . 16514 2 438 . 1 1 95 95 MET N N 15 120.331 0.010 . 1 . . . . 95 M N . 16514 2 439 . 1 1 96 96 MET H H 1 7.658 0.004 . 1 . . . . 96 M H . 16514 2 440 . 1 1 96 96 MET C C 13 180.029 0.000 . 1 . . . . 96 M C . 16514 2 441 . 1 1 96 96 MET CA C 13 57.181 0.000 . 1 . . . . 96 M CA . 16514 2 442 . 1 1 96 96 MET CB C 13 34.200 0.000 . 1 . . . . 96 M CB . 16514 2 443 . 1 1 96 96 MET N N 15 123.745 0.015 . 1 . . . . 96 M N . 16514 2 stop_ save_