data_5102 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5102 _Entry.Title ; A helical region in the C-terminus of small-conductance Ca2+-activated K+ channels controls assembly with apo-calmodulin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2001-08-08 _Entry.Accession_date 2001-08-08 _Entry.Last_release_date 2002-02-04 _Entry.Original_release_date 2002-02-04 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _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 Ralph Wissmann . . . 5102 2 Wolfgang Bildl . . . 5102 3 Heinz Neumann . . . 5102 4 Andre Rivard . F. . 5102 5 Nikolaj Kloecker . . . 5102 6 Dietmar Weitz . . . 5102 7 Uwe Schulte . . . 5102 8 John Adelman . P. . 5102 9 Detlef Bentrop . . . 5102 10 Bernd Fakler . . . 5102 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 4 5102 coupling_constants 1 5102 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 342 5102 '15N chemical shifts' 343 5102 '1H chemical shifts' 871 5102 'coupling constants' 37 5102 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2002-02-04 2001-08-08 original author . 5102 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5102 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; A helical region in the C-terminus of small-conductance Ca2+-activated K+ channels controls assembly with apo-calmodulin ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 277 _Citation.Journal_issue . _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 4558 _Citation.Page_last 4564 _Citation.Year 2002 _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 Ralph Wissmann . . . 5102 1 2 Wolfgang Bildl . . . 5102 1 3 Heinz Neumann . . . 5102 1 4 Andre Rivard . F. . 5102 1 5 Nikolaj Kloecker . . . 5102 1 6 Dietmar Weitz . . . 5102 1 7 Uwe Schulte . . . 5102 1 8 John Adelman . P. . 5102 1 9 Detlef Bentrop . . . 5102 1 10 Bernd Fakler . . . 5102 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_SK2-CaMBD _Assembly.Sf_category assembly _Assembly.Sf_framecode system_SK2-CaMBD _Assembly.Entry_ID 5102 _Assembly.ID 1 _Assembly.Name 'SK2 calmodulin binding domain' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5102 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 CaMBD 1 $CaMBD . . . native . . . . . 5102 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'SK2 calmodulin binding domain' system 5102 1 SK2-CaMBD abbreviation 5102 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CaMBD _Entity.Sf_category entity _Entity.Sf_framecode CaMBD _Entity.Entry_ID 5102 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'SK2 calmodulin binding domain' _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 ; MGRKLELTKAEKHVHNFMMD TQLTKRVKNAAANVLRETWL IYKNTKLVKKIDHAKVRKHQ RKFLQAIHQLRSVKMEQRKL NDQANTLVDLAKTQLEHHHH HH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 102 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _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 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1G4Y . "1.60 A Crystal Structure Of The Gating Domain From Small Conductance Potassium Channel Complexed With Calcium-Calmodulin" . . . . . 99.02 101 100.00 100.00 1.01e-63 . . . . 5102 1 2 no PDB 1KKD . "Solution Structure Of The Calmodulin Binding Domain (Cambd) Of Small Conductance Ca2+-Activated Potassium Channels (Sk2)" . . . . . 100.00 102 100.00 100.00 1.97e-64 . . . . 5102 1 3 no PDB 1QX7 . "Crystal Structure Of Apocam Bound To The Gating Domain Of Small Conductance Ca2+-Activated Potassium Channel" . . . . . 83.33 85 100.00 100.00 2.21e-51 . . . . 5102 1 4 no PDB 4G27 . "Calcium-Calmodulin Complexed With The Calmodulin Binding Domain From A Small Conductance Potassium Channel Splice Variant And P" . . . . . 100.00 102 100.00 100.00 1.97e-64 . . . . 5102 1 5 no PDB 4G28 . "Calcium-Calmodulin Complexed With The Calmodulin Binding Domain From A Small Conductance Potassium Channel Splice Variant And E" . . . . . 100.00 102 100.00 100.00 1.97e-64 . . . . 5102 1 6 no PDB 4J9Y . "Calcium-calmodulin Complexed With The Calmodulin Binding Domain From A Small Conductance Potassium Channel Splice Variant" . . . . . 100.00 102 100.00 100.00 1.97e-64 . . . . 5102 1 7 no PDB 4J9Z . "Calcium-calmodulin Complexed With The Calmodulin Binding Domain From A Small Conductance Potassium Channel Splice Variant And N" . . . . . 100.00 102 100.00 100.00 1.97e-64 . . . . 5102 1 8 no PDB 4QNH . "Calcium-calmodulin (t79d) Complexed With The Calmodulin Binding Domain From A Small Conductance Potassium Channel Sk2-a" . . . . . 100.00 102 100.00 100.00 1.97e-64 . . . . 5102 1 9 no DBJ BAC28176 . "unnamed protein product [Mus musculus]" . . . . . 92.16 841 97.87 98.94 2.89e-53 . . . . 5102 1 10 no DBJ BAC34231 . "unnamed protein product [Mus musculus]" . . . . . 92.16 564 97.87 98.94 8.51e-54 . . . . 5102 1 11 no DBJ BAD08234 . "small conductance potassium channel type2 [Bos taurus]" . . . . . 92.16 581 97.87 98.94 9.06e-55 . . . . 5102 1 12 no DBJ BAE28732 . "unnamed protein product [Mus musculus]" . . . . . 92.16 783 97.87 98.94 6.85e-53 . . . . 5102 1 13 no DBJ BAF82637 . "unnamed protein product [Homo sapiens]" . . . . . 92.16 579 97.87 98.94 3.17e-54 . . . . 5102 1 14 no EMBL CAH90265 . "hypothetical protein [Pongo abelii]" . . . . . 92.16 266 97.87 98.94 5.66e-56 . . . . 5102 1 15 no GB AAB09563 . "calcium-activated potassium channel rSK2 [Rattus norvegicus]" . . . . . 92.16 580 97.87 98.94 1.22e-54 . . . . 5102 1 16 no GB AAF21783 . "small-conductance calcium-activated potassium channel [Gallus gallus]" . . . . . 92.16 553 97.87 98.94 2.03e-53 . . . . 5102 1 17 no GB AAG16728 . "apamin-sensitive small-conductance Ca2+-activated potassium channel [Homo sapiens]" . . . . . 92.16 579 97.87 98.94 3.17e-54 . . . . 5102 1 18 no GB AAH15371 . "Potassium intermediate/small conductance calcium-activated channel, subfamily N, member 2 [Homo sapiens]" . . . . . 92.16 231 97.87 98.94 8.26e-57 . . . . 5102 1 19 no GB AAI17455 . "Potassium intermediate/small conductance calcium-activated channel, subfamily N, member 2 [Homo sapiens]" . . . . . 92.16 579 97.87 98.94 3.17e-54 . . . . 5102 1 20 no REF NP_001125117 . "small conductance calcium-activated potassium channel protein 2 [Pongo abelii]" . . . . . 92.16 266 97.87 98.94 5.66e-56 . . . . 5102 1 21 no REF NP_001265133 . "small conductance calcium-activated potassium channel protein 2 isoform b [Homo sapiens]" . . . . . 92.16 231 97.87 98.94 8.26e-57 . . . . 5102 1 22 no REF NP_062187 . "small conductance calcium-activated potassium channel protein 2 [Rattus norvegicus]" . . . . . 92.16 580 97.87 98.94 1.22e-54 . . . . 5102 1 23 no REF NP_067627 . "small conductance calcium-activated potassium channel protein 2 isoform a [Homo sapiens]" . . . . . 92.16 579 97.87 98.94 3.17e-54 . . . . 5102 1 24 no REF NP_536713 . "small conductance calcium-activated potassium channel protein 2 [Mus musculus]" . . . . . 92.16 574 97.87 98.94 3.65e-54 . . . . 5102 1 25 no SP P58390 . "RecName: Full=Small conductance calcium-activated potassium channel protein 2; Short=SK2; Short=SKCa 2; Short=SKCa2; AltName: F" . . . . . 92.16 839 97.87 98.94 2.82e-53 . . . . 5102 1 26 no SP P70604 . "RecName: Full=Small conductance calcium-activated potassium channel protein 2; Short=SK2; Short=SKCa 2; Short=SKCa2; AltName: F" . . . . . 92.16 580 97.87 98.94 1.22e-54 . . . . 5102 1 27 no SP Q9H2S1 . "RecName: Full=Small conductance calcium-activated potassium channel protein 2; Short=SK2; Short=SKCa 2; Short=SKCa2; AltName: F" . . . . . 92.16 579 97.87 98.94 3.17e-54 . . . . 5102 1 28 no TPG DAA25921 . "TPA: small conductance calcium-activated potassium channel protein 2 isoform 2 [Bos taurus]" . . . . . 92.16 581 97.87 98.94 8.34e-55 . . . . 5102 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID CaMBD abbreviation 5102 1 'SK2 calmodulin binding domain' common 5102 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 . 5102 1 2 . GLY . 5102 1 3 . ARG . 5102 1 4 . LYS . 5102 1 5 . LEU . 5102 1 6 . GLU . 5102 1 7 . LEU . 5102 1 8 . THR . 5102 1 9 . LYS . 5102 1 10 . ALA . 5102 1 11 . GLU . 5102 1 12 . LYS . 5102 1 13 . HIS . 5102 1 14 . VAL . 5102 1 15 . HIS . 5102 1 16 . ASN . 5102 1 17 . PHE . 5102 1 18 . MET . 5102 1 19 . MET . 5102 1 20 . ASP . 5102 1 21 . THR . 5102 1 22 . GLN . 5102 1 23 . LEU . 5102 1 24 . THR . 5102 1 25 . LYS . 5102 1 26 . ARG . 5102 1 27 . VAL . 5102 1 28 . LYS . 5102 1 29 . ASN . 5102 1 30 . ALA . 5102 1 31 . ALA . 5102 1 32 . ALA . 5102 1 33 . ASN . 5102 1 34 . VAL . 5102 1 35 . LEU . 5102 1 36 . ARG . 5102 1 37 . GLU . 5102 1 38 . THR . 5102 1 39 . TRP . 5102 1 40 . LEU . 5102 1 41 . ILE . 5102 1 42 . TYR . 5102 1 43 . LYS . 5102 1 44 . ASN . 5102 1 45 . THR . 5102 1 46 . LYS . 5102 1 47 . LEU . 5102 1 48 . VAL . 5102 1 49 . LYS . 5102 1 50 . LYS . 5102 1 51 . ILE . 5102 1 52 . ASP . 5102 1 53 . HIS . 5102 1 54 . ALA . 5102 1 55 . LYS . 5102 1 56 . VAL . 5102 1 57 . ARG . 5102 1 58 . LYS . 5102 1 59 . HIS . 5102 1 60 . GLN . 5102 1 61 . ARG . 5102 1 62 . LYS . 5102 1 63 . PHE . 5102 1 64 . LEU . 5102 1 65 . GLN . 5102 1 66 . ALA . 5102 1 67 . ILE . 5102 1 68 . HIS . 5102 1 69 . GLN . 5102 1 70 . LEU . 5102 1 71 . ARG . 5102 1 72 . SER . 5102 1 73 . VAL . 5102 1 74 . LYS . 5102 1 75 . MET . 5102 1 76 . GLU . 5102 1 77 . GLN . 5102 1 78 . ARG . 5102 1 79 . LYS . 5102 1 80 . LEU . 5102 1 81 . ASN . 5102 1 82 . ASP . 5102 1 83 . GLN . 5102 1 84 . ALA . 5102 1 85 . ASN . 5102 1 86 . THR . 5102 1 87 . LEU . 5102 1 88 . VAL . 5102 1 89 . ASP . 5102 1 90 . LEU . 5102 1 91 . ALA . 5102 1 92 . LYS . 5102 1 93 . THR . 5102 1 94 . GLN . 5102 1 95 . LEU . 5102 1 96 . GLU . 5102 1 97 . HIS . 5102 1 98 . HIS . 5102 1 99 . HIS . 5102 1 100 . HIS . 5102 1 101 . HIS . 5102 1 102 . HIS . 5102 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 5102 1 . GLY 2 2 5102 1 . ARG 3 3 5102 1 . LYS 4 4 5102 1 . LEU 5 5 5102 1 . GLU 6 6 5102 1 . LEU 7 7 5102 1 . THR 8 8 5102 1 . LYS 9 9 5102 1 . ALA 10 10 5102 1 . GLU 11 11 5102 1 . LYS 12 12 5102 1 . HIS 13 13 5102 1 . VAL 14 14 5102 1 . HIS 15 15 5102 1 . ASN 16 16 5102 1 . PHE 17 17 5102 1 . MET 18 18 5102 1 . MET 19 19 5102 1 . ASP 20 20 5102 1 . THR 21 21 5102 1 . GLN 22 22 5102 1 . LEU 23 23 5102 1 . THR 24 24 5102 1 . LYS 25 25 5102 1 . ARG 26 26 5102 1 . VAL 27 27 5102 1 . LYS 28 28 5102 1 . ASN 29 29 5102 1 . ALA 30 30 5102 1 . ALA 31 31 5102 1 . ALA 32 32 5102 1 . ASN 33 33 5102 1 . VAL 34 34 5102 1 . LEU 35 35 5102 1 . ARG 36 36 5102 1 . GLU 37 37 5102 1 . THR 38 38 5102 1 . TRP 39 39 5102 1 . LEU 40 40 5102 1 . ILE 41 41 5102 1 . TYR 42 42 5102 1 . LYS 43 43 5102 1 . ASN 44 44 5102 1 . THR 45 45 5102 1 . LYS 46 46 5102 1 . LEU 47 47 5102 1 . VAL 48 48 5102 1 . LYS 49 49 5102 1 . LYS 50 50 5102 1 . ILE 51 51 5102 1 . ASP 52 52 5102 1 . HIS 53 53 5102 1 . ALA 54 54 5102 1 . LYS 55 55 5102 1 . VAL 56 56 5102 1 . ARG 57 57 5102 1 . LYS 58 58 5102 1 . HIS 59 59 5102 1 . GLN 60 60 5102 1 . ARG 61 61 5102 1 . LYS 62 62 5102 1 . PHE 63 63 5102 1 . LEU 64 64 5102 1 . GLN 65 65 5102 1 . ALA 66 66 5102 1 . ILE 67 67 5102 1 . HIS 68 68 5102 1 . GLN 69 69 5102 1 . LEU 70 70 5102 1 . ARG 71 71 5102 1 . SER 72 72 5102 1 . VAL 73 73 5102 1 . LYS 74 74 5102 1 . MET 75 75 5102 1 . GLU 76 76 5102 1 . GLN 77 77 5102 1 . ARG 78 78 5102 1 . LYS 79 79 5102 1 . LEU 80 80 5102 1 . ASN 81 81 5102 1 . ASP 82 82 5102 1 . GLN 83 83 5102 1 . ALA 84 84 5102 1 . ASN 85 85 5102 1 . THR 86 86 5102 1 . LEU 87 87 5102 1 . VAL 88 88 5102 1 . ASP 89 89 5102 1 . LEU 90 90 5102 1 . ALA 91 91 5102 1 . LYS 92 92 5102 1 . THR 93 93 5102 1 . GLN 94 94 5102 1 . LEU 95 95 5102 1 . GLU 96 96 5102 1 . HIS 97 97 5102 1 . HIS 98 98 5102 1 . HIS 99 99 5102 1 . HIS 100 100 5102 1 . HIS 101 101 5102 1 . HIS 102 102 5102 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 5102 _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 $CaMBD . 10116 . . 'Rattus norvegicus' 'Norway rat' . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . . . . . . . . . 5102 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 5102 _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 $CaMBD . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . plasmid . . pET23B . . . . . . 5102 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5102 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'SK2 calmodulin binding domain' '[U-98% 15N]' . . 1 $CaMBD . . . 0.5 1.2 mM . . . . 5102 1 2 NaCl . . . . . . . 250 . . mM . . . . 5102 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5102 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'SK2 calmodulin binding domain' '[U-98% 13C; U-98% 15N]' . . 1 $CaMBD . . . 0.5 1.0 mM . . . . 5102 2 2 NaCl . . . . . . . 250 . . mM . . . . 5102 2 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 5102 _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' 0.25 0.02 M 5102 1 pH 3.5 0.1 na 5102 1 temperature 298 1 K 5102 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5102 _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_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5102 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Bruker Avance . 600 . . . 5102 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 5102 _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 '1H-15N NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5102 1 2 '1H-15N TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5102 1 3 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5102 1 4 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5102 1 5 HN(CA)CO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5102 1 6 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5102 1 7 HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5102 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5102 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5102 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H-15N TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5102 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5102 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5102 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HN(CA)CO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5102 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5102 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HNHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5102 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5102 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.000000000 . . . . . . . . . 5102 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5102 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5102 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '1H-15N NOESY' . . . 5102 1 2 '1H-15N TOCSY' . . . 5102 1 3 HNCA . . . 5102 1 4 HNCO . . . 5102 1 5 HN(CA)CO . . . 5102 1 6 CBCA(CO)NH . . . 5102 1 7 HNHA . . . 5102 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 2 2 GLY HA2 H 1 3.87 0.02 . 1 . . . . . . . . 5102 1 2 . 1 1 2 2 GLY HA3 H 1 3.87 0.02 . 1 . . . . . . . . 5102 1 3 . 1 1 3 3 ARG N N 15 121.1 0.1 . 1 . . . . . . . . 5102 1 4 . 1 1 3 3 ARG H H 1 8.62 0.02 . 1 . . . . . . . . 5102 1 5 . 1 1 3 3 ARG HA H 1 4.38 0.02 . 1 . . . . . . . . 5102 1 6 . 1 1 3 3 ARG HB2 H 1 1.77 0.02 . 1 . . . . . . . . 5102 1 7 . 1 1 3 3 ARG HB3 H 1 1.77 0.02 . 1 . . . . . . . . 5102 1 8 . 1 1 4 4 LYS N N 15 123.8 0.1 . 1 . . . . . . . . 5102 1 9 . 1 1 4 4 LYS H H 1 8.52 0.02 . 1 . . . . . . . . 5102 1 10 . 1 1 4 4 LYS HA H 1 4.26 0.02 . 1 . . . . . . . . 5102 1 11 . 1 1 4 4 LYS HB2 H 1 1.81 0.02 . 2 . . . . . . . . 5102 1 12 . 1 1 4 4 LYS HB3 H 1 1.72 0.02 . 2 . . . . . . . . 5102 1 13 . 1 1 4 4 LYS HG2 H 1 1.45 0.02 . 1 . . . . . . . . 5102 1 14 . 1 1 4 4 LYS HG3 H 1 1.45 0.02 . 1 . . . . . . . . 5102 1 15 . 1 1 5 5 LEU N N 15 124.6 0.1 . 1 . . . . . . . . 5102 1 16 . 1 1 5 5 LEU H H 1 8.36 0.02 . 1 . . . . . . . . 5102 1 17 . 1 1 5 5 LEU HA H 1 4.32 0.02 . 1 . . . . . . . . 5102 1 18 . 1 1 5 5 LEU HB2 H 1 1.59 0.02 . 1 . . . . . . . . 5102 1 19 . 1 1 5 5 LEU HB3 H 1 1.59 0.02 . 1 . . . . . . . . 5102 1 20 . 1 1 6 6 GLU N N 15 122.6 0.1 . 1 . . . . . . . . 5102 1 21 . 1 1 6 6 GLU H H 1 8.40 0.02 . 1 . . . . . . . . 5102 1 22 . 1 1 6 6 GLU HA H 1 4.31 0.02 . 1 . . . . . . . . 5102 1 23 . 1 1 6 6 GLU HB2 H 1 2.03 0.02 . 2 . . . . . . . . 5102 1 24 . 1 1 6 6 GLU HB3 H 1 1.93 0.02 . 2 . . . . . . . . 5102 1 25 . 1 1 6 6 GLU HG2 H 1 2.35 0.02 . 1 . . . . . . . . 5102 1 26 . 1 1 6 6 GLU HG3 H 1 2.35 0.02 . 1 . . . . . . . . 5102 1 27 . 1 1 7 7 LEU N N 15 123.9 0.1 . 1 . . . . . . . . 5102 1 28 . 1 1 7 7 LEU H H 1 8.35 0.02 . 1 . . . . . . . . 5102 1 29 . 1 1 7 7 LEU HA H 1 4.28 0.02 . 1 . . . . . . . . 5102 1 30 . 1 1 7 7 LEU HB2 H 1 1.63 0.02 . 1 . . . . . . . . 5102 1 31 . 1 1 7 7 LEU HB3 H 1 1.63 0.02 . 1 . . . . . . . . 5102 1 32 . 1 1 7 7 LEU HD11 H 1 0.86 0.02 . 1 . . . . . . . . 5102 1 33 . 1 1 7 7 LEU HD12 H 1 0.86 0.02 . 1 . . . . . . . . 5102 1 34 . 1 1 7 7 LEU HD13 H 1 0.86 0.02 . 1 . . . . . . . . 5102 1 35 . 1 1 7 7 LEU HD21 H 1 0.86 0.02 . 1 . . . . . . . . 5102 1 36 . 1 1 7 7 LEU HD22 H 1 0.86 0.02 . 1 . . . . . . . . 5102 1 37 . 1 1 7 7 LEU HD23 H 1 0.86 0.02 . 1 . . . . . . . . 5102 1 38 . 1 1 8 8 THR N N 15 114.8 0.1 . 1 . . . . . . . . 5102 1 39 . 1 1 8 8 THR H H 1 8.14 0.02 . 1 . . . . . . . . 5102 1 40 . 1 1 8 8 THR HA H 1 4.31 0.02 . 1 . . . . . . . . 5102 1 41 . 1 1 8 8 THR HB H 1 4.26 0.02 . 1 . . . . . . . . 5102 1 42 . 1 1 8 8 THR HG21 H 1 1.20 0.02 . 1 . . . . . . . . 5102 1 43 . 1 1 8 8 THR HG22 H 1 1.20 0.02 . 1 . . . . . . . . 5102 1 44 . 1 1 8 8 THR HG23 H 1 1.20 0.02 . 1 . . . . . . . . 5102 1 45 . 1 1 9 9 LYS N N 15 123.4 0.1 . 1 . . . . . . . . 5102 1 46 . 1 1 9 9 LYS H H 1 8.36 0.02 . 1 . . . . . . . . 5102 1 47 . 1 1 9 9 LYS HA H 1 4.22 0.02 . 1 . . . . . . . . 5102 1 48 . 1 1 9 9 LYS HB2 H 1 1.81 0.02 . 1 . . . . . . . . 5102 1 49 . 1 1 9 9 LYS HB3 H 1 1.81 0.02 . 1 . . . . . . . . 5102 1 50 . 1 1 9 9 LYS HG2 H 1 1.47 0.02 . 2 . . . . . . . . 5102 1 51 . 1 1 9 9 LYS HG3 H 1 1.37 0.02 . 2 . . . . . . . . 5102 1 52 . 1 1 9 9 LYS HD2 H 1 1.70 0.02 . 1 . . . . . . . . 5102 1 53 . 1 1 9 9 LYS HD3 H 1 1.70 0.02 . 1 . . . . . . . . 5102 1 54 . 1 1 10 10 ALA N N 15 124.5 0.1 . 1 . . . . . . . . 5102 1 55 . 1 1 10 10 ALA H H 1 8.25 0.02 . 1 . . . . . . . . 5102 1 56 . 1 1 10 10 ALA HA H 1 4.26 0.02 . 1 . . . . . . . . 5102 1 57 . 1 1 10 10 ALA HB1 H 1 1.37 0.02 . 1 . . . . . . . . 5102 1 58 . 1 1 10 10 ALA HB2 H 1 1.37 0.02 . 1 . . . . . . . . 5102 1 59 . 1 1 10 10 ALA HB3 H 1 1.37 0.02 . 1 . . . . . . . . 5102 1 60 . 1 1 11 11 GLU N N 15 119.7 0.1 . 1 . . . . . . . . 5102 1 61 . 1 1 11 11 GLU H H 1 8.17 0.02 . 1 . . . . . . . . 5102 1 62 . 1 1 11 11 GLU HA H 1 4.26 0.02 . 1 . . . . . . . . 5102 1 63 . 1 1 11 11 GLU HB2 H 1 1.98 0.02 . 1 . . . . . . . . 5102 1 64 . 1 1 11 11 GLU HB3 H 1 1.98 0.02 . 1 . . . . . . . . 5102 1 65 . 1 1 11 11 GLU HG2 H 1 2.38 0.02 . 1 . . . . . . . . 5102 1 66 . 1 1 11 11 GLU HG3 H 1 2.38 0.02 . 1 . . . . . . . . 5102 1 67 . 1 1 12 12 LYS N N 15 121.9 0.1 . 1 . . . . . . . . 5102 1 68 . 1 1 12 12 LYS H H 1 8.24 0.02 . 1 . . . . . . . . 5102 1 69 . 1 1 12 12 LYS HA H 1 4.21 0.02 . 1 . . . . . . . . 5102 1 70 . 1 1 12 12 LYS HB2 H 1 1.73 0.02 . 1 . . . . . . . . 5102 1 71 . 1 1 12 12 LYS HB3 H 1 1.73 0.02 . 1 . . . . . . . . 5102 1 72 . 1 1 12 12 LYS HG2 H 1 1.42 0.02 . 2 . . . . . . . . 5102 1 73 . 1 1 12 12 LYS HG3 H 1 1.33 0.02 . 2 . . . . . . . . 5102 1 74 . 1 1 12 12 LYS HD2 H 1 1.66 0.02 . 1 . . . . . . . . 5102 1 75 . 1 1 12 12 LYS HD3 H 1 1.66 0.02 . 1 . . . . . . . . 5102 1 76 . 1 1 13 13 HIS N N 15 120.1 0.1 . 1 . . . . . . . . 5102 1 77 . 1 1 13 13 HIS H H 1 8.55 0.02 . 1 . . . . . . . . 5102 1 78 . 1 1 13 13 HIS HA H 1 4.73 0.02 . 1 . . . . . . . . 5102 1 79 . 1 1 13 13 HIS HB2 H 1 3.28 0.02 . 2 . . . . . . . . 5102 1 80 . 1 1 13 13 HIS HB3 H 1 3.14 0.02 . 2 . . . . . . . . 5102 1 81 . 1 1 14 14 VAL N N 15 120.8 0.1 . 1 . . . . . . . . 5102 1 82 . 1 1 14 14 VAL H H 1 8.14 0.02 . 1 . . . . . . . . 5102 1 83 . 1 1 14 14 VAL HA H 1 4.06 0.02 . 1 . . . . . . . . 5102 1 84 . 1 1 14 14 VAL HB H 1 2.01 0.02 . 1 . . . . . . . . 5102 1 85 . 1 1 14 14 VAL HG11 H 1 0.86 0.02 . 1 . . . . . . . . 5102 1 86 . 1 1 14 14 VAL HG12 H 1 0.86 0.02 . 1 . . . . . . . . 5102 1 87 . 1 1 14 14 VAL HG13 H 1 0.86 0.02 . 1 . . . . . . . . 5102 1 88 . 1 1 14 14 VAL HG21 H 1 0.86 0.02 . 1 . . . . . . . . 5102 1 89 . 1 1 14 14 VAL HG22 H 1 0.86 0.02 . 1 . . . . . . . . 5102 1 90 . 1 1 14 14 VAL HG23 H 1 0.86 0.02 . 1 . . . . . . . . 5102 1 91 . 1 1 15 15 HIS N N 15 121.9 0.1 . 1 . . . . . . . . 5102 1 92 . 1 1 15 15 HIS H H 1 8.63 0.02 . 1 . . . . . . . . 5102 1 93 . 1 1 15 15 HIS HA H 1 4.69 0.02 . 1 . . . . . . . . 5102 1 94 . 1 1 15 15 HIS HB2 H 1 3.10 0.02 . 1 . . . . . . . . 5102 1 95 . 1 1 15 15 HIS HB3 H 1 3.10 0.02 . 1 . . . . . . . . 5102 1 96 . 1 1 16 16 ASN N N 15 121.0 0.1 . 1 . . . . . . . . 5102 1 97 . 1 1 16 16 ASN H H 1 8.43 0.02 . 1 . . . . . . . . 5102 1 98 . 1 1 16 16 ASN HA H 1 4.64 0.02 . 1 . . . . . . . . 5102 1 99 . 1 1 16 16 ASN HB2 H 1 2.75 0.02 . 2 . . . . . . . . 5102 1 100 . 1 1 16 16 ASN HB3 H 1 2.66 0.02 . 2 . . . . . . . . 5102 1 101 . 1 1 17 17 PHE N N 15 121.1 0.1 . 1 . . . . . . . . 5102 1 102 . 1 1 17 17 PHE H H 1 8.28 0.02 . 1 . . . . . . . . 5102 1 103 . 1 1 17 17 PHE HA H 1 4.54 0.02 . 1 . . . . . . . . 5102 1 104 . 1 1 17 17 PHE HB2 H 1 3.14 0.02 . 2 . . . . . . . . 5102 1 105 . 1 1 17 17 PHE HB3 H 1 2.91 0.02 . 2 . . . . . . . . 5102 1 106 . 1 1 18 18 MET N N 15 121.5 0.1 . 1 . . . . . . . . 5102 1 107 . 1 1 18 18 MET H H 1 8.24 0.02 . 1 . . . . . . . . 5102 1 108 . 1 1 18 18 MET HA H 1 4.39 0.02 . 1 . . . . . . . . 5102 1 109 . 1 1 18 18 MET HB2 H 1 2.06 0.02 . 2 . . . . . . . . 5102 1 110 . 1 1 18 18 MET HB3 H 1 1.95 0.02 . 2 . . . . . . . . 5102 1 111 . 1 1 18 18 MET HG2 H 1 2.47 0.02 . 2 . . . . . . . . 5102 1 112 . 1 1 18 18 MET HG3 H 1 2.38 0.02 . 2 . . . . . . . . 5102 1 113 . 1 1 19 19 MET N N 15 120.7 0.1 . 1 . . . . . . . . 5102 1 114 . 1 1 19 19 MET H H 1 8.18 0.02 . 1 . . . . . . . . 5102 1 115 . 1 1 19 19 MET HA H 1 4.39 0.02 . 1 . . . . . . . . 5102 1 116 . 1 1 19 19 MET HB2 H 1 2.07 0.02 . 2 . . . . . . . . 5102 1 117 . 1 1 19 19 MET HB3 H 1 1.97 0.02 . 2 . . . . . . . . 5102 1 118 . 1 1 19 19 MET HG2 H 1 2.56 0.02 . 2 . . . . . . . . 5102 1 119 . 1 1 19 19 MET HG3 H 1 2.47 0.02 . 2 . . . . . . . . 5102 1 120 . 1 1 20 20 ASP N N 15 120.7 0.1 . 1 . . . . . . . . 5102 1 121 . 1 1 20 20 ASP H H 1 8.40 0.02 . 1 . . . . . . . . 5102 1 122 . 1 1 20 20 ASP HA H 1 4.71 0.02 . 1 . . . . . . . . 5102 1 123 . 1 1 20 20 ASP HB2 H 1 2.87 0.02 . 2 . . . . . . . . 5102 1 124 . 1 1 20 20 ASP HB3 H 1 2.78 0.02 . 2 . . . . . . . . 5102 1 125 . 1 1 21 21 THR N N 15 114.6 0.1 . 1 . . . . . . . . 5102 1 126 . 1 1 21 21 THR H H 1 8.13 0.02 . 1 . . . . . . . . 5102 1 127 . 1 1 21 21 THR HA H 1 4.39 0.02 . 1 . . . . . . . . 5102 1 128 . 1 1 21 21 THR HB H 1 4.26 0.02 . 1 . . . . . . . . 5102 1 129 . 1 1 21 21 THR HG21 H 1 1.20 0.02 . 1 . . . . . . . . 5102 1 130 . 1 1 21 21 THR HG22 H 1 1.20 0.02 . 1 . . . . . . . . 5102 1 131 . 1 1 21 21 THR HG23 H 1 1.20 0.02 . 1 . . . . . . . . 5102 1 132 . 1 1 22 22 GLN N N 15 122.2 0.1 . 1 . . . . . . . . 5102 1 133 . 1 1 22 22 GLN H H 1 8.42 0.02 . 1 . . . . . . . . 5102 1 134 . 1 1 22 22 GLN HA H 1 4.33 0.02 . 1 . . . . . . . . 5102 1 135 . 1 1 22 22 GLN HB2 H 1 2.06 0.02 . 2 . . . . . . . . 5102 1 136 . 1 1 22 22 GLN HB3 H 1 1.93 0.02 . 2 . . . . . . . . 5102 1 137 . 1 1 22 22 GLN HG2 H 1 2.37 0.02 . 1 . . . . . . . . 5102 1 138 . 1 1 22 22 GLN HG3 H 1 2.37 0.02 . 1 . . . . . . . . 5102 1 139 . 1 1 23 23 LEU N N 15 122.4 0.1 . 1 . . . . . . . . 5102 1 140 . 1 1 23 23 LEU H H 1 8.17 0.02 . 1 . . . . . . . . 5102 1 141 . 1 1 23 23 LEU HA H 1 4.31 0.02 . 1 . . . . . . . . 5102 1 142 . 1 1 23 23 LEU HB2 H 1 1.67 0.02 . 1 . . . . . . . . 5102 1 143 . 1 1 23 23 LEU HB3 H 1 1.67 0.02 . 1 . . . . . . . . 5102 1 144 . 1 1 23 23 LEU HG H 1 1.61 0.02 . 1 . . . . . . . . 5102 1 145 . 1 1 23 23 LEU HD11 H 1 0.89 0.02 . 1 . . . . . . . . 5102 1 146 . 1 1 23 23 LEU HD12 H 1 0.89 0.02 . 1 . . . . . . . . 5102 1 147 . 1 1 23 23 LEU HD13 H 1 0.89 0.02 . 1 . . . . . . . . 5102 1 148 . 1 1 23 23 LEU HD21 H 1 0.89 0.02 . 1 . . . . . . . . 5102 1 149 . 1 1 23 23 LEU HD22 H 1 0.89 0.02 . 1 . . . . . . . . 5102 1 150 . 1 1 23 23 LEU HD23 H 1 0.89 0.02 . 1 . . . . . . . . 5102 1 151 . 1 1 24 24 THR N N 15 114.3 0.1 . 1 . . . . . . . . 5102 1 152 . 1 1 24 24 THR H H 1 8.00 0.02 . 1 . . . . . . . . 5102 1 153 . 1 1 24 24 THR HA H 1 4.25 0.02 . 1 . . . . . . . . 5102 1 154 . 1 1 24 24 THR HG21 H 1 1.19 0.02 . 1 . . . . . . . . 5102 1 155 . 1 1 24 24 THR HG22 H 1 1.19 0.02 . 1 . . . . . . . . 5102 1 156 . 1 1 24 24 THR HG23 H 1 1.19 0.02 . 1 . . . . . . . . 5102 1 157 . 1 1 25 25 LYS N N 15 123.4 0.1 . 1 . . . . . . . . 5102 1 158 . 1 1 25 25 LYS H H 1 8.20 0.02 . 1 . . . . . . . . 5102 1 159 . 1 1 25 25 LYS HA H 1 4.29 0.02 . 1 . . . . . . . . 5102 1 160 . 1 1 25 25 LYS HB2 H 1 1.82 0.02 . 2 . . . . . . . . 5102 1 161 . 1 1 25 25 LYS HB3 H 1 1.73 0.02 . 2 . . . . . . . . 5102 1 162 . 1 1 25 25 LYS HG2 H 1 1.39 0.02 . 1 . . . . . . . . 5102 1 163 . 1 1 25 25 LYS HG3 H 1 1.39 0.02 . 1 . . . . . . . . 5102 1 164 . 1 1 25 25 LYS HD2 H 1 1.53 0.02 . 1 . . . . . . . . 5102 1 165 . 1 1 25 25 LYS HD3 H 1 1.53 0.02 . 1 . . . . . . . . 5102 1 166 . 1 1 26 26 ARG N N 15 121.1 0.1 . 1 . . . . . . . . 5102 1 167 . 1 1 26 26 ARG H H 1 8.12 0.02 . 1 . . . . . . . . 5102 1 168 . 1 1 26 26 ARG HA H 1 4.29 0.02 . 1 . . . . . . . . 5102 1 169 . 1 1 26 26 ARG HB2 H 1 1.82 0.02 . 2 . . . . . . . . 5102 1 170 . 1 1 26 26 ARG HB3 H 1 1.72 0.02 . 2 . . . . . . . . 5102 1 171 . 1 1 26 26 ARG HG2 H 1 1.57 0.02 . 1 . . . . . . . . 5102 1 172 . 1 1 26 26 ARG HG3 H 1 1.57 0.02 . 1 . . . . . . . . 5102 1 173 . 1 1 27 27 VAL N N 15 121.5 0.1 . 1 . . . . . . . . 5102 1 174 . 1 1 27 27 VAL H H 1 8.16 0.02 . 1 . . . . . . . . 5102 1 175 . 1 1 27 27 VAL HA H 1 4.08 0.02 . 1 . . . . . . . . 5102 1 176 . 1 1 27 27 VAL HB H 1 2.06 0.02 . 1 . . . . . . . . 5102 1 177 . 1 1 27 27 VAL HG11 H 1 0.91 0.02 . 2 . . . . . . . . 5102 1 178 . 1 1 27 27 VAL HG12 H 1 0.91 0.02 . 2 . . . . . . . . 5102 1 179 . 1 1 27 27 VAL HG13 H 1 0.91 0.02 . 2 . . . . . . . . 5102 1 180 . 1 1 27 27 VAL HG21 H 1 0.79 0.02 . 2 . . . . . . . . 5102 1 181 . 1 1 27 27 VAL HG22 H 1 0.79 0.02 . 2 . . . . . . . . 5102 1 182 . 1 1 27 27 VAL HG23 H 1 0.79 0.02 . 2 . . . . . . . . 5102 1 183 . 1 1 28 28 LYS N N 15 125.0 0.1 . 1 . . . . . . . . 5102 1 184 . 1 1 28 28 LYS H H 1 8.42 0.02 . 1 . . . . . . . . 5102 1 185 . 1 1 28 28 LYS HA H 1 4.25 0.02 . 1 . . . . . . . . 5102 1 186 . 1 1 28 28 LYS HB2 H 1 1.79 0.02 . 2 . . . . . . . . 5102 1 187 . 1 1 28 28 LYS HB3 H 1 1.69 0.02 . 2 . . . . . . . . 5102 1 188 . 1 1 28 28 LYS HD2 H 1 1.40 0.02 . 1 . . . . . . . . 5102 1 189 . 1 1 28 28 LYS HD3 H 1 1.40 0.02 . 1 . . . . . . . . 5102 1 190 . 1 1 29 29 ASN N N 15 120.1 0.1 . 1 . . . . . . . . 5102 1 191 . 1 1 29 29 ASN H H 1 8.43 0.02 . 1 . . . . . . . . 5102 1 192 . 1 1 29 29 ASN HA H 1 4.64 0.02 . 1 . . . . . . . . 5102 1 193 . 1 1 29 29 ASN HB2 H 1 2.82 0.02 . 2 . . . . . . . . 5102 1 194 . 1 1 29 29 ASN HB3 H 1 2.76 0.02 . 2 . . . . . . . . 5102 1 195 . 1 1 30 30 ALA N N 15 124.9 0.1 . 1 . . . . . . . . 5102 1 196 . 1 1 30 30 ALA H H 1 8.30 0.02 . 1 . . . . . . . . 5102 1 197 . 1 1 30 30 ALA HA H 1 4.25 0.02 . 1 . . . . . . . . 5102 1 198 . 1 1 30 30 ALA HB1 H 1 1.40 0.02 . 1 . . . . . . . . 5102 1 199 . 1 1 30 30 ALA HB2 H 1 1.40 0.02 . 1 . . . . . . . . 5102 1 200 . 1 1 30 30 ALA HB3 H 1 1.40 0.02 . 1 . . . . . . . . 5102 1 201 . 1 1 31 31 ALA N N 15 122.8 0.1 . 1 . . . . . . . . 5102 1 202 . 1 1 31 31 ALA H H 1 8.23 0.02 . 1 . . . . . . . . 5102 1 203 . 1 1 31 31 ALA HA H 1 4.29 0.02 . 1 . . . . . . . . 5102 1 204 . 1 1 31 31 ALA HB1 H 1 1.38 0.02 . 1 . . . . . . . . 5102 1 205 . 1 1 31 31 ALA HB2 H 1 1.38 0.02 . 1 . . . . . . . . 5102 1 206 . 1 1 31 31 ALA HB3 H 1 1.38 0.02 . 1 . . . . . . . . 5102 1 207 . 1 1 32 32 ALA N N 15 122.4 0.1 . 1 . . . . . . . . 5102 1 208 . 1 1 32 32 ALA H H 1 8.13 0.02 . 1 . . . . . . . . 5102 1 209 . 1 1 32 32 ALA HA H 1 4.23 0.02 . 1 . . . . . . . . 5102 1 210 . 1 1 32 32 ALA HB1 H 1 1.39 0.02 . 1 . . . . . . . . 5102 1 211 . 1 1 32 32 ALA HB2 H 1 1.39 0.02 . 1 . . . . . . . . 5102 1 212 . 1 1 32 32 ALA HB3 H 1 1.39 0.02 . 1 . . . . . . . . 5102 1 213 . 1 1 33 33 ASN N N 15 117.4 0.1 . 1 . . . . . . . . 5102 1 214 . 1 1 33 33 ASN H H 1 8.27 0.02 . 1 . . . . . . . . 5102 1 215 . 1 1 33 33 ASN HA H 1 4.65 0.02 . 1 . . . . . . . . 5102 1 216 . 1 1 33 33 ASN HB2 H 1 2.79 0.02 . 1 . . . . . . . . 5102 1 217 . 1 1 33 33 ASN HB3 H 1 2.79 0.02 . 1 . . . . . . . . 5102 1 218 . 1 1 34 34 VAL N N 15 120.3 0.1 . 1 . . . . . . . . 5102 1 219 . 1 1 34 34 VAL H H 1 7.94 0.02 . 1 . . . . . . . . 5102 1 220 . 1 1 34 34 VAL HA H 1 4.02 0.02 . 1 . . . . . . . . 5102 1 221 . 1 1 34 34 VAL HB H 1 2.11 0.02 . 1 . . . . . . . . 5102 1 222 . 1 1 34 34 VAL HG11 H 1 0.91 0.02 . 2 . . . . . . . . 5102 1 223 . 1 1 34 34 VAL HG12 H 1 0.91 0.02 . 2 . . . . . . . . 5102 1 224 . 1 1 34 34 VAL HG13 H 1 0.91 0.02 . 2 . . . . . . . . 5102 1 225 . 1 1 34 34 VAL HG21 H 1 0.79 0.02 . 2 . . . . . . . . 5102 1 226 . 1 1 34 34 VAL HG22 H 1 0.79 0.02 . 2 . . . . . . . . 5102 1 227 . 1 1 34 34 VAL HG23 H 1 0.79 0.02 . 2 . . . . . . . . 5102 1 228 . 1 1 35 35 LEU N N 15 124.5 0.1 . 1 . . . . . . . . 5102 1 229 . 1 1 35 35 LEU H H 1 8.15 0.02 . 1 . . . . . . . . 5102 1 230 . 1 1 35 35 LEU HA H 1 4.30 0.02 . 1 . . . . . . . . 5102 1 231 . 1 1 35 35 LEU HB2 H 1 1.69 0.02 . 2 . . . . . . . . 5102 1 232 . 1 1 35 35 LEU HB3 H 1 1.60 0.02 . 2 . . . . . . . . 5102 1 233 . 1 1 35 35 LEU HD11 H 1 0.91 0.02 . 2 . . . . . . . . 5102 1 234 . 1 1 35 35 LEU HD12 H 1 0.91 0.02 . 2 . . . . . . . . 5102 1 235 . 1 1 35 35 LEU HD13 H 1 0.91 0.02 . 2 . . . . . . . . 5102 1 236 . 1 1 36 36 ARG N N 15 122.2 0.1 . 1 . . . . . . . . 5102 1 237 . 1 1 36 36 ARG H H 1 8.26 0.02 . 1 . . . . . . . . 5102 1 238 . 1 1 36 36 ARG HA H 1 4.24 0.02 . 1 . . . . . . . . 5102 1 239 . 1 1 36 36 ARG HB2 H 1 1.79 0.02 . 2 . . . . . . . . 5102 1 240 . 1 1 36 36 ARG HB3 H 1 1.68 0.02 . 2 . . . . . . . . 5102 1 241 . 1 1 36 36 ARG HG2 H 1 1.57 0.02 . 1 . . . . . . . . 5102 1 242 . 1 1 36 36 ARG HG3 H 1 1.57 0.02 . 1 . . . . . . . . 5102 1 243 . 1 1 37 37 GLU N N 15 120.4 0.1 . 1 . . . . . . . . 5102 1 244 . 1 1 37 37 GLU H H 1 8.22 0.02 . 1 . . . . . . . . 5102 1 245 . 1 1 37 37 GLU HA H 1 4.17 0.02 . 1 . . . . . . . . 5102 1 246 . 1 1 37 37 GLU HB2 H 1 1.87 0.02 . 2 . . . . . . . . 5102 1 247 . 1 1 37 37 GLU HB3 H 1 1.75 0.02 . 2 . . . . . . . . 5102 1 248 . 1 1 37 37 GLU HG2 H 1 2.34 0.02 . 1 . . . . . . . . 5102 1 249 . 1 1 37 37 GLU HG3 H 1 2.34 0.02 . 1 . . . . . . . . 5102 1 250 . 1 1 38 38 THR N N 15 114.3 0.1 . 1 . . . . . . . . 5102 1 251 . 1 1 38 38 THR H H 1 8.03 0.02 . 1 . . . . . . . . 5102 1 252 . 1 1 38 38 THR HA H 1 4.21 0.02 . 1 . . . . . . . . 5102 1 253 . 1 1 38 38 THR HB H 1 4.12 0.02 . 1 . . . . . . . . 5102 1 254 . 1 1 38 38 THR HG21 H 1 1.16 0.02 . 1 . . . . . . . . 5102 1 255 . 1 1 38 38 THR HG22 H 1 1.16 0.02 . 1 . . . . . . . . 5102 1 256 . 1 1 38 38 THR HG23 H 1 1.16 0.02 . 1 . . . . . . . . 5102 1 257 . 1 1 39 39 TRP N N 15 121.8 0.1 . 1 . . . . . . . . 5102 1 258 . 1 1 39 39 TRP H H 1 7.90 0.02 . 1 . . . . . . . . 5102 1 259 . 1 1 39 39 TRP HA H 1 4.67 0.02 . 1 . . . . . . . . 5102 1 260 . 1 1 39 39 TRP HB2 H 1 3.32 0.02 . 1 . . . . . . . . 5102 1 261 . 1 1 39 39 TRP HB3 H 1 3.32 0.02 . 1 . . . . . . . . 5102 1 262 . 1 1 40 40 LEU N N 15 122.1 0.1 . 1 . . . . . . . . 5102 1 263 . 1 1 40 40 LEU H H 1 7.82 0.02 . 1 . . . . . . . . 5102 1 264 . 1 1 40 40 LEU HA H 1 4.15 0.02 . 1 . . . . . . . . 5102 1 265 . 1 1 40 40 LEU HB2 H 1 1.51 0.02 . 2 . . . . . . . . 5102 1 266 . 1 1 40 40 LEU HB3 H 1 1.40 0.02 . 2 . . . . . . . . 5102 1 267 . 1 1 40 40 LEU HD11 H 1 0.81 0.02 . 1 . . . . . . . . 5102 1 268 . 1 1 40 40 LEU HD12 H 1 0.81 0.02 . 1 . . . . . . . . 5102 1 269 . 1 1 40 40 LEU HD13 H 1 0.81 0.02 . 1 . . . . . . . . 5102 1 270 . 1 1 40 40 LEU HD21 H 1 0.81 0.02 . 1 . . . . . . . . 5102 1 271 . 1 1 40 40 LEU HD22 H 1 0.81 0.02 . 1 . . . . . . . . 5102 1 272 . 1 1 40 40 LEU HD23 H 1 0.81 0.02 . 1 . . . . . . . . 5102 1 273 . 1 1 41 41 ILE N N 15 119.8 0.1 . 1 . . . . . . . . 5102 1 274 . 1 1 41 41 ILE H H 1 7.77 0.02 . 1 . . . . . . . . 5102 1 275 . 1 1 41 41 ILE HA H 1 4.01 0.02 . 1 . . . . . . . . 5102 1 276 . 1 1 41 41 ILE HB H 1 1.76 0.02 . 1 . . . . . . . . 5102 1 277 . 1 1 41 41 ILE HG21 H 1 1.09 0.02 . 1 . . . . . . . . 5102 1 278 . 1 1 41 41 ILE HG22 H 1 1.09 0.02 . 1 . . . . . . . . 5102 1 279 . 1 1 41 41 ILE HG23 H 1 1.09 0.02 . 1 . . . . . . . . 5102 1 280 . 1 1 41 41 ILE HG12 H 1 1.39 0.02 . 2 . . . . . . . . 5102 1 281 . 1 1 41 41 ILE HG13 H 1 1.17 0.02 . 2 . . . . . . . . 5102 1 282 . 1 1 41 41 ILE HD11 H 1 0.76 0.02 . 1 . . . . . . . . 5102 1 283 . 1 1 41 41 ILE HD12 H 1 0.76 0.02 . 1 . . . . . . . . 5102 1 284 . 1 1 41 41 ILE HD13 H 1 0.76 0.02 . 1 . . . . . . . . 5102 1 285 . 1 1 42 42 TYR N N 15 123.2 0.1 . 1 . . . . . . . . 5102 1 286 . 1 1 42 42 TYR H H 1 8.10 0.02 . 1 . . . . . . . . 5102 1 287 . 1 1 42 42 TYR HA H 1 4.53 0.02 . 1 . . . . . . . . 5102 1 288 . 1 1 42 42 TYR HB2 H 1 3.05 0.02 . 2 . . . . . . . . 5102 1 289 . 1 1 42 42 TYR HB3 H 1 2.92 0.02 . 2 . . . . . . . . 5102 1 290 . 1 1 42 42 TYR HD1 H 1 7.08 0.02 . 1 . . . . . . . . 5102 1 291 . 1 1 42 42 TYR HD2 H 1 7.08 0.02 . 1 . . . . . . . . 5102 1 292 . 1 1 43 43 LYS N N 15 122.4 0.1 . 1 . . . . . . . . 5102 1 293 . 1 1 43 43 LYS H H 1 8.15 0.02 . 1 . . . . . . . . 5102 1 294 . 1 1 43 43 LYS HA H 1 4.12 0.02 . 1 . . . . . . . . 5102 1 295 . 1 1 43 43 LYS HB2 H 1 1.70 0.02 . 1 . . . . . . . . 5102 1 296 . 1 1 43 43 LYS HB3 H 1 1.70 0.02 . 1 . . . . . . . . 5102 1 297 . 1 1 43 43 LYS HG2 H 1 1.28 0.02 . 1 . . . . . . . . 5102 1 298 . 1 1 43 43 LYS HG3 H 1 1.28 0.02 . 1 . . . . . . . . 5102 1 299 . 1 1 43 43 LYS HD2 H 1 1.61 0.02 . 1 . . . . . . . . 5102 1 300 . 1 1 43 43 LYS HD3 H 1 1.61 0.02 . 1 . . . . . . . . 5102 1 301 . 1 1 44 44 ASN N N 15 119.1 0.1 . 1 . . . . . . . . 5102 1 302 . 1 1 44 44 ASN H H 1 8.30 0.02 . 1 . . . . . . . . 5102 1 303 . 1 1 44 44 ASN HA H 1 4.71 0.02 . 1 . . . . . . . . 5102 1 304 . 1 1 44 44 ASN HB2 H 1 2.89 0.02 . 2 . . . . . . . . 5102 1 305 . 1 1 44 44 ASN HB3 H 1 2.77 0.02 . 2 . . . . . . . . 5102 1 306 . 1 1 45 45 THR N N 15 114.8 0.1 . 1 . . . . . . . . 5102 1 307 . 1 1 45 45 THR H H 1 8.09 0.02 . 1 . . . . . . . . 5102 1 308 . 1 1 45 45 THR HA H 1 4.25 0.02 . 1 . . . . . . . . 5102 1 309 . 1 1 45 45 THR HB H 1 4.20 0.02 . 1 . . . . . . . . 5102 1 310 . 1 1 45 45 THR HG21 H 1 1.20 0.02 . 1 . . . . . . . . 5102 1 311 . 1 1 45 45 THR HG22 H 1 1.20 0.02 . 1 . . . . . . . . 5102 1 312 . 1 1 45 45 THR HG23 H 1 1.20 0.02 . 1 . . . . . . . . 5102 1 313 . 1 1 46 46 LYS N N 15 123.1 0.1 . 1 . . . . . . . . 5102 1 314 . 1 1 46 46 LYS H H 1 8.23 0.02 . 1 . . . . . . . . 5102 1 315 . 1 1 46 46 LYS HA H 1 4.28 0.02 . 1 . . . . . . . . 5102 1 316 . 1 1 46 46 LYS HB2 H 1 1.77 0.02 . 1 . . . . . . . . 5102 1 317 . 1 1 46 46 LYS HB3 H 1 1.77 0.02 . 1 . . . . . . . . 5102 1 318 . 1 1 46 46 LYS HG2 H 1 1.37 0.02 . 1 . . . . . . . . 5102 1 319 . 1 1 46 46 LYS HG3 H 1 1.37 0.02 . 1 . . . . . . . . 5102 1 320 . 1 1 46 46 LYS HD2 H 1 1.67 0.02 . 1 . . . . . . . . 5102 1 321 . 1 1 46 46 LYS HD3 H 1 1.67 0.02 . 1 . . . . . . . . 5102 1 322 . 1 1 47 47 LEU N N 15 123.2 0.1 . 1 . . . . . . . . 5102 1 323 . 1 1 47 47 LEU H H 1 8.10 0.02 . 1 . . . . . . . . 5102 1 324 . 1 1 47 47 LEU HA H 1 4.30 0.02 . 1 . . . . . . . . 5102 1 325 . 1 1 47 47 LEU HB2 H 1 1.64 0.02 . 1 . . . . . . . . 5102 1 326 . 1 1 47 47 LEU HB3 H 1 1.64 0.02 . 1 . . . . . . . . 5102 1 327 . 1 1 47 47 LEU HG H 1 1.57 0.02 . 1 . . . . . . . . 5102 1 328 . 1 1 47 47 LEU HD11 H 1 0.87 0.02 . 1 . . . . . . . . 5102 1 329 . 1 1 47 47 LEU HD12 H 1 0.87 0.02 . 1 . . . . . . . . 5102 1 330 . 1 1 47 47 LEU HD13 H 1 0.87 0.02 . 1 . . . . . . . . 5102 1 331 . 1 1 47 47 LEU HD21 H 1 0.87 0.02 . 1 . . . . . . . . 5102 1 332 . 1 1 47 47 LEU HD22 H 1 0.87 0.02 . 1 . . . . . . . . 5102 1 333 . 1 1 47 47 LEU HD23 H 1 0.87 0.02 . 1 . . . . . . . . 5102 1 334 . 1 1 48 48 VAL N N 15 122.0 0.1 . 1 . . . . . . . . 5102 1 335 . 1 1 48 48 VAL H H 1 8.09 0.02 . 1 . . . . . . . . 5102 1 336 . 1 1 48 48 VAL HA H 1 4.05 0.02 . 1 . . . . . . . . 5102 1 337 . 1 1 48 48 VAL HB H 1 2.02 0.02 . 1 . . . . . . . . 5102 1 338 . 1 1 48 48 VAL HG11 H 1 0.89 0.02 . 2 . . . . . . . . 5102 1 339 . 1 1 48 48 VAL HG12 H 1 0.89 0.02 . 2 . . . . . . . . 5102 1 340 . 1 1 48 48 VAL HG13 H 1 0.89 0.02 . 2 . . . . . . . . 5102 1 341 . 1 1 48 48 VAL HG21 H 1 0.78 0.02 . 2 . . . . . . . . 5102 1 342 . 1 1 48 48 VAL HG22 H 1 0.78 0.02 . 2 . . . . . . . . 5102 1 343 . 1 1 48 48 VAL HG23 H 1 0.78 0.02 . 2 . . . . . . . . 5102 1 344 . 1 1 49 49 LYS N N 15 125.7 0.1 . 1 . . . . . . . . 5102 1 345 . 1 1 49 49 LYS H H 1 8.34 0.02 . 1 . . . . . . . . 5102 1 346 . 1 1 49 49 LYS HA H 1 4.31 0.02 . 1 . . . . . . . . 5102 1 347 . 1 1 49 49 LYS HB2 H 1 1.75 0.02 . 1 . . . . . . . . 5102 1 348 . 1 1 49 49 LYS HB3 H 1 1.75 0.02 . 1 . . . . . . . . 5102 1 349 . 1 1 49 49 LYS HG2 H 1 1.40 0.02 . 1 . . . . . . . . 5102 1 350 . 1 1 49 49 LYS HG3 H 1 1.40 0.02 . 1 . . . . . . . . 5102 1 351 . 1 1 49 49 LYS HD2 H 1 1.67 0.02 . 1 . . . . . . . . 5102 1 352 . 1 1 49 49 LYS HD3 H 1 1.67 0.02 . 1 . . . . . . . . 5102 1 353 . 1 1 50 50 LYS N N 15 123.8 0.1 . 1 . . . . . . . . 5102 1 354 . 1 1 50 50 LYS H H 1 8.34 0.02 . 1 . . . . . . . . 5102 1 355 . 1 1 50 50 LYS HA H 1 4.30 0.02 . 1 . . . . . . . . 5102 1 356 . 1 1 50 50 LYS HB2 H 1 1.75 0.02 . 1 . . . . . . . . 5102 1 357 . 1 1 50 50 LYS HB3 H 1 1.75 0.02 . 1 . . . . . . . . 5102 1 358 . 1 1 50 50 LYS HG2 H 1 1.46 0.02 . 2 . . . . . . . . 5102 1 359 . 1 1 50 50 LYS HG3 H 1 1.36 0.02 . 2 . . . . . . . . 5102 1 360 . 1 1 50 50 LYS HD2 H 1 1.65 0.02 . 1 . . . . . . . . 5102 1 361 . 1 1 50 50 LYS HD3 H 1 1.65 0.02 . 1 . . . . . . . . 5102 1 362 . 1 1 51 51 ILE N N 15 122.9 0.1 . 1 . . . . . . . . 5102 1 363 . 1 1 51 51 ILE H H 1 8.23 0.02 . 1 . . . . . . . . 5102 1 364 . 1 1 51 51 ILE HA H 1 4.09 0.02 . 1 . . . . . . . . 5102 1 365 . 1 1 51 51 ILE HB H 1 1.76 0.02 . 1 . . . . . . . . 5102 1 366 . 1 1 51 51 ILE HG12 H 1 1.38 0.02 . 2 . . . . . . . . 5102 1 367 . 1 1 51 51 ILE HG13 H 1 1.14 0.02 . 2 . . . . . . . . 5102 1 368 . 1 1 51 51 ILE HD11 H 1 0.76 0.02 . 1 . . . . . . . . 5102 1 369 . 1 1 51 51 ILE HD12 H 1 0.76 0.02 . 1 . . . . . . . . 5102 1 370 . 1 1 51 51 ILE HD13 H 1 0.76 0.02 . 1 . . . . . . . . 5102 1 371 . 1 1 52 52 ASP N N 15 124.5 0.1 . 1 . . . . . . . . 5102 1 372 . 1 1 52 52 ASP H H 1 8.45 0.02 . 1 . . . . . . . . 5102 1 373 . 1 1 52 52 ASP HA H 1 4.61 0.02 . 1 . . . . . . . . 5102 1 374 . 1 1 52 52 ASP HB2 H 1 2.73 0.02 . 2 . . . . . . . . 5102 1 375 . 1 1 52 52 ASP HB3 H 1 2.64 0.02 . 2 . . . . . . . . 5102 1 376 . 1 1 53 53 HIS N N 15 120.1 0.1 . 1 . . . . . . . . 5102 1 377 . 1 1 53 53 HIS H H 1 8.53 0.02 . 1 . . . . . . . . 5102 1 378 . 1 1 53 53 HIS HA H 1 4.65 0.02 . 1 . . . . . . . . 5102 1 379 . 1 1 53 53 HIS HB2 H 1 3.29 0.02 . 2 . . . . . . . . 5102 1 380 . 1 1 53 53 HIS HB3 H 1 3.16 0.02 . 2 . . . . . . . . 5102 1 381 . 1 1 54 54 ALA N N 15 124.6 0.1 . 1 . . . . . . . . 5102 1 382 . 1 1 54 54 ALA H H 1 8.34 0.02 . 1 . . . . . . . . 5102 1 383 . 1 1 54 54 ALA HA H 1 4.44 0.02 . 1 . . . . . . . . 5102 1 384 . 1 1 54 54 ALA HB1 H 1 1.38 0.02 . 1 . . . . . . . . 5102 1 385 . 1 1 54 54 ALA HB2 H 1 1.38 0.02 . 1 . . . . . . . . 5102 1 386 . 1 1 54 54 ALA HB3 H 1 1.38 0.02 . 1 . . . . . . . . 5102 1 387 . 1 1 55 55 LYS N N 15 121.0 0.1 . 1 . . . . . . . . 5102 1 388 . 1 1 55 55 LYS H H 1 8.28 0.02 . 1 . . . . . . . . 5102 1 389 . 1 1 55 55 LYS HA H 1 4.28 0.02 . 1 . . . . . . . . 5102 1 390 . 1 1 55 55 LYS HB2 H 1 1.78 0.02 . 1 . . . . . . . . 5102 1 391 . 1 1 55 55 LYS HB3 H 1 1.78 0.02 . 1 . . . . . . . . 5102 1 392 . 1 1 55 55 LYS HG2 H 1 1.44 0.02 . 1 . . . . . . . . 5102 1 393 . 1 1 55 55 LYS HG3 H 1 1.44 0.02 . 1 . . . . . . . . 5102 1 394 . 1 1 55 55 LYS HD2 H 1 1.70 0.02 . 1 . . . . . . . . 5102 1 395 . 1 1 55 55 LYS HD3 H 1 1.70 0.02 . 1 . . . . . . . . 5102 1 396 . 1 1 56 56 VAL N N 15 122.1 0.1 . 1 . . . . . . . . 5102 1 397 . 1 1 56 56 VAL H H 1 8.09 0.02 . 1 . . . . . . . . 5102 1 398 . 1 1 56 56 VAL HA H 1 4.05 0.02 . 1 . . . . . . . . 5102 1 399 . 1 1 56 56 VAL HB H 1 2.02 0.02 . 1 . . . . . . . . 5102 1 400 . 1 1 56 56 VAL HG11 H 1 0.90 0.02 . 1 . . . . . . . . 5102 1 401 . 1 1 56 56 VAL HG12 H 1 0.90 0.02 . 1 . . . . . . . . 5102 1 402 . 1 1 56 56 VAL HG13 H 1 0.90 0.02 . 1 . . . . . . . . 5102 1 403 . 1 1 56 56 VAL HG21 H 1 0.90 0.02 . 1 . . . . . . . . 5102 1 404 . 1 1 56 56 VAL HG22 H 1 0.90 0.02 . 1 . . . . . . . . 5102 1 405 . 1 1 56 56 VAL HG23 H 1 0.90 0.02 . 1 . . . . . . . . 5102 1 406 . 1 1 57 57 ARG N N 15 125.7 0.1 . 1 . . . . . . . . 5102 1 407 . 1 1 57 57 ARG H H 1 8.43 0.02 . 1 . . . . . . . . 5102 1 408 . 1 1 57 57 ARG HA H 1 4.33 0.02 . 1 . . . . . . . . 5102 1 409 . 1 1 57 57 ARG HB2 H 1 1.78 0.02 . 2 . . . . . . . . 5102 1 410 . 1 1 57 57 ARG HB3 H 1 1.70 0.02 . 2 . . . . . . . . 5102 1 411 . 1 1 57 57 ARG HG2 H 1 1.58 0.02 . 1 . . . . . . . . 5102 1 412 . 1 1 57 57 ARG HG3 H 1 1.58 0.02 . 1 . . . . . . . . 5102 1 413 . 1 1 57 57 ARG HD2 H 1 3.20 0.02 . 1 . . . . . . . . 5102 1 414 . 1 1 57 57 ARG HD3 H 1 3.20 0.02 . 1 . . . . . . . . 5102 1 415 . 1 1 58 58 LYS N N 15 122.8 0.1 . 1 . . . . . . . . 5102 1 416 . 1 1 58 58 LYS H H 1 8.34 0.02 . 1 . . . . . . . . 5102 1 417 . 1 1 58 58 LYS HA H 1 4.23 0.02 . 1 . . . . . . . . 5102 1 418 . 1 1 58 58 LYS HB2 H 1 1.70 0.02 . 1 . . . . . . . . 5102 1 419 . 1 1 58 58 LYS HB3 H 1 1.70 0.02 . 1 . . . . . . . . 5102 1 420 . 1 1 58 58 LYS HG2 H 1 1.42 0.02 . 2 . . . . . . . . 5102 1 421 . 1 1 58 58 LYS HG3 H 1 1.29 0.02 . 2 . . . . . . . . 5102 1 422 . 1 1 58 58 LYS HD2 H 1 1.63 0.02 . 1 . . . . . . . . 5102 1 423 . 1 1 58 58 LYS HD3 H 1 1.63 0.02 . 1 . . . . . . . . 5102 1 424 . 1 1 59 59 HIS N N 15 119.6 0.1 . 1 . . . . . . . . 5102 1 425 . 1 1 59 59 HIS H H 1 8.59 0.02 . 1 . . . . . . . . 5102 1 426 . 1 1 59 59 HIS HA H 1 4.68 0.02 . 1 . . . . . . . . 5102 1 427 . 1 1 59 59 HIS HB2 H 1 3.26 0.02 . 2 . . . . . . . . 5102 1 428 . 1 1 59 59 HIS HB3 H 1 3.17 0.02 . 2 . . . . . . . . 5102 1 429 . 1 1 60 60 GLN N N 15 122.4 0.1 . 1 . . . . . . . . 5102 1 430 . 1 1 60 60 GLN H H 1 8.49 0.02 . 1 . . . . . . . . 5102 1 431 . 1 1 60 60 GLN HA H 1 4.33 0.02 . 1 . . . . . . . . 5102 1 432 . 1 1 60 60 GLN HB2 H 1 2.46 0.02 . 2 . . . . . . . . 5102 1 433 . 1 1 60 60 GLN HB3 H 1 2.57 0.02 . 2 . . . . . . . . 5102 1 434 . 1 1 60 60 GLN HG2 H 1 2.34 0.02 . 1 . . . . . . . . 5102 1 435 . 1 1 60 60 GLN HG3 H 1 2.34 0.02 . 1 . . . . . . . . 5102 1 436 . 1 1 61 61 ARG N N 15 122.2 0.1 . 1 . . . . . . . . 5102 1 437 . 1 1 61 61 ARG H H 1 8.31 0.02 . 1 . . . . . . . . 5102 1 438 . 1 1 61 61 ARG HA H 1 4.29 0.02 . 1 . . . . . . . . 5102 1 439 . 1 1 61 61 ARG HB2 H 1 1.80 0.02 . 1 . . . . . . . . 5102 1 440 . 1 1 61 61 ARG HB3 H 1 1.80 0.02 . 1 . . . . . . . . 5102 1 441 . 1 1 61 61 ARG HG2 H 1 1.63 0.02 . 1 . . . . . . . . 5102 1 442 . 1 1 61 61 ARG HG3 H 1 1.63 0.02 . 1 . . . . . . . . 5102 1 443 . 1 1 62 62 LYS N N 15 122.4 0.1 . 1 . . . . . . . . 5102 1 444 . 1 1 62 62 LYS H H 1 8.33 0.02 . 1 . . . . . . . . 5102 1 445 . 1 1 62 62 LYS HA H 1 4.27 0.02 . 1 . . . . . . . . 5102 1 446 . 1 1 62 62 LYS HB2 H 1 1.77 0.02 . 1 . . . . . . . . 5102 1 447 . 1 1 62 62 LYS HB3 H 1 1.77 0.02 . 1 . . . . . . . . 5102 1 448 . 1 1 62 62 LYS HG2 H 1 1.41 0.02 . 1 . . . . . . . . 5102 1 449 . 1 1 62 62 LYS HG3 H 1 1.41 0.02 . 1 . . . . . . . . 5102 1 450 . 1 1 62 62 LYS HD2 H 1 1.67 0.02 . 1 . . . . . . . . 5102 1 451 . 1 1 62 62 LYS HD3 H 1 1.67 0.02 . 1 . . . . . . . . 5102 1 452 . 1 1 63 63 PHE N N 15 121.7 0.1 . 1 . . . . . . . . 5102 1 453 . 1 1 63 63 PHE H H 1 8.27 0.02 . 1 . . . . . . . . 5102 1 454 . 1 1 63 63 PHE HA H 1 4.60 0.02 . 1 . . . . . . . . 5102 1 455 . 1 1 63 63 PHE HB2 H 1 3.12 0.02 . 2 . . . . . . . . 5102 1 456 . 1 1 63 63 PHE HB3 H 1 2.99 0.02 . 2 . . . . . . . . 5102 1 457 . 1 1 64 64 LEU N N 15 123.9 0.1 . 1 . . . . . . . . 5102 1 458 . 1 1 64 64 LEU H H 1 8.19 0.02 . 1 . . . . . . . . 5102 1 459 . 1 1 64 64 LEU HA H 1 4.27 0.02 . 1 . . . . . . . . 5102 1 460 . 1 1 64 64 LEU HB2 H 1 1.59 0.02 . 1 . . . . . . . . 5102 1 461 . 1 1 64 64 LEU HB3 H 1 1.59 0.02 . 1 . . . . . . . . 5102 1 462 . 1 1 64 64 LEU HG H 1 1.50 0.02 . 1 . . . . . . . . 5102 1 463 . 1 1 64 64 LEU HD11 H 1 0.85 0.02 . 1 . . . . . . . . 5102 1 464 . 1 1 64 64 LEU HD12 H 1 0.85 0.02 . 1 . . . . . . . . 5102 1 465 . 1 1 64 64 LEU HD13 H 1 0.85 0.02 . 1 . . . . . . . . 5102 1 466 . 1 1 64 64 LEU HD21 H 1 0.85 0.02 . 1 . . . . . . . . 5102 1 467 . 1 1 64 64 LEU HD22 H 1 0.85 0.02 . 1 . . . . . . . . 5102 1 468 . 1 1 64 64 LEU HD23 H 1 0.85 0.02 . 1 . . . . . . . . 5102 1 469 . 1 1 65 65 GLN N N 15 121.1 0.1 . 1 . . . . . . . . 5102 1 470 . 1 1 65 65 GLN H H 1 8.25 0.02 . 1 . . . . . . . . 5102 1 471 . 1 1 65 65 GLN HA H 1 4.27 0.02 . 1 . . . . . . . . 5102 1 472 . 1 1 65 65 GLN HB2 H 1 2.06 0.02 . 2 . . . . . . . . 5102 1 473 . 1 1 65 65 GLN HB3 H 1 1.95 0.02 . 2 . . . . . . . . 5102 1 474 . 1 1 65 65 GLN HG2 H 1 2.36 0.02 . 1 . . . . . . . . 5102 1 475 . 1 1 65 65 GLN HG3 H 1 2.36 0.02 . 1 . . . . . . . . 5102 1 476 . 1 1 66 66 ALA N N 15 125.5 0.1 . 1 . . . . . . . . 5102 1 477 . 1 1 66 66 ALA H H 1 8.26 0.02 . 1 . . . . . . . . 5102 1 478 . 1 1 66 66 ALA HA H 1 4.26 0.02 . 1 . . . . . . . . 5102 1 479 . 1 1 66 66 ALA HB1 H 1 1.34 0.02 . 1 . . . . . . . . 5102 1 480 . 1 1 66 66 ALA HB2 H 1 1.34 0.02 . 1 . . . . . . . . 5102 1 481 . 1 1 66 66 ALA HB3 H 1 1.34 0.02 . 1 . . . . . . . . 5102 1 482 . 1 1 67 67 ILE N N 15 119.4 0.1 . 1 . . . . . . . . 5102 1 483 . 1 1 67 67 ILE H H 1 8.02 0.02 . 1 . . . . . . . . 5102 1 484 . 1 1 67 67 ILE HA H 1 4.07 0.02 . 1 . . . . . . . . 5102 1 485 . 1 1 67 67 ILE HB H 1 1.78 0.02 . 1 . . . . . . . . 5102 1 486 . 1 1 67 67 ILE HG21 H 1 0.80 0.02 . 1 . . . . . . . . 5102 1 487 . 1 1 67 67 ILE HG22 H 1 0.80 0.02 . 1 . . . . . . . . 5102 1 488 . 1 1 67 67 ILE HG23 H 1 0.80 0.02 . 1 . . . . . . . . 5102 1 489 . 1 1 67 67 ILE HG12 H 1 1.35 0.02 . 2 . . . . . . . . 5102 1 490 . 1 1 67 67 ILE HG13 H 1 1.11 0.02 . 2 . . . . . . . . 5102 1 491 . 1 1 68 68 HIS N N 15 121.9 0.1 . 1 . . . . . . . . 5102 1 492 . 1 1 68 68 HIS H H 1 8.52 0.02 . 1 . . . . . . . . 5102 1 493 . 1 1 68 68 HIS HA H 1 4.71 0.02 . 1 . . . . . . . . 5102 1 494 . 1 1 68 68 HIS HB2 H 1 3.25 0.02 . 2 . . . . . . . . 5102 1 495 . 1 1 68 68 HIS HB3 H 1 3.16 0.02 . 2 . . . . . . . . 5102 1 496 . 1 1 69 69 GLN N N 15 121.9 0.1 . 1 . . . . . . . . 5102 1 497 . 1 1 69 69 GLN H H 1 8.40 0.02 . 1 . . . . . . . . 5102 1 498 . 1 1 69 69 GLN HA H 1 4.33 0.02 . 1 . . . . . . . . 5102 1 499 . 1 1 69 69 GLN HB2 H 1 2.06 0.02 . 2 . . . . . . . . 5102 1 500 . 1 1 69 69 GLN HB3 H 1 1.95 0.02 . 2 . . . . . . . . 5102 1 501 . 1 1 69 69 GLN HG2 H 1 2.33 0.02 . 1 . . . . . . . . 5102 1 502 . 1 1 69 69 GLN HG3 H 1 2.33 0.02 . 1 . . . . . . . . 5102 1 503 . 1 1 70 70 LEU N N 15 124.2 0.1 . 1 . . . . . . . . 5102 1 504 . 1 1 70 70 LEU H H 1 8.39 0.02 . 1 . . . . . . . . 5102 1 505 . 1 1 70 70 LEU HA H 1 4.31 0.02 . 1 . . . . . . . . 5102 1 506 . 1 1 70 70 LEU HB2 H 1 1.67 0.02 . 1 . . . . . . . . 5102 1 507 . 1 1 70 70 LEU HB3 H 1 1.67 0.02 . 1 . . . . . . . . 5102 1 508 . 1 1 70 70 LEU HG H 1 1.57 0.02 . 1 . . . . . . . . 5102 1 509 . 1 1 70 70 LEU HD11 H 1 0.88 0.02 . 1 . . . . . . . . 5102 1 510 . 1 1 70 70 LEU HD12 H 1 0.88 0.02 . 1 . . . . . . . . 5102 1 511 . 1 1 70 70 LEU HD13 H 1 0.88 0.02 . 1 . . . . . . . . 5102 1 512 . 1 1 70 70 LEU HD21 H 1 0.88 0.02 . 1 . . . . . . . . 5102 1 513 . 1 1 70 70 LEU HD22 H 1 0.88 0.02 . 1 . . . . . . . . 5102 1 514 . 1 1 70 70 LEU HD23 H 1 0.88 0.02 . 1 . . . . . . . . 5102 1 515 . 1 1 71 71 ARG N N 15 122.1 0.1 . 1 . . . . . . . . 5102 1 516 . 1 1 71 71 ARG H H 1 8.39 0.02 . 1 . . . . . . . . 5102 1 517 . 1 1 71 71 ARG HA H 1 4.33 0.02 . 1 . . . . . . . . 5102 1 518 . 1 1 71 71 ARG HB2 H 1 1.81 0.02 . 1 . . . . . . . . 5102 1 519 . 1 1 71 71 ARG HB3 H 1 1.81 0.02 . 1 . . . . . . . . 5102 1 520 . 1 1 71 71 ARG HG2 H 1 1.62 0.02 . 1 . . . . . . . . 5102 1 521 . 1 1 71 71 ARG HG3 H 1 1.62 0.02 . 1 . . . . . . . . 5102 1 522 . 1 1 72 72 SER N N 15 117.0 0.1 . 1 . . . . . . . . 5102 1 523 . 1 1 72 72 SER H H 1 8.29 0.02 . 1 . . . . . . . . 5102 1 524 . 1 1 72 72 SER HA H 1 4.45 0.02 . 1 . . . . . . . . 5102 1 525 . 1 1 72 72 SER HB2 H 1 3.86 0.02 . 1 . . . . . . . . 5102 1 526 . 1 1 72 72 SER HB3 H 1 3.86 0.02 . 1 . . . . . . . . 5102 1 527 . 1 1 73 73 VAL N N 15 122.2 0.1 . 1 . . . . . . . . 5102 1 528 . 1 1 73 73 VAL H H 1 8.16 0.02 . 1 . . . . . . . . 5102 1 529 . 1 1 73 73 VAL HA H 1 4.10 0.02 . 1 . . . . . . . . 5102 1 530 . 1 1 73 73 VAL HB H 1 2.10 0.02 . 1 . . . . . . . . 5102 1 531 . 1 1 73 73 VAL HG11 H 1 0.93 0.02 . 2 . . . . . . . . 5102 1 532 . 1 1 73 73 VAL HG12 H 1 0.93 0.02 . 2 . . . . . . . . 5102 1 533 . 1 1 73 73 VAL HG13 H 1 0.93 0.02 . 2 . . . . . . . . 5102 1 534 . 1 1 73 73 VAL HG21 H 1 0.81 0.02 . 2 . . . . . . . . 5102 1 535 . 1 1 73 73 VAL HG22 H 1 0.81 0.02 . 2 . . . . . . . . 5102 1 536 . 1 1 73 73 VAL HG23 H 1 0.81 0.02 . 2 . . . . . . . . 5102 1 537 . 1 1 74 74 LYS N N 15 124.2 0.1 . 1 . . . . . . . . 5102 1 538 . 1 1 74 74 LYS H H 1 8.31 0.02 . 1 . . . . . . . . 5102 1 539 . 1 1 74 74 LYS HA H 1 4.26 0.02 . 1 . . . . . . . . 5102 1 540 . 1 1 74 74 LYS HB2 H 1 1.81 0.02 . 2 . . . . . . . . 5102 1 541 . 1 1 74 74 LYS HB3 H 1 1.71 0.02 . 2 . . . . . . . . 5102 1 542 . 1 1 74 74 LYS HG2 H 1 1.45 0.02 . 2 . . . . . . . . 5102 1 543 . 1 1 74 74 LYS HG3 H 1 1.35 0.02 . 2 . . . . . . . . 5102 1 544 . 1 1 75 75 MET N N 15 121.5 0.1 . 1 . . . . . . . . 5102 1 545 . 1 1 75 75 MET H H 1 8.33 0.02 . 1 . . . . . . . . 5102 1 546 . 1 1 75 75 MET HA H 1 4.38 0.02 . 1 . . . . . . . . 5102 1 547 . 1 1 75 75 MET HB2 H 1 2.06 0.02 . 2 . . . . . . . . 5102 1 548 . 1 1 75 75 MET HB3 H 1 1.99 0.02 . 2 . . . . . . . . 5102 1 549 . 1 1 75 75 MET HG2 H 1 2.60 0.02 . 2 . . . . . . . . 5102 1 550 . 1 1 75 75 MET HG3 H 1 2.51 0.02 . 2 . . . . . . . . 5102 1 551 . 1 1 76 76 GLU N N 15 121.8 0.1 . 1 . . . . . . . . 5102 1 552 . 1 1 76 76 GLU H H 1 8.37 0.02 . 1 . . . . . . . . 5102 1 553 . 1 1 76 76 GLU HA H 1 4.28 0.02 . 1 . . . . . . . . 5102 1 554 . 1 1 76 76 GLU HB2 H 1 2.11 0.02 . 2 . . . . . . . . 5102 1 555 . 1 1 76 76 GLU HB3 H 1 2.00 0.02 . 2 . . . . . . . . 5102 1 556 . 1 1 76 76 GLU HG2 H 1 2.38 0.02 . 1 . . . . . . . . 5102 1 557 . 1 1 76 76 GLU HG3 H 1 2.38 0.02 . 1 . . . . . . . . 5102 1 558 . 1 1 77 77 GLN N N 15 121.4 0.1 . 1 . . . . . . . . 5102 1 559 . 1 1 77 77 GLN H H 1 8.39 0.02 . 1 . . . . . . . . 5102 1 560 . 1 1 77 77 GLN HA H 1 4.29 0.02 . 1 . . . . . . . . 5102 1 561 . 1 1 77 77 GLN HB2 H 1 2.08 0.02 . 2 . . . . . . . . 5102 1 562 . 1 1 77 77 GLN HB3 H 1 1.99 0.02 . 2 . . . . . . . . 5102 1 563 . 1 1 77 77 GLN HG2 H 1 2.37 0.02 . 1 . . . . . . . . 5102 1 564 . 1 1 77 77 GLN HG3 H 1 2.37 0.02 . 1 . . . . . . . . 5102 1 565 . 1 1 78 78 ARG N N 15 123.4 0.1 . 1 . . . . . . . . 5102 1 566 . 1 1 78 78 ARG H H 1 8.50 0.02 . 1 . . . . . . . . 5102 1 567 . 1 1 78 78 ARG HA H 1 4.27 0.02 . 1 . . . . . . . . 5102 1 568 . 1 1 78 78 ARG HB2 H 1 1.75 0.02 . 1 . . . . . . . . 5102 1 569 . 1 1 78 78 ARG HB3 H 1 1.75 0.02 . 1 . . . . . . . . 5102 1 570 . 1 1 78 78 ARG HG2 H 1 1.65 0.02 . 2 . . . . . . . . 5102 1 571 . 1 1 78 78 ARG HG3 H 1 1.55 0.02 . 2 . . . . . . . . 5102 1 572 . 1 1 78 78 ARG HD2 H 1 3.18 0.02 . 1 . . . . . . . . 5102 1 573 . 1 1 78 78 ARG HD3 H 1 3.18 0.02 . 1 . . . . . . . . 5102 1 574 . 1 1 79 79 LYS N N 15 122.5 0.1 . 1 . . . . . . . . 5102 1 575 . 1 1 79 79 LYS H H 1 8.33 0.02 . 1 . . . . . . . . 5102 1 576 . 1 1 79 79 LYS HA H 1 4.25 0.02 . 1 . . . . . . . . 5102 1 577 . 1 1 79 79 LYS HB2 H 1 1.79 0.02 . 1 . . . . . . . . 5102 1 578 . 1 1 79 79 LYS HB3 H 1 1.79 0.02 . 1 . . . . . . . . 5102 1 579 . 1 1 79 79 LYS HG2 H 1 1.41 0.02 . 1 . . . . . . . . 5102 1 580 . 1 1 79 79 LYS HG3 H 1 1.41 0.02 . 1 . . . . . . . . 5102 1 581 . 1 1 80 80 LEU N N 15 123.4 0.1 . 1 . . . . . . . . 5102 1 582 . 1 1 80 80 LEU H H 1 8.27 0.02 . 1 . . . . . . . . 5102 1 583 . 1 1 80 80 LEU HA H 1 4.30 0.02 . 1 . . . . . . . . 5102 1 584 . 1 1 80 80 LEU HB2 H 1 1.65 0.02 . 1 . . . . . . . . 5102 1 585 . 1 1 80 80 LEU HB3 H 1 1.65 0.02 . 1 . . . . . . . . 5102 1 586 . 1 1 80 80 LEU HG H 1 1.54 0.02 . 1 . . . . . . . . 5102 1 587 . 1 1 80 80 LEU HD11 H 1 0.86 0.02 . 1 . . . . . . . . 5102 1 588 . 1 1 80 80 LEU HD12 H 1 0.86 0.02 . 1 . . . . . . . . 5102 1 589 . 1 1 80 80 LEU HD13 H 1 0.86 0.02 . 1 . . . . . . . . 5102 1 590 . 1 1 80 80 LEU HD21 H 1 0.86 0.02 . 1 . . . . . . . . 5102 1 591 . 1 1 80 80 LEU HD22 H 1 0.86 0.02 . 1 . . . . . . . . 5102 1 592 . 1 1 80 80 LEU HD23 H 1 0.86 0.02 . 1 . . . . . . . . 5102 1 593 . 1 1 81 81 ASN N N 15 119.1 0.1 . 1 . . . . . . . . 5102 1 594 . 1 1 81 81 ASN H H 1 8.42 0.02 . 1 . . . . . . . . 5102 1 595 . 1 1 81 81 ASN HA H 1 4.70 0.02 . 1 . . . . . . . . 5102 1 596 . 1 1 81 81 ASN HB2 H 1 2.86 0.02 . 2 . . . . . . . . 5102 1 597 . 1 1 81 81 ASN HB3 H 1 2.76 0.02 . 2 . . . . . . . . 5102 1 598 . 1 1 82 82 ASP N N 15 120.0 0.1 . 1 . . . . . . . . 5102 1 599 . 1 1 82 82 ASP H H 1 8.35 0.02 . 1 . . . . . . . . 5102 1 600 . 1 1 82 82 ASP HA H 1 4.66 0.02 . 1 . . . . . . . . 5102 1 601 . 1 1 82 82 ASP HB2 H 1 2.80 0.02 . 1 . . . . . . . . 5102 1 602 . 1 1 82 82 ASP HB3 H 1 2.80 0.02 . 1 . . . . . . . . 5102 1 603 . 1 1 83 83 GLN N N 15 120.5 0.1 . 1 . . . . . . . . 5102 1 604 . 1 1 83 83 GLN H H 1 8.33 0.02 . 1 . . . . . . . . 5102 1 605 . 1 1 83 83 GLN HA H 1 4.31 0.02 . 1 . . . . . . . . 5102 1 606 . 1 1 83 83 GLN HB2 H 1 2.15 0.02 . 2 . . . . . . . . 5102 1 607 . 1 1 83 83 GLN HB3 H 1 2.00 0.02 . 2 . . . . . . . . 5102 1 608 . 1 1 83 83 GLN HG2 H 1 2.36 0.02 . 1 . . . . . . . . 5102 1 609 . 1 1 83 83 GLN HG3 H 1 2.36 0.02 . 1 . . . . . . . . 5102 1 610 . 1 1 84 84 ALA N N 15 124.2 0.1 . 1 . . . . . . . . 5102 1 611 . 1 1 84 84 ALA H H 1 8.27 0.02 . 1 . . . . . . . . 5102 1 612 . 1 1 84 84 ALA HA H 1 4.26 0.02 . 1 . . . . . . . . 5102 1 613 . 1 1 84 84 ALA HB1 H 1 1.38 0.02 . 1 . . . . . . . . 5102 1 614 . 1 1 84 84 ALA HB2 H 1 1.38 0.02 . 1 . . . . . . . . 5102 1 615 . 1 1 84 84 ALA HB3 H 1 1.38 0.02 . 1 . . . . . . . . 5102 1 616 . 1 1 85 85 ASN N N 15 117.6 0.1 . 1 . . . . . . . . 5102 1 617 . 1 1 85 85 ASN H H 1 8.36 0.02 . 1 . . . . . . . . 5102 1 618 . 1 1 85 85 ASN HA H 1 4.71 0.02 . 1 . . . . . . . . 5102 1 619 . 1 1 85 85 ASN HB2 H 1 2.85 0.02 . 2 . . . . . . . . 5102 1 620 . 1 1 85 85 ASN HB3 H 1 2.76 0.02 . 2 . . . . . . . . 5102 1 621 . 1 1 86 86 THR N N 15 114.3 0.1 . 1 . . . . . . . . 5102 1 622 . 1 1 86 86 THR H H 1 8.06 0.02 . 1 . . . . . . . . 5102 1 623 . 1 1 86 86 THR HA H 1 4.26 0.02 . 1 . . . . . . . . 5102 1 624 . 1 1 86 86 THR HG21 H 1 1.20 0.02 . 1 . . . . . . . . 5102 1 625 . 1 1 86 86 THR HG22 H 1 1.20 0.02 . 1 . . . . . . . . 5102 1 626 . 1 1 86 86 THR HG23 H 1 1.20 0.02 . 1 . . . . . . . . 5102 1 627 . 1 1 87 87 LEU N N 15 124.1 0.1 . 1 . . . . . . . . 5102 1 628 . 1 1 87 87 LEU H H 1 8.21 0.02 . 1 . . . . . . . . 5102 1 629 . 1 1 87 87 LEU HA H 1 4.33 0.02 . 1 . . . . . . . . 5102 1 630 . 1 1 87 87 LEU HB2 H 1 1.68 0.02 . 1 . . . . . . . . 5102 1 631 . 1 1 87 87 LEU HB3 H 1 1.68 0.02 . 1 . . . . . . . . 5102 1 632 . 1 1 87 87 LEU HG H 1 1.58 0.02 . 1 . . . . . . . . 5102 1 633 . 1 1 87 87 LEU HD11 H 1 0.90 0.02 . 1 . . . . . . . . 5102 1 634 . 1 1 87 87 LEU HD12 H 1 0.90 0.02 . 1 . . . . . . . . 5102 1 635 . 1 1 87 87 LEU HD13 H 1 0.90 0.02 . 1 . . . . . . . . 5102 1 636 . 1 1 87 87 LEU HD21 H 1 0.90 0.02 . 1 . . . . . . . . 5102 1 637 . 1 1 87 87 LEU HD22 H 1 0.90 0.02 . 1 . . . . . . . . 5102 1 638 . 1 1 87 87 LEU HD23 H 1 0.90 0.02 . 1 . . . . . . . . 5102 1 639 . 1 1 88 88 VAL N N 15 120.4 0.1 . 1 . . . . . . . . 5102 1 640 . 1 1 88 88 VAL H H 1 7.95 0.02 . 1 . . . . . . . . 5102 1 641 . 1 1 88 88 VAL HA H 1 4.01 0.02 . 1 . . . . . . . . 5102 1 642 . 1 1 88 88 VAL HB H 1 2.04 0.02 . 1 . . . . . . . . 5102 1 643 . 1 1 88 88 VAL HG11 H 1 0.91 0.02 . 1 . . . . . . . . 5102 1 644 . 1 1 88 88 VAL HG12 H 1 0.91 0.02 . 1 . . . . . . . . 5102 1 645 . 1 1 88 88 VAL HG13 H 1 0.91 0.02 . 1 . . . . . . . . 5102 1 646 . 1 1 88 88 VAL HG21 H 1 0.91 0.02 . 1 . . . . . . . . 5102 1 647 . 1 1 88 88 VAL HG22 H 1 0.91 0.02 . 1 . . . . . . . . 5102 1 648 . 1 1 88 88 VAL HG23 H 1 0.91 0.02 . 1 . . . . . . . . 5102 1 649 . 1 1 89 89 ASP N N 15 122.6 0.1 . 1 . . . . . . . . 5102 1 650 . 1 1 89 89 ASP H H 1 8.36 0.02 . 1 . . . . . . . . 5102 1 651 . 1 1 89 89 ASP HA H 1 4.64 0.02 . 1 . . . . . . . . 5102 1 652 . 1 1 89 89 ASP HB2 H 1 2.88 0.02 . 2 . . . . . . . . 5102 1 653 . 1 1 89 89 ASP HB3 H 1 2.73 0.02 . 2 . . . . . . . . 5102 1 654 . 1 1 90 90 LEU N N 15 123.8 0.1 . 1 . . . . . . . . 5102 1 655 . 1 1 90 90 LEU H H 1 8.27 0.02 . 1 . . . . . . . . 5102 1 656 . 1 1 90 90 LEU HA H 1 4.27 0.02 . 1 . . . . . . . . 5102 1 657 . 1 1 90 90 LEU HB2 H 1 1.68 0.02 . 1 . . . . . . . . 5102 1 658 . 1 1 90 90 LEU HB3 H 1 1.68 0.02 . 1 . . . . . . . . 5102 1 659 . 1 1 90 90 LEU HG H 1 1.58 0.02 . 1 . . . . . . . . 5102 1 660 . 1 1 90 90 LEU HD11 H 1 0.88 0.02 . 1 . . . . . . . . 5102 1 661 . 1 1 90 90 LEU HD12 H 1 0.88 0.02 . 1 . . . . . . . . 5102 1 662 . 1 1 90 90 LEU HD13 H 1 0.88 0.02 . 1 . . . . . . . . 5102 1 663 . 1 1 90 90 LEU HD21 H 1 0.88 0.02 . 1 . . . . . . . . 5102 1 664 . 1 1 90 90 LEU HD22 H 1 0.88 0.02 . 1 . . . . . . . . 5102 1 665 . 1 1 90 90 LEU HD23 H 1 0.88 0.02 . 1 . . . . . . . . 5102 1 666 . 1 1 91 91 ALA N N 15 123.1 0.1 . 1 . . . . . . . . 5102 1 667 . 1 1 91 91 ALA H H 1 8.17 0.02 . 1 . . . . . . . . 5102 1 668 . 1 1 91 91 ALA HA H 1 4.24 0.02 . 1 . . . . . . . . 5102 1 669 . 1 1 91 91 ALA HB1 H 1 1.42 0.02 . 1 . . . . . . . . 5102 1 670 . 1 1 91 91 ALA HB2 H 1 1.42 0.02 . 1 . . . . . . . . 5102 1 671 . 1 1 91 91 ALA HB3 H 1 1.42 0.02 . 1 . . . . . . . . 5102 1 672 . 1 1 92 92 LYS N N 15 119.1 0.1 . 1 . . . . . . . . 5102 1 673 . 1 1 92 92 LYS H H 1 8.05 0.02 . 1 . . . . . . . . 5102 1 674 . 1 1 92 92 LYS HA H 1 4.23 0.02 . 1 . . . . . . . . 5102 1 675 . 1 1 92 92 LYS HB2 H 1 1.85 0.02 . 1 . . . . . . . . 5102 1 676 . 1 1 92 92 LYS HB3 H 1 1.85 0.02 . 1 . . . . . . . . 5102 1 677 . 1 1 92 92 LYS HG2 H 1 1.41 0.02 . 1 . . . . . . . . 5102 1 678 . 1 1 92 92 LYS HG3 H 1 1.41 0.02 . 1 . . . . . . . . 5102 1 679 . 1 1 92 92 LYS HD2 H 1 1.51 0.02 . 1 . . . . . . . . 5102 1 680 . 1 1 92 92 LYS HD3 H 1 1.51 0.02 . 1 . . . . . . . . 5102 1 681 . 1 1 93 93 THR N N 15 114.1 0.1 . 1 . . . . . . . . 5102 1 682 . 1 1 93 93 THR H H 1 8.00 0.02 . 1 . . . . . . . . 5102 1 683 . 1 1 93 93 THR HA H 1 4.25 0.02 . 1 . . . . . . . . 5102 1 684 . 1 1 93 93 THR HB H 1 4.21 0.02 . 1 . . . . . . . . 5102 1 685 . 1 1 93 93 THR HG21 H 1 1.20 0.02 . 1 . . . . . . . . 5102 1 686 . 1 1 93 93 THR HG22 H 1 1.20 0.02 . 1 . . . . . . . . 5102 1 687 . 1 1 93 93 THR HG23 H 1 1.20 0.02 . 1 . . . . . . . . 5102 1 688 . 1 1 94 94 GLN N N 15 121.9 0.1 . 1 . . . . . . . . 5102 1 689 . 1 1 94 94 GLN H H 1 8.27 0.02 . 1 . . . . . . . . 5102 1 690 . 1 1 94 94 GLN HA H 1 4.28 0.02 . 1 . . . . . . . . 5102 1 691 . 1 1 94 94 GLN HB2 H 1 2.11 0.02 . 2 . . . . . . . . 5102 1 692 . 1 1 94 94 GLN HB3 H 1 2.02 0.02 . 2 . . . . . . . . 5102 1 693 . 1 1 94 94 GLN HG2 H 1 2.37 0.02 . 1 . . . . . . . . 5102 1 694 . 1 1 94 94 GLN HG3 H 1 2.37 0.02 . 1 . . . . . . . . 5102 1 695 . 1 1 95 95 LEU N N 15 122.1 0.1 . 1 . . . . . . . . 5102 1 696 . 1 1 95 95 LEU H H 1 8.05 0.02 . 1 . . . . . . . . 5102 1 697 . 1 1 95 95 LEU HA H 1 4.24 0.02 . 1 . . . . . . . . 5102 1 698 . 1 1 95 95 LEU HB2 H 1 1.65 0.02 . 1 . . . . . . . . 5102 1 699 . 1 1 95 95 LEU HB3 H 1 1.65 0.02 . 1 . . . . . . . . 5102 1 700 . 1 1 95 95 LEU HG H 1 1.54 0.02 . 1 . . . . . . . . 5102 1 701 . 1 1 95 95 LEU HD11 H 1 0.83 0.02 . 1 . . . . . . . . 5102 1 702 . 1 1 95 95 LEU HD12 H 1 0.83 0.02 . 1 . . . . . . . . 5102 1 703 . 1 1 95 95 LEU HD13 H 1 0.83 0.02 . 1 . . . . . . . . 5102 1 704 . 1 1 95 95 LEU HD21 H 1 0.83 0.02 . 1 . . . . . . . . 5102 1 705 . 1 1 95 95 LEU HD22 H 1 0.83 0.02 . 1 . . . . . . . . 5102 1 706 . 1 1 95 95 LEU HD23 H 1 0.83 0.02 . 1 . . . . . . . . 5102 1 707 . 1 1 96 96 GLU N N 15 119.7 0.1 . 1 . . . . . . . . 5102 1 708 . 1 1 96 96 GLU H H 1 8.11 0.02 . 1 . . . . . . . . 5102 1 709 . 1 1 96 96 GLU HA H 1 4.19 0.02 . 1 . . . . . . . . 5102 1 710 . 1 1 96 96 GLU HB2 H 1 1.91 0.02 . 1 . . . . . . . . 5102 1 711 . 1 1 96 96 GLU HB3 H 1 1.91 0.02 . 1 . . . . . . . . 5102 1 712 . 1 1 96 96 GLU HG2 H 1 2.32 0.02 . 1 . . . . . . . . 5102 1 713 . 1 1 96 96 GLU HG3 H 1 2.32 0.02 . 1 . . . . . . . . 5102 1 714 . 1 1 97 97 HIS N N 15 118.4 0.1 . 1 . . . . . . . . 5102 1 715 . 1 1 97 97 HIS H H 1 8.36 0.02 . 1 . . . . . . . . 5102 1 716 . 1 1 97 97 HIS HA H 1 4.66 0.02 . 1 . . . . . . . . 5102 1 717 . 1 1 97 97 HIS HB2 H 1 3.21 0.02 . 2 . . . . . . . . 5102 1 718 . 1 1 97 97 HIS HB3 H 1 3.09 0.02 . 2 . . . . . . . . 5102 1 stop_ save_ save_shift_set_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_2 _Assigned_chem_shift_list.Entry_ID 5102 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_2 . 5102 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 2 2 GLY CA C 13 43.3 0.1 . 1 . . . . . . . . 5102 2 2 . 1 1 3 3 ARG N N 15 121.0 0.1 . 1 . . . . . . . . 5102 2 3 . 1 1 3 3 ARG H H 1 8.60 0.02 . 1 . . . . . . . . 5102 2 4 . 1 1 3 3 ARG CA C 13 56.3 0.1 . 1 . . . . . . . . 5102 2 5 . 1 1 4 4 LYS N N 15 123.7 0.1 . 1 . . . . . . . . 5102 2 6 . 1 1 4 4 LYS H H 1 8.51 0.02 . 1 . . . . . . . . 5102 2 7 . 1 1 4 4 LYS CA C 13 56.5 0.1 . 1 . . . . . . . . 5102 2 8 . 1 1 5 5 LEU N N 15 124.6 0.1 . 1 . . . . . . . . 5102 2 9 . 1 1 5 5 LEU H H 1 8.35 0.02 . 1 . . . . . . . . 5102 2 10 . 1 1 5 5 LEU CA C 13 55.3 0.1 . 1 . . . . . . . . 5102 2 11 . 1 1 6 6 GLU N N 15 122.2 0.1 . 1 . . . . . . . . 5102 2 12 . 1 1 6 6 GLU H H 1 8.42 0.02 . 1 . . . . . . . . 5102 2 13 . 1 1 6 6 GLU CA C 13 55.9 0.1 . 1 . . . . . . . . 5102 2 14 . 1 1 7 7 LEU N N 15 123.7 0.1 . 1 . . . . . . . . 5102 2 15 . 1 1 7 7 LEU H H 1 8.33 0.02 . 1 . . . . . . . . 5102 2 16 . 1 1 7 7 LEU CA C 13 55.4 0.1 . 1 . . . . . . . . 5102 2 17 . 1 1 8 8 THR N N 15 114.8 0.1 . 1 . . . . . . . . 5102 2 18 . 1 1 8 8 THR H H 1 8.12 0.02 . 1 . . . . . . . . 5102 2 19 . 1 1 8 8 THR CA C 13 62.0 0.1 . 1 . . . . . . . . 5102 2 20 . 1 1 9 9 LYS N N 15 123.5 0.1 . 1 . . . . . . . . 5102 2 21 . 1 1 9 9 LYS H H 1 8.33 0.02 . 1 . . . . . . . . 5102 2 22 . 1 1 9 9 LYS CA C 13 56.9 0.1 . 1 . . . . . . . . 5102 2 23 . 1 1 10 10 ALA N N 15 124.6 0.1 . 1 . . . . . . . . 5102 2 24 . 1 1 10 10 ALA H H 1 8.24 0.02 . 1 . . . . . . . . 5102 2 25 . 1 1 10 10 ALA CA C 13 52.7 0.1 . 1 . . . . . . . . 5102 2 26 . 1 1 11 11 GLU N N 15 119.7 0.1 . 1 . . . . . . . . 5102 2 27 . 1 1 11 11 GLU H H 1 8.19 0.02 . 1 . . . . . . . . 5102 2 28 . 1 1 11 11 GLU CA C 13 56.1 0.1 . 1 . . . . . . . . 5102 2 29 . 1 1 12 12 LYS N N 15 122.0 0.1 . 1 . . . . . . . . 5102 2 30 . 1 1 12 12 LYS H H 1 8.23 0.02 . 1 . . . . . . . . 5102 2 31 . 1 1 12 12 LYS CA C 13 56.4 0.1 . 1 . . . . . . . . 5102 2 32 . 1 1 13 13 HIS N N 15 120.0 0.1 . 1 . . . . . . . . 5102 2 33 . 1 1 13 13 HIS H H 1 8.54 0.02 . 1 . . . . . . . . 5102 2 34 . 1 1 13 13 HIS CA C 13 55.0 0.1 . 1 . . . . . . . . 5102 2 35 . 1 1 14 14 VAL N N 15 120.9 0.1 . 1 . . . . . . . . 5102 2 36 . 1 1 14 14 VAL H H 1 8.14 0.02 . 1 . . . . . . . . 5102 2 37 . 1 1 14 14 VAL CA C 13 62.5 0.1 . 1 . . . . . . . . 5102 2 38 . 1 1 15 15 HIS N N 15 121.7 0.1 . 1 . . . . . . . . 5102 2 39 . 1 1 15 15 HIS H H 1 8.58 0.02 . 1 . . . . . . . . 5102 2 40 . 1 1 15 15 HIS CA C 13 54.9 0.1 . 1 . . . . . . . . 5102 2 41 . 1 1 16 16 ASN N N 15 121.2 0.1 . 1 . . . . . . . . 5102 2 42 . 1 1 16 16 ASN H H 1 8.43 0.02 . 1 . . . . . . . . 5102 2 43 . 1 1 16 16 ASN CA C 13 53.3 0.1 . 1 . . . . . . . . 5102 2 44 . 1 1 19 19 MET CA C 13 55.7 0.1 . 1 . . . . . . . . 5102 2 45 . 1 1 20 20 ASP N N 15 122.3 0.1 . 1 . . . . . . . . 5102 2 46 . 1 1 20 20 ASP H H 1 8.62 0.02 . 1 . . . . . . . . 5102 2 47 . 1 1 20 20 ASP CA C 13 54.0 0.1 . 1 . . . . . . . . 5102 2 48 . 1 1 21 21 THR N N 15 115.0 0.1 . 1 . . . . . . . . 5102 2 49 . 1 1 21 21 THR H H 1 8.21 0.02 . 1 . . . . . . . . 5102 2 50 . 1 1 21 21 THR CA C 13 62.4 0.1 . 1 . . . . . . . . 5102 2 51 . 1 1 22 22 GLN N N 15 122.0 0.1 . 1 . . . . . . . . 5102 2 52 . 1 1 22 22 GLN H H 1 8.42 0.02 . 1 . . . . . . . . 5102 2 53 . 1 1 22 22 GLN CA C 13 56.3 0.1 . 1 . . . . . . . . 5102 2 54 . 1 1 23 23 LEU N N 15 122.5 0.1 . 1 . . . . . . . . 5102 2 55 . 1 1 23 23 LEU H H 1 8.17 0.02 . 1 . . . . . . . . 5102 2 56 . 1 1 23 23 LEU CA C 13 55.7 0.1 . 1 . . . . . . . . 5102 2 57 . 1 1 24 24 THR N N 15 114.4 0.1 . 1 . . . . . . . . 5102 2 58 . 1 1 24 24 THR H H 1 8.01 0.02 . 1 . . . . . . . . 5102 2 59 . 1 1 24 24 THR CA C 13 62.3 0.1 . 1 . . . . . . . . 5102 2 60 . 1 1 25 25 LYS N N 15 123.5 0.1 . 1 . . . . . . . . 5102 2 61 . 1 1 25 25 LYS H H 1 8.20 0.02 . 1 . . . . . . . . 5102 2 62 . 1 1 25 25 LYS CA C 13 56.5 0.1 . 1 . . . . . . . . 5102 2 63 . 1 1 26 26 ARG CA C 13 56.3 0.1 . 1 . . . . . . . . 5102 2 64 . 1 1 27 27 VAL N N 15 121.7 0.1 . 1 . . . . . . . . 5102 2 65 . 1 1 27 27 VAL H H 1 8.16 0.02 . 1 . . . . . . . . 5102 2 66 . 1 1 27 27 VAL CA C 13 62.4 0.1 . 1 . . . . . . . . 5102 2 67 . 1 1 28 28 LYS N N 15 125.2 0.1 . 1 . . . . . . . . 5102 2 68 . 1 1 28 28 LYS H H 1 8.41 0.02 . 1 . . . . . . . . 5102 2 69 . 1 1 28 28 LYS CA C 13 56.7 0.1 . 1 . . . . . . . . 5102 2 70 . 1 1 29 29 ASN N N 15 120.0 0.1 . 1 . . . . . . . . 5102 2 71 . 1 1 29 29 ASN H H 1 8.43 0.02 . 1 . . . . . . . . 5102 2 72 . 1 1 29 29 ASN CA C 13 53.2 0.1 . 1 . . . . . . . . 5102 2 73 . 1 1 30 30 ALA N N 15 124.9 0.1 . 1 . . . . . . . . 5102 2 74 . 1 1 30 30 ALA H H 1 8.29 0.02 . 1 . . . . . . . . 5102 2 75 . 1 1 30 30 ALA CA C 13 52.9 0.1 . 1 . . . . . . . . 5102 2 76 . 1 1 31 31 ALA N N 15 122.7 0.1 . 1 . . . . . . . . 5102 2 77 . 1 1 31 31 ALA H H 1 8.21 0.02 . 1 . . . . . . . . 5102 2 78 . 1 1 31 31 ALA CA C 13 52.5 0.1 . 1 . . . . . . . . 5102 2 79 . 1 1 32 32 ALA N N 15 122.5 0.1 . 1 . . . . . . . . 5102 2 80 . 1 1 32 32 ALA H H 1 8.10 0.02 . 1 . . . . . . . . 5102 2 81 . 1 1 32 32 ALA CA C 13 52.8 0.1 . 1 . . . . . . . . 5102 2 82 . 1 1 33 33 ASN N N 15 117.6 0.1 . 1 . . . . . . . . 5102 2 83 . 1 1 33 33 ASN H H 1 8.28 0.02 . 1 . . . . . . . . 5102 2 84 . 1 1 33 33 ASN CA C 13 53.4 0.1 . 1 . . . . . . . . 5102 2 85 . 1 1 34 34 VAL N N 15 120.0 0.1 . 1 . . . . . . . . 5102 2 86 . 1 1 34 34 VAL H H 1 7.94 0.02 . 1 . . . . . . . . 5102 2 87 . 1 1 34 34 VAL CA C 13 62.6 0.1 . 1 . . . . . . . . 5102 2 88 . 1 1 35 35 LEU N N 15 125.2 0.1 . 1 . . . . . . . . 5102 2 89 . 1 1 35 35 LEU H H 1 8.22 0.02 . 1 . . . . . . . . 5102 2 90 . 1 1 35 35 LEU CA C 13 55.3 0.1 . 1 . . . . . . . . 5102 2 91 . 1 1 36 36 ARG N N 15 121.7 0.1 . 1 . . . . . . . . 5102 2 92 . 1 1 36 36 ARG H H 1 8.16 0.02 . 1 . . . . . . . . 5102 2 93 . 1 1 36 36 ARG CA C 13 55.9 0.1 . 1 . . . . . . . . 5102 2 94 . 1 1 37 37 GLU CA C 13 55.9 0.1 . 1 . . . . . . . . 5102 2 95 . 1 1 38 38 THR N N 15 114.3 0.1 . 1 . . . . . . . . 5102 2 96 . 1 1 38 38 THR H H 1 7.94 0.02 . 1 . . . . . . . . 5102 2 97 . 1 1 38 38 THR CA C 13 62.1 0.1 . 1 . . . . . . . . 5102 2 98 . 1 1 39 39 TRP N N 15 122.5 0.1 . 1 . . . . . . . . 5102 2 99 . 1 1 39 39 TRP H H 1 7.91 0.02 . 1 . . . . . . . . 5102 2 100 . 1 1 39 39 TRP CA C 13 56.9 0.1 . 1 . . . . . . . . 5102 2 101 . 1 1 41 41 ILE CA C 13 60.4 0.1 . 1 . . . . . . . . 5102 2 102 . 1 1 42 42 TYR N N 15 125.5 0.1 . 1 . . . . . . . . 5102 2 103 . 1 1 42 42 TYR H H 1 8.62 0.02 . 1 . . . . . . . . 5102 2 104 . 1 1 42 42 TYR CA C 13 58.1 0.1 . 1 . . . . . . . . 5102 2 105 . 1 1 43 43 LYS N N 15 125.0 0.1 . 1 . . . . . . . . 5102 2 106 . 1 1 43 43 LYS H H 1 8.22 0.02 . 1 . . . . . . . . 5102 2 107 . 1 1 43 43 LYS CA C 13 55.9 0.1 . 1 . . . . . . . . 5102 2 108 . 1 1 44 44 ASN N N 15 120.7 0.1 . 1 . . . . . . . . 5102 2 109 . 1 1 44 44 ASN H H 1 8.36 0.02 . 1 . . . . . . . . 5102 2 110 . 1 1 44 44 ASN CA C 13 53.2 0.1 . 1 . . . . . . . . 5102 2 111 . 1 1 45 45 THR N N 15 115.3 0.1 . 1 . . . . . . . . 5102 2 112 . 1 1 45 45 THR H H 1 8.16 0.02 . 1 . . . . . . . . 5102 2 113 . 1 1 45 45 THR CA C 13 62.2 0.1 . 1 . . . . . . . . 5102 2 114 . 1 1 46 46 LYS N N 15 123.5 0.1 . 1 . . . . . . . . 5102 2 115 . 1 1 46 46 LYS H H 1 8.27 0.02 . 1 . . . . . . . . 5102 2 116 . 1 1 46 46 LYS CA C 13 56.5 0.1 . 1 . . . . . . . . 5102 2 117 . 1 1 47 47 LEU N N 15 123.6 0.1 . 1 . . . . . . . . 5102 2 118 . 1 1 47 47 LEU H H 1 8.12 0.02 . 1 . . . . . . . . 5102 2 119 . 1 1 47 47 LEU CA C 13 55.1 0.1 . 1 . . . . . . . . 5102 2 120 . 1 1 48 48 VAL N N 15 122.5 0.1 . 1 . . . . . . . . 5102 2 121 . 1 1 48 48 VAL H H 1 8.11 0.02 . 1 . . . . . . . . 5102 2 122 . 1 1 48 48 VAL CA C 13 62.3 0.1 . 1 . . . . . . . . 5102 2 123 . 1 1 49 49 LYS N N 15 126.0 0.1 . 1 . . . . . . . . 5102 2 124 . 1 1 49 49 LYS H H 1 8.36 0.02 . 1 . . . . . . . . 5102 2 125 . 1 1 49 49 LYS CA C 13 56.2 0.1 . 1 . . . . . . . . 5102 2 126 . 1 1 50 50 LYS CA C 13 56.4 0.1 . 1 . . . . . . . . 5102 2 127 . 1 1 51 51 ILE N N 15 123.0 0.1 . 1 . . . . . . . . 5102 2 128 . 1 1 51 51 ILE H H 1 8.23 0.02 . 1 . . . . . . . . 5102 2 129 . 1 1 51 51 ILE CA C 13 60.8 0.1 . 1 . . . . . . . . 5102 2 130 . 1 1 52 52 ASP N N 15 124.9 0.1 . 1 . . . . . . . . 5102 2 131 . 1 1 52 52 ASP H H 1 8.42 0.02 . 1 . . . . . . . . 5102 2 132 . 1 1 52 52 ASP CA C 13 53.7 0.1 . 1 . . . . . . . . 5102 2 133 . 1 1 53 53 HIS N N 15 120.0 0.1 . 1 . . . . . . . . 5102 2 134 . 1 1 53 53 HIS H H 1 8.53 0.02 . 1 . . . . . . . . 5102 2 135 . 1 1 53 53 HIS CA C 13 55.6 0.1 . 1 . . . . . . . . 5102 2 136 . 1 1 54 54 ALA N N 15 124.6 0.1 . 1 . . . . . . . . 5102 2 137 . 1 1 54 54 ALA H H 1 8.36 0.02 . 1 . . . . . . . . 5102 2 138 . 1 1 54 54 ALA CA C 13 52.9 0.1 . 1 . . . . . . . . 5102 2 139 . 1 1 55 55 LYS N N 15 120.9 0.1 . 1 . . . . . . . . 5102 2 140 . 1 1 55 55 LYS H H 1 8.26 0.02 . 1 . . . . . . . . 5102 2 141 . 1 1 55 55 LYS CA C 13 56.5 0.1 . 1 . . . . . . . . 5102 2 142 . 1 1 56 56 VAL N N 15 121.7 0.1 . 1 . . . . . . . . 5102 2 143 . 1 1 56 56 VAL H H 1 8.07 0.02 . 1 . . . . . . . . 5102 2 144 . 1 1 56 56 VAL CA C 13 62.4 0.1 . 1 . . . . . . . . 5102 2 145 . 1 1 57 57 ARG N N 15 125.8 0.1 . 1 . . . . . . . . 5102 2 146 . 1 1 57 57 ARG H H 1 8.41 0.02 . 1 . . . . . . . . 5102 2 147 . 1 1 57 57 ARG CA C 13 56.0 0.1 . 1 . . . . . . . . 5102 2 148 . 1 1 58 58 LYS N N 15 122.7 0.1 . 1 . . . . . . . . 5102 2 149 . 1 1 58 58 LYS H H 1 8.33 0.02 . 1 . . . . . . . . 5102 2 150 . 1 1 58 58 LYS CA C 13 56.5 0.1 . 1 . . . . . . . . 5102 2 151 . 1 1 63 63 PHE N N 15 121.7 0.1 . 1 . . . . . . . . 5102 2 152 . 1 1 63 63 PHE H H 1 8.26 0.02 . 1 . . . . . . . . 5102 2 153 . 1 1 63 63 PHE CA C 13 57.7 0.1 . 1 . . . . . . . . 5102 2 154 . 1 1 64 64 LEU N N 15 123.9 0.1 . 1 . . . . . . . . 5102 2 155 . 1 1 64 64 LEU H H 1 8.18 0.02 . 1 . . . . . . . . 5102 2 156 . 1 1 64 64 LEU CA C 13 55.3 0.1 . 1 . . . . . . . . 5102 2 157 . 1 1 65 65 GLN N N 15 121.0 0.1 . 1 . . . . . . . . 5102 2 158 . 1 1 65 65 GLN H H 1 8.23 0.02 . 1 . . . . . . . . 5102 2 159 . 1 1 65 65 GLN CA C 13 56.0 0.1 . 1 . . . . . . . . 5102 2 160 . 1 1 66 66 ALA N N 15 125.3 0.1 . 1 . . . . . . . . 5102 2 161 . 1 1 66 66 ALA H H 1 8.25 0.02 . 1 . . . . . . . . 5102 2 162 . 1 1 66 66 ALA CA C 13 52.6 0.1 . 1 . . . . . . . . 5102 2 163 . 1 1 67 67 ILE N N 15 119.4 0.1 . 1 . . . . . . . . 5102 2 164 . 1 1 67 67 ILE H H 1 8.00 0.02 . 1 . . . . . . . . 5102 2 165 . 1 1 67 67 ILE CA C 13 61.4 0.1 . 1 . . . . . . . . 5102 2 166 . 1 1 68 68 HIS N N 15 121.9 0.1 . 1 . . . . . . . . 5102 2 167 . 1 1 68 68 HIS H H 1 8.51 0.02 . 1 . . . . . . . . 5102 2 168 . 1 1 68 68 HIS CA C 13 55.1 0.1 . 1 . . . . . . . . 5102 2 169 . 1 1 69 69 GLN N N 15 121.9 0.1 . 1 . . . . . . . . 5102 2 170 . 1 1 69 69 GLN H H 1 8.38 0.02 . 1 . . . . . . . . 5102 2 171 . 1 1 69 69 GLN CA C 13 56.0 0.1 . 1 . . . . . . . . 5102 2 172 . 1 1 70 70 LEU N N 15 124.2 0.1 . 1 . . . . . . . . 5102 2 173 . 1 1 70 70 LEU H H 1 8.38 0.02 . 1 . . . . . . . . 5102 2 174 . 1 1 70 70 LEU CA C 13 55.5 0.1 . 1 . . . . . . . . 5102 2 175 . 1 1 71 71 ARG N N 15 122.0 0.1 . 1 . . . . . . . . 5102 2 176 . 1 1 71 71 ARG H H 1 8.38 0.02 . 1 . . . . . . . . 5102 2 177 . 1 1 71 71 ARG CA C 13 56.3 0.1 . 1 . . . . . . . . 5102 2 178 . 1 1 72 72 SER N N 15 117.0 0.1 . 1 . . . . . . . . 5102 2 179 . 1 1 72 72 SER H H 1 8.29 0.02 . 1 . . . . . . . . 5102 2 180 . 1 1 72 72 SER CA C 13 58.3 0.1 . 1 . . . . . . . . 5102 2 181 . 1 1 73 73 VAL N N 15 122.2 0.1 . 1 . . . . . . . . 5102 2 182 . 1 1 73 73 VAL H H 1 8.14 0.02 . 1 . . . . . . . . 5102 2 183 . 1 1 73 73 VAL CA C 13 62.7 0.1 . 1 . . . . . . . . 5102 2 184 . 1 1 74 74 LYS N N 15 124.2 0.1 . 1 . . . . . . . . 5102 2 185 . 1 1 74 74 LYS H H 1 8.31 0.02 . 1 . . . . . . . . 5102 2 186 . 1 1 74 74 LYS CA C 13 56.8 0.1 . 1 . . . . . . . . 5102 2 187 . 1 1 75 75 MET N N 15 121.6 0.1 . 1 . . . . . . . . 5102 2 188 . 1 1 75 75 MET H H 1 8.32 0.02 . 1 . . . . . . . . 5102 2 189 . 1 1 75 75 MET CA C 13 55.9 0.1 . 1 . . . . . . . . 5102 2 190 . 1 1 77 77 GLN CA C 13 56.0 0.1 . 1 . . . . . . . . 5102 2 191 . 1 1 78 78 ARG N N 15 123.3 0.1 . 1 . . . . . . . . 5102 2 192 . 1 1 78 78 ARG H H 1 8.47 0.02 . 1 . . . . . . . . 5102 2 193 . 1 1 78 78 ARG CA C 13 56.5 0.1 . 1 . . . . . . . . 5102 2 194 . 1 1 79 79 LYS CA C 13 56.5 0.1 . 1 . . . . . . . . 5102 2 195 . 1 1 80 80 LEU N N 15 123.2 0.1 . 1 . . . . . . . . 5102 2 196 . 1 1 80 80 LEU H H 1 8.26 0.02 . 1 . . . . . . . . 5102 2 197 . 1 1 80 80 LEU CA C 13 55.5 0.1 . 1 . . . . . . . . 5102 2 198 . 1 1 81 81 ASN N N 15 119.0 0.1 . 1 . . . . . . . . 5102 2 199 . 1 1 81 81 ASN H H 1 8.41 0.02 . 1 . . . . . . . . 5102 2 200 . 1 1 81 81 ASN CA C 13 53.4 0.1 . 1 . . . . . . . . 5102 2 201 . 1 1 82 82 ASP N N 15 120.2 0.1 . 1 . . . . . . . . 5102 2 202 . 1 1 82 82 ASP H H 1 8.32 0.02 . 1 . . . . . . . . 5102 2 203 . 1 1 82 82 ASP CA C 13 54.1 0.1 . 1 . . . . . . . . 5102 2 204 . 1 1 83 83 GLN N N 15 120.3 0.1 . 1 . . . . . . . . 5102 2 205 . 1 1 83 83 GLN H H 1 8.31 0.02 . 1 . . . . . . . . 5102 2 206 . 1 1 83 83 GLN CA C 13 56.3 0.1 . 1 . . . . . . . . 5102 2 207 . 1 1 84 84 ALA N N 15 124.2 0.1 . 1 . . . . . . . . 5102 2 208 . 1 1 84 84 ALA H H 1 8.25 0.02 . 1 . . . . . . . . 5102 2 209 . 1 1 84 84 ALA CA C 13 53.1 0.1 . 1 . . . . . . . . 5102 2 210 . 1 1 85 85 ASN N N 15 117.4 0.1 . 1 . . . . . . . . 5102 2 211 . 1 1 85 85 ASN H H 1 8.35 0.02 . 1 . . . . . . . . 5102 2 212 . 1 1 85 85 ASN CA C 13 53.5 0.1 . 1 . . . . . . . . 5102 2 213 . 1 1 86 86 THR N N 15 114.3 0.1 . 1 . . . . . . . . 5102 2 214 . 1 1 86 86 THR H H 1 8.05 0.02 . 1 . . . . . . . . 5102 2 215 . 1 1 86 86 THR CA C 13 62.5 0.1 . 1 . . . . . . . . 5102 2 216 . 1 1 87 87 LEU N N 15 123.9 0.1 . 1 . . . . . . . . 5102 2 217 . 1 1 87 87 LEU H H 1 8.20 0.02 . 1 . . . . . . . . 5102 2 218 . 1 1 87 87 LEU CA C 13 55.8 0.1 . 1 . . . . . . . . 5102 2 219 . 1 1 88 88 VAL N N 15 120.4 0.1 . 1 . . . . . . . . 5102 2 220 . 1 1 88 88 VAL H H 1 7.93 0.02 . 1 . . . . . . . . 5102 2 221 . 1 1 88 88 VAL CA C 13 62.9 0.1 . 1 . . . . . . . . 5102 2 222 . 1 1 89 89 ASP N N 15 122.9 0.1 . 1 . . . . . . . . 5102 2 223 . 1 1 89 89 ASP H H 1 8.34 0.02 . 1 . . . . . . . . 5102 2 224 . 1 1 89 89 ASP CA C 13 54.0 0.1 . 1 . . . . . . . . 5102 2 225 . 1 1 90 90 LEU N N 15 123.6 0.1 . 1 . . . . . . . . 5102 2 226 . 1 1 90 90 LEU H H 1 8.25 0.02 . 1 . . . . . . . . 5102 2 227 . 1 1 90 90 LEU CA C 13 56.2 0.1 . 1 . . . . . . . . 5102 2 228 . 1 1 91 91 ALA N N 15 122.9 0.1 . 1 . . . . . . . . 5102 2 229 . 1 1 91 91 ALA H H 1 8.16 0.02 . 1 . . . . . . . . 5102 2 230 . 1 1 91 91 ALA CA C 13 53.5 0.1 . 1 . . . . . . . . 5102 2 231 . 1 1 92 92 LYS N N 15 119.0 0.1 . 1 . . . . . . . . 5102 2 232 . 1 1 92 92 LYS H H 1 8.02 0.02 . 1 . . . . . . . . 5102 2 233 . 1 1 92 92 LYS CA C 13 57.3 0.1 . 1 . . . . . . . . 5102 2 234 . 1 1 93 93 THR N N 15 114.0 0.1 . 1 . . . . . . . . 5102 2 235 . 1 1 93 93 THR H H 1 7.98 0.02 . 1 . . . . . . . . 5102 2 236 . 1 1 93 93 THR CA C 13 63.1 0.1 . 1 . . . . . . . . 5102 2 237 . 1 1 94 94 GLN N N 15 121.7 0.1 . 1 . . . . . . . . 5102 2 238 . 1 1 94 94 GLN H H 1 8.25 0.02 . 1 . . . . . . . . 5102 2 239 . 1 1 94 94 GLN CA C 13 56.6 0.1 . 1 . . . . . . . . 5102 2 240 . 1 1 95 95 LEU N N 15 122.0 0.1 . 1 . . . . . . . . 5102 2 241 . 1 1 95 95 LEU H H 1 8.03 0.02 . 1 . . . . . . . . 5102 2 242 . 1 1 95 95 LEU CA C 13 55.8 0.1 . 1 . . . . . . . . 5102 2 243 . 1 1 96 96 GLU N N 15 119.7 0.1 . 1 . . . . . . . . 5102 2 244 . 1 1 96 96 GLU H H 1 8.10 0.02 . 1 . . . . . . . . 5102 2 245 . 1 1 96 96 GLU CA C 13 56.4 0.1 . 1 . . . . . . . . 5102 2 246 . 1 1 97 97 HIS N N 15 118.4 0.1 . 1 . . . . . . . . 5102 2 247 . 1 1 97 97 HIS H H 1 8.36 0.02 . 1 . . . . . . . . 5102 2 248 . 1 1 97 97 HIS CA C 13 55.3 0.1 . 1 . . . . . . . . 5102 2 249 . 1 1 98 98 HIS N N 15 118.9 0.1 . 1 . . . . . . . . 5102 2 250 . 1 1 98 98 HIS H H 1 8.47 0.02 . 1 . . . . . . . . 5102 2 251 . 1 1 98 98 HIS CA C 13 55.4 0.1 . 1 . . . . . . . . 5102 2 252 . 1 1 100 100 HIS N N 15 119.4 0.1 . 1 . . . . . . . . 5102 2 253 . 1 1 100 100 HIS H H 1 8.57 0.02 . 1 . . . . . . . . 5102 2 254 . 1 1 100 100 HIS CA C 13 55.2 0.1 . 1 . . . . . . . . 5102 2 255 . 1 1 101 101 HIS N N 15 119.4 0.1 . 1 . . . . . . . . 5102 2 256 . 1 1 101 101 HIS H H 1 8.62 0.02 . 1 . . . . . . . . 5102 2 257 . 1 1 101 101 HIS CA C 13 55.9 0.1 . 1 . . . . . . . . 5102 2 stop_ save_ save_shift_set_3 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_3 _Assigned_chem_shift_list.Entry_ID 5102 _Assigned_chem_shift_list.ID 3 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_2 . 5102 3 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 2 2 GLY C C 13 170.0 0.1 . 1 . . . . . . . . 5102 3 2 . 1 1 3 3 ARG N N 15 121.2 0.1 . 1 . . . . . . . . 5102 3 3 . 1 1 3 3 ARG H H 1 8.60 0.02 . 1 . . . . . . . . 5102 3 4 . 1 1 3 3 ARG C C 13 176.2 0.1 . 1 . . . . . . . . 5102 3 5 . 1 1 4 4 LYS N N 15 123.7 0.1 . 1 . . . . . . . . 5102 3 6 . 1 1 4 4 LYS H H 1 8.51 0.02 . 1 . . . . . . . . 5102 3 7 . 1 1 4 4 LYS C C 13 176.4 0.1 . 1 . . . . . . . . 5102 3 8 . 1 1 5 5 LEU N N 15 124.6 0.1 . 1 . . . . . . . . 5102 3 9 . 1 1 5 5 LEU H H 1 8.36 0.02 . 1 . . . . . . . . 5102 3 10 . 1 1 5 5 LEU C C 13 177.2 0.1 . 1 . . . . . . . . 5102 3 11 . 1 1 6 6 GLU N N 15 122.0 0.1 . 1 . . . . . . . . 5102 3 12 . 1 1 6 6 GLU H H 1 8.42 0.02 . 1 . . . . . . . . 5102 3 13 . 1 1 6 6 GLU C C 13 176.1 0.1 . 1 . . . . . . . . 5102 3 14 . 1 1 7 7 LEU N N 15 123.9 0.1 . 1 . . . . . . . . 5102 3 15 . 1 1 7 7 LEU H H 1 8.33 0.02 . 1 . . . . . . . . 5102 3 16 . 1 1 7 7 LEU C C 13 177.7 0.1 . 1 . . . . . . . . 5102 3 17 . 1 1 8 8 THR N N 15 114.8 0.1 . 1 . . . . . . . . 5102 3 18 . 1 1 8 8 THR H H 1 8.13 0.02 . 1 . . . . . . . . 5102 3 19 . 1 1 8 8 THR C C 13 174.7 0.1 . 1 . . . . . . . . 5102 3 20 . 1 1 9 9 LYS N N 15 123.5 0.1 . 1 . . . . . . . . 5102 3 21 . 1 1 9 9 LYS H H 1 8.33 0.02 . 1 . . . . . . . . 5102 3 22 . 1 1 9 9 LYS C C 13 176.5 0.1 . 1 . . . . . . . . 5102 3 23 . 1 1 10 10 ALA N N 15 124.6 0.1 . 1 . . . . . . . . 5102 3 24 . 1 1 10 10 ALA H H 1 8.24 0.02 . 1 . . . . . . . . 5102 3 25 . 1 1 10 10 ALA C C 13 177.9 0.1 . 1 . . . . . . . . 5102 3 26 . 1 1 11 11 GLU N N 15 119.7 0.1 . 1 . . . . . . . . 5102 3 27 . 1 1 11 11 GLU H H 1 8.20 0.02 . 1 . . . . . . . . 5102 3 28 . 1 1 11 11 GLU C C 13 176.2 0.1 . 1 . . . . . . . . 5102 3 29 . 1 1 12 12 LYS N N 15 121.9 0.1 . 1 . . . . . . . . 5102 3 30 . 1 1 12 12 LYS H H 1 8.24 0.02 . 1 . . . . . . . . 5102 3 31 . 1 1 12 12 LYS C C 13 176.3 0.1 . 1 . . . . . . . . 5102 3 32 . 1 1 13 13 HIS N N 15 120.0 0.1 . 1 . . . . . . . . 5102 3 33 . 1 1 13 13 HIS H H 1 8.54 0.02 . 1 . . . . . . . . 5102 3 34 . 1 1 13 13 HIS C C 13 174.3 0.1 . 1 . . . . . . . . 5102 3 35 . 1 1 14 14 VAL N N 15 120.9 0.1 . 1 . . . . . . . . 5102 3 36 . 1 1 14 14 VAL H H 1 8.14 0.02 . 1 . . . . . . . . 5102 3 37 . 1 1 14 14 VAL C C 13 175.8 0.1 . 1 . . . . . . . . 5102 3 38 . 1 1 15 15 HIS N N 15 121.9 0.1 . 1 . . . . . . . . 5102 3 39 . 1 1 15 15 HIS H H 1 8.58 0.02 . 1 . . . . . . . . 5102 3 40 . 1 1 15 15 HIS C C 13 173.7 0.1 . 1 . . . . . . . . 5102 3 41 . 1 1 16 16 ASN N N 15 121.2 0.1 . 1 . . . . . . . . 5102 3 42 . 1 1 16 16 ASN H H 1 8.43 0.02 . 1 . . . . . . . . 5102 3 43 . 1 1 21 21 THR C C 13 174.9 0.1 . 1 . . . . . . . . 5102 3 44 . 1 1 22 22 GLN N N 15 122.0 0.1 . 1 . . . . . . . . 5102 3 45 . 1 1 22 22 GLN H H 1 8.42 0.02 . 1 . . . . . . . . 5102 3 46 . 1 1 22 22 GLN C C 13 176.3 0.1 . 1 . . . . . . . . 5102 3 47 . 1 1 23 23 LEU N N 15 122.6 0.1 . 1 . . . . . . . . 5102 3 48 . 1 1 23 23 LEU H H 1 8.17 0.02 . 1 . . . . . . . . 5102 3 49 . 1 1 23 23 LEU C C 13 177.8 0.1 . 1 . . . . . . . . 5102 3 50 . 1 1 24 24 THR N N 15 114.4 0.1 . 1 . . . . . . . . 5102 3 51 . 1 1 24 24 THR H H 1 8.01 0.02 . 1 . . . . . . . . 5102 3 52 . 1 1 24 24 THR C C 13 174.6 0.1 . 1 . . . . . . . . 5102 3 53 . 1 1 25 25 LYS N N 15 123.6 0.1 . 1 . . . . . . . . 5102 3 54 . 1 1 25 25 LYS H H 1 8.20 0.02 . 1 . . . . . . . . 5102 3 55 . 1 1 26 26 ARG C C 13 176.4 0.1 . 1 . . . . . . . . 5102 3 56 . 1 1 27 27 VAL N N 15 121.7 0.1 . 1 . . . . . . . . 5102 3 57 . 1 1 27 27 VAL H H 1 8.16 0.02 . 1 . . . . . . . . 5102 3 58 . 1 1 27 27 VAL C C 13 176.2 0.1 . 1 . . . . . . . . 5102 3 59 . 1 1 28 28 LYS N N 15 125.2 0.1 . 1 . . . . . . . . 5102 3 60 . 1 1 28 28 LYS H H 1 8.42 0.02 . 1 . . . . . . . . 5102 3 61 . 1 1 28 28 LYS C C 13 176.3 0.1 . 1 . . . . . . . . 5102 3 62 . 1 1 29 29 ASN N N 15 120.2 0.1 . 1 . . . . . . . . 5102 3 63 . 1 1 29 29 ASN H H 1 8.43 0.02 . 1 . . . . . . . . 5102 3 64 . 1 1 29 29 ASN C C 13 175.0 0.1 . 1 . . . . . . . . 5102 3 65 . 1 1 30 30 ALA N N 15 124.9 0.1 . 1 . . . . . . . . 5102 3 66 . 1 1 30 30 ALA H H 1 8.30 0.02 . 1 . . . . . . . . 5102 3 67 . 1 1 30 30 ALA C C 13 177.6 0.1 . 1 . . . . . . . . 5102 3 68 . 1 1 31 31 ALA N N 15 122.7 0.1 . 1 . . . . . . . . 5102 3 69 . 1 1 31 31 ALA H H 1 8.21 0.02 . 1 . . . . . . . . 5102 3 70 . 1 1 31 31 ALA C C 13 177.7 0.1 . 1 . . . . . . . . 5102 3 71 . 1 1 32 32 ALA N N 15 122.3 0.1 . 1 . . . . . . . . 5102 3 72 . 1 1 32 32 ALA H H 1 8.11 0.02 . 1 . . . . . . . . 5102 3 73 . 1 1 32 32 ALA C C 13 177.7 0.1 . 1 . . . . . . . . 5102 3 74 . 1 1 33 33 ASN N N 15 117.6 0.1 . 1 . . . . . . . . 5102 3 75 . 1 1 33 33 ASN H H 1 8.28 0.02 . 1 . . . . . . . . 5102 3 76 . 1 1 33 33 ASN C C 13 175.3 0.1 . 1 . . . . . . . . 5102 3 77 . 1 1 34 34 VAL N N 15 120.2 0.1 . 1 . . . . . . . . 5102 3 78 . 1 1 34 34 VAL H H 1 7.94 0.02 . 1 . . . . . . . . 5102 3 79 . 1 1 34 34 VAL C C 13 175.5 0.1 . 1 . . . . . . . . 5102 3 80 . 1 1 35 35 LEU N N 15 124.0 0.1 . 1 . . . . . . . . 5102 3 81 . 1 1 35 35 LEU H H 1 8.18 0.02 . 1 . . . . . . . . 5102 3 82 . 1 1 35 35 LEU C C 13 177.0 0.1 . 1 . . . . . . . . 5102 3 83 . 1 1 36 36 ARG N N 15 122.2 0.1 . 1 . . . . . . . . 5102 3 84 . 1 1 36 36 ARG H H 1 8.24 0.02 . 1 . . . . . . . . 5102 3 85 . 1 1 47 47 LEU C C 13 176.7 0.1 . 1 . . . . . . . . 5102 3 86 . 1 1 48 48 VAL N N 15 121.7 0.1 . 1 . . . . . . . . 5102 3 87 . 1 1 48 48 VAL H H 1 8.08 0.02 . 1 . . . . . . . . 5102 3 88 . 1 1 48 48 VAL C C 13 175.9 0.1 . 1 . . . . . . . . 5102 3 89 . 1 1 49 49 LYS N N 15 126.2 0.1 . 1 . . . . . . . . 5102 3 90 . 1 1 49 49 LYS H H 1 8.36 0.02 . 1 . . . . . . . . 5102 3 91 . 1 1 49 49 LYS C C 13 176.2 0.1 . 1 . . . . . . . . 5102 3 92 . 1 1 50 50 LYS N N 15 123.9 0.1 . 1 . . . . . . . . 5102 3 93 . 1 1 50 50 LYS H H 1 8.36 0.02 . 1 . . . . . . . . 5102 3 94 . 1 1 50 50 LYS C C 13 176.3 0.1 . 1 . . . . . . . . 5102 3 95 . 1 1 51 51 ILE N N 15 123.0 0.1 . 1 . . . . . . . . 5102 3 96 . 1 1 51 51 ILE H H 1 8.23 0.02 . 1 . . . . . . . . 5102 3 97 . 1 1 51 51 ILE C C 13 175.6 0.1 . 1 . . . . . . . . 5102 3 98 . 1 1 52 52 ASP N N 15 124.9 0.1 . 1 . . . . . . . . 5102 3 99 . 1 1 52 52 ASP H H 1 8.42 0.02 . 1 . . . . . . . . 5102 3 100 . 1 1 52 52 ASP C C 13 175.9 0.1 . 1 . . . . . . . . 5102 3 101 . 1 1 53 53 HIS N N 15 120.0 0.1 . 1 . . . . . . . . 5102 3 102 . 1 1 53 53 HIS H H 1 8.53 0.02 . 1 . . . . . . . . 5102 3 103 . 1 1 53 53 HIS C C 13 174.3 0.1 . 1 . . . . . . . . 5102 3 104 . 1 1 54 54 ALA N N 15 124.7 0.1 . 1 . . . . . . . . 5102 3 105 . 1 1 54 54 ALA H H 1 8.36 0.02 . 1 . . . . . . . . 5102 3 106 . 1 1 54 54 ALA C C 13 177.9 0.1 . 1 . . . . . . . . 5102 3 107 . 1 1 55 55 LYS N N 15 120.9 0.1 . 1 . . . . . . . . 5102 3 108 . 1 1 55 55 LYS H H 1 8.26 0.02 . 1 . . . . . . . . 5102 3 109 . 1 1 55 55 LYS C C 13 176.7 0.1 . 1 . . . . . . . . 5102 3 110 . 1 1 56 56 VAL N N 15 122.0 0.1 . 1 . . . . . . . . 5102 3 111 . 1 1 56 56 VAL H H 1 8.07 0.02 . 1 . . . . . . . . 5102 3 112 . 1 1 56 56 VAL C C 13 176.1 0.1 . 1 . . . . . . . . 5102 3 113 . 1 1 57 57 ARG N N 15 125.8 0.1 . 1 . . . . . . . . 5102 3 114 . 1 1 57 57 ARG H H 1 8.42 0.02 . 1 . . . . . . . . 5102 3 115 . 1 1 57 57 ARG C C 13 176.2 0.1 . 1 . . . . . . . . 5102 3 116 . 1 1 58 58 LYS N N 15 122.7 0.1 . 1 . . . . . . . . 5102 3 117 . 1 1 58 58 LYS H H 1 8.34 0.02 . 1 . . . . . . . . 5102 3 118 . 1 1 58 58 LYS C C 13 176.5 0.1 . 1 . . . . . . . . 5102 3 119 . 1 1 59 59 HIS N N 15 119.6 0.1 . 1 . . . . . . . . 5102 3 120 . 1 1 59 59 HIS H H 1 8.58 0.02 . 1 . . . . . . . . 5102 3 121 . 1 1 59 59 HIS C C 13 174.3 0.1 . 1 . . . . . . . . 5102 3 122 . 1 1 60 60 GLN N N 15 122.3 0.1 . 1 . . . . . . . . 5102 3 123 . 1 1 60 60 GLN H H 1 8.47 0.02 . 1 . . . . . . . . 5102 3 124 . 1 1 60 60 GLN C C 13 176.1 0.1 . 1 . . . . . . . . 5102 3 125 . 1 1 61 61 ARG N N 15 122.5 0.1 . 1 . . . . . . . . 5102 3 126 . 1 1 61 61 ARG H H 1 8.30 0.02 . 1 . . . . . . . . 5102 3 127 . 1 1 61 61 ARG C C 13 176.3 0.1 . 1 . . . . . . . . 5102 3 128 . 1 1 62 62 LYS N N 15 122.5 0.1 . 1 . . . . . . . . 5102 3 129 . 1 1 62 62 LYS H H 1 8.33 0.02 . 1 . . . . . . . . 5102 3 130 . 1 1 62 62 LYS C C 13 176.2 0.1 . 1 . . . . . . . . 5102 3 131 . 1 1 63 63 PHE N N 15 121.4 0.1 . 1 . . . . . . . . 5102 3 132 . 1 1 63 63 PHE H H 1 8.26 0.02 . 1 . . . . . . . . 5102 3 133 . 1 1 63 63 PHE C C 13 175.5 0.1 . 1 . . . . . . . . 5102 3 134 . 1 1 64 64 LEU N N 15 123.9 0.1 . 1 . . . . . . . . 5102 3 135 . 1 1 64 64 LEU H H 1 8.18 0.02 . 1 . . . . . . . . 5102 3 136 . 1 1 64 64 LEU C C 13 177.0 0.1 . 1 . . . . . . . . 5102 3 137 . 1 1 65 65 GLN N N 15 121.2 0.1 . 1 . . . . . . . . 5102 3 138 . 1 1 65 65 GLN H H 1 8.23 0.02 . 1 . . . . . . . . 5102 3 139 . 1 1 65 65 GLN C C 13 175.7 0.1 . 1 . . . . . . . . 5102 3 140 . 1 1 66 66 ALA N N 15 125.5 0.1 . 1 . . . . . . . . 5102 3 141 . 1 1 66 66 ALA H H 1 8.25 0.02 . 1 . . . . . . . . 5102 3 142 . 1 1 66 66 ALA C C 13 177.7 0.1 . 1 . . . . . . . . 5102 3 143 . 1 1 67 67 ILE N N 15 119.4 0.1 . 1 . . . . . . . . 5102 3 144 . 1 1 67 67 ILE H H 1 8.00 0.02 . 1 . . . . . . . . 5102 3 145 . 1 1 67 67 ILE C C 13 176.3 0.1 . 1 . . . . . . . . 5102 3 146 . 1 1 68 68 HIS N N 15 122.0 0.1 . 1 . . . . . . . . 5102 3 147 . 1 1 68 68 HIS H H 1 8.50 0.02 . 1 . . . . . . . . 5102 3 148 . 1 1 68 68 HIS C C 13 174.2 0.1 . 1 . . . . . . . . 5102 3 149 . 1 1 69 69 GLN N N 15 121.9 0.1 . 1 . . . . . . . . 5102 3 150 . 1 1 69 69 GLN H H 1 8.39 0.02 . 1 . . . . . . . . 5102 3 151 . 1 1 69 69 GLN C C 13 175.8 0.1 . 1 . . . . . . . . 5102 3 152 . 1 1 70 70 LEU N N 15 124.2 0.1 . 1 . . . . . . . . 5102 3 153 . 1 1 70 70 LEU H H 1 8.38 0.02 . 1 . . . . . . . . 5102 3 154 . 1 1 70 70 LEU C C 13 177.4 0.1 . 1 . . . . . . . . 5102 3 155 . 1 1 71 71 ARG N N 15 122.0 0.1 . 1 . . . . . . . . 5102 3 156 . 1 1 71 71 ARG H H 1 8.38 0.02 . 1 . . . . . . . . 5102 3 157 . 1 1 71 71 ARG C C 13 176.3 0.1 . 1 . . . . . . . . 5102 3 158 . 1 1 72 72 SER N N 15 117.0 0.1 . 1 . . . . . . . . 5102 3 159 . 1 1 72 72 SER H H 1 8.29 0.02 . 1 . . . . . . . . 5102 3 160 . 1 1 72 72 SER C C 13 174.7 0.1 . 1 . . . . . . . . 5102 3 161 . 1 1 73 73 VAL N N 15 122.2 0.1 . 1 . . . . . . . . 5102 3 162 . 1 1 73 73 VAL H H 1 8.14 0.02 . 1 . . . . . . . . 5102 3 163 . 1 1 73 73 VAL C C 13 176.4 0.1 . 1 . . . . . . . . 5102 3 164 . 1 1 74 74 LYS N N 15 124.2 0.1 . 1 . . . . . . . . 5102 3 165 . 1 1 74 74 LYS H H 1 8.31 0.02 . 1 . . . . . . . . 5102 3 166 . 1 1 74 74 LYS C C 13 176.9 0.1 . 1 . . . . . . . . 5102 3 167 . 1 1 75 75 MET N N 15 121.6 0.1 . 1 . . . . . . . . 5102 3 168 . 1 1 75 75 MET H H 1 8.33 0.02 . 1 . . . . . . . . 5102 3 169 . 1 1 75 75 MET C C 13 176.5 0.1 . 1 . . . . . . . . 5102 3 170 . 1 1 76 76 GLU N N 15 121.7 0.1 . 1 . . . . . . . . 5102 3 171 . 1 1 76 76 GLU H H 1 8.38 0.02 . 1 . . . . . . . . 5102 3 172 . 1 1 76 76 GLU C C 13 176.4 0.1 . 1 . . . . . . . . 5102 3 173 . 1 1 77 77 GLN N N 15 121.4 0.1 . 1 . . . . . . . . 5102 3 174 . 1 1 77 77 GLN H H 1 8.38 0.02 . 1 . . . . . . . . 5102 3 175 . 1 1 77 77 GLN C C 13 175.8 0.1 . 1 . . . . . . . . 5102 3 176 . 1 1 78 78 ARG N N 15 123.5 0.1 . 1 . . . . . . . . 5102 3 177 . 1 1 78 78 ARG H H 1 8.47 0.02 . 1 . . . . . . . . 5102 3 178 . 1 1 79 79 LYS C C 13 176.7 0.1 . 1 . . . . . . . . 5102 3 179 . 1 1 80 80 LEU N N 15 123.3 0.1 . 1 . . . . . . . . 5102 3 180 . 1 1 80 80 LEU H H 1 8.26 0.02 . 1 . . . . . . . . 5102 3 181 . 1 1 80 80 LEU C C 13 177.3 0.1 . 1 . . . . . . . . 5102 3 182 . 1 1 81 81 ASN N N 15 118.9 0.1 . 1 . . . . . . . . 5102 3 183 . 1 1 81 81 ASN H H 1 8.41 0.02 . 1 . . . . . . . . 5102 3 184 . 1 1 81 81 ASN C C 13 175.1 0.1 . 1 . . . . . . . . 5102 3 185 . 1 1 82 82 ASP N N 15 120.2 0.1 . 1 . . . . . . . . 5102 3 186 . 1 1 82 82 ASP H H 1 8.31 0.02 . 1 . . . . . . . . 5102 3 187 . 1 1 82 82 ASP C C 13 176.0 0.1 . 1 . . . . . . . . 5102 3 188 . 1 1 83 83 GLN N N 15 120.2 0.1 . 1 . . . . . . . . 5102 3 189 . 1 1 83 83 GLN H H 1 8.30 0.02 . 1 . . . . . . . . 5102 3 190 . 1 1 83 83 GLN C C 13 176.0 0.1 . 1 . . . . . . . . 5102 3 191 . 1 1 84 84 ALA N N 15 124.2 0.1 . 1 . . . . . . . . 5102 3 192 . 1 1 84 84 ALA H H 1 8.26 0.02 . 1 . . . . . . . . 5102 3 193 . 1 1 84 84 ALA C C 13 177.7 0.1 . 1 . . . . . . . . 5102 3 194 . 1 1 85 85 ASN N N 15 117.6 0.1 . 1 . . . . . . . . 5102 3 195 . 1 1 85 85 ASN H H 1 8.35 0.02 . 1 . . . . . . . . 5102 3 196 . 1 1 85 85 ASN C C 13 175.6 0.1 . 1 . . . . . . . . 5102 3 197 . 1 1 86 86 THR N N 15 114.3 0.1 . 1 . . . . . . . . 5102 3 198 . 1 1 86 86 THR H H 1 8.06 0.02 . 1 . . . . . . . . 5102 3 199 . 1 1 86 86 THR C C 13 174.7 0.1 . 1 . . . . . . . . 5102 3 200 . 1 1 87 87 LEU N N 15 124.0 0.1 . 1 . . . . . . . . 5102 3 201 . 1 1 87 87 LEU H H 1 8.20 0.02 . 1 . . . . . . . . 5102 3 202 . 1 1 87 87 LEU C C 13 177.8 0.1 . 1 . . . . . . . . 5102 3 203 . 1 1 88 88 VAL N N 15 120.3 0.1 . 1 . . . . . . . . 5102 3 204 . 1 1 88 88 VAL H H 1 7.94 0.02 . 1 . . . . . . . . 5102 3 205 . 1 1 88 88 VAL C C 13 176.0 0.1 . 1 . . . . . . . . 5102 3 206 . 1 1 89 89 ASP N N 15 122.6 0.1 . 1 . . . . . . . . 5102 3 207 . 1 1 89 89 ASP H H 1 8.36 0.02 . 1 . . . . . . . . 5102 3 208 . 1 1 89 89 ASP C C 13 176.4 0.1 . 1 . . . . . . . . 5102 3 209 . 1 1 90 90 LEU N N 15 123.6 0.1 . 1 . . . . . . . . 5102 3 210 . 1 1 90 90 LEU H H 1 8.26 0.02 . 1 . . . . . . . . 5102 3 211 . 1 1 90 90 LEU C C 13 177.9 0.1 . 1 . . . . . . . . 5102 3 212 . 1 1 91 91 ALA N N 15 123.0 0.1 . 1 . . . . . . . . 5102 3 213 . 1 1 91 91 ALA H H 1 8.17 0.02 . 1 . . . . . . . . 5102 3 214 . 1 1 91 91 ALA C C 13 178.8 0.1 . 1 . . . . . . . . 5102 3 215 . 1 1 92 92 LYS N N 15 119.1 0.1 . 1 . . . . . . . . 5102 3 216 . 1 1 92 92 LYS H H 1 8.02 0.02 . 1 . . . . . . . . 5102 3 217 . 1 1 92 92 LYS C C 13 177.7 0.1 . 1 . . . . . . . . 5102 3 218 . 1 1 93 93 THR N N 15 113.8 0.1 . 1 . . . . . . . . 5102 3 219 . 1 1 93 93 THR H H 1 7.99 0.02 . 1 . . . . . . . . 5102 3 220 . 1 1 93 93 THR C C 13 175.3 0.1 . 1 . . . . . . . . 5102 3 221 . 1 1 94 94 GLN N N 15 121.9 0.1 . 1 . . . . . . . . 5102 3 222 . 1 1 94 94 GLN H H 1 8.26 0.02 . 1 . . . . . . . . 5102 3 223 . 1 1 94 94 GLN C C 13 176.5 0.1 . 1 . . . . . . . . 5102 3 224 . 1 1 95 95 LEU N N 15 122.0 0.1 . 1 . . . . . . . . 5102 3 225 . 1 1 95 95 LEU H H 1 8.04 0.02 . 1 . . . . . . . . 5102 3 226 . 1 1 95 95 LEU C C 13 177.7 0.1 . 1 . . . . . . . . 5102 3 227 . 1 1 96 96 GLU N N 15 119.9 0.1 . 1 . . . . . . . . 5102 3 228 . 1 1 96 96 GLU H H 1 8.11 0.02 . 1 . . . . . . . . 5102 3 229 . 1 1 96 96 GLU C C 13 176.4 0.1 . 1 . . . . . . . . 5102 3 230 . 1 1 97 97 HIS N N 15 118.3 0.1 . 1 . . . . . . . . 5102 3 231 . 1 1 97 97 HIS H H 1 8.36 0.02 . 1 . . . . . . . . 5102 3 stop_ save_ save_shift_set_4 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_4 _Assigned_chem_shift_list.Entry_ID 5102 _Assigned_chem_shift_list.ID 4 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_2 . 5102 4 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 2 2 GLY CA C 13 43.2 0.1 . 1 . . . . . . . . 5102 4 2 . 1 1 3 3 ARG N N 15 121.0 0.1 . 1 . . . . . . . . 5102 4 3 . 1 1 3 3 ARG H H 1 8.60 0.02 . 1 . . . . . . . . 5102 4 4 . 1 1 3 3 ARG CA C 13 56.2 0.1 . 1 . . . . . . . . 5102 4 5 . 1 1 3 3 ARG CB C 13 31.2 0.1 . 1 . . . . . . . . 5102 4 6 . 1 1 4 4 LYS N N 15 123.8 0.1 . 1 . . . . . . . . 5102 4 7 . 1 1 4 4 LYS H H 1 8.51 0.02 . 1 . . . . . . . . 5102 4 8 . 1 1 4 4 LYS CA C 13 56.7 0.1 . 1 . . . . . . . . 5102 4 9 . 1 1 4 4 LYS CB C 13 32.9 0.1 . 1 . . . . . . . . 5102 4 10 . 1 1 5 5 LEU N N 15 124.7 0.1 . 1 . . . . . . . . 5102 4 11 . 1 1 5 5 LEU H H 1 8.35 0.02 . 1 . . . . . . . . 5102 4 12 . 1 1 6 6 GLU CA C 13 55.8 0.1 . 1 . . . . . . . . 5102 4 13 . 1 1 6 6 GLU CB C 13 29.3 0.1 . 1 . . . . . . . . 5102 4 14 . 1 1 7 7 LEU N N 15 123.8 0.1 . 1 . . . . . . . . 5102 4 15 . 1 1 7 7 LEU H H 1 8.32 0.02 . 1 . . . . . . . . 5102 4 16 . 1 1 7 7 LEU CA C 13 55.3 0.1 . 1 . . . . . . . . 5102 4 17 . 1 1 7 7 LEU CB C 13 42.4 0.1 . 1 . . . . . . . . 5102 4 18 . 1 1 8 8 THR N N 15 114.8 0.1 . 1 . . . . . . . . 5102 4 19 . 1 1 8 8 THR H H 1 8.12 0.02 . 1 . . . . . . . . 5102 4 20 . 1 1 8 8 THR CA C 13 62.0 0.1 . 1 . . . . . . . . 5102 4 21 . 1 1 8 8 THR CB C 13 69.9 0.1 . 1 . . . . . . . . 5102 4 22 . 1 1 9 9 LYS N N 15 123.5 0.1 . 1 . . . . . . . . 5102 4 23 . 1 1 9 9 LYS H H 1 8.33 0.02 . 1 . . . . . . . . 5102 4 24 . 1 1 9 9 LYS CA C 13 56.9 0.1 . 1 . . . . . . . . 5102 4 25 . 1 1 9 9 LYS CB C 13 32.9 0.1 . 1 . . . . . . . . 5102 4 26 . 1 1 10 10 ALA N N 15 124.7 0.1 . 1 . . . . . . . . 5102 4 27 . 1 1 10 10 ALA H H 1 8.24 0.02 . 1 . . . . . . . . 5102 4 28 . 1 1 10 10 ALA CA C 13 52.8 0.1 . 1 . . . . . . . . 5102 4 29 . 1 1 10 10 ALA CB C 13 19.1 0.1 . 1 . . . . . . . . 5102 4 30 . 1 1 11 11 GLU N N 15 119.7 0.1 . 1 . . . . . . . . 5102 4 31 . 1 1 11 11 GLU H H 1 8.19 0.02 . 1 . . . . . . . . 5102 4 32 . 1 1 11 11 GLU CA C 13 56.1 0.1 . 1 . . . . . . . . 5102 4 33 . 1 1 11 11 GLU CB C 13 29.6 0.1 . 1 . . . . . . . . 5102 4 34 . 1 1 12 12 LYS N N 15 121.9 0.1 . 1 . . . . . . . . 5102 4 35 . 1 1 12 12 LYS H H 1 8.23 0.02 . 1 . . . . . . . . 5102 4 36 . 1 1 12 12 LYS CA C 13 56.4 0.1 . 1 . . . . . . . . 5102 4 37 . 1 1 12 12 LYS CB C 13 33.1 0.1 . 1 . . . . . . . . 5102 4 38 . 1 1 13 13 HIS N N 15 119.9 0.1 . 1 . . . . . . . . 5102 4 39 . 1 1 13 13 HIS H H 1 8.53 0.02 . 1 . . . . . . . . 5102 4 40 . 1 1 13 13 HIS CA C 13 55.1 0.1 . 1 . . . . . . . . 5102 4 41 . 1 1 13 13 HIS CB C 13 28.9 0.1 . 1 . . . . . . . . 5102 4 42 . 1 1 14 14 VAL N N 15 120.9 0.1 . 1 . . . . . . . . 5102 4 43 . 1 1 14 14 VAL H H 1 8.14 0.02 . 1 . . . . . . . . 5102 4 44 . 1 1 14 14 VAL CA C 13 62.5 0.1 . 1 . . . . . . . . 5102 4 45 . 1 1 14 14 VAL CB C 13 32.8 0.1 . 1 . . . . . . . . 5102 4 46 . 1 1 15 15 HIS N N 15 121.8 0.1 . 1 . . . . . . . . 5102 4 47 . 1 1 15 15 HIS H H 1 8.59 0.02 . 1 . . . . . . . . 5102 4 48 . 1 1 15 15 HIS CA C 13 55.0 0.1 . 1 . . . . . . . . 5102 4 49 . 1 1 15 15 HIS CB C 13 29.1 0.1 . 1 . . . . . . . . 5102 4 50 . 1 1 16 16 ASN N N 15 121.0 0.1 . 1 . . . . . . . . 5102 4 51 . 1 1 16 16 ASN H H 1 8.43 0.02 . 1 . . . . . . . . 5102 4 52 . 1 1 16 16 ASN CA C 13 52.9 0.1 . 1 . . . . . . . . 5102 4 53 . 1 1 16 16 ASN CB C 13 38.7 0.1 . 1 . . . . . . . . 5102 4 54 . 1 1 17 17 PHE N N 15 120.9 0.1 . 1 . . . . . . . . 5102 4 55 . 1 1 17 17 PHE H H 1 8.27 0.02 . 1 . . . . . . . . 5102 4 56 . 1 1 18 18 MET CA C 13 55.0 0.1 . 1 . . . . . . . . 5102 4 57 . 1 1 18 18 MET CB C 13 28.9 0.1 . 1 . . . . . . . . 5102 4 58 . 1 1 19 19 MET N N 15 121.3 0.1 . 1 . . . . . . . . 5102 4 59 . 1 1 19 19 MET H H 1 8.19 0.02 . 1 . . . . . . . . 5102 4 60 . 1 1 19 19 MET CA C 13 55.9 0.1 . 1 . . . . . . . . 5102 4 61 . 1 1 19 19 MET CB C 13 33.5 0.1 . 1 . . . . . . . . 5102 4 62 . 1 1 20 20 ASP N N 15 120.6 0.1 . 1 . . . . . . . . 5102 4 63 . 1 1 20 20 ASP H H 1 8.36 0.02 . 1 . . . . . . . . 5102 4 64 . 1 1 20 20 ASP CA C 13 54.0 0.1 . 1 . . . . . . . . 5102 4 65 . 1 1 20 20 ASP CB C 13 39.6 0.1 . 1 . . . . . . . . 5102 4 66 . 1 1 21 21 THR N N 15 114.4 0.1 . 1 . . . . . . . . 5102 4 67 . 1 1 21 21 THR H H 1 8.11 0.02 . 1 . . . . . . . . 5102 4 68 . 1 1 21 21 THR CA C 13 62.4 0.1 . 1 . . . . . . . . 5102 4 69 . 1 1 21 21 THR CB C 13 69.5 0.1 . 1 . . . . . . . . 5102 4 70 . 1 1 22 22 GLN N N 15 122.1 0.1 . 1 . . . . . . . . 5102 4 71 . 1 1 22 22 GLN H H 1 8.42 0.02 . 1 . . . . . . . . 5102 4 72 . 1 1 22 22 GLN CA C 13 56.4 0.1 . 1 . . . . . . . . 5102 4 73 . 1 1 22 22 GLN CB C 13 29.1 0.1 . 1 . . . . . . . . 5102 4 74 . 1 1 23 23 LEU N N 15 122.5 0.1 . 1 . . . . . . . . 5102 4 75 . 1 1 23 23 LEU H H 1 8.17 0.02 . 1 . . . . . . . . 5102 4 76 . 1 1 23 23 LEU CA C 13 55.6 0.1 . 1 . . . . . . . . 5102 4 77 . 1 1 23 23 LEU CB C 13 42.2 0.1 . 1 . . . . . . . . 5102 4 78 . 1 1 24 24 THR N N 15 114.4 0.1 . 1 . . . . . . . . 5102 4 79 . 1 1 24 24 THR H H 1 8.01 0.02 . 1 . . . . . . . . 5102 4 80 . 1 1 24 24 THR CA C 13 62.5 0.1 . 1 . . . . . . . . 5102 4 81 . 1 1 24 24 THR CB C 13 69.6 0.1 . 1 . . . . . . . . 5102 4 82 . 1 1 25 25 LYS N N 15 123.8 0.1 . 1 . . . . . . . . 5102 4 83 . 1 1 25 25 LYS H H 1 8.20 0.02 . 1 . . . . . . . . 5102 4 84 . 1 1 25 25 LYS CA C 13 55.2 0.1 . 1 . . . . . . . . 5102 4 85 . 1 1 25 25 LYS CB C 13 28.9 0.1 . 1 . . . . . . . . 5102 4 86 . 1 1 26 26 ARG N N 15 120.8 0.1 . 1 . . . . . . . . 5102 4 87 . 1 1 26 26 ARG H H 1 8.13 0.02 . 1 . . . . . . . . 5102 4 88 . 1 1 26 26 ARG CA C 13 56.3 0.1 . 1 . . . . . . . . 5102 4 89 . 1 1 26 26 ARG CB C 13 30.8 0.1 . 1 . . . . . . . . 5102 4 90 . 1 1 27 27 VAL N N 15 121.6 0.1 . 1 . . . . . . . . 5102 4 91 . 1 1 27 27 VAL H H 1 8.15 0.02 . 1 . . . . . . . . 5102 4 92 . 1 1 27 27 VAL CA C 13 62.5 0.1 . 1 . . . . . . . . 5102 4 93 . 1 1 27 27 VAL CB C 13 32.8 0.1 . 1 . . . . . . . . 5102 4 94 . 1 1 28 28 LYS N N 15 125.6 0.1 . 1 . . . . . . . . 5102 4 95 . 1 1 28 28 LYS H H 1 8.42 0.02 . 1 . . . . . . . . 5102 4 96 . 1 1 28 28 LYS CA C 13 56.2 0.1 . 1 . . . . . . . . 5102 4 97 . 1 1 28 28 LYS CB C 13 33.1 0.1 . 1 . . . . . . . . 5102 4 98 . 1 1 29 29 ASN N N 15 120.2 0.1 . 1 . . . . . . . . 5102 4 99 . 1 1 29 29 ASN H H 1 8.42 0.02 . 1 . . . . . . . . 5102 4 100 . 1 1 29 29 ASN CA C 13 53.2 0.1 . 1 . . . . . . . . 5102 4 101 . 1 1 29 29 ASN CB C 13 38.8 0.1 . 1 . . . . . . . . 5102 4 102 . 1 1 30 30 ALA N N 15 125.0 0.1 . 1 . . . . . . . . 5102 4 103 . 1 1 30 30 ALA H H 1 8.29 0.02 . 1 . . . . . . . . 5102 4 104 . 1 1 30 30 ALA CA C 13 53.0 0.1 . 1 . . . . . . . . 5102 4 105 . 1 1 31 31 ALA N N 15 122.8 0.1 . 1 . . . . . . . . 5102 4 106 . 1 1 31 31 ALA H H 1 8.21 0.02 . 1 . . . . . . . . 5102 4 107 . 1 1 31 31 ALA CA C 13 52.5 0.1 . 1 . . . . . . . . 5102 4 108 . 1 1 31 31 ALA CB C 13 19.1 0.1 . 1 . . . . . . . . 5102 4 109 . 1 1 32 32 ALA N N 15 122.4 0.1 . 1 . . . . . . . . 5102 4 110 . 1 1 32 32 ALA H H 1 8.11 0.02 . 1 . . . . . . . . 5102 4 111 . 1 1 32 32 ALA CA C 13 52.8 0.1 . 1 . . . . . . . . 5102 4 112 . 1 1 32 32 ALA CB C 13 19.3 0.1 . 1 . . . . . . . . 5102 4 113 . 1 1 33 33 ASN N N 15 117.4 0.1 . 1 . . . . . . . . 5102 4 114 . 1 1 33 33 ASN H H 1 8.28 0.02 . 1 . . . . . . . . 5102 4 115 . 1 1 33 33 ASN CA C 13 53.4 0.1 . 1 . . . . . . . . 5102 4 116 . 1 1 33 33 ASN CB C 13 38.7 0.1 . 1 . . . . . . . . 5102 4 117 . 1 1 34 34 VAL N N 15 120.0 0.1 . 1 . . . . . . . . 5102 4 118 . 1 1 34 34 VAL H H 1 7.93 0.02 . 1 . . . . . . . . 5102 4 119 . 1 1 34 34 VAL CA C 13 63.0 0.1 . 1 . . . . . . . . 5102 4 120 . 1 1 34 34 VAL CB C 13 32.4 0.1 . 1 . . . . . . . . 5102 4 121 . 1 1 35 35 LEU N N 15 124.4 0.1 . 1 . . . . . . . . 5102 4 122 . 1 1 35 35 LEU H H 1 8.15 0.02 . 1 . . . . . . . . 5102 4 123 . 1 1 36 36 ARG CA C 13 56.7 0.1 . 1 . . . . . . . . 5102 4 124 . 1 1 36 36 ARG CB C 13 30.5 0.1 . 1 . . . . . . . . 5102 4 125 . 1 1 37 37 GLU N N 15 120.5 0.1 . 1 . . . . . . . . 5102 4 126 . 1 1 37 37 GLU H H 1 8.22 0.02 . 1 . . . . . . . . 5102 4 127 . 1 1 37 37 GLU CA C 13 56.4 0.1 . 1 . . . . . . . . 5102 4 128 . 1 1 37 37 GLU CB C 13 28.6 0.1 . 1 . . . . . . . . 5102 4 129 . 1 1 38 38 THR N N 15 114.4 0.1 . 1 . . . . . . . . 5102 4 130 . 1 1 38 38 THR H H 1 8.02 0.02 . 1 . . . . . . . . 5102 4 131 . 1 1 38 38 THR CA C 13 63.0 0.1 . 1 . . . . . . . . 5102 4 132 . 1 1 38 38 THR CB C 13 69.4 0.1 . 1 . . . . . . . . 5102 4 133 . 1 1 39 39 TRP N N 15 121.8 0.1 . 1 . . . . . . . . 5102 4 134 . 1 1 39 39 TRP H H 1 7.89 0.02 . 1 . . . . . . . . 5102 4 135 . 1 1 39 39 TRP CA C 13 57.6 0.1 . 1 . . . . . . . . 5102 4 136 . 1 1 39 39 TRP CB C 13 29.1 0.1 . 1 . . . . . . . . 5102 4 137 . 1 1 40 40 LEU N N 15 122.1 0.1 . 1 . . . . . . . . 5102 4 138 . 1 1 40 40 LEU H H 1 7.81 0.02 . 1 . . . . . . . . 5102 4 139 . 1 1 40 40 LEU CA C 13 55.9 0.1 . 1 . . . . . . . . 5102 4 140 . 1 1 40 40 LEU CB C 13 42.1 0.1 . 1 . . . . . . . . 5102 4 141 . 1 1 41 41 ILE N N 15 119.7 0.1 . 1 . . . . . . . . 5102 4 142 . 1 1 41 41 ILE H H 1 7.76 0.02 . 1 . . . . . . . . 5102 4 143 . 1 1 41 41 ILE CA C 13 61.8 0.1 . 1 . . . . . . . . 5102 4 144 . 1 1 41 41 ILE CB C 13 32.7 0.1 . 1 . . . . . . . . 5102 4 145 . 1 1 42 42 TYR N N 15 123.1 0.1 . 1 . . . . . . . . 5102 4 146 . 1 1 42 42 TYR H H 1 8.08 0.02 . 1 . . . . . . . . 5102 4 147 . 1 1 42 42 TYR CA C 13 58.3 0.1 . 1 . . . . . . . . 5102 4 148 . 1 1 42 42 TYR CB C 13 38.6 0.1 . 1 . . . . . . . . 5102 4 149 . 1 1 43 43 LYS N N 15 122.4 0.1 . 1 . . . . . . . . 5102 4 150 . 1 1 43 43 LYS H H 1 8.14 0.02 . 1 . . . . . . . . 5102 4 151 . 1 1 43 43 LYS CA C 13 56.9 0.1 . 1 . . . . . . . . 5102 4 152 . 1 1 43 43 LYS CB C 13 32.8 0.1 . 1 . . . . . . . . 5102 4 153 . 1 1 44 44 ASN N N 15 119.2 0.1 . 1 . . . . . . . . 5102 4 154 . 1 1 44 44 ASN H H 1 8.30 0.02 . 1 . . . . . . . . 5102 4 155 . 1 1 44 44 ASN CA C 13 53.4 0.1 . 1 . . . . . . . . 5102 4 156 . 1 1 44 44 ASN CB C 13 38.7 0.1 . 1 . . . . . . . . 5102 4 157 . 1 1 45 45 THR N N 15 114.4 0.1 . 1 . . . . . . . . 5102 4 158 . 1 1 45 45 THR H H 1 8.05 0.02 . 1 . . . . . . . . 5102 4 159 . 1 1 45 45 THR CA C 13 62.3 0.1 . 1 . . . . . . . . 5102 4 160 . 1 1 45 45 THR CB C 13 69.6 0.1 . 1 . . . . . . . . 5102 4 161 . 1 1 46 46 LYS N N 15 123.5 0.1 . 1 . . . . . . . . 5102 4 162 . 1 1 46 46 LYS H H 1 8.27 0.02 . 1 . . . . . . . . 5102 4 163 . 1 1 46 46 LYS CA C 13 56.6 0.1 . 1 . . . . . . . . 5102 4 164 . 1 1 46 46 LYS CB C 13 32.9 0.1 . 1 . . . . . . . . 5102 4 165 . 1 1 47 47 LEU N N 15 123.1 0.1 . 1 . . . . . . . . 5102 4 166 . 1 1 47 47 LEU H H 1 8.09 0.02 . 1 . . . . . . . . 5102 4 167 . 1 1 47 47 LEU CA C 13 55.2 0.1 . 1 . . . . . . . . 5102 4 168 . 1 1 47 47 LEU CB C 13 42.5 0.1 . 1 . . . . . . . . 5102 4 169 . 1 1 48 48 VAL N N 15 121.9 0.1 . 1 . . . . . . . . 5102 4 170 . 1 1 48 48 VAL H H 1 8.07 0.02 . 1 . . . . . . . . 5102 4 171 . 1 1 48 48 VAL CA C 13 62.3 0.1 . 1 . . . . . . . . 5102 4 172 . 1 1 48 48 VAL CB C 13 32.7 0.1 . 1 . . . . . . . . 5102 4 173 . 1 1 49 49 LYS N N 15 126.1 0.1 . 1 . . . . . . . . 5102 4 174 . 1 1 49 49 LYS H H 1 8.36 0.02 . 1 . . . . . . . . 5102 4 175 . 1 1 50 50 LYS CA C 13 56.4 0.1 . 1 . . . . . . . . 5102 4 176 . 1 1 50 50 LYS CB C 13 33.1 0.1 . 1 . . . . . . . . 5102 4 177 . 1 1 51 51 ILE N N 15 123.1 0.1 . 1 . . . . . . . . 5102 4 178 . 1 1 51 51 ILE H H 1 8.23 0.02 . 1 . . . . . . . . 5102 4 179 . 1 1 51 51 ILE CA C 13 60.8 0.1 . 1 . . . . . . . . 5102 4 180 . 1 1 51 51 ILE CB C 13 38.8 0.1 . 1 . . . . . . . . 5102 4 181 . 1 1 52 52 ASP N N 15 124.8 0.1 . 1 . . . . . . . . 5102 4 182 . 1 1 52 52 ASP H H 1 8.42 0.02 . 1 . . . . . . . . 5102 4 183 . 1 1 52 52 ASP CA C 13 53.6 0.1 . 1 . . . . . . . . 5102 4 184 . 1 1 52 52 ASP CB C 13 40.6 0.1 . 1 . . . . . . . . 5102 4 185 . 1 1 53 53 HIS N N 15 120.0 0.1 . 1 . . . . . . . . 5102 4 186 . 1 1 53 53 HIS H H 1 8.53 0.02 . 1 . . . . . . . . 5102 4 187 . 1 1 53 53 HIS CA C 13 55.6 0.1 . 1 . . . . . . . . 5102 4 188 . 1 1 53 53 HIS CB C 13 28.9 0.1 . 1 . . . . . . . . 5102 4 189 . 1 1 54 54 ALA N N 15 124.7 0.1 . 1 . . . . . . . . 5102 4 190 . 1 1 54 54 ALA H H 1 8.35 0.02 . 1 . . . . . . . . 5102 4 191 . 1 1 54 54 ALA CA C 13 52.8 0.1 . 1 . . . . . . . . 5102 4 192 . 1 1 54 54 ALA CB C 13 19.2 0.1 . 1 . . . . . . . . 5102 4 193 . 1 1 55 55 LYS N N 15 120.9 0.1 . 1 . . . . . . . . 5102 4 194 . 1 1 55 55 LYS H H 1 8.26 0.02 . 1 . . . . . . . . 5102 4 195 . 1 1 55 55 LYS CA C 13 56.6 0.1 . 1 . . . . . . . . 5102 4 196 . 1 1 55 55 LYS CB C 13 32.9 0.1 . 1 . . . . . . . . 5102 4 197 . 1 1 56 56 VAL N N 15 121.8 0.1 . 1 . . . . . . . . 5102 4 198 . 1 1 56 56 VAL H H 1 8.08 0.02 . 1 . . . . . . . . 5102 4 199 . 1 1 56 56 VAL CA C 13 62.4 0.1 . 1 . . . . . . . . 5102 4 200 . 1 1 56 56 VAL CB C 13 33.0 0.1 . 1 . . . . . . . . 5102 4 201 . 1 1 57 57 ARG N N 15 125.6 0.1 . 1 . . . . . . . . 5102 4 202 . 1 1 57 57 ARG H H 1 8.46 0.02 . 1 . . . . . . . . 5102 4 203 . 1 1 57 57 ARG CA C 13 56.5 0.1 . 1 . . . . . . . . 5102 4 204 . 1 1 57 57 ARG CB C 13 30.8 0.1 . 1 . . . . . . . . 5102 4 205 . 1 1 58 58 LYS N N 15 122.8 0.1 . 1 . . . . . . . . 5102 4 206 . 1 1 58 58 LYS H H 1 8.32 0.02 . 1 . . . . . . . . 5102 4 207 . 1 1 58 58 LYS CA C 13 56.5 0.1 . 1 . . . . . . . . 5102 4 208 . 1 1 58 58 LYS CB C 13 33.1 0.1 . 1 . . . . . . . . 5102 4 209 . 1 1 59 59 HIS N N 15 119.5 0.1 . 1 . . . . . . . . 5102 4 210 . 1 1 59 59 HIS H H 1 8.58 0.02 . 1 . . . . . . . . 5102 4 211 . 1 1 59 59 HIS CA C 13 55.4 0.1 . 1 . . . . . . . . 5102 4 212 . 1 1 59 59 HIS CB C 13 29.0 0.1 . 1 . . . . . . . . 5102 4 213 . 1 1 60 60 GLN N N 15 122.4 0.1 . 1 . . . . . . . . 5102 4 214 . 1 1 60 60 GLN H H 1 8.47 0.02 . 1 . . . . . . . . 5102 4 215 . 1 1 60 60 GLN CA C 13 56.3 0.1 . 1 . . . . . . . . 5102 4 216 . 1 1 60 60 GLN CB C 13 29.4 0.1 . 1 . . . . . . . . 5102 4 217 . 1 1 61 61 ARG N N 15 122.2 0.1 . 1 . . . . . . . . 5102 4 218 . 1 1 61 61 ARG H H 1 8.30 0.02 . 1 . . . . . . . . 5102 4 219 . 1 1 62 62 LYS CA C 13 56.7 0.1 . 1 . . . . . . . . 5102 4 220 . 1 1 62 62 LYS CB C 13 33.1 0.1 . 1 . . . . . . . . 5102 4 221 . 1 1 63 63 PHE N N 15 121.6 0.1 . 1 . . . . . . . . 5102 4 222 . 1 1 63 63 PHE H H 1 8.25 0.02 . 1 . . . . . . . . 5102 4 223 . 1 1 63 63 PHE CA C 13 57.7 0.1 . 1 . . . . . . . . 5102 4 224 . 1 1 63 63 PHE CB C 13 39.6 0.1 . 1 . . . . . . . . 5102 4 225 . 1 1 64 64 LEU N N 15 124.0 0.1 . 1 . . . . . . . . 5102 4 226 . 1 1 64 64 LEU H H 1 8.18 0.02 . 1 . . . . . . . . 5102 4 227 . 1 1 64 64 LEU CA C 13 55.3 0.1 . 1 . . . . . . . . 5102 4 228 . 1 1 64 64 LEU CB C 13 42.3 0.1 . 1 . . . . . . . . 5102 4 229 . 1 1 65 65 GLN N N 15 121.0 0.1 . 1 . . . . . . . . 5102 4 230 . 1 1 65 65 GLN H H 1 8.23 0.02 . 1 . . . . . . . . 5102 4 231 . 1 1 65 65 GLN CA C 13 55.9 0.1 . 1 . . . . . . . . 5102 4 232 . 1 1 65 65 GLN CB C 13 29.6 0.1 . 1 . . . . . . . . 5102 4 233 . 1 1 66 66 ALA N N 15 125.3 0.1 . 1 . . . . . . . . 5102 4 234 . 1 1 66 66 ALA H H 1 8.25 0.02 . 1 . . . . . . . . 5102 4 235 . 1 1 66 66 ALA CA C 13 52.7 0.1 . 1 . . . . . . . . 5102 4 236 . 1 1 66 66 ALA CB C 13 19.2 0.1 . 1 . . . . . . . . 5102 4 237 . 1 1 67 67 ILE N N 15 119.5 0.1 . 1 . . . . . . . . 5102 4 238 . 1 1 67 67 ILE H H 1 8.01 0.02 . 1 . . . . . . . . 5102 4 239 . 1 1 67 67 ILE CA C 13 62.5 0.1 . 1 . . . . . . . . 5102 4 240 . 1 1 67 67 ILE CB C 13 32.8 0.1 . 1 . . . . . . . . 5102 4 241 . 1 1 68 68 HIS N N 15 121.9 0.1 . 1 . . . . . . . . 5102 4 242 . 1 1 68 68 HIS H H 1 8.50 0.02 . 1 . . . . . . . . 5102 4 243 . 1 1 68 68 HIS CA C 13 55.6 0.1 . 1 . . . . . . . . 5102 4 244 . 1 1 68 68 HIS CB C 13 32.8 0.1 . 1 . . . . . . . . 5102 4 245 . 1 1 69 69 GLN N N 15 121.9 0.1 . 1 . . . . . . . . 5102 4 246 . 1 1 69 69 GLN H H 1 8.37 0.02 . 1 . . . . . . . . 5102 4 247 . 1 1 69 69 GLN CA C 13 56.1 0.1 . 1 . . . . . . . . 5102 4 248 . 1 1 69 69 GLN CB C 13 29.6 0.1 . 1 . . . . . . . . 5102 4 249 . 1 1 70 70 LEU N N 15 124.1 0.1 . 1 . . . . . . . . 5102 4 250 . 1 1 70 70 LEU H H 1 8.38 0.02 . 1 . . . . . . . . 5102 4 251 . 1 1 70 70 LEU CA C 13 55.4 0.1 . 1 . . . . . . . . 5102 4 252 . 1 1 70 70 LEU CB C 13 42.3 0.1 . 1 . . . . . . . . 5102 4 253 . 1 1 71 71 ARG N N 15 121.9 0.1 . 1 . . . . . . . . 5102 4 254 . 1 1 71 71 ARG H H 1 8.37 0.02 . 1 . . . . . . . . 5102 4 255 . 1 1 71 71 ARG CA C 13 56.3 0.1 . 1 . . . . . . . . 5102 4 256 . 1 1 71 71 ARG CB C 13 30.8 0.1 . 1 . . . . . . . . 5102 4 257 . 1 1 72 72 SER N N 15 117.1 0.1 . 1 . . . . . . . . 5102 4 258 . 1 1 72 72 SER H H 1 8.29 0.02 . 1 . . . . . . . . 5102 4 259 . 1 1 72 72 SER CA C 13 58.4 0.1 . 1 . . . . . . . . 5102 4 260 . 1 1 72 72 SER CB C 13 63.8 0.1 . 1 . . . . . . . . 5102 4 261 . 1 1 73 73 VAL N N 15 122.2 0.1 . 1 . . . . . . . . 5102 4 262 . 1 1 73 73 VAL H H 1 8.14 0.02 . 1 . . . . . . . . 5102 4 263 . 1 1 73 73 VAL CA C 13 62.8 0.1 . 1 . . . . . . . . 5102 4 264 . 1 1 73 73 VAL CB C 13 32.6 0.1 . 1 . . . . . . . . 5102 4 265 . 1 1 74 74 LYS N N 15 124.2 0.1 . 1 . . . . . . . . 5102 4 266 . 1 1 74 74 LYS H H 1 8.31 0.02 . 1 . . . . . . . . 5102 4 267 . 1 1 74 74 LYS CA C 13 56.9 0.1 . 1 . . . . . . . . 5102 4 268 . 1 1 74 74 LYS CB C 13 32.9 0.1 . 1 . . . . . . . . 5102 4 269 . 1 1 75 75 MET N N 15 121.6 0.1 . 1 . . . . . . . . 5102 4 270 . 1 1 75 75 MET H H 1 8.32 0.02 . 1 . . . . . . . . 5102 4 271 . 1 1 76 76 GLU CA C 13 56.5 0.1 . 1 . . . . . . . . 5102 4 272 . 1 1 76 76 GLU CB C 13 29.4 0.1 . 1 . . . . . . . . 5102 4 273 . 1 1 77 77 GLN N N 15 121.3 0.1 . 1 . . . . . . . . 5102 4 274 . 1 1 77 77 GLN H H 1 8.37 0.02 . 1 . . . . . . . . 5102 4 275 . 1 1 77 77 GLN CA C 13 56.0 0.1 . 1 . . . . . . . . 5102 4 276 . 1 1 77 77 GLN CB C 13 29.7 0.1 . 1 . . . . . . . . 5102 4 277 . 1 1 78 78 ARG N N 15 123.4 0.1 . 1 . . . . . . . . 5102 4 278 . 1 1 78 78 ARG H H 1 8.48 0.02 . 1 . . . . . . . . 5102 4 279 . 1 1 79 79 LYS CA C 13 56.7 0.1 . 1 . . . . . . . . 5102 4 280 . 1 1 79 79 LYS CB C 13 33.1 0.1 . 1 . . . . . . . . 5102 4 281 . 1 1 80 80 LEU N N 15 123.2 0.1 . 1 . . . . . . . . 5102 4 282 . 1 1 80 80 LEU H H 1 8.25 0.02 . 1 . . . . . . . . 5102 4 283 . 1 1 80 80 LEU CA C 13 55.4 0.1 . 1 . . . . . . . . 5102 4 284 . 1 1 80 80 LEU CB C 13 42.3 0.1 . 1 . . . . . . . . 5102 4 285 . 1 1 81 81 ASN N N 15 119.0 0.1 . 1 . . . . . . . . 5102 4 286 . 1 1 81 81 ASN H H 1 8.41 0.02 . 1 . . . . . . . . 5102 4 287 . 1 1 81 81 ASN CA C 13 53.3 0.1 . 1 . . . . . . . . 5102 4 288 . 1 1 81 81 ASN CB C 13 38.7 0.1 . 1 . . . . . . . . 5102 4 289 . 1 1 82 82 ASP N N 15 120.2 0.1 . 1 . . . . . . . . 5102 4 290 . 1 1 82 82 ASP H H 1 8.32 0.02 . 1 . . . . . . . . 5102 4 291 . 1 1 82 82 ASP CA C 13 54.1 0.1 . 1 . . . . . . . . 5102 4 292 . 1 1 82 82 ASP CB C 13 39.8 0.1 . 1 . . . . . . . . 5102 4 293 . 1 1 83 83 GLN N N 15 120.3 0.1 . 1 . . . . . . . . 5102 4 294 . 1 1 83 83 GLN H H 1 8.31 0.02 . 1 . . . . . . . . 5102 4 295 . 1 1 83 83 GLN CA C 13 56.3 0.1 . 1 . . . . . . . . 5102 4 296 . 1 1 83 83 GLN CB C 13 29.2 0.1 . 1 . . . . . . . . 5102 4 297 . 1 1 84 84 ALA N N 15 124.1 0.1 . 1 . . . . . . . . 5102 4 298 . 1 1 84 84 ALA H H 1 8.26 0.02 . 1 . . . . . . . . 5102 4 299 . 1 1 84 84 ALA CA C 13 53.1 0.1 . 1 . . . . . . . . 5102 4 300 . 1 1 84 84 ALA CB C 13 19.1 0.1 . 1 . . . . . . . . 5102 4 301 . 1 1 85 85 ASN N N 15 117.4 0.1 . 1 . . . . . . . . 5102 4 302 . 1 1 85 85 ASN H H 1 8.35 0.02 . 1 . . . . . . . . 5102 4 303 . 1 1 85 85 ASN CA C 13 53.4 0.1 . 1 . . . . . . . . 5102 4 304 . 1 1 85 85 ASN CB C 13 38.5 0.1 . 1 . . . . . . . . 5102 4 305 . 1 1 86 86 THR N N 15 114.7 0.1 . 1 . . . . . . . . 5102 4 306 . 1 1 86 86 THR H H 1 8.08 0.02 . 1 . . . . . . . . 5102 4 307 . 1 1 86 86 THR CA C 13 62.4 0.1 . 1 . . . . . . . . 5102 4 308 . 1 1 86 86 THR CB C 13 69.7 0.1 . 1 . . . . . . . . 5102 4 309 . 1 1 87 87 LEU N N 15 124.0 0.1 . 1 . . . . . . . . 5102 4 310 . 1 1 87 87 LEU H H 1 8.21 0.02 . 1 . . . . . . . . 5102 4 311 . 1 1 87 87 LEU CA C 13 55.8 0.1 . 1 . . . . . . . . 5102 4 312 . 1 1 87 87 LEU CB C 13 42.0 0.1 . 1 . . . . . . . . 5102 4 313 . 1 1 88 88 VAL N N 15 120.5 0.1 . 1 . . . . . . . . 5102 4 314 . 1 1 88 88 VAL H H 1 7.94 0.02 . 1 . . . . . . . . 5102 4 315 . 1 1 88 88 VAL CA C 13 63.1 0.1 . 1 . . . . . . . . 5102 4 316 . 1 1 88 88 VAL CB C 13 32.6 0.1 . 1 . . . . . . . . 5102 4 317 . 1 1 89 89 ASP N N 15 122.8 0.1 . 1 . . . . . . . . 5102 4 318 . 1 1 89 89 ASP H H 1 8.34 0.02 . 1 . . . . . . . . 5102 4 319 . 1 1 89 89 ASP CA C 13 53.9 0.1 . 1 . . . . . . . . 5102 4 320 . 1 1 89 89 ASP CB C 13 39.6 0.1 . 1 . . . . . . . . 5102 4 321 . 1 1 90 90 LEU N N 15 123.8 0.1 . 1 . . . . . . . . 5102 4 322 . 1 1 90 90 LEU H H 1 8.25 0.02 . 1 . . . . . . . . 5102 4 323 . 1 1 90 90 LEU CA C 13 56.3 0.1 . 1 . . . . . . . . 5102 4 324 . 1 1 90 90 LEU CB C 13 42.0 0.1 . 1 . . . . . . . . 5102 4 325 . 1 1 91 91 ALA N N 15 122.9 0.1 . 1 . . . . . . . . 5102 4 326 . 1 1 91 91 ALA H H 1 8.16 0.02 . 1 . . . . . . . . 5102 4 327 . 1 1 91 91 ALA CA C 13 53.4 0.1 . 1 . . . . . . . . 5102 4 328 . 1 1 91 91 ALA CB C 13 18.6 0.1 . 1 . . . . . . . . 5102 4 329 . 1 1 92 92 LYS N N 15 119.0 0.1 . 1 . . . . . . . . 5102 4 330 . 1 1 92 92 LYS H H 1 8.03 0.02 . 1 . . . . . . . . 5102 4 331 . 1 1 92 92 LYS CA C 13 57.4 0.1 . 1 . . . . . . . . 5102 4 332 . 1 1 92 92 LYS CB C 13 32.7 0.1 . 1 . . . . . . . . 5102 4 333 . 1 1 93 93 THR N N 15 113.9 0.1 . 1 . . . . . . . . 5102 4 334 . 1 1 93 93 THR H H 1 7.98 0.02 . 1 . . . . . . . . 5102 4 335 . 1 1 93 93 THR CA C 13 63.0 0.1 . 1 . . . . . . . . 5102 4 336 . 1 1 93 93 THR CB C 13 69.5 0.1 . 1 . . . . . . . . 5102 4 337 . 1 1 94 94 GLN N N 15 121.9 0.1 . 1 . . . . . . . . 5102 4 338 . 1 1 94 94 GLN H H 1 8.26 0.02 . 1 . . . . . . . . 5102 4 339 . 1 1 94 94 GLN CA C 13 56.6 0.1 . 1 . . . . . . . . 5102 4 340 . 1 1 94 94 GLN CB C 13 29.1 0.1 . 1 . . . . . . . . 5102 4 341 . 1 1 95 95 LEU N N 15 122.2 0.1 . 1 . . . . . . . . 5102 4 342 . 1 1 95 95 LEU H H 1 8.04 0.02 . 1 . . . . . . . . 5102 4 343 . 1 1 95 95 LEU CA C 13 55.8 0.1 . 1 . . . . . . . . 5102 4 344 . 1 1 95 95 LEU CB C 13 42.3 0.1 . 1 . . . . . . . . 5102 4 345 . 1 1 96 96 GLU N N 15 119.7 0.1 . 1 . . . . . . . . 5102 4 346 . 1 1 96 96 GLU H H 1 8.10 0.02 . 1 . . . . . . . . 5102 4 347 . 1 1 96 96 GLU CA C 13 56.4 0.1 . 1 . . . . . . . . 5102 4 348 . 1 1 96 96 GLU CB C 13 29.3 0.1 . 1 . . . . . . . . 5102 4 349 . 1 1 97 97 HIS N N 15 118.4 0.1 . 1 . . . . . . . . 5102 4 350 . 1 1 97 97 HIS H H 1 8.36 0.02 . 1 . . . . . . . . 5102 4 stop_ save_ ######################## # Coupling constants # ######################## save_J_values_set_1 _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode J_values_set_1 _Coupling_constant_list.Entry_ID 5102 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $Ex-cond_1 _Coupling_constant_list.Spectrometer_frequency_1H 600 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID . . 1 $sample_1 . 5102 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHNHA . 1 1 3 3 ARG H . . . . 1 1 3 3 ARG HA . . . 6.6 . . 0.1 . . . . . . . . . . . 5102 1 2 3JHNHA . 1 1 4 4 LYS H . . . . 1 1 4 4 LYS HA . . . 7.0 . . 0.1 . . . . . . . . . . . 5102 1 3 3JHNHA . 1 1 9 9 LYS H . . . . 1 1 9 9 LYS HA . . . 6.9 . . 0.1 . . . . . . . . . . . 5102 1 4 3JHNHA . 1 1 11 11 GLU H . . . . 1 1 11 11 GLU HA . . . 7.0 . . 0.1 . . . . . . . . . . . 5102 1 5 3JHNHA . 1 1 13 13 HIS H . . . . 1 1 13 13 HIS HA . . . 7.5 . . 0.1 . . . . . . . . . . . 5102 1 6 3JHNHA . 1 1 15 15 HIS H . . . . 1 1 15 15 HIS HA . . . 7.5 . . 0.1 . . . . . . . . . . . 5102 1 7 3JHNHA . 1 1 25 25 LYS H . . . . 1 1 25 25 LYS HA . . . 6.5 . . 0.1 . . . . . . . . . . . 5102 1 8 3JHNHA . 1 1 27 27 VAL H . . . . 1 1 27 27 VAL HA . . . 7.7 . . 0.1 . . . . . . . . . . . 5102 1 9 3JHNHA . 1 1 29 29 ASN H . . . . 1 1 29 29 ASN HA . . . 7.4 . . 0.1 . . . . . . . . . . . 5102 1 10 3JHNHA . 1 1 30 30 ALA H . . . . 1 1 30 30 ALA HA . . . 5.7 . . 0.1 . . . . . . . . . . . 5102 1 11 3JHNHA . 1 1 31 31 ALA H . . . . 1 1 31 31 ALA HA . . . 6.2 . . 0.1 . . . . . . . . . . . 5102 1 12 3JHNHA . 1 1 33 33 ASN H . . . . 1 1 33 33 ASN HA . . . 7.4 . . 0.1 . . . . . . . . . . . 5102 1 13 3JHNHA . 1 1 35 35 LEU H . . . . 1 1 35 35 LEU HA . . . 6.7 . . 0.1 . . . . . . . . . . . 5102 1 14 3JHNHA . 1 1 37 37 GLU H . . . . 1 1 37 37 GLU HA . . . 6.6 . . 0.1 . . . . . . . . . . . 5102 1 15 3JHNHA . 1 1 39 39 TRP H . . . . 1 1 39 39 TRP HA . . . 6.6 . . 0.1 . . . . . . . . . . . 5102 1 16 3JHNHA . 1 1 40 40 LEU H . . . . 1 1 40 40 LEU HA . . . 6.8 . . 0.1 . . . . . . . . . . . 5102 1 17 3JHNHA . 1 1 41 41 ILE H . . . . 1 1 41 41 ILE HA . . . 7.6 . . 0.1 . . . . . . . . . . . 5102 1 18 3JHNHA . 1 1 44 44 ASN H . . . . 1 1 44 44 ASN HA . . . 7.4 . . 0.1 . . . . . . . . . . . 5102 1 19 3JHNHA . 1 1 49 49 LYS H . . . . 1 1 49 49 LYS HA . . . 7.2 . . 0.1 . . . . . . . . . . . 5102 1 20 3JHNHA . 1 1 52 52 ASP H . . . . 1 1 52 52 ASP HA . . . 7.3 . . 0.1 . . . . . . . . . . . 5102 1 21 3JHNHA . 1 1 60 60 GLN H . . . . 1 1 60 60 GLN HA . . . 6.8 . . 0.1 . . . . . . . . . . . 5102 1 22 3JHNHA . 1 1 66 66 ALA H . . . . 1 1 66 66 ALA HA . . . 6.0 . . 0.1 . . . . . . . . . . . 5102 1 23 3JHNHA . 1 1 67 67 ILE H . . . . 1 1 67 67 ILE HA . . . 7.6 . . 0.1 . . . . . . . . . . . 5102 1 24 3JHNHA . 1 1 68 68 HIS H . . . . 1 1 68 68 HIS HA . . . 7.7 . . 0.1 . . . . . . . . . . . 5102 1 25 3JHNHA . 1 1 70 70 LEU H . . . . 1 1 70 70 LEU HA . . . 6.7 . . 0.1 . . . . . . . . . . . 5102 1 26 3JHNHA . 1 1 72 72 SER H . . . . 1 1 72 72 SER HA . . . 7.0 . . 0.1 . . . . . . . . . . . 5102 1 27 3JHNHA . 1 1 74 74 LYS H . . . . 1 1 74 74 LYS HA . . . 6.6 . . 0.1 . . . . . . . . . . . 5102 1 28 3JHNHA . 1 1 78 78 ARG H . . . . 1 1 78 78 ARG HA . . . 6.5 . . 0.1 . . . . . . . . . . . 5102 1 29 3JHNHA . 1 1 81 81 ASN H . . . . 1 1 81 81 ASN HA . . . 7.4 . . 0.1 . . . . . . . . . . . 5102 1 30 3JHNHA . 1 1 82 82 ASP H . . . . 1 1 82 82 ASP HA . . . 7.4 . . 0.1 . . . . . . . . . . . 5102 1 31 3JHNHA . 1 1 83 83 GLN H . . . . 1 1 83 83 GLN HA . . . 7.3 . . 0.1 . . . . . . . . . . . 5102 1 32 3JHNHA . 1 1 85 85 ASN H . . . . 1 1 85 85 ASN HA . . . 7.3 . . 0.1 . . . . . . . . . . . 5102 1 33 3JHNHA . 1 1 90 90 LEU H . . . . 1 1 90 90 LEU HA . . . 6.4 . . 0.1 . . . . . . . . . . . 5102 1 34 3JHNHA . 1 1 91 91 ALA H . . . . 1 1 91 91 ALA HA . . . 5.2 . . 0.1 . . . . . . . . . . . 5102 1 35 3JHNHA . 1 1 92 92 LYS H . . . . 1 1 92 92 LYS HA . . . 6.6 . . 0.1 . . . . . . . . . . . 5102 1 36 3JHNHA . 1 1 96 96 GLU H . . . . 1 1 96 96 GLU HA . . . 6.8 . . 0.1 . . . . . . . . . . . 5102 1 37 3JHNHA . 1 1 97 97 HIS H . . . . 1 1 97 97 HIS HA . . . 8.0 . . 0.1 . . . . . . . . . . . 5102 1 stop_ save_