data_15507 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15507 _Entry.Title ; Chemical Shift Assignments for Legionella pneumophila Mip bound to rapamycin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-10-04 _Entry.Accession_date 2007-10-04 _Entry.Last_release_date 2008-06-26 _Entry.Original_release_date 2008-06-26 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Chemical Shift Assignments for the Legionella pneumophila Mip protein from the Mip-rapamycin complex in solution' _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 Andreas Ceymann . . . 15507 2 Martin Horstmann . . . 15507 3 Philipp Ehses . . . 15507 4 Kristian Schweimer . . . 15507 5 Cornelius Faber . . . 15507 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Faber group; University of Wuerzburg' . 15507 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15507 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 884 15507 '13C chemical shifts' 581 15507 '15N chemical shifts' 137 15507 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2008-06-26 2007-10-04 original author . 15507 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID EMDB 2vcd 'PDB files; coordinates' 15507 BMRB 7021 'NMR data for free protein' 15507 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15507 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18366641 _Citation.Full_citation . _Citation.Title 'Solution structure of the Legionella pneumophila Mip-rapamycin complex' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'BMC Struct. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 8 _Citation.Journal_issue 17 _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 . _Citation.Page_last . _Citation.Year 2008 _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 Andreas Ceymann . . . 15507 1 2 Martin Horstmann . . . 15507 1 3 Philipp Ehses . . . 15507 1 4 Kristian Schweimer . . . 15507 1 5 Anne-Katrin Paschke . . . 15507 1 6 Michael Steinert . . . 15507 1 7 Cornelius Faber . . . 15507 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15507 _Assembly.ID 1 _Assembly.Name 'Mip-rapamycin complex' _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 5.2.1.8 _Assembly.Details 'Complex of Mip with the PPIase inhibitor rapamycin' _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 Mip 1 $Mip_protein A . yes native no no . . . 15507 1 2 Rapamycin 2 $entity_RAP A . no native no no . . . 15507 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2vcd . . 'solution NMR' . Structure . 15507 1 yes SWISS-PROT Q5ZXE0 . . . . Sequence . 15507 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Mip_protein _Entity.Sf_category entity _Entity.Sf_framecode Mip_protein _Entity.Entry_ID 15507 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Mip_protein _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 ; FNKKADENKVKGEAFLTENK NKPGVVVLPSGLQYKVINSG NGVKPGKSDTVTVEYTGRLI DGTVFDSTEKTGKPATFQVS QVIPGWTEALQLMPAGSTWE IYVPSGLAYGPRSVGGPIGP NETLIFKIHLISVKKSS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq Mip77-213 _Entity.Polymer_author_seq_details 'Only the C-terminal FKBP domain of Mip was under investigation (residue 77-213)' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 137 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'FKBP domain' _Entity.Mutation 'not present' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14650.7 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'Live long and prosper!' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1FD9 . "Crystal Structure Of The Macrophage Infectivity Potentiator Protein (Mip) A Major Virulence Factor From Legionella Pneumophila" . . . . . 100.00 213 100.00 100.00 1.02e-92 . . . . 15507 1 2 no PDB 2UZ5 . "Solution Structure Of The Fkbp-Domain Of Legionella Pneumophila Mip" . . . . . 100.00 137 100.00 100.00 1.12e-91 . . . . 15507 1 3 no PDB 2VCD . "Solution Structure Of The Fkbp-domain Of Legionella Pneumophila Mip In Complex With Rapamycin" . . . . . 100.00 137 100.00 100.00 1.12e-91 . . . . 15507 1 4 no DBJ BAE48749 . "macrophage infectivity potentiator [Legionella pneumophila]" . . . . . 55.47 133 100.00 100.00 1.73e-44 . . . . 15507 1 5 no DBJ GAN16811 . "outer membrane protein MIP precursor [Legionella pneumophila]" . . . . . 100.00 233 99.27 100.00 6.38e-93 . . . . 15507 1 6 no DBJ GAN19917 . "outer membrane protein MIP precursor [Legionella pneumophila]" . . . . . 100.00 233 99.27 100.00 6.38e-93 . . . . 15507 1 7 no DBJ GAN22931 . "outer membrane protein MIP precursor [Legionella pneumophila]" . . . . . 100.00 233 99.27 99.27 2.66e-92 . . . . 15507 1 8 no DBJ GAN25926 . "outer membrane protein MIP precursor [Legionella pneumophila]" . . . . . 100.00 233 100.00 100.00 2.37e-93 . . . . 15507 1 9 no EMBL CAD42883 . "macrophage infectivity potentiator [Legionella pneumophila serogroup 1]" . . . . . 100.00 233 100.00 100.00 2.37e-93 . . . . 15507 1 10 no EMBL CAD42884 . "macrophage infectivity potentiator [Legionella pneumophila serogroup 6]" . . . . . 100.00 233 99.27 100.00 6.38e-93 . . . . 15507 1 11 no EMBL CAD42885 . "macrophage infectivity potentiator [Legionella pneumophila serogroup 8]" . . . . . 100.00 233 100.00 100.00 2.37e-93 . . . . 15507 1 12 no EMBL CAD42887 . "macrophage infectivity potentiator [Legionella pneumophila serogroup 1]" . . . . . 100.00 233 100.00 100.00 2.01e-93 . . . . 15507 1 13 no EMBL CAD42888 . "macrophage infectivity potentiator [Legionella pneumophila serogroup 6]" . . . . . 100.00 233 99.27 100.00 6.38e-93 . . . . 15507 1 14 no GB AAB03461 . "Mip [Legionella fairfieldensis]" . . . . . 86.86 210 99.16 99.16 8.28e-79 . . . . 15507 1 15 no GB AAB03462 . "Mip [Legionella worsleiensis]" . . . . . 86.86 210 98.32 99.16 1.72e-78 . . . . 15507 1 16 no GB AAB22717 . "macrophage infectivity potentiator [Legionella pneumophila]" . . . . . 100.00 233 100.00 100.00 2.37e-93 . . . . 15507 1 17 no GB AAB31083 . "peptidyl-prolyl cis/trans isomerase, partial [Legionella pneumophila]" . . . . . 100.00 233 99.27 100.00 6.38e-93 . . . . 15507 1 18 no GB AAB81364 . "macrophage infectivity potentiator protein, partial [Legionella pneumophila serogroup 2]" . . . . . 81.75 202 99.11 100.00 3.72e-74 . . . . 15507 1 19 no PRF 2014249A . "macrophage infectivity potentiator" . . . . . 100.00 233 100.00 100.00 2.37e-93 . . . . 15507 1 20 no REF WP_010946528 . "membrane protein [Legionella pneumophila]" . . . . . 100.00 235 100.00 100.00 3.25e-93 . . . . 15507 1 21 no REF WP_011213317 . "outer membrane protein MIP [Legionella pneumophila]" . . . . . 100.00 233 100.00 100.00 2.37e-93 . . . . 15507 1 22 no REF WP_011214989 . "outer membrane protein MIP [Legionella pneumophila]" . . . . . 100.00 233 99.27 100.00 6.38e-93 . . . . 15507 1 23 no REF WP_027221154 . "membrane protein [Legionella pneumophila]" . . . . . 100.00 233 98.54 100.00 1.38e-92 . . . . 15507 1 24 no REF WP_040184983 . "outer membrane protein MIP [Legionella pneumophila]" . . . . . 100.00 233 100.00 100.00 2.39e-93 . . . . 15507 1 25 no SP A5IGB8 . "RecName: Full=Outer membrane protein MIP; AltName: Full=Macrophage infectivity potentiator; AltName: Full=Peptidyl-prolyl cis-t" . . . . . 100.00 233 99.27 100.00 6.38e-93 . . . . 15507 1 26 no SP Q5ZXE0 . "RecName: Full=Outer membrane protein MIP; AltName: Full=Macrophage infectivity potentiator; AltName: Full=Peptidyl-prolyl cis-t" . . . . . 100.00 233 100.00 100.00 2.37e-93 . . . . 15507 1 27 no SP Q70YI1 . "RecName: Full=Outer membrane protein MIP; AltName: Full=Macrophage infectivity potentiator; AltName: Full=Peptidyl-prolyl cis-t" . . . . . 100.00 233 99.27 100.00 6.38e-93 . . . . 15507 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID PPIase 15507 1 Rotamase 15507 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 . PHE . 15507 1 2 . ASN . 15507 1 3 . LYS . 15507 1 4 . LYS . 15507 1 5 . ALA . 15507 1 6 . ASP . 15507 1 7 . GLU . 15507 1 8 . ASN . 15507 1 9 . LYS . 15507 1 10 . VAL . 15507 1 11 . LYS . 15507 1 12 . GLY . 15507 1 13 . GLU . 15507 1 14 . ALA . 15507 1 15 . PHE . 15507 1 16 . LEU . 15507 1 17 . THR . 15507 1 18 . GLU . 15507 1 19 . ASN . 15507 1 20 . LYS . 15507 1 21 . ASN . 15507 1 22 . LYS . 15507 1 23 . PRO . 15507 1 24 . GLY . 15507 1 25 . VAL . 15507 1 26 . VAL . 15507 1 27 . VAL . 15507 1 28 . LEU . 15507 1 29 . PRO . 15507 1 30 . SER . 15507 1 31 . GLY . 15507 1 32 . LEU . 15507 1 33 . GLN . 15507 1 34 . TYR . 15507 1 35 . LYS . 15507 1 36 . VAL . 15507 1 37 . ILE . 15507 1 38 . ASN . 15507 1 39 . SER . 15507 1 40 . GLY . 15507 1 41 . ASN . 15507 1 42 . GLY . 15507 1 43 . VAL . 15507 1 44 . LYS . 15507 1 45 . PRO . 15507 1 46 . GLY . 15507 1 47 . LYS . 15507 1 48 . SER . 15507 1 49 . ASP . 15507 1 50 . THR . 15507 1 51 . VAL . 15507 1 52 . THR . 15507 1 53 . VAL . 15507 1 54 . GLU . 15507 1 55 . TYR . 15507 1 56 . THR . 15507 1 57 . GLY . 15507 1 58 . ARG . 15507 1 59 . LEU . 15507 1 60 . ILE . 15507 1 61 . ASP . 15507 1 62 . GLY . 15507 1 63 . THR . 15507 1 64 . VAL . 15507 1 65 . PHE . 15507 1 66 . ASP . 15507 1 67 . SER . 15507 1 68 . THR . 15507 1 69 . GLU . 15507 1 70 . LYS . 15507 1 71 . THR . 15507 1 72 . GLY . 15507 1 73 . LYS . 15507 1 74 . PRO . 15507 1 75 . ALA . 15507 1 76 . THR . 15507 1 77 . PHE . 15507 1 78 . GLN . 15507 1 79 . VAL . 15507 1 80 . SER . 15507 1 81 . GLN . 15507 1 82 . VAL . 15507 1 83 . ILE . 15507 1 84 . PRO . 15507 1 85 . GLY . 15507 1 86 . TRP . 15507 1 87 . THR . 15507 1 88 . GLU . 15507 1 89 . ALA . 15507 1 90 . LEU . 15507 1 91 . GLN . 15507 1 92 . LEU . 15507 1 93 . MET . 15507 1 94 . PRO . 15507 1 95 . ALA . 15507 1 96 . GLY . 15507 1 97 . SER . 15507 1 98 . THR . 15507 1 99 . TRP . 15507 1 100 . GLU . 15507 1 101 . ILE . 15507 1 102 . TYR . 15507 1 103 . VAL . 15507 1 104 . PRO . 15507 1 105 . SER . 15507 1 106 . GLY . 15507 1 107 . LEU . 15507 1 108 . ALA . 15507 1 109 . TYR . 15507 1 110 . GLY . 15507 1 111 . PRO . 15507 1 112 . ARG . 15507 1 113 . SER . 15507 1 114 . VAL . 15507 1 115 . GLY . 15507 1 116 . GLY . 15507 1 117 . PRO . 15507 1 118 . ILE . 15507 1 119 . GLY . 15507 1 120 . PRO . 15507 1 121 . ASN . 15507 1 122 . GLU . 15507 1 123 . THR . 15507 1 124 . LEU . 15507 1 125 . ILE . 15507 1 126 . PHE . 15507 1 127 . LYS . 15507 1 128 . ILE . 15507 1 129 . HIS . 15507 1 130 . LEU . 15507 1 131 . ILE . 15507 1 132 . SER . 15507 1 133 . VAL . 15507 1 134 . LYS . 15507 1 135 . LYS . 15507 1 136 . SER . 15507 1 137 . SER . 15507 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 . PHE 1 1 15507 1 . ASN 2 2 15507 1 . LYS 3 3 15507 1 . LYS 4 4 15507 1 . ALA 5 5 15507 1 . ASP 6 6 15507 1 . GLU 7 7 15507 1 . ASN 8 8 15507 1 . LYS 9 9 15507 1 . VAL 10 10 15507 1 . LYS 11 11 15507 1 . GLY 12 12 15507 1 . GLU 13 13 15507 1 . ALA 14 14 15507 1 . PHE 15 15 15507 1 . LEU 16 16 15507 1 . THR 17 17 15507 1 . GLU 18 18 15507 1 . ASN 19 19 15507 1 . LYS 20 20 15507 1 . ASN 21 21 15507 1 . LYS 22 22 15507 1 . PRO 23 23 15507 1 . GLY 24 24 15507 1 . VAL 25 25 15507 1 . VAL 26 26 15507 1 . VAL 27 27 15507 1 . LEU 28 28 15507 1 . PRO 29 29 15507 1 . SER 30 30 15507 1 . GLY 31 31 15507 1 . LEU 32 32 15507 1 . GLN 33 33 15507 1 . TYR 34 34 15507 1 . LYS 35 35 15507 1 . VAL 36 36 15507 1 . ILE 37 37 15507 1 . ASN 38 38 15507 1 . SER 39 39 15507 1 . GLY 40 40 15507 1 . ASN 41 41 15507 1 . GLY 42 42 15507 1 . VAL 43 43 15507 1 . LYS 44 44 15507 1 . PRO 45 45 15507 1 . GLY 46 46 15507 1 . LYS 47 47 15507 1 . SER 48 48 15507 1 . ASP 49 49 15507 1 . THR 50 50 15507 1 . VAL 51 51 15507 1 . THR 52 52 15507 1 . VAL 53 53 15507 1 . GLU 54 54 15507 1 . TYR 55 55 15507 1 . THR 56 56 15507 1 . GLY 57 57 15507 1 . ARG 58 58 15507 1 . LEU 59 59 15507 1 . ILE 60 60 15507 1 . ASP 61 61 15507 1 . GLY 62 62 15507 1 . THR 63 63 15507 1 . VAL 64 64 15507 1 . PHE 65 65 15507 1 . ASP 66 66 15507 1 . SER 67 67 15507 1 . THR 68 68 15507 1 . GLU 69 69 15507 1 . LYS 70 70 15507 1 . THR 71 71 15507 1 . GLY 72 72 15507 1 . LYS 73 73 15507 1 . PRO 74 74 15507 1 . ALA 75 75 15507 1 . THR 76 76 15507 1 . PHE 77 77 15507 1 . GLN 78 78 15507 1 . VAL 79 79 15507 1 . SER 80 80 15507 1 . GLN 81 81 15507 1 . VAL 82 82 15507 1 . ILE 83 83 15507 1 . PRO 84 84 15507 1 . GLY 85 85 15507 1 . TRP 86 86 15507 1 . THR 87 87 15507 1 . GLU 88 88 15507 1 . ALA 89 89 15507 1 . LEU 90 90 15507 1 . GLN 91 91 15507 1 . LEU 92 92 15507 1 . MET 93 93 15507 1 . PRO 94 94 15507 1 . ALA 95 95 15507 1 . GLY 96 96 15507 1 . SER 97 97 15507 1 . THR 98 98 15507 1 . TRP 99 99 15507 1 . GLU 100 100 15507 1 . ILE 101 101 15507 1 . TYR 102 102 15507 1 . VAL 103 103 15507 1 . PRO 104 104 15507 1 . SER 105 105 15507 1 . GLY 106 106 15507 1 . LEU 107 107 15507 1 . ALA 108 108 15507 1 . TYR 109 109 15507 1 . GLY 110 110 15507 1 . PRO 111 111 15507 1 . ARG 112 112 15507 1 . SER 113 113 15507 1 . VAL 114 114 15507 1 . GLY 115 115 15507 1 . GLY 116 116 15507 1 . PRO 117 117 15507 1 . ILE 118 118 15507 1 . GLY 119 119 15507 1 . PRO 120 120 15507 1 . ASN 121 121 15507 1 . GLU 122 122 15507 1 . THR 123 123 15507 1 . LEU 124 124 15507 1 . ILE 125 125 15507 1 . PHE 126 126 15507 1 . LYS 127 127 15507 1 . ILE 128 128 15507 1 . HIS 129 129 15507 1 . LEU 130 130 15507 1 . ILE 131 131 15507 1 . SER 132 132 15507 1 . VAL 133 133 15507 1 . LYS 134 134 15507 1 . LYS 135 135 15507 1 . SER 136 136 15507 1 . SER 137 137 15507 1 stop_ save_ save_entity_RAP _Entity.Sf_category entity _Entity.Sf_framecode entity_RAP _Entity.Entry_ID 15507 _Entity.ID 2 _Entity.BMRB_code RAP _Entity.Name 'RAPAMYCIN IMMUNOSUPPRESSANT DRUG' _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 . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID RAP _Entity.Nonpolymer_comp_label $chem_comp_RAP _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 914.172 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'RAPAMYCIN IMMUNOSUPPRESSANT DRUG' BMRB 15507 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'RAPAMYCIN IMMUNOSUPPRESSANT DRUG' BMRB 15507 2 RAP 'Three letter code' 15507 2 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 1 RAP $chem_comp_RAP 15507 2 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 RAP C1 15507 2 2 1 RAP C10 15507 2 3 1 RAP C11 15507 2 4 1 RAP C12 15507 2 5 1 RAP C13 15507 2 6 1 RAP C14 15507 2 7 1 RAP C15 15507 2 8 1 RAP C16 15507 2 9 1 RAP C17 15507 2 10 1 RAP C18 15507 2 11 1 RAP C19 15507 2 12 1 RAP C2 15507 2 13 1 RAP C20 15507 2 14 1 RAP C21 15507 2 15 1 RAP C22 15507 2 16 1 RAP C23 15507 2 17 1 RAP C24 15507 2 18 1 RAP C25 15507 2 19 1 RAP C26 15507 2 20 1 RAP C27 15507 2 21 1 RAP C28 15507 2 22 1 RAP C29 15507 2 23 1 RAP C3 15507 2 24 1 RAP C30 15507 2 25 1 RAP C31 15507 2 26 1 RAP C32 15507 2 27 1 RAP C33 15507 2 28 1 RAP C34 15507 2 29 1 RAP C35 15507 2 30 1 RAP C36 15507 2 31 1 RAP C37 15507 2 32 1 RAP C38 15507 2 33 1 RAP C39 15507 2 34 1 RAP C4 15507 2 35 1 RAP C40 15507 2 36 1 RAP C41 15507 2 37 1 RAP C42 15507 2 38 1 RAP C43 15507 2 39 1 RAP C44 15507 2 40 1 RAP C45 15507 2 41 1 RAP C46 15507 2 42 1 RAP C47 15507 2 43 1 RAP C48 15507 2 44 1 RAP C49 15507 2 45 1 RAP C5 15507 2 46 1 RAP C50 15507 2 47 1 RAP C51 15507 2 48 1 RAP C52 15507 2 49 1 RAP C6 15507 2 50 1 RAP C8 15507 2 51 1 RAP C9 15507 2 52 1 RAP H11 15507 2 53 1 RAP H121 15507 2 54 1 RAP H122 15507 2 55 1 RAP H131 15507 2 56 1 RAP H132 15507 2 57 1 RAP H14 15507 2 58 1 RAP H151 15507 2 59 1 RAP H152 15507 2 60 1 RAP H16 15507 2 61 1 RAP H18 15507 2 62 1 RAP H19 15507 2 63 1 RAP H2 15507 2 64 1 RAP H20 15507 2 65 1 RAP H21 15507 2 66 1 RAP H22 15507 2 67 1 RAP H23 15507 2 68 1 RAP H241 15507 2 69 1 RAP H242 15507 2 70 1 RAP H25 15507 2 71 1 RAP H27 15507 2 72 1 RAP H28 15507 2 73 1 RAP H30 15507 2 74 1 RAP H31 15507 2 75 1 RAP H31A 15507 2 76 1 RAP H32 15507 2 77 1 RAP H331 15507 2 78 1 RAP H332 15507 2 79 1 RAP H34 15507 2 80 1 RAP H35 15507 2 81 1 RAP H361 15507 2 82 1 RAP H362 15507 2 83 1 RAP H37 15507 2 84 1 RAP H381 15507 2 85 1 RAP H382 15507 2 86 1 RAP H39 15507 2 87 1 RAP H40 15507 2 88 1 RAP H41 15507 2 89 1 RAP H411 15507 2 90 1 RAP H412 15507 2 91 1 RAP H42 15507 2 92 1 RAP H421 15507 2 93 1 RAP H422 15507 2 94 1 RAP H431 15507 2 95 1 RAP H432 15507 2 96 1 RAP H433 15507 2 97 1 RAP H441 15507 2 98 1 RAP H442 15507 2 99 1 RAP H443 15507 2 100 1 RAP H451 15507 2 101 1 RAP H452 15507 2 102 1 RAP H453 15507 2 103 1 RAP H461 15507 2 104 1 RAP H462 15507 2 105 1 RAP H463 15507 2 106 1 RAP H471 15507 2 107 1 RAP H472 15507 2 108 1 RAP H473 15507 2 109 1 RAP H481 15507 2 110 1 RAP H482 15507 2 111 1 RAP H483 15507 2 112 1 RAP H491 15507 2 113 1 RAP H492 15507 2 114 1 RAP H493 15507 2 115 1 RAP H501 15507 2 116 1 RAP H502 15507 2 117 1 RAP H503 15507 2 118 1 RAP H51 15507 2 119 1 RAP H511 15507 2 120 1 RAP H512 15507 2 121 1 RAP H513 15507 2 122 1 RAP H52 15507 2 123 1 RAP H521 15507 2 124 1 RAP H522 15507 2 125 1 RAP H523 15507 2 126 1 RAP H61 15507 2 127 1 RAP H62 15507 2 128 1 RAP HO1 15507 2 129 1 RAP HO3 15507 2 130 1 RAP HO6 15507 2 131 1 RAP N7 15507 2 132 1 RAP O1 15507 2 133 1 RAP O10 15507 2 134 1 RAP O11 15507 2 135 1 RAP O12 15507 2 136 1 RAP O13 15507 2 137 1 RAP O2 15507 2 138 1 RAP O3 15507 2 139 1 RAP O4 15507 2 140 1 RAP O5 15507 2 141 1 RAP O6 15507 2 142 1 RAP O7 15507 2 143 1 RAP O8 15507 2 144 1 RAP O9 15507 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 15507 _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 $Mip_protein . 446 organism . 'Legionella pneumophila' 'Legionella pneumophila' . . Bacteria . Legionella pneumophila . . . . . . . . . . . . . . . . . . 'Surface protein' . . 15507 1 2 2 $entity_RAP . 1912 organism . 'Streptomyces hygroscopicus' 'Streptomyces hygroscopicus' . . Bacteria . Streptomyces hygroscopicus . . . . . . . . . . . . . . . . . . 'Immunosuppressant drug' . . 15507 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 15507 _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 $Mip_protein . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . 'vector pBC KS(+)' . . . . . . 15507 1 2 2 $entity_RAP . 'obtained from a vendor' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15507 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_RAP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_RAP _Chem_comp.Entry_ID 15507 _Chem_comp.ID RAP _Chem_comp.Provenance PDB _Chem_comp.Name 'RAPAMYCIN IMMUNOSUPPRESSANT DRUG' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code RAP _Chem_comp.PDB_code RAP _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code RAP _Chem_comp.Number_atoms_all 144 _Chem_comp.Number_atoms_nh 65 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C51H79NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-10)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,31-17+,35-25+/t30-,32-,33-,34-,36-,37+,38+,39+,40-,42+,43+,44-,46-,47+,51-/m1/s1 _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 'C51 H79 N O13' _Chem_comp.Formula_weight 914.172 _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 1FKL _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _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 CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)O)C)C)O)OC)C)C)C)OC SMILES 'OpenEye OEToolkits' 1.5.0 15507 RAP C[C@@H]1CC[C@H]2C[C@@H](C(=CC=C\C=C\[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)C)OC SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 15507 RAP CO[C@@H]1C[C@@H](CC[C@H]1O)C[C@@H](C)[C@@H]2CC(=O)[C@H](C)/C=C(C)/[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C(C)/[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N4CCCC[C@H]4C(=O)O2)OC SMILES_CANONICAL CACTVS 3.341 15507 RAP CO[CH]1C[CH](CC[CH]1O)C[CH](C)[CH]2CC(=O)[CH](C)C=C(C)[CH](O)[CH](OC)C(=O)[CH](C)C[CH](C)C=CC=CC=C(C)[CH](C[CH]3CC[CH](C)[C](O)(O3)C(=O)C(=O)N4CCCC[CH]4C(=O)O2)OC SMILES CACTVS 3.341 15507 RAP InChI=1S/C51H79NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-10)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,31-17+,35-25+/t30-,32-,33-,34-,36-,37+,38+,39+,40-,42+,43+,44-,46-,47+,51-/m1/s1 InChI InChI 1.03 15507 RAP O=C2C(C)CC(C=CC=CC=C(C)C(OC)CC4OC(O)(C(=O)C(=O)N3C(C(=O)OC(C(C)CC1CCC(O)C(OC)C1)CC(=O)C(C=C(C)C(O)C2OC)C)CCCC3)C(CC4)C)C SMILES ACDLabs 10.04 15507 RAP QFJCIRLUMZQUOT-HPLJOQBZSA-N InChIKey InChI 1.03 15507 RAP 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 (3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,34aS)-9,27-dihydroxy-3-{(1R)-2-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-methylethyl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-hexadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,5,11,28,29(4H,6H,31H)-pentone 'SYSTEMATIC NAME' ACDLabs 10.04 15507 RAP stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C1 C1 C1 C1 . C . . N 0 . . . 1 no no . . . . -18.170 . -8.490 . -12.929 . -0.484 -1.683 2.683 1 . 15507 RAP C10 C10 C10 C10 . C . . R 0 . . . 1 no no . . . . -20.861 . -7.591 . -17.528 . 4.791 -0.311 2.930 14 . 15507 RAP C11 C11 C11 C11 . C . . R 0 . . . 1 no no . . . . -19.572 . -8.290 . -18.154 . 6.159 -0.840 3.375 17 . 15507 RAP C12 C12 C12 C12 . C . . N 0 . . . 1 no no . . . . -19.990 . -9.636 . -18.824 . 7.257 0.189 3.093 18 . 15507 RAP C13 C13 C13 C13 . C . . N 0 . . . 1 no no . . . . -20.833 . -10.480 . -17.824 . 7.185 0.558 1.602 19 . 15507 RAP C14 C14 C14 C14 . C . . S 0 . . . 1 no no . . . . -22.098 . -9.738 . -17.321 . 5.764 1.089 1.360 20 . 15507 RAP C15 C15 C15 C15 . C . . N 0 . . . 1 no no . . . . -22.878 . -10.426 . -16.163 . 5.666 1.814 0.038 21 . 15507 RAP C16 C16 C16 C16 . C . . S 0 . . . 1 no no . . . . -23.637 . -11.701 . -16.613 . 6.196 1.037 -1.164 22 . 15507 RAP C17 C17 C17 C17 . C . . N 0 . . . 1 no no . . . . -24.203 . -12.374 . -15.343 . 5.434 1.514 -2.380 24 . 15507 RAP C18 C18 C18 C18 . C . . N 0 . . . 1 no no . . . . -23.631 . -13.544 . -14.933 . 4.730 0.700 -3.151 25 . 15507 RAP C19 C19 C19 C19 . C . . N 0 . . . 1 no no . . . . -24.160 . -14.546 . -13.975 . 3.989 1.243 -4.289 26 . 15507 RAP C2 C2 C2 C2 . C . . S 0 . . . 1 no no . . . . -18.734 . -7.090 . -13.237 . 0.141 -2.297 3.893 4 . 15507 RAP C20 C20 C20 C20 . C . . N 0 . . . 1 no no . . . . -23.559 . -15.723 . -13.729 . 3.248 0.437 -5.077 27 . 15507 RAP C21 C21 C21 C21 . C . . N 0 . . . 1 no no . . . . -23.734 . -16.467 . -12.472 . 2.483 1.061 -6.158 28 . 15507 RAP C22 C22 C22 C22 . C . . N 0 . . . 1 no no . . . . -23.214 . -17.701 . -12.279 . 1.705 0.310 -6.932 29 . 15507 RAP C23 C23 C23 C23 . C . . S 0 . . . 1 no no . . . . -23.388 . -18.491 . -10.970 . 0.909 0.948 -8.040 30 . 15507 RAP C24 C24 C24 C24 . C . . N 0 . . . 1 no no . . . . -21.973 . -18.518 . -10.293 . -0.470 0.289 -8.104 31 . 15507 RAP C25 C25 C25 C25 . C . . R 0 . . . 1 no no . . . . -21.265 . -17.131 . -10.007 . -1.315 0.722 -6.904 32 . 15507 RAP C26 C26 C26 C26 . C . . N 0 . . . 1 no no . . . . -19.753 . -17.403 . -9.880 . -2.366 -0.318 -6.611 33 . 15507 RAP C27 C27 C27 C27 . C . . R 0 . . . 1 no no . . . . -18.852 . -17.364 . -11.140 . -3.269 -0.159 -5.415 35 . 15507 RAP C28 C28 C28 C28 . C . . R 0 . . . 1 no no . . . . -18.361 . -15.893 . -11.441 . -4.172 -1.381 -5.260 37 . 15507 RAP C29 C29 C29 C29 . C . . N 0 . . . 1 no no . . . . -19.447 . -15.125 . -12.201 . -4.691 -1.442 -3.839 39 . 15507 RAP C3 C3 C3 C3 . C . . N 0 . . . 1 no no . . . . -19.188 . -6.431 . -11.908 . -0.601 -1.875 5.163 5 . 15507 RAP C30 C30 C30 C30 . C . . N 0 . . . 1 no no . . . . -20.135 . -14.100 . -11.581 . -4.242 -2.383 -3.053 40 . 15507 RAP C31 C31 C31 C31 . C . . R 0 . . . 1 no no . . . . -21.156 . -13.104 . -12.208 . -4.671 -2.517 -1.614 41 . 15507 RAP C32 C32 C32 C32 . C . . N 0 . . . 1 no no . . . . -20.429 . -11.751 . -12.511 . -3.652 -1.794 -0.765 42 . 15507 RAP C33 C33 C33 C33 . C . . N 0 . . . 1 no no . . . . -19.502 . -11.738 . -13.733 . -3.308 -2.290 0.610 44 . 15507 RAP C34 C34 C34 C34 . C . . S 0 . . . 1 no no . . . . -18.236 . -10.914 . -13.507 . -2.501 -1.232 1.372 45 . 15507 RAP C35 C35 C35 C35 . C . . R 0 . . . 1 no no . . . . -17.046 . -11.243 . -14.499 . -3.453 -0.158 1.905 46 . 15507 RAP C36 C36 C36 C36 . C . . N 0 . . . 1 no no . . . . -16.246 . -12.549 . -14.196 . -2.652 0.903 2.660 47 . 15507 RAP C37 C37 C37 C37 . C . . S 0 . . . 1 no no . . . . -15.636 . -12.704 . -12.765 . -3.612 1.898 3.315 48 . 15507 RAP C38 C38 C38 C38 . C . . N 0 . . . 1 no no . . . . -14.948 . -14.101 . -12.618 . -4.426 1.183 4.396 49 . 15507 RAP C39 C39 C39 C39 . C . . R 0 . . . 1 no no . . . . -14.457 . -14.325 . -11.167 . -5.387 2.178 5.052 50 . 15507 RAP C4 C4 C4 C4 . C . . N 0 . . . 1 no no . . . . -20.585 . -6.965 . -11.442 . -0.032 -2.646 6.357 6 . 15507 RAP C40 C40 C40 C40 . C . . R 0 . . . 1 no no . . . . -13.432 . -13.209 . -10.749 . -4.588 3.318 5.685 52 . 15507 RAP C41 C41 C41 C41 . C . . N 0 . . . 1 no no . . . . -14.018 . -11.766 . -10.916 . -3.774 4.032 4.604 54 . 15507 RAP C42 C42 C42 C42 . C . . N 0 . . . 1 no no . . . . -14.696 . -11.513 . -12.284 . -2.813 3.038 3.949 55 . 15507 RAP C43 C43 C43 C43 . C . . N 0 . . . 1 no no . . . . -18.762 . -7.370 . -19.103 . 6.130 -1.115 4.884 56 . 15507 RAP C44 C44 C44 C44 . C . . N 0 . . . 1 no no . . . . -25.339 . -11.674 . -14.576 . 5.478 2.993 -2.703 57 . 15507 RAP C45 C45 C45 C45 . C . . N 0 . . . 1 no no . . . . -23.891 . -19.937 . -11.276 . 1.630 0.741 -9.374 58 . 15507 RAP C46 C46 C46 C46 . C . . N 0 . . . 1 no no . . . . -21.812 . -16.263 . -8.834 . -2.001 2.053 -7.220 59 . 15507 RAP C47 C47 C47 C47 . C . . N 0 . . . 1 no no . . . . -19.710 . -15.626 . -13.644 . -5.693 -0.421 -3.372 60 . 15507 RAP C48 C48 C48 C48 . C . . N 0 . . . 1 no no . . . . -22.322 . -12.947 . -11.164 . -4.701 -4.003 -1.236 61 . 15507 RAP C49 C49 C49 C49 . C . . N 0 . . . 1 no no . . . . -17.393 . -11.128 . -15.984 . -4.191 0.496 0.735 62 . 15507 RAP C5 C5 C5 C5 . C . . N 0 . . . 1 no no . . . . -21.615 . -6.767 . -12.591 . 1.465 -2.365 6.502 7 . 15507 RAP C50 C50 C50 C50 . C . . N 0 . . . 1 no no . . . . -25.241 . -12.389 . -18.339 . 8.148 0.150 -1.976 63 . 15507 RAP C51 C51 C51 C51 . C . . N 0 . . . 1 no no . . . . -17.420 . -19.334 . -11.708 . -2.214 1.394 -4.097 64 . 15507 RAP C52 C52 C52 C52 . C . . N 0 . . . 1 no no . . . . -14.410 . -16.520 . -10.013 . -7.411 2.173 6.132 65 . 15507 RAP C6 C6 C6 C6 . C . . N 0 . . . 1 no no . . . . -21.169 . -7.565 . -13.819 . 2.185 -2.801 5.216 8 . 15507 RAP C8 C8 C8 C8 . C . . N 0 . . . 1 no no . . . . -19.534 . -6.623 . -15.526 . 2.337 -1.171 3.428 10 . 15507 RAP C9 C9 C9 C9 . C . . N 0 . . . 1 no no . . . . -20.517 . -6.423 . -16.544 . 3.770 -1.381 3.187 12 . 15507 RAP H11 H11 H11 H11 . H . . N 0 . . . 1 no no . . . . -18.862 . -8.507 . -17.322 . 6.385 -1.765 2.846 76 . 15507 RAP H121 H121 H121 1H12 . H . . N 0 . . . 0 no no . . . . -20.521 . -9.476 . -19.791 . 8.233 -0.241 3.320 77 . 15507 RAP H122 H122 H122 2H12 . H . . N 0 . . . 0 no no . . . . -19.111 . -10.201 . -19.214 . 7.094 1.078 3.702 78 . 15507 RAP H131 H131 H131 1H13 . H . . N 0 . . . 0 no no . . . . -21.100 . -11.468 . -18.264 . 7.361 -0.324 0.989 79 . 15507 RAP H132 H132 H132 2H13 . H . . N 0 . . . 0 no no . . . . -20.207 . -10.824 . -16.968 . 7.916 1.330 1.369 80 . 15507 RAP H14 H14 H14 H14 . H . . N 0 . . . 1 no no . . . . -22.766 . -9.681 . -18.211 . 5.587 1.852 2.148 81 . 15507 RAP H151 H151 H151 1H15 . H . . N 0 . . . 0 no no . . . . -22.201 . -10.648 . -15.305 . 6.225 2.747 0.124 82 . 15507 RAP H152 H152 H152 2H15 . H . . N 0 . . . 0 no no . . . . -23.570 . -9.705 . -15.667 . 4.615 2.057 -0.135 83 . 15507 RAP H16 H16 H16 H16 . H . . N 0 . . . 1 no no . . . . -22.973 . -12.420 . -17.147 . 6.032 -0.030 -1.024 84 . 15507 RAP H18 H18 H18 H18 . H . . N 0 . . . 1 no no . . . . -22.652 . -13.693 . -15.420 . 4.688 -0.366 -2.967 85 . 15507 RAP H19 H19 H19 H19 . H . . N 0 . . . 1 no no . . . . -25.085 . -14.402 . -13.392 . 4.006 2.295 -4.542 86 . 15507 RAP H2 H2 H2 H2 . H . . N 0 . . . 1 no no . . . . -17.912 . -6.497 . -13.703 . 0.033 -3.398 3.804 66 . 15507 RAP H20 H20 H20 H20 . H . . N 0 . . . 1 no no . . . . -22.923 . -16.077 . -14.557 . 3.231 -0.625 -4.917 87 . 15507 RAP H21 H21 H21 H21 . H . . N 0 . . . 1 no no . . . . -24.296 . -16.070 . -11.610 . 2.555 2.128 -6.315 88 . 15507 RAP H22 H22 H22 H22 . H . . N 0 . . . 1 no no . . . . -22.662 . -18.054 . -13.166 . 1.655 -0.755 -6.761 89 . 15507 RAP H23 H23 H23 H23 . H . . N 0 . . . 1 no no . . . . -24.144 . -18.021 . -10.298 . 0.802 2.015 -7.847 90 . 15507 RAP H241 H241 H241 1H24 . H . . N 0 . . . 0 no no . . . . -22.030 . -19.102 . -9.345 . -0.357 -0.795 -8.094 91 . 15507 RAP H242 H242 H242 2H24 . H . . N 0 . . . 0 no no . . . . -21.290 . -19.161 . -10.895 . -0.975 0.591 -9.023 92 . 15507 RAP H25 H25 H25 H25 . H . . N 0 . . . 1 no no . . . . -21.507 . -16.474 . -10.874 . -0.676 0.845 -6.030 93 . 15507 RAP H27 H27 H27 H27 . H . . N 0 . . . 1 no no . . . . -19.436 . -17.740 . -12.011 . -3.886 0.728 -5.547 94 . 15507 RAP H28 H28 H28 H28 . H . . N 0 . . . 1 no no . . . . -17.449 . -15.924 . -12.082 . -3.604 -2.286 -5.473 95 . 15507 RAP H30 H30 H30 H30 . H . . N 0 . . . 1 no no . . . . -19.850 . -14.075 . -10.515 . -3.530 -3.098 -3.454 97 . 15507 RAP H31 H31 H31 H31 . H . . N 0 . . . 1 no no . . . . -21.575 . -13.464 . -13.176 . -5.658 -2.093 -1.448 98 . 15507 RAP H31A H31A H31A 1H3 . H . . N 0 . . . 0 no no . . . . -18.419 . -6.554 . -11.110 . -1.659 -2.105 5.052 67 . 15507 RAP H32 H32 H32 2H3 . H . . N 0 . . . 1 no no . . . . -19.183 . -5.318 . -11.983 . -0.470 -0.807 5.321 68 . 15507 RAP H331 H331 H331 1H33 . H . . N 0 . . . 0 no no . . . . -19.250 . -12.775 . -14.054 . -2.707 -3.198 0.533 99 . 15507 RAP H332 H332 H332 2H33 . H . . N 0 . . . 0 no no . . . . -20.045 . -11.392 . -14.643 . -4.220 -2.506 1.165 100 . 15507 RAP H34 H34 H34 H34 . H . . N 0 . . . 1 no no . . . . -17.860 . -11.130 . -12.479 . -1.779 -0.777 0.698 101 . 15507 RAP H35 H35 H35 H35 . H . . N 0 . . . 1 no no . . . . -16.343 . -10.407 . -14.271 . -4.176 -0.615 2.580 102 . 15507 RAP H361 H361 H361 1H36 . H . . N 0 . . . 0 no no . . . . -16.884 . -13.434 . -14.422 . -2.001 1.432 1.963 103 . 15507 RAP H362 H362 H362 2H36 . H . . N 0 . . . 0 no no . . . . -15.439 . -12.672 . -14.956 . -2.046 0.423 3.429 104 . 15507 RAP H37 H37 H37 H37 . H . . N 0 . . . 1 no no . . . . -16.500 . -12.642 . -12.063 . -4.287 2.302 2.561 105 . 15507 RAP H381 H381 H381 1H38 . H . . N 0 . . . 0 no no . . . . -15.615 . -14.926 . -12.959 . -3.752 0.779 5.151 106 . 15507 RAP H382 H382 H382 2H38 . H . . N 0 . . . 0 no no . . . . -14.123 . -14.233 . -13.356 . -4.996 0.371 3.945 107 . 15507 RAP H39 H39 H39 H39 . H . . N 0 . . . 1 no no . . . . -15.318 . -14.258 . -10.462 . -6.062 2.582 4.297 108 . 15507 RAP H40 H40 H40 H40 . H . . N 0 . . . 1 no no . . . . -12.554 . -13.316 . -11.428 . -3.913 2.913 6.440 109 . 15507 RAP H41 H41 H41 1H4 . H . . N 0 . . . 1 no no . . . . -20.539 . -8.022 . -11.091 . -0.188 -3.714 6.203 69 . 15507 RAP H411 H411 H411 1H41 . H . . N 0 . . . 0 no no . . . . -14.720 . -11.530 . -10.082 . -3.204 4.844 5.055 111 . 15507 RAP H412 H412 H412 2H41 . H . . N 0 . . . 0 no no . . . . -13.231 . -11.000 . -10.722 . -4.448 4.437 3.849 112 . 15507 RAP H42 H42 H42 2H4 . H . . N 0 . . . 1 no no . . . . -20.920 . -6.497 . -10.486 . -0.550 -2.335 7.266 70 . 15507 RAP H421 H421 H421 1H42 . H . . N 0 . . . 0 no no . . . . -13.933 . -11.275 . -13.062 . -2.138 2.633 4.704 113 . 15507 RAP H422 H422 H422 2H42 . H . . N 0 . . . 0 no no . . . . -15.257 . -10.549 . -12.271 . -2.233 3.547 3.179 114 . 15507 RAP H431 H431 H431 1H43 . H . . N 0 . . . 0 no no . . . . -17.860 . -7.858 . -19.540 . 7.098 -1.504 5.201 115 . 15507 RAP H432 H432 H432 2H43 . H . . N 0 . . . 0 no no . . . . -19.416 . -6.960 . -19.907 . 5.919 -0.188 5.418 116 . 15507 RAP H433 H433 H433 3H43 . H . . N 0 . . . 0 no no . . . . -18.483 . -6.421 . -18.587 . 5.354 -1.847 5.106 117 . 15507 RAP H441 H441 H441 1H44 . H . . N 0 . . . 0 no no . . . . -25.747 . -12.159 . -13.659 . 5.973 3.141 -3.662 118 . 15507 RAP H442 H442 H442 2H44 . H . . N 0 . . . 0 no no . . . . -25.016 . -10.637 . -14.321 . 4.462 3.384 -2.754 119 . 15507 RAP H443 H443 H443 3H44 . H . . N 0 . . . 0 no no . . . . -26.178 . -11.472 . -15.281 . 6.030 3.519 -1.924 120 . 15507 RAP H451 H451 H451 1H45 . H . . N 0 . . . 0 no no . . . . -24.017 . -20.509 . -10.327 . 2.614 1.209 -9.332 121 . 15507 RAP H452 H452 H452 2H45 . H . . N 0 . . . 0 no no . . . . -24.823 . -19.933 . -11.887 . 1.744 -0.326 -9.564 122 . 15507 RAP H453 H453 H453 3H45 . H . . N 0 . . . 0 no no . . . . -23.224 . -20.466 . -11.996 . 1.047 1.192 -10.176 123 . 15507 RAP H461 H461 H461 1H46 . H . . N 0 . . . 0 no no . . . . -21.313 . -15.286 . -8.632 . -2.599 2.366 -6.364 124 . 15507 RAP H462 H462 H462 2H46 . H . . N 0 . . . 0 no no . . . . -22.904 . -16.093 . -8.981 . -1.246 2.810 -7.432 125 . 15507 RAP H463 H463 H463 3H46 . H . . N 0 . . . 0 no no . . . . -21.817 . -16.871 . -7.899 . -2.648 1.931 -8.089 126 . 15507 RAP H471 H471 H471 1H47 . H . . N 0 . . . 0 no no . . . . -20.500 . -15.067 . -14.197 . -5.946 -0.612 -2.329 127 . 15507 RAP H472 H472 H472 2H47 . H . . N 0 . . . 0 no no . . . . -18.760 . -15.632 . -14.229 . -5.264 0.577 -3.465 128 . 15507 RAP H473 H473 H473 3H47 . H . . N 0 . . . 0 no no . . . . -19.941 . -16.716 . -13.637 . -6.592 -0.488 -3.983 129 . 15507 RAP H481 H481 H481 1H48 . H . . N 0 . . . 0 no no . . . . -23.052 . -12.234 . -11.612 . -5.438 -4.520 -1.851 130 . 15507 RAP H482 H482 H482 2H48 . H . . N 0 . . . 0 no no . . . . -22.779 . -13.918 . -10.863 . -3.717 -4.441 -1.404 131 . 15507 RAP H483 H483 H483 3H48 . H . . N 0 . . . 0 no no . . . . -21.970 . -12.640 . -10.151 . -4.970 -4.105 -0.185 132 . 15507 RAP H491 H491 H491 1H49 . H . . N 0 . . . 0 no no . . . . -16.555 . -11.359 . -16.682 . -3.466 0.867 0.011 133 . 15507 RAP H492 H492 H492 2H49 . H . . N 0 . . . 0 no no . . . . -18.279 . -11.761 . -16.222 . -4.838 -0.239 0.256 134 . 15507 RAP H493 H493 H493 3H49 . H . . N 0 . . . 0 no no . . . . -17.810 . -10.117 . -16.204 . -4.794 1.325 1.104 135 . 15507 RAP H501 H501 H501 1H50 . H . . N 0 . . . 0 no no . . . . -26.060 . -12.080 . -19.029 . 9.215 0.306 -2.135 136 . 15507 RAP H502 H502 H502 2H50 . H . . N 0 . . . 0 no no . . . . -24.420 . -12.888 . -18.905 . 7.999 -0.722 -1.340 137 . 15507 RAP H503 H503 H503 3H50 . H . . N 0 . . . 0 no no . . . . -25.572 . -13.237 . -17.696 . 7.658 -0.012 -2.936 138 . 15507 RAP H51 H51 H51 1H5 . H . . N 0 . . . 1 no no . . . . -22.653 . -7.024 . -12.275 . 1.862 -2.924 7.350 71 . 15507 RAP H511 H511 H511 1H51 . H . . N 0 . . . 0 no no . . . . -16.517 . -19.958 . -11.507 . -1.603 1.563 -3.210 139 . 15507 RAP H512 H512 H512 2H51 . H . . N 0 . . . 0 no no . . . . -18.321 . -19.990 . -11.692 . -1.686 1.760 -4.977 140 . 15507 RAP H513 H513 H513 3H51 . H . . N 0 . . . 0 no no . . . . -17.403 . -19.011 . -12.775 . -3.160 1.926 -3.993 141 . 15507 RAP H52 H52 H52 2H5 . H . . N 0 . . . 1 no no . . . . -21.782 . -5.690 . -12.826 . 1.624 -1.297 6.664 72 . 15507 RAP H521 H521 H521 1H52 . H . . N 0 . . . 0 no no . . . . -13.959 . -17.537 . -9.937 . -8.029 1.697 6.893 142 . 15507 RAP H522 H522 H522 2H52 . H . . N 0 . . . 0 no no . . . . -14.345 . -16.000 . -9.028 . -7.259 3.221 6.391 143 . 15507 RAP H523 H523 H523 3H52 . H . . N 0 . . . 0 no no . . . . -15.516 . -16.600 . -10.122 . -7.911 2.107 5.165 144 . 15507 RAP H61 H61 H61 1H6 . H . . N 0 . . . 1 no no . . . . -21.174 . -8.664 . -13.633 . 2.031 -3.862 5.043 73 . 15507 RAP H62 H62 H62 2H6 . H . . N 0 . . . 1 no no . . . . -21.925 . -7.539 . -14.637 . 3.244 -2.572 5.287 74 . 15507 RAP HO1 HO1 HO1 HO1 . H . . N 0 . . . 1 no no . . . . -17.730 . -14.360 . -10.406 . -5.821 -2.066 -6.025 96 . 15507 RAP HO3 HO3 HO3 HO3 . H . . N 0 . . . 1 no no . . . . -12.416 . -12.706 . -9.125 . -4.942 4.947 6.683 110 . 15507 RAP HO6 HO6 HO6 HO6 . H . . N 0 . . . 1 no no . . . . -21.921 . -7.807 . -19.158 . 3.603 1.151 3.417 75 . 15507 RAP N7 N7 N7 N7 . N . . N 0 . . . 1 no no . . . . -19.834 . -7.074 . -14.268 . 1.568 -2.021 4.111 9 . 15507 RAP O1 O1 O1 O1 . O . . N 0 . . . 1 no no . . . . -18.628 . -9.534 . -13.762 . -1.810 -1.848 2.486 2 . 15507 RAP O10 O10 O10 O10 . O . . N 0 . . . 1 no no . . . . -18.026 . -15.245 . -10.225 . -5.276 -1.278 -6.160 38 . 15507 RAP O11 O11 O11 O11 . O . . N 0 . . . 1 no no . . . . -20.653 . -10.737 . -11.874 . -3.104 -0.807 -1.204 43 . 15507 RAP O12 O12 O12 O12 . O . . N 0 . . . 1 no no . . . . -13.863 . -15.665 . -11.068 . -6.147 1.511 6.061 51 . 15507 RAP O13 O13 O13 O13 . O . . N 0 . . . 1 no no . . . . -13.036 . -13.381 . -9.378 . -5.485 4.246 6.297 53 . 15507 RAP O2 O2 O2 O2 . O . . N 0 . . . 1 no no . . . . -17.418 . -8.687 . -12.023 . 0.157 -1.068 1.870 3 . 15507 RAP O3 O3 O3 O3 . O . . N 0 . . . 1 no no . . . . -18.370 . -6.282 . -15.811 . 1.855 -0.119 3.062 11 . 15507 RAP O4 O4 O4 O4 . O . . N 0 . . . 1 no no . . . . -21.160 . -5.371 . -16.642 . 4.152 -2.528 3.168 13 . 15507 RAP O5 O5 O5 O5 . O . . N 0 . . . 1 no no . . . . -21.671 . -8.493 . -16.753 . 4.823 0.047 1.552 15 . 15507 RAP O6 O6 O6 O6 . O . . N 0 . . . 1 no no . . . . -21.713 . -7.099 . -18.561 . 4.468 0.840 3.719 16 . 15507 RAP O7 O7 O7 O7 . O . . N 0 . . . 1 no no . . . . -24.705 . -11.299 . -17.514 . 7.587 1.302 -1.344 23 . 15507 RAP O8 O8 O8 O8 . O . . N 0 . . . 1 no no . . . . -19.314 . -17.834 . -8.829 . -2.480 -1.280 -7.331 34 . 15507 RAP O9 O9 O9 O9 . O . . N 0 . . . 1 no no . . . . -17.671 . -18.181 . -10.878 . -2.468 -0.004 -4.241 36 . 15507 RAP stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING C1 O1 no N 1 . 15507 RAP 2 . DOUB C1 O2 no N 2 . 15507 RAP 3 . SING C1 C2 no N 3 . 15507 RAP 4 . SING O1 C34 no N 4 . 15507 RAP 5 . SING C2 C3 no N 5 . 15507 RAP 6 . SING C2 N7 no N 6 . 15507 RAP 7 . SING C2 H2 no N 7 . 15507 RAP 8 . SING C3 C4 no N 8 . 15507 RAP 9 . SING C3 H31A no N 9 . 15507 RAP 10 . SING C3 H32 no N 10 . 15507 RAP 11 . SING C4 C5 no N 11 . 15507 RAP 12 . SING C4 H41 no N 12 . 15507 RAP 13 . SING C4 H42 no N 13 . 15507 RAP 14 . SING C5 C6 no N 14 . 15507 RAP 15 . SING C5 H51 no N 15 . 15507 RAP 16 . SING C5 H52 no N 16 . 15507 RAP 17 . SING C6 N7 no N 17 . 15507 RAP 18 . SING C6 H61 no N 18 . 15507 RAP 19 . SING C6 H62 no N 19 . 15507 RAP 20 . SING N7 C8 no N 20 . 15507 RAP 21 . DOUB C8 O3 no N 21 . 15507 RAP 22 . SING C8 C9 no N 22 . 15507 RAP 23 . DOUB C9 O4 no N 23 . 15507 RAP 24 . SING C9 C10 no N 24 . 15507 RAP 25 . SING C10 O5 no N 25 . 15507 RAP 26 . SING C10 O6 no N 26 . 15507 RAP 27 . SING C10 C11 no N 27 . 15507 RAP 28 . SING O5 C14 no N 28 . 15507 RAP 29 . SING O6 HO6 no N 29 . 15507 RAP 30 . SING C11 C12 no N 30 . 15507 RAP 31 . SING C11 C43 no N 31 . 15507 RAP 32 . SING C11 H11 no N 32 . 15507 RAP 33 . SING C12 C13 no N 33 . 15507 RAP 34 . SING C12 H121 no N 34 . 15507 RAP 35 . SING C12 H122 no N 35 . 15507 RAP 36 . SING C13 C14 no N 36 . 15507 RAP 37 . SING C13 H131 no N 37 . 15507 RAP 38 . SING C13 H132 no N 38 . 15507 RAP 39 . SING C14 C15 no N 39 . 15507 RAP 40 . SING C14 H14 no N 40 . 15507 RAP 41 . SING C15 C16 no N 41 . 15507 RAP 42 . SING C15 H151 no N 42 . 15507 RAP 43 . SING C15 H152 no N 43 . 15507 RAP 44 . SING C16 O7 no N 44 . 15507 RAP 45 . SING C16 C17 no N 45 . 15507 RAP 46 . SING C16 H16 no N 46 . 15507 RAP 47 . SING O7 C50 no N 47 . 15507 RAP 48 . DOUB C17 C18 no E 48 . 15507 RAP 49 . SING C17 C44 no N 49 . 15507 RAP 50 . SING C18 C19 no N 50 . 15507 RAP 51 . SING C18 H18 no N 51 . 15507 RAP 52 . DOUB C19 C20 no E 52 . 15507 RAP 53 . SING C19 H19 no N 53 . 15507 RAP 54 . SING C20 C21 no N 54 . 15507 RAP 55 . SING C20 H20 no N 55 . 15507 RAP 56 . DOUB C21 C22 no E 56 . 15507 RAP 57 . SING C21 H21 no N 57 . 15507 RAP 58 . SING C22 C23 no N 58 . 15507 RAP 59 . SING C22 H22 no N 59 . 15507 RAP 60 . SING C23 C24 no N 60 . 15507 RAP 61 . SING C23 C45 no N 61 . 15507 RAP 62 . SING C23 H23 no N 62 . 15507 RAP 63 . SING C24 C25 no N 63 . 15507 RAP 64 . SING C24 H241 no N 64 . 15507 RAP 65 . SING C24 H242 no N 65 . 15507 RAP 66 . SING C25 C26 no N 66 . 15507 RAP 67 . SING C25 C46 no N 67 . 15507 RAP 68 . SING C25 H25 no N 68 . 15507 RAP 69 . DOUB C26 O8 no N 69 . 15507 RAP 70 . SING C26 C27 no N 70 . 15507 RAP 71 . SING C27 O9 no N 71 . 15507 RAP 72 . SING C27 C28 no N 72 . 15507 RAP 73 . SING C27 H27 no N 73 . 15507 RAP 74 . SING O9 C51 no N 74 . 15507 RAP 75 . SING C28 O10 no N 75 . 15507 RAP 76 . SING C28 C29 no N 76 . 15507 RAP 77 . SING C28 H28 no N 77 . 15507 RAP 78 . SING O10 HO1 no N 78 . 15507 RAP 79 . DOUB C29 C30 no E 79 . 15507 RAP 80 . SING C29 C47 no N 80 . 15507 RAP 81 . SING C30 C31 no N 81 . 15507 RAP 82 . SING C30 H30 no N 82 . 15507 RAP 83 . SING C31 C32 no N 83 . 15507 RAP 84 . SING C31 C48 no N 84 . 15507 RAP 85 . SING C31 H31 no N 85 . 15507 RAP 86 . DOUB C32 O11 no N 86 . 15507 RAP 87 . SING C32 C33 no N 87 . 15507 RAP 88 . SING C33 C34 no N 88 . 15507 RAP 89 . SING C33 H331 no N 89 . 15507 RAP 90 . SING C33 H332 no N 90 . 15507 RAP 91 . SING C34 C35 no N 91 . 15507 RAP 92 . SING C34 H34 no N 92 . 15507 RAP 93 . SING C35 C36 no N 93 . 15507 RAP 94 . SING C35 C49 no N 94 . 15507 RAP 95 . SING C35 H35 no N 95 . 15507 RAP 96 . SING C36 C37 no N 96 . 15507 RAP 97 . SING C36 H361 no N 97 . 15507 RAP 98 . SING C36 H362 no N 98 . 15507 RAP 99 . SING C37 C38 no N 99 . 15507 RAP 100 . SING C37 C42 no N 100 . 15507 RAP 101 . SING C37 H37 no N 101 . 15507 RAP 102 . SING C38 C39 no N 102 . 15507 RAP 103 . SING C38 H381 no N 103 . 15507 RAP 104 . SING C38 H382 no N 104 . 15507 RAP 105 . SING C39 O12 no N 105 . 15507 RAP 106 . SING C39 C40 no N 106 . 15507 RAP 107 . SING C39 H39 no N 107 . 15507 RAP 108 . SING O12 C52 no N 108 . 15507 RAP 109 . SING C40 O13 no N 109 . 15507 RAP 110 . SING C40 C41 no N 110 . 15507 RAP 111 . SING C40 H40 no N 111 . 15507 RAP 112 . SING O13 HO3 no N 112 . 15507 RAP 113 . SING C41 C42 no N 113 . 15507 RAP 114 . SING C41 H411 no N 114 . 15507 RAP 115 . SING C41 H412 no N 115 . 15507 RAP 116 . SING C42 H421 no N 116 . 15507 RAP 117 . SING C42 H422 no N 117 . 15507 RAP 118 . SING C43 H431 no N 118 . 15507 RAP 119 . SING C43 H432 no N 119 . 15507 RAP 120 . SING C43 H433 no N 120 . 15507 RAP 121 . SING C44 H441 no N 121 . 15507 RAP 122 . SING C44 H442 no N 122 . 15507 RAP 123 . SING C44 H443 no N 123 . 15507 RAP 124 . SING C45 H451 no N 124 . 15507 RAP 125 . SING C45 H452 no N 125 . 15507 RAP 126 . SING C45 H453 no N 126 . 15507 RAP 127 . SING C46 H461 no N 127 . 15507 RAP 128 . SING C46 H462 no N 128 . 15507 RAP 129 . SING C46 H463 no N 129 . 15507 RAP 130 . SING C47 H471 no N 130 . 15507 RAP 131 . SING C47 H472 no N 131 . 15507 RAP 132 . SING C47 H473 no N 132 . 15507 RAP 133 . SING C48 H481 no N 133 . 15507 RAP 134 . SING C48 H482 no N 134 . 15507 RAP 135 . SING C48 H483 no N 135 . 15507 RAP 136 . SING C49 H491 no N 136 . 15507 RAP 137 . SING C49 H492 no N 137 . 15507 RAP 138 . SING C49 H493 no N 138 . 15507 RAP 139 . SING C50 H501 no N 139 . 15507 RAP 140 . SING C50 H502 no N 140 . 15507 RAP 141 . SING C50 H503 no N 141 . 15507 RAP 142 . SING C51 H511 no N 142 . 15507 RAP 143 . SING C51 H512 no N 143 . 15507 RAP 144 . SING C51 H513 no N 144 . 15507 RAP 145 . SING C52 H521 no N 145 . 15507 RAP 146 . SING C52 H522 no N 146 . 15507 RAP 147 . SING C52 H523 no N 147 . 15507 RAP stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_complex _Sample.Sf_category sample _Sample.Sf_framecode complex _Sample.Entry_ID 15507 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1:1 complex of rapamycin and Mip77-213 dissolved in 20 mM potassium phosphate buffer' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90 % H2O and 10 % D2O at pH 6.5' _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 'Mip protein' '[U-98% 13C; U-98% 15N]' . . 1 $Mip_protein . . 2 . . mM . . . . 15507 1 2 Rapamycin 'natural abundance' . . 2 $entity_RAP . . 2 . . mM . . . . 15507 1 stop_ save_ ####################### # Sample conditions # ####################### save_complex_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode complex_conditions _Sample_condition_list.Entry_ID 15507 _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 temperature 298 . K 15507 1 pH 6.5 . pH 15507 1 pressure 1 . atm 15507 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 15507 _Software.ID 1 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 15507 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15507 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15507 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15507 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15507 2 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 15507 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details CryoProbe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15507 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 15507 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 15507 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 15507 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 CryoProbe . . 15507 1 2 spectrometer_2 Bruker Avance . 800 . . . 15507 1 3 spectrometer_3 Bruker Avance . 700 . . . 15507 1 4 spectrometer_4 Bruker Avance . 600 . . . 15507 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 15507 _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 '3D HNCO' no . . . . . . . . . . 1 $complex isotropic . . 1 $complex_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15507 1 2 '3D HNCA' no . . . . . . . . . . 1 $complex isotropic . . 1 $complex_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15507 1 3 '3D HNCACB' no . . . . . . . . . . 1 $complex isotropic . . 1 $complex_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15507 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $complex isotropic . . 1 $complex_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15507 1 5 '3D HNHA' no . . . . . . . . . . 1 $complex isotropic . . 1 $complex_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15507 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $complex isotropic . . 1 $complex_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15507 1 7 '3D C(CO)NH' no . . . . . . . . . . 1 $complex isotropic . . 1 $complex_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15507 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $complex isotropic . . 1 $complex_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15507 1 9 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $complex isotropic . . 1 $complex_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15507 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $complex isotropic . . 1 $complex_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15507 1 11 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $complex isotropic . . 1 $complex_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15507 1 12 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $complex isotropic . . 1 $complex_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15507 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 15507 _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 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15507 1 C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15507 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15507 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 15507 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $complex_conditions _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCO' . . . 15507 1 2 '3D HNCA' . . . 15507 1 3 '3D HNCACB' . . . 15507 1 4 '3D CBCA(CO)NH' . . . 15507 1 5 '3D HNHA' . . . 15507 1 6 '3D HBHA(CO)NH' . . . 15507 1 7 '3D C(CO)NH' . . . 15507 1 8 '3D HCCH-TOCSY' . . . 15507 1 9 '2D 1H-15N HSQC' . . . 15507 1 10 '3D 1H-15N NOESY' . . . 15507 1 11 '2D 1H-13C HSQC' . . . 15507 1 12 '3D 1H-13C NOESY' . . . 15507 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ASN HA H 1 4.833 . . 1 . . . . 2 N HA . 15507 1 2 . 1 1 2 2 ASN HB2 H 1 2.802 . . 2 . . . . 2 N HB1 . 15507 1 3 . 1 1 2 2 ASN HB3 H 1 2.958 . . 2 . . . . 2 N HB2 . 15507 1 4 . 1 1 2 2 ASN C C 13 174.911 . . 1 . . . . 2 N C . 15507 1 5 . 1 1 2 2 ASN CA C 13 52.823 . . 1 . . . . 2 N CA . 15507 1 6 . 1 1 2 2 ASN CB C 13 38.716 . . 1 . . . . 2 N CB . 15507 1 7 . 1 1 3 3 LYS H H 1 8.690 . . 1 . . . . 3 K HN . 15507 1 8 . 1 1 3 3 LYS HA H 1 4.413 . . 1 . . . . 3 K HA . 15507 1 9 . 1 1 3 3 LYS HB2 H 1 1.760 . . 2 . . . . 3 K HB1 . 15507 1 10 . 1 1 3 3 LYS HB3 H 1 1.883 . . 2 . . . . 3 K HB2 . 15507 1 11 . 1 1 3 3 LYS HD2 H 1 1.716 . . 2 . . . . 3 K HD2 . 15507 1 12 . 1 1 3 3 LYS HE2 H 1 2.983 . . 2 . . . . 3 K HE1 . 15507 1 13 . 1 1 3 3 LYS HE3 H 1 3.095 . . 2 . . . . 3 K HE2 . 15507 1 14 . 1 1 3 3 LYS HG2 H 1 1.525 . . 2 . . . . 3 K HG2 . 15507 1 15 . 1 1 3 3 LYS C C 13 177.361 . . 1 . . . . 3 K C . 15507 1 16 . 1 1 3 3 LYS CA C 13 57.520 . . 1 . . . . 3 K CA . 15507 1 17 . 1 1 3 3 LYS CB C 13 32.940 . . 1 . . . . 3 K CB . 15507 1 18 . 1 1 3 3 LYS CD C 13 29.184 . . 1 . . . . 3 K CD . 15507 1 19 . 1 1 3 3 LYS CE C 13 42.118 . . 1 . . . . 3 K CE . 15507 1 20 . 1 1 3 3 LYS CG C 13 24.910 . . 1 . . . . 3 K CG . 15507 1 21 . 1 1 3 3 LYS N N 15 123.863 . . 1 . . . . 3 K N . 15507 1 22 . 1 1 4 4 LYS H H 1 8.421 . . 1 . . . . 4 K HN . 15507 1 23 . 1 1 4 4 LYS HA H 1 4.300 . . 1 . . . . 4 K HA . 15507 1 24 . 1 1 4 4 LYS HB2 H 1 1.819 . . 2 . . . . 4 K HB1 . 15507 1 25 . 1 1 4 4 LYS HB3 H 1 1.900 . . 2 . . . . 4 K HB2 . 15507 1 26 . 1 1 4 4 LYS HD2 H 1 1.724 . . 2 . . . . 4 K HD2 . 15507 1 27 . 1 1 4 4 LYS HE2 H 1 3.035 . . 2 . . . . 4 K HE2 . 15507 1 28 . 1 1 4 4 LYS HG2 H 1 1.466 . . 2 . . . . 4 K HG1 . 15507 1 29 . 1 1 4 4 LYS HG3 H 1 1.526 . . 2 . . . . 4 K HG2 . 15507 1 30 . 1 1 4 4 LYS C C 13 177.675 . . 1 . . . . 4 K C . 15507 1 31 . 1 1 4 4 LYS CA C 13 57.770 . . 1 . . . . 4 K CA . 15507 1 32 . 1 1 4 4 LYS CB C 13 32.090 . . 1 . . . . 4 K CB . 15507 1 33 . 1 1 4 4 LYS CD C 13 28.474 . . 1 . . . . 4 K CD . 15507 1 34 . 1 1 4 4 LYS CE C 13 42.045 . . 1 . . . . 4 K CE . 15507 1 35 . 1 1 4 4 LYS CG C 13 24.580 . . 1 . . . . 4 K CG . 15507 1 36 . 1 1 4 4 LYS N N 15 121.631 . . 1 . . . . 4 K N . 15507 1 37 . 1 1 5 5 ALA H H 1 8.275 . . 1 . . . . 5 A HN . 15507 1 38 . 1 1 5 5 ALA HA H 1 3.932 . . 1 . . . . 5 A HA . 15507 1 39 . 1 1 5 5 ALA HB1 H 1 1.429 . . 1 . . . . 5 A HB1 . 15507 1 40 . 1 1 5 5 ALA HB2 H 1 1.429 . . 1 . . . . 5 A HB1 . 15507 1 41 . 1 1 5 5 ALA HB3 H 1 1.429 . . 1 . . . . 5 A HB1 . 15507 1 42 . 1 1 5 5 ALA C C 13 179.874 . . 1 . . . . 5 A C . 15507 1 43 . 1 1 5 5 ALA CA C 13 55.280 . . 1 . . . . 5 A CA . 15507 1 44 . 1 1 5 5 ALA CB C 13 18.440 . . 1 . . . . 5 A CB . 15507 1 45 . 1 1 5 5 ALA N N 15 121.762 . . 1 . . . . 5 A N . 15507 1 46 . 1 1 6 6 ASP H H 1 8.000 . . 1 . . . . 6 D HN . 15507 1 47 . 1 1 6 6 ASP HA H 1 4.499 . . 1 . . . . 6 D HA . 15507 1 48 . 1 1 6 6 ASP HB2 H 1 2.772 . . 2 . . . . 6 D HB1 . 15507 1 49 . 1 1 6 6 ASP HB3 H 1 2.772 . . 2 . . . . 6 D HB2 . 15507 1 50 . 1 1 6 6 ASP C C 13 178.221 . . 1 . . . . 6 D C . 15507 1 51 . 1 1 6 6 ASP CA C 13 56.650 . . 1 . . . . 6 D CA . 15507 1 52 . 1 1 6 6 ASP CB C 13 40.300 . . 1 . . . . 6 D CB . 15507 1 53 . 1 1 6 6 ASP N N 15 118.832 . . 1 . . . . 6 D N . 15507 1 54 . 1 1 7 7 GLU H H 1 8.148 . . 1 . . . . 7 E HN . 15507 1 55 . 1 1 7 7 GLU HA H 1 4.112 . . 1 . . . . 7 E HA . 15507 1 56 . 1 1 7 7 GLU HB2 H 1 2.091 . . 2 . . . . 7 E HB1 . 15507 1 57 . 1 1 7 7 GLU HB3 H 1 2.171 . . 2 . . . . 7 E HB2 . 15507 1 58 . 1 1 7 7 GLU HG2 H 1 2.280 . . 2 . . . . 7 E HG1 . 15507 1 59 . 1 1 7 7 GLU HG3 H 1 2.449 . . 2 . . . . 7 E HG2 . 15507 1 60 . 1 1 7 7 GLU C C 13 178.866 . . 1 . . . . 7 E C . 15507 1 61 . 1 1 7 7 GLU CA C 13 59.010 . . 1 . . . . 7 E CA . 15507 1 62 . 1 1 7 7 GLU CB C 13 29.940 . . 1 . . . . 7 E CB . 15507 1 63 . 1 1 7 7 GLU CG C 13 36.425 . . 1 . . . . 7 E CG . 15507 1 64 . 1 1 7 7 GLU N N 15 121.345 . . 1 . . . . 7 E N . 15507 1 65 . 1 1 8 8 ASN H H 1 8.572 . . 1 . . . . 8 N HN . 15507 1 66 . 1 1 8 8 ASN HA H 1 4.556 . . 1 . . . . 8 N HA . 15507 1 67 . 1 1 8 8 ASN HB2 H 1 2.873 . . 2 . . . . 8 N HB1 . 15507 1 68 . 1 1 8 8 ASN HB3 H 1 3.042 . . 2 . . . . 8 N HB2 . 15507 1 69 . 1 1 8 8 ASN HD21 H 1 7.953 . . 2 . . . . 8 N HD21 . 15507 1 70 . 1 1 8 8 ASN HD22 H 1 7.097 . . 2 . . . . 8 N HD22 . 15507 1 71 . 1 1 8 8 ASN C C 13 178.843 . . 1 . . . . 8 N C . 15507 1 72 . 1 1 8 8 ASN CA C 13 55.320 . . 1 . . . . 8 N CA . 15507 1 73 . 1 1 8 8 ASN CB C 13 37.210 . . 1 . . . . 8 N CB . 15507 1 74 . 1 1 8 8 ASN CG C 13 176.544 . . 1 . . . . 8 N CG . 15507 1 75 . 1 1 8 8 ASN N N 15 118.568 . . 1 . . . . 8 N N . 15507 1 76 . 1 1 8 8 ASN ND2 N 15 109.952 . . 1 . . . . 8 N ND2 . 15507 1 77 . 1 1 9 9 LYS H H 1 7.772 . . 1 . . . . 9 K HN . 15507 1 78 . 1 1 9 9 LYS HA H 1 4.349 . . 1 . . . . 9 K HA . 15507 1 79 . 1 1 9 9 LYS HB2 H 1 1.938 . . 2 . . . . 9 K HB1 . 15507 1 80 . 1 1 9 9 LYS HB3 H 1 2.228 . . 2 . . . . 9 K HB2 . 15507 1 81 . 1 1 9 9 LYS HD2 H 1 1.712 . . 2 . . . . 9 K HD2 . 15507 1 82 . 1 1 9 9 LYS HE2 H 1 3.015 . . 2 . . . . 9 K HE2 . 15507 1 83 . 1 1 9 9 LYS HG2 H 1 1.456 . . 2 . . . . 9 K HG1 . 15507 1 84 . 1 1 9 9 LYS HG3 H 1 1.528 . . 2 . . . . 9 K HG2 . 15507 1 85 . 1 1 9 9 LYS C C 13 178.531 . . 1 . . . . 9 K C . 15507 1 86 . 1 1 9 9 LYS CA C 13 59.650 . . 1 . . . . 9 K CA . 15507 1 87 . 1 1 9 9 LYS CB C 13 32.960 . . 1 . . . . 9 K CB . 15507 1 88 . 1 1 9 9 LYS CD C 13 29.518 . . 1 . . . . 9 K CD . 15507 1 89 . 1 1 9 9 LYS CE C 13 41.903 . . 1 . . . . 9 K CE . 15507 1 90 . 1 1 9 9 LYS CG C 13 24.634 . . 1 . . . . 9 K CG . 15507 1 91 . 1 1 9 9 LYS N N 15 121.781 . . 1 . . . . 9 K N . 15507 1 92 . 1 1 10 10 VAL H H 1 7.760 . . 1 . . . . 10 V HN . 15507 1 93 . 1 1 10 10 VAL HA H 1 3.901 . . 1 . . . . 10 V HA . 15507 1 94 . 1 1 10 10 VAL HB H 1 2.231 . . 1 . . . . 10 V HB . 15507 1 95 . 1 1 10 10 VAL HG11 H 1 1.067 . . 2 . . . . 10 V HG11 . 15507 1 96 . 1 1 10 10 VAL HG12 H 1 1.067 . . 2 . . . . 10 V HG11 . 15507 1 97 . 1 1 10 10 VAL HG13 H 1 1.067 . . 2 . . . . 10 V HG11 . 15507 1 98 . 1 1 10 10 VAL HG21 H 1 1.167 . . 2 . . . . 10 V HG21 . 15507 1 99 . 1 1 10 10 VAL HG22 H 1 1.167 . . 2 . . . . 10 V HG21 . 15507 1 100 . 1 1 10 10 VAL HG23 H 1 1.167 . . 2 . . . . 10 V HG21 . 15507 1 101 . 1 1 10 10 VAL C C 13 179.319 . . 1 . . . . 10 V C . 15507 1 102 . 1 1 10 10 VAL CA C 13 66.030 . . 1 . . . . 10 V CA . 15507 1 103 . 1 1 10 10 VAL CB C 13 32.060 . . 1 . . . . 10 V CB . 15507 1 104 . 1 1 10 10 VAL CG1 C 13 20.966 . . 1 . . . . 10 V CG1 . 15507 1 105 . 1 1 10 10 VAL CG2 C 13 22.078 . . 1 . . . . 10 V CG2 . 15507 1 106 . 1 1 10 10 VAL N N 15 118.607 . . 1 . . . . 10 V N . 15507 1 107 . 1 1 11 11 LYS H H 1 8.513 . . 1 . . . . 11 K HN . 15507 1 108 . 1 1 11 11 LYS HA H 1 4.219 . . 1 . . . . 11 K HA . 15507 1 109 . 1 1 11 11 LYS HB2 H 1 1.933 . . 2 . . . . 11 K HB1 . 15507 1 110 . 1 1 11 11 LYS HB3 H 1 2.027 . . 2 . . . . 11 K HB2 . 15507 1 111 . 1 1 11 11 LYS HD2 H 1 1.565 . . 2 . . . . 11 K HD1 . 15507 1 112 . 1 1 11 11 LYS HD3 H 1 1.773 . . 2 . . . . 11 K HD2 . 15507 1 113 . 1 1 11 11 LYS HE2 H 1 3.039 . . 2 . . . . 11 K HE2 . 15507 1 114 . 1 1 11 11 LYS HG2 H 1 1.810 . . 2 . . . . 11 K HG2 . 15507 1 115 . 1 1 11 11 LYS C C 13 180.390 . . 1 . . . . 11 K C . 15507 1 116 . 1 1 11 11 LYS CA C 13 59.680 . . 1 . . . . 11 K CA . 15507 1 117 . 1 1 11 11 LYS CB C 13 32.600 . . 1 . . . . 11 K CB . 15507 1 118 . 1 1 11 11 LYS CD C 13 25.568 . . 1 . . . . 11 K CD . 15507 1 119 . 1 1 11 11 LYS CE C 13 41.925 . . 1 . . . . 11 K CE . 15507 1 120 . 1 1 11 11 LYS N N 15 120.739 . . 1 . . . . 11 K N . 15507 1 121 . 1 1 12 12 GLY H H 1 8.414 . . 1 . . . . 12 G HN . 15507 1 122 . 1 1 12 12 GLY HA2 H 1 3.977 . . 2 . . . . 12 G HA1 . 15507 1 123 . 1 1 12 12 GLY HA3 H 1 4.402 . . 2 . . . . 12 G HA2 . 15507 1 124 . 1 1 12 12 GLY C C 13 175.802 . . 1 . . . . 12 G C . 15507 1 125 . 1 1 12 12 GLY CA C 13 48.020 . . 1 . . . . 12 G CA . 15507 1 126 . 1 1 12 12 GLY N N 15 109.365 . . 1 . . . . 12 G N . 15507 1 127 . 1 1 13 13 GLU H H 1 8.185 . . 1 . . . . 13 E HN . 15507 1 128 . 1 1 13 13 GLU HA H 1 4.179 . . 1 . . . . 13 E HA . 15507 1 129 . 1 1 13 13 GLU HB2 H 1 2.124 . . 2 . . . . 13 E HB1 . 15507 1 130 . 1 1 13 13 GLU HB3 H 1 2.216 . . 2 . . . . 13 E HB2 . 15507 1 131 . 1 1 13 13 GLU HG2 H 1 2.379 . . 2 . . . . 13 E HG1 . 15507 1 132 . 1 1 13 13 GLU HG3 H 1 2.588 . . 2 . . . . 13 E HG2 . 15507 1 133 . 1 1 13 13 GLU C C 13 179.797 . . 1 . . . . 13 E C . 15507 1 134 . 1 1 13 13 GLU CA C 13 59.660 . . 1 . . . . 13 E CA . 15507 1 135 . 1 1 13 13 GLU CB C 13 29.040 . . 1 . . . . 13 E CB . 15507 1 136 . 1 1 13 13 GLU CG C 13 36.777 . . 1 . . . . 13 E CG . 15507 1 137 . 1 1 13 13 GLU N N 15 120.915 . . 1 . . . . 13 E N . 15507 1 138 . 1 1 14 14 ALA H H 1 8.338 . . 1 . . . . 14 A HN . 15507 1 139 . 1 1 14 14 ALA HA H 1 4.223 . . 1 . . . . 14 A HA . 15507 1 140 . 1 1 14 14 ALA HB1 H 1 1.609 . . 1 . . . . 14 A HB1 . 15507 1 141 . 1 1 14 14 ALA HB2 H 1 1.609 . . 1 . . . . 14 A HB1 . 15507 1 142 . 1 1 14 14 ALA HB3 H 1 1.609 . . 1 . . . . 14 A HB1 . 15507 1 143 . 1 1 14 14 ALA C C 13 180.402 . . 1 . . . . 14 A C . 15507 1 144 . 1 1 14 14 ALA CA C 13 55.310 . . 1 . . . . 14 A CA . 15507 1 145 . 1 1 14 14 ALA CB C 13 17.800 . . 1 . . . . 14 A CB . 15507 1 146 . 1 1 14 14 ALA N N 15 123.152 . . 1 . . . . 14 A N . 15507 1 147 . 1 1 15 15 PHE H H 1 8.110 . . 1 . . . . 15 F HN . 15507 1 148 . 1 1 15 15 PHE HA H 1 4.244 . . 1 . . . . 15 F HA . 15507 1 149 . 1 1 15 15 PHE HB2 H 1 3.416 . . 2 . . . . 15 F HB2 . 15507 1 150 . 1 1 15 15 PHE HD1 H 1 7.223 . . 3 . . . . 15 F HD1 . 15507 1 151 . 1 1 15 15 PHE HE1 H 1 7.201 . . 3 . . . . 15 F HE1 . 15507 1 152 . 1 1 15 15 PHE HZ H 1 6.811 . . 1 . . . . 15 F HZ . 15507 1 153 . 1 1 15 15 PHE C C 13 174.677 . . 1 . . . . 15 F C . 15507 1 154 . 1 1 15 15 PHE CA C 13 61.630 . . 1 . . . . 15 F CA . 15507 1 155 . 1 1 15 15 PHE CB C 13 39.340 . . 1 . . . . 15 F CB . 15507 1 156 . 1 1 15 15 PHE CD1 C 13 132.223 . . 3 . . . . 15 F CD1 . 15507 1 157 . 1 1 15 15 PHE CE1 C 13 130.376 . . 3 . . . . 15 F CE1 . 15507 1 158 . 1 1 15 15 PHE CZ C 13 129.490 . . 1 . . . . 15 F CZ . 15507 1 159 . 1 1 15 15 PHE N N 15 119.571 . . 1 . . . . 15 F N . 15507 1 160 . 1 1 16 16 LEU H H 1 8.476 . . 1 . . . . 16 L HN . 15507 1 161 . 1 1 16 16 LEU HA H 1 3.781 . . 1 . . . . 16 L HA . 15507 1 162 . 1 1 16 16 LEU HB2 H 1 1.564 . . 2 . . . . 16 L HB1 . 15507 1 163 . 1 1 16 16 LEU HB3 H 1 2.067 . . 2 . . . . 16 L HB2 . 15507 1 164 . 1 1 16 16 LEU HD11 H 1 1.049 . . 2 . . . . 16 L HD11 . 15507 1 165 . 1 1 16 16 LEU HD12 H 1 1.049 . . 2 . . . . 16 L HD11 . 15507 1 166 . 1 1 16 16 LEU HD13 H 1 1.049 . . 2 . . . . 16 L HD11 . 15507 1 167 . 1 1 16 16 LEU HD21 H 1 0.867 . . 2 . . . . 16 L HD21 . 15507 1 168 . 1 1 16 16 LEU HD22 H 1 0.867 . . 2 . . . . 16 L HD21 . 15507 1 169 . 1 1 16 16 LEU HD23 H 1 0.867 . . 2 . . . . 16 L HD21 . 15507 1 170 . 1 1 16 16 LEU HG H 1 2.155 . . 1 . . . . 16 L HG . 15507 1 171 . 1 1 16 16 LEU C C 13 179.622 . . 1 . . . . 16 L C . 15507 1 172 . 1 1 16 16 LEU CA C 13 57.990 . . 1 . . . . 16 L CA . 15507 1 173 . 1 1 16 16 LEU CB C 13 40.660 . . 1 . . . . 16 L CB . 15507 1 174 . 1 1 16 16 LEU CD1 C 13 26.739 . . 1 . . . . 16 L CD1 . 15507 1 175 . 1 1 16 16 LEU CD2 C 13 21.711 . . 1 . . . . 16 L CD2 . 15507 1 176 . 1 1 16 16 LEU CG C 13 27.653 . . 1 . . . . 16 L CG . 15507 1 177 . 1 1 16 16 LEU N N 15 121.137 . . 1 . . . . 16 L N . 15507 1 178 . 1 1 17 17 THR H H 1 8.293 . . 1 . . . . 17 T HN . 15507 1 179 . 1 1 17 17 THR HA H 1 4.309 . . 1 . . . . 17 T HA . 15507 1 180 . 1 1 17 17 THR HB H 1 4.309 . . 1 . . . . 17 T HB . 15507 1 181 . 1 1 17 17 THR HG21 H 1 1.238 . . 1 . . . . 17 T HG21 . 15507 1 182 . 1 1 17 17 THR HG22 H 1 1.238 . . 1 . . . . 17 T HG21 . 15507 1 183 . 1 1 17 17 THR HG23 H 1 1.238 . . 1 . . . . 17 T HG21 . 15507 1 184 . 1 1 17 17 THR C C 13 175.528 . . 1 . . . . 17 T C . 15507 1 185 . 1 1 17 17 THR CA C 13 66.900 . . 1 . . . . 17 T CA . 15507 1 186 . 1 1 17 17 THR CB C 13 68.580 . . 1 . . . . 17 T CB . 15507 1 187 . 1 1 17 17 THR CG2 C 13 21.465 . . 1 . . . . 17 T CG2 . 15507 1 188 . 1 1 17 17 THR N N 15 117.438 . . 1 . . . . 17 T N . 15507 1 189 . 1 1 18 18 GLU H H 1 7.520 . . 1 . . . . 18 E HN . 15507 1 190 . 1 1 18 18 GLU HA H 1 4.061 . . 1 . . . . 18 E HA . 15507 1 191 . 1 1 18 18 GLU HB2 H 1 1.930 . . 2 . . . . 18 E HB1 . 15507 1 192 . 1 1 18 18 GLU HB3 H 1 1.999 . . 2 . . . . 18 E HB2 . 15507 1 193 . 1 1 18 18 GLU HG2 H 1 2.171 . . 2 . . . . 18 E HG1 . 15507 1 194 . 1 1 18 18 GLU HG3 H 1 2.278 . . 2 . . . . 18 E HG2 . 15507 1 195 . 1 1 18 18 GLU C C 13 179.266 . . 1 . . . . 18 E C . 15507 1 196 . 1 1 18 18 GLU CA C 13 58.340 . . 1 . . . . 18 E CA . 15507 1 197 . 1 1 18 18 GLU CB C 13 29.410 . . 1 . . . . 18 E CB . 15507 1 198 . 1 1 18 18 GLU CG C 13 36.061 . . 1 . . . . 18 E CG . 15507 1 199 . 1 1 18 18 GLU N N 15 120.657 . . 1 . . . . 18 E N . 15507 1 200 . 1 1 19 19 ASN H H 1 8.330 . . 1 . . . . 19 N HN . 15507 1 201 . 1 1 19 19 ASN HA H 1 3.880 . . 1 . . . . 19 N HA . 15507 1 202 . 1 1 19 19 ASN HB3 H 1 2.633 . . 2 . . . . 19 N HB2 . 15507 1 203 . 1 1 19 19 ASN HD22 H 1 7.867 . . 2 . . . . 19 N HD22 . 15507 1 204 . 1 1 19 19 ASN C C 13 176.197 . . 1 . . . . 19 N C . 15507 1 205 . 1 1 19 19 ASN CA C 13 55.940 . . 1 . . . . 19 N CA . 15507 1 206 . 1 1 19 19 ASN CB C 13 37.950 . . 1 . . . . 19 N CB . 15507 1 207 . 1 1 19 19 ASN N N 15 118.605 . . 1 . . . . 19 N N . 15507 1 208 . 1 1 19 19 ASN ND2 N 15 113.091 . . 1 . . . . 19 N ND2 . 15507 1 209 . 1 1 20 20 LYS H H 1 6.993 . . 1 . . . . 20 K HN . 15507 1 210 . 1 1 20 20 LYS HA H 1 3.652 . . 1 . . . . 20 K HA . 15507 1 211 . 1 1 20 20 LYS HB2 H 1 1.714 . . 2 . . . . 20 K HB1 . 15507 1 212 . 1 1 20 20 LYS HB3 H 1 1.808 . . 2 . . . . 20 K HB2 . 15507 1 213 . 1 1 20 20 LYS HD2 H 1 1.668 . . 2 . . . . 20 K HD2 . 15507 1 214 . 1 1 20 20 LYS HE2 H 1 2.965 . . 2 . . . . 20 K HE2 . 15507 1 215 . 1 1 20 20 LYS HG2 H 1 1.400 . . 2 . . . . 20 K HG1 . 15507 1 216 . 1 1 20 20 LYS HG3 H 1 1.491 . . 2 . . . . 20 K HG2 . 15507 1 217 . 1 1 20 20 LYS C C 13 175.719 . . 1 . . . . 20 K C . 15507 1 218 . 1 1 20 20 LYS CA C 13 58.230 . . 1 . . . . 20 K CA . 15507 1 219 . 1 1 20 20 LYS CB C 13 32.110 . . 1 . . . . 20 K CB . 15507 1 220 . 1 1 20 20 LYS CD C 13 29.764 . . 1 . . . . 20 K CD . 15507 1 221 . 1 1 20 20 LYS CE C 13 42.037 . . 1 . . . . 20 K CE . 15507 1 222 . 1 1 20 20 LYS CG C 13 23.745 . . 1 . . . . 20 K CG . 15507 1 223 . 1 1 20 20 LYS N N 15 111.770 . . 1 . . . . 20 K N . 15507 1 224 . 1 1 21 21 ASN H H 1 7.060 . . 1 . . . . 21 N HN . 15507 1 225 . 1 1 21 21 ASN HA H 1 4.841 . . 1 . . . . 21 N HA . 15507 1 226 . 1 1 21 21 ASN HB2 H 1 2.647 . . 2 . . . . 21 N HB1 . 15507 1 227 . 1 1 21 21 ASN HB3 H 1 2.982 . . 2 . . . . 21 N HB2 . 15507 1 228 . 1 1 21 21 ASN HD21 H 1 7.529 . . 2 . . . . 21 N HD21 . 15507 1 229 . 1 1 21 21 ASN HD22 H 1 6.830 . . 2 . . . . 21 N HD22 . 15507 1 230 . 1 1 21 21 ASN C C 13 175.616 . . 1 . . . . 21 N C . 15507 1 231 . 1 1 21 21 ASN CA C 13 52.540 . . 1 . . . . 21 N CA . 15507 1 232 . 1 1 21 21 ASN CB C 13 39.330 . . 1 . . . . 21 N CB . 15507 1 233 . 1 1 21 21 ASN CG C 13 177.812 . . 1 . . . . 21 N CG . 15507 1 234 . 1 1 21 21 ASN N N 15 113.639 . . 1 . . . . 21 N N . 15507 1 235 . 1 1 21 21 ASN ND2 N 15 111.257 . . 1 . . . . 21 N ND2 . 15507 1 236 . 1 1 22 22 LYS H H 1 7.479 . . 1 . . . . 22 K HN . 15507 1 237 . 1 1 22 22 LYS HA H 1 4.415 . . 1 . . . . 22 K HA . 15507 1 238 . 1 1 22 22 LYS HB2 H 1 1.692 . . 2 . . . . 22 K HB1 . 15507 1 239 . 1 1 22 22 LYS HB3 H 1 1.850 . . 2 . . . . 22 K HB2 . 15507 1 240 . 1 1 22 22 LYS HD2 H 1 1.624 . . 2 . . . . 22 K HD2 . 15507 1 241 . 1 1 22 22 LYS HE2 H 1 2.920 . . 2 . . . . 22 K HE1 . 15507 1 242 . 1 1 22 22 LYS HE3 H 1 2.851 . . 2 . . . . 22 K HE2 . 15507 1 243 . 1 1 22 22 LYS HG2 H 1 1.356 . . 2 . . . . 22 K HG1 . 15507 1 244 . 1 1 22 22 LYS HG3 H 1 1.557 . . 2 . . . . 22 K HG2 . 15507 1 245 . 1 1 22 22 LYS CA C 13 54.700 . . 1 . . . . 22 K CA . 15507 1 246 . 1 1 22 22 LYS CB C 13 30.650 . . 1 . . . . 22 K CB . 15507 1 247 . 1 1 22 22 LYS CD C 13 28.746 . . 1 . . . . 22 K CD . 15507 1 248 . 1 1 22 22 LYS CE C 13 42.692 . . 1 . . . . 22 K CE . 15507 1 249 . 1 1 22 22 LYS CG C 13 25.738 . . 1 . . . . 22 K CG . 15507 1 250 . 1 1 22 22 LYS N N 15 122.024 . . 1 . . . . 22 K N . 15507 1 251 . 1 1 23 23 PRO HA H 1 4.272 . . 1 . . . . 23 P HA . 15507 1 252 . 1 1 23 23 PRO HB2 H 1 1.865 . . 2 . . . . 23 P HB1 . 15507 1 253 . 1 1 23 23 PRO HB3 H 1 2.289 . . 2 . . . . 23 P HB2 . 15507 1 254 . 1 1 23 23 PRO HD2 H 1 3.592 . . 2 . . . . 23 P HD1 . 15507 1 255 . 1 1 23 23 PRO HD3 H 1 3.864 . . 2 . . . . 23 P HD2 . 15507 1 256 . 1 1 23 23 PRO HG2 H 1 2.052 . . 2 . . . . 23 P HG1 . 15507 1 257 . 1 1 23 23 PRO HG3 H 1 2.131 . . 2 . . . . 23 P HG2 . 15507 1 258 . 1 1 23 23 PRO C C 13 178.126 . . 1 . . . . 23 P C . 15507 1 259 . 1 1 23 23 PRO CA C 13 63.949 . . 1 . . . . 23 P CA . 15507 1 260 . 1 1 23 23 PRO CB C 13 31.788 . . 1 . . . . 23 P CB . 15507 1 261 . 1 1 23 23 PRO CD C 13 50.214 . . 1 . . . . 23 P CD . 15507 1 262 . 1 1 23 23 PRO CG C 13 27.651 . . 1 . . . . 23 P CG . 15507 1 263 . 1 1 24 24 GLY H H 1 8.754 . . 1 . . . . 24 G HN . 15507 1 264 . 1 1 24 24 GLY HA2 H 1 3.638 . . 2 . . . . 24 G HA1 . 15507 1 265 . 1 1 24 24 GLY HA3 H 1 4.088 . . 2 . . . . 24 G HA2 . 15507 1 266 . 1 1 24 24 GLY C C 13 173.311 . . 1 . . . . 24 G C . 15507 1 267 . 1 1 24 24 GLY CA C 13 45.230 . . 1 . . . . 24 G CA . 15507 1 268 . 1 1 24 24 GLY N N 15 111.697 . . 1 . . . . 24 G N . 15507 1 269 . 1 1 25 25 VAL H H 1 7.144 . . 1 . . . . 25 V HN . 15507 1 270 . 1 1 25 25 VAL HA H 1 4.086 . . 1 . . . . 25 V HA . 15507 1 271 . 1 1 25 25 VAL HB H 1 1.791 . . 1 . . . . 25 V HB . 15507 1 272 . 1 1 25 25 VAL HG11 H 1 0.501 . . 2 . . . . 25 V HG11 . 15507 1 273 . 1 1 25 25 VAL HG12 H 1 0.501 . . 2 . . . . 25 V HG11 . 15507 1 274 . 1 1 25 25 VAL HG13 H 1 0.501 . . 2 . . . . 25 V HG11 . 15507 1 275 . 1 1 25 25 VAL HG21 H 1 0.623 . . 2 . . . . 25 V HG21 . 15507 1 276 . 1 1 25 25 VAL HG22 H 1 0.623 . . 2 . . . . 25 V HG21 . 15507 1 277 . 1 1 25 25 VAL HG23 H 1 0.623 . . 2 . . . . 25 V HG21 . 15507 1 278 . 1 1 25 25 VAL C C 13 175.746 . . 1 . . . . 25 V C . 15507 1 279 . 1 1 25 25 VAL CA C 13 63.720 . . 1 . . . . 25 V CA . 15507 1 280 . 1 1 25 25 VAL CB C 13 31.620 . . 1 . . . . 25 V CB . 15507 1 281 . 1 1 25 25 VAL CG1 C 13 21.805 . . 1 . . . . 25 V CG1 . 15507 1 282 . 1 1 25 25 VAL CG2 C 13 23.210 . . 1 . . . . 25 V CG2 . 15507 1 283 . 1 1 25 25 VAL N N 15 120.493 . . 1 . . . . 25 V N . 15507 1 284 . 1 1 26 26 VAL H H 1 9.244 . . 1 . . . . 26 V HN . 15507 1 285 . 1 1 26 26 VAL HA H 1 3.852 . . 1 . . . . 26 V HA . 15507 1 286 . 1 1 26 26 VAL HG11 H 1 0.563 . . 2 . . . . 26 V HG11 . 15507 1 287 . 1 1 26 26 VAL HG12 H 1 0.563 . . 2 . . . . 26 V HG11 . 15507 1 288 . 1 1 26 26 VAL HG13 H 1 0.563 . . 2 . . . . 26 V HG11 . 15507 1 289 . 1 1 26 26 VAL HG21 H 1 0.518 . . 2 . . . . 26 V HG21 . 15507 1 290 . 1 1 26 26 VAL HG22 H 1 0.518 . . 2 . . . . 26 V HG21 . 15507 1 291 . 1 1 26 26 VAL HG23 H 1 0.518 . . 2 . . . . 26 V HG21 . 15507 1 292 . 1 1 26 26 VAL C C 13 174.217 . . 1 . . . . 26 V C . 15507 1 293 . 1 1 26 26 VAL CA C 13 61.510 . . 1 . . . . 26 V CA . 15507 1 294 . 1 1 26 26 VAL CB C 13 32.730 . . 1 . . . . 26 V CB . 15507 1 295 . 1 1 26 26 VAL CG1 C 13 21.363 . . 1 . . . . 26 V CG1 . 15507 1 296 . 1 1 26 26 VAL CG2 C 13 20.958 . . 1 . . . . 26 V CG2 . 15507 1 297 . 1 1 26 26 VAL N N 15 133.135 . . 1 . . . . 26 V N . 15507 1 298 . 1 1 27 27 VAL H H 1 8.257 . . 1 . . . . 27 V HN . 15507 1 299 . 1 1 27 27 VAL HA H 1 4.489 . . 1 . . . . 27 V HA . 15507 1 300 . 1 1 27 27 VAL HB H 1 1.948 . . 1 . . . . 27 V HB . 15507 1 301 . 1 1 27 27 VAL HG11 H 1 0.909 . . 2 . . . . 27 V HG11 . 15507 1 302 . 1 1 27 27 VAL HG12 H 1 0.909 . . 2 . . . . 27 V HG11 . 15507 1 303 . 1 1 27 27 VAL HG13 H 1 0.909 . . 2 . . . . 27 V HG11 . 15507 1 304 . 1 1 27 27 VAL HG21 H 1 0.980 . . 2 . . . . 27 V HG21 . 15507 1 305 . 1 1 27 27 VAL HG22 H 1 0.980 . . 2 . . . . 27 V HG21 . 15507 1 306 . 1 1 27 27 VAL HG23 H 1 0.980 . . 2 . . . . 27 V HG21 . 15507 1 307 . 1 1 27 27 VAL C C 13 176.103 . . 1 . . . . 27 V C . 15507 1 308 . 1 1 27 27 VAL CA C 13 61.090 . . 1 . . . . 27 V CA . 15507 1 309 . 1 1 27 27 VAL CB C 13 33.000 . . 1 . . . . 27 V CB . 15507 1 310 . 1 1 27 27 VAL CG1 C 13 21.910 . . 1 . . . . 27 V CG1 . 15507 1 311 . 1 1 27 27 VAL CG2 C 13 21.464 . . 1 . . . . 27 V CG2 . 15507 1 312 . 1 1 27 27 VAL N N 15 124.300 . . 1 . . . . 27 V N . 15507 1 313 . 1 1 28 28 LEU H H 1 8.966 . . 1 . . . . 28 L HN . 15507 1 314 . 1 1 28 28 LEU HA H 1 4.862 . . 1 . . . . 28 L HA . 15507 1 315 . 1 1 28 28 LEU HB2 H 1 1.932 . . 2 . . . . 28 L HB1 . 15507 1 316 . 1 1 28 28 LEU HB3 H 1 2.060 . . 2 . . . . 28 L HB2 . 15507 1 317 . 1 1 28 28 LEU HD11 H 1 1.132 . . 2 . . . . 28 L HD11 . 15507 1 318 . 1 1 28 28 LEU HD12 H 1 1.132 . . 2 . . . . 28 L HD11 . 15507 1 319 . 1 1 28 28 LEU HD13 H 1 1.132 . . 2 . . . . 28 L HD11 . 15507 1 320 . 1 1 28 28 LEU HD21 H 1 1.032 . . 2 . . . . 28 L HD21 . 15507 1 321 . 1 1 28 28 LEU HD22 H 1 1.032 . . 2 . . . . 28 L HD21 . 15507 1 322 . 1 1 28 28 LEU HD23 H 1 1.032 . . 2 . . . . 28 L HD21 . 15507 1 323 . 1 1 28 28 LEU HG H 1 1.763 . . 1 . . . . 28 L HG . 15507 1 324 . 1 1 28 28 LEU CA C 13 53.220 . . 1 . . . . 28 L CA . 15507 1 325 . 1 1 28 28 LEU CB C 13 40.790 . . 1 . . . . 28 L CB . 15507 1 326 . 1 1 28 28 LEU CD1 C 13 22.278 . . 1 . . . . 28 L CD1 . 15507 1 327 . 1 1 28 28 LEU CD2 C 13 25.738 . . 1 . . . . 28 L CD2 . 15507 1 328 . 1 1 28 28 LEU CG C 13 27.653 . . 1 . . . . 28 L CG . 15507 1 329 . 1 1 28 28 LEU N N 15 129.808 . . 1 . . . . 28 L N . 15507 1 330 . 1 1 29 29 PRO HA H 1 4.313 . . 1 . . . . 29 P HA . 15507 1 331 . 1 1 29 29 PRO HB2 H 1 1.980 . . 2 . . . . 29 P HB1 . 15507 1 332 . 1 1 29 29 PRO HB3 H 1 2.440 . . 2 . . . . 29 P HB2 . 15507 1 333 . 1 1 29 29 PRO HD2 H 1 3.939 . . 2 . . . . 29 P HD1 . 15507 1 334 . 1 1 29 29 PRO HD3 H 1 4.009 . . 2 . . . . 29 P HD2 . 15507 1 335 . 1 1 29 29 PRO HG2 H 1 2.111 . . 2 . . . . 29 P HG1 . 15507 1 336 . 1 1 29 29 PRO HG3 H 1 2.243 . . 2 . . . . 29 P HG2 . 15507 1 337 . 1 1 29 29 PRO C C 13 177.480 . . 1 . . . . 29 P C . 15507 1 338 . 1 1 29 29 PRO CA C 13 65.596 . . 1 . . . . 29 P CA . 15507 1 339 . 1 1 29 29 PRO CB C 13 31.747 . . 1 . . . . 29 P CB . 15507 1 340 . 1 1 29 29 PRO CD C 13 50.348 . . 1 . . . . 29 P CD . 15507 1 341 . 1 1 29 29 PRO CG C 13 27.607 . . 1 . . . . 29 P CG . 15507 1 342 . 1 1 30 30 SER H H 1 8.457 . . 1 . . . . 30 S HN . 15507 1 343 . 1 1 30 30 SER HA H 1 4.182 . . 1 . . . . 30 S HA . 15507 1 344 . 1 1 30 30 SER HB2 H 1 4.032 . . 2 . . . . 30 S HB1 . 15507 1 345 . 1 1 30 30 SER HB3 H 1 4.032 . . 2 . . . . 30 S HB2 . 15507 1 346 . 1 1 30 30 SER C C 13 175.524 . . 1 . . . . 30 S C . 15507 1 347 . 1 1 30 30 SER CA C 13 58.870 . . 1 . . . . 30 S CA . 15507 1 348 . 1 1 30 30 SER CB C 13 63.050 . . 1 . . . . 30 S CB . 15507 1 349 . 1 1 30 30 SER N N 15 111.761 . . 1 . . . . 30 S N . 15507 1 350 . 1 1 31 31 GLY H H 1 8.335 . . 1 . . . . 31 G HN . 15507 1 351 . 1 1 31 31 GLY HA2 H 1 3.535 . . 2 . . . . 31 G HA1 . 15507 1 352 . 1 1 31 31 GLY HA3 H 1 4.527 . . 2 . . . . 31 G HA2 . 15507 1 353 . 1 1 31 31 GLY C C 13 173.565 . . 1 . . . . 31 G C . 15507 1 354 . 1 1 31 31 GLY CA C 13 44.200 . . 1 . . . . 31 G CA . 15507 1 355 . 1 1 31 31 GLY N N 15 110.540 . . 1 . . . . 31 G N . 15507 1 356 . 1 1 32 32 LEU H H 1 7.735 . . 1 . . . . 32 L HN . 15507 1 357 . 1 1 32 32 LEU HA H 1 4.204 . . 1 . . . . 32 L HA . 15507 1 358 . 1 1 32 32 LEU HB2 H 1 1.473 . . 2 . . . . 32 L HB1 . 15507 1 359 . 1 1 32 32 LEU HB3 H 1 1.835 . . 2 . . . . 32 L HB2 . 15507 1 360 . 1 1 32 32 LEU HD11 H 1 1.108 . . 2 . . . . 32 L HD11 . 15507 1 361 . 1 1 32 32 LEU HD12 H 1 1.108 . . 2 . . . . 32 L HD11 . 15507 1 362 . 1 1 32 32 LEU HD13 H 1 1.108 . . 2 . . . . 32 L HD11 . 15507 1 363 . 1 1 32 32 LEU HD21 H 1 1.257 . . 2 . . . . 32 L HD21 . 15507 1 364 . 1 1 32 32 LEU HD22 H 1 1.257 . . 2 . . . . 32 L HD21 . 15507 1 365 . 1 1 32 32 LEU HD23 H 1 1.257 . . 2 . . . . 32 L HD21 . 15507 1 366 . 1 1 32 32 LEU HG H 1 1.822 . . 1 . . . . 32 L HG . 15507 1 367 . 1 1 32 32 LEU C C 13 174.063 . . 1 . . . . 32 L C . 15507 1 368 . 1 1 32 32 LEU CA C 13 56.560 . . 1 . . . . 32 L CA . 15507 1 369 . 1 1 32 32 LEU CB C 13 42.820 . . 1 . . . . 32 L CB . 15507 1 370 . 1 1 32 32 LEU CD1 C 13 26.160 . . 1 . . . . 32 L CD1 . 15507 1 371 . 1 1 32 32 LEU CD2 C 13 25.469 . . 1 . . . . 32 L CD2 . 15507 1 372 . 1 1 32 32 LEU CG C 13 27.106 . . 1 . . . . 32 L CG . 15507 1 373 . 1 1 32 32 LEU N N 15 121.969 . . 1 . . . . 32 L N . 15507 1 374 . 1 1 33 33 GLN H H 1 8.138 . . 1 . . . . 33 Q HN . 15507 1 375 . 1 1 33 33 GLN HB2 H 1 1.972 . . 2 . . . . 33 Q HB1 . 15507 1 376 . 1 1 33 33 GLN HB3 H 1 2.275 . . 2 . . . . 33 Q HB2 . 15507 1 377 . 1 1 33 33 GLN HE21 H 1 7.451 . . 2 . . . . 33 Q HE21 . 15507 1 378 . 1 1 33 33 GLN HE22 H 1 6.942 . . 2 . . . . 33 Q HE22 . 15507 1 379 . 1 1 33 33 GLN HG2 H 1 2.273 . . 2 . . . . 33 Q HG1 . 15507 1 380 . 1 1 33 33 GLN HG3 H 1 2.754 . . 2 . . . . 33 Q HG2 . 15507 1 381 . 1 1 33 33 GLN C C 13 176.263 . . 1 . . . . 33 Q C . 15507 1 382 . 1 1 33 33 GLN CA C 13 52.000 . . 1 . . . . 33 Q CA . 15507 1 383 . 1 1 33 33 GLN CB C 13 31.120 . . 1 . . . . 33 Q CB . 15507 1 384 . 1 1 33 33 GLN CG C 13 33.078 . . 1 . . . . 33 Q CG . 15507 1 385 . 1 1 33 33 GLN N N 15 121.517 . . 1 . . . . 33 Q N . 15507 1 386 . 1 1 33 33 GLN NE2 N 15 108.946 . . 1 . . . . 33 Q NE2 . 15507 1 387 . 1 1 34 34 TYR H H 1 9.307 . . 1 . . . . 34 Y HN . 15507 1 388 . 1 1 34 34 TYR HA H 1 5.946 . . 1 . . . . 34 Y HA . 15507 1 389 . 1 1 34 34 TYR HB2 H 1 2.949 . . 2 . . . . 34 Y HB1 . 15507 1 390 . 1 1 34 34 TYR HB3 H 1 2.949 . . 2 . . . . 34 Y HB2 . 15507 1 391 . 1 1 34 34 TYR HD1 H 1 6.024 . . 3 . . . . 34 Y HD1 . 15507 1 392 . 1 1 34 34 TYR HE1 H 1 6.093 . . 3 . . . . 34 Y HE1 . 15507 1 393 . 1 1 34 34 TYR C C 13 171.444 . . 1 . . . . 34 Y C . 15507 1 394 . 1 1 34 34 TYR CA C 13 56.670 . . 1 . . . . 34 Y CA . 15507 1 395 . 1 1 34 34 TYR CB C 13 43.470 . . 1 . . . . 34 Y CB . 15507 1 396 . 1 1 34 34 TYR CD1 C 13 132.409 . . 3 . . . . 34 Y CD1 . 15507 1 397 . 1 1 34 34 TYR CE1 C 13 117.111 . . 3 . . . . 34 Y CE1 . 15507 1 398 . 1 1 34 34 TYR N N 15 117.460 . . 1 . . . . 34 Y N . 15507 1 399 . 1 1 35 35 LYS H H 1 9.456 . . 1 . . . . 35 K HN . 15507 1 400 . 1 1 35 35 LYS HA H 1 4.661 . . 1 . . . . 35 K HA . 15507 1 401 . 1 1 35 35 LYS HB2 H 1 1.743 . . 2 . . . . 35 K HB1 . 15507 1 402 . 1 1 35 35 LYS HB3 H 1 1.939 . . 2 . . . . 35 K HB2 . 15507 1 403 . 1 1 35 35 LYS HD2 H 1 1.674 . . 2 . . . . 35 K HD2 . 15507 1 404 . 1 1 35 35 LYS HE2 H 1 2.878 . . 2 . . . . 35 K HE1 . 15507 1 405 . 1 1 35 35 LYS HE3 H 1 2.983 . . 2 . . . . 35 K HE2 . 15507 1 406 . 1 1 35 35 LYS HG2 H 1 1.212 . . 2 . . . . 35 K HG1 . 15507 1 407 . 1 1 35 35 LYS HG3 H 1 1.312 . . 2 . . . . 35 K HG2 . 15507 1 408 . 1 1 35 35 LYS C C 13 174.845 . . 1 . . . . 35 K C . 15507 1 409 . 1 1 35 35 LYS CA C 13 55.040 . . 1 . . . . 35 K CA . 15507 1 410 . 1 1 35 35 LYS CB C 13 38.040 . . 1 . . . . 35 K CB . 15507 1 411 . 1 1 35 35 LYS CD C 13 29.904 . . 1 . . . . 35 K CD . 15507 1 412 . 1 1 35 35 LYS CE C 13 42.142 . . 1 . . . . 35 K CE . 15507 1 413 . 1 1 35 35 LYS CG C 13 25.051 . . 1 . . . . 35 K CG . 15507 1 414 . 1 1 35 35 LYS N N 15 119.513 . . 1 . . . . 35 K N . 15507 1 415 . 1 1 36 36 VAL H H 1 9.008 . . 1 . . . . 36 V HN . 15507 1 416 . 1 1 36 36 VAL HA H 1 3.559 . . 1 . . . . 36 V HA . 15507 1 417 . 1 1 36 36 VAL HB H 1 1.941 . . 1 . . . . 36 V HB . 15507 1 418 . 1 1 36 36 VAL HG11 H 1 0.916 . . 2 . . . . 36 V HG11 . 15507 1 419 . 1 1 36 36 VAL HG12 H 1 0.916 . . 2 . . . . 36 V HG11 . 15507 1 420 . 1 1 36 36 VAL HG13 H 1 0.916 . . 2 . . . . 36 V HG11 . 15507 1 421 . 1 1 36 36 VAL HG21 H 1 0.439 . . 2 . . . . 36 V HG21 . 15507 1 422 . 1 1 36 36 VAL HG22 H 1 0.439 . . 2 . . . . 36 V HG21 . 15507 1 423 . 1 1 36 36 VAL HG23 H 1 0.439 . . 2 . . . . 36 V HG21 . 15507 1 424 . 1 1 36 36 VAL C C 13 176.170 . . 1 . . . . 36 V C . 15507 1 425 . 1 1 36 36 VAL CA C 13 64.210 . . 1 . . . . 36 V CA . 15507 1 426 . 1 1 36 36 VAL CB C 13 31.730 . . 1 . . . . 36 V CB . 15507 1 427 . 1 1 36 36 VAL CG1 C 13 21.650 . . 1 . . . . 36 V CG1 . 15507 1 428 . 1 1 36 36 VAL CG2 C 13 20.270 . . 1 . . . . 36 V CG2 . 15507 1 429 . 1 1 36 36 VAL N N 15 127.579 . . 1 . . . . 36 V N . 15507 1 430 . 1 1 37 37 ILE H H 1 8.513 . . 1 . . . . 37 I HN . 15507 1 431 . 1 1 37 37 ILE HA H 1 4.219 . . 1 . . . . 37 I HA . 15507 1 432 . 1 1 37 37 ILE HB H 1 1.769 . . 1 . . . . 37 I HB . 15507 1 433 . 1 1 37 37 ILE HD11 H 1 0.795 . . 1 . . . . 37 I HD11 . 15507 1 434 . 1 1 37 37 ILE HD12 H 1 0.795 . . 1 . . . . 37 I HD11 . 15507 1 435 . 1 1 37 37 ILE HD13 H 1 0.795 . . 1 . . . . 37 I HD11 . 15507 1 436 . 1 1 37 37 ILE HG12 H 1 1.460 . . 1 . . . . 37 I HG11 . 15507 1 437 . 1 1 37 37 ILE HG13 H 1 1.357 . . 1 . . . . 37 I HG12 . 15507 1 438 . 1 1 37 37 ILE HG21 H 1 0.955 . . 1 . . . . 37 I HG21 . 15507 1 439 . 1 1 37 37 ILE HG22 H 1 0.955 . . 1 . . . . 37 I HG21 . 15507 1 440 . 1 1 37 37 ILE HG23 H 1 0.955 . . 1 . . . . 37 I HG21 . 15507 1 441 . 1 1 37 37 ILE C C 13 176.250 . . 1 . . . . 37 I C . 15507 1 442 . 1 1 37 37 ILE CA C 13 62.540 . . 1 . . . . 37 I CA . 15507 1 443 . 1 1 37 37 ILE CB C 13 37.150 . . 1 . . . . 37 I CB . 15507 1 444 . 1 1 37 37 ILE CD1 C 13 11.704 . . 1 . . . . 37 I CD1 . 15507 1 445 . 1 1 37 37 ILE CG1 C 13 27.593 . . 1 . . . . 37 I CG1 . 15507 1 446 . 1 1 37 37 ILE CG2 C 13 16.615 . . 1 . . . . 37 I CG2 . 15507 1 447 . 1 1 37 37 ILE N N 15 129.730 . . 1 . . . . 37 I N . 15507 1 448 . 1 1 38 38 ASN H H 1 8.731 . . 1 . . . . 38 N HN . 15507 1 449 . 1 1 38 38 ASN HA H 1 5.066 . . 1 . . . . 38 N HA . 15507 1 450 . 1 1 38 38 ASN HB2 H 1 2.787 . . 2 . . . . 38 N HB1 . 15507 1 451 . 1 1 38 38 ASN HB3 H 1 2.875 . . 2 . . . . 38 N HB2 . 15507 1 452 . 1 1 38 38 ASN HD21 H 1 7.451 . . 2 . . . . 38 N HD21 . 15507 1 453 . 1 1 38 38 ASN HD22 H 1 6.865 . . 2 . . . . 38 N HD22 . 15507 1 454 . 1 1 38 38 ASN C C 13 174.281 . . 1 . . . . 38 N C . 15507 1 455 . 1 1 38 38 ASN CA C 13 53.360 . . 1 . . . . 38 N CA . 15507 1 456 . 1 1 38 38 ASN CB C 13 42.300 . . 1 . . . . 38 N CB . 15507 1 457 . 1 1 38 38 ASN CG C 13 176.078 . . 1 . . . . 38 N CG . 15507 1 458 . 1 1 38 38 ASN N N 15 115.645 . . 1 . . . . 38 N N . 15507 1 459 . 1 1 38 38 ASN ND2 N 15 112.320 . . 1 . . . . 38 N ND2 . 15507 1 460 . 1 1 39 39 SER H H 1 9.060 . . 1 . . . . 39 S HN . 15507 1 461 . 1 1 39 39 SER HA H 1 4.923 . . 1 . . . . 39 S HA . 15507 1 462 . 1 1 39 39 SER HB2 H 1 3.937 . . 2 . . . . 39 S HB1 . 15507 1 463 . 1 1 39 39 SER HB3 H 1 4.020 . . 2 . . . . 39 S HB2 . 15507 1 464 . 1 1 39 39 SER C C 13 174.377 . . 1 . . . . 39 S C . 15507 1 465 . 1 1 39 39 SER CA C 13 58.310 . . 1 . . . . 39 S CA . 15507 1 466 . 1 1 39 39 SER CB C 13 64.090 . . 1 . . . . 39 S CB . 15507 1 467 . 1 1 39 39 SER N N 15 121.264 . . 1 . . . . 39 S N . 15507 1 468 . 1 1 40 40 GLY H H 1 8.148 . . 1 . . . . 40 G HN . 15507 1 469 . 1 1 40 40 GLY HA2 H 1 3.552 . . 2 . . . . 40 G HA1 . 15507 1 470 . 1 1 40 40 GLY HA3 H 1 4.441 . . 2 . . . . 40 G HA2 . 15507 1 471 . 1 1 40 40 GLY C C 13 172.703 . . 1 . . . . 40 G C . 15507 1 472 . 1 1 40 40 GLY CA C 13 43.540 . . 1 . . . . 40 G CA . 15507 1 473 . 1 1 40 40 GLY N N 15 112.536 . . 1 . . . . 40 G N . 15507 1 474 . 1 1 41 41 ASN H H 1 8.446 . . 1 . . . . 41 N HN . 15507 1 475 . 1 1 41 41 ASN HA H 1 5.046 . . 1 . . . . 41 N HA . 15507 1 476 . 1 1 41 41 ASN HB2 H 1 2.873 . . 2 . . . . 41 N HB1 . 15507 1 477 . 1 1 41 41 ASN HB3 H 1 2.873 . . 2 . . . . 41 N HB2 . 15507 1 478 . 1 1 41 41 ASN HD21 H 1 7.529 . . 2 . . . . 41 N HD21 . 15507 1 479 . 1 1 41 41 ASN HD22 H 1 6.830 . . 2 . . . . 41 N HD22 . 15507 1 480 . 1 1 41 41 ASN C C 13 175.941 . . 1 . . . . 41 N C . 15507 1 481 . 1 1 41 41 ASN CA C 13 52.270 . . 1 . . . . 41 N CA . 15507 1 482 . 1 1 41 41 ASN CB C 13 39.600 . . 1 . . . . 41 N CB . 15507 1 483 . 1 1 41 41 ASN N N 15 115.020 . . 1 . . . . 41 N N . 15507 1 484 . 1 1 41 41 ASN ND2 N 15 111.314 . . 1 . . . . 41 N ND2 . 15507 1 485 . 1 1 42 42 GLY H H 1 8.181 . . 1 . . . . 42 G HN . 15507 1 486 . 1 1 42 42 GLY HA2 H 1 3.819 . . 2 . . . . 42 G HA1 . 15507 1 487 . 1 1 42 42 GLY HA3 H 1 4.433 . . 2 . . . . 42 G HA2 . 15507 1 488 . 1 1 42 42 GLY C C 13 172.194 . . 1 . . . . 42 G C . 15507 1 489 . 1 1 42 42 GLY CA C 13 44.450 . . 1 . . . . 42 G CA . 15507 1 490 . 1 1 42 42 GLY N N 15 108.411 . . 1 . . . . 42 G N . 15507 1 491 . 1 1 43 43 VAL H H 1 8.002 . . 1 . . . . 43 V HN . 15507 1 492 . 1 1 43 43 VAL HA H 1 4.091 . . 1 . . . . 43 V HA . 15507 1 493 . 1 1 43 43 VAL HB H 1 2.094 . . 1 . . . . 43 V HB . 15507 1 494 . 1 1 43 43 VAL HG11 H 1 0.900 . . 2 . . . . 43 V HG11 . 15507 1 495 . 1 1 43 43 VAL HG12 H 1 0.900 . . 2 . . . . 43 V HG11 . 15507 1 496 . 1 1 43 43 VAL HG13 H 1 0.900 . . 2 . . . . 43 V HG11 . 15507 1 497 . 1 1 43 43 VAL HG21 H 1 0.946 . . 2 . . . . 43 V HG21 . 15507 1 498 . 1 1 43 43 VAL HG22 H 1 0.946 . . 2 . . . . 43 V HG21 . 15507 1 499 . 1 1 43 43 VAL HG23 H 1 0.946 . . 2 . . . . 43 V HG21 . 15507 1 500 . 1 1 43 43 VAL C C 13 175.428 . . 1 . . . . 43 V C . 15507 1 501 . 1 1 43 43 VAL CA C 13 61.740 . . 1 . . . . 43 V CA . 15507 1 502 . 1 1 43 43 VAL CB C 13 32.580 . . 1 . . . . 43 V CB . 15507 1 503 . 1 1 43 43 VAL CG1 C 13 19.597 . . 1 . . . . 43 V CG1 . 15507 1 504 . 1 1 43 43 VAL CG2 C 13 20.974 . . 1 . . . . 43 V CG2 . 15507 1 505 . 1 1 43 43 VAL N N 15 115.351 . . 1 . . . . 43 V N . 15507 1 506 . 1 1 44 44 LYS H H 1 8.051 . . 1 . . . . 44 K HN . 15507 1 507 . 1 1 44 44 LYS HA H 1 5.089 . . 1 . . . . 44 K HA . 15507 1 508 . 1 1 44 44 LYS HB2 H 1 1.441 . . 2 . . . . 44 K HB1 . 15507 1 509 . 1 1 44 44 LYS HB3 H 1 1.580 . . 2 . . . . 44 K HB2 . 15507 1 510 . 1 1 44 44 LYS HD2 H 1 1.551 . . 2 . . . . 44 K HD1 . 15507 1 511 . 1 1 44 44 LYS HD3 H 1 1.655 . . 2 . . . . 44 K HD2 . 15507 1 512 . 1 1 44 44 LYS HE2 H 1 2.912 . . 2 . . . . 44 K HE1 . 15507 1 513 . 1 1 44 44 LYS HE3 H 1 2.912 . . 2 . . . . 44 K HE2 . 15507 1 514 . 1 1 44 44 LYS HG2 H 1 0.755 . . 2 . . . . 44 K HG1 . 15507 1 515 . 1 1 44 44 LYS HG3 H 1 1.380 . . 2 . . . . 44 K HG2 . 15507 1 516 . 1 1 44 44 LYS CA C 13 53.030 . . 1 . . . . 44 K CA . 15507 1 517 . 1 1 44 44 LYS CB C 13 32.330 . . 1 . . . . 44 K CB . 15507 1 518 . 1 1 44 44 LYS CD C 13 29.566 . . 1 . . . . 44 K CD . 15507 1 519 . 1 1 44 44 LYS CE C 13 42.145 . . 1 . . . . 44 K CE . 15507 1 520 . 1 1 44 44 LYS CG C 13 24.918 . . 1 . . . . 44 K CG . 15507 1 521 . 1 1 44 44 LYS N N 15 122.309 . . 1 . . . . 44 K N . 15507 1 522 . 1 1 45 45 PRO HA H 1 4.499 . . 1 . . . . 45 P HA . 15507 1 523 . 1 1 45 45 PRO HB2 H 1 1.964 . . 2 . . . . 45 P HB2 . 15507 1 524 . 1 1 45 45 PRO HD2 H 1 3.779 . . 2 . . . . 45 P HD1 . 15507 1 525 . 1 1 45 45 PRO HD3 H 1 4.232 . . 2 . . . . 45 P HD2 . 15507 1 526 . 1 1 45 45 PRO HG2 H 1 1.595 . . 2 . . . . 45 P HG1 . 15507 1 527 . 1 1 45 45 PRO HG3 H 1 1.785 . . 2 . . . . 45 P HG2 . 15507 1 528 . 1 1 45 45 PRO C C 13 176.829 . . 1 . . . . 45 P C . 15507 1 529 . 1 1 45 45 PRO CA C 13 62.345 . . 1 . . . . 45 P CA . 15507 1 530 . 1 1 45 45 PRO CB C 13 32.744 . . 1 . . . . 45 P CB . 15507 1 531 . 1 1 45 45 PRO CD C 13 51.169 . . 1 . . . . 45 P CD . 15507 1 532 . 1 1 45 45 PRO CG C 13 27.719 . . 1 . . . . 45 P CG . 15507 1 533 . 1 1 46 46 GLY H H 1 9.397 . . 1 . . . . 46 G HN . 15507 1 534 . 1 1 46 46 GLY HA2 H 1 3.713 . . 2 . . . . 46 G HA1 . 15507 1 535 . 1 1 46 46 GLY HA3 H 1 4.476 . . 2 . . . . 46 G HA2 . 15507 1 536 . 1 1 46 46 GLY C C 13 175.268 . . 1 . . . . 46 G C . 15507 1 537 . 1 1 46 46 GLY CA C 13 43.240 . . 1 . . . . 46 G CA . 15507 1 538 . 1 1 46 46 GLY N N 15 109.568 . . 1 . . . . 46 G N . 15507 1 539 . 1 1 47 47 LYS H H 1 8.138 . . 1 . . . . 47 K HN . 15507 1 540 . 1 1 47 47 LYS HA H 1 3.675 . . 1 . . . . 47 K HA . 15507 1 541 . 1 1 47 47 LYS HB2 H 1 1.766 . . 2 . . . . 47 K HB1 . 15507 1 542 . 1 1 47 47 LYS HB3 H 1 1.766 . . 2 . . . . 47 K HB2 . 15507 1 543 . 1 1 47 47 LYS HD2 H 1 1.675 . . 2 . . . . 47 K HD2 . 15507 1 544 . 1 1 47 47 LYS HE2 H 1 2.982 . . 2 . . . . 47 K HE2 . 15507 1 545 . 1 1 47 47 LYS HG2 H 1 1.390 . . 2 . . . . 47 K HG2 . 15507 1 546 . 1 1 47 47 LYS C C 13 176.288 . . 1 . . . . 47 K C . 15507 1 547 . 1 1 47 47 LYS CA C 13 59.610 . . 1 . . . . 47 K CA . 15507 1 548 . 1 1 47 47 LYS CB C 13 32.560 . . 1 . . . . 47 K CB . 15507 1 549 . 1 1 47 47 LYS CD C 13 29.290 . . 1 . . . . 47 K CD . 15507 1 550 . 1 1 47 47 LYS CE C 13 41.743 . . 1 . . . . 47 K CE . 15507 1 551 . 1 1 47 47 LYS CG C 13 24.984 . . 1 . . . . 47 K CG . 15507 1 552 . 1 1 47 47 LYS N N 15 116.614 . . 1 . . . . 47 K N . 15507 1 553 . 1 1 48 48 SER H H 1 8.248 . . 1 . . . . 48 S HN . 15507 1 554 . 1 1 48 48 SER HA H 1 4.814 . . 1 . . . . 48 S HA . 15507 1 555 . 1 1 48 48 SER HB2 H 1 3.940 . . 2 . . . . 48 S HB1 . 15507 1 556 . 1 1 48 48 SER HB3 H 1 4.024 . . 2 . . . . 48 S HB2 . 15507 1 557 . 1 1 48 48 SER C C 13 174.852 . . 1 . . . . 48 S C . 15507 1 558 . 1 1 48 48 SER CA C 13 57.110 . . 1 . . . . 48 S CA . 15507 1 559 . 1 1 48 48 SER CB C 13 63.960 . . 1 . . . . 48 S CB . 15507 1 560 . 1 1 48 48 SER N N 15 109.635 . . 1 . . . . 48 S N . 15507 1 561 . 1 1 49 49 ASP H H 1 7.251 . . 1 . . . . 49 D HN . 15507 1 562 . 1 1 49 49 ASP HA H 1 4.834 . . 1 . . . . 49 D HA . 15507 1 563 . 1 1 49 49 ASP HB2 H 1 2.688 . . 2 . . . . 49 D HB2 . 15507 1 564 . 1 1 49 49 ASP C C 13 174.758 . . 1 . . . . 49 D C . 15507 1 565 . 1 1 49 49 ASP CA C 13 55.060 . . 1 . . . . 49 D CA . 15507 1 566 . 1 1 49 49 ASP CB C 13 41.890 . . 1 . . . . 49 D CB . 15507 1 567 . 1 1 49 49 ASP N N 15 122.102 . . 1 . . . . 49 D N . 15507 1 568 . 1 1 50 50 THR H H 1 8.459 . . 1 . . . . 50 T HN . 15507 1 569 . 1 1 50 50 THR HA H 1 4.857 . . 1 . . . . 50 T HA . 15507 1 570 . 1 1 50 50 THR HB H 1 3.930 . . 1 . . . . 50 T HB . 15507 1 571 . 1 1 50 50 THR HG21 H 1 1.027 . . 1 . . . . 50 T HG21 . 15507 1 572 . 1 1 50 50 THR HG22 H 1 1.027 . . 1 . . . . 50 T HG21 . 15507 1 573 . 1 1 50 50 THR HG23 H 1 1.027 . . 1 . . . . 50 T HG21 . 15507 1 574 . 1 1 50 50 THR C C 13 173.911 . . 1 . . . . 50 T C . 15507 1 575 . 1 1 50 50 THR CA C 13 62.770 . . 1 . . . . 50 T CA . 15507 1 576 . 1 1 50 50 THR CB C 13 70.440 . . 1 . . . . 50 T CB . 15507 1 577 . 1 1 50 50 THR CG2 C 13 21.469 . . 1 . . . . 50 T CG2 . 15507 1 578 . 1 1 50 50 THR N N 15 116.088 . . 1 . . . . 50 T N . 15507 1 579 . 1 1 51 51 VAL H H 1 9.148 . . 1 . . . . 51 V HN . 15507 1 580 . 1 1 51 51 VAL HA H 1 5.185 . . 1 . . . . 51 V HA . 15507 1 581 . 1 1 51 51 VAL HB H 1 1.981 . . 1 . . . . 51 V HB . 15507 1 582 . 1 1 51 51 VAL HG11 H 1 0.714 . . 2 . . . . 51 V HG11 . 15507 1 583 . 1 1 51 51 VAL HG12 H 1 0.714 . . 2 . . . . 51 V HG11 . 15507 1 584 . 1 1 51 51 VAL HG13 H 1 0.714 . . 2 . . . . 51 V HG11 . 15507 1 585 . 1 1 51 51 VAL HG21 H 1 0.866 . . 2 . . . . 51 V HG21 . 15507 1 586 . 1 1 51 51 VAL HG22 H 1 0.866 . . 2 . . . . 51 V HG21 . 15507 1 587 . 1 1 51 51 VAL HG23 H 1 0.866 . . 2 . . . . 51 V HG21 . 15507 1 588 . 1 1 51 51 VAL C C 13 173.607 . . 1 . . . . 51 V C . 15507 1 589 . 1 1 51 51 VAL CA C 13 58.260 . . 1 . . . . 51 V CA . 15507 1 590 . 1 1 51 51 VAL CB C 13 34.460 . . 1 . . . . 51 V CB . 15507 1 591 . 1 1 51 51 VAL CG1 C 13 18.614 . . 1 . . . . 51 V CG1 . 15507 1 592 . 1 1 51 51 VAL CG2 C 13 23.143 . . 1 . . . . 51 V CG2 . 15507 1 593 . 1 1 51 51 VAL N N 15 119.023 . . 1 . . . . 51 V N . 15507 1 594 . 1 1 52 52 THR H H 1 7.987 . . 1 . . . . 52 T HN . 15507 1 595 . 1 1 52 52 THR HA H 1 5.335 . . 1 . . . . 52 T HA . 15507 1 596 . 1 1 52 52 THR HB H 1 3.838 . . 1 . . . . 52 T HB . 15507 1 597 . 1 1 52 52 THR HG21 H 1 1.055 . . 1 . . . . 52 T HG21 . 15507 1 598 . 1 1 52 52 THR HG22 H 1 1.055 . . 1 . . . . 52 T HG21 . 15507 1 599 . 1 1 52 52 THR HG23 H 1 1.055 . . 1 . . . . 52 T HG21 . 15507 1 600 . 1 1 52 52 THR C C 13 174.980 . . 1 . . . . 52 T C . 15507 1 601 . 1 1 52 52 THR CA C 13 61.630 . . 1 . . . . 52 T CA . 15507 1 602 . 1 1 52 52 THR CB C 13 70.290 . . 1 . . . . 52 T CB . 15507 1 603 . 1 1 52 52 THR CG2 C 13 21.545 . . 1 . . . . 52 T CG2 . 15507 1 604 . 1 1 52 52 THR N N 15 117.207 . . 1 . . . . 52 T N . 15507 1 605 . 1 1 53 53 VAL H H 1 9.563 . . 1 . . . . 53 V HN . 15507 1 606 . 1 1 53 53 VAL HA H 1 5.556 . . 1 . . . . 53 V HA . 15507 1 607 . 1 1 53 53 VAL HB H 1 2.377 . . 1 . . . . 53 V HB . 15507 1 608 . 1 1 53 53 VAL HG11 H 1 1.279 . . 2 . . . . 53 V HG11 . 15507 1 609 . 1 1 53 53 VAL HG12 H 1 1.279 . . 2 . . . . 53 V HG11 . 15507 1 610 . 1 1 53 53 VAL HG13 H 1 1.279 . . 2 . . . . 53 V HG11 . 15507 1 611 . 1 1 53 53 VAL HG21 H 1 0.989 . . 2 . . . . 53 V HG21 . 15507 1 612 . 1 1 53 53 VAL HG22 H 1 0.989 . . 2 . . . . 53 V HG21 . 15507 1 613 . 1 1 53 53 VAL HG23 H 1 0.989 . . 2 . . . . 53 V HG21 . 15507 1 614 . 1 1 53 53 VAL C C 13 174.850 . . 1 . . . . 53 V C . 15507 1 615 . 1 1 53 53 VAL CA C 13 58.530 . . 1 . . . . 53 V CA . 15507 1 616 . 1 1 53 53 VAL CB C 13 36.060 . . 1 . . . . 53 V CB . 15507 1 617 . 1 1 53 53 VAL CG1 C 13 20.225 . . 1 . . . . 53 V CG1 . 15507 1 618 . 1 1 53 53 VAL CG2 C 13 22.044 . . 1 . . . . 53 V CG2 . 15507 1 619 . 1 1 53 53 VAL N N 15 118.362 . . 1 . . . . 53 V N . 15507 1 620 . 1 1 54 54 GLU H H 1 8.737 . . 1 . . . . 54 E HN . 15507 1 621 . 1 1 54 54 GLU HA H 1 5.083 . . 1 . . . . 54 E HA . 15507 1 622 . 1 1 54 54 GLU HB2 H 1 2.118 . . 2 . . . . 54 E HB2 . 15507 1 623 . 1 1 54 54 GLU HG2 H 1 2.253 . . 2 . . . . 54 E HG1 . 15507 1 624 . 1 1 54 54 GLU HG3 H 1 2.368 . . 2 . . . . 54 E HG2 . 15507 1 625 . 1 1 54 54 GLU C C 13 176.167 . . 1 . . . . 54 E C . 15507 1 626 . 1 1 54 54 GLU CA C 13 54.660 . . 1 . . . . 54 E CA . 15507 1 627 . 1 1 54 54 GLU CB C 13 32.850 . . 1 . . . . 54 E CB . 15507 1 628 . 1 1 54 54 GLU CG C 13 36.696 . . 1 . . . . 54 E CG . 15507 1 629 . 1 1 54 54 GLU N N 15 118.738 . . 1 . . . . 54 E N . 15507 1 630 . 1 1 55 55 TYR H H 1 8.762 . . 1 . . . . 55 Y HN . 15507 1 631 . 1 1 55 55 TYR HA H 1 6.251 . . 1 . . . . 55 Y HA . 15507 1 632 . 1 1 55 55 TYR HB2 H 1 3.388 . . 2 . . . . 55 Y HB1 . 15507 1 633 . 1 1 55 55 TYR HB3 H 1 3.478 . . 2 . . . . 55 Y HB2 . 15507 1 634 . 1 1 55 55 TYR HD1 H 1 7.083 . . 3 . . . . 55 Y HD1 . 15507 1 635 . 1 1 55 55 TYR HE1 H 1 6.808 . . 3 . . . . 55 Y HE1 . 15507 1 636 . 1 1 55 55 TYR C C 13 173.749 . . 1 . . . . 55 Y C . 15507 1 637 . 1 1 55 55 TYR CA C 13 57.150 . . 1 . . . . 55 Y CA . 15507 1 638 . 1 1 55 55 TYR CB C 13 42.880 . . 1 . . . . 55 Y CB . 15507 1 639 . 1 1 55 55 TYR CD1 C 13 132.758 . . 3 . . . . 55 Y CD1 . 15507 1 640 . 1 1 55 55 TYR CE1 C 13 118.266 . . 3 . . . . 55 Y CE1 . 15507 1 641 . 1 1 55 55 TYR N N 15 118.639 . . 1 . . . . 55 Y N . 15507 1 642 . 1 1 56 56 THR H H 1 8.763 . . 1 . . . . 56 T HN . 15507 1 643 . 1 1 56 56 THR HA H 1 4.904 . . 1 . . . . 56 T HA . 15507 1 644 . 1 1 56 56 THR HB H 1 4.047 . . 1 . . . . 56 T HB . 15507 1 645 . 1 1 56 56 THR HG21 H 1 1.342 . . 1 . . . . 56 T HG21 . 15507 1 646 . 1 1 56 56 THR HG22 H 1 1.342 . . 1 . . . . 56 T HG21 . 15507 1 647 . 1 1 56 56 THR HG23 H 1 1.342 . . 1 . . . . 56 T HG21 . 15507 1 648 . 1 1 56 56 THR C C 13 173.761 . . 1 . . . . 56 T C . 15507 1 649 . 1 1 56 56 THR CA C 13 62.720 . . 1 . . . . 56 T CA . 15507 1 650 . 1 1 56 56 THR CB C 13 72.620 . . 1 . . . . 56 T CB . 15507 1 651 . 1 1 56 56 THR CG2 C 13 20.455 . . 1 . . . . 56 T CG2 . 15507 1 652 . 1 1 56 56 THR N N 15 114.614 . . 1 . . . . 56 T N . 15507 1 653 . 1 1 57 57 GLY H H 1 9.402 . . 1 . . . . 57 G HN . 15507 1 654 . 1 1 57 57 GLY HA3 H 1 4.728 . . 2 . . . . 57 G HA2 . 15507 1 655 . 1 1 57 57 GLY C C 13 170.466 . . 1 . . . . 57 G C . 15507 1 656 . 1 1 57 57 GLY CA C 13 45.150 . . 1 . . . . 57 G CA . 15507 1 657 . 1 1 57 57 GLY N N 15 116.466 . . 1 . . . . 57 G N . 15507 1 658 . 1 1 58 58 ARG H H 1 9.456 . . 1 . . . . 58 R HN . 15507 1 659 . 1 1 58 58 ARG HA H 1 5.433 . . 1 . . . . 58 R HA . 15507 1 660 . 1 1 58 58 ARG HB2 H 1 1.441 . . 2 . . . . 58 R HB2 . 15507 1 661 . 1 1 58 58 ARG HD2 H 1 2.912 . . 2 . . . . 58 R HD1 . 15507 1 662 . 1 1 58 58 ARG HD3 H 1 3.093 . . 2 . . . . 58 R HD2 . 15507 1 663 . 1 1 58 58 ARG HG2 H 1 1.349 . . 2 . . . . 58 R HG1 . 15507 1 664 . 1 1 58 58 ARG HG3 H 1 1.479 . . 2 . . . . 58 R HG2 . 15507 1 665 . 1 1 58 58 ARG C C 13 174.390 . . 1 . . . . 58 R C . 15507 1 666 . 1 1 58 58 ARG CA C 13 53.580 . . 1 . . . . 58 R CA . 15507 1 667 . 1 1 58 58 ARG CB C 13 35.330 . . 1 . . . . 58 R CB . 15507 1 668 . 1 1 58 58 ARG CD C 13 44.070 . . 1 . . . . 58 R CD . 15507 1 669 . 1 1 58 58 ARG CG C 13 27.645 . . 1 . . . . 58 R CG . 15507 1 670 . 1 1 58 58 ARG N N 15 124.579 . . 1 . . . . 58 R N . 15507 1 671 . 1 1 59 59 LEU H H 1 8.362 . . 1 . . . . 59 L HN . 15507 1 672 . 1 1 59 59 LEU HA H 1 4.893 . . 1 . . . . 59 L HA . 15507 1 673 . 1 1 59 59 LEU HB2 H 1 1.985 . . 2 . . . . 59 L HB1 . 15507 1 674 . 1 1 59 59 LEU HB3 H 1 2.065 . . 2 . . . . 59 L HB2 . 15507 1 675 . 1 1 59 59 LEU HD11 H 1 1.010 . . 2 . . . . 59 L HD11 . 15507 1 676 . 1 1 59 59 LEU HD12 H 1 1.010 . . 2 . . . . 59 L HD11 . 15507 1 677 . 1 1 59 59 LEU HD13 H 1 1.010 . . 2 . . . . 59 L HD11 . 15507 1 678 . 1 1 59 59 LEU HD21 H 1 0.825 . . 2 . . . . 59 L HD21 . 15507 1 679 . 1 1 59 59 LEU HD22 H 1 0.825 . . 2 . . . . 59 L HD21 . 15507 1 680 . 1 1 59 59 LEU HD23 H 1 0.825 . . 2 . . . . 59 L HD21 . 15507 1 681 . 1 1 59 59 LEU HG H 1 1.874 . . 1 . . . . 59 L HG . 15507 1 682 . 1 1 59 59 LEU C C 13 180.417 . . 1 . . . . 59 L C . 15507 1 683 . 1 1 59 59 LEU CA C 13 52.710 . . 1 . . . . 59 L CA . 15507 1 684 . 1 1 59 59 LEU CB C 13 42.130 . . 1 . . . . 59 L CB . 15507 1 685 . 1 1 59 59 LEU CD1 C 13 25.200 . . 1 . . . . 59 L CD1 . 15507 1 686 . 1 1 59 59 LEU CD2 C 13 22.731 . . 1 . . . . 59 L CD2 . 15507 1 687 . 1 1 59 59 LEU CG C 13 27.106 . . 1 . . . . 59 L CG . 15507 1 688 . 1 1 59 59 LEU N N 15 117.805 . . 1 . . . . 59 L N . 15507 1 689 . 1 1 60 60 ILE H H 1 9.486 . . 1 . . . . 60 I HN . 15507 1 690 . 1 1 60 60 ILE HA H 1 3.375 . . 1 . . . . 60 I HA . 15507 1 691 . 1 1 60 60 ILE HB H 1 1.575 . . 1 . . . . 60 I HB . 15507 1 692 . 1 1 60 60 ILE HD11 H 1 0.523 . . 1 . . . . 60 I HD11 . 15507 1 693 . 1 1 60 60 ILE HD12 H 1 0.523 . . 1 . . . . 60 I HD11 . 15507 1 694 . 1 1 60 60 ILE HD13 H 1 0.523 . . 1 . . . . 60 I HD11 . 15507 1 695 . 1 1 60 60 ILE HG12 H 1 0.946 . . 1 . . . . 60 I HG11 . 15507 1 696 . 1 1 60 60 ILE HG13 H 1 1.253 . . 1 . . . . 60 I HG12 . 15507 1 697 . 1 1 60 60 ILE HG21 H 1 0.849 . . 1 . . . . 60 I HG21 . 15507 1 698 . 1 1 60 60 ILE HG22 H 1 0.849 . . 1 . . . . 60 I HG21 . 15507 1 699 . 1 1 60 60 ILE HG23 H 1 0.849 . . 1 . . . . 60 I HG21 . 15507 1 700 . 1 1 60 60 ILE C C 13 177.083 . . 1 . . . . 60 I C . 15507 1 701 . 1 1 60 60 ILE CA C 13 65.140 . . 1 . . . . 60 I CA . 15507 1 702 . 1 1 60 60 ILE CB C 13 37.680 . . 1 . . . . 60 I CB . 15507 1 703 . 1 1 60 60 ILE CD1 C 13 17.155 . . 1 . . . . 60 I CD1 . 15507 1 704 . 1 1 60 60 ILE CG1 C 13 26.445 . . 1 . . . . 60 I CG1 . 15507 1 705 . 1 1 60 60 ILE CG2 C 13 15.339 . . 1 . . . . 60 I CG2 . 15507 1 706 . 1 1 60 60 ILE N N 15 118.196 . . 1 . . . . 60 I N . 15507 1 707 . 1 1 61 61 ASP H H 1 7.514 . . 1 . . . . 61 D HN . 15507 1 708 . 1 1 61 61 ASP HA H 1 4.509 . . 1 . . . . 61 D HA . 15507 1 709 . 1 1 61 61 ASP HB2 H 1 2.621 . . 2 . . . . 61 D HB1 . 15507 1 710 . 1 1 61 61 ASP HB3 H 1 3.122 . . 2 . . . . 61 D HB2 . 15507 1 711 . 1 1 61 61 ASP C C 13 177.027 . . 1 . . . . 61 D C . 15507 1 712 . 1 1 61 61 ASP CA C 13 53.460 . . 1 . . . . 61 D CA . 15507 1 713 . 1 1 61 61 ASP CB C 13 40.020 . . 1 . . . . 61 D CB . 15507 1 714 . 1 1 61 61 ASP N N 15 117.113 . . 1 . . . . 61 D N . 15507 1 715 . 1 1 62 62 GLY H H 1 8.039 . . 1 . . . . 62 G HN . 15507 1 716 . 1 1 62 62 GLY HA2 H 1 3.578 . . 2 . . . . 62 G HA1 . 15507 1 717 . 1 1 62 62 GLY HA3 H 1 4.486 . . 2 . . . . 62 G HA2 . 15507 1 718 . 1 1 62 62 GLY C C 13 174.665 . . 1 . . . . 62 G C . 15507 1 719 . 1 1 62 62 GLY CA C 13 44.830 . . 1 . . . . 62 G CA . 15507 1 720 . 1 1 62 62 GLY N N 15 108.488 . . 1 . . . . 62 G N . 15507 1 721 . 1 1 63 63 THR H H 1 8.184 . . 1 . . . . 63 T HN . 15507 1 722 . 1 1 63 63 THR HA H 1 3.868 . . 1 . . . . 63 T HA . 15507 1 723 . 1 1 63 63 THR HB H 1 4.090 . . 1 . . . . 63 T HB . 15507 1 724 . 1 1 63 63 THR HG21 H 1 1.178 . . 1 . . . . 63 T HG21 . 15507 1 725 . 1 1 63 63 THR HG22 H 1 1.178 . . 1 . . . . 63 T HG21 . 15507 1 726 . 1 1 63 63 THR HG23 H 1 1.178 . . 1 . . . . 63 T HG21 . 15507 1 727 . 1 1 63 63 THR C C 13 174.162 . . 1 . . . . 63 T C . 15507 1 728 . 1 1 63 63 THR CA C 13 64.830 . . 1 . . . . 63 T CA . 15507 1 729 . 1 1 63 63 THR CB C 13 69.160 . . 1 . . . . 63 T CB . 15507 1 730 . 1 1 63 63 THR CG2 C 13 20.409 . . 1 . . . . 63 T CG2 . 15507 1 731 . 1 1 63 63 THR N N 15 118.668 . . 1 . . . . 63 T N . 15507 1 732 . 1 1 64 64 VAL H H 1 8.850 . . 1 . . . . 64 V HN . 15507 1 733 . 1 1 64 64 VAL HA H 1 4.291 . . 1 . . . . 64 V HA . 15507 1 734 . 1 1 64 64 VAL HB H 1 2.043 . . 1 . . . . 64 V HB . 15507 1 735 . 1 1 64 64 VAL HG11 H 1 1.007 . . 2 . . . . 64 V HG11 . 15507 1 736 . 1 1 64 64 VAL HG12 H 1 1.007 . . 2 . . . . 64 V HG11 . 15507 1 737 . 1 1 64 64 VAL HG13 H 1 1.007 . . 2 . . . . 64 V HG11 . 15507 1 738 . 1 1 64 64 VAL HG21 H 1 0.906 . . 2 . . . . 64 V HG21 . 15507 1 739 . 1 1 64 64 VAL HG22 H 1 0.906 . . 2 . . . . 64 V HG21 . 15507 1 740 . 1 1 64 64 VAL HG23 H 1 0.906 . . 2 . . . . 64 V HG21 . 15507 1 741 . 1 1 64 64 VAL C C 13 176.640 . . 1 . . . . 64 V C . 15507 1 742 . 1 1 64 64 VAL CA C 13 62.520 . . 1 . . . . 64 V CA . 15507 1 743 . 1 1 64 64 VAL CB C 13 32.310 . . 1 . . . . 64 V CB . 15507 1 744 . 1 1 64 64 VAL CG1 C 13 21.910 . . 1 . . . . 64 V CG1 . 15507 1 745 . 1 1 64 64 VAL CG2 C 13 21.305 . . 1 . . . . 64 V CG2 . 15507 1 746 . 1 1 64 64 VAL N N 15 129.893 . . 1 . . . . 64 V N . 15507 1 747 . 1 1 65 65 PHE H H 1 8.206 . . 1 . . . . 65 F HN . 15507 1 748 . 1 1 65 65 PHE HA H 1 5.092 . . 1 . . . . 65 F HA . 15507 1 749 . 1 1 65 65 PHE HB2 H 1 2.556 . . 2 . . . . 65 F HB1 . 15507 1 750 . 1 1 65 65 PHE HB3 H 1 3.421 . . 2 . . . . 65 F HB2 . 15507 1 751 . 1 1 65 65 PHE HD1 H 1 7.010 . . 3 . . . . 65 F HD1 . 15507 1 752 . 1 1 65 65 PHE HE1 H 1 7.007 . . 3 . . . . 65 F HE1 . 15507 1 753 . 1 1 65 65 PHE HZ H 1 6.567 . . 1 . . . . 65 F HZ . 15507 1 754 . 1 1 65 65 PHE C C 13 174.932 . . 1 . . . . 65 F C . 15507 1 755 . 1 1 65 65 PHE CA C 13 56.010 . . 1 . . . . 65 F CA . 15507 1 756 . 1 1 65 65 PHE CB C 13 40.550 . . 1 . . . . 65 F CB . 15507 1 757 . 1 1 65 65 PHE CD1 C 13 132.263 . . 3 . . . . 65 F CD1 . 15507 1 758 . 1 1 65 65 PHE CE1 C 13 132.022 . . 3 . . . . 65 F CE1 . 15507 1 759 . 1 1 65 65 PHE CE2 C 13 132.391 . . 3 . . . . 65 F CE2 . 15507 1 760 . 1 1 65 65 PHE CZ C 13 129.798 . . 1 . . . . 65 F CZ . 15507 1 761 . 1 1 65 65 PHE N N 15 123.920 . . 1 . . . . 65 F N . 15507 1 762 . 1 1 66 66 ASP H H 1 7.143 . . 1 . . . . 66 D HN . 15507 1 763 . 1 1 66 66 ASP HA H 1 4.909 . . 1 . . . . 66 D HA . 15507 1 764 . 1 1 66 66 ASP HB2 H 1 3.185 . . 2 . . . . 66 D HB1 . 15507 1 765 . 1 1 66 66 ASP HB3 H 1 3.629 . . 2 . . . . 66 D HB2 . 15507 1 766 . 1 1 66 66 ASP C C 13 174.439 . . 1 . . . . 66 D C . 15507 1 767 . 1 1 66 66 ASP CA C 13 54.610 . . 1 . . . . 66 D CA . 15507 1 768 . 1 1 66 66 ASP CB C 13 43.040 . . 1 . . . . 66 D CB . 15507 1 769 . 1 1 66 66 ASP N N 15 119.575 . . 1 . . . . 66 D N . 15507 1 770 . 1 1 67 67 SER H H 1 8.362 . . 1 . . . . 67 S HN . 15507 1 771 . 1 1 67 67 SER HA H 1 5.106 . . 1 . . . . 67 S HA . 15507 1 772 . 1 1 67 67 SER HB2 H 1 3.661 . . 2 . . . . 67 S HB1 . 15507 1 773 . 1 1 67 67 SER HB3 H 1 4.211 . . 2 . . . . 67 S HB2 . 15507 1 774 . 1 1 67 67 SER C C 13 175.700 . . 1 . . . . 67 S C . 15507 1 775 . 1 1 67 67 SER CA C 13 56.770 . . 1 . . . . 67 S CA . 15507 1 776 . 1 1 67 67 SER CB C 13 64.650 . . 1 . . . . 67 S CB . 15507 1 777 . 1 1 67 67 SER N N 15 117.715 . . 1 . . . . 67 S N . 15507 1 778 . 1 1 68 68 THR H H 1 8.896 . . 1 . . . . 68 T HN . 15507 1 779 . 1 1 68 68 THR HA H 1 4.409 . . 1 . . . . 68 T HA . 15507 1 780 . 1 1 68 68 THR HB H 1 4.581 . . 1 . . . . 68 T HB . 15507 1 781 . 1 1 68 68 THR HG21 H 1 1.239 . . 1 . . . . 68 T HG21 . 15507 1 782 . 1 1 68 68 THR HG22 H 1 1.239 . . 1 . . . . 68 T HG21 . 15507 1 783 . 1 1 68 68 THR HG23 H 1 1.239 . . 1 . . . . 68 T HG21 . 15507 1 784 . 1 1 68 68 THR C C 13 176.939 . . 1 . . . . 68 T C . 15507 1 785 . 1 1 68 68 THR CA C 13 64.070 . . 1 . . . . 68 T CA . 15507 1 786 . 1 1 68 68 THR CB C 13 68.310 . . 1 . . . . 68 T CB . 15507 1 787 . 1 1 68 68 THR CG2 C 13 23.420 . . 1 . . . . 68 T CG2 . 15507 1 788 . 1 1 68 68 THR N N 15 119.668 . . 1 . . . . 68 T N . 15507 1 789 . 1 1 69 69 GLU H H 1 8.352 . . 1 . . . . 69 E HN . 15507 1 790 . 1 1 69 69 GLU HA H 1 4.063 . . 1 . . . . 69 E HA . 15507 1 791 . 1 1 69 69 GLU HB2 H 1 1.913 . . 2 . . . . 69 E HB1 . 15507 1 792 . 1 1 69 69 GLU HB3 H 1 1.997 . . 2 . . . . 69 E HB2 . 15507 1 793 . 1 1 69 69 GLU HG2 H 1 2.176 . . 2 . . . . 69 E HG1 . 15507 1 794 . 1 1 69 69 GLU HG3 H 1 2.240 . . 2 . . . . 69 E HG2 . 15507 1 795 . 1 1 69 69 GLU C C 13 178.145 . . 1 . . . . 69 E C . 15507 1 796 . 1 1 69 69 GLU CA C 13 58.690 . . 1 . . . . 69 E CA . 15507 1 797 . 1 1 69 69 GLU CB C 13 29.570 . . 1 . . . . 69 E CB . 15507 1 798 . 1 1 69 69 GLU CG C 13 36.457 . . 1 . . . . 69 E CG . 15507 1 799 . 1 1 69 69 GLU N N 15 122.614 . . 1 . . . . 69 E N . 15507 1 800 . 1 1 70 70 LYS H H 1 7.466 . . 1 . . . . 70 K HN . 15507 1 801 . 1 1 70 70 LYS HA H 1 4.167 . . 1 . . . . 70 K HA . 15507 1 802 . 1 1 70 70 LYS HB2 H 1 2.028 . . 2 . . . . 70 K HB2 . 15507 1 803 . 1 1 70 70 LYS HD2 H 1 1.802 . . 2 . . . . 70 K HD2 . 15507 1 804 . 1 1 70 70 LYS HE2 H 1 3.063 . . 2 . . . . 70 K HE2 . 15507 1 805 . 1 1 70 70 LYS HG2 H 1 1.551 . . 2 . . . . 70 K HG2 . 15507 1 806 . 1 1 70 70 LYS C C 13 178.067 . . 1 . . . . 70 K C . 15507 1 807 . 1 1 70 70 LYS CA C 13 58.580 . . 1 . . . . 70 K CA . 15507 1 808 . 1 1 70 70 LYS CB C 13 32.220 . . 1 . . . . 70 K CB . 15507 1 809 . 1 1 70 70 LYS CD C 13 28.964 . . 1 . . . . 70 K CD . 15507 1 810 . 1 1 70 70 LYS CE C 13 41.976 . . 1 . . . . 70 K CE . 15507 1 811 . 1 1 70 70 LYS CG C 13 25.023 . . 1 . . . . 70 K CG . 15507 1 812 . 1 1 70 70 LYS N N 15 117.311 . . 1 . . . . 70 K N . 15507 1 813 . 1 1 71 71 THR H H 1 7.575 . . 1 . . . . 71 T HN . 15507 1 814 . 1 1 71 71 THR HA H 1 4.387 . . 1 . . . . 71 T HA . 15507 1 815 . 1 1 71 71 THR HB H 1 4.354 . . 1 . . . . 71 T HB . 15507 1 816 . 1 1 71 71 THR HG21 H 1 1.344 . . 1 . . . . 71 T HG21 . 15507 1 817 . 1 1 71 71 THR HG22 H 1 1.344 . . 1 . . . . 71 T HG21 . 15507 1 818 . 1 1 71 71 THR HG23 H 1 1.344 . . 1 . . . . 71 T HG21 . 15507 1 819 . 1 1 71 71 THR C C 13 176.513 . . 1 . . . . 71 T C . 15507 1 820 . 1 1 71 71 THR CA C 13 62.360 . . 1 . . . . 71 T CA . 15507 1 821 . 1 1 71 71 THR CB C 13 69.950 . . 1 . . . . 71 T CB . 15507 1 822 . 1 1 71 71 THR CG2 C 13 22.067 . . 1 . . . . 71 T CG2 . 15507 1 823 . 1 1 71 71 THR N N 15 107.501 . . 1 . . . . 71 T N . 15507 1 824 . 1 1 72 72 GLY H H 1 8.067 . . 1 . . . . 72 G HN . 15507 1 825 . 1 1 72 72 GLY HA2 H 1 3.820 . . 2 . . . . 72 G HA1 . 15507 1 826 . 1 1 72 72 GLY HA3 H 1 4.162 . . 2 . . . . 72 G HA2 . 15507 1 827 . 1 1 72 72 GLY C C 13 173.476 . . 1 . . . . 72 G C . 15507 1 828 . 1 1 72 72 GLY CA C 13 45.870 . . 1 . . . . 72 G CA . 15507 1 829 . 1 1 72 72 GLY N N 15 109.801 . . 1 . . . . 72 G N . 15507 1 830 . 1 1 73 73 LYS H H 1 7.656 . . 1 . . . . 73 K HN . 15507 1 831 . 1 1 73 73 LYS HA H 1 4.898 . . 1 . . . . 73 K HA . 15507 1 832 . 1 1 73 73 LYS HB2 H 1 1.692 . . 2 . . . . 73 K HB1 . 15507 1 833 . 1 1 73 73 LYS HB3 H 1 1.874 . . 2 . . . . 73 K HB2 . 15507 1 834 . 1 1 73 73 LYS HD2 H 1 1.754 . . 2 . . . . 73 K HD2 . 15507 1 835 . 1 1 73 73 LYS HE2 H 1 3.043 . . 2 . . . . 73 K HE2 . 15507 1 836 . 1 1 73 73 LYS HG2 H 1 1.440 . . 2 . . . . 73 K HG2 . 15507 1 837 . 1 1 73 73 LYS CA C 13 53.120 . . 1 . . . . 73 K CA . 15507 1 838 . 1 1 73 73 LYS CB C 13 33.940 . . 1 . . . . 73 K CB . 15507 1 839 . 1 1 73 73 LYS CD C 13 29.017 . . 1 . . . . 73 K CD . 15507 1 840 . 1 1 73 73 LYS CE C 13 42.145 . . 1 . . . . 73 K CE . 15507 1 841 . 1 1 73 73 LYS CG C 13 24.650 . . 1 . . . . 73 K CG . 15507 1 842 . 1 1 73 73 LYS N N 15 119.670 . . 1 . . . . 73 K N . 15507 1 843 . 1 1 74 74 PRO HA H 1 4.547 . . 1 . . . . 74 P HA . 15507 1 844 . 1 1 74 74 PRO HB2 H 1 1.696 . . 2 . . . . 74 P HB1 . 15507 1 845 . 1 1 74 74 PRO HB3 H 1 2.023 . . 2 . . . . 74 P HB2 . 15507 1 846 . 1 1 74 74 PRO HD2 H 1 3.607 . . 2 . . . . 74 P HD1 . 15507 1 847 . 1 1 74 74 PRO HD3 H 1 3.839 . . 2 . . . . 74 P HD2 . 15507 1 848 . 1 1 74 74 PRO HG2 H 1 1.853 . . 2 . . . . 74 P HG2 . 15507 1 849 . 1 1 74 74 PRO C C 13 175.412 . . 1 . . . . 74 P C . 15507 1 850 . 1 1 74 74 PRO CA C 13 62.640 . . 1 . . . . 74 P CA . 15507 1 851 . 1 1 74 74 PRO CB C 13 32.996 . . 1 . . . . 74 P CB . 15507 1 852 . 1 1 74 74 PRO CD C 13 50.379 . . 1 . . . . 74 P CD . 15507 1 853 . 1 1 74 74 PRO CG C 13 26.693 . . 1 . . . . 74 P CG . 15507 1 854 . 1 1 75 75 ALA H H 1 8.924 . . 1 . . . . 75 A HN . 15507 1 855 . 1 1 75 75 ALA HA H 1 4.814 . . 1 . . . . 75 A HA . 15507 1 856 . 1 1 75 75 ALA HB1 H 1 1.579 . . 1 . . . . 75 A HB1 . 15507 1 857 . 1 1 75 75 ALA HB2 H 1 1.579 . . 1 . . . . 75 A HB1 . 15507 1 858 . 1 1 75 75 ALA HB3 H 1 1.579 . . 1 . . . . 75 A HB1 . 15507 1 859 . 1 1 75 75 ALA C C 13 175.707 . . 1 . . . . 75 A C . 15507 1 860 . 1 1 75 75 ALA CA C 13 50.920 . . 1 . . . . 75 A CA . 15507 1 861 . 1 1 75 75 ALA CB C 13 22.480 . . 1 . . . . 75 A CB . 15507 1 862 . 1 1 75 75 ALA N N 15 124.845 . . 1 . . . . 75 A N . 15507 1 863 . 1 1 76 76 THR H H 1 8.135 . . 1 . . . . 76 T HN . 15507 1 864 . 1 1 76 76 THR HA H 1 5.567 . . 1 . . . . 76 T HA . 15507 1 865 . 1 1 76 76 THR HB H 1 3.722 . . 1 . . . . 76 T HB . 15507 1 866 . 1 1 76 76 THR HG21 H 1 1.027 . . 1 . . . . 76 T HG21 . 15507 1 867 . 1 1 76 76 THR HG22 H 1 1.027 . . 1 . . . . 76 T HG21 . 15507 1 868 . 1 1 76 76 THR HG23 H 1 1.027 . . 1 . . . . 76 T HG21 . 15507 1 869 . 1 1 76 76 THR C C 13 173.562 . . 1 . . . . 76 T C . 15507 1 870 . 1 1 76 76 THR CA C 13 60.650 . . 1 . . . . 76 T CA . 15507 1 871 . 1 1 76 76 THR CB C 13 71.610 . . 1 . . . . 76 T CB . 15507 1 872 . 1 1 76 76 THR CG2 C 13 21.236 . . 1 . . . . 76 T CG2 . 15507 1 873 . 1 1 76 76 THR N N 15 116.689 . . 1 . . . . 76 T N . 15507 1 874 . 1 1 77 77 PHE H H 1 8.297 . . 1 . . . . 77 F HN . 15507 1 875 . 1 1 77 77 PHE HA H 1 4.905 . . 1 . . . . 77 F HA . 15507 1 876 . 1 1 77 77 PHE HB2 H 1 2.851 . . 2 . . . . 77 F HB1 . 15507 1 877 . 1 1 77 77 PHE HB3 H 1 3.281 . . 2 . . . . 77 F HB2 . 15507 1 878 . 1 1 77 77 PHE HD1 H 1 6.889 . . 3 . . . . 77 F HD1 . 15507 1 879 . 1 1 77 77 PHE HE1 H 1 6.811 . . 3 . . . . 77 F HE1 . 15507 1 880 . 1 1 77 77 PHE HZ H 1 6.914 . . 1 . . . . 77 F HZ . 15507 1 881 . 1 1 77 77 PHE C C 13 174.237 . . 1 . . . . 77 F C . 15507 1 882 . 1 1 77 77 PHE CA C 13 55.800 . . 1 . . . . 77 F CA . 15507 1 883 . 1 1 77 77 PHE CB C 13 40.900 . . 1 . . . . 77 F CB . 15507 1 884 . 1 1 77 77 PHE CD1 C 13 132.345 . . 3 . . . . 77 F CD1 . 15507 1 885 . 1 1 77 77 PHE CE1 C 13 129.817 . . 3 . . . . 77 F CE1 . 15507 1 886 . 1 1 77 77 PHE CZ C 13 128.648 . . 1 . . . . 77 F CZ . 15507 1 887 . 1 1 77 77 PHE N N 15 120.685 . . 1 . . . . 77 F N . 15507 1 888 . 1 1 78 78 GLN H H 1 8.714 . . 1 . . . . 78 Q HN . 15507 1 889 . 1 1 78 78 GLN HA H 1 5.189 . . 1 . . . . 78 Q HA . 15507 1 890 . 1 1 78 78 GLN HB2 H 1 1.776 . . 2 . . . . 78 Q HB1 . 15507 1 891 . 1 1 78 78 GLN HB3 H 1 2.030 . . 2 . . . . 78 Q HB2 . 15507 1 892 . 1 1 78 78 GLN HE21 H 1 7.396 . . 2 . . . . 78 Q HE21 . 15507 1 893 . 1 1 78 78 GLN HE22 H 1 6.821 . . 2 . . . . 78 Q HE22 . 15507 1 894 . 1 1 78 78 GLN HG2 H 1 2.327 . . 2 . . . . 78 Q HG1 . 15507 1 895 . 1 1 78 78 GLN HG3 H 1 2.398 . . 2 . . . . 78 Q HG2 . 15507 1 896 . 1 1 78 78 GLN C C 13 177.946 . . 1 . . . . 78 Q C . 15507 1 897 . 1 1 78 78 GLN CA C 13 55.400 . . 1 . . . . 78 Q CA . 15507 1 898 . 1 1 78 78 GLN CB C 13 29.980 . . 1 . . . . 78 Q CB . 15507 1 899 . 1 1 78 78 GLN CG C 13 34.674 . . 1 . . . . 78 Q CG . 15507 1 900 . 1 1 78 78 GLN N N 15 119.612 . . 1 . . . . 78 Q N . 15507 1 901 . 1 1 78 78 GLN NE2 N 15 110.781 . . 1 . . . . 78 Q NE2 . 15507 1 902 . 1 1 79 79 VAL H H 1 8.421 . . 1 . . . . 79 V HN . 15507 1 903 . 1 1 79 79 VAL HA H 1 3.409 . . 1 . . . . 79 V HA . 15507 1 904 . 1 1 79 79 VAL HB H 1 2.304 . . 1 . . . . 79 V HB . 15507 1 905 . 1 1 79 79 VAL HG11 H 1 1.010 . . 2 . . . . 79 V HG11 . 15507 1 906 . 1 1 79 79 VAL HG12 H 1 1.010 . . 2 . . . . 79 V HG11 . 15507 1 907 . 1 1 79 79 VAL HG13 H 1 1.010 . . 2 . . . . 79 V HG11 . 15507 1 908 . 1 1 79 79 VAL HG21 H 1 1.090 . . 2 . . . . 79 V HG21 . 15507 1 909 . 1 1 79 79 VAL HG22 H 1 1.090 . . 2 . . . . 79 V HG21 . 15507 1 910 . 1 1 79 79 VAL HG23 H 1 1.090 . . 2 . . . . 79 V HG21 . 15507 1 911 . 1 1 79 79 VAL C C 13 175.133 . . 1 . . . . 79 V C . 15507 1 912 . 1 1 79 79 VAL CA C 13 67.100 . . 1 . . . . 79 V CA . 15507 1 913 . 1 1 79 79 VAL CB C 13 32.030 . . 1 . . . . 79 V CB . 15507 1 914 . 1 1 79 79 VAL CG1 C 13 23.519 . . 1 . . . . 79 V CG1 . 15507 1 915 . 1 1 79 79 VAL CG2 C 13 24.919 . . 1 . . . . 79 V CG2 . 15507 1 916 . 1 1 79 79 VAL N N 15 124.328 . . 1 . . . . 79 V N . 15507 1 917 . 1 1 80 80 SER H H 1 7.666 . . 1 . . . . 80 S HN . 15507 1 918 . 1 1 80 80 SER HA H 1 4.349 . . 1 . . . . 80 S HA . 15507 1 919 . 1 1 80 80 SER HB2 H 1 3.959 . . 2 . . . . 80 S HB1 . 15507 1 920 . 1 1 80 80 SER HB3 H 1 4.146 . . 2 . . . . 80 S HB2 . 15507 1 921 . 1 1 80 80 SER C C 13 175.445 . . 1 . . . . 80 S C . 15507 1 922 . 1 1 80 80 SER CA C 13 59.200 . . 1 . . . . 80 S CA . 15507 1 923 . 1 1 80 80 SER CB C 13 63.280 . . 1 . . . . 80 S CB . 15507 1 924 . 1 1 80 80 SER N N 15 108.976 . . 1 . . . . 80 S N . 15507 1 925 . 1 1 81 81 GLN H H 1 7.809 . . 1 . . . . 81 Q HN . 15507 1 926 . 1 1 81 81 GLN HA H 1 4.344 . . 1 . . . . 81 Q HA . 15507 1 927 . 1 1 81 81 GLN HB2 H 1 2.254 . . 2 . . . . 81 Q HB1 . 15507 1 928 . 1 1 81 81 GLN HB3 H 1 2.322 . . 2 . . . . 81 Q HB2 . 15507 1 929 . 1 1 81 81 GLN HE21 H 1 7.508 . . 2 . . . . 81 Q HE21 . 15507 1 930 . 1 1 81 81 GLN HE22 H 1 6.718 . . 2 . . . . 81 Q HE22 . 15507 1 931 . 1 1 81 81 GLN HG2 H 1 2.393 . . 2 . . . . 81 Q HG1 . 15507 1 932 . 1 1 81 81 GLN HG3 H 1 2.465 . . 2 . . . . 81 Q HG2 . 15507 1 933 . 1 1 81 81 GLN C C 13 174.270 . . 1 . . . . 81 Q C . 15507 1 934 . 1 1 81 81 GLN CA C 13 56.130 . . 1 . . . . 81 Q CA . 15507 1 935 . 1 1 81 81 GLN CB C 13 28.520 . . 1 . . . . 81 Q CB . 15507 1 936 . 1 1 81 81 GLN CG C 13 34.454 . . 1 . . . . 81 Q CG . 15507 1 937 . 1 1 81 81 GLN N N 15 120.100 . . 1 . . . . 81 Q N . 15507 1 938 . 1 1 81 81 GLN NE2 N 15 111.787 . . 1 . . . . 81 Q NE2 . 15507 1 939 . 1 1 82 82 VAL H H 1 6.327 . . 1 . . . . 82 V HN . 15507 1 940 . 1 1 82 82 VAL HA H 1 4.404 . . 1 . . . . 82 V HA . 15507 1 941 . 1 1 82 82 VAL HB H 1 1.474 . . 1 . . . . 82 V HB . 15507 1 942 . 1 1 82 82 VAL HG11 H 1 0.795 . . 2 . . . . 82 V HG11 . 15507 1 943 . 1 1 82 82 VAL HG12 H 1 0.795 . . 2 . . . . 82 V HG11 . 15507 1 944 . 1 1 82 82 VAL HG13 H 1 0.795 . . 2 . . . . 82 V HG11 . 15507 1 945 . 1 1 82 82 VAL C C 13 174.547 . . 1 . . . . 82 V C . 15507 1 946 . 1 1 82 82 VAL CA C 13 58.980 . . 1 . . . . 82 V CA . 15507 1 947 . 1 1 82 82 VAL CB C 13 35.070 . . 1 . . . . 82 V CB . 15507 1 948 . 1 1 82 82 VAL CG1 C 13 18.902 . . 1 . . . . 82 V CG1 . 15507 1 949 . 1 1 82 82 VAL CG2 C 13 22.457 . . 1 . . . . 82 V CG2 . 15507 1 950 . 1 1 82 82 VAL N N 15 131.719 . . 1 . . . . 82 V N . 15507 1 951 . 1 1 83 83 ILE H H 1 7.085 . . 1 . . . . 83 I HN . 15507 1 952 . 1 1 83 83 ILE HA H 1 4.101 . . 1 . . . . 83 I HA . 15507 1 953 . 1 1 83 83 ILE HB H 1 2.216 . . 1 . . . . 83 I HB . 15507 1 954 . 1 1 83 83 ILE HD11 H 1 0.916 . . 1 . . . . 83 I HD11 . 15507 1 955 . 1 1 83 83 ILE HD12 H 1 0.916 . . 1 . . . . 83 I HD11 . 15507 1 956 . 1 1 83 83 ILE HD13 H 1 0.916 . . 1 . . . . 83 I HD11 . 15507 1 957 . 1 1 83 83 ILE HG12 H 1 0.838 . . 1 . . . . 83 I HG11 . 15507 1 958 . 1 1 83 83 ILE HG13 H 1 1.540 . . 1 . . . . 83 I HG12 . 15507 1 959 . 1 1 83 83 ILE HG21 H 1 0.435 . . 1 . . . . 83 I HG21 . 15507 1 960 . 1 1 83 83 ILE HG22 H 1 0.435 . . 1 . . . . 83 I HG21 . 15507 1 961 . 1 1 83 83 ILE HG23 H 1 0.435 . . 1 . . . . 83 I HG21 . 15507 1 962 . 1 1 83 83 ILE CA C 13 60.670 . . 1 . . . . 83 I CA . 15507 1 963 . 1 1 83 83 ILE CB C 13 36.190 . . 1 . . . . 83 I CB . 15507 1 964 . 1 1 83 83 ILE CD1 C 13 13.707 . . 1 . . . . 83 I CD1 . 15507 1 965 . 1 1 83 83 ILE CG1 C 13 25.465 . . 1 . . . . 83 I CG1 . 15507 1 966 . 1 1 83 83 ILE CG2 C 13 19.723 . . 1 . . . . 83 I CG2 . 15507 1 967 . 1 1 83 83 ILE N N 15 132.649 . . 1 . . . . 83 I N . 15507 1 968 . 1 1 84 84 PRO HA H 1 4.444 . . 1 . . . . 84 P HA . 15507 1 969 . 1 1 84 84 PRO HB2 H 1 1.940 . . 2 . . . . 84 P HB1 . 15507 1 970 . 1 1 84 84 PRO HB3 H 1 2.527 . . 2 . . . . 84 P HB2 . 15507 1 971 . 1 1 84 84 PRO HD2 H 1 3.505 . . 2 . . . . 84 P HD1 . 15507 1 972 . 1 1 84 84 PRO HD3 H 1 3.902 . . 2 . . . . 84 P HD2 . 15507 1 973 . 1 1 84 84 PRO HG2 H 1 2.143 . . 2 . . . . 84 P HG1 . 15507 1 974 . 1 1 84 84 PRO HG3 H 1 2.265 . . 2 . . . . 84 P HG2 . 15507 1 975 . 1 1 84 84 PRO C C 13 179.910 . . 1 . . . . 84 P C . 15507 1 976 . 1 1 84 84 PRO CA C 13 66.221 . . 1 . . . . 84 P CA . 15507 1 977 . 1 1 84 84 PRO CB C 13 32.501 . . 1 . . . . 84 P CB . 15507 1 978 . 1 1 84 84 PRO CD C 13 50.622 . . 1 . . . . 84 P CD . 15507 1 979 . 1 1 84 84 PRO CG C 13 27.470 . . 1 . . . . 84 P CG . 15507 1 980 . 1 1 85 85 GLY H H 1 9.355 . . 1 . . . . 85 G HN . 15507 1 981 . 1 1 85 85 GLY HA2 H 1 3.655 . . 2 . . . . 85 G HA1 . 15507 1 982 . 1 1 85 85 GLY HA3 H 1 4.105 . . 2 . . . . 85 G HA2 . 15507 1 983 . 1 1 85 85 GLY C C 13 174.906 . . 1 . . . . 85 G C . 15507 1 984 . 1 1 85 85 GLY CA C 13 48.010 . . 1 . . . . 85 G CA . 15507 1 985 . 1 1 85 85 GLY N N 15 102.497 . . 1 . . . . 85 G N . 15507 1 986 . 1 1 86 86 TRP H H 1 7.680 . . 1 . . . . 86 W HN . 15507 1 987 . 1 1 86 86 TRP HA H 1 3.917 . . 1 . . . . 86 W HA . 15507 1 988 . 1 1 86 86 TRP HB2 H 1 2.950 . . 2 . . . . 86 W HB1 . 15507 1 989 . 1 1 86 86 TRP HB3 H 1 3.185 . . 2 . . . . 86 W HB2 . 15507 1 990 . 1 1 86 86 TRP HD1 H 1 6.297 . . 1 . . . . 86 W HD1 . 15507 1 991 . 1 1 86 86 TRP HE3 H 1 7.300 . . 1 . . . . 86 W HE3 . 15507 1 992 . 1 1 86 86 TRP HH2 H 1 6.650 . . 1 . . . . 86 W HH2 . 15507 1 993 . 1 1 86 86 TRP HZ2 H 1 6.337 . . 1 . . . . 86 W HZ2 . 15507 1 994 . 1 1 86 86 TRP HZ3 H 1 6.903 . . 1 . . . . 86 W HZ3 . 15507 1 995 . 1 1 86 86 TRP C C 13 177.178 . . 1 . . . . 86 W C . 15507 1 996 . 1 1 86 86 TRP CA C 13 61.880 . . 1 . . . . 86 W CA . 15507 1 997 . 1 1 86 86 TRP CB C 13 28.390 . . 1 . . . . 86 W CB . 15507 1 998 . 1 1 86 86 TRP CD1 C 13 121.842 . . 1 . . . . 86 W CD1 . 15507 1 999 . 1 1 86 86 TRP CE3 C 13 119.167 . . 1 . . . . 86 W CE3 . 15507 1 1000 . 1 1 86 86 TRP CH2 C 13 124.241 . . 1 . . . . 86 W CH2 . 15507 1 1001 . 1 1 86 86 TRP CZ2 C 13 112.994 . . 1 . . . . 86 W CZ2 . 15507 1 1002 . 1 1 86 86 TRP CZ3 C 13 121.195 . . 1 . . . . 86 W CZ3 . 15507 1 1003 . 1 1 86 86 TRP N N 15 117.819 . . 1 . . . . 86 W N . 15507 1 1004 . 1 1 86 86 TRP NE1 N 15 121.824 . . 1 . . . . 86 W NE1 . 15507 1 1005 . 1 1 87 87 THR H H 1 8.372 . . 1 . . . . 87 T HN . 15507 1 1006 . 1 1 87 87 THR HA H 1 3.748 . . 1 . . . . 87 T HA . 15507 1 1007 . 1 1 87 87 THR HB H 1 3.999 . . 1 . . . . 87 T HB . 15507 1 1008 . 1 1 87 87 THR HG21 H 1 1.193 . . 1 . . . . 87 T HG21 . 15507 1 1009 . 1 1 87 87 THR HG22 H 1 1.193 . . 1 . . . . 87 T HG21 . 15507 1 1010 . 1 1 87 87 THR HG23 H 1 1.193 . . 1 . . . . 87 T HG21 . 15507 1 1011 . 1 1 87 87 THR C C 13 176.079 . . 1 . . . . 87 T C . 15507 1 1012 . 1 1 87 87 THR CA C 13 67.480 . . 1 . . . . 87 T CA . 15507 1 1013 . 1 1 87 87 THR CB C 13 69.240 . . 1 . . . . 87 T CB . 15507 1 1014 . 1 1 87 87 THR CG2 C 13 22.057 . . 1 . . . . 87 T CG2 . 15507 1 1015 . 1 1 87 87 THR N N 15 117.659 . . 1 . . . . 87 T N . 15507 1 1016 . 1 1 88 88 GLU H H 1 8.076 . . 1 . . . . 88 E HN . 15507 1 1017 . 1 1 88 88 GLU HA H 1 3.894 . . 1 . . . . 88 E HA . 15507 1 1018 . 1 1 88 88 GLU HB2 H 1 1.968 . . 2 . . . . 88 E HB2 . 15507 1 1019 . 1 1 88 88 GLU C C 13 177.957 . . 1 . . . . 88 E C . 15507 1 1020 . 1 1 88 88 GLU CA C 13 59.350 . . 1 . . . . 88 E CA . 15507 1 1021 . 1 1 88 88 GLU CB C 13 29.510 . . 1 . . . . 88 E CB . 15507 1 1022 . 1 1 88 88 GLU N N 15 118.832 . . 1 . . . . 88 E N . 15507 1 1023 . 1 1 89 89 ALA H H 1 7.272 . . 1 . . . . 89 A HN . 15507 1 1024 . 1 1 89 89 ALA HA H 1 3.710 . . 1 . . . . 89 A HA . 15507 1 1025 . 1 1 89 89 ALA HB1 H 1 1.310 . . 1 . . . . 89 A HB1 . 15507 1 1026 . 1 1 89 89 ALA HB2 H 1 1.310 . . 1 . . . . 89 A HB1 . 15507 1 1027 . 1 1 89 89 ALA HB3 H 1 1.310 . . 1 . . . . 89 A HB1 . 15507 1 1028 . 1 1 89 89 ALA C C 13 179.179 . . 1 . . . . 89 A C . 15507 1 1029 . 1 1 89 89 ALA CA C 13 55.460 . . 1 . . . . 89 A CA . 15507 1 1030 . 1 1 89 89 ALA CB C 13 18.930 . . 1 . . . . 89 A CB . 15507 1 1031 . 1 1 89 89 ALA N N 15 118.554 . . 1 . . . . 89 A N . 15507 1 1032 . 1 1 90 90 LEU H H 1 8.759 . . 1 . . . . 90 L HN . 15507 1 1033 . 1 1 90 90 LEU HA H 1 3.621 . . 1 . . . . 90 L HA . 15507 1 1034 . 1 1 90 90 LEU HB2 H 1 1.060 . . 2 . . . . 90 L HB1 . 15507 1 1035 . 1 1 90 90 LEU HB3 H 1 1.906 . . 2 . . . . 90 L HB2 . 15507 1 1036 . 1 1 90 90 LEU HD11 H 1 1.180 . . 2 . . . . 90 L HD11 . 15507 1 1037 . 1 1 90 90 LEU HD12 H 1 1.180 . . 2 . . . . 90 L HD11 . 15507 1 1038 . 1 1 90 90 LEU HD13 H 1 1.180 . . 2 . . . . 90 L HD11 . 15507 1 1039 . 1 1 90 90 LEU HD21 H 1 0.856 . . 2 . . . . 90 L HD21 . 15507 1 1040 . 1 1 90 90 LEU HD22 H 1 0.856 . . 2 . . . . 90 L HD21 . 15507 1 1041 . 1 1 90 90 LEU HD23 H 1 0.856 . . 2 . . . . 90 L HD21 . 15507 1 1042 . 1 1 90 90 LEU HG H 1 1.870 . . 1 . . . . 90 L HG . 15507 1 1043 . 1 1 90 90 LEU C C 13 178.047 . . 1 . . . . 90 L C . 15507 1 1044 . 1 1 90 90 LEU CA C 13 57.830 . . 1 . . . . 90 L CA . 15507 1 1045 . 1 1 90 90 LEU CB C 13 42.580 . . 1 . . . . 90 L CB . 15507 1 1046 . 1 1 90 90 LEU CD1 C 13 27.650 . . 1 . . . . 90 L CD1 . 15507 1 1047 . 1 1 90 90 LEU CD2 C 13 23.134 . . 1 . . . . 90 L CD2 . 15507 1 1048 . 1 1 90 90 LEU CG C 13 27.908 . . 1 . . . . 90 L CG . 15507 1 1049 . 1 1 90 90 LEU N N 15 113.125 . . 1 . . . . 90 L N . 15507 1 1050 . 1 1 91 91 GLN H H 1 6.330 . . 1 . . . . 91 Q HN . 15507 1 1051 . 1 1 91 91 GLN HA H 1 4.376 . . 1 . . . . 91 Q HA . 15507 1 1052 . 1 1 91 91 GLN HB2 H 1 1.796 . . 2 . . . . 91 Q HB1 . 15507 1 1053 . 1 1 91 91 GLN HB3 H 1 2.342 . . 2 . . . . 91 Q HB2 . 15507 1 1054 . 1 1 91 91 GLN HE21 H 1 6.998 . . 2 . . . . 91 Q HE21 . 15507 1 1055 . 1 1 91 91 GLN HE22 H 1 6.844 . . 2 . . . . 91 Q HE22 . 15507 1 1056 . 1 1 91 91 GLN HG2 H 1 2.116 . . 2 . . . . 91 Q HG1 . 15507 1 1057 . 1 1 91 91 GLN HG3 H 1 2.502 . . 2 . . . . 91 Q HG2 . 15507 1 1058 . 1 1 91 91 GLN C C 13 176.335 . . 1 . . . . 91 Q C . 15507 1 1059 . 1 1 91 91 GLN CA C 13 57.330 . . 1 . . . . 91 Q CA . 15507 1 1060 . 1 1 91 91 GLN CB C 13 31.660 . . 1 . . . . 91 Q CB . 15507 1 1061 . 1 1 91 91 GLN CG C 13 35.980 . . 1 . . . . 91 Q CG . 15507 1 1062 . 1 1 91 91 GLN N N 15 108.579 . . 1 . . . . 91 Q N . 15507 1 1063 . 1 1 91 91 GLN NE2 N 15 110.781 . . 1 . . . . 91 Q NE2 . 15507 1 1064 . 1 1 92 92 LEU H H 1 7.344 . . 1 . . . . 92 L HN . 15507 1 1065 . 1 1 92 92 LEU HA H 1 4.280 . . 1 . . . . 92 L HA . 15507 1 1066 . 1 1 92 92 LEU HB2 H 1 1.702 . . 2 . . . . 92 L HB1 . 15507 1 1067 . 1 1 92 92 LEU HB3 H 1 1.973 . . 2 . . . . 92 L HB2 . 15507 1 1068 . 1 1 92 92 LEU HD11 H 1 0.910 . . 2 . . . . 92 L HD11 . 15507 1 1069 . 1 1 92 92 LEU HD12 H 1 0.910 . . 2 . . . . 92 L HD11 . 15507 1 1070 . 1 1 92 92 LEU HD13 H 1 0.910 . . 2 . . . . 92 L HD11 . 15507 1 1071 . 1 1 92 92 LEU HD21 H 1 0.999 . . 2 . . . . 92 L HD21 . 15507 1 1072 . 1 1 92 92 LEU HD22 H 1 0.999 . . 2 . . . . 92 L HD21 . 15507 1 1073 . 1 1 92 92 LEU HD23 H 1 0.999 . . 2 . . . . 92 L HD21 . 15507 1 1074 . 1 1 92 92 LEU HG H 1 1.823 . . 1 . . . . 92 L HG . 15507 1 1075 . 1 1 92 92 LEU C C 13 176.067 . . 1 . . . . 92 L C . 15507 1 1076 . 1 1 92 92 LEU CA C 13 54.270 . . 1 . . . . 92 L CA . 15507 1 1077 . 1 1 92 92 LEU CB C 13 44.040 . . 1 . . . . 92 L CB . 15507 1 1078 . 1 1 92 92 LEU CD1 C 13 22.283 . . 1 . . . . 92 L CD1 . 15507 1 1079 . 1 1 92 92 LEU CD2 C 13 26.285 . . 1 . . . . 92 L CD2 . 15507 1 1080 . 1 1 92 92 LEU CG C 13 26.137 . . 1 . . . . 92 L CG . 15507 1 1081 . 1 1 92 92 LEU N N 15 117.191 . . 1 . . . . 92 L N . 15507 1 1082 . 1 1 93 93 MET H H 1 6.968 . . 1 . . . . 93 M HN . 15507 1 1083 . 1 1 93 93 MET HA H 1 3.585 . . 1 . . . . 93 M HA . 15507 1 1084 . 1 1 93 93 MET HB2 H 1 1.041 . . 2 . . . . 93 M HB1 . 15507 1 1085 . 1 1 93 93 MET HB3 H 1 1.412 . . 2 . . . . 93 M HB2 . 15507 1 1086 . 1 1 93 93 MET HG3 H 1 1.243 . . 2 . . . . 93 M HG2 . 15507 1 1087 . 1 1 93 93 MET CA C 13 54.270 . . 1 . . . . 93 M CA . 15507 1 1088 . 1 1 93 93 MET CB C 13 35.130 . . 1 . . . . 93 M CB . 15507 1 1089 . 1 1 93 93 MET CG C 13 30.114 . . 1 . . . . 93 M CG . 15507 1 1090 . 1 1 93 93 MET N N 15 120.954 . . 1 . . . . 93 M N . 15507 1 1091 . 1 1 94 94 PRO HA H 1 3.903 . . 1 . . . . 94 P HA . 15507 1 1092 . 1 1 94 94 PRO HB2 H 1 1.292 . . 2 . . . . 94 P HB1 . 15507 1 1093 . 1 1 94 94 PRO HB3 H 1 2.456 . . 2 . . . . 94 P HB2 . 15507 1 1094 . 1 1 94 94 PRO HD2 H 1 3.663 . . 2 . . . . 94 P HD1 . 15507 1 1095 . 1 1 94 94 PRO HD3 H 1 4.447 . . 2 . . . . 94 P HD2 . 15507 1 1096 . 1 1 94 94 PRO HG2 H 1 1.798 . . 2 . . . . 94 P HG1 . 15507 1 1097 . 1 1 94 94 PRO HG3 H 1 2.106 . . 2 . . . . 94 P HG2 . 15507 1 1098 . 1 1 94 94 PRO C C 13 180.538 . . 1 . . . . 94 P C . 15507 1 1099 . 1 1 94 94 PRO CA C 13 61.645 . . 1 . . . . 94 P CA . 15507 1 1100 . 1 1 94 94 PRO CB C 13 32.757 . . 1 . . . . 94 P CB . 15507 1 1101 . 1 1 94 94 PRO CD C 13 50.348 . . 1 . . . . 94 P CD . 15507 1 1102 . 1 1 94 94 PRO CG C 13 28.160 . . 1 . . . . 94 P CG . 15507 1 1103 . 1 1 95 95 ALA H H 1 8.643 . . 1 . . . . 95 A HN . 15507 1 1104 . 1 1 95 95 ALA HA H 1 3.666 . . 1 . . . . 95 A HA . 15507 1 1105 . 1 1 95 95 ALA HB1 H 1 1.399 . . 1 . . . . 95 A HB1 . 15507 1 1106 . 1 1 95 95 ALA HB2 H 1 1.399 . . 1 . . . . 95 A HB1 . 15507 1 1107 . 1 1 95 95 ALA HB3 H 1 1.399 . . 1 . . . . 95 A HB1 . 15507 1 1108 . 1 1 95 95 ALA C C 13 176.390 . . 1 . . . . 95 A C . 15507 1 1109 . 1 1 95 95 ALA CA C 13 54.850 . . 1 . . . . 95 A CA . 15507 1 1110 . 1 1 95 95 ALA CB C 13 17.300 . . 1 . . . . 95 A CB . 15507 1 1111 . 1 1 95 95 ALA N N 15 129.029 . . 1 . . . . 95 A N . 15507 1 1112 . 1 1 96 96 GLY H H 1 8.528 . . 1 . . . . 96 G HN . 15507 1 1113 . 1 1 96 96 GLY HA2 H 1 4.002 . . 2 . . . . 96 G HA1 . 15507 1 1114 . 1 1 96 96 GLY HA3 H 1 4.682 . . 2 . . . . 96 G HA2 . 15507 1 1115 . 1 1 96 96 GLY C C 13 175.637 . . 1 . . . . 96 G C . 15507 1 1116 . 1 1 96 96 GLY CA C 13 44.760 . . 1 . . . . 96 G CA . 15507 1 1117 . 1 1 96 96 GLY N N 15 109.602 . . 1 . . . . 96 G N . 15507 1 1118 . 1 1 97 97 SER H H 1 7.818 . . 1 . . . . 97 S HN . 15507 1 1119 . 1 1 97 97 SER HA H 1 4.749 . . 1 . . . . 97 S HA . 15507 1 1120 . 1 1 97 97 SER HB2 H 1 3.549 . . 2 . . . . 97 S HB1 . 15507 1 1121 . 1 1 97 97 SER HB3 H 1 4.176 . . 2 . . . . 97 S HB2 . 15507 1 1122 . 1 1 97 97 SER C C 13 173.279 . . 1 . . . . 97 S C . 15507 1 1123 . 1 1 97 97 SER CA C 13 59.320 . . 1 . . . . 97 S CA . 15507 1 1124 . 1 1 97 97 SER CB C 13 64.900 . . 1 . . . . 97 S CB . 15507 1 1125 . 1 1 97 97 SER N N 15 116.384 . . 1 . . . . 97 S N . 15507 1 1126 . 1 1 98 98 THR H H 1 9.390 . . 1 . . . . 98 T HN . 15507 1 1127 . 1 1 98 98 THR HA H 1 5.939 . . 1 . . . . 98 T HA . 15507 1 1128 . 1 1 98 98 THR HB H 1 4.025 . . 1 . . . . 98 T HB . 15507 1 1129 . 1 1 98 98 THR HG21 H 1 1.094 . . 1 . . . . 98 T HG21 . 15507 1 1130 . 1 1 98 98 THR HG22 H 1 1.094 . . 1 . . . . 98 T HG21 . 15507 1 1131 . 1 1 98 98 THR HG23 H 1 1.094 . . 1 . . . . 98 T HG21 . 15507 1 1132 . 1 1 98 98 THR C C 13 173.681 . . 1 . . . . 98 T C . 15507 1 1133 . 1 1 98 98 THR CA C 13 62.090 . . 1 . . . . 98 T CA . 15507 1 1134 . 1 1 98 98 THR CB C 13 70.070 . . 1 . . . . 98 T CB . 15507 1 1135 . 1 1 98 98 THR CG2 C 13 20.570 . . 1 . . . . 98 T CG2 . 15507 1 1136 . 1 1 98 98 THR N N 15 118.404 . . 1 . . . . 98 T N . 15507 1 1137 . 1 1 99 99 TRP H H 1 9.398 . . 1 . . . . 99 W HN . 15507 1 1138 . 1 1 99 99 TRP HA H 1 5.668 . . 1 . . . . 99 W HA . 15507 1 1139 . 1 1 99 99 TRP HB2 H 1 2.964 . . 2 . . . . 99 W HB1 . 15507 1 1140 . 1 1 99 99 TRP HB3 H 1 3.250 . . 2 . . . . 99 W HB2 . 15507 1 1141 . 1 1 99 99 TRP HD1 H 1 7.248 . . 1 . . . . 99 W HD1 . 15507 1 1142 . 1 1 99 99 TRP HE1 H 1 10.572 . . 1 . . . . 99 W HE1 . 15507 1 1143 . 1 1 99 99 TRP HE3 H 1 6.652 . . 1 . . . . 99 W HE3 . 15507 1 1144 . 1 1 99 99 TRP HH2 H 1 6.500 . . 1 . . . . 99 W HH2 . 15507 1 1145 . 1 1 99 99 TRP HZ2 H 1 7.273 . . 1 . . . . 99 W HZ2 . 15507 1 1146 . 1 1 99 99 TRP HZ3 H 1 5.691 . . 1 . . . . 99 W HZ3 . 15507 1 1147 . 1 1 99 99 TRP C C 13 174.450 . . 1 . . . . 99 W C . 15507 1 1148 . 1 1 99 99 TRP CA C 13 54.480 . . 1 . . . . 99 W CA . 15507 1 1149 . 1 1 99 99 TRP CB C 13 34.820 . . 1 . . . . 99 W CB . 15507 1 1150 . 1 1 99 99 TRP CD1 C 13 120.897 . . 1 . . . . 99 W CD1 . 15507 1 1151 . 1 1 99 99 TRP CE3 C 13 119.056 . . 1 . . . . 99 W CE3 . 15507 1 1152 . 1 1 99 99 TRP CH2 C 13 126.109 . . 1 . . . . 99 W CH2 . 15507 1 1153 . 1 1 99 99 TRP CZ2 C 13 112.372 . . 1 . . . . 99 W CZ2 . 15507 1 1154 . 1 1 99 99 TRP CZ3 C 13 121.439 . . 1 . . . . 99 W CZ3 . 15507 1 1155 . 1 1 99 99 TRP N N 15 129.314 . . 1 . . . . 99 W N . 15507 1 1156 . 1 1 99 99 TRP NE1 N 15 127.157 . . 1 . . . . 99 W NE1 . 15507 1 1157 . 1 1 100 100 GLU H H 1 9.356 . . 1 . . . . 100 E HN . 15507 1 1158 . 1 1 100 100 GLU HA H 1 5.489 . . 1 . . . . 100 E HA . 15507 1 1159 . 1 1 100 100 GLU HB2 H 1 1.781 . . 2 . . . . 100 E HB1 . 15507 1 1160 . 1 1 100 100 GLU HB3 H 1 2.038 . . 2 . . . . 100 E HB2 . 15507 1 1161 . 1 1 100 100 GLU HG2 H 1 1.650 . . 2 . . . . 100 E HG1 . 15507 1 1162 . 1 1 100 100 GLU HG3 H 1 1.918 . . 2 . . . . 100 E HG2 . 15507 1 1163 . 1 1 100 100 GLU C C 13 174.530 . . 1 . . . . 100 E C . 15507 1 1164 . 1 1 100 100 GLU CA C 13 55.530 . . 1 . . . . 100 E CA . 15507 1 1165 . 1 1 100 100 GLU CB C 13 33.280 . . 1 . . . . 100 E CB . 15507 1 1166 . 1 1 100 100 GLU CG C 13 38.510 . . 1 . . . . 100 E CG . 15507 1 1167 . 1 1 100 100 GLU N N 15 122.321 . . 1 . . . . 100 E N . 15507 1 1168 . 1 1 101 101 ILE H H 1 9.297 . . 1 . . . . 101 I HN . 15507 1 1169 . 1 1 101 101 ILE HA H 1 5.338 . . 1 . . . . 101 I HA . 15507 1 1170 . 1 1 101 101 ILE HB H 1 1.955 . . 1 . . . . 101 I HB . 15507 1 1171 . 1 1 101 101 ILE HD11 H 1 0.212 . . 1 . . . . 101 I HD11 . 15507 1 1172 . 1 1 101 101 ILE HD12 H 1 0.212 . . 1 . . . . 101 I HD11 . 15507 1 1173 . 1 1 101 101 ILE HD13 H 1 0.212 . . 1 . . . . 101 I HD11 . 15507 1 1174 . 1 1 101 101 ILE HG12 H 1 1.006 . . 1 . . . . 101 I HG11 . 15507 1 1175 . 1 1 101 101 ILE HG13 H 1 1.563 . . 1 . . . . 101 I HG12 . 15507 1 1176 . 1 1 101 101 ILE HG21 H 1 0.973 . . 1 . . . . 101 I HG21 . 15507 1 1177 . 1 1 101 101 ILE HG22 H 1 0.973 . . 1 . . . . 101 I HG21 . 15507 1 1178 . 1 1 101 101 ILE HG23 H 1 0.973 . . 1 . . . . 101 I HG21 . 15507 1 1179 . 1 1 101 101 ILE C C 13 172.911 . . 1 . . . . 101 I C . 15507 1 1180 . 1 1 101 101 ILE CA C 13 58.800 . . 1 . . . . 101 I CA . 15507 1 1181 . 1 1 101 101 ILE CB C 13 40.940 . . 1 . . . . 101 I CB . 15507 1 1182 . 1 1 101 101 ILE CD1 C 13 14.035 . . 1 . . . . 101 I CD1 . 15507 1 1183 . 1 1 101 101 ILE CG1 C 13 26.233 . . 1 . . . . 101 I CG1 . 15507 1 1184 . 1 1 101 101 ILE CG2 C 13 16.829 . . 1 . . . . 101 I CG2 . 15507 1 1185 . 1 1 101 101 ILE N N 15 117.362 . . 1 . . . . 101 I N . 15507 1 1186 . 1 1 102 102 TYR H H 1 8.994 . . 1 . . . . 102 Y HN . 15507 1 1187 . 1 1 102 102 TYR HA H 1 5.068 . . 1 . . . . 102 Y HA . 15507 1 1188 . 1 1 102 102 TYR HB2 H 1 2.750 . . 2 . . . . 102 Y HB1 . 15507 1 1189 . 1 1 102 102 TYR HB3 H 1 3.188 . . 2 . . . . 102 Y HB2 . 15507 1 1190 . 1 1 102 102 TYR HD1 H 1 7.043 . . 3 . . . . 102 Y HD1 . 15507 1 1191 . 1 1 102 102 TYR HE1 H 1 6.828 . . 3 . . . . 102 Y HE1 . 15507 1 1192 . 1 1 102 102 TYR C C 13 174.265 . . 1 . . . . 102 Y C . 15507 1 1193 . 1 1 102 102 TYR CA C 13 55.910 . . 1 . . . . 102 Y CA . 15507 1 1194 . 1 1 102 102 TYR CB C 13 38.160 . . 1 . . . . 102 Y CB . 15507 1 1195 . 1 1 102 102 TYR CD1 C 13 134.262 . . 3 . . . . 102 Y CD1 . 15507 1 1196 . 1 1 102 102 TYR CE1 C 13 120.808 . . 3 . . . . 102 Y CE1 . 15507 1 1197 . 1 1 102 102 TYR N N 15 123.500 . . 1 . . . . 102 Y N . 15507 1 1198 . 1 1 103 103 VAL H H 1 9.743 . . 1 . . . . 103 V HN . 15507 1 1199 . 1 1 103 103 VAL HA H 1 4.591 . . 1 . . . . 103 V HA . 15507 1 1200 . 1 1 103 103 VAL HB H 1 2.553 . . 1 . . . . 103 V HB . 15507 1 1201 . 1 1 103 103 VAL HG21 H 1 1.124 . . 2 . . . . 103 V HG21 . 15507 1 1202 . 1 1 103 103 VAL HG22 H 1 1.124 . . 2 . . . . 103 V HG21 . 15507 1 1203 . 1 1 103 103 VAL HG23 H 1 1.124 . . 2 . . . . 103 V HG21 . 15507 1 1204 . 1 1 103 103 VAL CA C 13 60.100 . . 1 . . . . 103 V CA . 15507 1 1205 . 1 1 103 103 VAL CB C 13 33.750 . . 1 . . . . 103 V CB . 15507 1 1206 . 1 1 103 103 VAL CG2 C 13 21.192 . . 1 . . . . 103 V CG2 . 15507 1 1207 . 1 1 103 103 VAL N N 15 123.515 . . 1 . . . . 103 V N . 15507 1 1208 . 1 1 104 104 PRO HA H 1 4.678 . . 1 . . . . 104 P HA . 15507 1 1209 . 1 1 104 104 PRO HB2 H 1 1.959 . . 2 . . . . 104 P HB1 . 15507 1 1210 . 1 1 104 104 PRO HB3 H 1 2.529 . . 2 . . . . 104 P HB2 . 15507 1 1211 . 1 1 104 104 PRO HD2 H 1 3.744 . . 2 . . . . 104 P HD1 . 15507 1 1212 . 1 1 104 104 PRO HD3 H 1 4.627 . . 2 . . . . 104 P HD2 . 15507 1 1213 . 1 1 104 104 PRO HG2 H 1 1.967 . . 2 . . . . 104 P HG1 . 15507 1 1214 . 1 1 104 104 PRO HG3 H 1 2.067 . . 2 . . . . 104 P HG2 . 15507 1 1215 . 1 1 104 104 PRO C C 13 178.438 . . 1 . . . . 104 P C . 15507 1 1216 . 1 1 104 104 PRO CA C 13 62.236 . . 1 . . . . 104 P CA . 15507 1 1217 . 1 1 104 104 PRO CB C 13 32.480 . . 1 . . . . 104 P CB . 15507 1 1218 . 1 1 104 104 PRO CD C 13 51.627 . . 1 . . . . 104 P CD . 15507 1 1219 . 1 1 104 104 PRO CG C 13 27.926 . . 1 . . . . 104 P CG . 15507 1 1220 . 1 1 105 105 SER H H 1 8.592 . . 1 . . . . 105 S HN . 15507 1 1221 . 1 1 105 105 SER HA H 1 4.145 . . 1 . . . . 105 S HA . 15507 1 1222 . 1 1 105 105 SER HB2 H 1 3.499 . . 2 . . . . 105 S HB1 . 15507 1 1223 . 1 1 105 105 SER HB3 H 1 3.684 . . 2 . . . . 105 S HB2 . 15507 1 1224 . 1 1 105 105 SER C C 13 178.780 . . 1 . . . . 105 S C . 15507 1 1225 . 1 1 105 105 SER CA C 13 62.286 . . 1 . . . . 105 S CA . 15507 1 1226 . 1 1 105 105 SER CB C 13 62.286 . . 1 . . . . 105 S CB . 15507 1 1227 . 1 1 105 105 SER N N 15 118.679 . . 1 . . . . 105 S N . 15507 1 1228 . 1 1 106 106 GLY H H 1 8.916 . . 1 . . . . 106 G HN . 15507 1 1229 . 1 1 106 106 GLY HA2 H 1 3.952 . . 2 . . . . 106 G HA2 . 15507 1 1230 . 1 1 106 106 GLY C C 13 175.301 . . 1 . . . . 106 G C . 15507 1 1231 . 1 1 106 106 GLY CA C 13 46.410 . . 1 . . . . 106 G CA . 15507 1 1232 . 1 1 106 106 GLY N N 15 110.700 . . 1 . . . . 106 G N . 15507 1 1233 . 1 1 107 107 LEU H H 1 7.946 . . 1 . . . . 107 L HN . 15507 1 1234 . 1 1 107 107 LEU HA H 1 4.583 . . 1 . . . . 107 L HA . 15507 1 1235 . 1 1 107 107 LEU HB2 H 1 1.565 . . 2 . . . . 107 L HB1 . 15507 1 1236 . 1 1 107 107 LEU HB3 H 1 1.741 . . 2 . . . . 107 L HB2 . 15507 1 1237 . 1 1 107 107 LEU HD11 H 1 0.980 . . 2 . . . . 107 L HD11 . 15507 1 1238 . 1 1 107 107 LEU HD12 H 1 0.980 . . 2 . . . . 107 L HD11 . 15507 1 1239 . 1 1 107 107 LEU HD13 H 1 0.980 . . 2 . . . . 107 L HD11 . 15507 1 1240 . 1 1 107 107 LEU HD21 H 1 0.910 . . 2 . . . . 107 L HD21 . 15507 1 1241 . 1 1 107 107 LEU HD22 H 1 0.910 . . 2 . . . . 107 L HD21 . 15507 1 1242 . 1 1 107 107 LEU HD23 H 1 0.910 . . 2 . . . . 107 L HD21 . 15507 1 1243 . 1 1 107 107 LEU HG H 1 1.678 . . 1 . . . . 107 L HG . 15507 1 1244 . 1 1 107 107 LEU C C 13 174.508 . . 1 . . . . 107 L C . 15507 1 1245 . 1 1 107 107 LEU CA C 13 53.750 . . 1 . . . . 107 L CA . 15507 1 1246 . 1 1 107 107 LEU CB C 13 42.360 . . 1 . . . . 107 L CB . 15507 1 1247 . 1 1 107 107 LEU CD1 C 13 25.836 . . 1 . . . . 107 L CD1 . 15507 1 1248 . 1 1 107 107 LEU CD2 C 13 18.902 . . 1 . . . . 107 L CD2 . 15507 1 1249 . 1 1 107 107 LEU CG C 13 27.353 . . 1 . . . . 107 L CG . 15507 1 1250 . 1 1 107 107 LEU N N 15 119.230 . . 1 . . . . 107 L N . 15507 1 1251 . 1 1 108 108 ALA H H 1 7.760 . . 1 . . . . 108 A HN . 15507 1 1252 . 1 1 108 108 ALA HA H 1 4.333 . . 1 . . . . 108 A HA . 15507 1 1253 . 1 1 108 108 ALA HB1 H 1 1.373 . . 1 . . . . 108 A HB1 . 15507 1 1254 . 1 1 108 108 ALA HB2 H 1 1.373 . . 1 . . . . 108 A HB1 . 15507 1 1255 . 1 1 108 108 ALA HB3 H 1 1.373 . . 1 . . . . 108 A HB1 . 15507 1 1256 . 1 1 108 108 ALA C C 13 175.026 . . 1 . . . . 108 A C . 15507 1 1257 . 1 1 108 108 ALA CA C 13 51.230 . . 1 . . . . 108 A CA . 15507 1 1258 . 1 1 108 108 ALA CB C 13 18.820 . . 1 . . . . 108 A CB . 15507 1 1259 . 1 1 108 108 ALA N N 15 125.920 . . 1 . . . . 108 A N . 15507 1 1260 . 1 1 109 109 TYR H H 1 9.084 . . 1 . . . . 109 Y HN . 15507 1 1261 . 1 1 109 109 TYR HA H 1 4.538 . . 1 . . . . 109 Y HA . 15507 1 1262 . 1 1 109 109 TYR HB2 H 1 2.841 . . 2 . . . . 109 Y HB1 . 15507 1 1263 . 1 1 109 109 TYR HB3 H 1 3.203 . . 2 . . . . 109 Y HB2 . 15507 1 1264 . 1 1 109 109 TYR HD1 H 1 7.118 . . 3 . . . . 109 Y HD1 . 15507 1 1265 . 1 1 109 109 TYR HE1 H 1 6.406 . . 3 . . . . 109 Y HE1 . 15507 1 1266 . 1 1 109 109 TYR C C 13 176.234 . . 1 . . . . 109 Y C . 15507 1 1267 . 1 1 109 109 TYR CA C 13 59.000 . . 1 . . . . 109 Y CA . 15507 1 1268 . 1 1 109 109 TYR CB C 13 38.170 . . 1 . . . . 109 Y CB . 15507 1 1269 . 1 1 109 109 TYR CD1 C 13 133.131 . . 3 . . . . 109 Y CD1 . 15507 1 1270 . 1 1 109 109 TYR CE1 C 13 116.615 . . 3 . . . . 109 Y CE1 . 15507 1 1271 . 1 1 109 109 TYR N N 15 121.730 . . 1 . . . . 109 Y N . 15507 1 1272 . 1 1 110 110 GLY H H 1 8.492 . . 1 . . . . 110 G HN . 15507 1 1273 . 1 1 110 110 GLY HA2 H 1 3.776 . . 2 . . . . 110 G HA1 . 15507 1 1274 . 1 1 110 110 GLY HA3 H 1 4.286 . . 2 . . . . 110 G HA2 . 15507 1 1275 . 1 1 110 110 GLY CA C 13 45.340 . . 1 . . . . 110 G CA . 15507 1 1276 . 1 1 110 110 GLY N N 15 109.974 . . 1 . . . . 110 G N . 15507 1 1277 . 1 1 111 111 PRO HA H 1 4.431 . . 1 . . . . 111 P HA . 15507 1 1278 . 1 1 111 111 PRO HB2 H 1 2.210 . . 2 . . . . 111 P HB1 . 15507 1 1279 . 1 1 111 111 PRO HB3 H 1 2.292 . . 2 . . . . 111 P HB2 . 15507 1 1280 . 1 1 111 111 PRO HD2 H 1 3.678 . . 2 . . . . 111 P HD1 . 15507 1 1281 . 1 1 111 111 PRO HD3 H 1 3.991 . . 2 . . . . 111 P HD2 . 15507 1 1282 . 1 1 111 111 PRO HG2 H 1 1.963 . . 2 . . . . 111 P HG1 . 15507 1 1283 . 1 1 111 111 PRO HG3 H 1 2.122 . . 2 . . . . 111 P HG2 . 15507 1 1284 . 1 1 111 111 PRO C C 13 175.483 . . 1 . . . . 111 P C . 15507 1 1285 . 1 1 111 111 PRO CA C 13 63.757 . . 1 . . . . 111 P CA . 15507 1 1286 . 1 1 111 111 PRO CB C 13 31.758 . . 1 . . . . 111 P CB . 15507 1 1287 . 1 1 111 111 PRO CD C 13 50.622 . . 1 . . . . 111 P CD . 15507 1 1288 . 1 1 111 111 PRO CG C 13 26.383 . . 1 . . . . 111 P CG . 15507 1 1289 . 1 1 112 112 ARG H H 1 7.574 . . 1 . . . . 112 R HN . 15507 1 1290 . 1 1 112 112 ARG HA H 1 4.365 . . 1 . . . . 112 R HA . 15507 1 1291 . 1 1 112 112 ARG HB2 H 1 1.872 . . 2 . . . . 112 R HB2 . 15507 1 1292 . 1 1 112 112 ARG HD2 H 1 3.277 . . 2 . . . . 112 R HD2 . 15507 1 1293 . 1 1 112 112 ARG HG2 H 1 1.650 . . 2 . . . . 112 R HG2 . 15507 1 1294 . 1 1 112 112 ARG C C 13 174.650 . . 1 . . . . 112 R C . 15507 1 1295 . 1 1 112 112 ARG CA C 13 55.980 . . 1 . . . . 112 R CA . 15507 1 1296 . 1 1 112 112 ARG CB C 13 31.690 . . 1 . . . . 112 R CB . 15507 1 1297 . 1 1 112 112 ARG CD C 13 43.786 . . 1 . . . . 112 R CD . 15507 1 1298 . 1 1 112 112 ARG CG C 13 27.389 . . 1 . . . . 112 R CG . 15507 1 1299 . 1 1 112 112 ARG N N 15 120.321 . . 1 . . . . 112 R N . 15507 1 1300 . 1 1 113 113 SER H H 1 8.119 . . 1 . . . . 113 S HN . 15507 1 1301 . 1 1 113 113 SER HA H 1 4.806 . . 1 . . . . 113 S HA . 15507 1 1302 . 1 1 113 113 SER HB2 H 1 3.936 . . 2 . . . . 113 S HB1 . 15507 1 1303 . 1 1 113 113 SER HB3 H 1 3.974 . . 2 . . . . 113 S HB2 . 15507 1 1304 . 1 1 113 113 SER C C 13 174.962 . . 1 . . . . 113 S C . 15507 1 1305 . 1 1 113 113 SER CA C 13 57.390 . . 1 . . . . 113 S CA . 15507 1 1306 . 1 1 113 113 SER CB C 13 63.640 . . 1 . . . . 113 S CB . 15507 1 1307 . 1 1 113 113 SER N N 15 114.995 . . 1 . . . . 113 S N . 15507 1 1308 . 1 1 114 114 VAL H H 1 7.272 . . 1 . . . . 114 V HN . 15507 1 1309 . 1 1 114 114 VAL HA H 1 3.999 . . 1 . . . . 114 V HA . 15507 1 1310 . 1 1 114 114 VAL HB H 1 1.748 . . 1 . . . . 114 V HB . 15507 1 1311 . 1 1 114 114 VAL HG11 H 1 0.521 . . 2 . . . . 114 V HG11 . 15507 1 1312 . 1 1 114 114 VAL HG12 H 1 0.521 . . 2 . . . . 114 V HG11 . 15507 1 1313 . 1 1 114 114 VAL HG13 H 1 0.521 . . 2 . . . . 114 V HG11 . 15507 1 1314 . 1 1 114 114 VAL HG21 H 1 0.435 . . 2 . . . . 114 V HG21 . 15507 1 1315 . 1 1 114 114 VAL HG22 H 1 0.435 . . 2 . . . . 114 V HG21 . 15507 1 1316 . 1 1 114 114 VAL HG23 H 1 0.435 . . 2 . . . . 114 V HG21 . 15507 1 1317 . 1 1 114 114 VAL C C 13 175.265 . . 1 . . . . 114 V C . 15507 1 1318 . 1 1 114 114 VAL CA C 13 62.555 . . 1 . . . . 114 V CA . 15507 1 1319 . 1 1 114 114 VAL CB C 13 32.668 . . 1 . . . . 114 V CB . 15507 1 1320 . 1 1 114 114 VAL CG1 C 13 21.363 . . 1 . . . . 114 V CG1 . 15507 1 1321 . 1 1 114 114 VAL CG2 C 13 20.661 . . 1 . . . . 114 V CG2 . 15507 1 1322 . 1 1 114 114 VAL N N 15 122.176 . . 1 . . . . 114 V N . 15507 1 1323 . 1 1 115 115 GLY H H 1 7.818 . . 1 . . . . 115 G HN . 15507 1 1324 . 1 1 115 115 GLY HA2 H 1 3.742 . . 2 . . . . 115 G HA1 . 15507 1 1325 . 1 1 115 115 GLY HA3 H 1 4.265 . . 2 . . . . 115 G HA2 . 15507 1 1326 . 1 1 115 115 GLY C C 13 173.860 . . 1 . . . . 115 G C . 15507 1 1327 . 1 1 115 115 GLY CA C 13 44.480 . . 1 . . . . 115 G CA . 15507 1 1328 . 1 1 115 115 GLY N N 15 109.211 . . 1 . . . . 115 G N . 15507 1 1329 . 1 1 116 116 GLY H H 1 8.528 . . 1 . . . . 116 G HN . 15507 1 1330 . 1 1 116 116 GLY HA2 H 1 4.003 . . 2 . . . . 116 G HA1 . 15507 1 1331 . 1 1 116 116 GLY HA3 H 1 4.688 . . 2 . . . . 116 G HA2 . 15507 1 1332 . 1 1 116 116 GLY CA C 13 44.890 . . 1 . . . . 116 G CA . 15507 1 1333 . 1 1 116 116 GLY N N 15 109.612 . . 1 . . . . 116 G N . 15507 1 1334 . 1 1 117 117 PRO HA H 1 4.529 . . 1 . . . . 117 P HA . 15507 1 1335 . 1 1 117 117 PRO HB2 H 1 1.940 . . 2 . . . . 117 P HB1 . 15507 1 1336 . 1 1 117 117 PRO HB3 H 1 2.314 . . 2 . . . . 117 P HB2 . 15507 1 1337 . 1 1 117 117 PRO HD2 H 1 3.771 . . 2 . . . . 117 P HD1 . 15507 1 1338 . 1 1 117 117 PRO HD3 H 1 3.839 . . 2 . . . . 117 P HD2 . 15507 1 1339 . 1 1 117 117 PRO HG2 H 1 1.738 . . 2 . . . . 117 P HG1 . 15507 1 1340 . 1 1 117 117 PRO HG3 H 1 2.233 . . 2 . . . . 117 P HG2 . 15507 1 1341 . 1 1 117 117 PRO C C 13 175.258 . . 1 . . . . 117 P C . 15507 1 1342 . 1 1 117 117 PRO CA C 13 63.753 . . 1 . . . . 117 P CA . 15507 1 1343 . 1 1 117 117 PRO CB C 13 32.391 . . 1 . . . . 117 P CB . 15507 1 1344 . 1 1 117 117 PRO CD C 13 50.075 . . 1 . . . . 117 P CD . 15507 1 1345 . 1 1 117 117 PRO CG C 13 26.489 . . 1 . . . . 117 P CG . 15507 1 1346 . 1 1 118 118 ILE H H 1 7.100 . . 1 . . . . 118 I HN . 15507 1 1347 . 1 1 118 118 ILE HA H 1 3.817 . . 1 . . . . 118 I HA . 15507 1 1348 . 1 1 118 118 ILE HB H 1 1.700 . . 1 . . . . 118 I HB . 15507 1 1349 . 1 1 118 118 ILE HD11 H 1 -0.153 . . 1 . . . . 118 I HD11 . 15507 1 1350 . 1 1 118 118 ILE HD12 H 1 -0.153 . . 1 . . . . 118 I HD11 . 15507 1 1351 . 1 1 118 118 ILE HD13 H 1 -0.153 . . 1 . . . . 118 I HD11 . 15507 1 1352 . 1 1 118 118 ILE HG12 H 1 0.361 . . 1 . . . . 118 I HG11 . 15507 1 1353 . 1 1 118 118 ILE HG13 H 1 0.937 . . 1 . . . . 118 I HG12 . 15507 1 1354 . 1 1 118 118 ILE HG21 H 1 0.833 . . 1 . . . . 118 I HG21 . 15507 1 1355 . 1 1 118 118 ILE HG22 H 1 0.833 . . 1 . . . . 118 I HG21 . 15507 1 1356 . 1 1 118 118 ILE HG23 H 1 0.833 . . 1 . . . . 118 I HG21 . 15507 1 1357 . 1 1 118 118 ILE C C 13 175.763 . . 1 . . . . 118 I C . 15507 1 1358 . 1 1 118 118 ILE CA C 13 61.160 . . 1 . . . . 118 I CA . 15507 1 1359 . 1 1 118 118 ILE CB C 13 37.530 . . 1 . . . . 118 I CB . 15507 1 1360 . 1 1 118 118 ILE CD1 C 13 12.920 . . 1 . . . . 118 I CD1 . 15507 1 1361 . 1 1 118 118 ILE CG1 C 13 27.379 . . 2 . . . . 118 I CG1 . 15507 1 1362 . 1 1 118 118 ILE CG2 C 13 17.681 . . 1 . . . . 118 I CG2 . 15507 1 1363 . 1 1 118 118 ILE N N 15 117.961 . . 1 . . . . 118 I N . 15507 1 1364 . 1 1 119 119 GLY H H 1 9.335 . . 1 . . . . 119 G HN . 15507 1 1365 . 1 1 119 119 GLY HA2 H 1 3.724 . . 2 . . . . 119 G HA1 . 15507 1 1366 . 1 1 119 119 GLY HA3 H 1 4.456 . . 2 . . . . 119 G HA2 . 15507 1 1367 . 1 1 119 119 GLY CA C 13 44.010 . . 1 . . . . 119 G CA . 15507 1 1368 . 1 1 119 119 GLY N N 15 119.218 . . 1 . . . . 119 G N . 15507 1 1369 . 1 1 120 120 PRO HA H 1 4.198 . . 1 . . . . 120 P HA . 15507 1 1370 . 1 1 120 120 PRO HB2 H 1 1.645 . . 2 . . . . 120 P HB1 . 15507 1 1371 . 1 1 120 120 PRO HB3 H 1 2.166 . . 2 . . . . 120 P HB2 . 15507 1 1372 . 1 1 120 120 PRO HD2 H 1 3.462 . . 2 . . . . 120 P HD1 . 15507 1 1373 . 1 1 120 120 PRO HD3 H 1 3.578 . . 2 . . . . 120 P HD2 . 15507 1 1374 . 1 1 120 120 PRO HG2 H 1 1.904 . . 2 . . . . 120 P HG1 . 15507 1 1375 . 1 1 120 120 PRO HG3 H 1 2.040 . . 2 . . . . 120 P HG2 . 15507 1 1376 . 1 1 120 120 PRO C C 13 176.817 . . 1 . . . . 120 P C . 15507 1 1377 . 1 1 120 120 PRO CA C 13 62.327 . . 1 . . . . 120 P CA . 15507 1 1378 . 1 1 120 120 PRO CB C 13 32.761 . . 1 . . . . 120 P CB . 15507 1 1379 . 1 1 120 120 PRO CD C 13 49.011 . . 1 . . . . 120 P CD . 15507 1 1380 . 1 1 120 120 PRO CG C 13 26.893 . . 1 . . . . 120 P CG . 15507 1 1381 . 1 1 121 121 ASN H H 1 8.604 . . 1 . . . . 121 N HN . 15507 1 1382 . 1 1 121 121 ASN HA H 1 4.064 . . 1 . . . . 121 N HA . 15507 1 1383 . 1 1 121 121 ASN HB2 H 1 2.847 . . 2 . . . . 121 N HB1 . 15507 1 1384 . 1 1 121 121 ASN HB3 H 1 3.134 . . 2 . . . . 121 N HB2 . 15507 1 1385 . 1 1 121 121 ASN HD21 H 1 7.755 . . 2 . . . . 121 N HD21 . 15507 1 1386 . 1 1 121 121 ASN HD22 H 1 6.948 . . 2 . . . . 121 N HD22 . 15507 1 1387 . 1 1 121 121 ASN C C 13 176.820 . . 1 . . . . 121 N C . 15507 1 1388 . 1 1 121 121 ASN CA C 13 53.930 . . 1 . . . . 121 N CA . 15507 1 1389 . 1 1 121 121 ASN CB C 13 36.840 . . 1 . . . . 121 N CB . 15507 1 1390 . 1 1 121 121 ASN N N 15 116.247 . . 1 . . . . 121 N N . 15507 1 1391 . 1 1 121 121 ASN ND2 N 15 112.438 . . 1 . . . . 121 N ND2 . 15507 1 1392 . 1 1 122 122 GLU H H 1 8.129 . . 1 . . . . 122 E HN . 15507 1 1393 . 1 1 122 122 GLU HA H 1 4.436 . . 1 . . . . 122 E HA . 15507 1 1394 . 1 1 122 122 GLU HB2 H 1 1.902 . . 2 . . . . 122 E HB1 . 15507 1 1395 . 1 1 122 122 GLU HB3 H 1 2.035 . . 2 . . . . 122 E HB2 . 15507 1 1396 . 1 1 122 122 GLU HG2 H 1 1.942 . . 2 . . . . 122 E HG1 . 15507 1 1397 . 1 1 122 122 GLU HG3 H 1 2.112 . . 2 . . . . 122 E HG2 . 15507 1 1398 . 1 1 122 122 GLU C C 13 176.750 . . 1 . . . . 122 E C . 15507 1 1399 . 1 1 122 122 GLU CA C 13 56.950 . . 1 . . . . 122 E CA . 15507 1 1400 . 1 1 122 122 GLU CB C 13 31.240 . . 1 . . . . 122 E CB . 15507 1 1401 . 1 1 122 122 GLU CG C 13 36.675 . . 1 . . . . 122 E CG . 15507 1 1402 . 1 1 122 122 GLU N N 15 120.004 . . 1 . . . . 122 E N . 15507 1 1403 . 1 1 123 123 THR H H 1 8.766 . . 1 . . . . 123 T HN . 15507 1 1404 . 1 1 123 123 THR HA H 1 4.571 . . 1 . . . . 123 T HA . 15507 1 1405 . 1 1 123 123 THR HB H 1 4.073 . . 1 . . . . 123 T HB . 15507 1 1406 . 1 1 123 123 THR HG21 H 1 1.121 . . 1 . . . . 123 T HG21 . 15507 1 1407 . 1 1 123 123 THR HG22 H 1 1.121 . . 1 . . . . 123 T HG21 . 15507 1 1408 . 1 1 123 123 THR HG23 H 1 1.121 . . 1 . . . . 123 T HG21 . 15507 1 1409 . 1 1 123 123 THR C C 13 173.453 . . 1 . . . . 123 T C . 15507 1 1410 . 1 1 123 123 THR CA C 13 64.210 . . 1 . . . . 123 T CA . 15507 1 1411 . 1 1 123 123 THR CB C 13 69.700 . . 1 . . . . 123 T CB . 15507 1 1412 . 1 1 123 123 THR CG2 C 13 23.420 . . 1 . . . . 123 T CG2 . 15507 1 1413 . 1 1 123 123 THR N N 15 126.859 . . 1 . . . . 123 T N . 15507 1 1414 . 1 1 124 124 LEU H H 1 8.305 . . 1 . . . . 124 L HN . 15507 1 1415 . 1 1 124 124 LEU HA H 1 5.060 . . 1 . . . . 124 L HA . 15507 1 1416 . 1 1 124 124 LEU HB2 H 1 1.339 . . 2 . . . . 124 L HB1 . 15507 1 1417 . 1 1 124 124 LEU HB3 H 1 1.778 . . 2 . . . . 124 L HB2 . 15507 1 1418 . 1 1 124 124 LEU HD21 H 1 0.657 . . 2 . . . . 124 L HD21 . 15507 1 1419 . 1 1 124 124 LEU HD22 H 1 0.657 . . 2 . . . . 124 L HD21 . 15507 1 1420 . 1 1 124 124 LEU HD23 H 1 0.657 . . 2 . . . . 124 L HD21 . 15507 1 1421 . 1 1 124 124 LEU HG H 1 1.198 . . 1 . . . . 124 L HG . 15507 1 1422 . 1 1 124 124 LEU C C 13 177.925 . . 1 . . . . 124 L C . 15507 1 1423 . 1 1 124 124 LEU CA C 13 53.210 . . 1 . . . . 124 L CA . 15507 1 1424 . 1 1 124 124 LEU CB C 13 47.090 . . 1 . . . . 124 L CB . 15507 1 1425 . 1 1 124 124 LEU CD1 C 13 26.832 . . 1 . . . . 124 L CD1 . 15507 1 1426 . 1 1 124 124 LEU CD2 C 13 23.258 . . 1 . . . . 124 L CD2 . 15507 1 1427 . 1 1 124 124 LEU CG C 13 26.892 . . 1 . . . . 124 L CG . 15507 1 1428 . 1 1 124 124 LEU N N 15 123.643 . . 1 . . . . 124 L N . 15507 1 1429 . 1 1 125 125 ILE H H 1 8.479 . . 1 . . . . 125 I HN . 15507 1 1430 . 1 1 125 125 ILE HA H 1 5.146 . . 1 . . . . 125 I HA . 15507 1 1431 . 1 1 125 125 ILE HB H 1 1.571 . . 1 . . . . 125 I HB . 15507 1 1432 . 1 1 125 125 ILE HD11 H 1 0.711 . . 1 . . . . 125 I HD11 . 15507 1 1433 . 1 1 125 125 ILE HD12 H 1 0.711 . . 1 . . . . 125 I HD11 . 15507 1 1434 . 1 1 125 125 ILE HD13 H 1 0.711 . . 1 . . . . 125 I HD11 . 15507 1 1435 . 1 1 125 125 ILE HG12 H 1 1.120 . . 1 . . . . 125 I HG11 . 15507 1 1436 . 1 1 125 125 ILE HG13 H 1 1.430 . . 1 . . . . 125 I HG12 . 15507 1 1437 . 1 1 125 125 ILE HG21 H 1 0.618 . . 2 . . . . 125 I HG21 . 15507 1 1438 . 1 1 125 125 ILE HG22 H 1 0.618 . . 2 . . . . 125 I HG21 . 15507 1 1439 . 1 1 125 125 ILE HG23 H 1 0.618 . . 2 . . . . 125 I HG21 . 15507 1 1440 . 1 1 125 125 ILE C C 13 175.822 . . 1 . . . . 125 I C . 15507 1 1441 . 1 1 125 125 ILE CA C 13 60.340 . . 1 . . . . 125 I CA . 15507 1 1442 . 1 1 125 125 ILE CB C 13 40.280 . . 1 . . . . 125 I CB . 15507 1 1443 . 1 1 125 125 ILE CD1 C 13 17.246 . . 1 . . . . 125 I CD1 . 15507 1 1444 . 1 1 125 125 ILE CG1 C 13 28.274 . . 1 . . . . 125 I CG1 . 15507 1 1445 . 1 1 125 125 ILE CG2 C 13 15.353 . . 1 . . . . 125 I CG2 . 15507 1 1446 . 1 1 125 125 ILE N N 15 121.111 . . 1 . . . . 125 I N . 15507 1 1447 . 1 1 126 126 PHE H H 1 9.016 . . 1 . . . . 126 F HN . 15507 1 1448 . 1 1 126 126 PHE HA H 1 6.069 . . 1 . . . . 126 F HA . 15507 1 1449 . 1 1 126 126 PHE HB2 H 1 2.713 . . 2 . . . . 126 F HB1 . 15507 1 1450 . 1 1 126 126 PHE HB3 H 1 2.865 . . 2 . . . . 126 F HB2 . 15507 1 1451 . 1 1 126 126 PHE HD1 H 1 7.670 . . 3 . . . . 126 F HD1 . 15507 1 1452 . 1 1 126 126 PHE HE1 H 1 8.027 . . 3 . . . . 126 F HE1 . 15507 1 1453 . 1 1 126 126 PHE HZ H 1 7.569 . . 1 . . . . 126 F HZ . 15507 1 1454 . 1 1 126 126 PHE C C 13 174.346 . . 1 . . . . 126 F C . 15507 1 1455 . 1 1 126 126 PHE CA C 13 55.230 . . 1 . . . . 126 F CA . 15507 1 1456 . 1 1 126 126 PHE CB C 13 42.960 . . 1 . . . . 126 F CB . 15507 1 1457 . 1 1 126 126 PHE CE1 C 13 132.880 . . 3 . . . . 126 F CE1 . 15507 1 1458 . 1 1 126 126 PHE CZ C 13 130.787 . . 1 . . . . 126 F CZ . 15507 1 1459 . 1 1 126 126 PHE N N 15 120.400 . . 1 . . . . 126 F N . 15507 1 1460 . 1 1 127 127 LYS H H 1 8.977 . . 1 . . . . 127 K HN . 15507 1 1461 . 1 1 127 127 LYS HA H 1 5.144 . . 1 . . . . 127 K HA . 15507 1 1462 . 1 1 127 127 LYS HB2 H 1 1.840 . . 2 . . . . 127 K HB1 . 15507 1 1463 . 1 1 127 127 LYS HB3 H 1 1.956 . . 2 . . . . 127 K HB2 . 15507 1 1464 . 1 1 127 127 LYS HD2 H 1 1.718 . . 2 . . . . 127 K HD2 . 15507 1 1465 . 1 1 127 127 LYS HG2 H 1 1.310 . . 2 . . . . 127 K HG2 . 15507 1 1466 . 1 1 127 127 LYS C C 13 175.836 . . 1 . . . . 127 K C . 15507 1 1467 . 1 1 127 127 LYS CA C 13 56.160 . . 1 . . . . 127 K CA . 15507 1 1468 . 1 1 127 127 LYS CB C 13 34.050 . . 1 . . . . 127 K CB . 15507 1 1469 . 1 1 127 127 LYS CD C 13 29.451 . . 1 . . . . 127 K CD . 15507 1 1470 . 1 1 127 127 LYS CE C 13 41.783 . . 1 . . . . 127 K CE . 15507 1 1471 . 1 1 127 127 LYS CG C 13 25.561 . . 1 . . . . 127 K CG . 15507 1 1472 . 1 1 127 127 LYS N N 15 125.053 . . 1 . . . . 127 K N . 15507 1 1473 . 1 1 128 128 ILE H H 1 9.389 . . 1 . . . . 128 I HN . 15507 1 1474 . 1 1 128 128 ILE HA H 1 4.749 . . 1 . . . . 128 I HA . 15507 1 1475 . 1 1 128 128 ILE HB H 1 1.340 . . 1 . . . . 128 I HB . 15507 1 1476 . 1 1 128 128 ILE HD11 H 1 0.474 . . 1 . . . . 128 I HD11 . 15507 1 1477 . 1 1 128 128 ILE HD12 H 1 0.474 . . 1 . . . . 128 I HD11 . 15507 1 1478 . 1 1 128 128 ILE HD13 H 1 0.474 . . 1 . . . . 128 I HD11 . 15507 1 1479 . 1 1 128 128 ILE HG12 H 1 0.282 . . 1 . . . . 128 I HG11 . 15507 1 1480 . 1 1 128 128 ILE HG13 H 1 1.207 . . 1 . . . . 128 I HG12 . 15507 1 1481 . 1 1 128 128 ILE C C 13 173.873 . . 1 . . . . 128 I C . 15507 1 1482 . 1 1 128 128 ILE CA C 13 60.940 . . 1 . . . . 128 I CA . 15507 1 1483 . 1 1 128 128 ILE CB C 13 42.340 . . 1 . . . . 128 I CB . 15507 1 1484 . 1 1 128 128 ILE CD1 C 13 16.292 . . 1 . . . . 128 I CD1 . 15507 1 1485 . 1 1 128 128 ILE CG1 C 13 27.101 . . 1 . . . . 128 I CG1 . 15507 1 1486 . 1 1 128 128 ILE N N 15 125.671 . . 1 . . . . 128 I N . 15507 1 1487 . 1 1 129 129 HIS H H 1 9.329 . . 1 . . . . 129 H HN . 15507 1 1488 . 1 1 129 129 HIS HA H 1 5.824 . . 1 . . . . 129 H HA . 15507 1 1489 . 1 1 129 129 HIS HB2 H 1 3.089 . . 2 . . . . 129 H HB1 . 15507 1 1490 . 1 1 129 129 HIS HB3 H 1 3.317 . . 2 . . . . 129 H HB2 . 15507 1 1491 . 1 1 129 129 HIS HD2 H 1 6.733 . . 1 . . . . 129 H HD2 . 15507 1 1492 . 1 1 129 129 HIS HE1 H 1 8.432 . . 1 . . . . 129 H HE1 . 15507 1 1493 . 1 1 129 129 HIS HE2 H 1 8.651 . . 1 . . . . 129 H HE2 . 15507 1 1494 . 1 1 129 129 HIS C C 13 173.935 . . 1 . . . . 129 H C . 15507 1 1495 . 1 1 129 129 HIS CA C 13 52.030 . . 1 . . . . 129 H CA . 15507 1 1496 . 1 1 129 129 HIS CB C 13 31.300 . . 1 . . . . 129 H CB . 15507 1 1497 . 1 1 129 129 HIS CD2 C 13 119.384 . . 1 . . . . 129 H CD2 . 15507 1 1498 . 1 1 129 129 HIS CE1 C 13 136.905 . . 1 . . . . 129 H CE1 . 15507 1 1499 . 1 1 129 129 HIS N N 15 126.062 . . 1 . . . . 129 H N . 15507 1 1500 . 1 1 130 130 LEU H H 1 8.597 . . 1 . . . . 130 L HN . 15507 1 1501 . 1 1 130 130 LEU HA H 1 4.449 . . 1 . . . . 130 L HA . 15507 1 1502 . 1 1 130 130 LEU HB2 H 1 1.039 . . 2 . . . . 130 L HB1 . 15507 1 1503 . 1 1 130 130 LEU HB3 H 1 1.853 . . 2 . . . . 130 L HB2 . 15507 1 1504 . 1 1 130 130 LEU HD11 H 1 0.643 . . 2 . . . . 130 L HD11 . 15507 1 1505 . 1 1 130 130 LEU HD12 H 1 0.643 . . 2 . . . . 130 L HD11 . 15507 1 1506 . 1 1 130 130 LEU HD13 H 1 0.643 . . 2 . . . . 130 L HD11 . 15507 1 1507 . 1 1 130 130 LEU HD21 H 1 0.830 . . 2 . . . . 130 L HD21 . 15507 1 1508 . 1 1 130 130 LEU HD22 H 1 0.830 . . 2 . . . . 130 L HD21 . 15507 1 1509 . 1 1 130 130 LEU HD23 H 1 0.830 . . 2 . . . . 130 L HD21 . 15507 1 1510 . 1 1 130 130 LEU HG H 1 1.163 . . 1 . . . . 130 L HG . 15507 1 1511 . 1 1 130 130 LEU C C 13 173.822 . . 1 . . . . 130 L C . 15507 1 1512 . 1 1 130 130 LEU CA C 13 54.390 . . 1 . . . . 130 L CA . 15507 1 1513 . 1 1 130 130 LEU CB C 13 42.200 . . 1 . . . . 130 L CB . 15507 1 1514 . 1 1 130 130 LEU CD1 C 13 26.686 . . 1 . . . . 130 L CD1 . 15507 1 1515 . 1 1 130 130 LEU CD2 C 13 24.637 . . 1 . . . . 130 L CD2 . 15507 1 1516 . 1 1 130 130 LEU CG C 13 28.284 . . 1 . . . . 130 L CG . 15507 1 1517 . 1 1 130 130 LEU N N 15 129.566 . . 1 . . . . 130 L N . 15507 1 1518 . 1 1 131 131 ILE H H 1 8.639 . . 1 . . . . 131 I HN . 15507 1 1519 . 1 1 131 131 ILE HA H 1 3.535 . . 1 . . . . 131 I HA . 15507 1 1520 . 1 1 131 131 ILE HB H 1 1.411 . . 1 . . . . 131 I HB . 15507 1 1521 . 1 1 131 131 ILE HD11 H 1 0.643 . . 1 . . . . 131 I HD11 . 15507 1 1522 . 1 1 131 131 ILE HD12 H 1 0.643 . . 1 . . . . 131 I HD11 . 15507 1 1523 . 1 1 131 131 ILE HD13 H 1 0.643 . . 1 . . . . 131 I HD11 . 15507 1 1524 . 1 1 131 131 ILE HG12 H 1 0.457 . . 1 . . . . 131 I HG11 . 15507 1 1525 . 1 1 131 131 ILE HG13 H 1 1.057 . . 1 . . . . 131 I HG12 . 15507 1 1526 . 1 1 131 131 ILE HG21 H 1 0.784 . . 1 . . . . 131 I HG21 . 15507 1 1527 . 1 1 131 131 ILE HG22 H 1 0.784 . . 1 . . . . 131 I HG21 . 15507 1 1528 . 1 1 131 131 ILE HG23 H 1 0.784 . . 1 . . . . 131 I HG21 . 15507 1 1529 . 1 1 131 131 ILE C C 13 176.506 . . 1 . . . . 131 I C . 15507 1 1530 . 1 1 131 131 ILE CA C 13 63.940 . . 1 . . . . 131 I CA . 15507 1 1531 . 1 1 131 131 ILE CB C 13 38.720 . . 1 . . . . 131 I CB . 15507 1 1532 . 1 1 131 131 ILE CD1 C 13 13.518 . . 1 . . . . 131 I CD1 . 15507 1 1533 . 1 1 131 131 ILE CG1 C 13 27.516 . . 1 . . . . 131 I CG1 . 15507 1 1534 . 1 1 131 131 ILE CG2 C 13 16.646 . . 1 . . . . 131 I CG2 . 15507 1 1535 . 1 1 131 131 ILE N N 15 129.636 . . 1 . . . . 131 I N . 15507 1 1536 . 1 1 132 132 SER H H 1 7.480 . . 1 . . . . 132 S HN . 15507 1 1537 . 1 1 132 132 SER HA H 1 4.628 . . 1 . . . . 132 S HA . 15507 1 1538 . 1 1 132 132 SER HB2 H 1 3.749 . . 2 . . . . 132 S HB1 . 15507 1 1539 . 1 1 132 132 SER HB3 H 1 3.793 . . 2 . . . . 132 S HB2 . 15507 1 1540 . 1 1 132 132 SER C C 13 171.100 . . 1 . . . . 132 S C . 15507 1 1541 . 1 1 132 132 SER CA C 13 57.020 . . 1 . . . . 132 S CA . 15507 1 1542 . 1 1 132 132 SER CB C 13 65.330 . . 1 . . . . 132 S CB . 15507 1 1543 . 1 1 132 132 SER N N 15 108.640 . . 1 . . . . 132 S N . 15507 1 1544 . 1 1 133 133 VAL H H 1 8.356 . . 1 . . . . 133 V HN . 15507 1 1545 . 1 1 133 133 VAL HA H 1 4.522 . . 1 . . . . 133 V HA . 15507 1 1546 . 1 1 133 133 VAL HB H 1 1.700 . . 1 . . . . 133 V HB . 15507 1 1547 . 1 1 133 133 VAL HG11 H 1 0.762 . . 2 . . . . 133 V HG11 . 15507 1 1548 . 1 1 133 133 VAL HG12 H 1 0.762 . . 2 . . . . 133 V HG11 . 15507 1 1549 . 1 1 133 133 VAL HG13 H 1 0.762 . . 2 . . . . 133 V HG11 . 15507 1 1550 . 1 1 133 133 VAL HG21 H 1 0.852 . . 2 . . . . 133 V HG21 . 15507 1 1551 . 1 1 133 133 VAL HG22 H 1 0.852 . . 2 . . . . 133 V HG21 . 15507 1 1552 . 1 1 133 133 VAL HG23 H 1 0.852 . . 2 . . . . 133 V HG21 . 15507 1 1553 . 1 1 133 133 VAL C C 13 174.294 . . 1 . . . . 133 V C . 15507 1 1554 . 1 1 133 133 VAL CA C 13 60.950 . . 1 . . . . 133 V CA . 15507 1 1555 . 1 1 133 133 VAL CB C 13 35.180 . . 1 . . . . 133 V CB . 15507 1 1556 . 1 1 133 133 VAL CG1 C 13 21.178 . . 1 . . . . 133 V CG1 . 15507 1 1557 . 1 1 133 133 VAL CG2 C 13 22.239 . . 1 . . . . 133 V CG2 . 15507 1 1558 . 1 1 133 133 VAL N N 15 120.422 . . 1 . . . . 133 V N . 15507 1 1559 . 1 1 134 134 LYS H H 1 9.142 . . 1 . . . . 134 K HN . 15507 1 1560 . 1 1 134 134 LYS HA H 1 4.614 . . 1 . . . . 134 K HA . 15507 1 1561 . 1 1 134 134 LYS HB2 H 1 1.590 . . 2 . . . . 134 K HB1 . 15507 1 1562 . 1 1 134 134 LYS HB3 H 1 1.730 . . 2 . . . . 134 K HB2 . 15507 1 1563 . 1 1 134 134 LYS HD2 H 1 1.605 . . 2 . . . . 134 K HD2 . 15507 1 1564 . 1 1 134 134 LYS HE2 H 1 2.907 . . 2 . . . . 134 K HE2 . 15507 1 1565 . 1 1 134 134 LYS HG2 H 1 1.303 . . 2 . . . . 134 K HG2 . 15507 1 1566 . 1 1 134 134 LYS C C 13 175.130 . . 1 . . . . 134 K C . 15507 1 1567 . 1 1 134 134 LYS CA C 13 54.800 . . 1 . . . . 134 K CA . 15507 1 1568 . 1 1 134 134 LYS CB C 13 34.550 . . 1 . . . . 134 K CB . 15507 1 1569 . 1 1 134 134 LYS CD C 13 29.230 . . 1 . . . . 134 K CD . 15507 1 1570 . 1 1 134 134 LYS CE C 13 42.100 . . 1 . . . . 134 K CE . 15507 1 1571 . 1 1 134 134 LYS CG C 13 24.373 . . 1 . . . . 134 K CG . 15507 1 1572 . 1 1 134 134 LYS N N 15 129.051 . . 1 . . . . 134 K N . 15507 1 1573 . 1 1 135 135 LYS H H 1 8.623 . . 1 . . . . 135 K HN . 15507 1 1574 . 1 1 135 135 LYS HA H 1 4.385 . . 1 . . . . 135 K HA . 15507 1 1575 . 1 1 135 135 LYS HB2 H 1 1.757 . . 2 . . . . 135 K HB1 . 15507 1 1576 . 1 1 135 135 LYS HB3 H 1 1.875 . . 2 . . . . 135 K HB2 . 15507 1 1577 . 1 1 135 135 LYS HD2 H 1 1.689 . . 2 . . . . 135 K HD2 . 15507 1 1578 . 1 1 135 135 LYS HE2 H 1 2.942 . . 2 . . . . 135 K HE1 . 15507 1 1579 . 1 1 135 135 LYS HE3 H 1 3.053 . . 2 . . . . 135 K HE2 . 15507 1 1580 . 1 1 135 135 LYS HG2 H 1 1.492 . . 2 . . . . 135 K HG1 . 15507 1 1581 . 1 1 135 135 LYS HG3 H 1 1.492 . . 2 . . . . 135 K HG2 . 15507 1 1582 . 1 1 135 135 LYS C C 13 177.413 . . 1 . . . . 135 K C . 15507 1 1583 . 1 1 135 135 LYS CA C 13 55.970 . . 1 . . . . 135 K CA . 15507 1 1584 . 1 1 135 135 LYS CB C 13 32.730 . . 1 . . . . 135 K CB . 15507 1 1585 . 1 1 135 135 LYS CD C 13 28.497 . . 1 . . . . 135 K CD . 15507 1 1586 . 1 1 135 135 LYS CE C 13 41.854 . . 1 . . . . 135 K CE . 15507 1 1587 . 1 1 135 135 LYS CG C 13 24.553 . . 1 . . . . 135 K CG . 15507 1 1588 . 1 1 135 135 LYS N N 15 126.473 . . 1 . . . . 135 K N . 15507 1 1589 . 1 1 136 136 SER H H 1 8.751 . . 1 . . . . 136 S HN . 15507 1 1590 . 1 1 136 136 SER HA H 1 4.464 . . 1 . . . . 136 S HA . 15507 1 1591 . 1 1 136 136 SER HB2 H 1 3.938 . . 2 . . . . 136 S HB1 . 15507 1 1592 . 1 1 136 136 SER HB3 H 1 3.938 . . 2 . . . . 136 S HB2 . 15507 1 1593 . 1 1 136 136 SER C C 13 173.733 . . 1 . . . . 136 S C . 15507 1 1594 . 1 1 136 136 SER CA C 13 58.600 . . 1 . . . . 136 S CA . 15507 1 1595 . 1 1 136 136 SER CB C 13 63.970 . . 1 . . . . 136 S CB . 15507 1 1596 . 1 1 136 136 SER N N 15 119.164 . . 1 . . . . 136 S N . 15507 1 1597 . 1 1 137 137 SER H H 1 7.954 . . 1 . . . . 137 S HN . 15507 1 1598 . 1 1 137 137 SER HA H 1 4.474 . . 1 . . . . 137 S HA . 15507 1 1599 . 1 1 137 137 SER HB2 H 1 3.940 . . 2 . . . . 137 S HB2 . 15507 1 1600 . 1 1 137 137 SER CA C 13 60.015 . . 1 . . . . 137 S CA . 15507 1 1601 . 1 1 137 137 SER CB C 13 64.747 . . 1 . . . . 137 S CB . 15507 1 1602 . 1 1 137 137 SER N N 15 123.079 . . 1 . . . . 137 S N . 15507 1 stop_ save_