data_16047 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16047 _Entry.Title ; human brain-type fatty acid binding protein (hb-FABP bound to elaidic acid ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-12-01 _Entry.Accession_date 2008-12-01 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.125 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details '1H, 15N and 13C assignments' _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 Jesper Oeemig . S. . 16047 2 Mathilde Jorgensen . L. . 16047 3 Mikka Hansen . S. . 16047 4 Evamaria Petersen . I. . 16047 5 Laurent Duroux . P. . 16047 6 Reinhard Wimmer . . . 16047 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16047 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 394 16047 '15N chemical shifts' 140 16047 '1H chemical shifts' 862 16047 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 3 . . 2009-08-20 2008-12-01 update BMRB 'added PubMed ID' 16047 2 . . 2009-06-05 2008-12-01 update BMRB 'completed entry citation' 16047 1 . . 2009-03-11 2008-12-01 original author 'original release' 16047 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 16042 'human brain-type fatty acid binding protein (hb-FABP)' 16047 BMRB 16046 'human brain-type fatty acid binding protein (hb-FABP bound to docosahexaenoic acid (DHA))' 16047 BMRB 16048 'human brain-type fatty acid binding protein (hb-FABP bound to oleic acid (OLA))' 16047 BMRB 16049 'human brain-type fatty acid binding protein (hb-FABP bound to linoleic acid (LNA))' 16047 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16047 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19636954 _Citation.Full_citation . _Citation.Title 'Backbone and sidechain 1H, 13C and 15N resonance assignments of the human brain-type fatty acid binding protein (FABP7) in its apo form and the holo forms binding to DHA, oleic acid, linoleic acid and elaidic acid' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR Assignments' _Citation.Journal_volume 3 _Citation.Journal_issue 1 _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 89 _Citation.Page_last 93 _Citation.Year 2009 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Jesper Oeemig . S. . 16047 1 2 Mathilde Jorgensen . L. . 16047 1 3 Mikka Hansen . S. . 16047 1 4 Evamaria Petersen . I. . 16047 1 5 Laurent Duroux . . . 16047 1 6 Reinhard Wimmer . . . 16047 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16047 _Assembly.ID 1 _Assembly.Name ELA-hb-FABP _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 hb-FABP 1 $hb-FABP A . yes native no no . . . 16047 1 2 'Elaidic acid' 2 $ELA A . no native no no . . . 16047 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_hb-FABP _Entity.Sf_category entity _Entity.Sf_framecode hb-FABP _Entity.Entry_ID 16047 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name hb-FABP _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 ; VEAFCATWKLTNSQNFDEYM KALGVGFATRQVGNVTKPTV IISQEGDKVVIRTLSTFKNT EISFQLGEEFDETTADDRNC KSVVSLDGDKLVHIQKWDGK ETNFVREIKDGKMVMTLTFG DVVAVRHYEKA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites yes _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 131 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16042 . hb-FABP . . . . . 100.00 131 100.00 100.00 5.45e-90 . . . . 16047 1 2 no BMRB 16046 . hb-FABP . . . . . 100.00 131 100.00 100.00 5.45e-90 . . . . 16047 1 3 no BMRB 16048 . hb-FABP . . . . . 100.00 131 100.00 100.00 5.45e-90 . . . . 16047 1 4 no BMRB 16049 . hb-FABP . . . . . 100.00 131 100.00 100.00 5.45e-90 . . . . 16047 1 5 no PDB 1FDQ . "Crystal Structure Of Human Brain Fatty Acid Binding Protein" . . . . . 100.00 131 100.00 100.00 5.45e-90 . . . . 16047 1 6 no PDB 1FE3 . "Crystal Structure Of Human Brain Fatty Acid Binding Protein Oleic Acid" . . . . . 100.00 131 100.00 100.00 5.45e-90 . . . . 16047 1 7 no PDB 1JJX . "Solution Structure Of Recombinant Human Brain-Type Fatty Acid Binding Protein" . . . . . 100.00 131 100.00 100.00 5.45e-90 . . . . 16047 1 8 no DBJ BAA23324 . "fatty acid binding protein [Homo sapiens]" . . . . . 100.00 132 99.24 100.00 3.06e-89 . . . . 16047 1 9 no DBJ BAA23645 . "B-FABP [Homo sapiens]" . . . . . 100.00 132 100.00 100.00 5.10e-90 . . . . 16047 1 10 no DBJ BAD92052 . "Hypothetical protein DKFZp547J2313 variant [Homo sapiens]" . . . . . 61.83 103 100.00 100.00 2.84e-50 . . . . 16047 1 11 no DBJ BAE90445 . "unnamed protein product [Macaca fascicularis]" . . . . . 100.00 132 97.71 99.24 3.57e-88 . . . . 16047 1 12 no DBJ BAF82525 . "unnamed protein product [Homo sapiens]" . . . . . 87.79 166 100.00 100.00 9.83e-78 . . . . 16047 1 13 no EMBL CAA05773 . "hB-FABP [Homo sapiens]" . . . . . 100.00 132 100.00 100.00 5.10e-90 . . . . 16047 1 14 no EMBL CAC21646 . "hypothetical protein [Homo sapiens]" . . . . . 87.79 166 100.00 100.00 9.83e-78 . . . . 16047 1 15 no EMBL CAG33338 . "FABP7 [Homo sapiens]" . . . . . 100.00 132 99.24 100.00 1.15e-89 . . . . 16047 1 16 no GB AAB87141 . "fatty acid binding protein [Homo sapiens]" . . . . . 100.00 132 100.00 100.00 5.10e-90 . . . . 16047 1 17 no GB AAD00507 . "mammary derived growth inhibitor related [Homo sapiens]" . . . . . 100.00 132 100.00 100.00 5.10e-90 . . . . 16047 1 18 no GB AAH12299 . "Fatty acid binding protein 7, brain [Homo sapiens]" . . . . . 100.00 132 100.00 100.00 5.10e-90 . . . . 16047 1 19 no GB AAY17257 . "brain-type fatty acid-binding protein [Sus scrofa]" . . . . . 100.00 132 96.95 98.47 3.90e-87 . . . . 16047 1 20 no GB ABM82363 . "fatty acid binding protein 7, brain [synthetic construct]" . . . . . 100.00 132 100.00 100.00 5.10e-90 . . . . 16047 1 21 no REF NP_001020400 . "fatty acid-binding protein, brain [Sus scrofa]" . . . . . 100.00 132 96.95 98.47 3.90e-87 . . . . 16047 1 22 no REF NP_001244643 . "fatty acid-binding protein, brain [Macaca mulatta]" . . . . . 100.00 132 97.71 99.24 3.57e-88 . . . . 16047 1 23 no REF NP_001270567 . "uncharacterized protein LOC101865805 [Macaca fascicularis]" . . . . . 100.00 132 97.71 99.24 3.57e-88 . . . . 16047 1 24 no REF NP_001437 . "fatty acid-binding protein, brain [Homo sapiens]" . . . . . 100.00 132 100.00 100.00 5.10e-90 . . . . 16047 1 25 no REF XP_002746967 . "PREDICTED: fatty acid-binding protein, brain [Callithrix jacchus]" . . . . . 100.00 132 97.71 99.24 3.57e-88 . . . . 16047 1 26 no SP O15540 . "RecName: Full=Fatty acid-binding protein, brain; AltName: Full=Brain lipid-binding protein; Short=BLBP; AltName: Full=Brain-typ" . . . . . 100.00 132 100.00 100.00 5.10e-90 . . . . 16047 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 . VAL . 16047 1 2 . GLU . 16047 1 3 . ALA . 16047 1 4 . PHE . 16047 1 5 . CYS . 16047 1 6 . ALA . 16047 1 7 . THR . 16047 1 8 . TRP . 16047 1 9 . LYS . 16047 1 10 . LEU . 16047 1 11 . THR . 16047 1 12 . ASN . 16047 1 13 . SER . 16047 1 14 . GLN . 16047 1 15 . ASN . 16047 1 16 . PHE . 16047 1 17 . ASP . 16047 1 18 . GLU . 16047 1 19 . TYR . 16047 1 20 . MET . 16047 1 21 . LYS . 16047 1 22 . ALA . 16047 1 23 . LEU . 16047 1 24 . GLY . 16047 1 25 . VAL . 16047 1 26 . GLY . 16047 1 27 . PHE . 16047 1 28 . ALA . 16047 1 29 . THR . 16047 1 30 . ARG . 16047 1 31 . GLN . 16047 1 32 . VAL . 16047 1 33 . GLY . 16047 1 34 . ASN . 16047 1 35 . VAL . 16047 1 36 . THR . 16047 1 37 . LYS . 16047 1 38 . PRO . 16047 1 39 . THR . 16047 1 40 . VAL . 16047 1 41 . ILE . 16047 1 42 . ILE . 16047 1 43 . SER . 16047 1 44 . GLN . 16047 1 45 . GLU . 16047 1 46 . GLY . 16047 1 47 . ASP . 16047 1 48 . LYS . 16047 1 49 . VAL . 16047 1 50 . VAL . 16047 1 51 . ILE . 16047 1 52 . ARG . 16047 1 53 . THR . 16047 1 54 . LEU . 16047 1 55 . SER . 16047 1 56 . THR . 16047 1 57 . PHE . 16047 1 58 . LYS . 16047 1 59 . ASN . 16047 1 60 . THR . 16047 1 61 . GLU . 16047 1 62 . ILE . 16047 1 63 . SER . 16047 1 64 . PHE . 16047 1 65 . GLN . 16047 1 66 . LEU . 16047 1 67 . GLY . 16047 1 68 . GLU . 16047 1 69 . GLU . 16047 1 70 . PHE . 16047 1 71 . ASP . 16047 1 72 . GLU . 16047 1 73 . THR . 16047 1 74 . THR . 16047 1 75 . ALA . 16047 1 76 . ASP . 16047 1 77 . ASP . 16047 1 78 . ARG . 16047 1 79 . ASN . 16047 1 80 . CYS . 16047 1 81 . LYS . 16047 1 82 . SER . 16047 1 83 . VAL . 16047 1 84 . VAL . 16047 1 85 . SER . 16047 1 86 . LEU . 16047 1 87 . ASP . 16047 1 88 . GLY . 16047 1 89 . ASP . 16047 1 90 . LYS . 16047 1 91 . LEU . 16047 1 92 . VAL . 16047 1 93 . HIS . 16047 1 94 . ILE . 16047 1 95 . GLN . 16047 1 96 . LYS . 16047 1 97 . TRP . 16047 1 98 . ASP . 16047 1 99 . GLY . 16047 1 100 . LYS . 16047 1 101 . GLU . 16047 1 102 . THR . 16047 1 103 . ASN . 16047 1 104 . PHE . 16047 1 105 . VAL . 16047 1 106 . ARG . 16047 1 107 . GLU . 16047 1 108 . ILE . 16047 1 109 . LYS . 16047 1 110 . ASP . 16047 1 111 . GLY . 16047 1 112 . LYS . 16047 1 113 . MET . 16047 1 114 . VAL . 16047 1 115 . MET . 16047 1 116 . THR . 16047 1 117 . LEU . 16047 1 118 . THR . 16047 1 119 . PHE . 16047 1 120 . GLY . 16047 1 121 . ASP . 16047 1 122 . VAL . 16047 1 123 . VAL . 16047 1 124 . ALA . 16047 1 125 . VAL . 16047 1 126 . ARG . 16047 1 127 . HIS . 16047 1 128 . TYR . 16047 1 129 . GLU . 16047 1 130 . LYS . 16047 1 131 . ALA . 16047 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 . VAL 1 1 16047 1 . GLU 2 2 16047 1 . ALA 3 3 16047 1 . PHE 4 4 16047 1 . CYS 5 5 16047 1 . ALA 6 6 16047 1 . THR 7 7 16047 1 . TRP 8 8 16047 1 . LYS 9 9 16047 1 . LEU 10 10 16047 1 . THR 11 11 16047 1 . ASN 12 12 16047 1 . SER 13 13 16047 1 . GLN 14 14 16047 1 . ASN 15 15 16047 1 . PHE 16 16 16047 1 . ASP 17 17 16047 1 . GLU 18 18 16047 1 . TYR 19 19 16047 1 . MET 20 20 16047 1 . LYS 21 21 16047 1 . ALA 22 22 16047 1 . LEU 23 23 16047 1 . GLY 24 24 16047 1 . VAL 25 25 16047 1 . GLY 26 26 16047 1 . PHE 27 27 16047 1 . ALA 28 28 16047 1 . THR 29 29 16047 1 . ARG 30 30 16047 1 . GLN 31 31 16047 1 . VAL 32 32 16047 1 . GLY 33 33 16047 1 . ASN 34 34 16047 1 . VAL 35 35 16047 1 . THR 36 36 16047 1 . LYS 37 37 16047 1 . PRO 38 38 16047 1 . THR 39 39 16047 1 . VAL 40 40 16047 1 . ILE 41 41 16047 1 . ILE 42 42 16047 1 . SER 43 43 16047 1 . GLN 44 44 16047 1 . GLU 45 45 16047 1 . GLY 46 46 16047 1 . ASP 47 47 16047 1 . LYS 48 48 16047 1 . VAL 49 49 16047 1 . VAL 50 50 16047 1 . ILE 51 51 16047 1 . ARG 52 52 16047 1 . THR 53 53 16047 1 . LEU 54 54 16047 1 . SER 55 55 16047 1 . THR 56 56 16047 1 . PHE 57 57 16047 1 . LYS 58 58 16047 1 . ASN 59 59 16047 1 . THR 60 60 16047 1 . GLU 61 61 16047 1 . ILE 62 62 16047 1 . SER 63 63 16047 1 . PHE 64 64 16047 1 . GLN 65 65 16047 1 . LEU 66 66 16047 1 . GLY 67 67 16047 1 . GLU 68 68 16047 1 . GLU 69 69 16047 1 . PHE 70 70 16047 1 . ASP 71 71 16047 1 . GLU 72 72 16047 1 . THR 73 73 16047 1 . THR 74 74 16047 1 . ALA 75 75 16047 1 . ASP 76 76 16047 1 . ASP 77 77 16047 1 . ARG 78 78 16047 1 . ASN 79 79 16047 1 . CYS 80 80 16047 1 . LYS 81 81 16047 1 . SER 82 82 16047 1 . VAL 83 83 16047 1 . VAL 84 84 16047 1 . SER 85 85 16047 1 . LEU 86 86 16047 1 . ASP 87 87 16047 1 . GLY 88 88 16047 1 . ASP 89 89 16047 1 . LYS 90 90 16047 1 . LEU 91 91 16047 1 . VAL 92 92 16047 1 . HIS 93 93 16047 1 . ILE 94 94 16047 1 . GLN 95 95 16047 1 . LYS 96 96 16047 1 . TRP 97 97 16047 1 . ASP 98 98 16047 1 . GLY 99 99 16047 1 . LYS 100 100 16047 1 . GLU 101 101 16047 1 . THR 102 102 16047 1 . ASN 103 103 16047 1 . PHE 104 104 16047 1 . VAL 105 105 16047 1 . ARG 106 106 16047 1 . GLU 107 107 16047 1 . ILE 108 108 16047 1 . LYS 109 109 16047 1 . ASP 110 110 16047 1 . GLY 111 111 16047 1 . LYS 112 112 16047 1 . MET 113 113 16047 1 . VAL 114 114 16047 1 . MET 115 115 16047 1 . THR 116 116 16047 1 . LEU 117 117 16047 1 . THR 118 118 16047 1 . PHE 119 119 16047 1 . GLY 120 120 16047 1 . ASP 121 121 16047 1 . VAL 122 122 16047 1 . VAL 123 123 16047 1 . ALA 124 124 16047 1 . VAL 125 125 16047 1 . ARG 126 126 16047 1 . HIS 127 127 16047 1 . TYR 128 128 16047 1 . GLU 129 129 16047 1 . LYS 130 130 16047 1 . ALA 131 131 16047 1 stop_ save_ save_ELA _Entity.Sf_category entity _Entity.Sf_framecode ELA _Entity.Entry_ID 16047 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ELA _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ELA _Entity.Nonpolymer_comp_label $chem_comp_ELA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ELA . 16047 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 16047 _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 $hb-FABP . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 16047 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 16047 _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 $hb-FABP . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . . . . . . . . . . . pET11a . . . . . . 16047 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ELA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ELA _Chem_comp.Entry_ID 16047 _Chem_comp.ID ELA _Chem_comp.Provenance . _Chem_comp.Name '9-OCTADECENOIC ACID' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ELA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ELA _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C18 H34 O2' _Chem_comp.Formula_weight 282.461 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1HMR _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Oct 24 11:35:15 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CCCCCCCC/C=C/CCCCCCCC(O)=O SMILES_CANONICAL CACTVS 3.341 16047 ELA CCCCCCCC\C=C\CCCCCCCC(=O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 16047 ELA CCCCCCCCC=CCCCCCCCC(=O)O SMILES 'OpenEye OEToolkits' 1.5.0 16047 ELA CCCCCCCCC=CCCCCCCCC(O)=O SMILES CACTVS 3.341 16047 ELA InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9+ InChI InChI 1.03 16047 ELA O=C(O)CCCCCCC/C=C/CCCCCCCC SMILES ACDLabs 10.04 16047 ELA ZQPPMHVWECSIRJ-MDZDMXLPSA-N InChIKey InChI 1.03 16047 ELA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '(9E)-octadec-9-enoic acid' 'SYSTEMATIC NAME' ACDLabs 10.04 16047 ELA '(E)-octadec-9-enoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 16047 ELA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CA . CA . . C . . N 0 . . . . no no . . . . 19.652 . 33.303 . 53.645 . 0.514 0.429 -7.457 1 . 16047 ELA C . C . . C . . N 0 . . . . no no . . . . 18.922 . 33.306 . 52.373 . 1.695 -0.009 -8.284 2 . 16047 ELA O . O . . O . . N 0 . . . . no no . . . . 19.011 . 34.339 . 51.731 . 2.557 -0.697 -7.791 3 . 16047 ELA C3 . C3 . . C . . N 0 . . . . no no . . . . 20.814 . 34.257 . 53.801 . 0.650 -0.129 -6.039 4 . 16047 ELA C4 . C4 . . C . . N 0 . . . . no no . . . . 21.648 . 34.175 . 54.991 . -0.548 0.315 -5.199 5 . 16047 ELA C5 . C5 . . C . . N 0 . . . . no no . . . . 22.752 . 35.168 . 55.102 . -0.413 -0.243 -3.781 6 . 16047 ELA C6 . C6 . . C . . N 0 . . . . no no . . . . 23.158 . 35.522 . 56.527 . -1.612 0.201 -2.941 7 . 16047 ELA C7 . C7 . . C . . N 0 . . . . no no . . . . 23.706 . 34.429 . 57.355 . -1.476 -0.356 -1.523 8 . 16047 ELA C8 . C8 . . C . . N 0 . . . . no no . . . . 23.362 . 34.637 . 58.859 . -2.675 0.088 -0.683 9 . 16047 ELA C9 . C9 . . C . . N 0 . . . . no no . . . . 21.969 . 34.374 . 59.172 . -2.542 -0.461 0.713 10 . 16047 ELA C10 . C10 . . C . . N 0 . . . . no no . . . . 21.512 . 34.691 . 60.494 . -2.483 0.354 1.736 11 . 16047 ELA C11 . C11 . . C . . N 0 . . . . no no . . . . 20.035 . 34.538 . 60.650 . -2.350 -0.195 3.132 12 . 16047 ELA C12 . C12 . . C . . N 0 . . . . no no . . . . 19.244 . 34.874 . 59.423 . -1.060 0.329 3.766 13 . 16047 ELA C13 . C13 . . C . . N 0 . . . . no no . . . . 17.914 . 34.215 . 59.361 . -0.924 -0.228 5.184 14 . 16047 ELA C14 . C14 . . C . . N 0 . . . . no no . . . . 17.185 . 34.375 . 58.075 . 0.365 0.296 5.818 15 . 16047 ELA C15 . C15 . . C . . N 0 . . . . no no . . . . 17.093 . 35.770 . 57.595 . 0.500 -0.262 7.236 16 . 16047 ELA C16 . C16 . . C . . N 0 . . . . no no . . . . 16.222 . 35.909 . 56.353 . 1.790 0.262 7.870 17 . 16047 ELA C17 . C17 . . C . . N 0 . . . . no no . . . . 15.969 . 37.387 . 56.092 . 1.925 -0.295 9.288 18 . 16047 ELA C18 . C18 . . C . . N 0 . . . . no no . . . . 17.145 . 38.191 . 56.544 . 3.215 0.229 9.922 19 . 16047 ELA OXT . OXT . . O . . N 0 . . . . no no . . . . 18.247 . 32.316 . 52.183 . 1.790 0.365 -9.570 20 . 16047 ELA HA1 . HA1 . . H . . N 0 . . . . no no . . . . 18.931 . 33.466 . 54.479 . -0.404 0.055 -7.908 21 . 16047 ELA HA2 . HA2 . . H . . N 0 . . . . no no . . . . 19.999 . 32.266 . 53.864 . 0.482 1.517 -7.417 22 . 16047 ELA H31 . H31 . . H . . N 0 . . . . no no . . . . 21.467 . 34.174 . 52.900 . 1.569 0.244 -5.587 23 . 16047 ELA H32 . H32 . . H . . N 0 . . . . no no . . . . 20.434 . 35.300 . 53.701 . 0.681 -1.218 -6.079 24 . 16047 ELA H41 . H41 . . H . . N 0 . . . . no no . . . . 21.006 . 34.225 . 55.901 . -1.467 -0.058 -5.650 25 . 16047 ELA H42 . H42 . . H . . N 0 . . . . no no . . . . 22.060 . 33.143 . 55.088 . -0.580 1.404 -5.159 26 . 16047 ELA H51 . H51 . . H . . N 0 . . . . no no . . . . 23.640 . 34.822 . 54.523 . 0.505 0.131 -3.329 27 . 16047 ELA H52 . H52 . . H . . N 0 . . . . no no . . . . 22.496 . 36.092 . 54.533 . -0.381 -1.331 -3.821 28 . 16047 ELA H61 . H61 . . H . . N 0 . . . . no no . . . . 23.877 . 36.373 . 56.509 . -2.531 -0.172 -3.392 29 . 16047 ELA H62 . H62 . . H . . N 0 . . . . no no . . . . 22.295 . 35.993 . 57.054 . -1.643 1.290 -2.901 30 . 16047 ELA H71 . H71 . . H . . N 0 . . . . no no . . . . 23.368 . 33.430 . 56.991 . -0.557 0.017 -1.071 31 . 16047 ELA H72 . H72 . . H . . N 0 . . . . no no . . . . 24.803 . 34.306 . 57.198 . -1.444 -1.445 -1.563 32 . 16047 ELA H81 . H81 . . H . . N 0 . . . . no no . . . . 24.035 . 34.028 . 59.506 . -3.594 -0.285 -1.134 33 . 16047 ELA H82 . H82 . . H . . N 0 . . . . no no . . . . 23.657 . 35.658 . 59.195 . -2.707 1.177 -0.643 34 . 16047 ELA H9 . H9 . . H . . N 0 . . . . no no . . . . 21.277 . 33.945 . 58.426 . -2.494 -1.529 0.871 35 . 16047 ELA H10 . H10 . . H . . N 0 . . . . no no . . . . 22.206 . 35.011 . 61.288 . -2.530 1.422 1.578 36 . 16047 ELA H111 . H111 . . H . . N 0 . . . . no no . . . . 19.786 . 33.510 . 61.003 . -2.318 -1.284 3.093 37 . 16047 ELA H112 . H112 . . H . . N 0 . . . . no no . . . . 19.672 . 35.132 . 61.520 . -3.204 0.121 3.731 38 . 16047 ELA H121 . H121 . . H . . N 0 . . . . no no . . . . 19.138 . 35.978 . 59.316 . -1.092 1.418 3.806 39 . 16047 ELA H122 . H122 . . H . . N 0 . . . . no no . . . . 19.834 . 34.650 . 58.503 . -0.206 0.012 3.168 40 . 16047 ELA H131 . H131 . . H . . N 0 . . . . no no . . . . 18.010 . 33.133 . 59.614 . -0.893 -1.317 5.144 41 . 16047 ELA H132 . H132 . . H . . N 0 . . . . no no . . . . 17.276 . 34.559 . 60.208 . -1.778 0.088 5.783 42 . 16047 ELA H141 . H141 . . H . . N 0 . . . . no no . . . . 17.633 . 33.722 . 57.290 . 0.333 1.385 5.858 43 . 16047 ELA H142 . H142 . . H . . N 0 . . . . no no . . . . 16.169 . 33.919 . 58.144 . 1.219 -0.020 5.220 44 . 16047 ELA H151 . H151 . . H . . N 0 . . . . no no . . . . 16.743 . 36.449 . 58.406 . 0.532 -1.351 7.196 45 . 16047 ELA H152 . H152 . . H . . N 0 . . . . no no . . . . 18.106 . 36.201 . 57.422 . -0.353 0.054 7.834 46 . 16047 ELA H161 . H161 . . H . . N 0 . . . . no no . . . . 16.657 . 35.389 . 55.467 . 1.758 1.351 7.910 47 . 16047 ELA H162 . H162 . . H . . N 0 . . . . no no . . . . 15.276 . 35.322 . 56.428 . 2.644 -0.054 7.271 48 . 16047 ELA H171 . H171 . . H . . N 0 . . . . no no . . . . 15.710 . 37.585 . 55.025 . 1.957 -1.384 9.248 49 . 16047 ELA H172 . H172 . . H . . N 0 . . . . no no . . . . 15.018 . 37.737 . 56.557 . 1.071 0.021 9.886 50 . 16047 ELA H181 . H181 . . H . . N 0 . . . . no no . . . . 16.959 . 39.273 . 56.352 . 3.312 -0.168 10.932 51 . 16047 ELA H182 . H182 . . H . . N 0 . . . . no no . . . . 17.403 . 37.992 . 57.610 . 4.069 -0.087 9.323 52 . 16047 ELA H183 . H183 . . H . . N 0 . . . . no no . . . . 18.095 . 37.840 . 56.078 . 3.183 1.317 9.961 53 . 16047 ELA HXT . HXT . . H . . N 0 . . . . no no . . . . 17.774 . 32.317 . 51.359 . 2.547 0.083 -10.101 54 . 16047 ELA stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING CA C no N 1 . 16047 ELA 2 . SING CA C3 no N 2 . 16047 ELA 3 . SING CA HA1 no N 3 . 16047 ELA 4 . SING CA HA2 no N 4 . 16047 ELA 5 . DOUB C O no N 5 . 16047 ELA 6 . SING C OXT no N 6 . 16047 ELA 7 . SING C3 C4 no N 7 . 16047 ELA 8 . SING C3 H31 no N 8 . 16047 ELA 9 . SING C3 H32 no N 9 . 16047 ELA 10 . SING C4 C5 no N 10 . 16047 ELA 11 . SING C4 H41 no N 11 . 16047 ELA 12 . SING C4 H42 no N 12 . 16047 ELA 13 . SING C5 C6 no N 13 . 16047 ELA 14 . SING C5 H51 no N 14 . 16047 ELA 15 . SING C5 H52 no N 15 . 16047 ELA 16 . SING C6 C7 no N 16 . 16047 ELA 17 . SING C6 H61 no N 17 . 16047 ELA 18 . SING C6 H62 no N 18 . 16047 ELA 19 . SING C7 C8 no N 19 . 16047 ELA 20 . SING C7 H71 no N 20 . 16047 ELA 21 . SING C7 H72 no N 21 . 16047 ELA 22 . SING C8 C9 no N 22 . 16047 ELA 23 . SING C8 H81 no N 23 . 16047 ELA 24 . SING C8 H82 no N 24 . 16047 ELA 25 . DOUB C9 C10 no E 25 . 16047 ELA 26 . SING C9 H9 no N 26 . 16047 ELA 27 . SING C10 C11 no N 27 . 16047 ELA 28 . SING C10 H10 no N 28 . 16047 ELA 29 . SING C11 C12 no N 29 . 16047 ELA 30 . SING C11 H111 no N 30 . 16047 ELA 31 . SING C11 H112 no N 31 . 16047 ELA 32 . SING C12 C13 no N 32 . 16047 ELA 33 . SING C12 H121 no N 33 . 16047 ELA 34 . SING C12 H122 no N 34 . 16047 ELA 35 . SING C13 C14 no N 35 . 16047 ELA 36 . SING C13 H131 no N 36 . 16047 ELA 37 . SING C13 H132 no N 37 . 16047 ELA 38 . SING C14 C15 no N 38 . 16047 ELA 39 . SING C14 H141 no N 39 . 16047 ELA 40 . SING C14 H142 no N 40 . 16047 ELA 41 . SING C15 C16 no N 41 . 16047 ELA 42 . SING C15 H151 no N 42 . 16047 ELA 43 . SING C15 H152 no N 43 . 16047 ELA 44 . SING C16 C17 no N 44 . 16047 ELA 45 . SING C16 H161 no N 45 . 16047 ELA 46 . SING C16 H162 no N 46 . 16047 ELA 47 . SING C17 C18 no N 47 . 16047 ELA 48 . SING C17 H171 no N 48 . 16047 ELA 49 . SING C17 H172 no N 49 . 16047 ELA 50 . SING C18 H181 no N 50 . 16047 ELA 51 . SING C18 H182 no N 51 . 16047 ELA 52 . SING C18 H183 no N 52 . 16047 ELA 53 . SING OXT HXT no N 53 . 16047 ELA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16047 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 hb-FABP 'natural abundance' . . 1 $hb-FABP . . 0.85 . . mM . . . . 16047 1 2 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16047 1 3 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16047 1 4 DSS 'natural abundance' . . . . . . 1 . . mM . . . . 16047 1 5 TRIS 'natural abundance' . . . . . . 10 . . mM . . . . 16047 1 6 'Elaidic acid' 'natural abundance' . . 2 $ELA . . 22 . . mM . . . . 16047 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16047 _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' 0.01 . M 16047 1 pH 7.4 0.05 pH 16047 1 pressure 1 . atm 16047 1 temperature 298.1 0.1 K 16047 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 16047 _Software.ID 1 _Software.Name CARA _Software.Version 1.5.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CARA . . 16047 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16047 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16047 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16047 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 600 . . . 16047 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 16047 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16047 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16047 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16047 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16047 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16047 1 6 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16047 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16047 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 16047 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 16047 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 16047 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16047 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16047 1 2 '2D 1H-13C HSQC' . . . 16047 1 3 '3D CBCA(CO)NH' . . . 16047 1 4 '3D HNCA' . . . 16047 1 5 '3D HBHA(CO)NH' . . . 16047 1 6 '3D HCCH-COSY' . . . 16047 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 VAL HA H 1 4.117 0.01 . 1 . . . . 1 VAL HA . 16047 1 2 . 1 1 1 1 VAL HB H 1 2.177 0.01 . 1 . . . . 1 VAL HB . 16047 1 3 . 1 1 1 1 VAL HG11 H 1 0.777 0.01 . 2 . . . . 1 VAL HG1 . 16047 1 4 . 1 1 1 1 VAL HG12 H 1 0.777 0.01 . 2 . . . . 1 VAL HG1 . 16047 1 5 . 1 1 1 1 VAL HG13 H 1 0.777 0.01 . 2 . . . . 1 VAL HG1 . 16047 1 6 . 1 1 1 1 VAL HG21 H 1 0.867 0.01 . 2 . . . . 1 VAL HG2 . 16047 1 7 . 1 1 1 1 VAL HG22 H 1 0.867 0.01 . 2 . . . . 1 VAL HG2 . 16047 1 8 . 1 1 1 1 VAL HG23 H 1 0.867 0.01 . 2 . . . . 1 VAL HG2 . 16047 1 9 . 1 1 1 1 VAL CA C 13 63.711 0.1 . 1 . . . . 1 VAL CA . 16047 1 10 . 1 1 1 1 VAL CB C 13 32.014 0.1 . 1 . . . . 1 VAL CB . 16047 1 11 . 1 1 1 1 VAL CG1 C 13 21.650 0.1 . 2 . . . . 1 VAL CG1 . 16047 1 12 . 1 1 1 1 VAL CG2 C 13 22.248 0.1 . 2 . . . . 1 VAL CG2 . 16047 1 13 . 1 1 2 2 GLU H H 1 9.379 0.01 . 1 . . . . 2 GLU H . 16047 1 14 . 1 1 2 2 GLU HA H 1 4.076 0.01 . 1 . . . . 2 GLU HA . 16047 1 15 . 1 1 2 2 GLU HB2 H 1 1.990 0.01 . 2 . . . . 2 GLU HB2 . 16047 1 16 . 1 1 2 2 GLU HB3 H 1 1.990 0.01 . 2 . . . . 2 GLU HB3 . 16047 1 17 . 1 1 2 2 GLU HG2 H 1 2.350 0.01 . 2 . . . . 2 GLU HG2 . 16047 1 18 . 1 1 2 2 GLU HG3 H 1 2.350 0.01 . 2 . . . . 2 GLU HG3 . 16047 1 19 . 1 1 2 2 GLU CA C 13 61.087 0.1 . 1 . . . . 2 GLU CA . 16047 1 20 . 1 1 2 2 GLU CB C 13 28.865 0.1 . 1 . . . . 2 GLU CB . 16047 1 21 . 1 1 2 2 GLU CG C 13 36.784 0.1 . 1 . . . . 2 GLU CG . 16047 1 22 . 1 1 2 2 GLU N N 15 122.578 0.1 . 1 . . . . 2 GLU N . 16047 1 23 . 1 1 3 3 ALA H H 1 7.937 0.01 . 1 . . . . 3 ALA H . 16047 1 24 . 1 1 3 3 ALA HA H 1 3.965 0.01 . 1 . . . . 3 ALA HA . 16047 1 25 . 1 1 3 3 ALA HB1 H 1 1.132 0.01 . 1 . . . . 3 ALA HB . 16047 1 26 . 1 1 3 3 ALA HB2 H 1 1.132 0.01 . 1 . . . . 3 ALA HB . 16047 1 27 . 1 1 3 3 ALA HB3 H 1 1.132 0.01 . 1 . . . . 3 ALA HB . 16047 1 28 . 1 1 3 3 ALA CA C 13 54.535 0.1 . 1 . . . . 3 ALA CA . 16047 1 29 . 1 1 3 3 ALA CB C 13 18.679 0.1 . 1 . . . . 3 ALA CB . 16047 1 30 . 1 1 3 3 ALA N N 15 121.651 0.1 . 1 . . . . 3 ALA N . 16047 1 31 . 1 1 4 4 PHE H H 1 7.914 0.01 . 1 . . . . 4 PHE H . 16047 1 32 . 1 1 4 4 PHE HA H 1 4.304 0.01 . 1 . . . . 4 PHE HA . 16047 1 33 . 1 1 4 4 PHE HB2 H 1 2.949 0.01 . 2 . . . . 4 PHE HB2 . 16047 1 34 . 1 1 4 4 PHE HB3 H 1 3.191 0.01 . 2 . . . . 4 PHE HB3 . 16047 1 35 . 1 1 4 4 PHE CA C 13 59.592 0.1 . 1 . . . . 4 PHE CA . 16047 1 36 . 1 1 4 4 PHE CB C 13 40.122 0.1 . 1 . . . . 4 PHE CB . 16047 1 37 . 1 1 4 4 PHE N N 15 111.954 0.1 . 1 . . . . 4 PHE N . 16047 1 38 . 1 1 5 5 CYS H H 1 7.345 0.01 . 1 . . . . 5 CYS H . 16047 1 39 . 1 1 5 5 CYS HA H 1 4.449 0.01 . 1 . . . . 5 CYS HA . 16047 1 40 . 1 1 5 5 CYS HB2 H 1 3.231 0.01 . 2 . . . . 5 CYS HB2 . 16047 1 41 . 1 1 5 5 CYS HB3 H 1 2.644 0.01 . 2 . . . . 5 CYS HB3 . 16047 1 42 . 1 1 5 5 CYS CA C 13 61.120 0.1 . 1 . . . . 5 CYS CA . 16047 1 43 . 1 1 5 5 CYS CB C 13 26.671 0.1 . 1 . . . . 5 CYS CB . 16047 1 44 . 1 1 5 5 CYS N N 15 117.351 0.1 . 1 . . . . 5 CYS N . 16047 1 45 . 1 1 6 6 ALA H H 1 8.322 0.01 . 1 . . . . 6 ALA H . 16047 1 46 . 1 1 6 6 ALA HA H 1 4.110 0.01 . 1 . . . . 6 ALA HA . 16047 1 47 . 1 1 6 6 ALA HB1 H 1 0.577 0.01 . 1 . . . . 6 ALA HB . 16047 1 48 . 1 1 6 6 ALA HB2 H 1 0.577 0.01 . 1 . . . . 6 ALA HB . 16047 1 49 . 1 1 6 6 ALA HB3 H 1 0.577 0.01 . 1 . . . . 6 ALA HB . 16047 1 50 . 1 1 6 6 ALA CA C 13 50.917 0.1 . 1 . . . . 6 ALA CA . 16047 1 51 . 1 1 6 6 ALA CB C 13 19.601 0.1 . 1 . . . . 6 ALA CB . 16047 1 52 . 1 1 6 6 ALA N N 15 130.110 0.1 . 1 . . . . 6 ALA N . 16047 1 53 . 1 1 7 7 THR H H 1 7.766 0.01 . 1 . . . . 7 THR H . 16047 1 54 . 1 1 7 7 THR HA H 1 4.558 0.01 . 1 . . . . 7 THR HA . 16047 1 55 . 1 1 7 7 THR HB H 1 3.851 0.01 . 1 . . . . 7 THR HB . 16047 1 56 . 1 1 7 7 THR HG21 H 1 0.953 0.01 . . . . . . 7 THR HG2 . 16047 1 57 . 1 1 7 7 THR HG22 H 1 0.953 0.01 . . . . . . 7 THR HG2 . 16047 1 58 . 1 1 7 7 THR HG23 H 1 0.953 0.01 . . . . . . 7 THR HG2 . 16047 1 59 . 1 1 7 7 THR CA C 13 63.269 0.1 . 1 . . . . 7 THR CA . 16047 1 60 . 1 1 7 7 THR CB C 13 68.898 0.1 . 1 . . . . 7 THR CB . 16047 1 61 . 1 1 7 7 THR CG2 C 13 21.885 0.1 . 1 . . . . 7 THR CG2 . 16047 1 62 . 1 1 7 7 THR N N 15 116.166 0.1 . 1 . . . . 7 THR N . 16047 1 63 . 1 1 8 8 TRP H H 1 9.608 0.01 . 1 . . . . 8 TRP H . 16047 1 64 . 1 1 8 8 TRP HA H 1 5.188 0.01 . 1 . . . . 8 TRP HA . 16047 1 65 . 1 1 8 8 TRP HB2 H 1 3.120 0.01 . 2 . . . . 8 TRP HB2 . 16047 1 66 . 1 1 8 8 TRP HB3 H 1 3.120 0.01 . 2 . . . . 8 TRP HB3 . 16047 1 67 . 1 1 8 8 TRP HD1 H 1 6.980 0.01 . 1 . . . . 8 TRP HD1 . 16047 1 68 . 1 1 8 8 TRP HE1 H 1 10.067 0.01 . 1 . . . . 8 TRP HE1 . 16047 1 69 . 1 1 8 8 TRP CA C 13 55.312 0.1 . 1 . . . . 8 TRP CA . 16047 1 70 . 1 1 8 8 TRP CB C 13 32.171 0.1 . 1 . . . . 8 TRP CB . 16047 1 71 . 1 1 8 8 TRP N N 15 128.461 0.1 . 1 . . . . 8 TRP N . 16047 1 72 . 1 1 8 8 TRP NE1 N 15 129.905 0.1 . 1 . . . . 8 TRP NE1 . 16047 1 73 . 1 1 9 9 LYS H H 1 9.697 0.01 . 1 . . . . 9 LYS H . 16047 1 74 . 1 1 9 9 LYS HA H 1 5.284 0.01 . 1 . . . . 9 LYS HA . 16047 1 75 . 1 1 9 9 LYS HB2 H 1 1.740 0.01 . 2 . . . . 9 LYS HB2 . 16047 1 76 . 1 1 9 9 LYS HB3 H 1 1.852 0.01 . 2 . . . . 9 LYS HB3 . 16047 1 77 . 1 1 9 9 LYS HD2 H 1 1.620 0.01 . 2 . . . . 9 LYS HD2 . 16047 1 78 . 1 1 9 9 LYS HD3 H 1 1.620 0.01 . 2 . . . . 9 LYS HD3 . 16047 1 79 . 1 1 9 9 LYS HE2 H 1 2.850 0.01 . 2 . . . . 9 LYS HE2 . 16047 1 80 . 1 1 9 9 LYS HE3 H 1 2.850 0.01 . 2 . . . . 9 LYS HE3 . 16047 1 81 . 1 1 9 9 LYS HG2 H 1 1.480 0.01 . 2 . . . . 9 LYS HG2 . 16047 1 82 . 1 1 9 9 LYS HG3 H 1 1.340 0.01 . 2 . . . . 9 LYS HG3 . 16047 1 83 . 1 1 9 9 LYS CA C 13 54.680 0.1 . 1 . . . . 9 LYS CA . 16047 1 84 . 1 1 9 9 LYS CB C 13 35.609 0.1 . 1 . . . . 9 LYS CB . 16047 1 85 . 1 1 9 9 LYS CD C 13 29.547 0.1 . 1 . . . . 9 LYS CD . 16047 1 86 . 1 1 9 9 LYS CE C 13 42.259 0.1 . 1 . . . . 9 LYS CE . 16047 1 87 . 1 1 9 9 LYS CG C 13 25.008 0.1 . 1 . . . . 9 LYS CG . 16047 1 88 . 1 1 9 9 LYS N N 15 121.749 0.1 . 1 . . . . 9 LYS N . 16047 1 89 . 1 1 10 10 LEU H H 1 7.682 0.01 . 1 . . . . 10 LEU H . 16047 1 90 . 1 1 10 10 LEU HA H 1 3.851 0.01 . 1 . . . . 10 LEU HA . 16047 1 91 . 1 1 10 10 LEU HB2 H 1 1.200 0.01 . 2 . . . . 10 LEU HB2 . 16047 1 92 . 1 1 10 10 LEU HB3 H 1 1.471 0.01 . 2 . . . . 10 LEU HB3 . 16047 1 93 . 1 1 10 10 LEU HD11 H 1 0.743 0.01 . 2 . . . . 10 LEU HD1 . 16047 1 94 . 1 1 10 10 LEU HD12 H 1 0.743 0.01 . 2 . . . . 10 LEU HD1 . 16047 1 95 . 1 1 10 10 LEU HD13 H 1 0.743 0.01 . 2 . . . . 10 LEU HD1 . 16047 1 96 . 1 1 10 10 LEU HD21 H 1 0.250 0.01 . 2 . . . . 10 LEU HD2 . 16047 1 97 . 1 1 10 10 LEU HD22 H 1 0.250 0.01 . 2 . . . . 10 LEU HD2 . 16047 1 98 . 1 1 10 10 LEU HD23 H 1 0.250 0.01 . 2 . . . . 10 LEU HD2 . 16047 1 99 . 1 1 10 10 LEU HG H 1 1.234 0.01 . 1 . . . . 10 LEU HG . 16047 1 100 . 1 1 10 10 LEU CA C 13 56.433 0.1 . 1 . . . . 10 LEU CA . 16047 1 101 . 1 1 10 10 LEU CB C 13 42.915 0.1 . 1 . . . . 10 LEU CB . 16047 1 102 . 1 1 10 10 LEU CD1 C 13 26.879 0.1 . 2 . . . . 10 LEU CD1 . 16047 1 103 . 1 1 10 10 LEU CD2 C 13 23.879 0.1 . 2 . . . . 10 LEU CD2 . 16047 1 104 . 1 1 10 10 LEU CG C 13 26.587 0.1 . 1 . . . . 10 LEU CG . 16047 1 105 . 1 1 10 10 LEU N N 15 126.007 0.1 . 1 . . . . 10 LEU N . 16047 1 106 . 1 1 11 11 THR H H 1 9.449 0.01 . 1 . . . . 11 THR H . 16047 1 107 . 1 1 11 11 THR HA H 1 4.471 0.01 . 1 . . . . 11 THR HA . 16047 1 108 . 1 1 11 11 THR HB H 1 4.091 0.01 . 1 . . . . 11 THR HB . 16047 1 109 . 1 1 11 11 THR HG21 H 1 1.108 0.01 . . . . . . 11 THR HG2 . 16047 1 110 . 1 1 11 11 THR HG22 H 1 1.108 0.01 . . . . . . 11 THR HG2 . 16047 1 111 . 1 1 11 11 THR HG23 H 1 1.108 0.01 . . . . . . 11 THR HG2 . 16047 1 112 . 1 1 11 11 THR CA C 13 61.948 0.1 . 1 . . . . 11 THR CA . 16047 1 113 . 1 1 11 11 THR CB C 13 69.851 0.1 . 1 . . . . 11 THR CB . 16047 1 114 . 1 1 11 11 THR CG2 C 13 22.442 0.1 . 1 . . . . 11 THR CG2 . 16047 1 115 . 1 1 11 11 THR N N 15 118.889 0.1 . 1 . . . . 11 THR N . 16047 1 116 . 1 1 12 12 ASN H H 1 7.543 0.01 . 1 . . . . 12 ASN H . 16047 1 117 . 1 1 12 12 ASN HA H 1 4.776 0.01 . 1 . . . . 12 ASN HA . 16047 1 118 . 1 1 12 12 ASN HB2 H 1 2.616 0.01 . 2 . . . . 12 ASN HB2 . 16047 1 119 . 1 1 12 12 ASN HB3 H 1 2.482 0.01 . 2 . . . . 12 ASN HB3 . 16047 1 120 . 1 1 12 12 ASN HD21 H 1 7.785 0.01 . 2 . . . . 12 ASN HD21 . 16047 1 121 . 1 1 12 12 ASN HD22 H 1 7.213 0.01 . 2 . . . . 12 ASN HD22 . 16047 1 122 . 1 1 12 12 ASN CA C 13 53.606 0.1 . 1 . . . . 12 ASN CA . 16047 1 123 . 1 1 12 12 ASN CB C 13 41.878 0.1 . 1 . . . . 12 ASN CB . 16047 1 124 . 1 1 12 12 ASN N N 15 119.167 0.1 . 1 . . . . 12 ASN N . 16047 1 125 . 1 1 12 12 ASN ND2 N 15 111.626 0.1 . 1 . . . . 12 ASN ND2 . 16047 1 126 . 1 1 13 13 SER H H 1 8.261 0.01 . 1 . . . . 13 SER H . 16047 1 127 . 1 1 13 13 SER HA H 1 4.966 0.01 . 1 . . . . 13 SER HA . 16047 1 128 . 1 1 13 13 SER HB2 H 1 3.334 0.01 . 2 . . . . 13 SER HB2 . 16047 1 129 . 1 1 13 13 SER HB3 H 1 3.629 0.01 . 2 . . . . 13 SER HB3 . 16047 1 130 . 1 1 13 13 SER CA C 13 57.394 0.1 . 1 . . . . 13 SER CA . 16047 1 131 . 1 1 13 13 SER CB C 13 64.851 0.1 . 1 . . . . 13 SER CB . 16047 1 132 . 1 1 13 13 SER N N 15 117.082 0.1 . 1 . . . . 13 SER N . 16047 1 133 . 1 1 14 14 GLN H H 1 9.245 0.01 . 1 . . . . 14 GLN H . 16047 1 134 . 1 1 14 14 GLN HA H 1 4.717 0.01 . 1 . . . . 14 GLN HA . 16047 1 135 . 1 1 14 14 GLN HB2 H 1 1.950 0.01 . 2 . . . . 14 GLN HB2 . 16047 1 136 . 1 1 14 14 GLN HB3 H 1 2.104 0.01 . 2 . . . . 14 GLN HB3 . 16047 1 137 . 1 1 14 14 GLN HE21 H 1 7.655 0.01 . 2 . . . . 14 GLN HE21 . 16047 1 138 . 1 1 14 14 GLN HE22 H 1 6.885 0.01 . 2 . . . . 14 GLN HE22 . 16047 1 139 . 1 1 14 14 GLN HG2 H 1 2.270 0.01 . 2 . . . . 14 GLN HG2 . 16047 1 140 . 1 1 14 14 GLN HG3 H 1 2.270 0.01 . 2 . . . . 14 GLN HG3 . 16047 1 141 . 1 1 14 14 GLN CA C 13 55.050 0.1 . 1 . . . . 14 GLN CA . 16047 1 142 . 1 1 14 14 GLN CB C 13 32.066 0.1 . 1 . . . . 14 GLN CB . 16047 1 143 . 1 1 14 14 GLN CG C 13 33.815 0.1 . 1 . . . . 14 GLN CG . 16047 1 144 . 1 1 14 14 GLN N N 15 128.006 0.1 . 1 . . . . 14 GLN N . 16047 1 145 . 1 1 14 14 GLN NE2 N 15 112.636 0.1 . 1 . . . . 14 GLN NE2 . 16047 1 146 . 1 1 15 15 ASN H H 1 9.325 0.01 . 1 . . . . 15 ASN H . 16047 1 147 . 1 1 15 15 ASN HA H 1 4.750 0.01 . 1 . . . . 15 ASN HA . 16047 1 148 . 1 1 15 15 ASN HB2 H 1 2.652 0.01 . 2 . . . . 15 ASN HB2 . 16047 1 149 . 1 1 15 15 ASN HB3 H 1 3.734 0.01 . 2 . . . . 15 ASN HB3 . 16047 1 150 . 1 1 15 15 ASN HD21 H 1 7.383 0.01 . 2 . . . . 15 ASN HD21 . 16047 1 151 . 1 1 15 15 ASN HD22 H 1 6.775 0.01 . 2 . . . . 15 ASN HD22 . 16047 1 152 . 1 1 15 15 ASN CA C 13 54.058 0.1 . 1 . . . . 15 ASN CA . 16047 1 153 . 1 1 15 15 ASN CB C 13 39.909 0.1 . 1 . . . . 15 ASN CB . 16047 1 154 . 1 1 15 15 ASN N N 15 123.249 0.1 . 1 . . . . 15 ASN N . 16047 1 155 . 1 1 15 15 ASN ND2 N 15 115.278 0.1 . 1 . . . . 15 ASN ND2 . 16047 1 156 . 1 1 16 16 PHE H H 1 8.642 0.01 . 1 . . . . 16 PHE H . 16047 1 157 . 1 1 16 16 PHE HA H 1 4.390 0.01 . 1 . . . . 16 PHE HA . 16047 1 158 . 1 1 16 16 PHE HB2 H 1 2.844 0.01 . 2 . . . . 16 PHE HB2 . 16047 1 159 . 1 1 16 16 PHE HB3 H 1 3.112 0.01 . 2 . . . . 16 PHE HB3 . 16047 1 160 . 1 1 16 16 PHE CA C 13 59.923 0.1 . 1 . . . . 16 PHE CA . 16047 1 161 . 1 1 16 16 PHE CB C 13 39.973 0.1 . 1 . . . . 16 PHE CB . 16047 1 162 . 1 1 16 16 PHE N N 15 120.449 0.1 . 1 . . . . 16 PHE N . 16047 1 163 . 1 1 17 17 ASP H H 1 8.626 0.01 . 1 . . . . 17 ASP H . 16047 1 164 . 1 1 17 17 ASP HA H 1 4.213 0.01 . 1 . . . . 17 ASP HA . 16047 1 165 . 1 1 17 17 ASP HB2 H 1 2.459 0.01 . 2 . . . . 17 ASP HB2 . 16047 1 166 . 1 1 17 17 ASP HB3 H 1 2.807 0.01 . 2 . . . . 17 ASP HB3 . 16047 1 167 . 1 1 17 17 ASP CA C 13 58.677 0.1 . 1 . . . . 17 ASP CA . 16047 1 168 . 1 1 17 17 ASP CB C 13 41.962 0.1 . 1 . . . . 17 ASP CB . 16047 1 169 . 1 1 17 17 ASP N N 15 120.399 0.1 . 1 . . . . 17 ASP N . 16047 1 170 . 1 1 18 18 GLU H H 1 8.162 0.01 . 1 . . . . 18 GLU H . 16047 1 171 . 1 1 18 18 GLU HA H 1 3.710 0.01 . 1 . . . . 18 GLU HA . 16047 1 172 . 1 1 18 18 GLU HB2 H 1 1.980 0.01 . 2 . . . . 18 GLU HB2 . 16047 1 173 . 1 1 18 18 GLU HB3 H 1 1.860 0.01 . 2 . . . . 18 GLU HB3 . 16047 1 174 . 1 1 18 18 GLU HG2 H 1 2.402 0.01 . 2 . . . . 18 GLU HG2 . 16047 1 175 . 1 1 18 18 GLU HG3 H 1 2.316 0.01 . 2 . . . . 18 GLU HG3 . 16047 1 176 . 1 1 18 18 GLU CA C 13 59.613 0.1 . 1 . . . . 18 GLU CA . 16047 1 177 . 1 1 18 18 GLU CB C 13 28.554 0.1 . 1 . . . . 18 GLU CB . 16047 1 178 . 1 1 18 18 GLU CG C 13 37.050 0.1 . 1 . . . . 18 GLU CG . 16047 1 179 . 1 1 18 18 GLU N N 15 118.615 0.1 . 1 . . . . 18 GLU N . 16047 1 180 . 1 1 19 19 TYR H H 1 7.553 0.01 . 1 . . . . 19 TYR H . 16047 1 181 . 1 1 19 19 TYR HA H 1 3.852 0.01 . 1 . . . . 19 TYR HA . 16047 1 182 . 1 1 19 19 TYR HB2 H 1 2.956 0.01 . 2 . . . . 19 TYR HB2 . 16047 1 183 . 1 1 19 19 TYR HB3 H 1 2.801 0.01 . 2 . . . . 19 TYR HB3 . 16047 1 184 . 1 1 19 19 TYR CA C 13 62.695 0.1 . 1 . . . . 19 TYR CA . 16047 1 185 . 1 1 19 19 TYR CB C 13 39.396 0.1 . 1 . . . . 19 TYR CB . 16047 1 186 . 1 1 19 19 TYR N N 15 121.629 0.1 . 1 . . . . 19 TYR N . 16047 1 187 . 1 1 20 20 MET H H 1 8.161 0.01 . 1 . . . . 20 MET H . 16047 1 188 . 1 1 20 20 MET HA H 1 3.178 0.01 . 1 . . . . 20 MET HA . 16047 1 189 . 1 1 20 20 MET HB2 H 1 2.058 0.01 . 2 . . . . 20 MET HB2 . 16047 1 190 . 1 1 20 20 MET HB3 H 1 1.162 0.01 . 2 . . . . 20 MET HB3 . 16047 1 191 . 1 1 20 20 MET HE1 H 1 2.040 0.01 . . . . . . 20 MET HE . 16047 1 192 . 1 1 20 20 MET HE2 H 1 2.040 0.01 . . . . . . 20 MET HE . 16047 1 193 . 1 1 20 20 MET HE3 H 1 2.040 0.01 . . . . . . 20 MET HE . 16047 1 194 . 1 1 20 20 MET HG2 H 1 1.583 0.01 . 2 . . . . 20 MET HG2 . 16047 1 195 . 1 1 20 20 MET HG3 H 1 1.349 0.01 . 2 . . . . 20 MET HG3 . 16047 1 196 . 1 1 20 20 MET CA C 13 60.236 0.1 . 1 . . . . 20 MET CA . 16047 1 197 . 1 1 20 20 MET CB C 13 34.584 0.1 . 1 . . . . 20 MET CB . 16047 1 198 . 1 1 20 20 MET CG C 13 32.545 0.1 . 1 . . . . 20 MET CG . 16047 1 199 . 1 1 20 20 MET N N 15 117.513 0.1 . 1 . . . . 20 MET N . 16047 1 200 . 1 1 21 21 LYS H H 1 8.438 0.01 . 1 . . . . 21 LYS H . 16047 1 201 . 1 1 21 21 LYS HA H 1 3.647 0.01 . 1 . . . . 21 LYS HA . 16047 1 202 . 1 1 21 21 LYS HB2 H 1 1.578 0.01 . 2 . . . . 21 LYS HB2 . 16047 1 203 . 1 1 21 21 LYS HB3 H 1 1.750 0.01 . 2 . . . . 21 LYS HB3 . 16047 1 204 . 1 1 21 21 LYS HD2 H 1 1.550 0.01 . 2 . . . . 21 LYS HD2 . 16047 1 205 . 1 1 21 21 LYS HD3 H 1 1.550 0.01 . 2 . . . . 21 LYS HD3 . 16047 1 206 . 1 1 21 21 LYS HE2 H 1 2.786 0.01 . 2 . . . . 21 LYS HE2 . 16047 1 207 . 1 1 21 21 LYS HE3 H 1 2.786 0.01 . 2 . . . . 21 LYS HE3 . 16047 1 208 . 1 1 21 21 LYS HG2 H 1 1.337 0.01 . 2 . . . . 21 LYS HG2 . 16047 1 209 . 1 1 21 21 LYS HG3 H 1 1.105 0.01 . 2 . . . . 21 LYS HG3 . 16047 1 210 . 1 1 21 21 LYS CA C 13 60.126 0.1 . 1 . . . . 21 LYS CA . 16047 1 211 . 1 1 21 21 LYS CB C 13 32.595 0.1 . 1 . . . . 21 LYS CB . 16047 1 212 . 1 1 21 21 LYS CD C 13 29.729 0.1 . 1 . . . . 21 LYS CD . 16047 1 213 . 1 1 21 21 LYS CE C 13 41.842 0.1 . 1 . . . . 21 LYS CE . 16047 1 214 . 1 1 21 21 LYS CG C 13 25.330 0.1 . 1 . . . . 21 LYS CG . 16047 1 215 . 1 1 21 21 LYS N N 15 119.674 0.1 . 1 . . . . 21 LYS N . 16047 1 216 . 1 1 22 22 ALA H H 1 7.956 0.01 . 1 . . . . 22 ALA H . 16047 1 217 . 1 1 22 22 ALA HA H 1 3.965 0.01 . 1 . . . . 22 ALA HA . 16047 1 218 . 1 1 22 22 ALA HB1 H 1 1.548 0.01 . 1 . . . . 22 ALA HB . 16047 1 219 . 1 1 22 22 ALA HB2 H 1 1.548 0.01 . 1 . . . . 22 ALA HB . 16047 1 220 . 1 1 22 22 ALA HB3 H 1 1.548 0.01 . 1 . . . . 22 ALA HB . 16047 1 221 . 1 1 22 22 ALA CA C 13 54.819 0.1 . 1 . . . . 22 ALA CA . 16047 1 222 . 1 1 22 22 ALA CB C 13 18.041 0.1 . 1 . . . . 22 ALA CB . 16047 1 223 . 1 1 22 22 ALA N N 15 124.648 0.1 . 1 . . . . 22 ALA N . 16047 1 224 . 1 1 23 23 LEU H H 1 7.302 0.01 . 1 . . . . 23 LEU H . 16047 1 225 . 1 1 23 23 LEU HA H 1 3.252 0.01 . 1 . . . . 23 LEU HA . 16047 1 226 . 1 1 23 23 LEU HB2 H 1 1.090 0.01 . 2 . . . . 23 LEU HB2 . 16047 1 227 . 1 1 23 23 LEU HB3 H 1 1.060 0.01 . 2 . . . . 23 LEU HB3 . 16047 1 228 . 1 1 23 23 LEU HD11 H 1 0.088 0.01 . 2 . . . . 23 LEU HD1 . 16047 1 229 . 1 1 23 23 LEU HD12 H 1 0.088 0.01 . 2 . . . . 23 LEU HD1 . 16047 1 230 . 1 1 23 23 LEU HD13 H 1 0.088 0.01 . 2 . . . . 23 LEU HD1 . 16047 1 231 . 1 1 23 23 LEU HD21 H 1 0.097 0.01 . 2 . . . . 23 LEU HD2 . 16047 1 232 . 1 1 23 23 LEU HD22 H 1 0.097 0.01 . 2 . . . . 23 LEU HD2 . 16047 1 233 . 1 1 23 23 LEU HD23 H 1 0.097 0.01 . 2 . . . . 23 LEU HD2 . 16047 1 234 . 1 1 23 23 LEU HG H 1 0.920 0.01 . 1 . . . . 23 LEU HG . 16047 1 235 . 1 1 23 23 LEU CA C 13 55.576 0.1 . 1 . . . . 23 LEU CA . 16047 1 236 . 1 1 23 23 LEU CB C 13 43.815 0.1 . 1 . . . . 23 LEU CB . 16047 1 237 . 1 1 23 23 LEU CD1 C 13 23.744 0.1 . 2 . . . . 23 LEU CD1 . 16047 1 238 . 1 1 23 23 LEU CD2 C 13 24.998 0.1 . 2 . . . . 23 LEU CD2 . 16047 1 239 . 1 1 23 23 LEU CG C 13 26.653 0.1 . 1 . . . . 23 LEU CG . 16047 1 240 . 1 1 23 23 LEU N N 15 116.984 0.1 . 1 . . . . 23 LEU N . 16047 1 241 . 1 1 24 24 GLY H H 1 7.491 0.01 . 1 . . . . 24 GLY H . 16047 1 242 . 1 1 24 24 GLY HA2 H 1 3.492 0.01 . 2 . . . . 24 GLY HA2 . 16047 1 243 . 1 1 24 24 GLY HA3 H 1 4.047 0.01 . 2 . . . . 24 GLY HA3 . 16047 1 244 . 1 1 24 24 GLY CA C 13 44.788 0.1 . 1 . . . . 24 GLY CA . 16047 1 245 . 1 1 24 24 GLY N N 15 106.587 0.1 . 1 . . . . 24 GLY N . 16047 1 246 . 1 1 25 25 VAL H H 1 7.482 0.01 . 1 . . . . 25 VAL H . 16047 1 247 . 1 1 25 25 VAL HA H 1 3.574 0.01 . 1 . . . . 25 VAL HA . 16047 1 248 . 1 1 25 25 VAL HB H 1 1.286 0.01 . 1 . . . . 25 VAL HB . 16047 1 249 . 1 1 25 25 VAL HG11 H 1 0.648 0.01 . 2 . . . . 25 VAL HG1 . 16047 1 250 . 1 1 25 25 VAL HG12 H 1 0.648 0.01 . 2 . . . . 25 VAL HG1 . 16047 1 251 . 1 1 25 25 VAL HG13 H 1 0.648 0.01 . 2 . . . . 25 VAL HG1 . 16047 1 252 . 1 1 25 25 VAL HG21 H 1 0.846 0.01 . 2 . . . . 25 VAL HG2 . 16047 1 253 . 1 1 25 25 VAL HG22 H 1 0.846 0.01 . 2 . . . . 25 VAL HG2 . 16047 1 254 . 1 1 25 25 VAL HG23 H 1 0.846 0.01 . 2 . . . . 25 VAL HG2 . 16047 1 255 . 1 1 25 25 VAL CA C 13 63.255 0.1 . 1 . . . . 25 VAL CA . 16047 1 256 . 1 1 25 25 VAL CB C 13 31.735 0.1 . 1 . . . . 25 VAL CB . 16047 1 257 . 1 1 25 25 VAL CG1 C 13 22.587 0.1 . 2 . . . . 25 VAL CG1 . 16047 1 258 . 1 1 25 25 VAL CG2 C 13 22.586 0.1 . 2 . . . . 25 VAL CG2 . 16047 1 259 . 1 1 25 25 VAL N N 15 122.758 0.1 . 1 . . . . 25 VAL N . 16047 1 260 . 1 1 26 26 GLY H H 1 8.785 0.01 . 1 . . . . 26 GLY H . 16047 1 261 . 1 1 26 26 GLY HA2 H 1 3.935 0.01 . 2 . . . . 26 GLY HA2 . 16047 1 262 . 1 1 26 26 GLY HA3 H 1 3.927 0.01 . 2 . . . . 26 GLY HA3 . 16047 1 263 . 1 1 26 26 GLY CA C 13 45.418 0.1 . 1 . . . . 26 GLY CA . 16047 1 264 . 1 1 26 26 GLY N N 15 116.430 0.1 . 1 . . . . 26 GLY N . 16047 1 265 . 1 1 27 27 PHE H H 1 8.545 0.01 . 1 . . . . 27 PHE H . 16047 1 266 . 1 1 27 27 PHE HA H 1 3.762 0.01 . 1 . . . . 27 PHE HA . 16047 1 267 . 1 1 27 27 PHE HB2 H 1 3.162 0.01 . 2 . . . . 27 PHE HB2 . 16047 1 268 . 1 1 27 27 PHE HB3 H 1 2.921 0.01 . 2 . . . . 27 PHE HB3 . 16047 1 269 . 1 1 27 27 PHE CA C 13 62.817 0.1 . 1 . . . . 27 PHE CA . 16047 1 270 . 1 1 27 27 PHE CB C 13 39.427 0.1 . 1 . . . . 27 PHE CB . 16047 1 271 . 1 1 27 27 PHE N N 15 122.136 0.1 . 1 . . . . 27 PHE N . 16047 1 272 . 1 1 28 28 ALA H H 1 8.725 0.01 . 1 . . . . 28 ALA H . 16047 1 273 . 1 1 28 28 ALA HA H 1 3.867 0.01 . 1 . . . . 28 ALA HA . 16047 1 274 . 1 1 28 28 ALA HB1 H 1 1.345 0.01 . 1 . . . . 28 ALA HB . 16047 1 275 . 1 1 28 28 ALA HB2 H 1 1.345 0.01 . 1 . . . . 28 ALA HB . 16047 1 276 . 1 1 28 28 ALA HB3 H 1 1.345 0.01 . 1 . . . . 28 ALA HB . 16047 1 277 . 1 1 28 28 ALA CA C 13 55.352 0.1 . 1 . . . . 28 ALA CA . 16047 1 278 . 1 1 28 28 ALA CB C 13 17.766 0.1 . 1 . . . . 28 ALA CB . 16047 1 279 . 1 1 28 28 ALA N N 15 121.449 0.1 . 1 . . . . 28 ALA N . 16047 1 280 . 1 1 29 29 THR H H 1 7.515 0.01 . 1 . . . . 29 THR H . 16047 1 281 . 1 1 29 29 THR HA H 1 3.567 0.01 . 1 . . . . 29 THR HA . 16047 1 282 . 1 1 29 29 THR HB H 1 3.822 0.01 . 1 . . . . 29 THR HB . 16047 1 283 . 1 1 29 29 THR HG21 H 1 0.786 0.01 . . . . . . 29 THR HG2 . 16047 1 284 . 1 1 29 29 THR HG22 H 1 0.786 0.01 . . . . . . 29 THR HG2 . 16047 1 285 . 1 1 29 29 THR HG23 H 1 0.786 0.01 . . . . . . 29 THR HG2 . 16047 1 286 . 1 1 29 29 THR CA C 13 65.876 0.1 . 1 . . . . 29 THR CA . 16047 1 287 . 1 1 29 29 THR CB C 13 67.626 0.1 . 1 . . . . 29 THR CB . 16047 1 288 . 1 1 29 29 THR CG2 C 13 22.671 0.1 . 1 . . . . 29 THR CG2 . 16047 1 289 . 1 1 29 29 THR N N 15 116.449 0.1 . 1 . . . . 29 THR N . 16047 1 290 . 1 1 30 30 ARG H H 1 8.387 0.01 . 1 . . . . 30 ARG H . 16047 1 291 . 1 1 30 30 ARG HA H 1 3.795 0.01 . 1 . . . . 30 ARG HA . 16047 1 292 . 1 1 30 30 ARG HB2 H 1 1.590 0.01 . 2 . . . . 30 ARG HB2 . 16047 1 293 . 1 1 30 30 ARG HB3 H 1 1.585 0.01 . 2 . . . . 30 ARG HB3 . 16047 1 294 . 1 1 30 30 ARG HD2 H 1 2.637 0.01 . 2 . . . . 30 ARG HD2 . 16047 1 295 . 1 1 30 30 ARG HD3 H 1 3.035 0.01 . 2 . . . . 30 ARG HD3 . 16047 1 296 . 1 1 30 30 ARG HG2 H 1 1.209 0.01 . 2 . . . . 30 ARG HG2 . 16047 1 297 . 1 1 30 30 ARG HG3 H 1 1.598 0.01 . 2 . . . . 30 ARG HG3 . 16047 1 298 . 1 1 30 30 ARG CA C 13 59.681 0.1 . 1 . . . . 30 ARG CA . 16047 1 299 . 1 1 30 30 ARG CB C 13 29.767 0.1 . 1 . . . . 30 ARG CB . 16047 1 300 . 1 1 30 30 ARG CD C 13 44.426 0.1 . 1 . . . . 30 ARG CD . 16047 1 301 . 1 1 30 30 ARG CG C 13 27.400 0.1 . 1 . . . . 30 ARG CG . 16047 1 302 . 1 1 30 30 ARG N N 15 123.934 0.1 . 1 . . . . 30 ARG N . 16047 1 303 . 1 1 31 31 GLN H H 1 7.640 0.01 . 1 . . . . 31 GLN H . 16047 1 304 . 1 1 31 31 GLN HA H 1 3.747 0.01 . 1 . . . . 31 GLN HA . 16047 1 305 . 1 1 31 31 GLN HB2 H 1 1.803 0.01 . 2 . . . . 31 GLN HB2 . 16047 1 306 . 1 1 31 31 GLN HB3 H 1 1.810 0.01 . 2 . . . . 31 GLN HB3 . 16047 1 307 . 1 1 31 31 GLN HE21 H 1 6.901 0.01 . 2 . . . . 31 GLN HE21 . 16047 1 308 . 1 1 31 31 GLN HE22 H 1 6.839 0.01 . 2 . . . . 31 GLN HE22 . 16047 1 309 . 1 1 31 31 GLN HG2 H 1 1.910 0.01 . 2 . . . . 31 GLN HG2 . 16047 1 310 . 1 1 31 31 GLN HG3 H 1 1.910 0.01 . 2 . . . . 31 GLN HG3 . 16047 1 311 . 1 1 31 31 GLN CA C 13 58.842 0.1 . 1 . . . . 31 GLN CA . 16047 1 312 . 1 1 31 31 GLN CB C 13 28.127 0.1 . 1 . . . . 31 GLN CB . 16047 1 313 . 1 1 31 31 GLN CG C 13 33.791 0.1 . 1 . . . . 31 GLN CG . 16047 1 314 . 1 1 31 31 GLN N N 15 116.754 0.1 . 1 . . . . 31 GLN N . 16047 1 315 . 1 1 31 31 GLN NE2 N 15 114.026 0.1 . 1 . . . . 31 GLN NE2 . 16047 1 316 . 1 1 32 32 VAL H H 1 6.710 0.01 . 1 . . . . 32 VAL H . 16047 1 317 . 1 1 32 32 VAL HA H 1 3.582 0.01 . 1 . . . . 32 VAL HA . 16047 1 318 . 1 1 32 32 VAL HB H 1 1.578 0.01 . 1 . . . . 32 VAL HB . 16047 1 319 . 1 1 32 32 VAL HG11 H 1 0.316 0.01 . 2 . . . . 32 VAL HG1 . 16047 1 320 . 1 1 32 32 VAL HG12 H 1 0.316 0.01 . 2 . . . . 32 VAL HG1 . 16047 1 321 . 1 1 32 32 VAL HG13 H 1 0.316 0.01 . 2 . . . . 32 VAL HG1 . 16047 1 322 . 1 1 32 32 VAL HG21 H 1 0.639 0.01 . 2 . . . . 32 VAL HG2 . 16047 1 323 . 1 1 32 32 VAL HG22 H 1 0.639 0.01 . 2 . . . . 32 VAL HG2 . 16047 1 324 . 1 1 32 32 VAL HG23 H 1 0.639 0.01 . 2 . . . . 32 VAL HG2 . 16047 1 325 . 1 1 32 32 VAL CA C 13 64.980 0.1 . 1 . . . . 32 VAL CA . 16047 1 326 . 1 1 32 32 VAL CB C 13 31.618 0.1 . 1 . . . . 32 VAL CB . 16047 1 327 . 1 1 32 32 VAL CG1 C 13 20.832 0.1 . 2 . . . . 32 VAL CG1 . 16047 1 328 . 1 1 32 32 VAL CG2 C 13 21.011 0.1 . 2 . . . . 32 VAL CG2 . 16047 1 329 . 1 1 32 32 VAL N N 15 117.538 0.1 . 1 . . . . 32 VAL N . 16047 1 330 . 1 1 33 33 GLY H H 1 8.819 0.01 . 1 . . . . 33 GLY H . 16047 1 331 . 1 1 33 33 GLY HA2 H 1 3.439 0.01 . 2 . . . . 33 GLY HA2 . 16047 1 332 . 1 1 33 33 GLY HA3 H 1 3.570 0.01 . 2 . . . . 33 GLY HA3 . 16047 1 333 . 1 1 33 33 GLY CA C 13 47.422 0.1 . 1 . . . . 33 GLY CA . 16047 1 334 . 1 1 33 33 GLY N N 15 111.696 0.1 . 1 . . . . 33 GLY N . 16047 1 335 . 1 1 34 34 ASN H H 1 8.155 0.01 . 1 . . . . 34 ASN H . 16047 1 336 . 1 1 34 34 ASN HA H 1 4.738 0.01 . 1 . . . . 34 ASN HA . 16047 1 337 . 1 1 34 34 ASN HB2 H 1 2.689 0.01 . 2 . . . . 34 ASN HB2 . 16047 1 338 . 1 1 34 34 ASN HB3 H 1 2.600 0.01 . 2 . . . . 34 ASN HB3 . 16047 1 339 . 1 1 34 34 ASN HD21 H 1 7.424 0.01 . 2 . . . . 34 ASN HD21 . 16047 1 340 . 1 1 34 34 ASN HD22 H 1 6.812 0.01 . 2 . . . . 34 ASN HD22 . 16047 1 341 . 1 1 34 34 ASN CA C 13 55.576 0.1 . 1 . . . . 34 ASN CA . 16047 1 342 . 1 1 34 34 ASN CB C 13 39.455 0.1 . 1 . . . . 34 ASN CB . 16047 1 343 . 1 1 34 34 ASN N N 15 117.761 0.1 . 1 . . . . 34 ASN N . 16047 1 344 . 1 1 34 34 ASN ND2 N 15 113.431 0.1 . 1 . . . . 34 ASN ND2 . 16047 1 345 . 1 1 35 35 VAL H H 1 7.158 0.01 . 1 . . . . 35 VAL H . 16047 1 346 . 1 1 35 35 VAL HA H 1 4.440 0.01 . 1 . . . . 35 VAL HA . 16047 1 347 . 1 1 35 35 VAL HB H 1 2.210 0.01 . 1 . . . . 35 VAL HB . 16047 1 348 . 1 1 35 35 VAL HG11 H 1 0.893 0.01 . 2 . . . . 35 VAL HG1 . 16047 1 349 . 1 1 35 35 VAL HG12 H 1 0.893 0.01 . 2 . . . . 35 VAL HG1 . 16047 1 350 . 1 1 35 35 VAL HG13 H 1 0.893 0.01 . 2 . . . . 35 VAL HG1 . 16047 1 351 . 1 1 35 35 VAL HG21 H 1 0.856 0.01 . 2 . . . . 35 VAL HG2 . 16047 1 352 . 1 1 35 35 VAL HG22 H 1 0.856 0.01 . 2 . . . . 35 VAL HG2 . 16047 1 353 . 1 1 35 35 VAL HG23 H 1 0.856 0.01 . 2 . . . . 35 VAL HG2 . 16047 1 354 . 1 1 35 35 VAL CA C 13 61.881 0.1 . 1 . . . . 35 VAL CA . 16047 1 355 . 1 1 35 35 VAL CB C 13 33.246 0.1 . 1 . . . . 35 VAL CB . 16047 1 356 . 1 1 35 35 VAL CG1 C 13 19.560 0.1 . 2 . . . . 35 VAL CG1 . 16047 1 357 . 1 1 35 35 VAL CG2 C 13 21.081 0.1 . 2 . . . . 35 VAL CG2 . 16047 1 358 . 1 1 35 35 VAL N N 15 112.617 0.1 . 1 . . . . 35 VAL N . 16047 1 359 . 1 1 36 36 THR H H 1 7.344 0.01 . 1 . . . . 36 THR H . 16047 1 360 . 1 1 36 36 THR HA H 1 4.133 0.01 . 1 . . . . 36 THR HA . 16047 1 361 . 1 1 36 36 THR HB H 1 3.937 0.01 . 1 . . . . 36 THR HB . 16047 1 362 . 1 1 36 36 THR HG21 H 1 1.160 0.01 . . . . . . 36 THR HG2 . 16047 1 363 . 1 1 36 36 THR HG22 H 1 1.160 0.01 . . . . . . 36 THR HG2 . 16047 1 364 . 1 1 36 36 THR HG23 H 1 1.160 0.01 . . . . . . 36 THR HG2 . 16047 1 365 . 1 1 36 36 THR CA C 13 63.814 0.1 . 1 . . . . 36 THR CA . 16047 1 366 . 1 1 36 36 THR CB C 13 69.460 0.1 . 1 . . . . 36 THR CB . 16047 1 367 . 1 1 36 36 THR CG2 C 13 21.648 0.1 . 1 . . . . 36 THR CG2 . 16047 1 368 . 1 1 36 36 THR N N 15 118.507 0.1 . 1 . . . . 36 THR N . 16047 1 369 . 1 1 38 38 PRO HA H 1 4.740 0.01 . 1 . . . . 38 PRO HA . 16047 1 370 . 1 1 38 38 PRO HB2 H 1 1.803 0.01 . 2 . . . . 38 PRO HB2 . 16047 1 371 . 1 1 38 38 PRO HB3 H 1 2.028 0.01 . 2 . . . . 38 PRO HB3 . 16047 1 372 . 1 1 38 38 PRO HD2 H 1 3.673 0.01 . 2 . . . . 38 PRO HD2 . 16047 1 373 . 1 1 38 38 PRO HD3 H 1 3.588 0.01 . 2 . . . . 38 PRO HD3 . 16047 1 374 . 1 1 38 38 PRO HG2 H 1 1.887 0.01 . 2 . . . . 38 PRO HG2 . 16047 1 375 . 1 1 38 38 PRO HG3 H 1 1.609 0.01 . 2 . . . . 38 PRO HG3 . 16047 1 376 . 1 1 38 38 PRO CA C 13 62.741 0.1 . 1 . . . . 38 PRO CA . 16047 1 377 . 1 1 38 38 PRO CB C 13 33.460 0.1 . 1 . . . . 38 PRO CB . 16047 1 378 . 1 1 38 38 PRO CD C 13 51.486 0.1 . 1 . . . . 38 PRO CD . 16047 1 379 . 1 1 38 38 PRO CG C 13 27.346 0.1 . 1 . . . . 38 PRO CG . 16047 1 380 . 1 1 39 39 THR H H 1 8.486 0.01 . 1 . . . . 39 THR H . 16047 1 381 . 1 1 39 39 THR HA H 1 5.181 0.01 . 1 . . . . 39 THR HA . 16047 1 382 . 1 1 39 39 THR HB H 1 3.957 0.01 . 1 . . . . 39 THR HB . 16047 1 383 . 1 1 39 39 THR HG21 H 1 1.124 0.01 . . . . . . 39 THR HG2 . 16047 1 384 . 1 1 39 39 THR HG22 H 1 1.124 0.01 . . . . . . 39 THR HG2 . 16047 1 385 . 1 1 39 39 THR HG23 H 1 1.124 0.01 . . . . . . 39 THR HG2 . 16047 1 386 . 1 1 39 39 THR CA C 13 62.014 0.1 . 1 . . . . 39 THR CA . 16047 1 387 . 1 1 39 39 THR CB C 13 70.957 0.1 . 1 . . . . 39 THR CB . 16047 1 388 . 1 1 39 39 THR CG2 C 13 21.656 0.1 . 1 . . . . 39 THR CG2 . 16047 1 389 . 1 1 39 39 THR N N 15 118.274 0.1 . 1 . . . . 39 THR N . 16047 1 390 . 1 1 40 40 VAL H H 1 9.705 0.01 . 1 . . . . 40 VAL H . 16047 1 391 . 1 1 40 40 VAL HA H 1 4.933 0.01 . 1 . . . . 40 VAL HA . 16047 1 392 . 1 1 40 40 VAL HB H 1 1.668 0.01 . 1 . . . . 40 VAL HB . 16047 1 393 . 1 1 40 40 VAL HG11 H 1 0.640 0.01 . 2 . . . . 40 VAL HG1 . 16047 1 394 . 1 1 40 40 VAL HG12 H 1 0.640 0.01 . 2 . . . . 40 VAL HG1 . 16047 1 395 . 1 1 40 40 VAL HG13 H 1 0.640 0.01 . 2 . . . . 40 VAL HG1 . 16047 1 396 . 1 1 40 40 VAL HG21 H 1 0.790 0.01 . 2 . . . . 40 VAL HG2 . 16047 1 397 . 1 1 40 40 VAL HG22 H 1 0.790 0.01 . 2 . . . . 40 VAL HG2 . 16047 1 398 . 1 1 40 40 VAL HG23 H 1 0.790 0.01 . 2 . . . . 40 VAL HG2 . 16047 1 399 . 1 1 40 40 VAL CA C 13 61.095 0.1 . 1 . . . . 40 VAL CA . 16047 1 400 . 1 1 40 40 VAL CB C 13 34.857 0.1 . 1 . . . . 40 VAL CB . 16047 1 401 . 1 1 40 40 VAL CG1 C 13 20.854 0.1 . 2 . . . . 40 VAL CG1 . 16047 1 402 . 1 1 40 40 VAL CG2 C 13 21.414 0.1 . 2 . . . . 40 VAL CG2 . 16047 1 403 . 1 1 40 40 VAL N N 15 129.501 0.1 . 1 . . . . 40 VAL N . 16047 1 404 . 1 1 41 41 ILE H H 1 9.792 0.01 . 1 . . . . 41 ILE H . 16047 1 405 . 1 1 41 41 ILE HA H 1 5.001 0.01 . 1 . . . . 41 ILE HA . 16047 1 406 . 1 1 41 41 ILE HB H 1 1.638 0.01 . 1 . . . . 41 ILE HB . 16047 1 407 . 1 1 41 41 ILE HD11 H 1 0.767 0.01 . 1 . . . . 41 ILE HD1 . 16047 1 408 . 1 1 41 41 ILE HD12 H 1 0.767 0.01 . 1 . . . . 41 ILE HD1 . 16047 1 409 . 1 1 41 41 ILE HD13 H 1 0.767 0.01 . 1 . . . . 41 ILE HD1 . 16047 1 410 . 1 1 41 41 ILE HG12 H 1 1.146 0.01 . 2 . . . . 41 ILE HG12 . 16047 1 411 . 1 1 41 41 ILE HG13 H 1 1.452 0.01 . 2 . . . . 41 ILE HG13 . 16047 1 412 . 1 1 41 41 ILE HG21 H 1 0.738 0.01 . 1 . . . . 41 ILE HG2 . 16047 1 413 . 1 1 41 41 ILE HG22 H 1 0.738 0.01 . 1 . . . . 41 ILE HG2 . 16047 1 414 . 1 1 41 41 ILE HG23 H 1 0.738 0.01 . 1 . . . . 41 ILE HG2 . 16047 1 415 . 1 1 41 41 ILE CA C 13 61.240 0.1 . 1 . . . . 41 ILE CA . 16047 1 416 . 1 1 41 41 ILE CB C 13 40.350 0.1 . 1 . . . . 41 ILE CB . 16047 1 417 . 1 1 41 41 ILE CD1 C 13 14.785 0.1 . 1 . . . . 41 ILE CD1 . 16047 1 418 . 1 1 41 41 ILE CG1 C 13 27.929 0.1 . 1 . . . . 41 ILE CG1 . 16047 1 419 . 1 1 41 41 ILE CG2 C 13 18.156 0.1 . 1 . . . . 41 ILE CG2 . 16047 1 420 . 1 1 41 41 ILE N N 15 128.935 0.1 . 1 . . . . 41 ILE N . 16047 1 421 . 1 1 42 42 ILE H H 1 8.263 0.01 . 1 . . . . 42 ILE H . 16047 1 422 . 1 1 42 42 ILE HA H 1 5.201 0.01 . 1 . . . . 42 ILE HA . 16047 1 423 . 1 1 42 42 ILE HB H 1 2.477 0.01 . 1 . . . . 42 ILE HB . 16047 1 424 . 1 1 42 42 ILE HD11 H 1 0.697 0.01 . 1 . . . . 42 ILE HD1 . 16047 1 425 . 1 1 42 42 ILE HD12 H 1 0.697 0.01 . 1 . . . . 42 ILE HD1 . 16047 1 426 . 1 1 42 42 ILE HD13 H 1 0.697 0.01 . 1 . . . . 42 ILE HD1 . 16047 1 427 . 1 1 42 42 ILE HG12 H 1 0.990 0.01 . 2 . . . . 42 ILE HG12 . 16047 1 428 . 1 1 42 42 ILE HG13 H 1 0.962 0.01 . 2 . . . . 42 ILE HG13 . 16047 1 429 . 1 1 42 42 ILE HG21 H 1 0.694 0.01 . 1 . . . . 42 ILE HG2 . 16047 1 430 . 1 1 42 42 ILE HG22 H 1 0.694 0.01 . 1 . . . . 42 ILE HG2 . 16047 1 431 . 1 1 42 42 ILE HG23 H 1 0.694 0.01 . 1 . . . . 42 ILE HG2 . 16047 1 432 . 1 1 42 42 ILE CA C 13 60.637 0.1 . 1 . . . . 42 ILE CA . 16047 1 433 . 1 1 42 42 ILE CB C 13 38.160 0.1 . 1 . . . . 42 ILE CB . 16047 1 434 . 1 1 42 42 ILE CD1 C 13 12.323 0.1 . 1 . . . . 42 ILE CD1 . 16047 1 435 . 1 1 42 42 ILE CG1 C 13 28.773 0.1 . 1 . . . . 42 ILE CG1 . 16047 1 436 . 1 1 42 42 ILE CG2 C 13 15.512 0.1 . 1 . . . . 42 ILE CG2 . 16047 1 437 . 1 1 42 42 ILE N N 15 130.911 0.1 . 1 . . . . 42 ILE N . 16047 1 438 . 1 1 43 43 SER H H 1 9.170 0.01 . 1 . . . . 43 SER H . 16047 1 439 . 1 1 43 43 SER HA H 1 4.693 0.01 . 1 . . . . 43 SER HA . 16047 1 440 . 1 1 43 43 SER HB2 H 1 3.695 0.01 . 2 . . . . 43 SER HB2 . 16047 1 441 . 1 1 43 43 SER HB3 H 1 3.544 0.01 . 2 . . . . 43 SER HB3 . 16047 1 442 . 1 1 43 43 SER CA C 13 57.008 0.1 . 1 . . . . 43 SER CA . 16047 1 443 . 1 1 43 43 SER CB C 13 66.015 0.1 . 1 . . . . 43 SER CB . 16047 1 444 . 1 1 43 43 SER N N 15 122.690 0.1 . 1 . . . . 43 SER N . 16047 1 445 . 1 1 44 44 GLN H H 1 8.399 0.01 . 1 . . . . 44 GLN H . 16047 1 446 . 1 1 44 44 GLN HA H 1 4.858 0.01 . 1 . . . . 44 GLN HA . 16047 1 447 . 1 1 44 44 GLN HB2 H 1 1.901 0.01 . 2 . . . . 44 GLN HB2 . 16047 1 448 . 1 1 44 44 GLN HB3 H 1 1.765 0.01 . 2 . . . . 44 GLN HB3 . 16047 1 449 . 1 1 44 44 GLN HE21 H 1 6.745 0.01 . 2 . . . . 44 GLN HE21 . 16047 1 450 . 1 1 44 44 GLN HE22 H 1 7.337 0.01 . 2 . . . . 44 GLN HE22 . 16047 1 451 . 1 1 44 44 GLN HG2 H 1 2.009 0.01 . 2 . . . . 44 GLN HG2 . 16047 1 452 . 1 1 44 44 GLN HG3 H 1 2.190 0.01 . 2 . . . . 44 GLN HG3 . 16047 1 453 . 1 1 44 44 GLN CA C 13 54.905 0.1 . 1 . . . . 44 GLN CA . 16047 1 454 . 1 1 44 44 GLN CB C 13 31.849 0.1 . 1 . . . . 44 GLN CB . 16047 1 455 . 1 1 44 44 GLN CG C 13 35.013 0.1 . 1 . . . . 44 GLN CG . 16047 1 456 . 1 1 44 44 GLN N N 15 118.706 0.1 . 1 . . . . 44 GLN N . 16047 1 457 . 1 1 44 44 GLN NE2 N 15 111.016 0.1 . 1 . . . . 44 GLN NE2 . 16047 1 458 . 1 1 45 45 GLU H H 1 8.426 0.01 . 1 . . . . 45 GLU H . 16047 1 459 . 1 1 45 45 GLU HA H 1 4.387 0.01 . 1 . . . . 45 GLU HA . 16047 1 460 . 1 1 45 45 GLU HB2 H 1 1.517 0.01 . 2 . . . . 45 GLU HB2 . 16047 1 461 . 1 1 45 45 GLU HB3 H 1 1.693 0.01 . 2 . . . . 45 GLU HB3 . 16047 1 462 . 1 1 45 45 GLU HG2 H 1 1.942 0.01 . 2 . . . . 45 GLU HG2 . 16047 1 463 . 1 1 45 45 GLU HG3 H 1 1.938 0.01 . 2 . . . . 45 GLU HG3 . 16047 1 464 . 1 1 45 45 GLU CA C 13 54.642 0.1 . 1 . . . . 45 GLU CA . 16047 1 465 . 1 1 45 45 GLU CB C 13 30.660 0.1 . 1 . . . . 45 GLU CB . 16047 1 466 . 1 1 45 45 GLU CG C 13 35.702 0.1 . 1 . . . . 45 GLU CG . 16047 1 467 . 1 1 45 45 GLU N N 15 126.405 0.1 . 1 . . . . 45 GLU N . 16047 1 468 . 1 1 46 46 GLY H H 1 8.879 0.01 . 1 . . . . 46 GLY H . 16047 1 469 . 1 1 46 46 GLY HA2 H 1 3.522 0.01 . 2 . . . . 46 GLY HA2 . 16047 1 470 . 1 1 46 46 GLY HA3 H 1 3.852 0.01 . 2 . . . . 46 GLY HA3 . 16047 1 471 . 1 1 46 46 GLY CA C 13 47.192 0.1 . 1 . . . . 46 GLY CA . 16047 1 472 . 1 1 46 46 GLY N N 15 117.792 0.1 . 1 . . . . 46 GLY N . 16047 1 473 . 1 1 47 47 ASP H H 1 8.649 0.01 . 1 . . . . 47 ASP H . 16047 1 474 . 1 1 47 47 ASP HA H 1 4.498 0.01 . 1 . . . . 47 ASP HA . 16047 1 475 . 1 1 47 47 ASP HB2 H 1 2.636 0.01 . 2 . . . . 47 ASP HB2 . 16047 1 476 . 1 1 47 47 ASP HB3 H 1 2.640 0.01 . 2 . . . . 47 ASP HB3 . 16047 1 477 . 1 1 47 47 ASP CA C 13 54.197 0.1 . 1 . . . . 47 ASP CA . 16047 1 478 . 1 1 47 47 ASP CB C 13 40.659 0.1 . 1 . . . . 47 ASP CB . 16047 1 479 . 1 1 47 47 ASP N N 15 127.367 0.1 . 1 . . . . 47 ASP N . 16047 1 480 . 1 1 48 48 LYS H H 1 7.688 0.01 . 1 . . . . 48 LYS H . 16047 1 481 . 1 1 48 48 LYS HA H 1 4.446 0.01 . 1 . . . . 48 LYS HA . 16047 1 482 . 1 1 48 48 LYS HB2 H 1 1.356 0.01 . 2 . . . . 48 LYS HB2 . 16047 1 483 . 1 1 48 48 LYS HB3 H 1 1.536 0.01 . 2 . . . . 48 LYS HB3 . 16047 1 484 . 1 1 48 48 LYS HD2 H 1 1.300 0.01 . 2 . . . . 48 LYS HD2 . 16047 1 485 . 1 1 48 48 LYS HD3 H 1 1.270 0.01 . 2 . . . . 48 LYS HD3 . 16047 1 486 . 1 1 48 48 LYS HE2 H 1 2.750 0.01 . 2 . . . . 48 LYS HE2 . 16047 1 487 . 1 1 48 48 LYS HE3 H 1 2.750 0.01 . 2 . . . . 48 LYS HE3 . 16047 1 488 . 1 1 48 48 LYS HG2 H 1 1.488 0.01 . 2 . . . . 48 LYS HG2 . 16047 1 489 . 1 1 48 48 LYS HG3 H 1 0.993 0.01 . 2 . . . . 48 LYS HG3 . 16047 1 490 . 1 1 48 48 LYS CA C 13 54.649 0.1 . 1 . . . . 48 LYS CA . 16047 1 491 . 1 1 48 48 LYS CB C 13 34.427 0.1 . 1 . . . . 48 LYS CB . 16047 1 492 . 1 1 48 48 LYS CD C 13 28.894 0.1 . 1 . . . . 48 LYS CD . 16047 1 493 . 1 1 48 48 LYS CE C 13 41.969 0.1 . 1 . . . . 48 LYS CE . 16047 1 494 . 1 1 48 48 LYS CG C 13 25.037 0.1 . 1 . . . . 48 LYS CG . 16047 1 495 . 1 1 48 48 LYS N N 15 119.289 0.1 . 1 . . . . 48 LYS N . 16047 1 496 . 1 1 49 49 VAL H H 1 8.491 0.01 . 1 . . . . 49 VAL H . 16047 1 497 . 1 1 49 49 VAL HA H 1 4.092 0.01 . 1 . . . . 49 VAL HA . 16047 1 498 . 1 1 49 49 VAL HB H 1 0.780 0.01 . 1 . . . . 49 VAL HB . 16047 1 499 . 1 1 49 49 VAL HG11 H 1 0.439 0.01 . 2 . . . . 49 VAL HG1 . 16047 1 500 . 1 1 49 49 VAL HG12 H 1 0.439 0.01 . 2 . . . . 49 VAL HG1 . 16047 1 501 . 1 1 49 49 VAL HG13 H 1 0.439 0.01 . 2 . . . . 49 VAL HG1 . 16047 1 502 . 1 1 49 49 VAL HG21 H 1 0.579 0.01 . 2 . . . . 49 VAL HG2 . 16047 1 503 . 1 1 49 49 VAL HG22 H 1 0.579 0.01 . 2 . . . . 49 VAL HG2 . 16047 1 504 . 1 1 49 49 VAL HG23 H 1 0.579 0.01 . 2 . . . . 49 VAL HG2 . 16047 1 505 . 1 1 49 49 VAL CA C 13 61.070 0.1 . 1 . . . . 49 VAL CA . 16047 1 506 . 1 1 49 49 VAL CB C 13 32.064 0.1 . 1 . . . . 49 VAL CB . 16047 1 507 . 1 1 49 49 VAL CG1 C 13 21.429 0.1 . 2 . . . . 49 VAL CG1 . 16047 1 508 . 1 1 49 49 VAL CG2 C 13 21.867 0.1 . 2 . . . . 49 VAL CG2 . 16047 1 509 . 1 1 49 49 VAL N N 15 125.744 0.1 . 1 . . . . 49 VAL N . 16047 1 510 . 1 1 50 50 VAL H H 1 8.493 0.01 . 1 . . . . 50 VAL H . 16047 1 511 . 1 1 50 50 VAL HA H 1 4.562 0.01 . 1 . . . . 50 VAL HA . 16047 1 512 . 1 1 50 50 VAL HB H 1 1.710 0.01 . 1 . . . . 50 VAL HB . 16047 1 513 . 1 1 50 50 VAL HG11 H 1 0.648 0.01 . 2 . . . . 50 VAL HG1 . 16047 1 514 . 1 1 50 50 VAL HG12 H 1 0.648 0.01 . 2 . . . . 50 VAL HG1 . 16047 1 515 . 1 1 50 50 VAL HG13 H 1 0.648 0.01 . 2 . . . . 50 VAL HG1 . 16047 1 516 . 1 1 50 50 VAL HG21 H 1 0.517 0.01 . 2 . . . . 50 VAL HG2 . 16047 1 517 . 1 1 50 50 VAL HG22 H 1 0.517 0.01 . 2 . . . . 50 VAL HG2 . 16047 1 518 . 1 1 50 50 VAL HG23 H 1 0.517 0.01 . 2 . . . . 50 VAL HG2 . 16047 1 519 . 1 1 50 50 VAL CA C 13 60.219 0.1 . 1 . . . . 50 VAL CA . 16047 1 520 . 1 1 50 50 VAL CB C 13 33.890 0.1 . 1 . . . . 50 VAL CB . 16047 1 521 . 1 1 50 50 VAL CG1 C 13 21.165 0.1 . 2 . . . . 50 VAL CG1 . 16047 1 522 . 1 1 50 50 VAL CG2 C 13 20.800 0.1 . 2 . . . . 50 VAL CG2 . 16047 1 523 . 1 1 50 50 VAL N N 15 125.735 0.1 . 1 . . . . 50 VAL N . 16047 1 524 . 1 1 51 51 ILE H H 1 8.561 0.01 . 1 . . . . 51 ILE H . 16047 1 525 . 1 1 51 51 ILE HA H 1 4.767 0.01 . 1 . . . . 51 ILE HA . 16047 1 526 . 1 1 51 51 ILE HB H 1 1.711 0.01 . 1 . . . . 51 ILE HB . 16047 1 527 . 1 1 51 51 ILE HD11 H 1 0.715 0.01 . 1 . . . . 51 ILE HD1 . 16047 1 528 . 1 1 51 51 ILE HD12 H 1 0.715 0.01 . 1 . . . . 51 ILE HD1 . 16047 1 529 . 1 1 51 51 ILE HD13 H 1 0.715 0.01 . 1 . . . . 51 ILE HD1 . 16047 1 530 . 1 1 51 51 ILE HG12 H 1 0.934 0.01 . 2 . . . . 51 ILE HG12 . 16047 1 531 . 1 1 51 51 ILE HG13 H 1 0.529 0.01 . 2 . . . . 51 ILE HG13 . 16047 1 532 . 1 1 51 51 ILE HG21 H 1 0.528 0.01 . 1 . . . . 51 ILE HG2 . 16047 1 533 . 1 1 51 51 ILE HG22 H 1 0.528 0.01 . 1 . . . . 51 ILE HG2 . 16047 1 534 . 1 1 51 51 ILE HG23 H 1 0.528 0.01 . 1 . . . . 51 ILE HG2 . 16047 1 535 . 1 1 51 51 ILE CA C 13 61.430 0.1 . 1 . . . . 51 ILE CA . 16047 1 536 . 1 1 51 51 ILE CB C 13 39.217 0.1 . 1 . . . . 51 ILE CB . 16047 1 537 . 1 1 51 51 ILE CD1 C 13 12.276 0.1 . 1 . . . . 51 ILE CD1 . 16047 1 538 . 1 1 51 51 ILE CG1 C 13 26.946 0.1 . 1 . . . . 51 ILE CG1 . 16047 1 539 . 1 1 51 51 ILE CG2 C 13 16.034 0.1 . 1 . . . . 51 ILE CG2 . 16047 1 540 . 1 1 51 51 ILE N N 15 123.398 0.1 . 1 . . . . 51 ILE N . 16047 1 541 . 1 1 52 52 ARG H H 1 9.380 0.01 . 1 . . . . 52 ARG H . 16047 1 542 . 1 1 52 52 ARG HA H 1 5.053 0.01 . 1 . . . . 52 ARG HA . 16047 1 543 . 1 1 52 52 ARG HB2 H 1 1.743 0.01 . 2 . . . . 52 ARG HB2 . 16047 1 544 . 1 1 52 52 ARG HB3 H 1 1.622 0.01 . 2 . . . . 52 ARG HB3 . 16047 1 545 . 1 1 52 52 ARG HD2 H 1 3.050 0.01 . 2 . . . . 52 ARG HD2 . 16047 1 546 . 1 1 52 52 ARG HD3 H 1 3.050 0.01 . 2 . . . . 52 ARG HD3 . 16047 1 547 . 1 1 52 52 ARG HE H 1 7.210 0.01 . 1 . . . . 52 ARG HE . 16047 1 548 . 1 1 52 52 ARG HG2 H 1 1.642 0.01 . 2 . . . . 52 ARG HG2 . 16047 1 549 . 1 1 52 52 ARG HG3 H 1 1.394 0.01 . 2 . . . . 52 ARG HG3 . 16047 1 550 . 1 1 52 52 ARG CA C 13 54.935 0.1 . 1 . . . . 52 ARG CA . 16047 1 551 . 1 1 52 52 ARG CB C 13 32.708 0.1 . 1 . . . . 52 ARG CB . 16047 1 552 . 1 1 52 52 ARG CD C 13 43.628 0.1 . 1 . . . . 52 ARG CD . 16047 1 553 . 1 1 52 52 ARG CG C 13 28.572 0.1 . 1 . . . . 52 ARG CG . 16047 1 554 . 1 1 52 52 ARG N N 15 133.239 0.1 . 1 . . . . 52 ARG N . 16047 1 555 . 1 1 52 52 ARG NE N 15 86.132 0.1 . 1 . . . . 52 ARG NE . 16047 1 556 . 1 1 53 53 THR H H 1 8.941 0.01 . 1 . . . . 53 THR H . 16047 1 557 . 1 1 53 53 THR HA H 1 5.067 0.01 . 1 . . . . 53 THR HA . 16047 1 558 . 1 1 53 53 THR HB H 1 4.273 0.01 . 1 . . . . 53 THR HB . 16047 1 559 . 1 1 53 53 THR HG21 H 1 1.020 0.01 . . . . . . 53 THR HG2 . 16047 1 560 . 1 1 53 53 THR HG22 H 1 1.020 0.01 . . . . . . 53 THR HG2 . 16047 1 561 . 1 1 53 53 THR HG23 H 1 1.020 0.01 . . . . . . 53 THR HG2 . 16047 1 562 . 1 1 53 53 THR CA C 13 62.155 0.1 . 1 . . . . 53 THR CA . 16047 1 563 . 1 1 53 53 THR CB C 13 69.023 0.1 . 1 . . . . 53 THR CB . 16047 1 564 . 1 1 53 53 THR CG2 C 13 21.615 0.1 . 1 . . . . 53 THR CG2 . 16047 1 565 . 1 1 53 53 THR N N 15 122.177 0.1 . 1 . . . . 53 THR N . 16047 1 566 . 1 1 54 54 LEU H H 1 9.617 0.01 . 1 . . . . 54 LEU H . 16047 1 567 . 1 1 54 54 LEU HA H 1 5.359 0.01 . 1 . . . . 54 LEU HA . 16047 1 568 . 1 1 54 54 LEU HB2 H 1 1.660 0.01 . 2 . . . . 54 LEU HB2 . 16047 1 569 . 1 1 54 54 LEU HB3 H 1 1.457 0.01 . 2 . . . . 54 LEU HB3 . 16047 1 570 . 1 1 54 54 LEU HD11 H 1 0.712 0.01 . 2 . . . . 54 LEU HD1 . 16047 1 571 . 1 1 54 54 LEU HD12 H 1 0.712 0.01 . 2 . . . . 54 LEU HD1 . 16047 1 572 . 1 1 54 54 LEU HD13 H 1 0.712 0.01 . 2 . . . . 54 LEU HD1 . 16047 1 573 . 1 1 54 54 LEU HD21 H 1 0.749 0.01 . 2 . . . . 54 LEU HD2 . 16047 1 574 . 1 1 54 54 LEU HD22 H 1 0.749 0.01 . 2 . . . . 54 LEU HD2 . 16047 1 575 . 1 1 54 54 LEU HD23 H 1 0.749 0.01 . 2 . . . . 54 LEU HD2 . 16047 1 576 . 1 1 54 54 LEU HG H 1 1.460 0.01 . 1 . . . . 54 LEU HG . 16047 1 577 . 1 1 54 54 LEU CA C 13 53.327 0.1 . 1 . . . . 54 LEU CA . 16047 1 578 . 1 1 54 54 LEU CB C 13 43.667 0.1 . 1 . . . . 54 LEU CB . 16047 1 579 . 1 1 54 54 LEU CD1 C 13 23.606 0.1 . 2 . . . . 54 LEU CD1 . 16047 1 580 . 1 1 54 54 LEU CD2 C 13 25.632 0.1 . 2 . . . . 54 LEU CD2 . 16047 1 581 . 1 1 54 54 LEU CG C 13 27.439 0.1 . 1 . . . . 54 LEU CG . 16047 1 582 . 1 1 54 54 LEU N N 15 127.365 0.1 . 1 . . . . 54 LEU N . 16047 1 583 . 1 1 55 55 SER H H 1 8.469 0.01 . 1 . . . . 55 SER H . 16047 1 584 . 1 1 55 55 SER HA H 1 4.870 0.01 . 1 . . . . 55 SER HA . 16047 1 585 . 1 1 55 55 SER HB2 H 1 3.872 0.01 . 2 . . . . 55 SER HB2 . 16047 1 586 . 1 1 55 55 SER HB3 H 1 4.050 0.01 . 2 . . . . 55 SER HB3 . 16047 1 587 . 1 1 55 55 SER CA C 13 58.206 0.1 . 1 . . . . 55 SER CA . 16047 1 588 . 1 1 55 55 SER CB C 13 67.961 0.1 . 1 . . . . 55 SER CB . 16047 1 589 . 1 1 55 55 SER N N 15 115.937 0.1 . 1 . . . . 55 SER N . 16047 1 590 . 1 1 56 56 THR HA H 1 3.987 0.01 . 1 . . . . 56 THR HA . 16047 1 591 . 1 1 56 56 THR HB H 1 4.212 0.01 . 1 . . . . 56 THR HB . 16047 1 592 . 1 1 56 56 THR HG21 H 1 1.175 0.01 . . . . . . 56 THR HG2 . 16047 1 593 . 1 1 56 56 THR HG22 H 1 1.175 0.01 . . . . . . 56 THR HG2 . 16047 1 594 . 1 1 56 56 THR HG23 H 1 1.175 0.01 . . . . . . 56 THR HG2 . 16047 1 595 . 1 1 56 56 THR CA C 13 63.866 0.1 . 1 . . . . 56 THR CA . 16047 1 596 . 1 1 56 56 THR CB C 13 68.808 0.1 . 1 . . . . 56 THR CB . 16047 1 597 . 1 1 56 56 THR CG2 C 13 22.279 0.1 . 1 . . . . 56 THR CG2 . 16047 1 598 . 1 1 57 57 PHE H H 1 7.542 0.01 . 1 . . . . 57 PHE H . 16047 1 599 . 1 1 57 57 PHE HA H 1 4.610 0.01 . 1 . . . . 57 PHE HA . 16047 1 600 . 1 1 57 57 PHE HB2 H 1 2.680 0.01 . 2 . . . . 57 PHE HB2 . 16047 1 601 . 1 1 57 57 PHE HB3 H 1 3.109 0.01 . 2 . . . . 57 PHE HB3 . 16047 1 602 . 1 1 57 57 PHE CA C 13 58.336 0.1 . 1 . . . . 57 PHE CA . 16047 1 603 . 1 1 57 57 PHE CB C 13 40.766 0.1 . 1 . . . . 57 PHE CB . 16047 1 604 . 1 1 57 57 PHE N N 15 121.178 0.1 . 1 . . . . 57 PHE N . 16047 1 605 . 1 1 58 58 LYS H H 1 6.787 0.01 . 1 . . . . 58 LYS H . 16047 1 606 . 1 1 58 58 LYS HA H 1 4.107 0.01 . 1 . . . . 58 LYS HA . 16047 1 607 . 1 1 58 58 LYS HB2 H 1 1.187 0.01 . 2 . . . . 58 LYS HB2 . 16047 1 608 . 1 1 58 58 LYS HB3 H 1 1.323 0.01 . 2 . . . . 58 LYS HB3 . 16047 1 609 . 1 1 58 58 LYS HD2 H 1 1.440 0.01 . 2 . . . . 58 LYS HD2 . 16047 1 610 . 1 1 58 58 LYS HD3 H 1 1.440 0.01 . 2 . . . . 58 LYS HD3 . 16047 1 611 . 1 1 58 58 LYS HE2 H 1 2.610 0.01 . 2 . . . . 58 LYS HE2 . 16047 1 612 . 1 1 58 58 LYS HE3 H 1 2.610 0.01 . 2 . . . . 58 LYS HE3 . 16047 1 613 . 1 1 58 58 LYS HG2 H 1 0.880 0.01 . 2 . . . . 58 LYS HG2 . 16047 1 614 . 1 1 58 58 LYS HG3 H 1 0.703 0.01 . 2 . . . . 58 LYS HG3 . 16047 1 615 . 1 1 58 58 LYS CA C 13 55.688 0.1 . 1 . . . . 58 LYS CA . 16047 1 616 . 1 1 58 58 LYS CB C 13 36.376 0.1 . 1 . . . . 58 LYS CB . 16047 1 617 . 1 1 58 58 LYS CD C 13 29.374 0.1 . 1 . . . . 58 LYS CD . 16047 1 618 . 1 1 58 58 LYS CE C 13 41.616 0.1 . 1 . . . . 58 LYS CE . 16047 1 619 . 1 1 58 58 LYS CG C 13 24.317 0.1 . 1 . . . . 58 LYS CG . 16047 1 620 . 1 1 58 58 LYS N N 15 116.441 0.1 . 1 . . . . 58 LYS N . 16047 1 621 . 1 1 59 59 ASN H H 1 8.312 0.01 . 1 . . . . 59 ASN H . 16047 1 622 . 1 1 59 59 ASN HA H 1 5.905 0.01 . 1 . . . . 59 ASN HA . 16047 1 623 . 1 1 59 59 ASN HB2 H 1 2.574 0.01 . 2 . . . . 59 ASN HB2 . 16047 1 624 . 1 1 59 59 ASN HB3 H 1 2.815 0.01 . 2 . . . . 59 ASN HB3 . 16047 1 625 . 1 1 59 59 ASN HD21 H 1 7.376 0.01 . 2 . . . . 59 ASN HD21 . 16047 1 626 . 1 1 59 59 ASN HD22 H 1 6.436 0.01 . 2 . . . . 59 ASN HD22 . 16047 1 627 . 1 1 59 59 ASN CA C 13 51.240 0.1 . 1 . . . . 59 ASN CA . 16047 1 628 . 1 1 59 59 ASN CB C 13 40.229 0.1 . 1 . . . . 59 ASN CB . 16047 1 629 . 1 1 59 59 ASN N N 15 121.626 0.1 . 1 . . . . 59 ASN N . 16047 1 630 . 1 1 59 59 ASN ND2 N 15 111.661 0.1 . 1 . . . . 59 ASN ND2 . 16047 1 631 . 1 1 60 60 THR H H 1 9.424 0.01 . 1 . . . . 60 THR H . 16047 1 632 . 1 1 60 60 THR HA H 1 4.761 0.01 . 1 . . . . 60 THR HA . 16047 1 633 . 1 1 60 60 THR HB H 1 4.330 0.01 . 1 . . . . 60 THR HB . 16047 1 634 . 1 1 60 60 THR HG21 H 1 0.905 0.01 . . . . . . 60 THR HG2 . 16047 1 635 . 1 1 60 60 THR HG22 H 1 0.905 0.01 . . . . . . 60 THR HG2 . 16047 1 636 . 1 1 60 60 THR HG23 H 1 0.905 0.01 . . . . . . 60 THR HG2 . 16047 1 637 . 1 1 60 60 THR CA C 13 60.162 0.1 . 1 . . . . 60 THR CA . 16047 1 638 . 1 1 60 60 THR CB C 13 72.676 0.1 . 1 . . . . 60 THR CB . 16047 1 639 . 1 1 60 60 THR CG2 C 13 20.341 0.1 . 1 . . . . 60 THR CG2 . 16047 1 640 . 1 1 60 60 THR N N 15 112.771 0.1 . 1 . . . . 60 THR N . 16047 1 641 . 1 1 61 61 GLU H H 1 8.575 0.01 . 1 . . . . 61 GLU H . 16047 1 642 . 1 1 61 61 GLU HA H 1 5.032 0.01 . 1 . . . . 61 GLU HA . 16047 1 643 . 1 1 61 61 GLU HB2 H 1 1.821 0.01 . 2 . . . . 61 GLU HB2 . 16047 1 644 . 1 1 61 61 GLU HB3 H 1 1.972 0.01 . 2 . . . . 61 GLU HB3 . 16047 1 645 . 1 1 61 61 GLU HG2 H 1 1.814 0.01 . 2 . . . . 61 GLU HG2 . 16047 1 646 . 1 1 61 61 GLU HG3 H 1 1.809 0.01 . 2 . . . . 61 GLU HG3 . 16047 1 647 . 1 1 61 61 GLU CA C 13 56.452 0.1 . 1 . . . . 61 GLU CA . 16047 1 648 . 1 1 61 61 GLU CB C 13 33.246 0.1 . 1 . . . . 61 GLU CB . 16047 1 649 . 1 1 61 61 GLU CG C 13 37.018 0.1 . 1 . . . . 61 GLU CG . 16047 1 650 . 1 1 61 61 GLU N N 15 123.309 0.1 . 1 . . . . 61 GLU N . 16047 1 651 . 1 1 62 62 ILE H H 1 8.271 0.01 . 1 . . . . 62 ILE H . 16047 1 652 . 1 1 62 62 ILE HA H 1 4.786 0.01 . 1 . . . . 62 ILE HA . 16047 1 653 . 1 1 62 62 ILE HB H 1 1.778 0.01 . 1 . . . . 62 ILE HB . 16047 1 654 . 1 1 62 62 ILE HD11 H 1 0.839 0.01 . 1 . . . . 62 ILE HD1 . 16047 1 655 . 1 1 62 62 ILE HD12 H 1 0.839 0.01 . 1 . . . . 62 ILE HD1 . 16047 1 656 . 1 1 62 62 ILE HD13 H 1 0.839 0.01 . 1 . . . . 62 ILE HD1 . 16047 1 657 . 1 1 62 62 ILE HG12 H 1 1.588 0.01 . 2 . . . . 62 ILE HG12 . 16047 1 658 . 1 1 62 62 ILE HG13 H 1 1.588 0.01 . 2 . . . . 62 ILE HG13 . 16047 1 659 . 1 1 62 62 ILE HG21 H 1 1.177 0.01 . 1 . . . . 62 ILE HG2 . 16047 1 660 . 1 1 62 62 ILE HG22 H 1 1.177 0.01 . 1 . . . . 62 ILE HG2 . 16047 1 661 . 1 1 62 62 ILE HG23 H 1 1.177 0.01 . 1 . . . . 62 ILE HG2 . 16047 1 662 . 1 1 62 62 ILE CA C 13 59.767 0.1 . 1 . . . . 62 ILE CA . 16047 1 663 . 1 1 62 62 ILE CB C 13 42.429 0.1 . 1 . . . . 62 ILE CB . 16047 1 664 . 1 1 62 62 ILE CD1 C 13 14.185 0.1 . 1 . . . . 62 ILE CD1 . 16047 1 665 . 1 1 62 62 ILE CG1 C 13 25.855 0.1 . 1 . . . . 62 ILE CG1 . 16047 1 666 . 1 1 62 62 ILE CG2 C 13 19.393 0.1 . 1 . . . . 62 ILE CG2 . 16047 1 667 . 1 1 62 62 ILE N N 15 119.938 0.1 . 1 . . . . 62 ILE N . 16047 1 668 . 1 1 63 63 SER H H 1 8.011 0.01 . 1 . . . . 63 SER H . 16047 1 669 . 1 1 63 63 SER HA H 1 5.182 0.01 . 1 . . . . 63 SER HA . 16047 1 670 . 1 1 63 63 SER HB2 H 1 3.380 0.01 . 2 . . . . 63 SER HB2 . 16047 1 671 . 1 1 63 63 SER HB3 H 1 3.490 0.01 . 2 . . . . 63 SER HB3 . 16047 1 672 . 1 1 63 63 SER CA C 13 56.064 0.1 . 1 . . . . 63 SER CA . 16047 1 673 . 1 1 63 63 SER CB C 13 65.263 0.1 . 1 . . . . 63 SER CB . 16047 1 674 . 1 1 63 63 SER N N 15 116.056 0.1 . 1 . . . . 63 SER N . 16047 1 675 . 1 1 64 64 PHE H H 1 8.001 0.01 . 1 . . . . 64 PHE H . 16047 1 676 . 1 1 64 64 PHE HA H 1 4.600 0.01 . 1 . . . . 64 PHE HA . 16047 1 677 . 1 1 64 64 PHE HB2 H 1 2.680 0.01 . 2 . . . . 64 PHE HB2 . 16047 1 678 . 1 1 64 64 PHE HB3 H 1 1.631 0.01 . 2 . . . . 64 PHE HB3 . 16047 1 679 . 1 1 64 64 PHE CA C 13 55.578 0.1 . 1 . . . . 64 PHE CA . 16047 1 680 . 1 1 64 64 PHE CB C 13 40.015 0.1 . 1 . . . . 64 PHE CB . 16047 1 681 . 1 1 64 64 PHE N N 15 120.249 0.1 . 1 . . . . 64 PHE N . 16047 1 682 . 1 1 65 65 GLN H H 1 8.755 0.01 . 1 . . . . 65 GLN H . 16047 1 683 . 1 1 65 65 GLN HA H 1 4.711 0.01 . 1 . . . . 65 GLN HA . 16047 1 684 . 1 1 65 65 GLN HB2 H 1 1.801 0.01 . 2 . . . . 65 GLN HB2 . 16047 1 685 . 1 1 65 65 GLN HB3 H 1 1.992 0.01 . 2 . . . . 65 GLN HB3 . 16047 1 686 . 1 1 65 65 GLN HE21 H 1 7.551 0.01 . 2 . . . . 65 GLN HE21 . 16047 1 687 . 1 1 65 65 GLN HE22 H 1 6.787 0.01 . 2 . . . . 65 GLN HE22 . 16047 1 688 . 1 1 65 65 GLN HG2 H 1 2.303 0.01 . 2 . . . . 65 GLN HG2 . 16047 1 689 . 1 1 65 65 GLN HG3 H 1 2.251 0.01 . 2 . . . . 65 GLN HG3 . 16047 1 690 . 1 1 65 65 GLN CA C 13 53.971 0.1 . 1 . . . . 65 GLN CA . 16047 1 691 . 1 1 65 65 GLN CB C 13 30.611 0.1 . 1 . . . . 65 GLN CB . 16047 1 692 . 1 1 65 65 GLN CG C 13 34.787 0.1 . 1 . . . . 65 GLN CG . 16047 1 693 . 1 1 65 65 GLN N N 15 118.323 0.1 . 1 . . . . 65 GLN N . 16047 1 694 . 1 1 65 65 GLN NE2 N 15 112.262 0.1 . 1 . . . . 65 GLN NE2 . 16047 1 695 . 1 1 66 66 LEU H H 1 9.126 0.01 . 1 . . . . 66 LEU H . 16047 1 696 . 1 1 66 66 LEU HA H 1 4.380 0.01 . 1 . . . . 66 LEU HA . 16047 1 697 . 1 1 66 66 LEU HB2 H 1 1.551 0.01 . 2 . . . . 66 LEU HB2 . 16047 1 698 . 1 1 66 66 LEU HB3 H 1 1.756 0.01 . 2 . . . . 66 LEU HB3 . 16047 1 699 . 1 1 66 66 LEU HD11 H 1 0.867 0.01 . 2 . . . . 66 LEU HD1 . 16047 1 700 . 1 1 66 66 LEU HD12 H 1 0.867 0.01 . 2 . . . . 66 LEU HD1 . 16047 1 701 . 1 1 66 66 LEU HD13 H 1 0.867 0.01 . 2 . . . . 66 LEU HD1 . 16047 1 702 . 1 1 66 66 LEU HD21 H 1 0.702 0.01 . 2 . . . . 66 LEU HD2 . 16047 1 703 . 1 1 66 66 LEU HD22 H 1 0.702 0.01 . 2 . . . . 66 LEU HD2 . 16047 1 704 . 1 1 66 66 LEU HD23 H 1 0.702 0.01 . 2 . . . . 66 LEU HD2 . 16047 1 705 . 1 1 66 66 LEU HG H 1 1.735 0.01 . 1 . . . . 66 LEU HG . 16047 1 706 . 1 1 66 66 LEU CA C 13 56.561 0.1 . 1 . . . . 66 LEU CA . 16047 1 707 . 1 1 66 66 LEU CB C 13 40.788 0.1 . 1 . . . . 66 LEU CB . 16047 1 708 . 1 1 66 66 LEU CD1 C 13 26.144 0.1 . 2 . . . . 66 LEU CD1 . 16047 1 709 . 1 1 66 66 LEU CD2 C 13 23.742 0.1 . 2 . . . . 66 LEU CD2 . 16047 1 710 . 1 1 66 66 LEU CG C 13 27.213 0.1 . 1 . . . . 66 LEU CG . 16047 1 711 . 1 1 66 66 LEU N N 15 127.263 0.1 . 1 . . . . 66 LEU N . 16047 1 712 . 1 1 67 67 GLY H H 1 9.421 0.01 . 1 . . . . 67 GLY H . 16047 1 713 . 1 1 67 67 GLY HA2 H 1 3.386 0.01 . 2 . . . . 67 GLY HA2 . 16047 1 714 . 1 1 67 67 GLY HA3 H 1 4.179 0.01 . 2 . . . . 67 GLY HA3 . 16047 1 715 . 1 1 67 67 GLY CA C 13 45.790 0.1 . 1 . . . . 67 GLY CA . 16047 1 716 . 1 1 67 67 GLY N N 15 110.687 0.1 . 1 . . . . 67 GLY N . 16047 1 717 . 1 1 68 68 GLU H H 1 7.664 0.01 . 1 . . . . 68 GLU H . 16047 1 718 . 1 1 68 68 GLU HA H 1 4.680 0.01 . 1 . . . . 68 GLU HA . 16047 1 719 . 1 1 68 68 GLU HB2 H 1 1.942 0.01 . 2 . . . . 68 GLU HB2 . 16047 1 720 . 1 1 68 68 GLU HB3 H 1 2.183 0.01 . 2 . . . . 68 GLU HB3 . 16047 1 721 . 1 1 68 68 GLU HG2 H 1 2.180 0.01 . 2 . . . . 68 GLU HG2 . 16047 1 722 . 1 1 68 68 GLU HG3 H 1 2.180 0.01 . 2 . . . . 68 GLU HG3 . 16047 1 723 . 1 1 68 68 GLU CA C 13 54.904 0.1 . 1 . . . . 68 GLU CA . 16047 1 724 . 1 1 68 68 GLU CB C 13 31.526 0.1 . 1 . . . . 68 GLU CB . 16047 1 725 . 1 1 68 68 GLU CG C 13 35.743 0.1 . 1 . . . . 68 GLU CG . 16047 1 726 . 1 1 68 68 GLU N N 15 121.126 0.1 . 1 . . . . 68 GLU N . 16047 1 727 . 1 1 69 69 GLU H H 1 8.871 0.01 . 1 . . . . 69 GLU H . 16047 1 728 . 1 1 69 69 GLU HA H 1 4.942 0.01 . 1 . . . . 69 GLU HA . 16047 1 729 . 1 1 69 69 GLU HB2 H 1 1.890 0.01 . 2 . . . . 69 GLU HB2 . 16047 1 730 . 1 1 69 69 GLU HB3 H 1 1.890 0.01 . 2 . . . . 69 GLU HB3 . 16047 1 731 . 1 1 69 69 GLU HG2 H 1 2.028 0.01 . 2 . . . . 69 GLU HG2 . 16047 1 732 . 1 1 69 69 GLU HG3 H 1 2.031 0.01 . 2 . . . . 69 GLU HG3 . 16047 1 733 . 1 1 69 69 GLU CA C 13 56.818 0.1 . 1 . . . . 69 GLU CA . 16047 1 734 . 1 1 69 69 GLU CB C 13 31.212 0.1 . 1 . . . . 69 GLU CB . 16047 1 735 . 1 1 69 69 GLU CG C 13 37.729 0.1 . 1 . . . . 69 GLU CG . 16047 1 736 . 1 1 69 69 GLU N N 15 131.211 0.1 . 1 . . . . 69 GLU N . 16047 1 737 . 1 1 70 70 PHE H H 1 9.339 0.01 . 1 . . . . 70 PHE H . 16047 1 738 . 1 1 70 70 PHE HA H 1 5.102 0.01 . 1 . . . . 70 PHE HA . 16047 1 739 . 1 1 70 70 PHE HB2 H 1 3.206 0.01 . 2 . . . . 70 PHE HB2 . 16047 1 740 . 1 1 70 70 PHE HB3 H 1 3.196 0.01 . 2 . . . . 70 PHE HB3 . 16047 1 741 . 1 1 70 70 PHE CA C 13 55.502 0.1 . 1 . . . . 70 PHE CA . 16047 1 742 . 1 1 70 70 PHE CB C 13 42.051 0.1 . 1 . . . . 70 PHE CB . 16047 1 743 . 1 1 70 70 PHE N N 15 124.097 0.1 . 1 . . . . 70 PHE N . 16047 1 744 . 1 1 71 71 ASP H H 1 8.415 0.01 . 1 . . . . 71 ASP H . 16047 1 745 . 1 1 71 71 ASP HA H 1 5.112 0.01 . 1 . . . . 71 ASP HA . 16047 1 746 . 1 1 71 71 ASP HB2 H 1 2.564 0.01 . 2 . . . . 71 ASP HB2 . 16047 1 747 . 1 1 71 71 ASP HB3 H 1 2.644 0.01 . 2 . . . . 71 ASP HB3 . 16047 1 748 . 1 1 71 71 ASP CA C 13 54.307 0.1 . 1 . . . . 71 ASP CA . 16047 1 749 . 1 1 71 71 ASP CB C 13 41.758 0.1 . 1 . . . . 71 ASP CB . 16047 1 750 . 1 1 71 71 ASP N N 15 120.549 0.1 . 1 . . . . 71 ASP N . 16047 1 751 . 1 1 72 72 GLU H H 1 8.614 0.01 . 1 . . . . 72 GLU H . 16047 1 752 . 1 1 72 72 GLU HA H 1 4.661 0.01 . 1 . . . . 72 GLU HA . 16047 1 753 . 1 1 72 72 GLU HB2 H 1 1.740 0.01 . 2 . . . . 72 GLU HB2 . 16047 1 754 . 1 1 72 72 GLU HB3 H 1 1.740 0.01 . 2 . . . . 72 GLU HB3 . 16047 1 755 . 1 1 72 72 GLU HG2 H 1 2.215 0.01 . 2 . . . . 72 GLU HG2 . 16047 1 756 . 1 1 72 72 GLU HG3 H 1 2.215 0.01 . 2 . . . . 72 GLU HG3 . 16047 1 757 . 1 1 72 72 GLU CA C 13 54.889 0.1 . 1 . . . . 72 GLU CA . 16047 1 758 . 1 1 72 72 GLU CB C 13 33.848 0.1 . 1 . . . . 72 GLU CB . 16047 1 759 . 1 1 72 72 GLU CG C 13 35.775 0.1 . 1 . . . . 72 GLU CG . 16047 1 760 . 1 1 72 72 GLU N N 15 126.550 0.1 . 1 . . . . 72 GLU N . 16047 1 761 . 1 1 73 73 THR H H 1 8.907 0.01 . 1 . . . . 73 THR H . 16047 1 762 . 1 1 73 73 THR HA H 1 5.333 0.01 . 1 . . . . 73 THR HA . 16047 1 763 . 1 1 73 73 THR HB H 1 3.918 0.01 . 1 . . . . 73 THR HB . 16047 1 764 . 1 1 73 73 THR HG21 H 1 1.126 0.01 . . . . . . 73 THR HG2 . 16047 1 765 . 1 1 73 73 THR HG22 H 1 1.126 0.01 . . . . . . 73 THR HG2 . 16047 1 766 . 1 1 73 73 THR HG23 H 1 1.126 0.01 . . . . . . 73 THR HG2 . 16047 1 767 . 1 1 73 73 THR CA C 13 61.644 0.1 . 1 . . . . 73 THR CA . 16047 1 768 . 1 1 73 73 THR CB C 13 69.325 0.1 . 1 . . . . 73 THR CB . 16047 1 769 . 1 1 73 73 THR CG2 C 13 21.613 0.1 . 1 . . . . 73 THR CG2 . 16047 1 770 . 1 1 73 73 THR N N 15 126.405 0.1 . 1 . . . . 73 THR N . 16047 1 771 . 1 1 74 74 THR H H 1 8.801 0.01 . 1 . . . . 74 THR H . 16047 1 772 . 1 1 74 74 THR HA H 1 4.340 0.01 . 1 . . . . 74 THR HA . 16047 1 773 . 1 1 74 74 THR HB H 1 4.249 0.01 . 1 . . . . 74 THR HB . 16047 1 774 . 1 1 74 74 THR HG1 H 1 5.960 0.01 . 1 . . . . 74 THR HG1 . 16047 1 775 . 1 1 74 74 THR HG21 H 1 0.887 0.01 . . . . . . 74 THR HG2 . 16047 1 776 . 1 1 74 74 THR HG22 H 1 0.887 0.01 . . . . . . 74 THR HG2 . 16047 1 777 . 1 1 74 74 THR HG23 H 1 0.887 0.01 . . . . . . 74 THR HG2 . 16047 1 778 . 1 1 74 74 THR CA C 13 61.932 0.1 . 1 . . . . 74 THR CA . 16047 1 779 . 1 1 74 74 THR CB C 13 71.172 0.1 . 1 . . . . 74 THR CB . 16047 1 780 . 1 1 74 74 THR CG2 C 13 23.771 0.1 . 1 . . . . 74 THR CG2 . 16047 1 781 . 1 1 74 74 THR N N 15 119.351 0.1 . 1 . . . . 74 THR N . 16047 1 782 . 1 1 75 75 ALA H H 1 9.442 0.01 . 1 . . . . 75 ALA H . 16047 1 783 . 1 1 75 75 ALA HA H 1 3.798 0.01 . 1 . . . . 75 ALA HA . 16047 1 784 . 1 1 75 75 ALA HB1 H 1 1.308 0.01 . 1 . . . . 75 ALA HB . 16047 1 785 . 1 1 75 75 ALA HB2 H 1 1.308 0.01 . 1 . . . . 75 ALA HB . 16047 1 786 . 1 1 75 75 ALA HB3 H 1 1.308 0.01 . 1 . . . . 75 ALA HB . 16047 1 787 . 1 1 75 75 ALA CA C 13 54.680 0.1 . 1 . . . . 75 ALA CA . 16047 1 788 . 1 1 75 75 ALA CB C 13 18.601 0.1 . 1 . . . . 75 ALA CB . 16047 1 789 . 1 1 75 75 ALA N N 15 123.009 0.1 . 1 . . . . 75 ALA N . 16047 1 790 . 1 1 76 76 ASP H H 1 9.062 0.01 . 1 . . . . 76 ASP H . 16047 1 791 . 1 1 76 76 ASP HA H 1 4.481 0.01 . 1 . . . . 76 ASP HA . 16047 1 792 . 1 1 76 76 ASP HB2 H 1 2.704 0.01 . 2 . . . . 76 ASP HB2 . 16047 1 793 . 1 1 76 76 ASP HB3 H 1 2.042 0.01 . 2 . . . . 76 ASP HB3 . 16047 1 794 . 1 1 76 76 ASP CA C 13 52.697 0.1 . 1 . . . . 76 ASP CA . 16047 1 795 . 1 1 76 76 ASP CB C 13 38.511 0.1 . 1 . . . . 76 ASP CB . 16047 1 796 . 1 1 76 76 ASP N N 15 110.779 0.1 . 1 . . . . 76 ASP N . 16047 1 797 . 1 1 77 77 ASP H H 1 7.889 0.01 . 1 . . . . 77 ASP H . 16047 1 798 . 1 1 77 77 ASP HA H 1 3.913 0.01 . 1 . . . . 77 ASP HA . 16047 1 799 . 1 1 77 77 ASP HB2 H 1 2.630 0.01 . 2 . . . . 77 ASP HB2 . 16047 1 800 . 1 1 77 77 ASP HB3 H 1 2.734 0.01 . 2 . . . . 77 ASP HB3 . 16047 1 801 . 1 1 77 77 ASP CA C 13 56.148 0.1 . 1 . . . . 77 ASP CA . 16047 1 802 . 1 1 77 77 ASP CB C 13 38.523 0.1 . 1 . . . . 77 ASP CB . 16047 1 803 . 1 1 77 77 ASP N N 15 115.610 0.1 . 1 . . . . 77 ASP N . 16047 1 804 . 1 1 78 78 ARG H H 1 7.304 0.01 . 1 . . . . 78 ARG H . 16047 1 805 . 1 1 78 78 ARG HA H 1 4.099 0.01 . 1 . . . . 78 ARG HA . 16047 1 806 . 1 1 78 78 ARG HB2 H 1 1.139 0.01 . 2 . . . . 78 ARG HB2 . 16047 1 807 . 1 1 78 78 ARG HB3 H 1 0.487 0.01 . 2 . . . . 78 ARG HB3 . 16047 1 808 . 1 1 78 78 ARG HD2 H 1 2.303 0.01 . 2 . . . . 78 ARG HD2 . 16047 1 809 . 1 1 78 78 ARG HD3 H 1 0.199 0.01 . 2 . . . . 78 ARG HD3 . 16047 1 810 . 1 1 78 78 ARG HG2 H 1 0.878 0.01 . 2 . . . . 78 ARG HG2 . 16047 1 811 . 1 1 78 78 ARG HG3 H 1 0.730 0.01 . 2 . . . . 78 ARG HG3 . 16047 1 812 . 1 1 78 78 ARG CA C 13 55.615 0.1 . 1 . . . . 78 ARG CA . 16047 1 813 . 1 1 78 78 ARG CB C 13 30.882 0.1 . 1 . . . . 78 ARG CB . 16047 1 814 . 1 1 78 78 ARG CD C 13 42.540 0.1 . 1 . . . . 78 ARG CD . 16047 1 815 . 1 1 78 78 ARG N N 15 117.149 0.1 . 1 . . . . 78 ARG N . 16047 1 816 . 1 1 79 79 ASN H H 1 8.599 0.01 . 1 . . . . 79 ASN H . 16047 1 817 . 1 1 79 79 ASN HA H 1 5.152 0.01 . 1 . . . . 79 ASN HA . 16047 1 818 . 1 1 79 79 ASN HB2 H 1 2.674 0.01 . 2 . . . . 79 ASN HB2 . 16047 1 819 . 1 1 79 79 ASN HB3 H 1 2.690 0.01 . 2 . . . . 79 ASN HB3 . 16047 1 820 . 1 1 79 79 ASN HD21 H 1 7.532 0.01 . 2 . . . . 79 ASN HD21 . 16047 1 821 . 1 1 79 79 ASN HD22 H 1 6.918 0.01 . 2 . . . . 79 ASN HD22 . 16047 1 822 . 1 1 79 79 ASN CA C 13 52.882 0.1 . 1 . . . . 79 ASN CA . 16047 1 823 . 1 1 79 79 ASN CB C 13 39.047 0.1 . 1 . . . . 79 ASN CB . 16047 1 824 . 1 1 79 79 ASN N N 15 122.518 0.1 . 1 . . . . 79 ASN N . 16047 1 825 . 1 1 79 79 ASN ND2 N 15 113.954 0.1 . 1 . . . . 79 ASN ND2 . 16047 1 826 . 1 1 80 80 CYS H H 1 9.114 0.01 . 1 . . . . 80 CYS H . 16047 1 827 . 1 1 80 80 CYS HA H 1 5.132 0.01 . 1 . . . . 80 CYS HA . 16047 1 828 . 1 1 80 80 CYS HB2 H 1 2.724 0.01 . 2 . . . . 80 CYS HB2 . 16047 1 829 . 1 1 80 80 CYS HB3 H 1 2.524 0.01 . 2 . . . . 80 CYS HB3 . 16047 1 830 . 1 1 80 80 CYS CA C 13 57.311 0.1 . 1 . . . . 80 CYS CA . 16047 1 831 . 1 1 80 80 CYS CB C 13 31.634 0.1 . 1 . . . . 80 CYS CB . 16047 1 832 . 1 1 80 80 CYS N N 15 121.346 0.1 . 1 . . . . 80 CYS N . 16047 1 833 . 1 1 81 81 LYS H H 1 8.935 0.01 . 1 . . . . 81 LYS H . 16047 1 834 . 1 1 81 81 LYS HA H 1 4.811 0.01 . 1 . . . . 81 LYS HA . 16047 1 835 . 1 1 81 81 LYS HB2 H 1 1.512 0.01 . 2 . . . . 81 LYS HB2 . 16047 1 836 . 1 1 81 81 LYS HB3 H 1 1.760 0.01 . 2 . . . . 81 LYS HB3 . 16047 1 837 . 1 1 81 81 LYS HD2 H 1 1.530 0.01 . 2 . . . . 81 LYS HD2 . 16047 1 838 . 1 1 81 81 LYS HD3 H 1 1.530 0.01 . 2 . . . . 81 LYS HD3 . 16047 1 839 . 1 1 81 81 LYS HE2 H 1 2.827 0.01 . 2 . . . . 81 LYS HE2 . 16047 1 840 . 1 1 81 81 LYS HE3 H 1 2.841 0.01 . 2 . . . . 81 LYS HE3 . 16047 1 841 . 1 1 81 81 LYS HG2 H 1 1.402 0.01 . 2 . . . . 81 LYS HG2 . 16047 1 842 . 1 1 81 81 LYS HG3 H 1 1.330 0.01 . 2 . . . . 81 LYS HG3 . 16047 1 843 . 1 1 81 81 LYS CA C 13 54.680 0.1 . 1 . . . . 81 LYS CA . 16047 1 844 . 1 1 81 81 LYS CB C 13 33.298 0.1 . 1 . . . . 81 LYS CB . 16047 1 845 . 1 1 81 81 LYS CD C 13 28.435 0.1 . 1 . . . . 81 LYS CD . 16047 1 846 . 1 1 81 81 LYS CE C 13 42.073 0.1 . 1 . . . . 81 LYS CE . 16047 1 847 . 1 1 81 81 LYS CG C 13 24.222 0.1 . 1 . . . . 81 LYS CG . 16047 1 848 . 1 1 81 81 LYS N N 15 123.997 0.1 . 1 . . . . 81 LYS N . 16047 1 849 . 1 1 82 82 SER H H 1 8.963 0.01 . 1 . . . . 82 SER H . 16047 1 850 . 1 1 82 82 SER HA H 1 5.684 0.01 . 1 . . . . 82 SER HA . 16047 1 851 . 1 1 82 82 SER HB2 H 1 2.012 0.01 . 2 . . . . 82 SER HB2 . 16047 1 852 . 1 1 82 82 SER HB3 H 1 3.106 0.01 . 2 . . . . 82 SER HB3 . 16047 1 853 . 1 1 82 82 SER CA C 13 56.721 0.1 . 1 . . . . 82 SER CA . 16047 1 854 . 1 1 82 82 SER CB C 13 67.519 0.1 . 1 . . . . 82 SER CB . 16047 1 855 . 1 1 82 82 SER N N 15 125.003 0.1 . 1 . . . . 82 SER N . 16047 1 856 . 1 1 83 83 VAL H H 1 8.125 0.01 . 1 . . . . 83 VAL H . 16047 1 857 . 1 1 83 83 VAL HA H 1 4.070 0.01 . 1 . . . . 83 VAL HA . 16047 1 858 . 1 1 83 83 VAL HB H 1 1.800 0.01 . 1 . . . . 83 VAL HB . 16047 1 859 . 1 1 83 83 VAL HG11 H 1 0.694 0.01 . 2 . . . . 83 VAL HG1 . 16047 1 860 . 1 1 83 83 VAL HG12 H 1 0.694 0.01 . 2 . . . . 83 VAL HG1 . 16047 1 861 . 1 1 83 83 VAL HG13 H 1 0.694 0.01 . 2 . . . . 83 VAL HG1 . 16047 1 862 . 1 1 83 83 VAL HG21 H 1 0.720 0.01 . 2 . . . . 83 VAL HG2 . 16047 1 863 . 1 1 83 83 VAL HG22 H 1 0.720 0.01 . 2 . . . . 83 VAL HG2 . 16047 1 864 . 1 1 83 83 VAL HG23 H 1 0.720 0.01 . 2 . . . . 83 VAL HG2 . 16047 1 865 . 1 1 83 83 VAL CA C 13 61.693 0.1 . 1 . . . . 83 VAL CA . 16047 1 866 . 1 1 83 83 VAL CB C 13 35.457 0.1 . 1 . . . . 83 VAL CB . 16047 1 867 . 1 1 83 83 VAL CG1 C 13 20.321 0.1 . 2 . . . . 83 VAL CG1 . 16047 1 868 . 1 1 83 83 VAL CG2 C 13 21.112 0.1 . 2 . . . . 83 VAL CG2 . 16047 1 869 . 1 1 83 83 VAL N N 15 117.949 0.1 . 1 . . . . 83 VAL N . 16047 1 870 . 1 1 84 84 VAL H H 1 9.677 0.01 . 1 . . . . 84 VAL H . 16047 1 871 . 1 1 84 84 VAL HA H 1 5.182 0.01 . 1 . . . . 84 VAL HA . 16047 1 872 . 1 1 84 84 VAL HB H 1 0.940 0.01 . 1 . . . . 84 VAL HB . 16047 1 873 . 1 1 84 84 VAL HG11 H 1 -0.477 0.01 . 2 . . . . 84 VAL HG1 . 16047 1 874 . 1 1 84 84 VAL HG12 H 1 -0.477 0.01 . 2 . . . . 84 VAL HG1 . 16047 1 875 . 1 1 84 84 VAL HG13 H 1 -0.477 0.01 . 2 . . . . 84 VAL HG1 . 16047 1 876 . 1 1 84 84 VAL HG21 H 1 0.368 0.01 . 2 . . . . 84 VAL HG2 . 16047 1 877 . 1 1 84 84 VAL HG22 H 1 0.368 0.01 . 2 . . . . 84 VAL HG2 . 16047 1 878 . 1 1 84 84 VAL HG23 H 1 0.368 0.01 . 2 . . . . 84 VAL HG2 . 16047 1 879 . 1 1 84 84 VAL CA C 13 59.923 0.1 . 1 . . . . 84 VAL CA . 16047 1 880 . 1 1 84 84 VAL CB C 13 32.171 0.1 . 1 . . . . 84 VAL CB . 16047 1 881 . 1 1 84 84 VAL CG1 C 13 18.826 0.1 . 2 . . . . 84 VAL CG1 . 16047 1 882 . 1 1 84 84 VAL CG2 C 13 21.734 0.1 . 2 . . . . 84 VAL CG2 . 16047 1 883 . 1 1 84 84 VAL N N 15 131.407 0.1 . 1 . . . . 84 VAL N . 16047 1 884 . 1 1 85 85 SER H H 1 9.053 0.01 . 1 . . . . 85 SER H . 16047 1 885 . 1 1 85 85 SER HA H 1 4.671 0.01 . 1 . . . . 85 SER HA . 16047 1 886 . 1 1 85 85 SER HB2 H 1 3.597 0.01 . 2 . . . . 85 SER HB2 . 16047 1 887 . 1 1 85 85 SER HB3 H 1 3.620 0.01 . 2 . . . . 85 SER HB3 . 16047 1 888 . 1 1 85 85 SER CA C 13 56.721 0.1 . 1 . . . . 85 SER CA . 16047 1 889 . 1 1 85 85 SER CB C 13 66.015 0.1 . 1 . . . . 85 SER CB . 16047 1 890 . 1 1 85 85 SER N N 15 121.246 0.1 . 1 . . . . 85 SER N . 16047 1 891 . 1 1 86 86 LEU H H 1 8.691 0.01 . 1 . . . . 86 LEU H . 16047 1 892 . 1 1 86 86 LEU HA H 1 4.992 0.01 . 1 . . . . 86 LEU HA . 16047 1 893 . 1 1 86 86 LEU HB2 H 1 1.327 0.01 . 2 . . . . 86 LEU HB2 . 16047 1 894 . 1 1 86 86 LEU HB3 H 1 1.671 0.01 . 2 . . . . 86 LEU HB3 . 16047 1 895 . 1 1 86 86 LEU HD11 H 1 0.749 0.01 . 2 . . . . 86 LEU HD1 . 16047 1 896 . 1 1 86 86 LEU HD12 H 1 0.749 0.01 . 2 . . . . 86 LEU HD1 . 16047 1 897 . 1 1 86 86 LEU HD13 H 1 0.749 0.01 . 2 . . . . 86 LEU HD1 . 16047 1 898 . 1 1 86 86 LEU HD21 H 1 0.749 0.01 . 2 . . . . 86 LEU HD2 . 16047 1 899 . 1 1 86 86 LEU HD22 H 1 0.749 0.01 . 2 . . . . 86 LEU HD2 . 16047 1 900 . 1 1 86 86 LEU HD23 H 1 0.749 0.01 . 2 . . . . 86 LEU HD2 . 16047 1 901 . 1 1 86 86 LEU HG H 1 1.424 0.01 . 1 . . . . 86 LEU HG . 16047 1 902 . 1 1 86 86 LEU CA C 13 54.015 0.1 . 1 . . . . 86 LEU CA . 16047 1 903 . 1 1 86 86 LEU CB C 13 43.638 0.1 . 1 . . . . 86 LEU CB . 16047 1 904 . 1 1 86 86 LEU CD1 C 13 25.125 0.1 . 2 . . . . 86 LEU CD1 . 16047 1 905 . 1 1 86 86 LEU CD2 C 13 25.325 0.1 . 2 . . . . 86 LEU CD2 . 16047 1 906 . 1 1 86 86 LEU CG C 13 27.279 0.1 . 1 . . . . 86 LEU CG . 16047 1 907 . 1 1 86 86 LEU N N 15 123.512 0.1 . 1 . . . . 86 LEU N . 16047 1 908 . 1 1 87 87 ASP H H 1 8.938 0.01 . 1 . . . . 87 ASP H . 16047 1 909 . 1 1 87 87 ASP HA H 1 4.721 0.01 . 1 . . . . 87 ASP HA . 16047 1 910 . 1 1 87 87 ASP HB2 H 1 2.323 0.01 . 2 . . . . 87 ASP HB2 . 16047 1 911 . 1 1 87 87 ASP HB3 H 1 2.594 0.01 . 2 . . . . 87 ASP HB3 . 16047 1 912 . 1 1 87 87 ASP CA C 13 52.406 0.1 . 1 . . . . 87 ASP CA . 16047 1 913 . 1 1 87 87 ASP CB C 13 41.518 0.1 . 1 . . . . 87 ASP CB . 16047 1 914 . 1 1 87 87 ASP N N 15 127.374 0.1 . 1 . . . . 87 ASP N . 16047 1 915 . 1 1 88 88 GLY H H 1 8.691 0.01 . 1 . . . . 88 GLY H . 16047 1 916 . 1 1 88 88 GLY HA2 H 1 3.517 0.01 . 2 . . . . 88 GLY HA2 . 16047 1 917 . 1 1 88 88 GLY HA3 H 1 3.958 0.01 . 2 . . . . 88 GLY HA3 . 16047 1 918 . 1 1 88 88 GLY CA C 13 47.671 0.1 . 1 . . . . 88 GLY CA . 16047 1 919 . 1 1 88 88 GLY N N 15 115.593 0.1 . 1 . . . . 88 GLY N . 16047 1 920 . 1 1 89 89 ASP H H 1 8.561 0.01 . 1 . . . . 89 ASP H . 16047 1 921 . 1 1 89 89 ASP HA H 1 4.671 0.01 . 1 . . . . 89 ASP HA . 16047 1 922 . 1 1 89 89 ASP HB2 H 1 2.734 0.01 . 2 . . . . 89 ASP HB2 . 16047 1 923 . 1 1 89 89 ASP HB3 H 1 2.744 0.01 . 2 . . . . 89 ASP HB3 . 16047 1 924 . 1 1 89 89 ASP CA C 13 53.739 0.1 . 1 . . . . 89 ASP CA . 16047 1 925 . 1 1 89 89 ASP CB C 13 40.874 0.1 . 1 . . . . 89 ASP CB . 16047 1 926 . 1 1 89 89 ASP N N 15 126.922 0.1 . 1 . . . . 89 ASP N . 16047 1 927 . 1 1 90 90 LYS H H 1 7.802 0.01 . 1 . . . . 90 LYS H . 16047 1 928 . 1 1 90 90 LYS HA H 1 4.861 0.01 . 1 . . . . 90 LYS HA . 16047 1 929 . 1 1 90 90 LYS HB2 H 1 1.910 0.01 . 2 . . . . 90 LYS HB2 . 16047 1 930 . 1 1 90 90 LYS HB3 H 1 1.520 0.01 . 2 . . . . 90 LYS HB3 . 16047 1 931 . 1 1 90 90 LYS HD2 H 1 1.530 0.01 . 2 . . . . 90 LYS HD2 . 16047 1 932 . 1 1 90 90 LYS HD3 H 1 1.530 0.01 . 2 . . . . 90 LYS HD3 . 16047 1 933 . 1 1 90 90 LYS HE2 H 1 2.872 0.01 . 2 . . . . 90 LYS HE2 . 16047 1 934 . 1 1 90 90 LYS HE3 H 1 2.872 0.01 . 2 . . . . 90 LYS HE3 . 16047 1 935 . 1 1 90 90 LYS HG2 H 1 1.268 0.01 . 2 . . . . 90 LYS HG2 . 16047 1 936 . 1 1 90 90 LYS HG3 H 1 1.268 0.01 . 2 . . . . 90 LYS HG3 . 16047 1 937 . 1 1 90 90 LYS CA C 13 55.431 0.1 . 1 . . . . 90 LYS CA . 16047 1 938 . 1 1 90 90 LYS CB C 13 34.427 0.1 . 1 . . . . 90 LYS CB . 16047 1 939 . 1 1 90 90 LYS CD C 13 29.379 0.1 . 1 . . . . 90 LYS CD . 16047 1 940 . 1 1 90 90 LYS CE C 13 42.058 0.1 . 1 . . . . 90 LYS CE . 16047 1 941 . 1 1 90 90 LYS CG C 13 24.924 0.1 . 1 . . . . 90 LYS CG . 16047 1 942 . 1 1 90 90 LYS N N 15 119.721 0.1 . 1 . . . . 90 LYS N . 16047 1 943 . 1 1 91 91 LEU H H 1 8.376 0.01 . 1 . . . . 91 LEU H . 16047 1 944 . 1 1 91 91 LEU HA H 1 4.801 0.01 . 1 . . . . 91 LEU HA . 16047 1 945 . 1 1 91 91 LEU HB2 H 1 0.987 0.01 . 2 . . . . 91 LEU HB2 . 16047 1 946 . 1 1 91 91 LEU HB3 H 1 0.559 0.01 . 2 . . . . 91 LEU HB3 . 16047 1 947 . 1 1 91 91 LEU HD11 H 1 0.287 0.01 . 2 . . . . 91 LEU HD1 . 16047 1 948 . 1 1 91 91 LEU HD12 H 1 0.287 0.01 . 2 . . . . 91 LEU HD1 . 16047 1 949 . 1 1 91 91 LEU HD13 H 1 0.287 0.01 . 2 . . . . 91 LEU HD1 . 16047 1 950 . 1 1 91 91 LEU HD21 H 1 0.166 0.01 . 2 . . . . 91 LEU HD2 . 16047 1 951 . 1 1 91 91 LEU HD22 H 1 0.166 0.01 . 2 . . . . 91 LEU HD2 . 16047 1 952 . 1 1 91 91 LEU HD23 H 1 0.166 0.01 . 2 . . . . 91 LEU HD2 . 16047 1 953 . 1 1 91 91 LEU HG H 1 0.829 0.01 . 1 . . . . 91 LEU HG . 16047 1 954 . 1 1 91 91 LEU CA C 13 53.555 0.1 . 1 . . . . 91 LEU CA . 16047 1 955 . 1 1 91 91 LEU CB C 13 44.106 0.1 . 1 . . . . 91 LEU CB . 16047 1 956 . 1 1 91 91 LEU CD1 C 13 24.446 0.1 . 2 . . . . 91 LEU CD1 . 16047 1 957 . 1 1 91 91 LEU CD2 C 13 24.272 0.1 . 2 . . . . 91 LEU CD2 . 16047 1 958 . 1 1 91 91 LEU CG C 13 26.228 0.1 . 1 . . . . 91 LEU CG . 16047 1 959 . 1 1 91 91 LEU N N 15 123.539 0.1 . 1 . . . . 91 LEU N . 16047 1 960 . 1 1 92 92 VAL H H 1 9.540 0.01 . 1 . . . . 92 VAL H . 16047 1 961 . 1 1 92 92 VAL HA H 1 4.498 0.01 . 1 . . . . 92 VAL HA . 16047 1 962 . 1 1 92 92 VAL HB H 1 1.992 0.01 . 1 . . . . 92 VAL HB . 16047 1 963 . 1 1 92 92 VAL HG11 H 1 0.783 0.01 . 2 . . . . 92 VAL HG1 . 16047 1 964 . 1 1 92 92 VAL HG12 H 1 0.783 0.01 . 2 . . . . 92 VAL HG1 . 16047 1 965 . 1 1 92 92 VAL HG13 H 1 0.783 0.01 . 2 . . . . 92 VAL HG1 . 16047 1 966 . 1 1 92 92 VAL HG21 H 1 0.874 0.01 . 2 . . . . 92 VAL HG2 . 16047 1 967 . 1 1 92 92 VAL HG22 H 1 0.874 0.01 . 2 . . . . 92 VAL HG2 . 16047 1 968 . 1 1 92 92 VAL HG23 H 1 0.874 0.01 . 2 . . . . 92 VAL HG2 . 16047 1 969 . 1 1 92 92 VAL CA C 13 62.862 0.1 . 1 . . . . 92 VAL CA . 16047 1 970 . 1 1 92 92 VAL CB C 13 33.353 0.1 . 1 . . . . 92 VAL CB . 16047 1 971 . 1 1 92 92 VAL CG1 C 13 20.644 0.1 . 2 . . . . 92 VAL CG1 . 16047 1 972 . 1 1 92 92 VAL CG2 C 13 21.395 0.1 . 2 . . . . 92 VAL CG2 . 16047 1 973 . 1 1 92 92 VAL N N 15 131.649 0.1 . 1 . . . . 92 VAL N . 16047 1 974 . 1 1 93 93 HIS H H 1 9.037 0.01 . 1 . . . . 93 HIS H . 16047 1 975 . 1 1 93 93 HIS HA H 1 5.383 0.01 . 1 . . . . 93 HIS HA . 16047 1 976 . 1 1 93 93 HIS HB2 H 1 2.724 0.01 . 2 . . . . 93 HIS HB2 . 16047 1 977 . 1 1 93 93 HIS HB3 H 1 3.386 0.01 . 2 . . . . 93 HIS HB3 . 16047 1 978 . 1 1 93 93 HIS CA C 13 52.544 0.1 . 1 . . . . 93 HIS CA . 16047 1 979 . 1 1 93 93 HIS CB C 13 36.791 0.1 . 1 . . . . 93 HIS CB . 16047 1 980 . 1 1 93 93 HIS N N 15 131.749 0.1 . 1 . . . . 93 HIS N . 16047 1 981 . 1 1 94 94 ILE H H 1 9.195 0.01 . 1 . . . . 94 ILE H . 16047 1 982 . 1 1 94 94 ILE HA H 1 4.470 0.01 . 1 . . . . 94 ILE HA . 16047 1 983 . 1 1 94 94 ILE HB H 1 1.655 0.01 . 1 . . . . 94 ILE HB . 16047 1 984 . 1 1 94 94 ILE HD11 H 1 0.691 0.01 . 1 . . . . 94 ILE HD1 . 16047 1 985 . 1 1 94 94 ILE HD12 H 1 0.691 0.01 . 1 . . . . 94 ILE HD1 . 16047 1 986 . 1 1 94 94 ILE HD13 H 1 0.691 0.01 . 1 . . . . 94 ILE HD1 . 16047 1 987 . 1 1 94 94 ILE HG12 H 1 1.444 0.01 . 2 . . . . 94 ILE HG12 . 16047 1 988 . 1 1 94 94 ILE HG13 H 1 0.917 0.01 . 2 . . . . 94 ILE HG13 . 16047 1 989 . 1 1 94 94 ILE HG21 H 1 0.812 0.01 . 1 . . . . 94 ILE HG2 . 16047 1 990 . 1 1 94 94 ILE HG22 H 1 0.812 0.01 . 1 . . . . 94 ILE HG2 . 16047 1 991 . 1 1 94 94 ILE HG23 H 1 0.812 0.01 . 1 . . . . 94 ILE HG2 . 16047 1 992 . 1 1 94 94 ILE CA C 13 60.589 0.1 . 1 . . . . 94 ILE CA . 16047 1 993 . 1 1 94 94 ILE CB C 13 40.373 0.1 . 1 . . . . 94 ILE CB . 16047 1 994 . 1 1 94 94 ILE CD1 C 13 13.385 0.1 . 1 . . . . 94 ILE CD1 . 16047 1 995 . 1 1 94 94 ILE CG1 C 13 28.194 0.1 . 1 . . . . 94 ILE CG1 . 16047 1 996 . 1 1 94 94 ILE CG2 C 13 17.678 0.1 . 1 . . . . 94 ILE CG2 . 16047 1 997 . 1 1 94 94 ILE N N 15 127.370 0.1 . 1 . . . . 94 ILE N . 16047 1 998 . 1 1 95 95 GLN H H 1 8.426 0.01 . 1 . . . . 95 GLN H . 16047 1 999 . 1 1 95 95 GLN HA H 1 4.911 0.01 . 1 . . . . 95 GLN HA . 16047 1 1000 . 1 1 95 95 GLN HB2 H 1 1.741 0.01 . 2 . . . . 95 GLN HB2 . 16047 1 1001 . 1 1 95 95 GLN HB3 H 1 1.770 0.01 . 2 . . . . 95 GLN HB3 . 16047 1 1002 . 1 1 95 95 GLN HE21 H 1 6.877 0.01 . 2 . . . . 95 GLN HE21 . 16047 1 1003 . 1 1 95 95 GLN HE22 H 1 6.248 0.01 . 2 . . . . 95 GLN HE22 . 16047 1 1004 . 1 1 95 95 GLN HG2 H 1 2.090 0.01 . 2 . . . . 95 GLN HG2 . 16047 1 1005 . 1 1 95 95 GLN HG3 H 1 2.090 0.01 . 2 . . . . 95 GLN HG3 . 16047 1 1006 . 1 1 95 95 GLN CA C 13 54.680 0.1 . 1 . . . . 95 GLN CA . 16047 1 1007 . 1 1 95 95 GLN CB C 13 32.708 0.1 . 1 . . . . 95 GLN CB . 16047 1 1008 . 1 1 95 95 GLN CG C 13 33.150 0.1 . 1 . . . . 95 GLN CG . 16047 1 1009 . 1 1 95 95 GLN N N 15 126.544 0.1 . 1 . . . . 95 GLN N . 16047 1 1010 . 1 1 95 95 GLN NE2 N 15 113.404 0.1 . 1 . . . . 95 GLN NE2 . 16047 1 1011 . 1 1 96 96 LYS H H 1 8.627 0.01 . 1 . . . . 96 LYS H . 16047 1 1012 . 1 1 96 96 LYS HA H 1 5.513 0.01 . 1 . . . . 96 LYS HA . 16047 1 1013 . 1 1 96 96 LYS HB2 H 1 1.900 0.01 . 2 . . . . 96 LYS HB2 . 16047 1 1014 . 1 1 96 96 LYS HB3 H 1 1.860 0.01 . 2 . . . . 96 LYS HB3 . 16047 1 1015 . 1 1 96 96 LYS HD2 H 1 1.560 0.01 . 2 . . . . 96 LYS HD2 . 16047 1 1016 . 1 1 96 96 LYS HD3 H 1 1.560 0.01 . 2 . . . . 96 LYS HD3 . 16047 1 1017 . 1 1 96 96 LYS HE2 H 1 2.750 0.01 . 2 . . . . 96 LYS HE2 . 16047 1 1018 . 1 1 96 96 LYS HE3 H 1 2.750 0.01 . 2 . . . . 96 LYS HE3 . 16047 1 1019 . 1 1 96 96 LYS HG2 H 1 1.289 0.01 . 2 . . . . 96 LYS HG2 . 16047 1 1020 . 1 1 96 96 LYS HG3 H 1 1.368 0.01 . 2 . . . . 96 LYS HG3 . 16047 1 1021 . 1 1 96 96 LYS CA C 13 55.670 0.1 . 1 . . . . 96 LYS CA . 16047 1 1022 . 1 1 96 96 LYS CB C 13 35.287 0.1 . 1 . . . . 96 LYS CB . 16047 1 1023 . 1 1 96 96 LYS CD C 13 29.539 0.1 . 1 . . . . 96 LYS CD . 16047 1 1024 . 1 1 96 96 LYS CE C 13 41.864 0.1 . 1 . . . . 96 LYS CE . 16047 1 1025 . 1 1 96 96 LYS CG C 13 25.775 0.1 . 1 . . . . 96 LYS CG . 16047 1 1026 . 1 1 96 96 LYS N N 15 121.572 0.1 . 1 . . . . 96 LYS N . 16047 1 1027 . 1 1 97 97 TRP H H 1 8.258 0.01 . 1 . . . . 97 TRP H . 16047 1 1028 . 1 1 97 97 TRP HA H 1 4.801 0.01 . 1 . . . . 97 TRP HA . 16047 1 1029 . 1 1 97 97 TRP HB2 H 1 3.060 0.01 . 2 . . . . 97 TRP HB2 . 16047 1 1030 . 1 1 97 97 TRP HB3 H 1 3.677 0.01 . 2 . . . . 97 TRP HB3 . 16047 1 1031 . 1 1 97 97 TRP HE1 H 1 10.160 0.01 . 1 . . . . 97 TRP HE1 . 16047 1 1032 . 1 1 97 97 TRP CA C 13 57.441 0.1 . 1 . . . . 97 TRP CA . 16047 1 1033 . 1 1 97 97 TRP CB C 13 32.923 0.1 . 1 . . . . 97 TRP CB . 16047 1 1034 . 1 1 97 97 TRP N N 15 128.649 0.1 . 1 . . . . 97 TRP N . 16047 1 1035 . 1 1 97 97 TRP NE1 N 15 129.849 0.1 . 1 . . . . 97 TRP NE1 . 16047 1 1036 . 1 1 98 98 ASP H H 1 9.125 0.01 . 1 . . . . 98 ASP H . 16047 1 1037 . 1 1 98 98 ASP HA H 1 4.119 0.01 . 1 . . . . 98 ASP HA . 16047 1 1038 . 1 1 98 98 ASP HB2 H 1 2.203 0.01 . 2 . . . . 98 ASP HB2 . 16047 1 1039 . 1 1 98 98 ASP HB3 H 1 2.664 0.01 . 2 . . . . 98 ASP HB3 . 16047 1 1040 . 1 1 98 98 ASP CA C 13 55.295 0.1 . 1 . . . . 98 ASP CA . 16047 1 1041 . 1 1 98 98 ASP CB C 13 41.196 0.1 . 1 . . . . 98 ASP CB . 16047 1 1042 . 1 1 98 98 ASP N N 15 122.749 0.1 . 1 . . . . 98 ASP N . 16047 1 1043 . 1 1 99 99 GLY H H 1 8.287 0.01 . 1 . . . . 99 GLY H . 16047 1 1044 . 1 1 99 99 GLY HA2 H 1 3.437 0.01 . 2 . . . . 99 GLY HA2 . 16047 1 1045 . 1 1 99 99 GLY HA3 H 1 3.838 0.01 . 2 . . . . 99 GLY HA3 . 16047 1 1046 . 1 1 99 99 GLY CA C 13 46.027 0.1 . 1 . . . . 99 GLY CA . 16047 1 1047 . 1 1 99 99 GLY N N 15 104.521 0.1 . 1 . . . . 99 GLY N . 16047 1 1048 . 1 1 100 100 LYS H H 1 8.304 0.01 . 1 . . . . 100 LYS H . 16047 1 1049 . 1 1 100 100 LYS HA H 1 4.229 0.01 . 1 . . . . 100 LYS HA . 16047 1 1050 . 1 1 100 100 LYS HB2 H 1 0.071 0.01 . 2 . . . . 100 LYS HB2 . 16047 1 1051 . 1 1 100 100 LYS HB3 H 1 0.951 0.01 . 2 . . . . 100 LYS HB3 . 16047 1 1052 . 1 1 100 100 LYS HD2 H 1 1.558 0.01 . 2 . . . . 100 LYS HD2 . 16047 1 1053 . 1 1 100 100 LYS HD3 H 1 1.540 0.01 . 2 . . . . 100 LYS HD3 . 16047 1 1054 . 1 1 100 100 LYS HE2 H 1 2.759 0.01 . 2 . . . . 100 LYS HE2 . 16047 1 1055 . 1 1 100 100 LYS HE3 H 1 2.676 0.01 . 2 . . . . 100 LYS HE3 . 16047 1 1056 . 1 1 100 100 LYS HG2 H 1 1.179 0.01 . 2 . . . . 100 LYS HG2 . 16047 1 1057 . 1 1 100 100 LYS HG3 H 1 1.210 0.01 . 2 . . . . 100 LYS HG3 . 16047 1 1058 . 1 1 100 100 LYS CA C 13 54.686 0.1 . 1 . . . . 100 LYS CA . 16047 1 1059 . 1 1 100 100 LYS CB C 13 34.456 0.1 . 1 . . . . 100 LYS CB . 16047 1 1060 . 1 1 100 100 LYS CD C 13 29.238 0.1 . 1 . . . . 100 LYS CD . 16047 1 1061 . 1 1 100 100 LYS CE C 13 42.282 0.1 . 1 . . . . 100 LYS CE . 16047 1 1062 . 1 1 100 100 LYS CG C 13 24.496 0.1 . 1 . . . . 100 LYS CG . 16047 1 1063 . 1 1 100 100 LYS N N 15 123.539 0.1 . 1 . . . . 100 LYS N . 16047 1 1064 . 1 1 101 101 GLU H H 1 8.018 0.01 . 1 . . . . 101 GLU H . 16047 1 1065 . 1 1 101 101 GLU HA H 1 5.640 0.01 . 1 . . . . 101 GLU HA . 16047 1 1066 . 1 1 101 101 GLU HB2 H 1 1.790 0.01 . 2 . . . . 101 GLU HB2 . 16047 1 1067 . 1 1 101 101 GLU HB3 H 1 1.790 0.01 . 2 . . . . 101 GLU HB3 . 16047 1 1068 . 1 1 101 101 GLU HG2 H 1 1.980 0.01 . 2 . . . . 101 GLU HG2 . 16047 1 1069 . 1 1 101 101 GLU HG3 H 1 1.980 0.01 . 2 . . . . 101 GLU HG3 . 16047 1 1070 . 1 1 101 101 GLU CA C 13 55.240 0.1 . 1 . . . . 101 GLU CA . 16047 1 1071 . 1 1 101 101 GLU CB C 13 34.212 0.1 . 1 . . . . 101 GLU CB . 16047 1 1072 . 1 1 101 101 GLU CG C 13 36.220 0.1 . 1 . . . . 101 GLU CG . 16047 1 1073 . 1 1 101 101 GLU N N 15 119.175 0.1 . 1 . . . . 101 GLU N . 16047 1 1074 . 1 1 102 102 THR H H 1 8.917 0.01 . 1 . . . . 102 THR H . 16047 1 1075 . 1 1 102 102 THR HA H 1 5.162 0.01 . 1 . . . . 102 THR HA . 16047 1 1076 . 1 1 102 102 THR HB H 1 4.370 0.01 . 1 . . . . 102 THR HB . 16047 1 1077 . 1 1 102 102 THR HG21 H 1 1.038 0.01 . . . . . . 102 THR HG2 . 16047 1 1078 . 1 1 102 102 THR HG22 H 1 1.038 0.01 . . . . . . 102 THR HG2 . 16047 1 1079 . 1 1 102 102 THR HG23 H 1 1.038 0.01 . . . . . . 102 THR HG2 . 16047 1 1080 . 1 1 102 102 THR CA C 13 59.541 0.1 . 1 . . . . 102 THR CA . 16047 1 1081 . 1 1 102 102 THR CB C 13 72.139 0.1 . 1 . . . . 102 THR CB . 16047 1 1082 . 1 1 102 102 THR CG2 C 13 20.183 0.1 . 1 . . . . 102 THR CG2 . 16047 1 1083 . 1 1 102 102 THR N N 15 118.084 0.1 . 1 . . . . 102 THR N . 16047 1 1084 . 1 1 103 103 ASN H H 1 7.898 0.01 . 1 . . . . 103 ASN H . 16047 1 1085 . 1 1 103 103 ASN HA H 1 5.533 0.01 . 1 . . . . 103 ASN HA . 16047 1 1086 . 1 1 103 103 ASN HB2 H 1 2.293 0.01 . 2 . . . . 103 ASN HB2 . 16047 1 1087 . 1 1 103 103 ASN HB3 H 1 2.560 0.01 . 2 . . . . 103 ASN HB3 . 16047 1 1088 . 1 1 103 103 ASN HD21 H 1 7.801 0.01 . 2 . . . . 103 ASN HD21 . 16047 1 1089 . 1 1 103 103 ASN HD22 H 1 6.931 0.01 . 2 . . . . 103 ASN HD22 . 16047 1 1090 . 1 1 103 103 ASN CA C 13 51.808 0.1 . 1 . . . . 103 ASN CA . 16047 1 1091 . 1 1 103 103 ASN CB C 13 43.667 0.1 . 1 . . . . 103 ASN CB . 16047 1 1092 . 1 1 103 103 ASN N N 15 120.534 0.1 . 1 . . . . 103 ASN N . 16047 1 1093 . 1 1 103 103 ASN ND2 N 15 116.394 0.1 . 1 . . . . 103 ASN ND2 . 16047 1 1094 . 1 1 104 104 PHE H H 1 9.235 0.01 . 1 . . . . 104 PHE H . 16047 1 1095 . 1 1 104 104 PHE HA H 1 5.774 0.01 . 1 . . . . 104 PHE HA . 16047 1 1096 . 1 1 104 104 PHE HB2 H 1 3.060 0.01 . 2 . . . . 104 PHE HB2 . 16047 1 1097 . 1 1 104 104 PHE HB3 H 1 2.840 0.01 . 2 . . . . 104 PHE HB3 . 16047 1 1098 . 1 1 104 104 PHE CA C 13 52.244 0.1 . 1 . . . . 104 PHE CA . 16047 1 1099 . 1 1 104 104 PHE CB C 13 41.387 0.1 . 1 . . . . 104 PHE CB . 16047 1 1100 . 1 1 104 104 PHE N N 15 119.843 0.1 . 1 . . . . 104 PHE N . 16047 1 1101 . 1 1 105 105 VAL H H 1 9.258 0.01 . 1 . . . . 105 VAL H . 16047 1 1102 . 1 1 105 105 VAL HA H 1 4.761 0.01 . 1 . . . . 105 VAL HA . 16047 1 1103 . 1 1 105 105 VAL HB H 1 1.942 0.01 . 1 . . . . 105 VAL HB . 16047 1 1104 . 1 1 105 105 VAL HG11 H 1 0.856 0.01 . 2 . . . . 105 VAL HG1 . 16047 1 1105 . 1 1 105 105 VAL HG12 H 1 0.856 0.01 . 2 . . . . 105 VAL HG1 . 16047 1 1106 . 1 1 105 105 VAL HG13 H 1 0.856 0.01 . 2 . . . . 105 VAL HG1 . 16047 1 1107 . 1 1 105 105 VAL HG21 H 1 0.985 0.01 . 2 . . . . 105 VAL HG2 . 16047 1 1108 . 1 1 105 105 VAL HG22 H 1 0.985 0.01 . 2 . . . . 105 VAL HG2 . 16047 1 1109 . 1 1 105 105 VAL HG23 H 1 0.985 0.01 . 2 . . . . 105 VAL HG2 . 16047 1 1110 . 1 1 105 105 VAL CA C 13 61.733 0.1 . 1 . . . . 105 VAL CA . 16047 1 1111 . 1 1 105 105 VAL CB C 13 34.081 0.1 . 1 . . . . 105 VAL CB . 16047 1 1112 . 1 1 105 105 VAL CG1 C 13 22.139 0.1 . 2 . . . . 105 VAL CG1 . 16047 1 1113 . 1 1 105 105 VAL CG2 C 13 21.574 0.1 . 2 . . . . 105 VAL CG2 . 16047 1 1114 . 1 1 105 105 VAL N N 15 127.913 0.1 . 1 . . . . 105 VAL N . 16047 1 1115 . 1 1 106 106 ARG H H 1 9.155 0.01 . 1 . . . . 106 ARG H . 16047 1 1116 . 1 1 106 106 ARG HA H 1 5.270 0.01 . 1 . . . . 106 ARG HA . 16047 1 1117 . 1 1 106 106 ARG HB2 H 1 1.450 0.01 . 2 . . . . 106 ARG HB2 . 16047 1 1118 . 1 1 106 106 ARG HB3 H 1 1.330 0.01 . 2 . . . . 106 ARG HB3 . 16047 1 1119 . 1 1 106 106 ARG HG2 H 1 1.125 0.01 . 2 . . . . 106 ARG HG2 . 16047 1 1120 . 1 1 106 106 ARG HG3 H 1 1.710 0.01 . 2 . . . . 106 ARG HG3 . 16047 1 1121 . 1 1 106 106 ARG CA C 13 54.568 0.1 . 1 . . . . 106 ARG CA . 16047 1 1122 . 1 1 106 106 ARG CB C 13 33.138 0.1 . 1 . . . . 106 ARG CB . 16047 1 1123 . 1 1 106 106 ARG CD C 13 42.073 0.1 . 1 . . . . 106 ARG CD . 16047 1 1124 . 1 1 106 106 ARG N N 15 127.985 0.1 . 1 . . . . 106 ARG N . 16047 1 1125 . 1 1 107 107 GLU H H 1 8.846 0.01 . 1 . . . . 107 GLU H . 16047 1 1126 . 1 1 107 107 GLU HA H 1 4.972 0.01 . 1 . . . . 107 GLU HA . 16047 1 1127 . 1 1 107 107 GLU HB2 H 1 1.801 0.01 . 2 . . . . 107 GLU HB2 . 16047 1 1128 . 1 1 107 107 GLU HB3 H 1 1.897 0.01 . 2 . . . . 107 GLU HB3 . 16047 1 1129 . 1 1 107 107 GLU HG2 H 1 2.110 0.01 . 2 . . . . 107 GLU HG2 . 16047 1 1130 . 1 1 107 107 GLU HG3 H 1 2.093 0.01 . 2 . . . . 107 GLU HG3 . 16047 1 1131 . 1 1 107 107 GLU CA C 13 54.120 0.1 . 1 . . . . 107 GLU CA . 16047 1 1132 . 1 1 107 107 GLU CB C 13 35.010 0.1 . 1 . . . . 107 GLU CB . 16047 1 1133 . 1 1 107 107 GLU CG C 13 36.805 0.1 . 1 . . . . 107 GLU CG . 16047 1 1134 . 1 1 107 107 GLU N N 15 121.527 0.1 . 1 . . . . 107 GLU N . 16047 1 1135 . 1 1 108 108 ILE H H 1 8.947 0.01 . 1 . . . . 108 ILE H . 16047 1 1136 . 1 1 108 108 ILE HA H 1 4.801 0.01 . 1 . . . . 108 ILE HA . 16047 1 1137 . 1 1 108 108 ILE HB H 1 1.649 0.01 . 1 . . . . 108 ILE HB . 16047 1 1138 . 1 1 108 108 ILE HD11 H 1 0.056 0.01 . 1 . . . . 108 ILE HD1 . 16047 1 1139 . 1 1 108 108 ILE HD12 H 1 0.056 0.01 . 1 . . . . 108 ILE HD1 . 16047 1 1140 . 1 1 108 108 ILE HD13 H 1 0.056 0.01 . 1 . . . . 108 ILE HD1 . 16047 1 1141 . 1 1 108 108 ILE HG12 H 1 0.419 0.01 . 2 . . . . 108 ILE HG12 . 16047 1 1142 . 1 1 108 108 ILE HG13 H 1 0.532 0.01 . 2 . . . . 108 ILE HG13 . 16047 1 1143 . 1 1 108 108 ILE HG21 H 1 0.616 0.01 . 1 . . . . 108 ILE HG2 . 16047 1 1144 . 1 1 108 108 ILE HG22 H 1 0.616 0.01 . 1 . . . . 108 ILE HG2 . 16047 1 1145 . 1 1 108 108 ILE HG23 H 1 0.616 0.01 . 1 . . . . 108 ILE HG2 . 16047 1 1146 . 1 1 108 108 ILE CA C 13 57.944 0.1 . 1 . . . . 108 ILE CA . 16047 1 1147 . 1 1 108 108 ILE CB C 13 35.500 0.1 . 1 . . . . 108 ILE CB . 16047 1 1148 . 1 1 108 108 ILE CD1 C 13 10.879 0.1 . 1 . . . . 108 ILE CD1 . 16047 1 1149 . 1 1 108 108 ILE CG1 C 13 25.526 0.1 . 1 . . . . 108 ILE CG1 . 16047 1 1150 . 1 1 108 108 ILE CG2 C 13 16.898 0.1 . 1 . . . . 108 ILE CG2 . 16047 1 1151 . 1 1 108 108 ILE N N 15 124.366 0.1 . 1 . . . . 108 ILE N . 16047 1 1152 . 1 1 109 109 LYS H H 1 9.017 0.01 . 1 . . . . 109 LYS H . 16047 1 1153 . 1 1 109 109 LYS HA H 1 4.500 0.01 . 1 . . . . 109 LYS HA . 16047 1 1154 . 1 1 109 109 LYS HB2 H 1 1.463 0.01 . 2 . . . . 109 LYS HB2 . 16047 1 1155 . 1 1 109 109 LYS HB3 H 1 1.596 0.01 . 2 . . . . 109 LYS HB3 . 16047 1 1156 . 1 1 109 109 LYS HD2 H 1 1.540 0.01 . 2 . . . . 109 LYS HD2 . 16047 1 1157 . 1 1 109 109 LYS HD3 H 1 1.540 0.01 . 2 . . . . 109 LYS HD3 . 16047 1 1158 . 1 1 109 109 LYS HE2 H 1 2.802 0.01 . 2 . . . . 109 LYS HE2 . 16047 1 1159 . 1 1 109 109 LYS HE3 H 1 2.810 0.01 . 2 . . . . 109 LYS HE3 . 16047 1 1160 . 1 1 109 109 LYS HG2 H 1 1.190 0.01 . 2 . . . . 109 LYS HG2 . 16047 1 1161 . 1 1 109 109 LYS HG3 H 1 1.190 0.01 . 2 . . . . 109 LYS HG3 . 16047 1 1162 . 1 1 109 109 LYS CA C 13 54.988 0.1 . 1 . . . . 109 LYS CA . 16047 1 1163 . 1 1 109 109 LYS CB C 13 34.918 0.1 . 1 . . . . 109 LYS CB . 16047 1 1164 . 1 1 109 109 LYS CD C 13 28.862 0.1 . 1 . . . . 109 LYS CD . 16047 1 1165 . 1 1 109 109 LYS CE C 13 42.026 0.1 . 1 . . . . 109 LYS CE . 16047 1 1166 . 1 1 109 109 LYS CG C 13 24.398 0.1 . 1 . . . . 109 LYS CG . 16047 1 1167 . 1 1 109 109 LYS N N 15 129.063 0.1 . 1 . . . . 109 LYS N . 16047 1 1168 . 1 1 110 110 ASP H H 1 9.395 0.01 . 1 . . . . 110 ASP H . 16047 1 1169 . 1 1 110 110 ASP HA H 1 4.210 0.01 . 1 . . . . 110 ASP HA . 16047 1 1170 . 1 1 110 110 ASP HB2 H 1 2.865 0.01 . 2 . . . . 110 ASP HB2 . 16047 1 1171 . 1 1 110 110 ASP HB3 H 1 2.540 0.01 . 2 . . . . 110 ASP HB3 . 16047 1 1172 . 1 1 110 110 ASP CA C 13 55.364 0.1 . 1 . . . . 110 ASP CA . 16047 1 1173 . 1 1 110 110 ASP CB C 13 39.907 0.1 . 1 . . . . 110 ASP CB . 16047 1 1174 . 1 1 111 111 GLY H H 1 8.218 0.01 . 1 . . . . 111 GLY H . 16047 1 1175 . 1 1 111 111 GLY HA2 H 1 3.557 0.01 . 2 . . . . 111 GLY HA2 . 16047 1 1176 . 1 1 111 111 GLY HA3 H 1 4.119 0.01 . 2 . . . . 111 GLY HA3 . 16047 1 1177 . 1 1 111 111 GLY CA C 13 45.709 0.1 . 1 . . . . 111 GLY CA . 16047 1 1178 . 1 1 111 111 GLY N N 15 103.522 0.1 . 1 . . . . 111 GLY N . 16047 1 1179 . 1 1 112 112 LYS H H 1 7.833 0.01 . 1 . . . . 112 LYS H . 16047 1 1180 . 1 1 112 112 LYS HA H 1 5.012 0.01 . 1 . . . . 112 LYS HA . 16047 1 1181 . 1 1 112 112 LYS HB2 H 1 1.830 0.01 . 2 . . . . 112 LYS HB2 . 16047 1 1182 . 1 1 112 112 LYS HB3 H 1 2.070 0.01 . 2 . . . . 112 LYS HB3 . 16047 1 1183 . 1 1 112 112 LYS HD2 H 1 1.641 0.01 . 2 . . . . 112 LYS HD2 . 16047 1 1184 . 1 1 112 112 LYS HD3 H 1 1.641 0.01 . 2 . . . . 112 LYS HD3 . 16047 1 1185 . 1 1 112 112 LYS HE2 H 1 2.943 0.01 . 2 . . . . 112 LYS HE2 . 16047 1 1186 . 1 1 112 112 LYS HE3 H 1 2.946 0.01 . 2 . . . . 112 LYS HE3 . 16047 1 1187 . 1 1 112 112 LYS HG2 H 1 1.512 0.01 . 2 . . . . 112 LYS HG2 . 16047 1 1188 . 1 1 112 112 LYS HG3 H 1 1.512 0.01 . 2 . . . . 112 LYS HG3 . 16047 1 1189 . 1 1 112 112 LYS CA C 13 55.049 0.1 . 1 . . . . 112 LYS CA . 16047 1 1190 . 1 1 112 112 LYS CB C 13 34.535 0.1 . 1 . . . . 112 LYS CB . 16047 1 1191 . 1 1 112 112 LYS CD C 13 29.317 0.1 . 1 . . . . 112 LYS CD . 16047 1 1192 . 1 1 112 112 LYS CE C 13 42.370 0.1 . 1 . . . . 112 LYS CE . 16047 1 1193 . 1 1 112 112 LYS CG C 13 25.553 0.1 . 1 . . . . 112 LYS CG . 16047 1 1194 . 1 1 112 112 LYS N N 15 121.918 0.1 . 1 . . . . 112 LYS N . 16047 1 1195 . 1 1 113 113 MET H H 1 7.995 0.01 . 1 . . . . 113 MET H . 16047 1 1196 . 1 1 113 113 MET HA H 1 4.841 0.01 . 1 . . . . 113 MET HA . 16047 1 1197 . 1 1 113 113 MET HB3 H 1 1.029 0.01 . 2 . . . . 113 MET HB3 . 16047 1 1198 . 1 1 113 113 MET HG2 H 1 1.706 0.01 . 2 . . . . 113 MET HG2 . 16047 1 1199 . 1 1 113 113 MET HG3 H 1 1.719 0.01 . 2 . . . . 113 MET HG3 . 16047 1 1200 . 1 1 113 113 MET CA C 13 54.568 0.1 . 1 . . . . 113 MET CA . 16047 1 1201 . 1 1 113 113 MET CB C 13 33.496 0.1 . 1 . . . . 113 MET CB . 16047 1 1202 . 1 1 113 113 MET CG C 13 30.642 0.1 . 1 . . . . 113 MET CG . 16047 1 1203 . 1 1 113 113 MET N N 15 122.645 0.1 . 1 . . . . 113 MET N . 16047 1 1204 . 1 1 114 114 VAL H H 1 9.120 0.01 . 1 . . . . 114 VAL H . 16047 1 1205 . 1 1 114 114 VAL HA H 1 4.500 0.01 . 1 . . . . 114 VAL HA . 16047 1 1206 . 1 1 114 114 VAL HB H 1 1.730 0.01 . 1 . . . . 114 VAL HB . 16047 1 1207 . 1 1 114 114 VAL HG11 H 1 0.484 0.01 . 2 . . . . 114 VAL HG1 . 16047 1 1208 . 1 1 114 114 VAL HG12 H 1 0.484 0.01 . 2 . . . . 114 VAL HG1 . 16047 1 1209 . 1 1 114 114 VAL HG13 H 1 0.484 0.01 . 2 . . . . 114 VAL HG1 . 16047 1 1210 . 1 1 114 114 VAL HG21 H 1 0.670 0.01 . 2 . . . . 114 VAL HG2 . 16047 1 1211 . 1 1 114 114 VAL HG22 H 1 0.670 0.01 . 2 . . . . 114 VAL HG2 . 16047 1 1212 . 1 1 114 114 VAL HG23 H 1 0.670 0.01 . 2 . . . . 114 VAL HG2 . 16047 1 1213 . 1 1 114 114 VAL CA C 13 61.014 0.1 . 1 . . . . 114 VAL CA . 16047 1 1214 . 1 1 114 114 VAL CB C 13 33.783 0.1 . 1 . . . . 114 VAL CB . 16047 1 1215 . 1 1 114 114 VAL CG1 C 13 20.593 0.1 . 2 . . . . 114 VAL CG1 . 16047 1 1216 . 1 1 114 114 VAL CG2 C 13 21.353 0.1 . 2 . . . . 114 VAL CG2 . 16047 1 1217 . 1 1 114 114 VAL N N 15 129.215 0.1 . 1 . . . . 114 VAL N . 16047 1 1218 . 1 1 115 115 MET H H 1 9.736 0.01 . 1 . . . . 115 MET H . 16047 1 1219 . 1 1 115 115 MET HA H 1 5.694 0.01 . 1 . . . . 115 MET HA . 16047 1 1220 . 1 1 115 115 MET HB2 H 1 1.440 0.01 . 2 . . . . 115 MET HB2 . 16047 1 1221 . 1 1 115 115 MET HB3 H 1 2.243 0.01 . 2 . . . . 115 MET HB3 . 16047 1 1222 . 1 1 115 115 MET HE1 H 1 1.980 0.01 . . . . . . 115 MET HE . 16047 1 1223 . 1 1 115 115 MET HE2 H 1 1.980 0.01 . . . . . . 115 MET HE . 16047 1 1224 . 1 1 115 115 MET HE3 H 1 1.980 0.01 . . . . . . 115 MET HE . 16047 1 1225 . 1 1 115 115 MET HG2 H 1 2.010 0.01 . 2 . . . . 115 MET HG2 . 16047 1 1226 . 1 1 115 115 MET HG3 H 1 2.010 0.01 . 2 . . . . 115 MET HG3 . 16047 1 1227 . 1 1 115 115 MET CA C 13 53.221 0.1 . 1 . . . . 115 MET CA . 16047 1 1228 . 1 1 115 115 MET CB C 13 38.295 0.1 . 1 . . . . 115 MET CB . 16047 1 1229 . 1 1 115 115 MET CG C 13 31.934 0.1 . 1 . . . . 115 MET CG . 16047 1 1230 . 1 1 115 115 MET N N 15 130.477 0.1 . 1 . . . . 115 MET N . 16047 1 1231 . 1 1 116 116 THR H H 1 9.245 0.01 . 1 . . . . 116 THR H . 16047 1 1232 . 1 1 116 116 THR HA H 1 4.962 0.01 . 1 . . . . 116 THR HA . 16047 1 1233 . 1 1 116 116 THR HB H 1 3.818 0.01 . 1 . . . . 116 THR HB . 16047 1 1234 . 1 1 116 116 THR HG21 H 1 1.003 0.01 . . . . . . 116 THR HG2 . 16047 1 1235 . 1 1 116 116 THR HG22 H 1 1.003 0.01 . . . . . . 116 THR HG2 . 16047 1 1236 . 1 1 116 116 THR HG23 H 1 1.003 0.01 . . . . . . 116 THR HG2 . 16047 1 1237 . 1 1 116 116 THR CA C 13 62.492 0.1 . 1 . . . . 116 THR CA . 16047 1 1238 . 1 1 116 116 THR CB C 13 69.346 0.1 . 1 . . . . 116 THR CB . 16047 1 1239 . 1 1 116 116 THR CG2 C 13 20.926 0.1 . 1 . . . . 116 THR CG2 . 16047 1 1240 . 1 1 116 116 THR N N 15 125.514 0.1 . 1 . . . . 116 THR N . 16047 1 1241 . 1 1 117 117 LEU H H 1 9.767 0.01 . 1 . . . . 117 LEU H . 16047 1 1242 . 1 1 117 117 LEU HA H 1 5.192 0.01 . 1 . . . . 117 LEU HA . 16047 1 1243 . 1 1 117 117 LEU HB2 H 1 0.778 0.01 . 2 . . . . 117 LEU HB2 . 16047 1 1244 . 1 1 117 117 LEU HB3 H 1 0.959 0.01 . 2 . . . . 117 LEU HB3 . 16047 1 1245 . 1 1 117 117 LEU HD11 H 1 0.542 0.01 . 2 . . . . 117 LEU HD1 . 16047 1 1246 . 1 1 117 117 LEU HD12 H 1 0.542 0.01 . 2 . . . . 117 LEU HD1 . 16047 1 1247 . 1 1 117 117 LEU HD13 H 1 0.542 0.01 . 2 . . . . 117 LEU HD1 . 16047 1 1248 . 1 1 117 117 LEU HD21 H 1 0.315 0.01 . 2 . . . . 117 LEU HD2 . 16047 1 1249 . 1 1 117 117 LEU HD22 H 1 0.315 0.01 . 2 . . . . 117 LEU HD2 . 16047 1 1250 . 1 1 117 117 LEU HD23 H 1 0.315 0.01 . 2 . . . . 117 LEU HD2 . 16047 1 1251 . 1 1 117 117 LEU HG H 1 1.159 0.01 . 1 . . . . 117 LEU HG . 16047 1 1252 . 1 1 117 117 LEU CA C 13 56.031 0.1 . 1 . . . . 117 LEU CA . 16047 1 1253 . 1 1 117 117 LEU CB C 13 41.470 0.1 . 1 . . . . 117 LEU CB . 16047 1 1254 . 1 1 117 117 LEU CD1 C 13 26.928 0.1 . 2 . . . . 117 LEU CD1 . 16047 1 1255 . 1 1 117 117 LEU CD2 C 13 28.404 0.1 . 2 . . . . 117 LEU CD2 . 16047 1 1256 . 1 1 117 117 LEU CG C 13 28.636 0.1 . 1 . . . . 117 LEU CG . 16047 1 1257 . 1 1 117 117 LEU N N 15 133.418 0.1 . 1 . . . . 117 LEU N . 16047 1 1258 . 1 1 118 118 THR H H 1 8.688 0.01 . 1 . . . . 118 THR H . 16047 1 1259 . 1 1 118 118 THR HA H 1 5.373 0.01 . 1 . . . . 118 THR HA . 16047 1 1260 . 1 1 118 118 THR HB H 1 3.918 0.01 . 1 . . . . 118 THR HB . 16047 1 1261 . 1 1 118 118 THR HG1 H 1 6.130 0.01 . 1 . . . . 118 THR HG1 . 16047 1 1262 . 1 1 118 118 THR HG21 H 1 1.140 0.01 . . . . . . 118 THR HG2 . 16047 1 1263 . 1 1 118 118 THR HG22 H 1 1.140 0.01 . . . . . . 118 THR HG2 . 16047 1 1264 . 1 1 118 118 THR HG23 H 1 1.140 0.01 . . . . . . 118 THR HG2 . 16047 1 1265 . 1 1 118 118 THR CA C 13 62.504 0.1 . 1 . . . . 118 THR CA . 16047 1 1266 . 1 1 118 118 THR CB C 13 70.913 0.1 . 1 . . . . 118 THR CB . 16047 1 1267 . 1 1 118 118 THR CG2 C 13 21.643 0.1 . 1 . . . . 118 THR CG2 . 16047 1 1268 . 1 1 118 118 THR N N 15 117.222 0.1 . 1 . . . . 118 THR N . 16047 1 1269 . 1 1 119 119 PHE H H 1 9.630 0.01 . 1 . . . . 119 PHE H . 16047 1 1270 . 1 1 119 119 PHE HA H 1 5.102 0.01 . 1 . . . . 119 PHE HA . 16047 1 1271 . 1 1 119 119 PHE HB2 H 1 3.096 0.01 . 2 . . . . 119 PHE HB2 . 16047 1 1272 . 1 1 119 119 PHE HB3 H 1 2.785 0.01 . 2 . . . . 119 PHE HB3 . 16047 1 1273 . 1 1 119 119 PHE CA C 13 57.770 0.1 . 1 . . . . 119 PHE CA . 16047 1 1274 . 1 1 119 119 PHE CB C 13 41.196 0.1 . 1 . . . . 119 PHE CB . 16047 1 1275 . 1 1 119 119 PHE N N 15 132.293 0.1 . 1 . . . . 119 PHE N . 16047 1 1276 . 1 1 120 120 GLY H H 1 9.005 0.01 . 1 . . . . 120 GLY H . 16047 1 1277 . 1 1 120 120 GLY HA2 H 1 3.326 0.01 . 2 . . . . 120 GLY HA2 . 16047 1 1278 . 1 1 120 120 GLY HA3 H 1 3.577 0.01 . 2 . . . . 120 GLY HA3 . 16047 1 1279 . 1 1 120 120 GLY CA C 13 47.286 0.1 . 1 . . . . 120 GLY CA . 16047 1 1280 . 1 1 120 120 GLY N N 15 119.984 0.1 . 1 . . . . 120 GLY N . 16047 1 1281 . 1 1 121 121 ASP H H 1 8.513 0.01 . 1 . . . . 121 ASP H . 16047 1 1282 . 1 1 121 121 ASP HA H 1 4.520 0.01 . 1 . . . . 121 ASP HA . 16047 1 1283 . 1 1 121 121 ASP HB2 H 1 2.640 0.01 . 2 . . . . 121 ASP HB2 . 16047 1 1284 . 1 1 121 121 ASP HB3 H 1 2.634 0.01 . 2 . . . . 121 ASP HB3 . 16047 1 1285 . 1 1 121 121 ASP CA C 13 53.871 0.1 . 1 . . . . 121 ASP CA . 16047 1 1286 . 1 1 121 121 ASP CB C 13 40.874 0.1 . 1 . . . . 121 ASP CB . 16047 1 1287 . 1 1 121 121 ASP N N 15 126.776 0.1 . 1 . . . . 121 ASP N . 16047 1 1288 . 1 1 122 122 VAL H H 1 8.374 0.01 . 1 . . . . 122 VAL H . 16047 1 1289 . 1 1 122 122 VAL HA H 1 3.988 0.01 . 1 . . . . 122 VAL HA . 16047 1 1290 . 1 1 122 122 VAL HB H 1 2.403 0.01 . 1 . . . . 122 VAL HB . 16047 1 1291 . 1 1 122 122 VAL HG11 H 1 0.884 0.01 . 2 . . . . 122 VAL HG1 . 16047 1 1292 . 1 1 122 122 VAL HG12 H 1 0.884 0.01 . 2 . . . . 122 VAL HG1 . 16047 1 1293 . 1 1 122 122 VAL HG13 H 1 0.884 0.01 . 2 . . . . 122 VAL HG1 . 16047 1 1294 . 1 1 122 122 VAL HG21 H 1 0.974 0.01 . 2 . . . . 122 VAL HG2 . 16047 1 1295 . 1 1 122 122 VAL HG22 H 1 0.974 0.01 . 2 . . . . 122 VAL HG2 . 16047 1 1296 . 1 1 122 122 VAL HG23 H 1 0.974 0.01 . 2 . . . . 122 VAL HG2 . 16047 1 1297 . 1 1 122 122 VAL CA C 13 63.651 0.1 . 1 . . . . 122 VAL CA . 16047 1 1298 . 1 1 122 122 VAL CB C 13 32.171 0.1 . 1 . . . . 122 VAL CB . 16047 1 1299 . 1 1 122 122 VAL CG1 C 13 21.376 0.1 . 2 . . . . 122 VAL CG1 . 16047 1 1300 . 1 1 122 122 VAL CG2 C 13 21.643 0.1 . 2 . . . . 122 VAL CG2 . 16047 1 1301 . 1 1 122 122 VAL N N 15 124.195 0.1 . 1 . . . . 122 VAL N . 16047 1 1302 . 1 1 123 123 VAL H H 1 8.257 0.01 . 1 . . . . 123 VAL H . 16047 1 1303 . 1 1 123 123 VAL HA H 1 5.303 0.01 . 1 . . . . 123 VAL HA . 16047 1 1304 . 1 1 123 123 VAL HB H 1 1.751 0.01 . 1 . . . . 123 VAL HB . 16047 1 1305 . 1 1 123 123 VAL HG11 H 1 0.733 0.01 . 2 . . . . 123 VAL HG1 . 16047 1 1306 . 1 1 123 123 VAL HG12 H 1 0.733 0.01 . 2 . . . . 123 VAL HG1 . 16047 1 1307 . 1 1 123 123 VAL HG13 H 1 0.733 0.01 . 2 . . . . 123 VAL HG1 . 16047 1 1308 . 1 1 123 123 VAL HG21 H 1 0.833 0.01 . 2 . . . . 123 VAL HG2 . 16047 1 1309 . 1 1 123 123 VAL HG22 H 1 0.833 0.01 . 2 . . . . 123 VAL HG2 . 16047 1 1310 . 1 1 123 123 VAL HG23 H 1 0.833 0.01 . 2 . . . . 123 VAL HG2 . 16047 1 1311 . 1 1 123 123 VAL CA C 13 60.401 0.1 . 1 . . . . 123 VAL CA . 16047 1 1312 . 1 1 123 123 VAL CB C 13 35.072 0.1 . 1 . . . . 123 VAL CB . 16047 1 1313 . 1 1 123 123 VAL CG1 C 13 21.454 0.1 . 2 . . . . 123 VAL CG1 . 16047 1 1314 . 1 1 123 123 VAL CG2 C 13 21.436 0.1 . 2 . . . . 123 VAL CG2 . 16047 1 1315 . 1 1 123 123 VAL N N 15 127.933 0.1 . 1 . . . . 123 VAL N . 16047 1 1316 . 1 1 124 124 ALA H H 1 9.596 0.01 . 1 . . . . 124 ALA H . 16047 1 1317 . 1 1 124 124 ALA HA H 1 5.172 0.01 . 1 . . . . 124 ALA HA . 16047 1 1318 . 1 1 124 124 ALA HB1 H 1 1.330 0.01 . 1 . . . . 124 ALA HB . 16047 1 1319 . 1 1 124 124 ALA HB2 H 1 1.330 0.01 . 1 . . . . 124 ALA HB . 16047 1 1320 . 1 1 124 124 ALA HB3 H 1 1.330 0.01 . 1 . . . . 124 ALA HB . 16047 1 1321 . 1 1 124 124 ALA CA C 13 49.866 0.1 . 1 . . . . 124 ALA CA . 16047 1 1322 . 1 1 124 124 ALA CB C 13 22.550 0.1 . 1 . . . . 124 ALA CB . 16047 1 1323 . 1 1 124 124 ALA N N 15 131.205 0.1 . 1 . . . . 124 ALA N . 16047 1 1324 . 1 1 125 125 VAL H H 1 8.453 0.01 . 1 . . . . 125 VAL H . 16047 1 1325 . 1 1 125 125 VAL HA H 1 5.042 0.01 . 1 . . . . 125 VAL HA . 16047 1 1326 . 1 1 125 125 VAL HB H 1 1.740 0.01 . 1 . . . . 125 VAL HB . 16047 1 1327 . 1 1 125 125 VAL HG11 H 1 0.629 0.01 . 2 . . . . 125 VAL HG1 . 16047 1 1328 . 1 1 125 125 VAL HG12 H 1 0.629 0.01 . 2 . . . . 125 VAL HG1 . 16047 1 1329 . 1 1 125 125 VAL HG13 H 1 0.629 0.01 . 2 . . . . 125 VAL HG1 . 16047 1 1330 . 1 1 125 125 VAL HG21 H 1 0.793 0.01 . 2 . . . . 125 VAL HG2 . 16047 1 1331 . 1 1 125 125 VAL HG22 H 1 0.793 0.01 . 2 . . . . 125 VAL HG2 . 16047 1 1332 . 1 1 125 125 VAL HG23 H 1 0.793 0.01 . 2 . . . . 125 VAL HG2 . 16047 1 1333 . 1 1 125 125 VAL CA C 13 61.196 0.1 . 1 . . . . 125 VAL CA . 16047 1 1334 . 1 1 125 125 VAL CB C 13 35.717 0.1 . 1 . . . . 125 VAL CB . 16047 1 1335 . 1 1 125 125 VAL CG1 C 13 21.781 0.1 . 2 . . . . 125 VAL CG1 . 16047 1 1336 . 1 1 125 125 VAL CG2 C 13 21.420 0.1 . 2 . . . . 125 VAL CG2 . 16047 1 1337 . 1 1 125 125 VAL N N 15 119.505 0.1 . 1 . . . . 125 VAL N . 16047 1 1338 . 1 1 126 126 ARG H H 1 9.445 0.01 . 1 . . . . 126 ARG H . 16047 1 1339 . 1 1 126 126 ARG HA H 1 4.761 0.01 . 1 . . . . 126 ARG HA . 16047 1 1340 . 1 1 126 126 ARG HB2 H 1 1.287 0.01 . 2 . . . . 126 ARG HB2 . 16047 1 1341 . 1 1 126 126 ARG HB3 H 1 1.661 0.01 . 2 . . . . 126 ARG HB3 . 16047 1 1342 . 1 1 126 126 ARG HG2 H 1 1.040 0.01 . 2 . . . . 126 ARG HG2 . 16047 1 1343 . 1 1 126 126 ARG HG3 H 1 1.663 0.01 . 2 . . . . 126 ARG HG3 . 16047 1 1344 . 1 1 126 126 ARG CA C 13 54.539 0.1 . 1 . . . . 126 ARG CA . 16047 1 1345 . 1 1 126 126 ARG CB C 13 35.513 0.1 . 1 . . . . 126 ARG CB . 16047 1 1346 . 1 1 126 126 ARG CD C 13 41.969 0.1 . 1 . . . . 126 ARG CD . 16047 1 1347 . 1 1 126 126 ARG CG C 13 28.487 0.1 . 1 . . . . 126 ARG CG . 16047 1 1348 . 1 1 126 126 ARG N N 15 129.432 0.1 . 1 . . . . 126 ARG N . 16047 1 1349 . 1 1 127 127 HIS H H 1 8.519 0.01 . 1 . . . . 127 HIS H . 16047 1 1350 . 1 1 127 127 HIS HA H 1 5.270 0.01 . 1 . . . . 127 HIS HA . 16047 1 1351 . 1 1 127 127 HIS HB2 H 1 2.744 0.01 . 2 . . . . 127 HIS HB2 . 16047 1 1352 . 1 1 127 127 HIS HB3 H 1 2.875 0.01 . 2 . . . . 127 HIS HB3 . 16047 1 1353 . 1 1 127 127 HIS CA C 13 55.577 0.1 . 1 . . . . 127 HIS CA . 16047 1 1354 . 1 1 127 127 HIS CB C 13 33.998 0.1 . 1 . . . . 127 HIS CB . 16047 1 1355 . 1 1 127 127 HIS N N 15 122.341 0.1 . 1 . . . . 127 HIS N . 16047 1 1356 . 1 1 128 128 TYR H H 1 9.358 0.01 . 1 . . . . 128 TYR H . 16047 1 1357 . 1 1 128 128 TYR HA H 1 5.433 0.01 . 1 . . . . 128 TYR HA . 16047 1 1358 . 1 1 128 128 TYR HB2 H 1 2.754 0.01 . 2 . . . . 128 TYR HB2 . 16047 1 1359 . 1 1 128 128 TYR HB3 H 1 3.005 0.01 . 2 . . . . 128 TYR HB3 . 16047 1 1360 . 1 1 128 128 TYR CA C 13 56.213 0.1 . 1 . . . . 128 TYR CA . 16047 1 1361 . 1 1 128 128 TYR CB C 13 42.808 0.1 . 1 . . . . 128 TYR CB . 16047 1 1362 . 1 1 128 128 TYR N N 15 120.412 0.1 . 1 . . . . 128 TYR N . 16047 1 1363 . 1 1 129 129 GLU H H 1 9.023 0.01 . 1 . . . . 129 GLU H . 16047 1 1364 . 1 1 129 129 GLU HA H 1 5.363 0.01 . 1 . . . . 129 GLU HA . 16047 1 1365 . 1 1 129 129 GLU HB2 H 1 1.980 0.01 . 2 . . . . 129 GLU HB2 . 16047 1 1366 . 1 1 129 129 GLU HB3 H 1 2.082 0.01 . 2 . . . . 129 GLU HB3 . 16047 1 1367 . 1 1 129 129 GLU HG2 H 1 2.314 0.01 . 2 . . . . 129 GLU HG2 . 16047 1 1368 . 1 1 129 129 GLU HG3 H 1 2.314 0.01 . 2 . . . . 129 GLU HG3 . 16047 1 1369 . 1 1 129 129 GLU CA C 13 53.831 0.1 . 1 . . . . 129 GLU CA . 16047 1 1370 . 1 1 129 129 GLU CB C 13 33.783 0.1 . 1 . . . . 129 GLU CB . 16047 1 1371 . 1 1 129 129 GLU CG C 13 36.705 0.1 . 1 . . . . 129 GLU CG . 16047 1 1372 . 1 1 129 129 GLU N N 15 120.739 0.1 . 1 . . . . 129 GLU N . 16047 1 1373 . 1 1 130 130 LYS H H 1 9.107 0.01 . 1 . . . . 130 LYS H . 16047 1 1374 . 1 1 130 130 LYS HA H 1 4.029 0.01 . 1 . . . . 130 LYS HA . 16047 1 1375 . 1 1 130 130 LYS HB2 H 1 1.410 0.01 . 2 . . . . 130 LYS HB2 . 16047 1 1376 . 1 1 130 130 LYS HB3 H 1 1.390 0.01 . 2 . . . . 130 LYS HB3 . 16047 1 1377 . 1 1 130 130 LYS HD2 H 1 1.169 0.01 . 2 . . . . 130 LYS HD2 . 16047 1 1378 . 1 1 130 130 LYS HD3 H 1 1.258 0.01 . 2 . . . . 130 LYS HD3 . 16047 1 1379 . 1 1 130 130 LYS HE2 H 1 2.419 0.01 . 2 . . . . 130 LYS HE2 . 16047 1 1380 . 1 1 130 130 LYS HE3 H 1 2.642 0.01 . 2 . . . . 130 LYS HE3 . 16047 1 1381 . 1 1 130 130 LYS HG2 H 1 0.340 0.01 . 2 . . . . 130 LYS HG2 . 16047 1 1382 . 1 1 130 130 LYS HG3 H 1 0.747 0.01 . 2 . . . . 130 LYS HG3 . 16047 1 1383 . 1 1 130 130 LYS CA C 13 57.509 0.1 . 1 . . . . 130 LYS CA . 16047 1 1384 . 1 1 130 130 LYS CB C 13 32.708 0.1 . 1 . . . . 130 LYS CB . 16047 1 1385 . 1 1 130 130 LYS CD C 13 29.254 0.1 . 1 . . . . 130 LYS CD . 16047 1 1386 . 1 1 130 130 LYS CE C 13 42.282 0.1 . 1 . . . . 130 LYS CE . 16047 1 1387 . 1 1 130 130 LYS CG C 13 25.652 0.1 . 1 . . . . 130 LYS CG . 16047 1 1388 . 1 1 130 130 LYS N N 15 125.728 0.1 . 1 . . . . 130 LYS N . 16047 1 1389 . 1 1 131 131 ALA H H 1 8.385 0.01 . 1 . . . . 131 ALA H . 16047 1 1390 . 1 1 131 131 ALA HA H 1 4.033 0.01 . 1 . . . . 131 ALA HA . 16047 1 1391 . 1 1 131 131 ALA HB1 H 1 1.120 0.01 . 1 . . . . 131 ALA HB . 16047 1 1392 . 1 1 131 131 ALA HB2 H 1 1.120 0.01 . 1 . . . . 131 ALA HB . 16047 1 1393 . 1 1 131 131 ALA HB3 H 1 1.120 0.01 . 1 . . . . 131 ALA HB . 16047 1 1394 . 1 1 131 131 ALA CA C 13 53.089 0.1 . 1 . . . . 131 ALA CA . 16047 1 1395 . 1 1 131 131 ALA CB C 13 20.811 0.1 . 1 . . . . 131 ALA CB . 16047 1 1396 . 1 1 131 131 ALA N N 15 134.049 0.1 . 1 . . . . 131 ALA N . 16047 1 stop_ save_