data_18112 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18112 _Entry.Title ; Minimal Constraints Solution NMR Structure of Prospero Homeobox protein 1 from Homo sapiens. Northeast Structural Genomics Consortium Target HR4660B. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-11-29 _Entry.Accession_date 2011-11-29 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Paolo Rossi . . . 18112 2 Oliver Lange . A. . 18112 3 Hsiau-Wei Lee . . . 18112 4 Melissa Maglaqui . . . 18112 5 Haleema Janjua . . . 18112 6 Colleen Ciccosanti . . . 18112 7 Li Zhao . . . 18112 8 Thomas Acton . B. . 18112 9 Rong Xiao . . . 18112 10 John Everett . K. . 18112 11 Gaetano Montelione . T. . 18112 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'PSI, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' . 18112 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG)' . 18112 'Protein NMR' . 18112 'Protein Structure Initiative' . 18112 PSI-2 . 18112 'Structural Genomics' . 18112 'Target HR4660B' . 18112 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18112 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 530 18112 '15N chemical shifts' 146 18112 '1H chemical shifts' 690 18112 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2012-01-18 2011-11-29 update author 'update thiol state' 18112 1 . . 2011-12-20 2011-11-29 original author 'original release' 18112 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LMD 'BMRB Entry Tracking System' 18112 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 18112 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Minimal Constraints Solution NMR Structure of Prospero Homeobox protein 1 from Homo sapiens. Northeast Structural Genomics Consortium Target HR4660B.' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'To be published' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 Paolo Rossi . . . 18112 1 2 Oliver Lange . A. . 18112 1 3 Hsiau-Wei Lee . . . 18112 1 4 Melissa Maglaqui . . . 18112 1 5 Haleema Janjua . . . 18112 1 6 Colleen Ciccosanti . . . 18112 1 7 Li Zhao . . . 18112 1 8 Thomas Acton . B. . 18112 1 9 Rong Xiao . . . 18112 1 10 John Everett . K. . 18112 1 11 Gaetano Montelione . T. . 18112 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18112 _Assembly.ID 1 _Assembly.Name HR4660B _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 HR4660B 1 $HR4660B A . yes native no no . . . 18112 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HR4660B _Entity.Sf_category entity _Entity.Sf_framecode HR4660B _Entity.Entry_ID 18112 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HR4660B _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGHHHHHHSHMAMQEGLSPN HLKKAKLMFFYTRYPSSNML KTYFSDVKFNRCITSQLIKW FSNFREFYYIQMEKYARQAI NDGVTSTEELSITRDCELYR ALNMHYNKANDFEVPERFLE VAQITLREFFNAIIAGKDVD PSWKKAIYKVICKLDSEVPE IFKSPNCLQELLHE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 174 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 20723.934 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2LMD . "Minimal Constraints Solution Nmr Structure Of Prospero Homeobox Protein 1 From Homo Sapiens, Northeast Structural Genomics Cons" . . . . . 100.00 174 100.00 100.00 1.65e-127 . . . . 18112 1 2 no DBJ BAC35190 . "unnamed protein product [Mus musculus]" . . . . . 95.98 737 98.20 98.80 8.07e-114 . . . . 18112 1 3 no DBJ BAE25293 . "unnamed protein product [Mus musculus]" . . . . . 95.98 737 98.20 98.80 8.07e-114 . . . . 18112 1 4 no DBJ BAF82865 . "unnamed protein product [Homo sapiens]" . . . . . 95.98 737 98.20 98.80 9.27e-114 . . . . 18112 1 5 no DBJ BAG10650 . "homeobox prospero-like protein PROX1 [synthetic construct]" . . . . . 95.98 737 98.20 98.80 9.27e-114 . . . . 18112 1 6 no DBJ BAG60453 . "unnamed protein product [Homo sapiens]" . . . . . 95.98 309 98.20 98.80 1.23e-117 . . . . 18112 1 7 no GB AAB30541 . "Prox 1=homeobox gene prospero homolog [mice, embryos, C3H, Peptide, 165 aa]" . . . . . 93.68 165 99.39 99.39 5.11e-117 . . . . 18112 1 8 no GB AAC32824 . "prospero-related homeobox 1 [Mus musculus]" . . . . . 95.98 737 98.20 98.80 8.07e-114 . . . . 18112 1 9 no GB AAC50656 . "homeodomain protein [Homo sapiens]" . . . . . 95.98 736 97.60 98.20 7.61e-113 . . . . 18112 1 10 no GB AAC59938 . "Prox 1 [Gallus gallus]" . . . . . 95.98 736 98.20 98.80 1.89e-113 . . . . 18112 1 11 no GB AAH24201 . "Prospero homeobox 1 [Homo sapiens]" . . . . . 95.98 737 98.20 98.80 9.27e-114 . . . . 18112 1 12 no REF NP_001005616 . "prospero homeobox protein 1 [Gallus gallus]" . . . . . 95.98 736 98.20 98.80 1.89e-113 . . . . 18112 1 13 no REF NP_001121962 . "prospero homeobox protein 1 [Sus scrofa]" . . . . . 95.98 737 98.20 98.80 7.90e-114 . . . . 18112 1 14 no REF NP_001180161 . "prospero homeobox protein 1 [Bos taurus]" . . . . . 95.98 737 98.20 98.80 9.68e-114 . . . . 18112 1 15 no REF NP_001247802 . "prospero homeobox protein 1 [Macaca mulatta]" . . . . . 95.98 737 98.20 98.80 9.27e-114 . . . . 18112 1 16 no REF NP_001257545 . "prospero homeobox protein 1 [Homo sapiens]" . . . . . 95.98 737 98.20 98.80 9.27e-114 . . . . 18112 1 17 no SP P48437 . "RecName: Full=Prospero homeobox protein 1; AltName: Full=Homeobox prospero-like protein PROX1; Short=PROX-1" . . . . . 95.98 737 98.20 98.80 8.07e-114 . . . . 18112 1 18 no SP Q91018 . "RecName: Full=Prospero homeobox protein 1; AltName: Full=Homeobox prospero-like protein PROX1; Short=PROX-1" . . . . . 95.98 736 98.20 98.80 1.89e-113 . . . . 18112 1 19 no SP Q92786 . "RecName: Full=Prospero homeobox protein 1; AltName: Full=Homeobox prospero-like protein PROX1; Short=PROX-1" . . . . . 95.98 737 98.20 98.80 9.27e-114 . . . . 18112 1 20 no TPG DAA21012 . "TPA: prospero homeobox 1 [Bos taurus]" . . . . . 95.98 737 98.20 98.80 9.68e-114 . . . . 18112 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 18112 1 2 . GLY . 18112 1 3 . HIS . 18112 1 4 . HIS . 18112 1 5 . HIS . 18112 1 6 . HIS . 18112 1 7 . HIS . 18112 1 8 . HIS . 18112 1 9 . SER . 18112 1 10 . HIS . 18112 1 11 . MET . 18112 1 12 . ALA . 18112 1 13 . MET . 18112 1 14 . GLN . 18112 1 15 . GLU . 18112 1 16 . GLY . 18112 1 17 . LEU . 18112 1 18 . SER . 18112 1 19 . PRO . 18112 1 20 . ASN . 18112 1 21 . HIS . 18112 1 22 . LEU . 18112 1 23 . LYS . 18112 1 24 . LYS . 18112 1 25 . ALA . 18112 1 26 . LYS . 18112 1 27 . LEU . 18112 1 28 . MET . 18112 1 29 . PHE . 18112 1 30 . PHE . 18112 1 31 . TYR . 18112 1 32 . THR . 18112 1 33 . ARG . 18112 1 34 . TYR . 18112 1 35 . PRO . 18112 1 36 . SER . 18112 1 37 . SER . 18112 1 38 . ASN . 18112 1 39 . MET . 18112 1 40 . LEU . 18112 1 41 . LYS . 18112 1 42 . THR . 18112 1 43 . TYR . 18112 1 44 . PHE . 18112 1 45 . SER . 18112 1 46 . ASP . 18112 1 47 . VAL . 18112 1 48 . LYS . 18112 1 49 . PHE . 18112 1 50 . ASN . 18112 1 51 . ARG . 18112 1 52 . CYS . 18112 1 53 . ILE . 18112 1 54 . THR . 18112 1 55 . SER . 18112 1 56 . GLN . 18112 1 57 . LEU . 18112 1 58 . ILE . 18112 1 59 . LYS . 18112 1 60 . TRP . 18112 1 61 . PHE . 18112 1 62 . SER . 18112 1 63 . ASN . 18112 1 64 . PHE . 18112 1 65 . ARG . 18112 1 66 . GLU . 18112 1 67 . PHE . 18112 1 68 . TYR . 18112 1 69 . TYR . 18112 1 70 . ILE . 18112 1 71 . GLN . 18112 1 72 . MET . 18112 1 73 . GLU . 18112 1 74 . LYS . 18112 1 75 . TYR . 18112 1 76 . ALA . 18112 1 77 . ARG . 18112 1 78 . GLN . 18112 1 79 . ALA . 18112 1 80 . ILE . 18112 1 81 . ASN . 18112 1 82 . ASP . 18112 1 83 . GLY . 18112 1 84 . VAL . 18112 1 85 . THR . 18112 1 86 . SER . 18112 1 87 . THR . 18112 1 88 . GLU . 18112 1 89 . GLU . 18112 1 90 . LEU . 18112 1 91 . SER . 18112 1 92 . ILE . 18112 1 93 . THR . 18112 1 94 . ARG . 18112 1 95 . ASP . 18112 1 96 . CYS . 18112 1 97 . GLU . 18112 1 98 . LEU . 18112 1 99 . TYR . 18112 1 100 . ARG . 18112 1 101 . ALA . 18112 1 102 . LEU . 18112 1 103 . ASN . 18112 1 104 . MET . 18112 1 105 . HIS . 18112 1 106 . TYR . 18112 1 107 . ASN . 18112 1 108 . LYS . 18112 1 109 . ALA . 18112 1 110 . ASN . 18112 1 111 . ASP . 18112 1 112 . PHE . 18112 1 113 . GLU . 18112 1 114 . VAL . 18112 1 115 . PRO . 18112 1 116 . GLU . 18112 1 117 . ARG . 18112 1 118 . PHE . 18112 1 119 . LEU . 18112 1 120 . GLU . 18112 1 121 . VAL . 18112 1 122 . ALA . 18112 1 123 . GLN . 18112 1 124 . ILE . 18112 1 125 . THR . 18112 1 126 . LEU . 18112 1 127 . ARG . 18112 1 128 . GLU . 18112 1 129 . PHE . 18112 1 130 . PHE . 18112 1 131 . ASN . 18112 1 132 . ALA . 18112 1 133 . ILE . 18112 1 134 . ILE . 18112 1 135 . ALA . 18112 1 136 . GLY . 18112 1 137 . LYS . 18112 1 138 . ASP . 18112 1 139 . VAL . 18112 1 140 . ASP . 18112 1 141 . PRO . 18112 1 142 . SER . 18112 1 143 . TRP . 18112 1 144 . LYS . 18112 1 145 . LYS . 18112 1 146 . ALA . 18112 1 147 . ILE . 18112 1 148 . TYR . 18112 1 149 . LYS . 18112 1 150 . VAL . 18112 1 151 . ILE . 18112 1 152 . CYS . 18112 1 153 . LYS . 18112 1 154 . LEU . 18112 1 155 . ASP . 18112 1 156 . SER . 18112 1 157 . GLU . 18112 1 158 . VAL . 18112 1 159 . PRO . 18112 1 160 . GLU . 18112 1 161 . ILE . 18112 1 162 . PHE . 18112 1 163 . LYS . 18112 1 164 . SER . 18112 1 165 . PRO . 18112 1 166 . ASN . 18112 1 167 . CYS . 18112 1 168 . LEU . 18112 1 169 . GLN . 18112 1 170 . GLU . 18112 1 171 . LEU . 18112 1 172 . LEU . 18112 1 173 . HIS . 18112 1 174 . GLU . 18112 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 18112 1 . GLY 2 2 18112 1 . HIS 3 3 18112 1 . HIS 4 4 18112 1 . HIS 5 5 18112 1 . HIS 6 6 18112 1 . HIS 7 7 18112 1 . HIS 8 8 18112 1 . SER 9 9 18112 1 . HIS 10 10 18112 1 . MET 11 11 18112 1 . ALA 12 12 18112 1 . MET 13 13 18112 1 . GLN 14 14 18112 1 . GLU 15 15 18112 1 . GLY 16 16 18112 1 . LEU 17 17 18112 1 . SER 18 18 18112 1 . PRO 19 19 18112 1 . ASN 20 20 18112 1 . HIS 21 21 18112 1 . LEU 22 22 18112 1 . LYS 23 23 18112 1 . LYS 24 24 18112 1 . ALA 25 25 18112 1 . LYS 26 26 18112 1 . LEU 27 27 18112 1 . MET 28 28 18112 1 . PHE 29 29 18112 1 . PHE 30 30 18112 1 . TYR 31 31 18112 1 . THR 32 32 18112 1 . ARG 33 33 18112 1 . TYR 34 34 18112 1 . PRO 35 35 18112 1 . SER 36 36 18112 1 . SER 37 37 18112 1 . ASN 38 38 18112 1 . MET 39 39 18112 1 . LEU 40 40 18112 1 . LYS 41 41 18112 1 . THR 42 42 18112 1 . TYR 43 43 18112 1 . PHE 44 44 18112 1 . SER 45 45 18112 1 . ASP 46 46 18112 1 . VAL 47 47 18112 1 . LYS 48 48 18112 1 . PHE 49 49 18112 1 . ASN 50 50 18112 1 . ARG 51 51 18112 1 . CYS 52 52 18112 1 . ILE 53 53 18112 1 . THR 54 54 18112 1 . SER 55 55 18112 1 . GLN 56 56 18112 1 . LEU 57 57 18112 1 . ILE 58 58 18112 1 . LYS 59 59 18112 1 . TRP 60 60 18112 1 . PHE 61 61 18112 1 . SER 62 62 18112 1 . ASN 63 63 18112 1 . PHE 64 64 18112 1 . ARG 65 65 18112 1 . GLU 66 66 18112 1 . PHE 67 67 18112 1 . TYR 68 68 18112 1 . TYR 69 69 18112 1 . ILE 70 70 18112 1 . GLN 71 71 18112 1 . MET 72 72 18112 1 . GLU 73 73 18112 1 . LYS 74 74 18112 1 . TYR 75 75 18112 1 . ALA 76 76 18112 1 . ARG 77 77 18112 1 . GLN 78 78 18112 1 . ALA 79 79 18112 1 . ILE 80 80 18112 1 . ASN 81 81 18112 1 . ASP 82 82 18112 1 . GLY 83 83 18112 1 . VAL 84 84 18112 1 . THR 85 85 18112 1 . SER 86 86 18112 1 . THR 87 87 18112 1 . GLU 88 88 18112 1 . GLU 89 89 18112 1 . LEU 90 90 18112 1 . SER 91 91 18112 1 . ILE 92 92 18112 1 . THR 93 93 18112 1 . ARG 94 94 18112 1 . ASP 95 95 18112 1 . CYS 96 96 18112 1 . GLU 97 97 18112 1 . LEU 98 98 18112 1 . TYR 99 99 18112 1 . ARG 100 100 18112 1 . ALA 101 101 18112 1 . LEU 102 102 18112 1 . ASN 103 103 18112 1 . MET 104 104 18112 1 . HIS 105 105 18112 1 . TYR 106 106 18112 1 . ASN 107 107 18112 1 . LYS 108 108 18112 1 . ALA 109 109 18112 1 . ASN 110 110 18112 1 . ASP 111 111 18112 1 . PHE 112 112 18112 1 . GLU 113 113 18112 1 . VAL 114 114 18112 1 . PRO 115 115 18112 1 . GLU 116 116 18112 1 . ARG 117 117 18112 1 . PHE 118 118 18112 1 . LEU 119 119 18112 1 . GLU 120 120 18112 1 . VAL 121 121 18112 1 . ALA 122 122 18112 1 . GLN 123 123 18112 1 . ILE 124 124 18112 1 . THR 125 125 18112 1 . LEU 126 126 18112 1 . ARG 127 127 18112 1 . GLU 128 128 18112 1 . PHE 129 129 18112 1 . PHE 130 130 18112 1 . ASN 131 131 18112 1 . ALA 132 132 18112 1 . ILE 133 133 18112 1 . ILE 134 134 18112 1 . ALA 135 135 18112 1 . GLY 136 136 18112 1 . LYS 137 137 18112 1 . ASP 138 138 18112 1 . VAL 139 139 18112 1 . ASP 140 140 18112 1 . PRO 141 141 18112 1 . SER 142 142 18112 1 . TRP 143 143 18112 1 . LYS 144 144 18112 1 . LYS 145 145 18112 1 . ALA 146 146 18112 1 . ILE 147 147 18112 1 . TYR 148 148 18112 1 . LYS 149 149 18112 1 . VAL 150 150 18112 1 . ILE 151 151 18112 1 . CYS 152 152 18112 1 . LYS 153 153 18112 1 . LEU 154 154 18112 1 . ASP 155 155 18112 1 . SER 156 156 18112 1 . GLU 157 157 18112 1 . VAL 158 158 18112 1 . PRO 159 159 18112 1 . GLU 160 160 18112 1 . ILE 161 161 18112 1 . PHE 162 162 18112 1 . LYS 163 163 18112 1 . SER 164 164 18112 1 . PRO 165 165 18112 1 . ASN 166 166 18112 1 . CYS 167 167 18112 1 . LEU 168 168 18112 1 . GLN 169 169 18112 1 . GLU 170 170 18112 1 . LEU 171 171 18112 1 . LEU 172 172 18112 1 . HIS 173 173 18112 1 . GLU 174 174 18112 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 18112 _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 $HR4660B . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . PROX1 . . . . 18112 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 18112 _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 $HR4660B . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3)pMgK . . . . . . . . . . . . . . . pET15_NESG . . . . . . 18112 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18112 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.1 mM [U-100% 13C; U-100% 15N] HR4660B, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 HR4660B '[U-100% 13C; U-100% 15N]' . . 1 $HR4660B . . 0.96 . . mM . . . . 18112 1 2 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 18112 1 3 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 18112 1 4 'Calcium Chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 18112 1 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 18112 1 6 MES 'natural abundance' . . . . . . 20 . . mM . . . . 18112 1 7 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18112 1 8 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18112 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18112 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.2 mM [U-13C; U-15N; U-2H, 1H-LEU HD1,2 1H VAL-HG1,2 1H-ILE HD1] HR4660B, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 HR4660B '[U-13C; U-15N; U-2H]' . . 1 $HR4660B . . 0.2 . . mM . . . . 18112 2 2 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 18112 2 3 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 18112 2 4 'Calcium Chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 18112 2 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 18112 2 6 MES 'natural abundance' . . . . . . 20 . . mM . . . . 18112 2 7 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18112 2 8 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18112 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 18112 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.86 mM [5% 13C; U-100% 15N] HR4660B, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 HR4660B '[5% 13C; U-100% 15N]' . . 1 $HR4660B . . 0.86 . . mM . . . . 18112 3 2 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 18112 3 3 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 18112 3 4 'Calcium Chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 18112 3 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 18112 3 6 MES 'natural abundance' . . . . . . 20 . . mM . . . . 18112 3 7 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18112 3 8 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18112 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18112 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 . pH 18112 1 pressure 1 . atm 18112 1 temperature 298 . K 18112 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 18112 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 18112 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'refinemen,structure solution,geometry optimization' 18112 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18112 _Software.ID 2 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18112 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'refinement,geometry optimization,structure solution' 18112 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18112 _Software.ID 3 _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' . . 18112 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18112 3 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18112 _Software.ID 4 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18112 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18112 4 stop_ save_ save_PINE _Software.Sf_category software _Software.Sf_framecode PINE _Software.Entry_ID 18112 _Software.ID 5 _Software.Name PINE _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bahrami, Markley, Assadi, and Eghbalnia' . . 18112 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18112 5 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18112 _Software.ID 6 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18112 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18112 6 stop_ save_ save_TALOS+ _Software.Sf_category software _Software.Sf_framecode TALOS+ _Software.Entry_ID 18112 _Software.ID 7 _Software.Name TALOS+ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Shen, Cornilescu, Delaglio and Bax' . . 18112 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 18112 7 stop_ save_ save_PALES _Software.Sf_category software _Software.Sf_framecode PALES _Software.Entry_ID 18112 _Software.ID 8 _Software.Name PALES _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'PALES (Zweckstetter, Bax)' . . 18112 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 18112 8 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 18112 _Software.ID 9 _Software.Name PSVS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 18112 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure validation' 18112 9 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 18112 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18112 _NMR_spectrometer.ID 2 _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 18112 _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 . 800 . 1 $citations 18112 1 2 spectrometer_2 Bruker Avance . 600 . 1 $citations 18112 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 18112 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18112 1 2 '2D 1H-13C HSQC' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18112 1 3 '3D HNCO' yes . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18112 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18112 1 5 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18112 1 6 '3D 1H-13C arom NOESY' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18112 1 7 '3D 1H-15N NOESY' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18112 1 8 '3D 1H-13C-13C HSQC_NOESY_HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18112 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18112 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18112 1 11 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18112 1 stop_ save_ save_NMR_spectrometer_expt_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_1 _NMR_spec_expt.Entry_ID 18112 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D 1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqu 'acquisition parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18112/timedomain_data/bmrb18112_timedomain/B800/HR4660B.005_NC_073008/N_hsqc/ . . . . . . . 18112 1 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18112/timedomain_data/bmrb18112_timedomain/B800/HR4660B.005_NC_073008/N_hsqc/ . . . . . . . 18112 1 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18112/timedomain_data/bmrb18112_timedomain/B800/HR4660B.005_NC_073008/N_hsqc/ . . . . . . . 18112 1 . 'NMR Experimental Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18112/timedomain_data/bmrb18112_timedomain/B800/HR4660B.005_NC_073008/N_hsqc/ . . . . . . . 18112 1 stop_ save_ save_NMR_spectrometer_expt_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_2 _NMR_spec_expt.Entry_ID 18112 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D 1H-13C HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqu 'acquisition parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18112/timedomain_data/bmrb18112_timedomain/B800/HR4660B.005_NC_073008/5mm_hsqc/ . . . . . . . 18112 2 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18112/timedomain_data/bmrb18112_timedomain/B800/HR4660B.005_NC_073008/5mm_hsqc/ . . . . . . . 18112 2 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18112/timedomain_data/bmrb18112_timedomain/B800/HR4660B.005_NC_073008/5mm_hsqc/ . . . . . . . 18112 2 . 'NMR Experimental Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18112/timedomain_data/bmrb18112_timedomain/B800/HR4660B.005_NC_073008/5mm_hsqc/ . . . . . . . 18112 2 stop_ save_ save_NMR_spectrometer_expt_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_3 _NMR_spec_expt.Entry_ID 18112 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '3D HNCO' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqu 'acquisition parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18112/timedomain_data/bmrb18112_timedomain/B800/HR4660B.005_NC_073008/trHNCO/ . . . . . . . 18112 3 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18112/timedomain_data/bmrb18112_timedomain/B800/HR4660B.005_NC_073008/trHNCO/ . . . . . . . 18112 3 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18112/timedomain_data/bmrb18112_timedomain/B800/HR4660B.005_NC_073008/trHNCO/ . . . . . . . 18112 3 . 'NMR Experimental Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18112/timedomain_data/bmrb18112_timedomain/B800/HR4660B.005_NC_073008/trHNCO/ . . . . . . . 18112 3 stop_ save_ save_NMR_spectrometer_expt_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_6 _NMR_spec_expt.Entry_ID 18112 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D 1H-13C arom NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqu 'acquisition parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18112/timedomain_data/bmrb18112_timedomain/B800/HR4660B.005_NC_073008/aro_noesy/ . . . . . . . 18112 4 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18112/timedomain_data/bmrb18112_timedomain/B800/HR4660B.005_NC_073008/aro_noesy/ . . . . . . . 18112 4 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18112/timedomain_data/bmrb18112_timedomain/B800/HR4660B.005_NC_073008/aro_noesy/ . . . . . . . 18112 4 . 'NMR Experimental Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18112/timedomain_data/bmrb18112_timedomain/B800/HR4660B.005_NC_073008/aro_noesy/ . . . . . . . 18112 4 stop_ save_ save_NMR_spectrometer_expt_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_7 _NMR_spec_expt.Entry_ID 18112 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D 1H-15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqu 'acquisition parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18112/timedomain_data/bmrb18112_timedomain/B800/HR4660B.005_NC_073008/N_noesy/ . . . . . . . 18112 5 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18112/timedomain_data/bmrb18112_timedomain/B800/HR4660B.005_NC_073008/N_noesy/ . . . . . . . 18112 5 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18112/timedomain_data/bmrb18112_timedomain/B800/HR4660B.005_NC_073008/N_noesy/ . . . . . . . 18112 5 . 'NMR Experimental Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18112/timedomain_data/bmrb18112_timedomain/B800/HR4660B.005_NC_073008/N_noesy/ . . . . . . . 18112 5 stop_ save_ save_NMR_spectrometer_expt_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_11 _NMR_spec_expt.Entry_ID 18112 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '2D 1H-13C HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqu 'acquisition parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18112/timedomain_data/bmrb18112_timedomain/B600/HR4660B_NCD_102008/HSQC/ . . . . . . . 18112 6 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18112/timedomain_data/bmrb18112_timedomain/B600/HR4660B_NCD_102008/HSQC/ . . . . . . . 18112 6 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18112/timedomain_data/bmrb18112_timedomain/B600/HR4660B_NCD_102008/HSQC/ . . . . . . . 18112 6 . 'NMR Experimental Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18112/timedomain_data/bmrb18112_timedomain/B600/HR4660B_NCD_102008/HSQC/ . . . . . . . 18112 6 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18112 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18112 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18112 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18112 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18112 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18112 1 2 '2D 1H-13C HSQC' . . . 18112 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 12 12 ALA H H 1 8.311 0.020 . 1 . . . A 12 ALA H . 18112 1 2 . 1 1 12 12 ALA HB1 H 1 1.349 0.020 . 1 . . . A 12 ALA HB1 . 18112 1 3 . 1 1 12 12 ALA HB2 H 1 1.349 0.020 . 1 . . . A 12 ALA HB2 . 18112 1 4 . 1 1 12 12 ALA HB3 H 1 1.349 0.020 . 1 . . . A 12 ALA HB3 . 18112 1 5 . 1 1 12 12 ALA C C 13 177.566 0.400 . 1 . . . A 12 ALA C . 18112 1 6 . 1 1 12 12 ALA CA C 13 52.067 0.400 . 1 . . . A 12 ALA CA . 18112 1 7 . 1 1 12 12 ALA CB C 13 18.456 0.400 . 1 . . . A 12 ALA CB . 18112 1 8 . 1 1 12 12 ALA N N 15 125.167 0.400 . 1 . . . A 12 ALA N . 18112 1 9 . 1 1 13 13 MET H H 1 8.269 0.020 . 1 . . . A 13 MET H . 18112 1 10 . 1 1 13 13 MET HE1 H 1 2.018 0.020 . 1 . . . A 13 MET HE1 . 18112 1 11 . 1 1 13 13 MET HE2 H 1 2.018 0.020 . 1 . . . A 13 MET HE2 . 18112 1 12 . 1 1 13 13 MET HE3 H 1 2.018 0.020 . 1 . . . A 13 MET HE3 . 18112 1 13 . 1 1 13 13 MET C C 13 176.325 0.400 . 1 . . . A 13 MET C . 18112 1 14 . 1 1 13 13 MET CA C 13 54.992 0.400 . 1 . . . A 13 MET CA . 18112 1 15 . 1 1 13 13 MET CB C 13 32.308 0.400 . 1 . . . A 13 MET CB . 18112 1 16 . 1 1 13 13 MET CE C 13 17.003 0.400 . 1 . . . A 13 MET CE . 18112 1 17 . 1 1 13 13 MET N N 15 119.278 0.400 . 1 . . . A 13 MET N . 18112 1 18 . 1 1 14 14 GLN H H 1 8.501 0.020 . 1 . . . A 14 GLN H . 18112 1 19 . 1 1 14 14 GLN HA H 1 4.399 0.020 . 1 . . . A 14 GLN HA . 18112 1 20 . 1 1 14 14 GLN HB2 H 1 2.181 0.020 . 2 . . . A 14 GLN HB2 . 18112 1 21 . 1 1 14 14 GLN HB3 H 1 2.002 0.020 . 2 . . . A 14 GLN HB3 . 18112 1 22 . 1 1 14 14 GLN C C 13 175.644 0.400 . 1 . . . A 14 GLN C . 18112 1 23 . 1 1 14 14 GLN CA C 13 55.139 0.400 . 1 . . . A 14 GLN CA . 18112 1 24 . 1 1 14 14 GLN CB C 13 29.051 0.400 . 1 . . . A 14 GLN CB . 18112 1 25 . 1 1 14 14 GLN N N 15 120.869 0.400 . 1 . . . A 14 GLN N . 18112 1 26 . 1 1 15 15 GLU H H 1 8.547 0.020 . 1 . . . A 15 GLU H . 18112 1 27 . 1 1 15 15 GLU C C 13 176.242 0.400 . 1 . . . A 15 GLU C . 18112 1 28 . 1 1 15 15 GLU CA C 13 56.064 0.400 . 1 . . . A 15 GLU CA . 18112 1 29 . 1 1 15 15 GLU CB C 13 29.302 0.400 . 1 . . . A 15 GLU CB . 18112 1 30 . 1 1 15 15 GLU N N 15 122.042 0.400 . 1 . . . A 15 GLU N . 18112 1 31 . 1 1 16 16 GLY H H 1 8.100 0.020 . 1 . . . A 16 GLY H . 18112 1 32 . 1 1 16 16 GLY C C 13 172.949 0.400 . 1 . . . A 16 GLY C . 18112 1 33 . 1 1 16 16 GLY CA C 13 44.227 0.400 . 1 . . . A 16 GLY CA . 18112 1 34 . 1 1 16 16 GLY N N 15 108.821 0.400 . 1 . . . A 16 GLY N . 18112 1 35 . 1 1 17 17 LEU H H 1 8.222 0.020 . 1 . . . A 17 LEU H . 18112 1 36 . 1 1 17 17 LEU HD11 H 1 0.094 0.020 . 1 . . . A 17 LEU HD11 . 18112 1 37 . 1 1 17 17 LEU HD12 H 1 0.094 0.020 . 1 . . . A 17 LEU HD12 . 18112 1 38 . 1 1 17 17 LEU HD13 H 1 0.094 0.020 . 1 . . . A 17 LEU HD13 . 18112 1 39 . 1 1 17 17 LEU HD21 H 1 0.278 0.020 . 1 . . . A 17 LEU HD21 . 18112 1 40 . 1 1 17 17 LEU HD22 H 1 0.278 0.020 . 1 . . . A 17 LEU HD22 . 18112 1 41 . 1 1 17 17 LEU HD23 H 1 0.278 0.020 . 1 . . . A 17 LEU HD23 . 18112 1 42 . 1 1 17 17 LEU C C 13 177.334 0.400 . 1 . . . A 17 LEU C . 18112 1 43 . 1 1 17 17 LEU CA C 13 53.544 0.400 . 1 . . . A 17 LEU CA . 18112 1 44 . 1 1 17 17 LEU CB C 13 42.140 0.400 . 1 . . . A 17 LEU CB . 18112 1 45 . 1 1 17 17 LEU CD1 C 13 25.201 0.400 . 1 . . . A 17 LEU CD1 . 18112 1 46 . 1 1 17 17 LEU CD2 C 13 22.934 0.400 . 1 . . . A 17 LEU CD2 . 18112 1 47 . 1 1 17 17 LEU N N 15 120.315 0.400 . 1 . . . A 17 LEU N . 18112 1 48 . 1 1 18 18 SER H H 1 11.627 0.020 . 1 . . . A 18 SER H . 18112 1 49 . 1 1 18 18 SER CA C 13 56.851 0.400 . 1 . . . A 18 SER CA . 18112 1 50 . 1 1 18 18 SER CB C 13 64.636 0.400 . 1 . . . A 18 SER CB . 18112 1 51 . 1 1 18 18 SER N N 15 126.547 0.400 . 1 . . . A 18 SER N . 18112 1 52 . 1 1 19 19 PRO C C 13 175.118 0.400 . 1 . . . A 19 PRO C . 18112 1 53 . 1 1 20 20 ASN H H 1 8.172 0.020 . 1 . . . A 20 ASN H . 18112 1 54 . 1 1 20 20 ASN N N 15 121.372 0.400 . 1 . . . A 20 ASN N . 18112 1 55 . 1 1 21 21 HIS HD2 H 1 7.649 0.020 . 1 . . . A 21 HIS HD2 . 18112 1 56 . 1 1 21 21 HIS HE1 H 1 7.771 0.020 . 1 . . . A 21 HIS HE1 . 18112 1 57 . 1 1 21 21 HIS CD2 C 13 116.511 0.400 . 1 . . . A 21 HIS CD2 . 18112 1 58 . 1 1 21 21 HIS CE1 C 13 138.137 0.400 . 1 . . . A 21 HIS CE1 . 18112 1 59 . 1 1 22 22 LEU HD11 H 1 -0.350 0.020 . 1 . . . A 22 LEU HD11 . 18112 1 60 . 1 1 22 22 LEU HD12 H 1 -0.350 0.020 . 1 . . . A 22 LEU HD12 . 18112 1 61 . 1 1 22 22 LEU HD13 H 1 -0.350 0.020 . 1 . . . A 22 LEU HD13 . 18112 1 62 . 1 1 22 22 LEU HD21 H 1 0.474 0.020 . 1 . . . A 22 LEU HD21 . 18112 1 63 . 1 1 22 22 LEU HD22 H 1 0.474 0.020 . 1 . . . A 22 LEU HD22 . 18112 1 64 . 1 1 22 22 LEU HD23 H 1 0.474 0.020 . 1 . . . A 22 LEU HD23 . 18112 1 65 . 1 1 22 22 LEU CD1 C 13 20.649 0.400 . 1 . . . A 22 LEU CD1 . 18112 1 66 . 1 1 22 22 LEU CD2 C 13 25.182 0.400 . 1 . . . A 22 LEU CD2 . 18112 1 67 . 1 1 25 25 ALA HB1 H 1 1.976 0.020 . 1 . . . A 25 ALA HB1 . 18112 1 68 . 1 1 25 25 ALA HB2 H 1 1.976 0.020 . 1 . . . A 25 ALA HB2 . 18112 1 69 . 1 1 25 25 ALA HB3 H 1 1.976 0.020 . 1 . . . A 25 ALA HB3 . 18112 1 70 . 1 1 25 25 ALA CB C 13 18.020 0.400 . 1 . . . A 25 ALA CB . 18112 1 71 . 1 1 26 26 LYS H H 1 6.794 0.020 . 1 . . . A 26 LYS H . 18112 1 72 . 1 1 26 26 LYS CA C 13 56.146 0.400 . 1 . . . A 26 LYS CA . 18112 1 73 . 1 1 26 26 LYS N N 15 118.490 0.400 . 1 . . . A 26 LYS N . 18112 1 74 . 1 1 27 27 LEU HD11 H 1 0.815 0.020 . 1 . . . A 27 LEU HD11 . 18112 1 75 . 1 1 27 27 LEU HD12 H 1 0.815 0.020 . 1 . . . A 27 LEU HD12 . 18112 1 76 . 1 1 27 27 LEU HD13 H 1 0.815 0.020 . 1 . . . A 27 LEU HD13 . 18112 1 77 . 1 1 27 27 LEU HD21 H 1 0.875 0.020 . 1 . . . A 27 LEU HD21 . 18112 1 78 . 1 1 27 27 LEU HD22 H 1 0.875 0.020 . 1 . . . A 27 LEU HD22 . 18112 1 79 . 1 1 27 27 LEU HD23 H 1 0.875 0.020 . 1 . . . A 27 LEU HD23 . 18112 1 80 . 1 1 27 27 LEU CD1 C 13 23.410 0.400 . 1 . . . A 27 LEU CD1 . 18112 1 81 . 1 1 27 27 LEU CD2 C 13 24.920 0.400 . 1 . . . A 27 LEU CD2 . 18112 1 82 . 1 1 28 28 MET HE1 H 1 1.662 0.020 . 1 . . . A 28 MET HE1 . 18112 1 83 . 1 1 28 28 MET HE2 H 1 1.662 0.020 . 1 . . . A 28 MET HE2 . 18112 1 84 . 1 1 28 28 MET HE3 H 1 1.662 0.020 . 1 . . . A 28 MET HE3 . 18112 1 85 . 1 1 28 28 MET CE C 13 15.658 0.400 . 1 . . . A 28 MET CE . 18112 1 86 . 1 1 31 31 TYR HA H 1 4.398 0.020 . 1 . . . A 31 TYR HA . 18112 1 87 . 1 1 31 31 TYR HB2 H 1 2.755 0.020 . 1 . . . A 31 TYR HB2 . 18112 1 88 . 1 1 31 31 TYR HB3 H 1 2.755 0.020 . 1 . . . A 31 TYR HB3 . 18112 1 89 . 1 1 31 31 TYR C C 13 173.714 0.400 . 1 . . . A 31 TYR C . 18112 1 90 . 1 1 31 31 TYR CA C 13 59.757 0.400 . 1 . . . A 31 TYR CA . 18112 1 91 . 1 1 32 32 THR H H 1 8.237 0.020 . 1 . . . A 32 THR H . 18112 1 92 . 1 1 32 32 THR HA H 1 4.209 0.020 . 1 . . . A 32 THR HA . 18112 1 93 . 1 1 32 32 THR HB H 1 4.222 0.020 . 1 . . . A 32 THR HB . 18112 1 94 . 1 1 32 32 THR HG21 H 1 0.887 0.020 . 1 . . . A 32 THR HG21 . 18112 1 95 . 1 1 32 32 THR HG22 H 1 0.887 0.020 . 1 . . . A 32 THR HG22 . 18112 1 96 . 1 1 32 32 THR HG23 H 1 0.887 0.020 . 1 . . . A 32 THR HG23 . 18112 1 97 . 1 1 32 32 THR C C 13 171.061 0.400 . 1 . . . A 32 THR C . 18112 1 98 . 1 1 32 32 THR CA C 13 56.905 0.400 . 1 . . . A 32 THR CA . 18112 1 99 . 1 1 32 32 THR CB C 13 69.707 0.400 . 1 . . . A 32 THR CB . 18112 1 100 . 1 1 32 32 THR CG2 C 13 21.463 0.400 . 1 . . . A 32 THR CG2 . 18112 1 101 . 1 1 32 32 THR N N 15 111.928 0.400 . 1 . . . A 32 THR N . 18112 1 102 . 1 1 33 33 ARG H H 1 9.159 0.020 . 1 . . . A 33 ARG H . 18112 1 103 . 1 1 33 33 ARG C C 13 176.451 0.400 . 1 . . . A 33 ARG C . 18112 1 104 . 1 1 33 33 ARG CA C 13 55.627 0.400 . 1 . . . A 33 ARG CA . 18112 1 105 . 1 1 33 33 ARG CB C 13 29.861 0.400 . 1 . . . A 33 ARG CB . 18112 1 106 . 1 1 33 33 ARG N N 15 124.856 0.400 . 1 . . . A 33 ARG N . 18112 1 107 . 1 1 34 34 TYR H H 1 8.995 0.020 . 1 . . . A 34 TYR H . 18112 1 108 . 1 1 34 34 TYR CA C 13 55.320 0.400 . 1 . . . A 34 TYR CA . 18112 1 109 . 1 1 34 34 TYR N N 15 117.908 0.400 . 1 . . . A 34 TYR N . 18112 1 110 . 1 1 35 35 PRO C C 13 177.280 0.400 . 1 . . . A 35 PRO C . 18112 1 111 . 1 1 36 36 SER H H 1 8.106 0.020 . 1 . . . A 36 SER H . 18112 1 112 . 1 1 36 36 SER C C 13 178.938 0.400 . 1 . . . A 36 SER C . 18112 1 113 . 1 1 36 36 SER CA C 13 64.815 0.400 . 1 . . . A 36 SER CA . 18112 1 114 . 1 1 36 36 SER N N 15 116.410 0.400 . 1 . . . A 36 SER N . 18112 1 115 . 1 1 37 37 SER H H 1 8.169 0.020 . 1 . . . A 37 SER H . 18112 1 116 . 1 1 37 37 SER C C 13 177.698 0.400 . 1 . . . A 37 SER C . 18112 1 117 . 1 1 37 37 SER CA C 13 61.357 0.400 . 1 . . . A 37 SER CA . 18112 1 118 . 1 1 37 37 SER CB C 13 68.118 0.400 . 1 . . . A 37 SER CB . 18112 1 119 . 1 1 37 37 SER N N 15 117.488 0.400 . 1 . . . A 37 SER N . 18112 1 120 . 1 1 38 38 ASN H H 1 8.284 0.020 . 1 . . . A 38 ASN H . 18112 1 121 . 1 1 38 38 ASN HA H 1 4.259 0.020 . 1 . . . A 38 ASN HA . 18112 1 122 . 1 1 38 38 ASN HB2 H 1 2.679 0.020 . 1 . . . A 38 ASN HB2 . 18112 1 123 . 1 1 38 38 ASN HB3 H 1 2.679 0.020 . 1 . . . A 38 ASN HB3 . 18112 1 124 . 1 1 38 38 ASN C C 13 177.868 0.400 . 1 . . . A 38 ASN C . 18112 1 125 . 1 1 38 38 ASN CA C 13 55.907 0.400 . 1 . . . A 38 ASN CA . 18112 1 126 . 1 1 38 38 ASN CB C 13 37.230 0.400 . 1 . . . A 38 ASN CB . 18112 1 127 . 1 1 38 38 ASN N N 15 115.638 0.400 . 1 . . . A 38 ASN N . 18112 1 128 . 1 1 39 39 MET H H 1 7.857 0.020 . 1 . . . A 39 MET H . 18112 1 129 . 1 1 39 39 MET HA H 1 4.170 0.020 . 1 . . . A 39 MET HA . 18112 1 130 . 1 1 39 39 MET HE1 H 1 1.851 0.020 . 1 . . . A 39 MET HE1 . 18112 1 131 . 1 1 39 39 MET HE2 H 1 1.851 0.020 . 1 . . . A 39 MET HE2 . 18112 1 132 . 1 1 39 39 MET HE3 H 1 1.851 0.020 . 1 . . . A 39 MET HE3 . 18112 1 133 . 1 1 39 39 MET C C 13 179.068 0.400 . 1 . . . A 39 MET C . 18112 1 134 . 1 1 39 39 MET CA C 13 58.751 0.400 . 1 . . . A 39 MET CA . 18112 1 135 . 1 1 39 39 MET CB C 13 31.850 0.400 . 1 . . . A 39 MET CB . 18112 1 136 . 1 1 39 39 MET CE C 13 17.796 0.400 . 1 . . . A 39 MET CE . 18112 1 137 . 1 1 39 39 MET N N 15 121.352 0.400 . 1 . . . A 39 MET N . 18112 1 138 . 1 1 40 40 LEU H H 1 8.167 0.020 . 1 . . . A 40 LEU H . 18112 1 139 . 1 1 40 40 LEU HA H 1 4.139 0.020 . 1 . . . A 40 LEU HA . 18112 1 140 . 1 1 40 40 LEU HD11 H 1 0.633 0.020 . 1 . . . A 40 LEU HD11 . 18112 1 141 . 1 1 40 40 LEU HD12 H 1 0.633 0.020 . 1 . . . A 40 LEU HD12 . 18112 1 142 . 1 1 40 40 LEU HD13 H 1 0.633 0.020 . 1 . . . A 40 LEU HD13 . 18112 1 143 . 1 1 40 40 LEU HD21 H 1 0.737 0.020 . 1 . . . A 40 LEU HD21 . 18112 1 144 . 1 1 40 40 LEU HD22 H 1 0.737 0.020 . 1 . . . A 40 LEU HD22 . 18112 1 145 . 1 1 40 40 LEU HD23 H 1 0.737 0.020 . 1 . . . A 40 LEU HD23 . 18112 1 146 . 1 1 40 40 LEU C C 13 178.700 0.400 . 1 . . . A 40 LEU C . 18112 1 147 . 1 1 40 40 LEU CA C 13 58.455 0.400 . 1 . . . A 40 LEU CA . 18112 1 148 . 1 1 40 40 LEU CB C 13 40.304 0.400 . 1 . . . A 40 LEU CB . 18112 1 149 . 1 1 40 40 LEU CD1 C 13 25.467 0.400 . 1 . . . A 40 LEU CD1 . 18112 1 150 . 1 1 40 40 LEU CD2 C 13 22.779 0.400 . 1 . . . A 40 LEU CD2 . 18112 1 151 . 1 1 40 40 LEU N N 15 118.936 0.400 . 1 . . . A 40 LEU N . 18112 1 152 . 1 1 41 41 LYS H H 1 7.632 0.020 . 1 . . . A 41 LYS H . 18112 1 153 . 1 1 41 41 LYS HA H 1 3.475 0.020 . 1 . . . A 41 LYS HA . 18112 1 154 . 1 1 41 41 LYS HB2 H 1 1.439 0.020 . 1 . . . A 41 LYS HB2 . 18112 1 155 . 1 1 41 41 LYS HB3 H 1 1.439 0.020 . 1 . . . A 41 LYS HB3 . 18112 1 156 . 1 1 41 41 LYS C C 13 178.793 0.400 . 1 . . . A 41 LYS C . 18112 1 157 . 1 1 41 41 LYS CA C 13 59.161 0.400 . 1 . . . A 41 LYS CA . 18112 1 158 . 1 1 41 41 LYS CB C 13 30.992 0.400 . 1 . . . A 41 LYS CB . 18112 1 159 . 1 1 41 41 LYS N N 15 116.791 0.400 . 1 . . . A 41 LYS N . 18112 1 160 . 1 1 42 42 THR H H 1 7.469 0.020 . 1 . . . A 42 THR H . 18112 1 161 . 1 1 42 42 THR HA H 1 4.230 0.020 . 1 . . . A 42 THR HA . 18112 1 162 . 1 1 42 42 THR HB H 1 3.884 0.020 . 1 . . . A 42 THR HB . 18112 1 163 . 1 1 42 42 THR C C 13 176.142 0.400 . 1 . . . A 42 THR C . 18112 1 164 . 1 1 42 42 THR CA C 13 65.107 0.400 . 1 . . . A 42 THR CA . 18112 1 165 . 1 1 42 42 THR CB C 13 68.306 0.400 . 1 . . . A 42 THR CB . 18112 1 166 . 1 1 42 42 THR N N 15 112.819 0.400 . 1 . . . A 42 THR N . 18112 1 167 . 1 1 43 43 TYR H H 1 7.978 0.020 . 1 . . . A 43 TYR H . 18112 1 168 . 1 1 43 43 TYR HA H 1 4.204 0.020 . 1 . . . A 43 TYR HA . 18112 1 169 . 1 1 43 43 TYR HB2 H 1 2.937 0.020 . 1 . . . A 43 TYR HB2 . 18112 1 170 . 1 1 43 43 TYR HB3 H 1 2.937 0.020 . 1 . . . A 43 TYR HB3 . 18112 1 171 . 1 1 43 43 TYR HD1 H 1 7.095 0.020 . 1 . . . A 43 TYR HD1 . 18112 1 172 . 1 1 43 43 TYR HD2 H 1 7.095 0.020 . 1 . . . A 43 TYR HD2 . 18112 1 173 . 1 1 43 43 TYR HE1 H 1 6.700 0.020 . 1 . . . A 43 TYR HE1 . 18112 1 174 . 1 1 43 43 TYR HE2 H 1 6.700 0.020 . 1 . . . A 43 TYR HE2 . 18112 1 175 . 1 1 43 43 TYR C C 13 174.240 0.400 . 1 . . . A 43 TYR C . 18112 1 176 . 1 1 43 43 TYR CA C 13 60.886 0.400 . 1 . . . A 43 TYR CA . 18112 1 177 . 1 1 43 43 TYR CB C 13 38.165 0.400 . 1 . . . A 43 TYR CB . 18112 1 178 . 1 1 43 43 TYR CD1 C 13 132.980 0.400 . 1 . . . A 43 TYR CD1 . 18112 1 179 . 1 1 43 43 TYR CD2 C 13 132.980 0.400 . 1 . . . A 43 TYR CD2 . 18112 1 180 . 1 1 43 43 TYR CE1 C 13 118.868 0.400 . 1 . . . A 43 TYR CE1 . 18112 1 181 . 1 1 43 43 TYR CE2 C 13 118.868 0.400 . 1 . . . A 43 TYR CE2 . 18112 1 182 . 1 1 43 43 TYR N N 15 118.565 0.400 . 1 . . . A 43 TYR N . 18112 1 183 . 1 1 44 44 PHE H H 1 7.955 0.020 . 1 . . . A 44 PHE H . 18112 1 184 . 1 1 44 44 PHE HA H 1 4.920 0.020 . 1 . . . A 44 PHE HA . 18112 1 185 . 1 1 44 44 PHE HB2 H 1 3.209 0.020 . 1 . . . A 44 PHE HB2 . 18112 1 186 . 1 1 44 44 PHE HB3 H 1 3.209 0.020 . 1 . . . A 44 PHE HB3 . 18112 1 187 . 1 1 44 44 PHE HD1 H 1 7.722 0.020 . 1 . . . A 44 PHE HD1 . 18112 1 188 . 1 1 44 44 PHE HD2 H 1 7.722 0.020 . 1 . . . A 44 PHE HD2 . 18112 1 189 . 1 1 44 44 PHE HE1 H 1 7.613 0.020 . 1 . . . A 44 PHE HE1 . 18112 1 190 . 1 1 44 44 PHE HE2 H 1 7.613 0.020 . 1 . . . A 44 PHE HE2 . 18112 1 191 . 1 1 44 44 PHE HZ H 1 7.431 0.020 . 1 . . . A 44 PHE HZ . 18112 1 192 . 1 1 44 44 PHE C C 13 176.436 0.400 . 1 . . . A 44 PHE C . 18112 1 193 . 1 1 44 44 PHE CA C 13 56.672 0.400 . 1 . . . A 44 PHE CA . 18112 1 194 . 1 1 44 44 PHE CB C 13 36.570 0.400 . 1 . . . A 44 PHE CB . 18112 1 195 . 1 1 44 44 PHE CD1 C 13 132.698 0.400 . 1 . . . A 44 PHE CD1 . 18112 1 196 . 1 1 44 44 PHE CD2 C 13 132.698 0.400 . 1 . . . A 44 PHE CD2 . 18112 1 197 . 1 1 44 44 PHE CE1 C 13 130.500 0.400 . 1 . . . A 44 PHE CE1 . 18112 1 198 . 1 1 44 44 PHE CE2 C 13 130.500 0.400 . 1 . . . A 44 PHE CE2 . 18112 1 199 . 1 1 44 44 PHE CZ C 13 129.100 0.400 . 1 . . . A 44 PHE CZ . 18112 1 200 . 1 1 44 44 PHE N N 15 120.980 0.400 . 1 . . . A 44 PHE N . 18112 1 201 . 1 1 45 45 SER H H 1 7.932 0.020 . 1 . . . A 45 SER H . 18112 1 202 . 1 1 45 45 SER HA H 1 4.373 0.020 . 1 . . . A 45 SER HA . 18112 1 203 . 1 1 45 45 SER HB2 H 1 4.116 0.020 . 1 . . . A 45 SER HB2 . 18112 1 204 . 1 1 45 45 SER HB3 H 1 4.116 0.020 . 1 . . . A 45 SER HB3 . 18112 1 205 . 1 1 45 45 SER C C 13 174.424 0.400 . 1 . . . A 45 SER C . 18112 1 206 . 1 1 45 45 SER CA C 13 61.037 0.400 . 1 . . . A 45 SER CA . 18112 1 207 . 1 1 45 45 SER CB C 13 62.711 0.400 . 1 . . . A 45 SER CB . 18112 1 208 . 1 1 45 45 SER N N 15 113.407 0.400 . 1 . . . A 45 SER N . 18112 1 209 . 1 1 46 46 ASP H H 1 9.889 0.020 . 1 . . . A 46 ASP H . 18112 1 210 . 1 1 46 46 ASP HA H 1 4.572 0.020 . 1 . . . A 46 ASP HA . 18112 1 211 . 1 1 46 46 ASP HB2 H 1 2.903 0.020 . 2 . . . A 46 ASP HB2 . 18112 1 212 . 1 1 46 46 ASP HB3 H 1 2.631 0.020 . 2 . . . A 46 ASP HB3 . 18112 1 213 . 1 1 46 46 ASP C C 13 174.866 0.400 . 1 . . . A 46 ASP C . 18112 1 214 . 1 1 46 46 ASP CA C 13 53.602 0.400 . 1 . . . A 46 ASP CA . 18112 1 215 . 1 1 46 46 ASP CB C 13 38.992 0.400 . 1 . . . A 46 ASP CB . 18112 1 216 . 1 1 46 46 ASP N N 15 118.099 0.400 . 1 . . . A 46 ASP N . 18112 1 217 . 1 1 47 47 VAL H H 1 7.781 0.020 . 1 . . . A 47 VAL H . 18112 1 218 . 1 1 47 47 VAL HA H 1 4.058 0.020 . 1 . . . A 47 VAL HA . 18112 1 219 . 1 1 47 47 VAL HB H 1 1.962 0.020 . 1 . . . A 47 VAL HB . 18112 1 220 . 1 1 47 47 VAL HG11 H 1 0.148 0.020 . 1 . . . A 47 VAL HG11 . 18112 1 221 . 1 1 47 47 VAL HG12 H 1 0.148 0.020 . 1 . . . A 47 VAL HG12 . 18112 1 222 . 1 1 47 47 VAL HG13 H 1 0.148 0.020 . 1 . . . A 47 VAL HG13 . 18112 1 223 . 1 1 47 47 VAL HG21 H 1 0.470 0.020 . 1 . . . A 47 VAL HG21 . 18112 1 224 . 1 1 47 47 VAL HG22 H 1 0.470 0.020 . 1 . . . A 47 VAL HG22 . 18112 1 225 . 1 1 47 47 VAL HG23 H 1 0.470 0.020 . 1 . . . A 47 VAL HG23 . 18112 1 226 . 1 1 47 47 VAL C C 13 174.676 0.400 . 1 . . . A 47 VAL C . 18112 1 227 . 1 1 47 47 VAL CA C 13 61.006 0.400 . 1 . . . A 47 VAL CA . 18112 1 228 . 1 1 47 47 VAL CB C 13 32.110 0.400 . 1 . . . A 47 VAL CB . 18112 1 229 . 1 1 47 47 VAL CG1 C 13 21.275 0.400 . 1 . . . A 47 VAL CG1 . 18112 1 230 . 1 1 47 47 VAL CG2 C 13 21.473 0.400 . 1 . . . A 47 VAL CG2 . 18112 1 231 . 1 1 47 47 VAL N N 15 121.496 0.400 . 1 . . . A 47 VAL N . 18112 1 232 . 1 1 48 48 LYS H H 1 8.245 0.020 . 1 . . . A 48 LYS H . 18112 1 233 . 1 1 48 48 LYS HA H 1 4.402 0.020 . 1 . . . A 48 LYS HA . 18112 1 234 . 1 1 48 48 LYS HB2 H 1 1.759 0.020 . 2 . . . A 48 LYS HB2 . 18112 1 235 . 1 1 48 48 LYS HB3 H 1 1.671 0.020 . 2 . . . A 48 LYS HB3 . 18112 1 236 . 1 1 48 48 LYS C C 13 175.564 0.400 . 1 . . . A 48 LYS C . 18112 1 237 . 1 1 48 48 LYS CA C 13 54.874 0.400 . 1 . . . A 48 LYS CA . 18112 1 238 . 1 1 48 48 LYS CB C 13 30.189 0.400 . 1 . . . A 48 LYS CB . 18112 1 239 . 1 1 48 48 LYS N N 15 126.100 0.400 . 1 . . . A 48 LYS N . 18112 1 240 . 1 1 49 49 PHE H H 1 8.626 0.020 . 1 . . . A 49 PHE H . 18112 1 241 . 1 1 49 49 PHE HA H 1 3.813 0.020 . 1 . . . A 49 PHE HA . 18112 1 242 . 1 1 49 49 PHE HB2 H 1 3.023 0.020 . 2 . . . A 49 PHE HB2 . 18112 1 243 . 1 1 49 49 PHE HB3 H 1 2.867 0.020 . 2 . . . A 49 PHE HB3 . 18112 1 244 . 1 1 49 49 PHE HD1 H 1 7.367 0.020 . 1 . . . A 49 PHE HD1 . 18112 1 245 . 1 1 49 49 PHE HD2 H 1 7.367 0.020 . 1 . . . A 49 PHE HD2 . 18112 1 246 . 1 1 49 49 PHE HE1 H 1 7.281 0.020 . 1 . . . A 49 PHE HE1 . 18112 1 247 . 1 1 49 49 PHE HE2 H 1 7.281 0.020 . 1 . . . A 49 PHE HE2 . 18112 1 248 . 1 1 49 49 PHE HZ H 1 6.858 0.020 . 1 . . . A 49 PHE HZ . 18112 1 249 . 1 1 49 49 PHE C C 13 175.708 0.400 . 1 . . . A 49 PHE C . 18112 1 250 . 1 1 49 49 PHE CA C 13 60.861 0.400 . 1 . . . A 49 PHE CA . 18112 1 251 . 1 1 49 49 PHE CB C 13 38.616 0.400 . 1 . . . A 49 PHE CB . 18112 1 252 . 1 1 49 49 PHE CD1 C 13 131.698 0.400 . 1 . . . A 49 PHE CD1 . 18112 1 253 . 1 1 49 49 PHE CD2 C 13 131.698 0.400 . 1 . . . A 49 PHE CD2 . 18112 1 254 . 1 1 49 49 PHE CE1 C 13 131.407 0.400 . 1 . . . A 49 PHE CE1 . 18112 1 255 . 1 1 49 49 PHE CE2 C 13 131.407 0.400 . 1 . . . A 49 PHE CE2 . 18112 1 256 . 1 1 49 49 PHE CZ C 13 129.307 0.400 . 1 . . . A 49 PHE CZ . 18112 1 257 . 1 1 49 49 PHE N N 15 125.341 0.400 . 1 . . . A 49 PHE N . 18112 1 258 . 1 1 50 50 ASN H H 1 7.030 0.020 . 1 . . . A 50 ASN H . 18112 1 259 . 1 1 50 50 ASN C C 13 176.072 0.400 . 1 . . . A 50 ASN C . 18112 1 260 . 1 1 50 50 ASN CA C 13 51.730 0.400 . 1 . . . A 50 ASN CA . 18112 1 261 . 1 1 50 50 ASN N N 15 115.408 0.400 . 1 . . . A 50 ASN N . 18112 1 262 . 1 1 51 51 ARG H H 1 7.790 0.020 . 1 . . . A 51 ARG H . 18112 1 263 . 1 1 51 51 ARG CA C 13 59.534 0.400 . 1 . . . A 51 ARG CA . 18112 1 264 . 1 1 51 51 ARG N N 15 122.706 0.400 . 1 . . . A 51 ARG N . 18112 1 265 . 1 1 52 52 CYS H H 1 7.681 0.020 . 1 . . . A 52 CYS H . 18112 1 266 . 1 1 52 52 CYS HA H 1 4.108 0.020 . 1 . . . A 52 CYS HA . 18112 1 267 . 1 1 52 52 CYS HB2 H 1 2.957 0.020 . 1 . . . A 52 CYS HB2 . 18112 1 268 . 1 1 52 52 CYS HB3 H 1 2.957 0.020 . 1 . . . A 52 CYS HB3 . 18112 1 269 . 1 1 52 52 CYS C C 13 178.200 0.400 . 1 . . . A 52 CYS C . 18112 1 270 . 1 1 52 52 CYS CA C 13 61.143 0.400 . 1 . . . A 52 CYS CA . 18112 1 271 . 1 1 52 52 CYS N N 15 117.340 0.400 . 1 . . . A 52 CYS N . 18112 1 272 . 1 1 53 53 ILE H H 1 8.035 0.020 . 1 . . . A 53 ILE H . 18112 1 273 . 1 1 53 53 ILE HA H 1 3.588 0.020 . 1 . . . A 53 ILE HA . 18112 1 274 . 1 1 53 53 ILE HB H 1 1.621 0.020 . 1 . . . A 53 ILE HB . 18112 1 275 . 1 1 53 53 ILE HG12 H 1 1.564 0.020 . 2 . . . A 53 ILE HG12 . 18112 1 276 . 1 1 53 53 ILE HG13 H 1 1.131 0.020 . 2 . . . A 53 ILE HG13 . 18112 1 277 . 1 1 53 53 ILE HG21 H 1 0.356 0.020 . 1 . . . A 53 ILE HG21 . 18112 1 278 . 1 1 53 53 ILE HG22 H 1 0.356 0.020 . 1 . . . A 53 ILE HG22 . 18112 1 279 . 1 1 53 53 ILE HG23 H 1 0.356 0.020 . 1 . . . A 53 ILE HG23 . 18112 1 280 . 1 1 53 53 ILE HD11 H 1 0.382 0.020 . 1 . . . A 53 ILE HD11 . 18112 1 281 . 1 1 53 53 ILE HD12 H 1 0.382 0.020 . 1 . . . A 53 ILE HD12 . 18112 1 282 . 1 1 53 53 ILE HD13 H 1 0.382 0.020 . 1 . . . A 53 ILE HD13 . 18112 1 283 . 1 1 53 53 ILE C C 13 177.492 0.400 . 1 . . . A 53 ILE C . 18112 1 284 . 1 1 53 53 ILE CA C 13 64.109 0.400 . 1 . . . A 53 ILE CA . 18112 1 285 . 1 1 53 53 ILE CB C 13 37.603 0.400 . 1 . . . A 53 ILE CB . 18112 1 286 . 1 1 53 53 ILE CG1 C 13 28.320 0.400 . 1 . . . A 53 ILE CG1 . 18112 1 287 . 1 1 53 53 ILE CG2 C 13 16.879 0.400 . 1 . . . A 53 ILE CG2 . 18112 1 288 . 1 1 53 53 ILE CD1 C 13 11.583 0.400 . 1 . . . A 53 ILE CD1 . 18112 1 289 . 1 1 53 53 ILE N N 15 122.321 0.400 . 1 . . . A 53 ILE N . 18112 1 290 . 1 1 54 54 THR HG21 H 1 1.123 0.020 . 1 . . . A 54 THR HG21 . 18112 1 291 . 1 1 54 54 THR HG22 H 1 1.123 0.020 . 1 . . . A 54 THR HG22 . 18112 1 292 . 1 1 54 54 THR HG23 H 1 1.123 0.020 . 1 . . . A 54 THR HG23 . 18112 1 293 . 1 1 54 54 THR C C 13 175.903 0.400 . 1 . . . A 54 THR C . 18112 1 294 . 1 1 54 54 THR CA C 13 67.308 0.400 . 1 . . . A 54 THR CA . 18112 1 295 . 1 1 54 54 THR CG2 C 13 22.181 0.400 . 1 . . . A 54 THR CG2 . 18112 1 296 . 1 1 55 55 SER H H 1 7.844 0.020 . 1 . . . A 55 SER H . 18112 1 297 . 1 1 55 55 SER N N 15 113.819 0.400 . 1 . . . A 55 SER N . 18112 1 298 . 1 1 56 56 GLN C C 13 179.792 0.400 . 1 . . . A 56 GLN C . 18112 1 299 . 1 1 57 57 LEU H H 1 8.267 0.020 . 1 . . . A 57 LEU H . 18112 1 300 . 1 1 57 57 LEU HA H 1 4.519 0.020 . 1 . . . A 57 LEU HA . 18112 1 301 . 1 1 57 57 LEU HB2 H 1 2.587 0.020 . 1 . . . A 57 LEU HB2 . 18112 1 302 . 1 1 57 57 LEU HB3 H 1 2.587 0.020 . 1 . . . A 57 LEU HB3 . 18112 1 303 . 1 1 57 57 LEU HG H 1 1.236 0.020 . 1 . . . A 57 LEU HG . 18112 1 304 . 1 1 57 57 LEU HD11 H 1 0.396 0.020 . 1 . . . A 57 LEU HD11 . 18112 1 305 . 1 1 57 57 LEU HD12 H 1 0.396 0.020 . 1 . . . A 57 LEU HD12 . 18112 1 306 . 1 1 57 57 LEU HD13 H 1 0.396 0.020 . 1 . . . A 57 LEU HD13 . 18112 1 307 . 1 1 57 57 LEU HD21 H 1 0.286 0.020 . 1 . . . A 57 LEU HD21 . 18112 1 308 . 1 1 57 57 LEU HD22 H 1 0.286 0.020 . 1 . . . A 57 LEU HD22 . 18112 1 309 . 1 1 57 57 LEU HD23 H 1 0.286 0.020 . 1 . . . A 57 LEU HD23 . 18112 1 310 . 1 1 57 57 LEU C C 13 178.775 0.400 . 1 . . . A 57 LEU C . 18112 1 311 . 1 1 57 57 LEU CA C 13 55.232 0.400 . 1 . . . A 57 LEU CA . 18112 1 312 . 1 1 57 57 LEU CB C 13 37.131 0.400 . 1 . . . A 57 LEU CB . 18112 1 313 . 1 1 57 57 LEU CD1 C 13 25.963 0.400 . 1 . . . A 57 LEU CD1 . 18112 1 314 . 1 1 57 57 LEU CD2 C 13 24.855 0.400 . 1 . . . A 57 LEU CD2 . 18112 1 315 . 1 1 57 57 LEU N N 15 116.701 0.400 . 1 . . . A 57 LEU N . 18112 1 316 . 1 1 58 58 ILE H H 1 8.111 0.020 . 1 . . . A 58 ILE H . 18112 1 317 . 1 1 58 58 ILE HA H 1 4.640 0.020 . 1 . . . A 58 ILE HA . 18112 1 318 . 1 1 58 58 ILE HB H 1 1.908 0.020 . 1 . . . A 58 ILE HB . 18112 1 319 . 1 1 58 58 ILE HG12 H 1 1.191 0.020 . 2 . . . A 58 ILE HG12 . 18112 1 320 . 1 1 58 58 ILE HG13 H 1 1.572 0.020 . 2 . . . A 58 ILE HG13 . 18112 1 321 . 1 1 58 58 ILE HG21 H 1 0.883 0.020 . 1 . . . A 58 ILE HG21 . 18112 1 322 . 1 1 58 58 ILE HG22 H 1 0.883 0.020 . 1 . . . A 58 ILE HG22 . 18112 1 323 . 1 1 58 58 ILE HG23 H 1 0.883 0.020 . 1 . . . A 58 ILE HG23 . 18112 1 324 . 1 1 58 58 ILE HD11 H 1 0.706 0.020 . 1 . . . A 58 ILE HD11 . 18112 1 325 . 1 1 58 58 ILE HD12 H 1 0.706 0.020 . 1 . . . A 58 ILE HD12 . 18112 1 326 . 1 1 58 58 ILE HD13 H 1 0.706 0.020 . 1 . . . A 58 ILE HD13 . 18112 1 327 . 1 1 58 58 ILE C C 13 177.380 0.400 . 1 . . . A 58 ILE C . 18112 1 328 . 1 1 58 58 ILE CA C 13 62.163 0.400 . 1 . . . A 58 ILE CA . 18112 1 329 . 1 1 58 58 ILE CB C 13 30.657 0.400 . 1 . . . A 58 ILE CB . 18112 1 330 . 1 1 58 58 ILE CG2 C 13 16.976 0.400 . 1 . . . A 58 ILE CG2 . 18112 1 331 . 1 1 58 58 ILE CD1 C 13 12.423 0.400 . 1 . . . A 58 ILE CD1 . 18112 1 332 . 1 1 58 58 ILE N N 15 122.522 0.400 . 1 . . . A 58 ILE N . 18112 1 333 . 1 1 59 59 LYS H H 1 7.432 0.020 . 1 . . . A 59 LYS H . 18112 1 334 . 1 1 59 59 LYS C C 13 177.600 0.400 . 1 . . . A 59 LYS C . 18112 1 335 . 1 1 59 59 LYS CA C 13 57.570 0.400 . 1 . . . A 59 LYS CA . 18112 1 336 . 1 1 59 59 LYS CB C 13 39.101 0.400 . 1 . . . A 59 LYS CB . 18112 1 337 . 1 1 59 59 LYS N N 15 121.002 0.400 . 1 . . . A 59 LYS N . 18112 1 338 . 1 1 60 60 TRP H H 1 7.565 0.020 . 1 . . . A 60 TRP H . 18112 1 339 . 1 1 60 60 TRP HA H 1 3.739 0.020 . 1 . . . A 60 TRP HA . 18112 1 340 . 1 1 60 60 TRP HD1 H 1 6.768 0.020 . 1 . . . A 60 TRP HD1 . 18112 1 341 . 1 1 60 60 TRP HE1 H 1 9.992 0.020 . 1 . . . A 60 TRP HE1 . 18112 1 342 . 1 1 60 60 TRP HE3 H 1 6.539 0.020 . 1 . . . A 60 TRP HE3 . 18112 1 343 . 1 1 60 60 TRP HZ2 H 1 7.333 0.020 . 1 . . . A 60 TRP HZ2 . 18112 1 344 . 1 1 60 60 TRP HH2 H 1 7.015 0.020 . 1 . . . A 60 TRP HH2 . 18112 1 345 . 1 1 60 60 TRP C C 13 178.246 0.400 . 1 . . . A 60 TRP C . 18112 1 346 . 1 1 60 60 TRP CA C 13 59.818 0.400 . 1 . . . A 60 TRP CA . 18112 1 347 . 1 1 60 60 TRP CB C 13 31.851 0.400 . 1 . . . A 60 TRP CB . 18112 1 348 . 1 1 60 60 TRP CD1 C 13 123.216 0.400 . 1 . . . A 60 TRP CD1 . 18112 1 349 . 1 1 60 60 TRP CE3 C 13 128.400 0.400 . 1 . . . A 60 TRP CE3 . 18112 1 350 . 1 1 60 60 TRP CZ2 C 13 114.405 0.400 . 1 . . . A 60 TRP CZ2 . 18112 1 351 . 1 1 60 60 TRP CH2 C 13 124.955 0.400 . 1 . . . A 60 TRP CH2 . 18112 1 352 . 1 1 60 60 TRP N N 15 118.679 0.400 . 1 . . . A 60 TRP N . 18112 1 353 . 1 1 60 60 TRP NE1 N 15 126.079 0.400 . 1 . . . A 60 TRP NE1 . 18112 1 354 . 1 1 61 61 PHE H H 1 7.819 0.020 . 1 . . . A 61 PHE H . 18112 1 355 . 1 1 61 61 PHE HA H 1 3.882 0.020 . 1 . . . A 61 PHE HA . 18112 1 356 . 1 1 61 61 PHE CA C 13 60.054 0.400 . 1 . . . A 61 PHE CA . 18112 1 357 . 1 1 61 61 PHE N N 15 118.005 0.400 . 1 . . . A 61 PHE N . 18112 1 358 . 1 1 62 62 SER H H 1 8.878 0.020 . 1 . . . A 62 SER H . 18112 1 359 . 1 1 62 62 SER C C 13 177.840 0.400 . 1 . . . A 62 SER C . 18112 1 360 . 1 1 62 62 SER CA C 13 55.892 0.400 . 1 . . . A 62 SER CA . 18112 1 361 . 1 1 62 62 SER N N 15 121.144 0.400 . 1 . . . A 62 SER N . 18112 1 362 . 1 1 63 63 ASN H H 1 8.001 0.020 . 1 . . . A 63 ASN H . 18112 1 363 . 1 1 63 63 ASN C C 13 177.222 0.400 . 1 . . . A 63 ASN C . 18112 1 364 . 1 1 63 63 ASN CA C 13 60.467 0.400 . 1 . . . A 63 ASN CA . 18112 1 365 . 1 1 63 63 ASN N N 15 115.303 0.400 . 1 . . . A 63 ASN N . 18112 1 366 . 1 1 64 64 PHE H H 1 7.082 0.020 . 1 . . . A 64 PHE H . 18112 1 367 . 1 1 64 64 PHE CA C 13 56.453 0.400 . 1 . . . A 64 PHE CA . 18112 1 368 . 1 1 64 64 PHE N N 15 112.571 0.400 . 1 . . . A 64 PHE N . 18112 1 369 . 1 1 65 65 ARG H H 1 8.091 0.020 . 1 . . . A 65 ARG H . 18112 1 370 . 1 1 65 65 ARG CA C 13 59.590 0.400 . 1 . . . A 65 ARG CA . 18112 1 371 . 1 1 65 65 ARG N N 15 116.695 0.400 . 1 . . . A 65 ARG N . 18112 1 372 . 1 1 66 66 GLU H H 1 7.597 0.020 . 1 . . . A 66 GLU H . 18112 1 373 . 1 1 66 66 GLU HA H 1 4.739 0.020 . 1 . . . A 66 GLU HA . 18112 1 374 . 1 1 66 66 GLU C C 13 174.621 0.400 . 1 . . . A 66 GLU C . 18112 1 375 . 1 1 66 66 GLU CA C 13 59.583 0.400 . 1 . . . A 66 GLU CA . 18112 1 376 . 1 1 66 66 GLU N N 15 121.653 0.400 . 1 . . . A 66 GLU N . 18112 1 377 . 1 1 67 67 PHE H H 1 7.067 0.020 . 1 . . . A 67 PHE H . 18112 1 378 . 1 1 67 67 PHE HD1 H 1 6.978 0.020 . 1 . . . A 67 PHE HD1 . 18112 1 379 . 1 1 67 67 PHE HD2 H 1 6.978 0.020 . 1 . . . A 67 PHE HD2 . 18112 1 380 . 1 1 67 67 PHE C C 13 176.164 0.400 . 1 . . . A 67 PHE C . 18112 1 381 . 1 1 67 67 PHE CA C 13 61.156 0.400 . 1 . . . A 67 PHE CA . 18112 1 382 . 1 1 67 67 PHE CD1 C 13 132.276 0.400 . 1 . . . A 67 PHE CD1 . 18112 1 383 . 1 1 67 67 PHE CD2 C 13 132.276 0.400 . 1 . . . A 67 PHE CD2 . 18112 1 384 . 1 1 67 67 PHE N N 15 111.578 0.400 . 1 . . . A 67 PHE N . 18112 1 385 . 1 1 68 68 TYR H H 1 7.442 0.020 . 1 . . . A 68 TYR H . 18112 1 386 . 1 1 68 68 TYR C C 13 176.844 0.400 . 1 . . . A 68 TYR C . 18112 1 387 . 1 1 68 68 TYR CA C 13 61.758 0.400 . 1 . . . A 68 TYR CA . 18112 1 388 . 1 1 68 68 TYR N N 15 119.370 0.400 . 1 . . . A 68 TYR N . 18112 1 389 . 1 1 69 69 TYR H H 1 9.127 0.020 . 1 . . . A 69 TYR H . 18112 1 390 . 1 1 69 69 TYR HA H 1 4.086 0.020 . 1 . . . A 69 TYR HA . 18112 1 391 . 1 1 69 69 TYR C C 13 180.328 0.400 . 1 . . . A 69 TYR C . 18112 1 392 . 1 1 69 69 TYR CA C 13 61.528 0.400 . 1 . . . A 69 TYR CA . 18112 1 393 . 1 1 69 69 TYR N N 15 116.047 0.400 . 1 . . . A 69 TYR N . 18112 1 394 . 1 1 70 70 ILE H H 1 8.631 0.020 . 1 . . . A 70 ILE H . 18112 1 395 . 1 1 70 70 ILE HA H 1 3.828 0.020 . 1 . . . A 70 ILE HA . 18112 1 396 . 1 1 70 70 ILE HG21 H 1 0.730 0.020 . 1 . . . A 70 ILE HG21 . 18112 1 397 . 1 1 70 70 ILE HG22 H 1 0.730 0.020 . 1 . . . A 70 ILE HG22 . 18112 1 398 . 1 1 70 70 ILE HG23 H 1 0.730 0.020 . 1 . . . A 70 ILE HG23 . 18112 1 399 . 1 1 70 70 ILE HD11 H 1 0.839 0.020 . 1 . . . A 70 ILE HD11 . 18112 1 400 . 1 1 70 70 ILE HD12 H 1 0.839 0.020 . 1 . . . A 70 ILE HD12 . 18112 1 401 . 1 1 70 70 ILE HD13 H 1 0.839 0.020 . 1 . . . A 70 ILE HD13 . 18112 1 402 . 1 1 70 70 ILE C C 13 179.585 0.400 . 1 . . . A 70 ILE C . 18112 1 403 . 1 1 70 70 ILE CA C 13 65.787 0.400 . 1 . . . A 70 ILE CA . 18112 1 404 . 1 1 70 70 ILE CB C 13 36.435 0.400 . 1 . . . A 70 ILE CB . 18112 1 405 . 1 1 70 70 ILE CG2 C 13 16.960 0.400 . 1 . . . A 70 ILE CG2 . 18112 1 406 . 1 1 70 70 ILE CD1 C 13 13.682 0.400 . 1 . . . A 70 ILE CD1 . 18112 1 407 . 1 1 70 70 ILE N N 15 124.738 0.400 . 1 . . . A 70 ILE N . 18112 1 408 . 1 1 71 71 GLN H H 1 7.738 0.020 . 1 . . . A 71 GLN H . 18112 1 409 . 1 1 71 71 GLN HA H 1 3.826 0.020 . 1 . . . A 71 GLN HA . 18112 1 410 . 1 1 71 71 GLN C C 13 178.192 0.400 . 1 . . . A 71 GLN C . 18112 1 411 . 1 1 71 71 GLN CA C 13 57.779 0.400 . 1 . . . A 71 GLN CA . 18112 1 412 . 1 1 71 71 GLN N N 15 117.940 0.400 . 1 . . . A 71 GLN N . 18112 1 413 . 1 1 72 72 MET H H 1 7.844 0.020 . 1 . . . A 72 MET H . 18112 1 414 . 1 1 72 72 MET HA H 1 4.112 0.020 . 1 . . . A 72 MET HA . 18112 1 415 . 1 1 72 72 MET HE1 H 1 1.641 0.020 . 1 . . . A 72 MET HE1 . 18112 1 416 . 1 1 72 72 MET HE2 H 1 1.641 0.020 . 1 . . . A 72 MET HE2 . 18112 1 417 . 1 1 72 72 MET HE3 H 1 1.641 0.020 . 1 . . . A 72 MET HE3 . 18112 1 418 . 1 1 72 72 MET C C 13 177.203 0.400 . 1 . . . A 72 MET C . 18112 1 419 . 1 1 72 72 MET CA C 13 57.272 0.400 . 1 . . . A 72 MET CA . 18112 1 420 . 1 1 72 72 MET CE C 13 19.470 0.400 . 1 . . . A 72 MET CE . 18112 1 421 . 1 1 72 72 MET N N 15 117.353 0.400 . 1 . . . A 72 MET N . 18112 1 422 . 1 1 73 73 GLU H H 1 7.503 0.020 . 1 . . . A 73 GLU H . 18112 1 423 . 1 1 73 73 GLU HA H 1 3.572 0.020 . 1 . . . A 73 GLU HA . 18112 1 424 . 1 1 73 73 GLU C C 13 177.344 0.400 . 1 . . . A 73 GLU C . 18112 1 425 . 1 1 73 73 GLU CA C 13 60.324 0.400 . 1 . . . A 73 GLU CA . 18112 1 426 . 1 1 73 73 GLU N N 15 117.858 0.400 . 1 . . . A 73 GLU N . 18112 1 427 . 1 1 74 74 LYS H H 1 7.912 0.020 . 1 . . . A 74 LYS H . 18112 1 428 . 1 1 74 74 LYS HA H 1 3.867 0.020 . 1 . . . A 74 LYS HA . 18112 1 429 . 1 1 74 74 LYS HB2 H 1 1.824 0.020 . 1 . . . A 74 LYS HB2 . 18112 1 430 . 1 1 74 74 LYS C C 13 180.077 0.400 . 1 . . . A 74 LYS C . 18112 1 431 . 1 1 74 74 LYS CA C 13 59.754 0.400 . 1 . . . A 74 LYS CA . 18112 1 432 . 1 1 74 74 LYS N N 15 118.716 0.400 . 1 . . . A 74 LYS N . 18112 1 433 . 1 1 75 75 TYR H H 1 8.421 0.020 . 1 . . . A 75 TYR H . 18112 1 434 . 1 1 75 75 TYR HA H 1 4.085 0.020 . 1 . . . A 75 TYR HA . 18112 1 435 . 1 1 75 75 TYR HB2 H 1 2.873 0.020 . 1 . . . A 75 TYR HB2 . 18112 1 436 . 1 1 75 75 TYR HD1 H 1 7.532 0.020 . 1 . . . A 75 TYR HD1 . 18112 1 437 . 1 1 75 75 TYR HD2 H 1 7.532 0.020 . 1 . . . A 75 TYR HD2 . 18112 1 438 . 1 1 75 75 TYR HE1 H 1 6.927 0.020 . 1 . . . A 75 TYR HE1 . 18112 1 439 . 1 1 75 75 TYR HE2 H 1 6.927 0.020 . 1 . . . A 75 TYR HE2 . 18112 1 440 . 1 1 75 75 TYR C C 13 178.874 0.400 . 1 . . . A 75 TYR C . 18112 1 441 . 1 1 75 75 TYR CA C 13 63.306 0.400 . 1 . . . A 75 TYR CA . 18112 1 442 . 1 1 75 75 TYR CD1 C 13 133.976 0.400 . 1 . . . A 75 TYR CD1 . 18112 1 443 . 1 1 75 75 TYR CD2 C 13 133.976 0.400 . 1 . . . A 75 TYR CD2 . 18112 1 444 . 1 1 75 75 TYR CE1 C 13 117.724 0.400 . 1 . . . A 75 TYR CE1 . 18112 1 445 . 1 1 75 75 TYR CE2 C 13 117.724 0.400 . 1 . . . A 75 TYR CE2 . 18112 1 446 . 1 1 75 75 TYR N N 15 117.309 0.400 . 1 . . . A 75 TYR N . 18112 1 447 . 1 1 76 76 ALA H H 1 8.553 0.020 . 1 . . . A 76 ALA H . 18112 1 448 . 1 1 76 76 ALA HA H 1 4.221 0.020 . 1 . . . A 76 ALA HA . 18112 1 449 . 1 1 76 76 ALA HB1 H 1 1.666 0.020 . 1 . . . A 76 ALA HB1 . 18112 1 450 . 1 1 76 76 ALA HB2 H 1 1.666 0.020 . 1 . . . A 76 ALA HB2 . 18112 1 451 . 1 1 76 76 ALA HB3 H 1 1.666 0.020 . 1 . . . A 76 ALA HB3 . 18112 1 452 . 1 1 76 76 ALA C C 13 178.850 0.400 . 1 . . . A 76 ALA C . 18112 1 453 . 1 1 76 76 ALA CA C 13 56.280 0.400 . 1 . . . A 76 ALA CA . 18112 1 454 . 1 1 76 76 ALA CB C 13 18.687 0.400 . 1 . . . A 76 ALA CB . 18112 1 455 . 1 1 76 76 ALA N N 15 125.392 0.400 . 1 . . . A 76 ALA N . 18112 1 456 . 1 1 77 77 ARG H H 1 8.471 0.020 . 1 . . . A 77 ARG H . 18112 1 457 . 1 1 77 77 ARG HA H 1 3.935 0.020 . 1 . . . A 77 ARG HA . 18112 1 458 . 1 1 77 77 ARG HB2 H 1 1.892 0.020 . 1 . . . A 77 ARG HB2 . 18112 1 459 . 1 1 77 77 ARG HB3 H 1 1.892 0.020 . 1 . . . A 77 ARG HB3 . 18112 1 460 . 1 1 77 77 ARG C C 13 179.341 0.400 . 1 . . . A 77 ARG C . 18112 1 461 . 1 1 77 77 ARG CA C 13 60.499 0.400 . 1 . . . A 77 ARG CA . 18112 1 462 . 1 1 77 77 ARG N N 15 115.067 0.400 . 1 . . . A 77 ARG N . 18112 1 463 . 1 1 78 78 GLN H H 1 8.142 0.020 . 1 . . . A 78 GLN H . 18112 1 464 . 1 1 78 78 GLN HA H 1 3.921 0.020 . 1 . . . A 78 GLN HA . 18112 1 465 . 1 1 78 78 GLN HB2 H 1 2.055 0.020 . 1 . . . A 78 GLN HB2 . 18112 1 466 . 1 1 78 78 GLN C C 13 177.289 0.400 . 1 . . . A 78 GLN C . 18112 1 467 . 1 1 78 78 GLN CA C 13 58.619 0.400 . 1 . . . A 78 GLN CA . 18112 1 468 . 1 1 78 78 GLN CB C 13 27.752 0.400 . 1 . . . A 78 GLN CB . 18112 1 469 . 1 1 78 78 GLN N N 15 120.107 0.400 . 1 . . . A 78 GLN N . 18112 1 470 . 1 1 79 79 ALA H H 1 7.811 0.020 . 1 . . . A 79 ALA H . 18112 1 471 . 1 1 79 79 ALA HA H 1 4.308 0.020 . 1 . . . A 79 ALA HA . 18112 1 472 . 1 1 79 79 ALA HB1 H 1 1.589 0.020 . 1 . . . A 79 ALA HB1 . 18112 1 473 . 1 1 79 79 ALA HB2 H 1 1.589 0.020 . 1 . . . A 79 ALA HB2 . 18112 1 474 . 1 1 79 79 ALA HB3 H 1 1.589 0.020 . 1 . . . A 79 ALA HB3 . 18112 1 475 . 1 1 79 79 ALA C C 13 179.924 0.400 . 1 . . . A 79 ALA C . 18112 1 476 . 1 1 79 79 ALA CA C 13 54.970 0.400 . 1 . . . A 79 ALA CA . 18112 1 477 . 1 1 79 79 ALA CB C 13 17.064 0.400 . 1 . . . A 79 ALA CB . 18112 1 478 . 1 1 79 79 ALA N N 15 120.809 0.400 . 1 . . . A 79 ALA N . 18112 1 479 . 1 1 80 80 ILE H H 1 7.837 0.020 . 1 . . . A 80 ILE H . 18112 1 480 . 1 1 80 80 ILE HA H 1 3.894 0.020 . 1 . . . A 80 ILE HA . 18112 1 481 . 1 1 80 80 ILE HG21 H 1 0.822 0.020 . 1 . . . A 80 ILE HG21 . 18112 1 482 . 1 1 80 80 ILE HG22 H 1 0.822 0.020 . 1 . . . A 80 ILE HG22 . 18112 1 483 . 1 1 80 80 ILE HG23 H 1 0.822 0.020 . 1 . . . A 80 ILE HG23 . 18112 1 484 . 1 1 80 80 ILE HD11 H 1 0.537 0.020 . 1 . . . A 80 ILE HD11 . 18112 1 485 . 1 1 80 80 ILE HD12 H 1 0.537 0.020 . 1 . . . A 80 ILE HD12 . 18112 1 486 . 1 1 80 80 ILE HD13 H 1 0.537 0.020 . 1 . . . A 80 ILE HD13 . 18112 1 487 . 1 1 80 80 ILE C C 13 181.268 0.400 . 1 . . . A 80 ILE C . 18112 1 488 . 1 1 80 80 ILE CA C 13 64.841 0.400 . 1 . . . A 80 ILE CA . 18112 1 489 . 1 1 80 80 ILE CB C 13 37.125 0.400 . 1 . . . A 80 ILE CB . 18112 1 490 . 1 1 80 80 ILE CG2 C 13 16.410 0.400 . 1 . . . A 80 ILE CG2 . 18112 1 491 . 1 1 80 80 ILE CD1 C 13 13.996 0.400 . 1 . . . A 80 ILE CD1 . 18112 1 492 . 1 1 80 80 ILE N N 15 118.524 0.400 . 1 . . . A 80 ILE N . 18112 1 493 . 1 1 81 81 ASN H H 1 8.262 0.020 . 1 . . . A 81 ASN H . 18112 1 494 . 1 1 81 81 ASN HA H 1 4.398 0.020 . 1 . . . A 81 ASN HA . 18112 1 495 . 1 1 81 81 ASN HB2 H 1 2.883 0.020 . 1 . . . A 81 ASN HB2 . 18112 1 496 . 1 1 81 81 ASN HB3 H 1 2.883 0.020 . 1 . . . A 81 ASN HB3 . 18112 1 497 . 1 1 81 81 ASN C C 13 176.546 0.400 . 1 . . . A 81 ASN C . 18112 1 498 . 1 1 81 81 ASN CA C 13 55.892 0.400 . 1 . . . A 81 ASN CA . 18112 1 499 . 1 1 81 81 ASN CB C 13 37.603 0.400 . 1 . . . A 81 ASN CB . 18112 1 500 . 1 1 81 81 ASN N N 15 121.233 0.400 . 1 . . . A 81 ASN N . 18112 1 501 . 1 1 82 82 ASP H H 1 8.316 0.020 . 1 . . . A 82 ASP H . 18112 1 502 . 1 1 82 82 ASP HA H 1 4.666 0.020 . 1 . . . A 82 ASP HA . 18112 1 503 . 1 1 82 82 ASP HB2 H 1 2.907 0.020 . 1 . . . A 82 ASP HB2 . 18112 1 504 . 1 1 82 82 ASP HB3 H 1 2.907 0.020 . 1 . . . A 82 ASP HB3 . 18112 1 505 . 1 1 82 82 ASP C C 13 176.767 0.400 . 1 . . . A 82 ASP C . 18112 1 506 . 1 1 82 82 ASP CA C 13 54.771 0.400 . 1 . . . A 82 ASP CA . 18112 1 507 . 1 1 82 82 ASP CB C 13 40.121 0.400 . 1 . . . A 82 ASP CB . 18112 1 508 . 1 1 82 82 ASP N N 15 119.240 0.400 . 1 . . . A 82 ASP N . 18112 1 509 . 1 1 83 83 GLY H H 1 7.810 0.020 . 1 . . . A 83 GLY H . 18112 1 510 . 1 1 83 83 GLY HA2 H 1 4.284 0.020 . 2 . . . A 83 GLY HA2 . 18112 1 511 . 1 1 83 83 GLY HA3 H 1 3.731 0.020 . 2 . . . A 83 GLY HA3 . 18112 1 512 . 1 1 83 83 GLY C C 13 174.601 0.400 . 1 . . . A 83 GLY C . 18112 1 513 . 1 1 83 83 GLY CA C 13 45.214 0.400 . 1 . . . A 83 GLY CA . 18112 1 514 . 1 1 83 83 GLY N N 15 106.913 0.400 . 1 . . . A 83 GLY N . 18112 1 515 . 1 1 84 84 VAL H H 1 8.157 0.020 . 1 . . . A 84 VAL H . 18112 1 516 . 1 1 84 84 VAL HA H 1 3.850 0.020 . 1 . . . A 84 VAL HA . 18112 1 517 . 1 1 84 84 VAL HG11 H 1 0.736 0.020 . 1 . . . A 84 VAL HG11 . 18112 1 518 . 1 1 84 84 VAL HG12 H 1 0.736 0.020 . 1 . . . A 84 VAL HG12 . 18112 1 519 . 1 1 84 84 VAL HG13 H 1 0.736 0.020 . 1 . . . A 84 VAL HG13 . 18112 1 520 . 1 1 84 84 VAL HG21 H 1 0.988 0.020 . 1 . . . A 84 VAL HG21 . 18112 1 521 . 1 1 84 84 VAL HG22 H 1 0.988 0.020 . 1 . . . A 84 VAL HG22 . 18112 1 522 . 1 1 84 84 VAL HG23 H 1 0.988 0.020 . 1 . . . A 84 VAL HG23 . 18112 1 523 . 1 1 84 84 VAL C C 13 177.265 0.400 . 1 . . . A 84 VAL C . 18112 1 524 . 1 1 84 84 VAL CA C 13 64.270 0.400 . 1 . . . A 84 VAL CA . 18112 1 525 . 1 1 84 84 VAL CB C 13 30.471 0.400 . 1 . . . A 84 VAL CB . 18112 1 526 . 1 1 84 84 VAL CG1 C 13 22.397 0.400 . 1 . . . A 84 VAL CG1 . 18112 1 527 . 1 1 84 84 VAL CG2 C 13 22.117 0.400 . 1 . . . A 84 VAL CG2 . 18112 1 528 . 1 1 84 84 VAL N N 15 122.981 0.400 . 1 . . . A 84 VAL N . 18112 1 529 . 1 1 85 85 THR H H 1 8.890 0.020 . 1 . . . A 85 THR H . 18112 1 530 . 1 1 85 85 THR HA H 1 4.716 0.020 . 1 . . . A 85 THR HA . 18112 1 531 . 1 1 85 85 THR HB H 1 4.421 0.020 . 1 . . . A 85 THR HB . 18112 1 532 . 1 1 85 85 THR HG21 H 1 1.164 0.020 . 1 . . . A 85 THR HG21 . 18112 1 533 . 1 1 85 85 THR HG22 H 1 1.164 0.020 . 1 . . . A 85 THR HG22 . 18112 1 534 . 1 1 85 85 THR HG23 H 1 1.164 0.020 . 1 . . . A 85 THR HG23 . 18112 1 535 . 1 1 85 85 THR C C 13 174.489 0.400 . 1 . . . A 85 THR C . 18112 1 536 . 1 1 85 85 THR CA C 13 61.618 0.400 . 1 . . . A 85 THR CA . 18112 1 537 . 1 1 85 85 THR CB C 13 70.081 0.400 . 1 . . . A 85 THR CB . 18112 1 538 . 1 1 85 85 THR CG2 C 13 21.614 0.400 . 1 . . . A 85 THR CG2 . 18112 1 539 . 1 1 85 85 THR N N 15 115.232 0.400 . 1 . . . A 85 THR N . 18112 1 540 . 1 1 86 86 SER H H 1 7.704 0.020 . 1 . . . A 86 SER H . 18112 1 541 . 1 1 86 86 SER HA H 1 5.046 0.020 . 1 . . . A 86 SER HA . 18112 1 542 . 1 1 86 86 SER HB2 H 1 3.886 0.020 . 2 . . . A 86 SER HB2 . 18112 1 543 . 1 1 86 86 SER HB3 H 1 3.790 0.020 . 2 . . . A 86 SER HB3 . 18112 1 544 . 1 1 86 86 SER C C 13 174.473 0.400 . 1 . . . A 86 SER C . 18112 1 545 . 1 1 86 86 SER CA C 13 55.922 0.400 . 1 . . . A 86 SER CA . 18112 1 546 . 1 1 86 86 SER CB C 13 64.385 0.400 . 1 . . . A 86 SER CB . 18112 1 547 . 1 1 86 86 SER N N 15 117.009 0.400 . 1 . . . A 86 SER N . 18112 1 548 . 1 1 87 87 THR H H 1 8.711 0.020 . 1 . . . A 87 THR H . 18112 1 549 . 1 1 87 87 THR HA H 1 4.065 0.020 . 1 . . . A 87 THR HA . 18112 1 550 . 1 1 87 87 THR HB H 1 3.380 0.020 . 1 . . . A 87 THR HB . 18112 1 551 . 1 1 87 87 THR HG21 H 1 1.373 0.020 . 1 . . . A 87 THR HG21 . 18112 1 552 . 1 1 87 87 THR HG22 H 1 1.373 0.020 . 1 . . . A 87 THR HG22 . 18112 1 553 . 1 1 87 87 THR HG23 H 1 1.373 0.020 . 1 . . . A 87 THR HG23 . 18112 1 554 . 1 1 87 87 THR C C 13 176.047 0.400 . 1 . . . A 87 THR C . 18112 1 555 . 1 1 87 87 THR CA C 13 64.983 0.400 . 1 . . . A 87 THR CA . 18112 1 556 . 1 1 87 87 THR CB C 13 68.045 0.400 . 1 . . . A 87 THR CB . 18112 1 557 . 1 1 87 87 THR CG2 C 13 23.406 0.400 . 1 . . . A 87 THR CG2 . 18112 1 558 . 1 1 87 87 THR N N 15 118.634 0.400 . 1 . . . A 87 THR N . 18112 1 559 . 1 1 88 88 GLU H H 1 8.152 0.020 . 1 . . . A 88 GLU H . 18112 1 560 . 1 1 88 88 GLU HA H 1 3.881 0.020 . 1 . . . A 88 GLU HA . 18112 1 561 . 1 1 88 88 GLU HB2 H 1 2.042 0.020 . 2 . . . A 88 GLU HB2 . 18112 1 562 . 1 1 88 88 GLU HB3 H 1 1.838 0.020 . 2 . . . A 88 GLU HB3 . 18112 1 563 . 1 1 88 88 GLU C C 13 177.146 0.400 . 1 . . . A 88 GLU C . 18112 1 564 . 1 1 88 88 GLU CA C 13 57.814 0.400 . 1 . . . A 88 GLU CA . 18112 1 565 . 1 1 88 88 GLU CB C 13 28.050 0.400 . 1 . . . A 88 GLU CB . 18112 1 566 . 1 1 88 88 GLU N N 15 117.889 0.400 . 1 . . . A 88 GLU N . 18112 1 567 . 1 1 89 89 GLU H H 1 7.311 0.020 . 1 . . . A 89 GLU H . 18112 1 568 . 1 1 89 89 GLU HA H 1 4.149 0.020 . 1 . . . A 89 GLU HA . 18112 1 569 . 1 1 89 89 GLU HB2 H 1 2.212 0.020 . 2 . . . A 89 GLU HB2 . 18112 1 570 . 1 1 89 89 GLU HB3 H 1 2.003 0.020 . 2 . . . A 89 GLU HB3 . 18112 1 571 . 1 1 89 89 GLU C C 13 176.192 0.400 . 1 . . . A 89 GLU C . 18112 1 572 . 1 1 89 89 GLU CA C 13 56.133 0.400 . 1 . . . A 89 GLU CA . 18112 1 573 . 1 1 89 89 GLU CB C 13 29.415 0.400 . 1 . . . A 89 GLU CB . 18112 1 574 . 1 1 89 89 GLU N N 15 115.617 0.400 . 1 . . . A 89 GLU N . 18112 1 575 . 1 1 90 90 LEU H H 1 7.311 0.020 . 1 . . . A 90 LEU H . 18112 1 576 . 1 1 90 90 LEU HA H 1 4.439 0.020 . 1 . . . A 90 LEU HA . 18112 1 577 . 1 1 90 90 LEU HB2 H 1 1.674 0.020 . 2 . . . A 90 LEU HB2 . 18112 1 578 . 1 1 90 90 LEU HB3 H 1 1.170 0.020 . 2 . . . A 90 LEU HB3 . 18112 1 579 . 1 1 90 90 LEU HD11 H 1 0.373 0.020 . 1 . . . A 90 LEU HD11 . 18112 1 580 . 1 1 90 90 LEU HD12 H 1 0.373 0.020 . 1 . . . A 90 LEU HD12 . 18112 1 581 . 1 1 90 90 LEU HD13 H 1 0.373 0.020 . 1 . . . A 90 LEU HD13 . 18112 1 582 . 1 1 90 90 LEU HD21 H 1 0.528 0.020 . 1 . . . A 90 LEU HD21 . 18112 1 583 . 1 1 90 90 LEU HD22 H 1 0.528 0.020 . 1 . . . A 90 LEU HD22 . 18112 1 584 . 1 1 90 90 LEU HD23 H 1 0.528 0.020 . 1 . . . A 90 LEU HD23 . 18112 1 585 . 1 1 90 90 LEU C C 13 175.267 0.400 . 1 . . . A 90 LEU C . 18112 1 586 . 1 1 90 90 LEU CA C 13 53.504 0.400 . 1 . . . A 90 LEU CA . 18112 1 587 . 1 1 90 90 LEU CB C 13 40.479 0.400 . 1 . . . A 90 LEU CB . 18112 1 588 . 1 1 90 90 LEU CD1 C 13 25.790 0.400 . 1 . . . A 90 LEU CD1 . 18112 1 589 . 1 1 90 90 LEU CD2 C 13 23.914 0.400 . 1 . . . A 90 LEU CD2 . 18112 1 590 . 1 1 90 90 LEU N N 15 120.870 0.400 . 1 . . . A 90 LEU N . 18112 1 591 . 1 1 91 91 SER H H 1 8.221 0.020 . 1 . . . A 91 SER H . 18112 1 592 . 1 1 91 91 SER HA H 1 4.747 0.020 . 1 . . . A 91 SER HA . 18112 1 593 . 1 1 91 91 SER HB2 H 1 3.622 0.020 . 1 . . . A 91 SER HB2 . 18112 1 594 . 1 1 91 91 SER HB3 H 1 3.622 0.020 . 1 . . . A 91 SER HB3 . 18112 1 595 . 1 1 91 91 SER C C 13 173.332 0.400 . 1 . . . A 91 SER C . 18112 1 596 . 1 1 91 91 SER CA C 13 56.314 0.400 . 1 . . . A 91 SER CA . 18112 1 597 . 1 1 91 91 SER CB C 13 64.615 0.400 . 1 . . . A 91 SER CB . 18112 1 598 . 1 1 91 91 SER N N 15 118.376 0.400 . 1 . . . A 91 SER N . 18112 1 599 . 1 1 92 92 ILE H H 1 8.570 0.020 . 1 . . . A 92 ILE H . 18112 1 600 . 1 1 92 92 ILE HA H 1 4.537 0.020 . 1 . . . A 92 ILE HA . 18112 1 601 . 1 1 92 92 ILE HB H 1 1.826 0.020 . 1 . . . A 92 ILE HB . 18112 1 602 . 1 1 92 92 ILE HG21 H 1 0.765 0.020 . 1 . . . A 92 ILE HG21 . 18112 1 603 . 1 1 92 92 ILE HG22 H 1 0.765 0.020 . 1 . . . A 92 ILE HG22 . 18112 1 604 . 1 1 92 92 ILE HG23 H 1 0.765 0.020 . 1 . . . A 92 ILE HG23 . 18112 1 605 . 1 1 92 92 ILE HD11 H 1 0.661 0.020 . 1 . . . A 92 ILE HD11 . 18112 1 606 . 1 1 92 92 ILE HD12 H 1 0.661 0.020 . 1 . . . A 92 ILE HD12 . 18112 1 607 . 1 1 92 92 ILE HD13 H 1 0.661 0.020 . 1 . . . A 92 ILE HD13 . 18112 1 608 . 1 1 92 92 ILE C C 13 174.059 0.400 . 1 . . . A 92 ILE C . 18112 1 609 . 1 1 92 92 ILE CA C 13 59.881 0.400 . 1 . . . A 92 ILE CA . 18112 1 610 . 1 1 92 92 ILE CB C 13 37.820 0.400 . 1 . . . A 92 ILE CB . 18112 1 611 . 1 1 92 92 ILE CG1 C 13 26.721 0.400 . 1 . . . A 92 ILE CG1 . 18112 1 612 . 1 1 92 92 ILE CG2 C 13 17.342 0.400 . 1 . . . A 92 ILE CG2 . 18112 1 613 . 1 1 92 92 ILE CD1 C 13 12.901 0.400 . 1 . . . A 92 ILE CD1 . 18112 1 614 . 1 1 92 92 ILE N N 15 122.247 0.400 . 1 . . . A 92 ILE N . 18112 1 615 . 1 1 93 93 THR H H 1 7.224 0.020 . 1 . . . A 93 THR H . 18112 1 616 . 1 1 93 93 THR HA H 1 4.580 0.020 . 1 . . . A 93 THR HA . 18112 1 617 . 1 1 93 93 THR HB H 1 4.446 0.020 . 1 . . . A 93 THR HB . 18112 1 618 . 1 1 93 93 THR HG21 H 1 1.113 0.020 . 1 . . . A 93 THR HG21 . 18112 1 619 . 1 1 93 93 THR HG22 H 1 1.113 0.020 . 1 . . . A 93 THR HG22 . 18112 1 620 . 1 1 93 93 THR HG23 H 1 1.113 0.020 . 1 . . . A 93 THR HG23 . 18112 1 621 . 1 1 93 93 THR C C 13 175.049 0.400 . 1 . . . A 93 THR C . 18112 1 622 . 1 1 93 93 THR CA C 13 58.988 0.400 . 1 . . . A 93 THR CA . 18112 1 623 . 1 1 93 93 THR CB C 13 71.362 0.400 . 1 . . . A 93 THR CB . 18112 1 624 . 1 1 93 93 THR CG2 C 13 21.452 0.400 . 1 . . . A 93 THR CG2 . 18112 1 625 . 1 1 93 93 THR N N 15 116.069 0.400 . 1 . . . A 93 THR N . 18112 1 626 . 1 1 94 94 ARG H H 1 8.596 0.020 . 1 . . . A 94 ARG H . 18112 1 627 . 1 1 94 94 ARG HA H 1 3.077 0.020 . 1 . . . A 94 ARG HA . 18112 1 628 . 1 1 94 94 ARG C C 13 175.076 0.400 . 1 . . . A 94 ARG C . 18112 1 629 . 1 1 94 94 ARG CA C 13 57.119 0.400 . 1 . . . A 94 ARG CA . 18112 1 630 . 1 1 94 94 ARG CB C 13 27.838 0.400 . 1 . . . A 94 ARG CB . 18112 1 631 . 1 1 94 94 ARG N N 15 116.595 0.400 . 1 . . . A 94 ARG N . 18112 1 632 . 1 1 95 95 ASP H H 1 7.607 0.020 . 1 . . . A 95 ASP H . 18112 1 633 . 1 1 95 95 ASP HA H 1 4.765 0.020 . 1 . . . A 95 ASP HA . 18112 1 634 . 1 1 95 95 ASP HB2 H 1 2.614 0.020 . 2 . . . A 95 ASP HB2 . 18112 1 635 . 1 1 95 95 ASP HB3 H 1 2.508 0.020 . 2 . . . A 95 ASP HB3 . 18112 1 636 . 1 1 95 95 ASP C C 13 175.876 0.400 . 1 . . . A 95 ASP C . 18112 1 637 . 1 1 95 95 ASP CA C 13 53.156 0.400 . 1 . . . A 95 ASP CA . 18112 1 638 . 1 1 95 95 ASP CB C 13 41.166 0.400 . 1 . . . A 95 ASP CB . 18112 1 639 . 1 1 95 95 ASP N N 15 113.735 0.400 . 1 . . . A 95 ASP N . 18112 1 640 . 1 1 96 96 CYS H H 1 7.094 0.020 . 1 . . . A 96 CYS H . 18112 1 641 . 1 1 96 96 CYS C C 13 174.361 0.400 . 1 . . . A 96 CYS C . 18112 1 642 . 1 1 96 96 CYS CA C 13 56.562 0.400 . 1 . . . A 96 CYS CA . 18112 1 643 . 1 1 96 96 CYS CB C 13 29.416 0.400 . 1 . . . A 96 CYS CB . 18112 1 644 . 1 1 96 96 CYS N N 15 116.012 0.400 . 1 . . . A 96 CYS N . 18112 1 645 . 1 1 97 97 GLU H H 1 9.003 0.020 . 1 . . . A 97 GLU H . 18112 1 646 . 1 1 97 97 GLU C C 13 178.748 0.400 . 1 . . . A 97 GLU C . 18112 1 647 . 1 1 97 97 GLU CA C 13 59.912 0.400 . 1 . . . A 97 GLU CA . 18112 1 648 . 1 1 97 97 GLU CB C 13 29.195 0.400 . 1 . . . A 97 GLU CB . 18112 1 649 . 1 1 97 97 GLU N N 15 123.087 0.400 . 1 . . . A 97 GLU N . 18112 1 650 . 1 1 98 98 LEU H H 1 8.656 0.020 . 1 . . . A 98 LEU H . 18112 1 651 . 1 1 98 98 LEU HA H 1 3.614 0.020 . 1 . . . A 98 LEU HA . 18112 1 652 . 1 1 98 98 LEU HG H 1 1.158 0.020 . 1 . . . A 98 LEU HG . 18112 1 653 . 1 1 98 98 LEU HD11 H 1 0.695 0.020 . 1 . . . A 98 LEU HD11 . 18112 1 654 . 1 1 98 98 LEU HD12 H 1 0.695 0.020 . 1 . . . A 98 LEU HD12 . 18112 1 655 . 1 1 98 98 LEU HD13 H 1 0.695 0.020 . 1 . . . A 98 LEU HD13 . 18112 1 656 . 1 1 98 98 LEU HD21 H 1 0.764 0.020 . 1 . . . A 98 LEU HD21 . 18112 1 657 . 1 1 98 98 LEU HD22 H 1 0.764 0.020 . 1 . . . A 98 LEU HD22 . 18112 1 658 . 1 1 98 98 LEU HD23 H 1 0.764 0.020 . 1 . . . A 98 LEU HD23 . 18112 1 659 . 1 1 98 98 LEU C C 13 177.796 0.400 . 1 . . . A 98 LEU C . 18112 1 660 . 1 1 98 98 LEU CA C 13 58.090 0.400 . 1 . . . A 98 LEU CA . 18112 1 661 . 1 1 98 98 LEU CB C 13 39.778 0.400 . 1 . . . A 98 LEU CB . 18112 1 662 . 1 1 98 98 LEU CD1 C 13 22.524 0.400 . 1 . . . A 98 LEU CD1 . 18112 1 663 . 1 1 98 98 LEU CD2 C 13 27.148 0.400 . 1 . . . A 98 LEU CD2 . 18112 1 664 . 1 1 98 98 LEU N N 15 120.942 0.400 . 1 . . . A 98 LEU N . 18112 1 665 . 1 1 99 99 TYR H H 1 7.522 0.020 . 1 . . . A 99 TYR H . 18112 1 666 . 1 1 99 99 TYR HD1 H 1 6.913 0.020 . 1 . . . A 99 TYR HD1 . 18112 1 667 . 1 1 99 99 TYR HD2 H 1 6.913 0.020 . 1 . . . A 99 TYR HD2 . 18112 1 668 . 1 1 99 99 TYR HE1 H 1 6.773 0.020 . 1 . . . A 99 TYR HE1 . 18112 1 669 . 1 1 99 99 TYR HE2 H 1 6.773 0.020 . 1 . . . A 99 TYR HE2 . 18112 1 670 . 1 1 99 99 TYR C C 13 177.077 0.400 . 1 . . . A 99 TYR C . 18112 1 671 . 1 1 99 99 TYR CA C 13 62.622 0.400 . 1 . . . A 99 TYR CA . 18112 1 672 . 1 1 99 99 TYR CB C 13 38.742 0.400 . 1 . . . A 99 TYR CB . 18112 1 673 . 1 1 99 99 TYR CD1 C 13 133.214 0.400 . 1 . . . A 99 TYR CD1 . 18112 1 674 . 1 1 99 99 TYR CD2 C 13 133.214 0.400 . 1 . . . A 99 TYR CD2 . 18112 1 675 . 1 1 99 99 TYR CE1 C 13 117.307 0.400 . 1 . . . A 99 TYR CE1 . 18112 1 676 . 1 1 99 99 TYR CE2 C 13 117.307 0.400 . 1 . . . A 99 TYR CE2 . 18112 1 677 . 1 1 99 99 TYR N N 15 118.313 0.400 . 1 . . . A 99 TYR N . 18112 1 678 . 1 1 100 100 ARG H H 1 8.243 0.020 . 1 . . . A 100 ARG H . 18112 1 679 . 1 1 100 100 ARG C C 13 178.616 0.400 . 1 . . . A 100 ARG C . 18112 1 680 . 1 1 100 100 ARG CA C 13 59.915 0.400 . 1 . . . A 100 ARG CA . 18112 1 681 . 1 1 100 100 ARG CB C 13 29.100 0.400 . 1 . . . A 100 ARG CB . 18112 1 682 . 1 1 100 100 ARG N N 15 118.101 0.400 . 1 . . . A 100 ARG N . 18112 1 683 . 1 1 101 101 ALA H H 1 8.352 0.020 . 1 . . . A 101 ALA H . 18112 1 684 . 1 1 101 101 ALA HA H 1 4.145 0.020 . 1 . . . A 101 ALA HA . 18112 1 685 . 1 1 101 101 ALA HB1 H 1 1.569 0.020 . 1 . . . A 101 ALA HB1 . 18112 1 686 . 1 1 101 101 ALA HB2 H 1 1.569 0.020 . 1 . . . A 101 ALA HB2 . 18112 1 687 . 1 1 101 101 ALA HB3 H 1 1.569 0.020 . 1 . . . A 101 ALA HB3 . 18112 1 688 . 1 1 101 101 ALA C C 13 181.359 0.400 . 1 . . . A 101 ALA C . 18112 1 689 . 1 1 101 101 ALA CA C 13 55.057 0.400 . 1 . . . A 101 ALA CA . 18112 1 690 . 1 1 101 101 ALA CB C 13 17.543 0.400 . 1 . . . A 101 ALA CB . 18112 1 691 . 1 1 101 101 ALA N N 15 120.972 0.400 . 1 . . . A 101 ALA N . 18112 1 692 . 1 1 102 102 LEU H H 1 7.960 0.020 . 1 . . . A 102 LEU H . 18112 1 693 . 1 1 102 102 LEU HA H 1 4.333 0.020 . 1 . . . A 102 LEU HA . 18112 1 694 . 1 1 102 102 LEU HB2 H 1 2.330 0.020 . 2 . . . A 102 LEU HB2 . 18112 1 695 . 1 1 102 102 LEU HB3 H 1 2.370 0.020 . 2 . . . A 102 LEU HB3 . 18112 1 696 . 1 1 102 102 LEU HD11 H 1 1.013 0.020 . 1 . . . A 102 LEU HD11 . 18112 1 697 . 1 1 102 102 LEU HD12 H 1 1.013 0.020 . 1 . . . A 102 LEU HD12 . 18112 1 698 . 1 1 102 102 LEU HD13 H 1 1.013 0.020 . 1 . . . A 102 LEU HD13 . 18112 1 699 . 1 1 102 102 LEU HD21 H 1 1.255 0.020 . 1 . . . A 102 LEU HD21 . 18112 1 700 . 1 1 102 102 LEU HD22 H 1 1.255 0.020 . 1 . . . A 102 LEU HD22 . 18112 1 701 . 1 1 102 102 LEU HD23 H 1 1.255 0.020 . 1 . . . A 102 LEU HD23 . 18112 1 702 . 1 1 102 102 LEU C C 13 178.583 0.400 . 1 . . . A 102 LEU C . 18112 1 703 . 1 1 102 102 LEU CA C 13 57.634 0.400 . 1 . . . A 102 LEU CA . 18112 1 704 . 1 1 102 102 LEU CB C 13 41.716 0.400 . 1 . . . A 102 LEU CB . 18112 1 705 . 1 1 102 102 LEU CD1 C 13 25.992 0.400 . 1 . . . A 102 LEU CD1 . 18112 1 706 . 1 1 102 102 LEU CD2 C 13 23.261 0.400 . 1 . . . A 102 LEU CD2 . 18112 1 707 . 1 1 102 102 LEU N N 15 115.683 0.400 . 1 . . . A 102 LEU N . 18112 1 708 . 1 1 103 103 ASN H H 1 9.301 0.020 . 1 . . . A 103 ASN H . 18112 1 709 . 1 1 103 103 ASN C C 13 177.470 0.400 . 1 . . . A 103 ASN C . 18112 1 710 . 1 1 103 103 ASN CA C 13 56.974 0.400 . 1 . . . A 103 ASN CA . 18112 1 711 . 1 1 103 103 ASN CB C 13 38.140 0.400 . 1 . . . A 103 ASN CB . 18112 1 712 . 1 1 103 103 ASN N N 15 118.957 0.400 . 1 . . . A 103 ASN N . 18112 1 713 . 1 1 104 104 MET H H 1 8.332 0.020 . 1 . . . A 104 MET H . 18112 1 714 . 1 1 104 104 MET CA C 13 57.362 0.400 . 1 . . . A 104 MET CA . 18112 1 715 . 1 1 104 104 MET CB C 13 31.895 0.400 . 1 . . . A 104 MET CB . 18112 1 716 . 1 1 104 104 MET N N 15 113.763 0.400 . 1 . . . A 104 MET N . 18112 1 717 . 1 1 105 105 HIS H H 1 7.156 0.020 . 1 . . . A 105 HIS H . 18112 1 718 . 1 1 105 105 HIS HA H 1 3.764 0.020 . 1 . . . A 105 HIS HA . 18112 1 719 . 1 1 105 105 HIS HB2 H 1 2.369 0.020 . 1 . . . A 105 HIS HB2 . 18112 1 720 . 1 1 105 105 HIS HE1 H 1 7.446 0.020 . 1 . . . A 105 HIS HE1 . 18112 1 721 . 1 1 105 105 HIS C C 13 176.939 0.400 . 1 . . . A 105 HIS C . 18112 1 722 . 1 1 105 105 HIS CA C 13 59.069 0.400 . 1 . . . A 105 HIS CA . 18112 1 723 . 1 1 105 105 HIS CE1 C 13 137.467 0.400 . 1 . . . A 105 HIS CE1 . 18112 1 724 . 1 1 105 105 HIS N N 15 116.024 0.400 . 1 . . . A 105 HIS N . 18112 1 725 . 1 1 106 106 TYR H H 1 7.204 0.020 . 1 . . . A 106 TYR H . 18112 1 726 . 1 1 106 106 TYR HD1 H 1 6.549 0.020 . 1 . . . A 106 TYR HD1 . 18112 1 727 . 1 1 106 106 TYR HD2 H 1 6.549 0.020 . 1 . . . A 106 TYR HD2 . 18112 1 728 . 1 1 106 106 TYR HE1 H 1 6.453 0.020 . 1 . . . A 106 TYR HE1 . 18112 1 729 . 1 1 106 106 TYR HE2 H 1 6.453 0.020 . 1 . . . A 106 TYR HE2 . 18112 1 730 . 1 1 106 106 TYR C C 13 173.767 0.400 . 1 . . . A 106 TYR C . 18112 1 731 . 1 1 106 106 TYR CA C 13 58.488 0.400 . 1 . . . A 106 TYR CA . 18112 1 732 . 1 1 106 106 TYR CB C 13 38.225 0.400 . 1 . . . A 106 TYR CB . 18112 1 733 . 1 1 106 106 TYR CD1 C 13 132.922 0.400 . 1 . . . A 106 TYR CD1 . 18112 1 734 . 1 1 106 106 TYR CD2 C 13 132.922 0.400 . 1 . . . A 106 TYR CD2 . 18112 1 735 . 1 1 106 106 TYR CE1 C 13 117.736 0.400 . 1 . . . A 106 TYR CE1 . 18112 1 736 . 1 1 106 106 TYR CE2 C 13 117.736 0.400 . 1 . . . A 106 TYR CE2 . 18112 1 737 . 1 1 106 106 TYR N N 15 113.161 0.400 . 1 . . . A 106 TYR N . 18112 1 738 . 1 1 107 107 ASN H H 1 8.127 0.020 . 1 . . . A 107 ASN H . 18112 1 739 . 1 1 107 107 ASN HA H 1 3.922 0.020 . 1 . . . A 107 ASN HA . 18112 1 740 . 1 1 107 107 ASN C C 13 175.815 0.400 . 1 . . . A 107 ASN C . 18112 1 741 . 1 1 107 107 ASN CA C 13 51.233 0.400 . 1 . . . A 107 ASN CA . 18112 1 742 . 1 1 107 107 ASN CB C 13 38.142 0.400 . 1 . . . A 107 ASN CB . 18112 1 743 . 1 1 107 107 ASN N N 15 118.875 0.400 . 1 . . . A 107 ASN N . 18112 1 744 . 1 1 108 108 LYS H H 1 7.772 0.020 . 1 . . . A 108 LYS H . 18112 1 745 . 1 1 108 108 LYS HA H 1 3.954 0.020 . 1 . . . A 108 LYS HA . 18112 1 746 . 1 1 108 108 LYS HB2 H 1 1.607 0.020 . 1 . . . A 108 LYS HB2 . 18112 1 747 . 1 1 108 108 LYS C C 13 177.586 0.400 . 1 . . . A 108 LYS C . 18112 1 748 . 1 1 108 108 LYS CA C 13 59.749 0.400 . 1 . . . A 108 LYS CA . 18112 1 749 . 1 1 108 108 LYS CB C 13 31.498 0.400 . 1 . . . A 108 LYS CB . 18112 1 750 . 1 1 108 108 LYS N N 15 122.850 0.400 . 1 . . . A 108 LYS N . 18112 1 751 . 1 1 109 109 ALA H H 1 8.307 0.020 . 1 . . . A 109 ALA H . 18112 1 752 . 1 1 109 109 ALA HA H 1 4.137 0.020 . 1 . . . A 109 ALA HA . 18112 1 753 . 1 1 109 109 ALA HB1 H 1 1.329 0.020 . 1 . . . A 109 ALA HB1 . 18112 1 754 . 1 1 109 109 ALA HB2 H 1 1.329 0.020 . 1 . . . A 109 ALA HB2 . 18112 1 755 . 1 1 109 109 ALA HB3 H 1 1.329 0.020 . 1 . . . A 109 ALA HB3 . 18112 1 756 . 1 1 109 109 ALA C C 13 177.889 0.400 . 1 . . . A 109 ALA C . 18112 1 757 . 1 1 109 109 ALA CA C 13 52.299 0.400 . 1 . . . A 109 ALA CA . 18112 1 758 . 1 1 109 109 ALA CB C 13 17.787 0.400 . 1 . . . A 109 ALA CB . 18112 1 759 . 1 1 109 109 ALA N N 15 118.054 0.400 . 1 . . . A 109 ALA N . 18112 1 760 . 1 1 110 110 ASN H H 1 8.353 0.020 . 1 . . . A 110 ASN H . 18112 1 761 . 1 1 110 110 ASN HA H 1 4.480 0.020 . 1 . . . A 110 ASN HA . 18112 1 762 . 1 1 110 110 ASN HB2 H 1 3.199 0.020 . 2 . . . A 110 ASN HB2 . 18112 1 763 . 1 1 110 110 ASN HB3 H 1 2.441 0.020 . 2 . . . A 110 ASN HB3 . 18112 1 764 . 1 1 110 110 ASN C C 13 174.277 0.400 . 1 . . . A 110 ASN C . 18112 1 765 . 1 1 110 110 ASN CA C 13 53.504 0.400 . 1 . . . A 110 ASN CA . 18112 1 766 . 1 1 110 110 ASN CB C 13 37.283 0.400 . 1 . . . A 110 ASN CB . 18112 1 767 . 1 1 110 110 ASN N N 15 115.542 0.400 . 1 . . . A 110 ASN N . 18112 1 768 . 1 1 111 111 ASP H H 1 8.297 0.020 . 1 . . . A 111 ASP H . 18112 1 769 . 1 1 111 111 ASP HA H 1 4.485 0.020 . 1 . . . A 111 ASP HA . 18112 1 770 . 1 1 111 111 ASP HB2 H 1 2.851 0.020 . 2 . . . A 111 ASP HB2 . 18112 1 771 . 1 1 111 111 ASP HB3 H 1 2.387 0.020 . 2 . . . A 111 ASP HB3 . 18112 1 772 . 1 1 111 111 ASP C C 13 174.868 0.400 . 1 . . . A 111 ASP C . 18112 1 773 . 1 1 111 111 ASP CA C 13 53.227 0.400 . 1 . . . A 111 ASP CA . 18112 1 774 . 1 1 111 111 ASP CB C 13 39.228 0.400 . 1 . . . A 111 ASP CB . 18112 1 775 . 1 1 111 111 ASP N N 15 114.692 0.400 . 1 . . . A 111 ASP N . 18112 1 776 . 1 1 112 112 PHE H H 1 7.784 0.020 . 1 . . . A 112 PHE H . 18112 1 777 . 1 1 112 112 PHE HA H 1 4.752 0.020 . 1 . . . A 112 PHE HA . 18112 1 778 . 1 1 112 112 PHE HB2 H 1 2.776 0.020 . 1 . . . A 112 PHE HB2 . 18112 1 779 . 1 1 112 112 PHE C C 13 174.633 0.400 . 1 . . . A 112 PHE C . 18112 1 780 . 1 1 112 112 PHE CA C 13 56.346 0.400 . 1 . . . A 112 PHE CA . 18112 1 781 . 1 1 112 112 PHE N N 15 120.927 0.400 . 1 . . . A 112 PHE N . 18112 1 782 . 1 1 113 113 GLU H H 1 7.752 0.020 . 1 . . . A 113 GLU H . 18112 1 783 . 1 1 113 113 GLU HA H 1 4.011 0.020 . 1 . . . A 113 GLU HA . 18112 1 784 . 1 1 113 113 GLU HB2 H 1 1.606 0.020 . 1 . . . A 113 GLU HB2 . 18112 1 785 . 1 1 113 113 GLU HB3 H 1 1.606 0.020 . 1 . . . A 113 GLU HB3 . 18112 1 786 . 1 1 113 113 GLU C C 13 173.502 0.400 . 1 . . . A 113 GLU C . 18112 1 787 . 1 1 113 113 GLU CA C 13 55.100 0.400 . 1 . . . A 113 GLU CA . 18112 1 788 . 1 1 113 113 GLU N N 15 128.111 0.400 . 1 . . . A 113 GLU N . 18112 1 789 . 1 1 114 114 VAL H H 1 8.008 0.020 . 1 . . . A 114 VAL H . 18112 1 790 . 1 1 114 114 VAL HA H 1 3.241 0.020 . 1 . . . A 114 VAL HA . 18112 1 791 . 1 1 114 114 VAL HB H 1 1.659 0.020 . 1 . . . A 114 VAL HB . 18112 1 792 . 1 1 114 114 VAL HG11 H 1 0.576 0.020 . 1 . . . A 114 VAL HG11 . 18112 1 793 . 1 1 114 114 VAL HG12 H 1 0.576 0.020 . 1 . . . A 114 VAL HG12 . 18112 1 794 . 1 1 114 114 VAL HG13 H 1 0.576 0.020 . 1 . . . A 114 VAL HG13 . 18112 1 795 . 1 1 114 114 VAL HG21 H 1 0.463 0.020 . 1 . . . A 114 VAL HG21 . 18112 1 796 . 1 1 114 114 VAL HG22 H 1 0.463 0.020 . 1 . . . A 114 VAL HG22 . 18112 1 797 . 1 1 114 114 VAL HG23 H 1 0.463 0.020 . 1 . . . A 114 VAL HG23 . 18112 1 798 . 1 1 114 114 VAL CA C 13 60.838 0.400 . 1 . . . A 114 VAL CA . 18112 1 799 . 1 1 114 114 VAL CB C 13 32.609 0.400 . 1 . . . A 114 VAL CB . 18112 1 800 . 1 1 114 114 VAL CG1 C 13 20.218 0.400 . 1 . . . A 114 VAL CG1 . 18112 1 801 . 1 1 114 114 VAL CG2 C 13 22.462 0.400 . 1 . . . A 114 VAL CG2 . 18112 1 802 . 1 1 114 114 VAL N N 15 129.326 0.400 . 1 . . . A 114 VAL N . 18112 1 803 . 1 1 115 115 PRO HA H 1 4.429 0.020 . 1 . . . A 115 PRO HA . 18112 1 804 . 1 1 115 115 PRO HB2 H 1 2.355 0.020 . 2 . . . A 115 PRO HB2 . 18112 1 805 . 1 1 115 115 PRO HB3 H 1 2.053 0.020 . 2 . . . A 115 PRO HB3 . 18112 1 806 . 1 1 115 115 PRO C C 13 177.421 0.400 . 1 . . . A 115 PRO C . 18112 1 807 . 1 1 115 115 PRO CA C 13 61.882 0.400 . 1 . . . A 115 PRO CA . 18112 1 808 . 1 1 115 115 PRO CB C 13 30.974 0.400 . 1 . . . A 115 PRO CB . 18112 1 809 . 1 1 116 116 GLU H H 1 8.757 0.020 . 1 . . . A 116 GLU H . 18112 1 810 . 1 1 116 116 GLU C C 13 179.034 0.400 . 1 . . . A 116 GLU C . 18112 1 811 . 1 1 116 116 GLU CA C 13 58.913 0.400 . 1 . . . A 116 GLU CA . 18112 1 812 . 1 1 116 116 GLU CB C 13 28.378 0.400 . 1 . . . A 116 GLU CB . 18112 1 813 . 1 1 116 116 GLU N N 15 123.936 0.400 . 1 . . . A 116 GLU N . 18112 1 814 . 1 1 117 117 ARG H H 1 8.733 0.020 . 1 . . . A 117 ARG H . 18112 1 815 . 1 1 117 117 ARG C C 13 177.570 0.400 . 1 . . . A 117 ARG C . 18112 1 816 . 1 1 117 117 ARG CA C 13 57.033 0.400 . 1 . . . A 117 ARG CA . 18112 1 817 . 1 1 117 117 ARG CB C 13 28.172 0.400 . 1 . . . A 117 ARG CB . 18112 1 818 . 1 1 117 117 ARG N N 15 116.943 0.400 . 1 . . . A 117 ARG N . 18112 1 819 . 1 1 118 118 PHE H H 1 7.606 0.020 . 1 . . . A 118 PHE H . 18112 1 820 . 1 1 118 118 PHE HA H 1 4.137 0.020 . 1 . . . A 118 PHE HA . 18112 1 821 . 1 1 118 118 PHE HB2 H 1 2.974 0.020 . 2 . . . A 118 PHE HB2 . 18112 1 822 . 1 1 118 118 PHE HB3 H 1 1.873 0.020 . 2 . . . A 118 PHE HB3 . 18112 1 823 . 1 1 118 118 PHE C C 13 176.992 0.400 . 1 . . . A 118 PHE C . 18112 1 824 . 1 1 118 118 PHE CA C 13 61.627 0.400 . 1 . . . A 118 PHE CA . 18112 1 825 . 1 1 118 118 PHE CB C 13 37.386 0.400 . 1 . . . A 118 PHE CB . 18112 1 826 . 1 1 118 118 PHE N N 15 117.528 0.400 . 1 . . . A 118 PHE N . 18112 1 827 . 1 1 119 119 LEU H H 1 7.248 0.020 . 1 . . . A 119 LEU H . 18112 1 828 . 1 1 119 119 LEU HA H 1 3.684 0.020 . 1 . . . A 119 LEU HA . 18112 1 829 . 1 1 119 119 LEU HB2 H 1 1.954 0.020 . 2 . . . A 119 LEU HB2 . 18112 1 830 . 1 1 119 119 LEU HB3 H 1 1.958 0.020 . 2 . . . A 119 LEU HB3 . 18112 1 831 . 1 1 119 119 LEU HG H 1 1.504 0.020 . 1 . . . A 119 LEU HG . 18112 1 832 . 1 1 119 119 LEU HD11 H 1 0.831 0.020 . 1 . . . A 119 LEU HD11 . 18112 1 833 . 1 1 119 119 LEU HD12 H 1 0.831 0.020 . 1 . . . A 119 LEU HD12 . 18112 1 834 . 1 1 119 119 LEU HD13 H 1 0.831 0.020 . 1 . . . A 119 LEU HD13 . 18112 1 835 . 1 1 119 119 LEU HD21 H 1 0.616 0.020 . 1 . . . A 119 LEU HD21 . 18112 1 836 . 1 1 119 119 LEU HD22 H 1 0.616 0.020 . 1 . . . A 119 LEU HD22 . 18112 1 837 . 1 1 119 119 LEU HD23 H 1 0.616 0.020 . 1 . . . A 119 LEU HD23 . 18112 1 838 . 1 1 119 119 LEU C C 13 178.802 0.400 . 1 . . . A 119 LEU C . 18112 1 839 . 1 1 119 119 LEU CA C 13 59.875 0.400 . 1 . . . A 119 LEU CA . 18112 1 840 . 1 1 119 119 LEU CB C 13 39.453 0.400 . 1 . . . A 119 LEU CB . 18112 1 841 . 1 1 119 119 LEU CD1 C 13 25.682 0.400 . 1 . . . A 119 LEU CD1 . 18112 1 842 . 1 1 119 119 LEU CD2 C 13 25.431 0.400 . 1 . . . A 119 LEU CD2 . 18112 1 843 . 1 1 119 119 LEU N N 15 118.483 0.400 . 1 . . . A 119 LEU N . 18112 1 844 . 1 1 120 120 GLU H H 1 7.423 0.020 . 1 . . . A 120 GLU H . 18112 1 845 . 1 1 120 120 GLU C C 13 179.932 0.400 . 1 . . . A 120 GLU C . 18112 1 846 . 1 1 120 120 GLU CA C 13 59.150 0.400 . 1 . . . A 120 GLU CA . 18112 1 847 . 1 1 120 120 GLU CB C 13 28.878 0.400 . 1 . . . A 120 GLU CB . 18112 1 848 . 1 1 120 120 GLU N N 15 117.870 0.400 . 1 . . . A 120 GLU N . 18112 1 849 . 1 1 121 121 VAL H H 1 8.313 0.020 . 1 . . . A 121 VAL H . 18112 1 850 . 1 1 121 121 VAL HA H 1 3.545 0.020 . 1 . . . A 121 VAL HA . 18112 1 851 . 1 1 121 121 VAL HB H 1 1.927 0.020 . 1 . . . A 121 VAL HB . 18112 1 852 . 1 1 121 121 VAL HG11 H 1 0.827 0.020 . 1 . . . A 121 VAL HG11 . 18112 1 853 . 1 1 121 121 VAL HG12 H 1 0.827 0.020 . 1 . . . A 121 VAL HG12 . 18112 1 854 . 1 1 121 121 VAL HG13 H 1 0.827 0.020 . 1 . . . A 121 VAL HG13 . 18112 1 855 . 1 1 121 121 VAL HG21 H 1 1.111 0.020 . 1 . . . A 121 VAL HG21 . 18112 1 856 . 1 1 121 121 VAL HG22 H 1 1.111 0.020 . 1 . . . A 121 VAL HG22 . 18112 1 857 . 1 1 121 121 VAL HG23 H 1 1.111 0.020 . 1 . . . A 121 VAL HG23 . 18112 1 858 . 1 1 121 121 VAL C C 13 179.302 0.400 . 1 . . . A 121 VAL C . 18112 1 859 . 1 1 121 121 VAL CA C 13 66.875 0.400 . 1 . . . A 121 VAL CA . 18112 1 860 . 1 1 121 121 VAL CB C 13 30.823 0.400 . 1 . . . A 121 VAL CB . 18112 1 861 . 1 1 121 121 VAL CG1 C 13 19.770 0.400 . 1 . . . A 121 VAL CG1 . 18112 1 862 . 1 1 121 121 VAL CG2 C 13 23.166 0.400 . 1 . . . A 121 VAL CG2 . 18112 1 863 . 1 1 121 121 VAL N N 15 120.777 0.400 . 1 . . . A 121 VAL N . 18112 1 864 . 1 1 122 122 ALA H H 1 8.896 0.020 . 1 . . . A 122 ALA H . 18112 1 865 . 1 1 122 122 ALA HA H 1 4.251 0.020 . 1 . . . A 122 ALA HA . 18112 1 866 . 1 1 122 122 ALA HB1 H 1 1.012 0.020 . 1 . . . A 122 ALA HB1 . 18112 1 867 . 1 1 122 122 ALA HB2 H 1 1.012 0.020 . 1 . . . A 122 ALA HB2 . 18112 1 868 . 1 1 122 122 ALA HB3 H 1 1.012 0.020 . 1 . . . A 122 ALA HB3 . 18112 1 869 . 1 1 122 122 ALA C C 13 178.366 0.400 . 1 . . . A 122 ALA C . 18112 1 870 . 1 1 122 122 ALA CA C 13 54.748 0.400 . 1 . . . A 122 ALA CA . 18112 1 871 . 1 1 122 122 ALA CB C 13 16.565 0.400 . 1 . . . A 122 ALA CB . 18112 1 872 . 1 1 122 122 ALA N N 15 127.029 0.400 . 1 . . . A 122 ALA N . 18112 1 873 . 1 1 123 123 GLN H H 1 8.349 0.020 . 1 . . . A 123 GLN H . 18112 1 874 . 1 1 123 123 GLN C C 13 177.908 0.400 . 1 . . . A 123 GLN C . 18112 1 875 . 1 1 123 123 GLN CA C 13 60.671 0.400 . 1 . . . A 123 GLN CA . 18112 1 876 . 1 1 123 123 GLN N N 15 119.887 0.400 . 1 . . . A 123 GLN N . 18112 1 877 . 1 1 124 124 ILE H H 1 8.204 0.020 . 1 . . . A 124 ILE H . 18112 1 878 . 1 1 124 124 ILE HA H 1 3.651 0.020 . 1 . . . A 124 ILE HA . 18112 1 879 . 1 1 124 124 ILE HB H 1 1.909 0.020 . 1 . . . A 124 ILE HB . 18112 1 880 . 1 1 124 124 ILE HG12 H 1 0.887 0.020 . 2 . . . A 124 ILE HG12 . 18112 1 881 . 1 1 124 124 ILE HG13 H 1 0.914 0.020 . 2 . . . A 124 ILE HG13 . 18112 1 882 . 1 1 124 124 ILE HG21 H 1 0.897 0.020 . 1 . . . A 124 ILE HG21 . 18112 1 883 . 1 1 124 124 ILE HG22 H 1 0.897 0.020 . 1 . . . A 124 ILE HG22 . 18112 1 884 . 1 1 124 124 ILE HG23 H 1 0.897 0.020 . 1 . . . A 124 ILE HG23 . 18112 1 885 . 1 1 124 124 ILE HD11 H 1 0.877 0.020 . 1 . . . A 124 ILE HD11 . 18112 1 886 . 1 1 124 124 ILE HD12 H 1 0.877 0.020 . 1 . . . A 124 ILE HD12 . 18112 1 887 . 1 1 124 124 ILE HD13 H 1 0.877 0.020 . 1 . . . A 124 ILE HD13 . 18112 1 888 . 1 1 124 124 ILE C C 13 178.703 0.400 . 1 . . . A 124 ILE C . 18112 1 889 . 1 1 124 124 ILE CA C 13 65.945 0.400 . 1 . . . A 124 ILE CA . 18112 1 890 . 1 1 124 124 ILE CG2 C 13 16.711 0.400 . 1 . . . A 124 ILE CG2 . 18112 1 891 . 1 1 124 124 ILE CD1 C 13 13.971 0.400 . 1 . . . A 124 ILE CD1 . 18112 1 892 . 1 1 124 124 ILE N N 15 120.632 0.400 . 1 . . . A 124 ILE N . 18112 1 893 . 1 1 125 125 THR H H 1 8.399 0.020 . 1 . . . A 125 THR H . 18112 1 894 . 1 1 125 125 THR HG21 H 1 1.630 0.020 . 1 . . . A 125 THR HG21 . 18112 1 895 . 1 1 125 125 THR HG22 H 1 1.630 0.020 . 1 . . . A 125 THR HG22 . 18112 1 896 . 1 1 125 125 THR HG23 H 1 1.630 0.020 . 1 . . . A 125 THR HG23 . 18112 1 897 . 1 1 125 125 THR C C 13 175.568 0.400 . 1 . . . A 125 THR C . 18112 1 898 . 1 1 125 125 THR CA C 13 67.872 0.400 . 1 . . . A 125 THR CA . 18112 1 899 . 1 1 125 125 THR CG2 C 13 23.266 0.400 . 1 . . . A 125 THR CG2 . 18112 1 900 . 1 1 125 125 THR N N 15 115.084 0.400 . 1 . . . A 125 THR N . 18112 1 901 . 1 1 126 126 LEU H H 1 8.728 0.020 . 1 . . . A 126 LEU H . 18112 1 902 . 1 1 126 126 LEU HA H 1 4.085 0.020 . 1 . . . A 126 LEU HA . 18112 1 903 . 1 1 126 126 LEU HG H 1 1.542 0.020 . 1 . . . A 126 LEU HG . 18112 1 904 . 1 1 126 126 LEU HD11 H 1 0.999 0.020 . 1 . . . A 126 LEU HD11 . 18112 1 905 . 1 1 126 126 LEU HD12 H 1 0.999 0.020 . 1 . . . A 126 LEU HD12 . 18112 1 906 . 1 1 126 126 LEU HD13 H 1 0.999 0.020 . 1 . . . A 126 LEU HD13 . 18112 1 907 . 1 1 126 126 LEU HD21 H 1 0.781 0.020 . 1 . . . A 126 LEU HD21 . 18112 1 908 . 1 1 126 126 LEU HD22 H 1 0.781 0.020 . 1 . . . A 126 LEU HD22 . 18112 1 909 . 1 1 126 126 LEU HD23 H 1 0.781 0.020 . 1 . . . A 126 LEU HD23 . 18112 1 910 . 1 1 126 126 LEU C C 13 178.559 0.400 . 1 . . . A 126 LEU C . 18112 1 911 . 1 1 126 126 LEU CA C 13 58.843 0.400 . 1 . . . A 126 LEU CA . 18112 1 912 . 1 1 126 126 LEU CB C 13 41.421 0.400 . 1 . . . A 126 LEU CB . 18112 1 913 . 1 1 126 126 LEU CD1 C 13 22.885 0.400 . 1 . . . A 126 LEU CD1 . 18112 1 914 . 1 1 126 126 LEU CD2 C 13 26.863 0.400 . 1 . . . A 126 LEU CD2 . 18112 1 915 . 1 1 126 126 LEU N N 15 125.011 0.400 . 1 . . . A 126 LEU N . 18112 1 916 . 1 1 127 127 ARG H H 1 8.213 0.020 . 1 . . . A 127 ARG H . 18112 1 917 . 1 1 127 127 ARG HA H 1 3.929 0.020 . 1 . . . A 127 ARG HA . 18112 1 918 . 1 1 127 127 ARG C C 13 177.984 0.400 . 1 . . . A 127 ARG C . 18112 1 919 . 1 1 127 127 ARG CA C 13 60.685 0.400 . 1 . . . A 127 ARG CA . 18112 1 920 . 1 1 127 127 ARG CB C 13 28.079 0.400 . 1 . . . A 127 ARG CB . 18112 1 921 . 1 1 127 127 ARG N N 15 117.076 0.400 . 1 . . . A 127 ARG N . 18112 1 922 . 1 1 128 128 GLU H H 1 8.478 0.020 . 1 . . . A 128 GLU H . 18112 1 923 . 1 1 128 128 GLU HA H 1 4.147 0.020 . 1 . . . A 128 GLU HA . 18112 1 924 . 1 1 128 128 GLU C C 13 181.150 0.400 . 1 . . . A 128 GLU C . 18112 1 925 . 1 1 128 128 GLU CA C 13 59.508 0.400 . 1 . . . A 128 GLU CA . 18112 1 926 . 1 1 128 128 GLU N N 15 118.617 0.400 . 1 . . . A 128 GLU N . 18112 1 927 . 1 1 129 129 PHE H H 1 8.570 0.020 . 1 . . . A 129 PHE H . 18112 1 928 . 1 1 129 129 PHE HA H 1 4.104 0.020 . 1 . . . A 129 PHE HA . 18112 1 929 . 1 1 129 129 PHE HD1 H 1 7.233 0.020 . 1 . . . A 129 PHE HD1 . 18112 1 930 . 1 1 129 129 PHE HD2 H 1 7.233 0.020 . 1 . . . A 129 PHE HD2 . 18112 1 931 . 1 1 129 129 PHE HE1 H 1 7.586 0.020 . 1 . . . A 129 PHE HE1 . 18112 1 932 . 1 1 129 129 PHE HE2 H 1 7.586 0.020 . 1 . . . A 129 PHE HE2 . 18112 1 933 . 1 1 129 129 PHE C C 13 177.170 0.400 . 1 . . . A 129 PHE C . 18112 1 934 . 1 1 129 129 PHE CA C 13 63.694 0.400 . 1 . . . A 129 PHE CA . 18112 1 935 . 1 1 129 129 PHE CD1 C 13 131.800 0.400 . 1 . . . A 129 PHE CD1 . 18112 1 936 . 1 1 129 129 PHE CD2 C 13 131.800 0.400 . 1 . . . A 129 PHE CD2 . 18112 1 937 . 1 1 129 129 PHE CE1 C 13 131.100 0.400 . 1 . . . A 129 PHE CE1 . 18112 1 938 . 1 1 129 129 PHE CE2 C 13 131.100 0.400 . 1 . . . A 129 PHE CE2 . 18112 1 939 . 1 1 129 129 PHE N N 15 119.267 0.400 . 1 . . . A 129 PHE N . 18112 1 940 . 1 1 130 130 PHE H H 1 8.740 0.020 . 1 . . . A 130 PHE H . 18112 1 941 . 1 1 130 130 PHE HA H 1 3.884 0.020 . 1 . . . A 130 PHE HA . 18112 1 942 . 1 1 130 130 PHE HB2 H 1 3.234 0.020 . 2 . . . A 130 PHE HB2 . 18112 1 943 . 1 1 130 130 PHE HB3 H 1 2.884 0.020 . 2 . . . A 130 PHE HB3 . 18112 1 944 . 1 1 130 130 PHE C C 13 175.860 0.400 . 1 . . . A 130 PHE C . 18112 1 945 . 1 1 130 130 PHE CA C 13 62.819 0.400 . 1 . . . A 130 PHE CA . 18112 1 946 . 1 1 130 130 PHE N N 15 118.739 0.400 . 1 . . . A 130 PHE N . 18112 1 947 . 1 1 131 131 ASN H H 1 8.864 0.020 . 1 . . . A 131 ASN H . 18112 1 948 . 1 1 131 131 ASN HA H 1 4.373 0.020 . 1 . . . A 131 ASN HA . 18112 1 949 . 1 1 131 131 ASN HB2 H 1 2.900 0.020 . 2 . . . A 131 ASN HB2 . 18112 1 950 . 1 1 131 131 ASN HB3 H 1 2.746 0.020 . 2 . . . A 131 ASN HB3 . 18112 1 951 . 1 1 131 131 ASN C C 13 178.228 0.400 . 1 . . . A 131 ASN C . 18112 1 952 . 1 1 131 131 ASN CA C 13 55.150 0.400 . 1 . . . A 131 ASN CA . 18112 1 953 . 1 1 131 131 ASN N N 15 116.028 0.400 . 1 . . . A 131 ASN N . 18112 1 954 . 1 1 132 132 ALA H H 1 7.745 0.020 . 1 . . . A 132 ALA H . 18112 1 955 . 1 1 132 132 ALA HA H 1 4.020 0.020 . 1 . . . A 132 ALA HA . 18112 1 956 . 1 1 132 132 ALA HB1 H 1 1.579 0.020 . 1 . . . A 132 ALA HB1 . 18112 1 957 . 1 1 132 132 ALA HB2 H 1 1.579 0.020 . 1 . . . A 132 ALA HB2 . 18112 1 958 . 1 1 132 132 ALA HB3 H 1 1.579 0.020 . 1 . . . A 132 ALA HB3 . 18112 1 959 . 1 1 132 132 ALA C C 13 178.515 0.400 . 1 . . . A 132 ALA C . 18112 1 960 . 1 1 132 132 ALA CA C 13 54.924 0.400 . 1 . . . A 132 ALA CA . 18112 1 961 . 1 1 132 132 ALA CB C 13 18.441 0.400 . 1 . . . A 132 ALA CB . 18112 1 962 . 1 1 132 132 ALA N N 15 120.922 0.400 . 1 . . . A 132 ALA N . 18112 1 963 . 1 1 133 133 ILE H H 1 7.999 0.020 . 1 . . . A 133 ILE H . 18112 1 964 . 1 1 133 133 ILE HA H 1 3.235 0.020 . 1 . . . A 133 ILE HA . 18112 1 965 . 1 1 133 133 ILE HB H 1 1.382 0.020 . 1 . . . A 133 ILE HB . 18112 1 966 . 1 1 133 133 ILE HG21 H 1 0.651 0.020 . 1 . . . A 133 ILE HG21 . 18112 1 967 . 1 1 133 133 ILE HG22 H 1 0.651 0.020 . 1 . . . A 133 ILE HG22 . 18112 1 968 . 1 1 133 133 ILE HG23 H 1 0.651 0.020 . 1 . . . A 133 ILE HG23 . 18112 1 969 . 1 1 133 133 ILE HD11 H 1 0.946 0.020 . 1 . . . A 133 ILE HD11 . 18112 1 970 . 1 1 133 133 ILE HD12 H 1 0.946 0.020 . 1 . . . A 133 ILE HD12 . 18112 1 971 . 1 1 133 133 ILE HD13 H 1 0.946 0.020 . 1 . . . A 133 ILE HD13 . 18112 1 972 . 1 1 133 133 ILE C C 13 180.606 0.400 . 1 . . . A 133 ILE C . 18112 1 973 . 1 1 133 133 ILE CA C 13 65.215 0.400 . 1 . . . A 133 ILE CA . 18112 1 974 . 1 1 133 133 ILE CB C 13 38.291 0.400 . 1 . . . A 133 ILE CB . 18112 1 975 . 1 1 133 133 ILE CG1 C 13 29.762 0.400 . 1 . . . A 133 ILE CG1 . 18112 1 976 . 1 1 133 133 ILE CG2 C 13 18.905 0.400 . 1 . . . A 133 ILE CG2 . 18112 1 977 . 1 1 133 133 ILE CD1 C 13 15.174 0.400 . 1 . . . A 133 ILE CD1 . 18112 1 978 . 1 1 133 133 ILE N N 15 118.200 0.400 . 1 . . . A 133 ILE N . 18112 1 979 . 1 1 134 134 ILE H H 1 8.670 0.020 . 1 . . . A 134 ILE H . 18112 1 980 . 1 1 134 134 ILE HA H 1 3.788 0.020 . 1 . . . A 134 ILE HA . 18112 1 981 . 1 1 134 134 ILE HB H 1 1.272 0.020 . 1 . . . A 134 ILE HB . 18112 1 982 . 1 1 134 134 ILE HG21 H 1 0.687 0.020 . 1 . . . A 134 ILE HG21 . 18112 1 983 . 1 1 134 134 ILE HG22 H 1 0.687 0.020 . 1 . . . A 134 ILE HG22 . 18112 1 984 . 1 1 134 134 ILE HG23 H 1 0.687 0.020 . 1 . . . A 134 ILE HG23 . 18112 1 985 . 1 1 134 134 ILE HD11 H 1 0.662 0.020 . 1 . . . A 134 ILE HD11 . 18112 1 986 . 1 1 134 134 ILE HD12 H 1 0.662 0.020 . 1 . . . A 134 ILE HD12 . 18112 1 987 . 1 1 134 134 ILE HD13 H 1 0.662 0.020 . 1 . . . A 134 ILE HD13 . 18112 1 988 . 1 1 134 134 ILE C C 13 177.215 0.400 . 1 . . . A 134 ILE C . 18112 1 989 . 1 1 134 134 ILE CA C 13 63.584 0.400 . 1 . . . A 134 ILE CA . 18112 1 990 . 1 1 134 134 ILE CB C 13 35.636 0.400 . 1 . . . A 134 ILE CB . 18112 1 991 . 1 1 134 134 ILE CG2 C 13 17.424 0.400 . 1 . . . A 134 ILE CG2 . 18112 1 992 . 1 1 134 134 ILE CD1 C 13 13.237 0.400 . 1 . . . A 134 ILE CD1 . 18112 1 993 . 1 1 134 134 ILE N N 15 122.564 0.400 . 1 . . . A 134 ILE N . 18112 1 994 . 1 1 135 135 ALA H H 1 6.898 0.020 . 1 . . . A 135 ALA H . 18112 1 995 . 1 1 135 135 ALA HA H 1 4.357 0.020 . 1 . . . A 135 ALA HA . 18112 1 996 . 1 1 135 135 ALA HB1 H 1 1.469 0.020 . 1 . . . A 135 ALA HB1 . 18112 1 997 . 1 1 135 135 ALA HB2 H 1 1.469 0.020 . 1 . . . A 135 ALA HB2 . 18112 1 998 . 1 1 135 135 ALA HB3 H 1 1.469 0.020 . 1 . . . A 135 ALA HB3 . 18112 1 999 . 1 1 135 135 ALA C C 13 177.786 0.400 . 1 . . . A 135 ALA C . 18112 1 1000 . 1 1 135 135 ALA CA C 13 51.521 0.400 . 1 . . . A 135 ALA CA . 18112 1 1001 . 1 1 135 135 ALA CB C 13 18.839 0.400 . 1 . . . A 135 ALA CB . 18112 1 1002 . 1 1 135 135 ALA N N 15 119.989 0.400 . 1 . . . A 135 ALA N . 18112 1 1003 . 1 1 136 136 GLY H H 1 7.913 0.020 . 1 . . . A 136 GLY H . 18112 1 1004 . 1 1 136 136 GLY HA2 H 1 4.595 0.020 . 1 . . . A 136 GLY HA2 . 18112 1 1005 . 1 1 136 136 GLY C C 13 176.324 0.400 . 1 . . . A 136 GLY C . 18112 1 1006 . 1 1 136 136 GLY CA C 13 45.469 0.400 . 1 . . . A 136 GLY CA . 18112 1 1007 . 1 1 136 136 GLY N N 15 107.682 0.400 . 1 . . . A 136 GLY N . 18112 1 1008 . 1 1 137 137 LYS H H 1 8.312 0.020 . 1 . . . A 137 LYS H . 18112 1 1009 . 1 1 137 137 LYS HA H 1 4.004 0.020 . 1 . . . A 137 LYS HA . 18112 1 1010 . 1 1 137 137 LYS C C 13 176.616 0.400 . 1 . . . A 137 LYS C . 18112 1 1011 . 1 1 137 137 LYS CA C 13 57.499 0.400 . 1 . . . A 137 LYS CA . 18112 1 1012 . 1 1 137 137 LYS CB C 13 30.927 0.400 . 1 . . . A 137 LYS CB . 18112 1 1013 . 1 1 137 137 LYS N N 15 117.213 0.400 . 1 . . . A 137 LYS N . 18112 1 1014 . 1 1 138 138 ASP H H 1 8.465 0.020 . 1 . . . A 138 ASP H . 18112 1 1015 . 1 1 138 138 ASP HA H 1 3.061 0.020 . 1 . . . A 138 ASP HA . 18112 1 1016 . 1 1 138 138 ASP HB2 H 1 1.515 0.020 . 2 . . . A 138 ASP HB2 . 18112 1 1017 . 1 1 138 138 ASP HB3 H 1 0.157 0.020 . 2 . . . A 138 ASP HB3 . 18112 1 1018 . 1 1 138 138 ASP C C 13 174.698 0.400 . 1 . . . A 138 ASP C . 18112 1 1019 . 1 1 138 138 ASP CA C 13 53.694 0.400 . 1 . . . A 138 ASP CA . 18112 1 1020 . 1 1 138 138 ASP CB C 13 36.008 0.400 . 1 . . . A 138 ASP CB . 18112 1 1021 . 1 1 138 138 ASP N N 15 113.545 0.400 . 1 . . . A 138 ASP N . 18112 1 1022 . 1 1 139 139 VAL H H 1 6.610 0.020 . 1 . . . A 139 VAL H . 18112 1 1023 . 1 1 139 139 VAL HA H 1 3.886 0.020 . 1 . . . A 139 VAL HA . 18112 1 1024 . 1 1 139 139 VAL HB H 1 2.077 0.020 . 1 . . . A 139 VAL HB . 18112 1 1025 . 1 1 139 139 VAL HG11 H 1 0.846 0.020 . 1 . . . A 139 VAL HG11 . 18112 1 1026 . 1 1 139 139 VAL HG12 H 1 0.846 0.020 . 1 . . . A 139 VAL HG12 . 18112 1 1027 . 1 1 139 139 VAL HG13 H 1 0.846 0.020 . 1 . . . A 139 VAL HG13 . 18112 1 1028 . 1 1 139 139 VAL HG21 H 1 0.886 0.020 . 1 . . . A 139 VAL HG21 . 18112 1 1029 . 1 1 139 139 VAL HG22 H 1 0.886 0.020 . 1 . . . A 139 VAL HG22 . 18112 1 1030 . 1 1 139 139 VAL HG23 H 1 0.886 0.020 . 1 . . . A 139 VAL HG23 . 18112 1 1031 . 1 1 139 139 VAL C C 13 175.889 0.400 . 1 . . . A 139 VAL C . 18112 1 1032 . 1 1 139 139 VAL CA C 13 62.793 0.400 . 1 . . . A 139 VAL CA . 18112 1 1033 . 1 1 139 139 VAL CB C 13 30.662 0.400 . 1 . . . A 139 VAL CB . 18112 1 1034 . 1 1 139 139 VAL CG1 C 13 20.532 0.400 . 1 . . . A 139 VAL CG1 . 18112 1 1035 . 1 1 139 139 VAL CG2 C 13 19.906 0.400 . 1 . . . A 139 VAL CG2 . 18112 1 1036 . 1 1 139 139 VAL N N 15 115.191 0.400 . 1 . . . A 139 VAL N . 18112 1 1037 . 1 1 140 140 ASP H H 1 7.553 0.020 . 1 . . . A 140 ASP H . 18112 1 1038 . 1 1 140 140 ASP C C 13 175.234 0.400 . 1 . . . A 140 ASP C . 18112 1 1039 . 1 1 140 140 ASP CA C 13 50.221 0.400 . 1 . . . A 140 ASP CA . 18112 1 1040 . 1 1 140 140 ASP CB C 13 42.254 0.400 . 1 . . . A 140 ASP CB . 18112 1 1041 . 1 1 140 140 ASP N N 15 123.363 0.400 . 1 . . . A 140 ASP N . 18112 1 1042 . 1 1 141 141 PRO HA H 1 4.682 0.020 . 1 . . . A 141 PRO HA . 18112 1 1043 . 1 1 141 141 PRO HB2 H 1 2.469 0.020 . 2 . . . A 141 PRO HB2 . 18112 1 1044 . 1 1 141 141 PRO HB3 H 1 2.074 0.020 . 2 . . . A 141 PRO HB3 . 18112 1 1045 . 1 1 141 141 PRO C C 13 178.678 0.400 . 1 . . . A 141 PRO C . 18112 1 1046 . 1 1 141 141 PRO CA C 13 64.532 0.400 . 1 . . . A 141 PRO CA . 18112 1 1047 . 1 1 141 141 PRO CB C 13 31.331 0.400 . 1 . . . A 141 PRO CB . 18112 1 1048 . 1 1 142 142 SER H H 1 8.703 0.020 . 1 . . . A 142 SER H . 18112 1 1049 . 1 1 142 142 SER HA H 1 4.565 0.020 . 1 . . . A 142 SER HA . 18112 1 1050 . 1 1 142 142 SER HB2 H 1 3.979 0.020 . 1 . . . A 142 SER HB2 . 18112 1 1051 . 1 1 142 142 SER HB3 H 1 3.979 0.020 . 1 . . . A 142 SER HB3 . 18112 1 1052 . 1 1 142 142 SER C C 13 176.524 0.400 . 1 . . . A 142 SER C . 18112 1 1053 . 1 1 142 142 SER CA C 13 58.711 0.400 . 1 . . . A 142 SER CA . 18112 1 1054 . 1 1 142 142 SER CB C 13 62.783 0.400 . 1 . . . A 142 SER CB . 18112 1 1055 . 1 1 142 142 SER N N 15 114.421 0.400 . 1 . . . A 142 SER N . 18112 1 1056 . 1 1 143 143 TRP H H 1 8.374 0.020 . 1 . . . A 143 TRP H . 18112 1 1057 . 1 1 143 143 TRP HA H 1 4.136 0.020 . 1 . . . A 143 TRP HA . 18112 1 1058 . 1 1 143 143 TRP HD1 H 1 7.771 0.020 . 1 . . . A 143 TRP HD1 . 18112 1 1059 . 1 1 143 143 TRP HE1 H 1 10.404 0.020 . 1 . . . A 143 TRP HE1 . 18112 1 1060 . 1 1 143 143 TRP HE3 H 1 6.945 0.020 . 1 . . . A 143 TRP HE3 . 18112 1 1061 . 1 1 143 143 TRP HZ2 H 1 7.501 0.020 . 1 . . . A 143 TRP HZ2 . 18112 1 1062 . 1 1 143 143 TRP HZ3 H 1 6.569 0.020 . 1 . . . A 143 TRP HZ3 . 18112 1 1063 . 1 1 143 143 TRP HH2 H 1 7.022 0.020 . 1 . . . A 143 TRP HH2 . 18112 1 1064 . 1 1 143 143 TRP C C 13 177.113 0.400 . 1 . . . A 143 TRP C . 18112 1 1065 . 1 1 143 143 TRP CA C 13 59.803 0.400 . 1 . . . A 143 TRP CA . 18112 1 1066 . 1 1 143 143 TRP CB C 13 26.364 0.400 . 1 . . . A 143 TRP CB . 18112 1 1067 . 1 1 143 143 TRP CD1 C 13 128.937 0.400 . 1 . . . A 143 TRP CD1 . 18112 1 1068 . 1 1 143 143 TRP CE3 C 13 122.326 0.400 . 1 . . . A 143 TRP CE3 . 18112 1 1069 . 1 1 143 143 TRP CZ2 C 13 114.051 0.400 . 1 . . . A 143 TRP CZ2 . 18112 1 1070 . 1 1 143 143 TRP CZ3 C 13 121.706 0.400 . 1 . . . A 143 TRP CZ3 . 18112 1 1071 . 1 1 143 143 TRP CH2 C 13 123.218 0.400 . 1 . . . A 143 TRP CH2 . 18112 1 1072 . 1 1 143 143 TRP N N 15 123.598 0.400 . 1 . . . A 143 TRP N . 18112 1 1073 . 1 1 143 143 TRP NE1 N 15 131.019 0.400 . 1 . . . A 143 TRP NE1 . 18112 1 1074 . 1 1 144 144 LYS H H 1 7.196 0.020 . 1 . . . A 144 LYS H . 18112 1 1075 . 1 1 144 144 LYS HA H 1 2.719 0.020 . 1 . . . A 144 LYS HA . 18112 1 1076 . 1 1 144 144 LYS C C 13 177.243 0.400 . 1 . . . A 144 LYS C . 18112 1 1077 . 1 1 144 144 LYS CA C 13 58.851 0.400 . 1 . . . A 144 LYS CA . 18112 1 1078 . 1 1 144 144 LYS CB C 13 29.373 0.400 . 1 . . . A 144 LYS CB . 18112 1 1079 . 1 1 144 144 LYS N N 15 119.293 0.400 . 1 . . . A 144 LYS N . 18112 1 1080 . 1 1 145 145 LYS H H 1 7.389 0.020 . 1 . . . A 145 LYS H . 18112 1 1081 . 1 1 145 145 LYS HA H 1 3.490 0.020 . 1 . . . A 145 LYS HA . 18112 1 1082 . 1 1 145 145 LYS HB2 H 1 1.761 0.020 . 1 . . . A 145 LYS HB2 . 18112 1 1083 . 1 1 145 145 LYS HB3 H 1 1.761 0.020 . 1 . . . A 145 LYS HB3 . 18112 1 1084 . 1 1 145 145 LYS C C 13 179.149 0.400 . 1 . . . A 145 LYS C . 18112 1 1085 . 1 1 145 145 LYS CA C 13 59.271 0.400 . 1 . . . A 145 LYS CA . 18112 1 1086 . 1 1 145 145 LYS CB C 13 30.521 0.400 . 1 . . . A 145 LYS CB . 18112 1 1087 . 1 1 145 145 LYS N N 15 116.440 0.400 . 1 . . . A 145 LYS N . 18112 1 1088 . 1 1 146 146 ALA H H 1 7.112 0.020 . 1 . . . A 146 ALA H . 18112 1 1089 . 1 1 146 146 ALA HA H 1 3.932 0.020 . 1 . . . A 146 ALA HA . 18112 1 1090 . 1 1 146 146 ALA HB1 H 1 1.355 0.020 . 1 . . . A 146 ALA HB1 . 18112 1 1091 . 1 1 146 146 ALA HB2 H 1 1.355 0.020 . 1 . . . A 146 ALA HB2 . 18112 1 1092 . 1 1 146 146 ALA HB3 H 1 1.355 0.020 . 1 . . . A 146 ALA HB3 . 18112 1 1093 . 1 1 146 146 ALA C C 13 179.968 0.400 . 1 . . . A 146 ALA C . 18112 1 1094 . 1 1 146 146 ALA CA C 13 54.241 0.400 . 1 . . . A 146 ALA CA . 18112 1 1095 . 1 1 146 146 ALA CB C 13 17.689 0.400 . 1 . . . A 146 ALA CB . 18112 1 1096 . 1 1 146 146 ALA N N 15 118.582 0.400 . 1 . . . A 146 ALA N . 18112 1 1097 . 1 1 147 147 ILE H H 1 6.734 0.020 . 1 . . . A 147 ILE H . 18112 1 1098 . 1 1 147 147 ILE HA H 1 3.642 0.020 . 1 . . . A 147 ILE HA . 18112 1 1099 . 1 1 147 147 ILE HB H 1 1.406 0.020 . 1 . . . A 147 ILE HB . 18112 1 1100 . 1 1 147 147 ILE HG12 H 1 1.356 0.020 . 2 . . . A 147 ILE HG12 . 18112 1 1101 . 1 1 147 147 ILE HG13 H 1 0.721 0.020 . 2 . . . A 147 ILE HG13 . 18112 1 1102 . 1 1 147 147 ILE HG21 H 1 0.737 0.020 . 1 . . . A 147 ILE HG21 . 18112 1 1103 . 1 1 147 147 ILE HG22 H 1 0.737 0.020 . 1 . . . A 147 ILE HG22 . 18112 1 1104 . 1 1 147 147 ILE HG23 H 1 0.737 0.020 . 1 . . . A 147 ILE HG23 . 18112 1 1105 . 1 1 147 147 ILE HD11 H 1 -0.090 0.020 . 1 . . . A 147 ILE HD11 . 18112 1 1106 . 1 1 147 147 ILE HD12 H 1 -0.090 0.020 . 1 . . . A 147 ILE HD12 . 18112 1 1107 . 1 1 147 147 ILE HD13 H 1 -0.090 0.020 . 1 . . . A 147 ILE HD13 . 18112 1 1108 . 1 1 147 147 ILE C C 13 178.919 0.400 . 1 . . . A 147 ILE C . 18112 1 1109 . 1 1 147 147 ILE CA C 13 64.418 0.400 . 1 . . . A 147 ILE CA . 18112 1 1110 . 1 1 147 147 ILE CB C 13 36.519 0.400 . 1 . . . A 147 ILE CB . 18112 1 1111 . 1 1 147 147 ILE CG2 C 13 17.249 0.400 . 1 . . . A 147 ILE CG2 . 18112 1 1112 . 1 1 147 147 ILE CD1 C 13 13.086 0.400 . 1 . . . A 147 ILE CD1 . 18112 1 1113 . 1 1 147 147 ILE N N 15 118.537 0.400 . 1 . . . A 147 ILE N . 18112 1 1114 . 1 1 148 148 TYR H H 1 8.126 0.020 . 1 . . . A 148 TYR H . 18112 1 1115 . 1 1 148 148 TYR HA H 1 4.489 0.020 . 1 . . . A 148 TYR HA . 18112 1 1116 . 1 1 148 148 TYR HD1 H 1 6.713 0.020 . 1 . . . A 148 TYR HD1 . 18112 1 1117 . 1 1 148 148 TYR HD2 H 1 6.699 0.020 . 1 . . . A 148 TYR HD2 . 18112 1 1118 . 1 1 148 148 TYR HE1 H 1 5.945 0.020 . 1 . . . A 148 TYR HE1 . 18112 1 1119 . 1 1 148 148 TYR HE2 H 1 5.945 0.020 . 1 . . . A 148 TYR HE2 . 18112 1 1120 . 1 1 148 148 TYR C C 13 178.348 0.400 . 1 . . . A 148 TYR C . 18112 1 1121 . 1 1 148 148 TYR CA C 13 57.389 0.400 . 1 . . . A 148 TYR CA . 18112 1 1122 . 1 1 148 148 TYR CB C 13 35.280 0.400 . 1 . . . A 148 TYR CB . 18112 1 1123 . 1 1 148 148 TYR CD1 C 13 131.333 0.400 . 1 . . . A 148 TYR CD1 . 18112 1 1124 . 1 1 148 148 TYR CD2 C 13 131.333 0.400 . 1 . . . A 148 TYR CD2 . 18112 1 1125 . 1 1 148 148 TYR CE1 C 13 117.938 0.400 . 1 . . . A 148 TYR CE1 . 18112 1 1126 . 1 1 148 148 TYR CE2 C 13 117.938 0.400 . 1 . . . A 148 TYR CE2 . 18112 1 1127 . 1 1 148 148 TYR N N 15 121.033 0.400 . 1 . . . A 148 TYR N . 18112 1 1128 . 1 1 149 149 LYS H H 1 7.364 0.020 . 1 . . . A 149 LYS H . 18112 1 1129 . 1 1 149 149 LYS C C 13 178.051 0.400 . 1 . . . A 149 LYS C . 18112 1 1130 . 1 1 149 149 LYS CA C 13 59.036 0.400 . 1 . . . A 149 LYS CA . 18112 1 1131 . 1 1 149 149 LYS CB C 13 31.575 0.400 . 1 . . . A 149 LYS CB . 18112 1 1132 . 1 1 149 149 LYS N N 15 114.484 0.400 . 1 . . . A 149 LYS N . 18112 1 1133 . 1 1 150 150 VAL H H 1 7.254 0.020 . 1 . . . A 150 VAL H . 18112 1 1134 . 1 1 150 150 VAL HA H 1 3.770 0.020 . 1 . . . A 150 VAL HA . 18112 1 1135 . 1 1 150 150 VAL HB H 1 2.303 0.020 . 1 . . . A 150 VAL HB . 18112 1 1136 . 1 1 150 150 VAL HG11 H 1 1.023 0.020 . 1 . . . A 150 VAL HG11 . 18112 1 1137 . 1 1 150 150 VAL HG12 H 1 1.023 0.020 . 1 . . . A 150 VAL HG12 . 18112 1 1138 . 1 1 150 150 VAL HG13 H 1 1.023 0.020 . 1 . . . A 150 VAL HG13 . 18112 1 1139 . 1 1 150 150 VAL HG21 H 1 0.970 0.020 . 1 . . . A 150 VAL HG21 . 18112 1 1140 . 1 1 150 150 VAL HG22 H 1 0.970 0.020 . 1 . . . A 150 VAL HG22 . 18112 1 1141 . 1 1 150 150 VAL HG23 H 1 0.970 0.020 . 1 . . . A 150 VAL HG23 . 18112 1 1142 . 1 1 150 150 VAL C C 13 178.786 0.400 . 1 . . . A 150 VAL C . 18112 1 1143 . 1 1 150 150 VAL CA C 13 65.070 0.400 . 1 . . . A 150 VAL CA . 18112 1 1144 . 1 1 150 150 VAL CB C 13 29.515 0.400 . 1 . . . A 150 VAL CB . 18112 1 1145 . 1 1 150 150 VAL CG1 C 13 20.809 0.400 . 1 . . . A 150 VAL CG1 . 18112 1 1146 . 1 1 150 150 VAL CG2 C 13 21.547 0.400 . 1 . . . A 150 VAL CG2 . 18112 1 1147 . 1 1 150 150 VAL N N 15 117.812 0.400 . 1 . . . A 150 VAL N . 18112 1 1148 . 1 1 151 151 ILE H H 1 8.154 0.020 . 1 . . . A 151 ILE H . 18112 1 1149 . 1 1 151 151 ILE HB H 1 2.647 0.020 . 1 . . . A 151 ILE HB . 18112 1 1150 . 1 1 151 151 ILE HG21 H 1 1.210 0.020 . 1 . . . A 151 ILE HG21 . 18112 1 1151 . 1 1 151 151 ILE HG22 H 1 1.210 0.020 . 1 . . . A 151 ILE HG22 . 18112 1 1152 . 1 1 151 151 ILE HG23 H 1 1.210 0.020 . 1 . . . A 151 ILE HG23 . 18112 1 1153 . 1 1 151 151 ILE HD11 H 1 0.864 0.020 . 1 . . . A 151 ILE HD11 . 18112 1 1154 . 1 1 151 151 ILE HD12 H 1 0.864 0.020 . 1 . . . A 151 ILE HD12 . 18112 1 1155 . 1 1 151 151 ILE HD13 H 1 0.864 0.020 . 1 . . . A 151 ILE HD13 . 18112 1 1156 . 1 1 151 151 ILE C C 13 180.539 0.400 . 1 . . . A 151 ILE C . 18112 1 1157 . 1 1 151 151 ILE CA C 13 61.490 0.400 . 1 . . . A 151 ILE CA . 18112 1 1158 . 1 1 151 151 ILE CB C 13 33.994 0.400 . 1 . . . A 151 ILE CB . 18112 1 1159 . 1 1 151 151 ILE CG2 C 13 18.368 0.400 . 1 . . . A 151 ILE CG2 . 18112 1 1160 . 1 1 151 151 ILE CD1 C 13 10.153 0.400 . 1 . . . A 151 ILE CD1 . 18112 1 1161 . 1 1 151 151 ILE N N 15 117.884 0.400 . 1 . . . A 151 ILE N . 18112 1 1162 . 1 1 152 152 CYS H H 1 8.711 0.020 . 1 . . . A 152 CYS H . 18112 1 1163 . 1 1 152 152 CYS HA H 1 4.153 0.020 . 1 . . . A 152 CYS HA . 18112 1 1164 . 1 1 152 152 CYS HB2 H 1 2.147 0.020 . 2 . . . A 152 CYS HB2 . 18112 1 1165 . 1 1 152 152 CYS HB3 H 1 1.897 0.020 . 2 . . . A 152 CYS HB3 . 18112 1 1166 . 1 1 152 152 CYS C C 13 174.888 0.400 . 1 . . . A 152 CYS C . 18112 1 1167 . 1 1 152 152 CYS CA C 13 61.052 0.400 . 1 . . . A 152 CYS CA . 18112 1 1168 . 1 1 152 152 CYS CB C 13 36.364 0.400 . 1 . . . A 152 CYS CB . 18112 1 1169 . 1 1 152 152 CYS N N 15 118.649 0.400 . 1 . . . A 152 CYS N . 18112 1 1170 . 1 1 153 153 LYS H H 1 6.782 0.020 . 1 . . . A 153 LYS H . 18112 1 1171 . 1 1 153 153 LYS C C 13 177.389 0.400 . 1 . . . A 153 LYS C . 18112 1 1172 . 1 1 153 153 LYS CA C 13 56.243 0.400 . 1 . . . A 153 LYS CA . 18112 1 1173 . 1 1 153 153 LYS CB C 13 31.343 0.400 . 1 . . . A 153 LYS CB . 18112 1 1174 . 1 1 153 153 LYS N N 15 118.498 0.400 . 1 . . . A 153 LYS N . 18112 1 1175 . 1 1 154 154 LEU H H 1 7.616 0.020 . 1 . . . A 154 LEU H . 18112 1 1176 . 1 1 154 154 LEU HA H 1 4.576 0.020 . 1 . . . A 154 LEU HA . 18112 1 1177 . 1 1 154 154 LEU HG H 1 1.804 0.020 . 1 . . . A 154 LEU HG . 18112 1 1178 . 1 1 154 154 LEU HD11 H 1 1.019 0.020 . 1 . . . A 154 LEU HD11 . 18112 1 1179 . 1 1 154 154 LEU HD12 H 1 1.019 0.020 . 1 . . . A 154 LEU HD12 . 18112 1 1180 . 1 1 154 154 LEU HD13 H 1 1.019 0.020 . 1 . . . A 154 LEU HD13 . 18112 1 1181 . 1 1 154 154 LEU HD21 H 1 0.778 0.020 . 1 . . . A 154 LEU HD21 . 18112 1 1182 . 1 1 154 154 LEU HD22 H 1 0.778 0.020 . 1 . . . A 154 LEU HD22 . 18112 1 1183 . 1 1 154 154 LEU HD23 H 1 0.778 0.020 . 1 . . . A 154 LEU HD23 . 18112 1 1184 . 1 1 154 154 LEU C C 13 177.161 0.400 . 1 . . . A 154 LEU C . 18112 1 1185 . 1 1 154 154 LEU CA C 13 53.782 0.400 . 1 . . . A 154 LEU CA . 18112 1 1186 . 1 1 154 154 LEU CB C 13 40.881 0.400 . 1 . . . A 154 LEU CB . 18112 1 1187 . 1 1 154 154 LEU CD1 C 13 27.613 0.400 . 1 . . . A 154 LEU CD1 . 18112 1 1188 . 1 1 154 154 LEU CD2 C 13 22.133 0.400 . 1 . . . A 154 LEU CD2 . 18112 1 1189 . 1 1 154 154 LEU N N 15 117.318 0.400 . 1 . . . A 154 LEU N . 18112 1 1190 . 1 1 155 155 ASP H H 1 7.582 0.020 . 1 . . . A 155 ASP H . 18112 1 1191 . 1 1 155 155 ASP C C 13 177.094 0.400 . 1 . . . A 155 ASP C . 18112 1 1192 . 1 1 155 155 ASP CA C 13 55.732 0.400 . 1 . . . A 155 ASP CA . 18112 1 1193 . 1 1 155 155 ASP CB C 13 40.139 0.400 . 1 . . . A 155 ASP CB . 18112 1 1194 . 1 1 155 155 ASP N N 15 121.564 0.400 . 1 . . . A 155 ASP N . 18112 1 1195 . 1 1 156 156 SER H H 1 8.846 0.020 . 1 . . . A 156 SER H . 18112 1 1196 . 1 1 156 156 SER HA H 1 4.818 0.020 . 1 . . . A 156 SER HA . 18112 1 1197 . 1 1 156 156 SER HB2 H 1 4.220 0.020 . 2 . . . A 156 SER HB2 . 18112 1 1198 . 1 1 156 156 SER HB3 H 1 3.988 0.020 . 2 . . . A 156 SER HB3 . 18112 1 1199 . 1 1 156 156 SER C C 13 173.409 0.400 . 1 . . . A 156 SER C . 18112 1 1200 . 1 1 156 156 SER CA C 13 57.073 0.400 . 1 . . . A 156 SER CA . 18112 1 1201 . 1 1 156 156 SER CB C 13 65.150 0.400 . 1 . . . A 156 SER CB . 18112 1 1202 . 1 1 156 156 SER N N 15 117.352 0.400 . 1 . . . A 156 SER N . 18112 1 1203 . 1 1 157 157 GLU H H 1 8.356 0.020 . 1 . . . A 157 GLU H . 18112 1 1204 . 1 1 157 157 GLU HA H 1 4.038 0.020 . 1 . . . A 157 GLU HA . 18112 1 1205 . 1 1 157 157 GLU HB2 H 1 1.870 0.020 . 1 . . . A 157 GLU HB2 . 18112 1 1206 . 1 1 157 157 GLU HB3 H 1 1.870 0.020 . 1 . . . A 157 GLU HB3 . 18112 1 1207 . 1 1 157 157 GLU C C 13 176.332 0.400 . 1 . . . A 157 GLU C . 18112 1 1208 . 1 1 157 157 GLU CA C 13 56.464 0.400 . 1 . . . A 157 GLU CA . 18112 1 1209 . 1 1 157 157 GLU CB C 13 29.206 0.400 . 1 . . . A 157 GLU CB . 18112 1 1210 . 1 1 157 157 GLU N N 15 120.688 0.400 . 1 . . . A 157 GLU N . 18112 1 1211 . 1 1 158 158 VAL H H 1 8.561 0.020 . 1 . . . A 158 VAL H . 18112 1 1212 . 1 1 158 158 VAL HA H 1 3.449 0.020 . 1 . . . A 158 VAL HA . 18112 1 1213 . 1 1 158 158 VAL HB H 1 1.372 0.020 . 1 . . . A 158 VAL HB . 18112 1 1214 . 1 1 158 158 VAL HG11 H 1 0.177 0.020 . 1 . . . A 158 VAL HG11 . 18112 1 1215 . 1 1 158 158 VAL HG12 H 1 0.177 0.020 . 1 . . . A 158 VAL HG12 . 18112 1 1216 . 1 1 158 158 VAL HG13 H 1 0.177 0.020 . 1 . . . A 158 VAL HG13 . 18112 1 1217 . 1 1 158 158 VAL HG21 H 1 0.511 0.020 . 1 . . . A 158 VAL HG21 . 18112 1 1218 . 1 1 158 158 VAL HG22 H 1 0.511 0.020 . 1 . . . A 158 VAL HG22 . 18112 1 1219 . 1 1 158 158 VAL HG23 H 1 0.511 0.020 . 1 . . . A 158 VAL HG23 . 18112 1 1220 . 1 1 158 158 VAL C C 13 176.382 0.400 . 1 . . . A 158 VAL C . 18112 1 1221 . 1 1 158 158 VAL CA C 13 59.584 0.400 . 1 . . . A 158 VAL CA . 18112 1 1222 . 1 1 158 158 VAL CB C 13 31.160 0.400 . 1 . . . A 158 VAL CB . 18112 1 1223 . 1 1 158 158 VAL CG1 C 13 22.794 0.400 . 1 . . . A 158 VAL CG1 . 18112 1 1224 . 1 1 158 158 VAL CG2 C 13 22.614 0.400 . 1 . . . A 158 VAL CG2 . 18112 1 1225 . 1 1 158 158 VAL N N 15 126.906 0.400 . 1 . . . A 158 VAL N . 18112 1 1226 . 1 1 159 159 PRO HA H 1 4.403 0.020 . 1 . . . A 159 PRO HA . 18112 1 1227 . 1 1 159 159 PRO HB2 H 1 2.202 0.020 . 2 . . . A 159 PRO HB2 . 18112 1 1228 . 1 1 159 159 PRO HB3 H 1 1.986 0.020 . 2 . . . A 159 PRO HB3 . 18112 1 1229 . 1 1 159 159 PRO C C 13 176.757 0.400 . 1 . . . A 159 PRO C . 18112 1 1230 . 1 1 159 159 PRO CA C 13 63.845 0.400 . 1 . . . A 159 PRO CA . 18112 1 1231 . 1 1 159 159 PRO CB C 13 32.106 0.400 . 1 . . . A 159 PRO CB . 18112 1 1232 . 1 1 159 159 PRO CG C 13 27.458 0.400 . 1 . . . A 159 PRO CG . 18112 1 1233 . 1 1 159 159 PRO CD C 13 51.267 0.400 . 1 . . . A 159 PRO CD . 18112 1 1234 . 1 1 160 160 GLU H H 1 8.650 0.020 . 1 . . . A 160 GLU H . 18112 1 1235 . 1 1 160 160 GLU HA H 1 4.008 0.020 . 1 . . . A 160 GLU HA . 18112 1 1236 . 1 1 160 160 GLU HB2 H 1 2.074 0.020 . 1 . . . A 160 GLU HB2 . 18112 1 1237 . 1 1 160 160 GLU HB3 H 1 2.074 0.020 . 1 . . . A 160 GLU HB3 . 18112 1 1238 . 1 1 160 160 GLU C C 13 179.132 0.400 . 1 . . . A 160 GLU C . 18112 1 1239 . 1 1 160 160 GLU CA C 13 59.407 0.400 . 1 . . . A 160 GLU CA . 18112 1 1240 . 1 1 160 160 GLU CB C 13 28.991 0.400 . 1 . . . A 160 GLU CB . 18112 1 1241 . 1 1 160 160 GLU N N 15 122.904 0.400 . 1 . . . A 160 GLU N . 18112 1 1242 . 1 1 161 161 ILE H H 1 8.448 0.020 . 1 . . . A 161 ILE H . 18112 1 1243 . 1 1 161 161 ILE HA H 1 4.146 0.020 . 1 . . . A 161 ILE HA . 18112 1 1244 . 1 1 161 161 ILE HB H 1 1.865 0.020 . 1 . . . A 161 ILE HB . 18112 1 1245 . 1 1 161 161 ILE HG12 H 1 1.252 0.020 . 2 . . . A 161 ILE HG12 . 18112 1 1246 . 1 1 161 161 ILE HG13 H 1 1.102 0.020 . 2 . . . A 161 ILE HG13 . 18112 1 1247 . 1 1 161 161 ILE HG21 H 1 0.722 0.020 . 1 . . . A 161 ILE HG21 . 18112 1 1248 . 1 1 161 161 ILE HG22 H 1 0.722 0.020 . 1 . . . A 161 ILE HG22 . 18112 1 1249 . 1 1 161 161 ILE HG23 H 1 0.722 0.020 . 1 . . . A 161 ILE HG23 . 18112 1 1250 . 1 1 161 161 ILE HD11 H 1 0.825 0.020 . 1 . . . A 161 ILE HD11 . 18112 1 1251 . 1 1 161 161 ILE HD12 H 1 0.825 0.020 . 1 . . . A 161 ILE HD12 . 18112 1 1252 . 1 1 161 161 ILE HD13 H 1 0.825 0.020 . 1 . . . A 161 ILE HD13 . 18112 1 1253 . 1 1 161 161 ILE C C 13 176.176 0.400 . 1 . . . A 161 ILE C . 18112 1 1254 . 1 1 161 161 ILE CA C 13 62.034 0.400 . 1 . . . A 161 ILE CA . 18112 1 1255 . 1 1 161 161 ILE CB C 13 37.113 0.400 . 1 . . . A 161 ILE CB . 18112 1 1256 . 1 1 161 161 ILE CG1 C 13 28.796 0.400 . 1 . . . A 161 ILE CG1 . 18112 1 1257 . 1 1 161 161 ILE CG2 C 13 18.464 0.400 . 1 . . . A 161 ILE CG2 . 18112 1 1258 . 1 1 161 161 ILE CD1 C 13 13.982 0.400 . 1 . . . A 161 ILE CD1 . 18112 1 1259 . 1 1 161 161 ILE N N 15 119.782 0.400 . 1 . . . A 161 ILE N . 18112 1 1260 . 1 1 162 162 PHE H H 1 8.145 0.020 . 1 . . . A 162 PHE H . 18112 1 1261 . 1 1 162 162 PHE C C 13 176.115 0.400 . 1 . . . A 162 PHE C . 18112 1 1262 . 1 1 162 162 PHE CA C 13 61.009 0.400 . 1 . . . A 162 PHE CA . 18112 1 1263 . 1 1 162 162 PHE CB C 13 38.394 0.400 . 1 . . . A 162 PHE CB . 18112 1 1264 . 1 1 162 162 PHE N N 15 117.594 0.400 . 1 . . . A 162 PHE N . 18112 1 1265 . 1 1 163 163 LYS H H 1 8.232 0.020 . 1 . . . A 163 LYS H . 18112 1 1266 . 1 1 163 163 LYS C C 13 178.196 0.400 . 1 . . . A 163 LYS C . 18112 1 1267 . 1 1 163 163 LYS CA C 13 58.136 0.400 . 1 . . . A 163 LYS CA . 18112 1 1268 . 1 1 163 163 LYS CB C 13 31.694 0.400 . 1 . . . A 163 LYS CB . 18112 1 1269 . 1 1 163 163 LYS N N 15 116.083 0.400 . 1 . . . A 163 LYS N . 18112 1 1270 . 1 1 164 164 SER H H 1 7.708 0.020 . 1 . . . A 164 SER H . 18112 1 1271 . 1 1 164 164 SER CA C 13 55.205 0.400 . 1 . . . A 164 SER CA . 18112 1 1272 . 1 1 164 164 SER CB C 13 63.265 0.400 . 1 . . . A 164 SER CB . 18112 1 1273 . 1 1 164 164 SER N N 15 113.680 0.400 . 1 . . . A 164 SER N . 18112 1 1274 . 1 1 165 165 PRO HA H 1 4.580 0.020 . 1 . . . A 165 PRO HA . 18112 1 1275 . 1 1 165 165 PRO HB2 H 1 2.252 0.020 . 2 . . . A 165 PRO HB2 . 18112 1 1276 . 1 1 165 165 PRO HB3 H 1 1.965 0.020 . 2 . . . A 165 PRO HB3 . 18112 1 1277 . 1 1 165 165 PRO C C 13 177.541 0.400 . 1 . . . A 165 PRO C . 18112 1 1278 . 1 1 165 165 PRO CA C 13 63.950 0.400 . 1 . . . A 165 PRO CA . 18112 1 1279 . 1 1 165 165 PRO CB C 13 30.686 0.400 . 1 . . . A 165 PRO CB . 18112 1 1280 . 1 1 166 166 ASN H H 1 8.216 0.020 . 1 . . . A 166 ASN H . 18112 1 1281 . 1 1 166 166 ASN HA H 1 5.029 0.020 . 1 . . . A 166 ASN HA . 18112 1 1282 . 1 1 166 166 ASN HB2 H 1 2.943 0.020 . 2 . . . A 166 ASN HB2 . 18112 1 1283 . 1 1 166 166 ASN HB3 H 1 2.499 0.020 . 2 . . . A 166 ASN HB3 . 18112 1 1284 . 1 1 166 166 ASN C C 13 175.811 0.400 . 1 . . . A 166 ASN C . 18112 1 1285 . 1 1 166 166 ASN CA C 13 51.962 0.400 . 1 . . . A 166 ASN CA . 18112 1 1286 . 1 1 166 166 ASN CB C 13 37.915 0.400 . 1 . . . A 166 ASN CB . 18112 1 1287 . 1 1 166 166 ASN N N 15 116.304 0.400 . 1 . . . A 166 ASN N . 18112 1 1288 . 1 1 167 167 CYS H H 1 7.246 0.020 . 1 . . . A 167 CYS H . 18112 1 1289 . 1 1 167 167 CYS HA H 1 4.011 0.020 . 1 . . . A 167 CYS HA . 18112 1 1290 . 1 1 167 167 CYS HB2 H 1 3.329 0.020 . 2 . . . A 167 CYS HB2 . 18112 1 1291 . 1 1 167 167 CYS HB3 H 1 2.530 0.020 . 2 . . . A 167 CYS HB3 . 18112 1 1292 . 1 1 167 167 CYS C C 13 175.057 0.400 . 1 . . . A 167 CYS C . 18112 1 1293 . 1 1 167 167 CYS CA C 13 59.816 0.400 . 1 . . . A 167 CYS CA . 18112 1 1294 . 1 1 167 167 CYS CB C 13 27.446 0.400 . 1 . . . A 167 CYS CB . 18112 1 1295 . 1 1 167 167 CYS N N 15 116.078 0.400 . 1 . . . A 167 CYS N . 18112 1 1296 . 1 1 168 168 LEU H H 1 8.451 0.020 . 1 . . . A 168 LEU H . 18112 1 1297 . 1 1 168 168 LEU HA H 1 3.880 0.020 . 1 . . . A 168 LEU HA . 18112 1 1298 . 1 1 168 168 LEU HB2 H 1 1.735 0.020 . 2 . . . A 168 LEU HB2 . 18112 1 1299 . 1 1 168 168 LEU HB3 H 1 1.432 0.020 . 2 . . . A 168 LEU HB3 . 18112 1 1300 . 1 1 168 168 LEU HD11 H 1 0.307 0.020 . 1 . . . A 168 LEU HD11 . 18112 1 1301 . 1 1 168 168 LEU HD12 H 1 0.307 0.020 . 1 . . . A 168 LEU HD12 . 18112 1 1302 . 1 1 168 168 LEU HD13 H 1 0.307 0.020 . 1 . . . A 168 LEU HD13 . 18112 1 1303 . 1 1 168 168 LEU HD21 H 1 0.792 0.020 . 1 . . . A 168 LEU HD21 . 18112 1 1304 . 1 1 168 168 LEU HD22 H 1 0.792 0.020 . 1 . . . A 168 LEU HD22 . 18112 1 1305 . 1 1 168 168 LEU HD23 H 1 0.792 0.020 . 1 . . . A 168 LEU HD23 . 18112 1 1306 . 1 1 168 168 LEU C C 13 178.541 0.400 . 1 . . . A 168 LEU C . 18112 1 1307 . 1 1 168 168 LEU CA C 13 57.734 0.400 . 1 . . . A 168 LEU CA . 18112 1 1308 . 1 1 168 168 LEU CB C 13 38.825 0.400 . 1 . . . A 168 LEU CB . 18112 1 1309 . 1 1 168 168 LEU CD1 C 13 25.677 0.400 . 1 . . . A 168 LEU CD1 . 18112 1 1310 . 1 1 168 168 LEU CD2 C 13 23.468 0.400 . 1 . . . A 168 LEU CD2 . 18112 1 1311 . 1 1 168 168 LEU N N 15 120.082 0.400 . 1 . . . A 168 LEU N . 18112 1 1312 . 1 1 169 169 GLN H H 1 7.665 0.020 . 1 . . . A 169 GLN H . 18112 1 1313 . 1 1 169 169 GLN HA H 1 4.064 0.020 . 1 . . . A 169 GLN HA . 18112 1 1314 . 1 1 169 169 GLN HB2 H 1 2.081 0.020 . 1 . . . A 169 GLN HB2 . 18112 1 1315 . 1 1 169 169 GLN HB3 H 1 2.081 0.020 . 1 . . . A 169 GLN HB3 . 18112 1 1316 . 1 1 169 169 GLN C C 13 177.378 0.400 . 1 . . . A 169 GLN C . 18112 1 1317 . 1 1 169 169 GLN CA C 13 57.675 0.400 . 1 . . . A 169 GLN CA . 18112 1 1318 . 1 1 169 169 GLN CB C 13 27.710 0.400 . 1 . . . A 169 GLN CB . 18112 1 1319 . 1 1 169 169 GLN N N 15 116.700 0.400 . 1 . . . A 169 GLN N . 18112 1 1320 . 1 1 170 170 GLU H H 1 7.405 0.020 . 1 . . . A 170 GLU H . 18112 1 1321 . 1 1 170 170 GLU HA H 1 4.214 0.020 . 1 . . . A 170 GLU HA . 18112 1 1322 . 1 1 170 170 GLU HB2 H 1 2.033 0.020 . 2 . . . A 170 GLU HB2 . 18112 1 1323 . 1 1 170 170 GLU HB3 H 1 1.826 0.020 . 2 . . . A 170 GLU HB3 . 18112 1 1324 . 1 1 170 170 GLU C C 13 177.730 0.400 . 1 . . . A 170 GLU C . 18112 1 1325 . 1 1 170 170 GLU CA C 13 56.899 0.400 . 1 . . . A 170 GLU CA . 18112 1 1326 . 1 1 170 170 GLU N N 15 116.701 0.400 . 1 . . . A 170 GLU N . 18112 1 1327 . 1 1 171 171 LEU H H 1 7.823 0.020 . 1 . . . A 171 LEU H . 18112 1 1328 . 1 1 171 171 LEU HA H 1 4.209 0.020 . 1 . . . A 171 LEU HA . 18112 1 1329 . 1 1 171 171 LEU HB2 H 1 1.602 0.020 . 2 . . . A 171 LEU HB2 . 18112 1 1330 . 1 1 171 171 LEU HB3 H 1 1.548 0.020 . 2 . . . A 171 LEU HB3 . 18112 1 1331 . 1 1 171 171 LEU HG H 1 1.503 0.020 . 1 . . . A 171 LEU HG . 18112 1 1332 . 1 1 171 171 LEU HD11 H 1 0.882 0.020 . 1 . . . A 171 LEU HD11 . 18112 1 1333 . 1 1 171 171 LEU HD12 H 1 0.882 0.020 . 1 . . . A 171 LEU HD12 . 18112 1 1334 . 1 1 171 171 LEU HD13 H 1 0.882 0.020 . 1 . . . A 171 LEU HD13 . 18112 1 1335 . 1 1 171 171 LEU HD21 H 1 0.661 0.020 . 1 . . . A 171 LEU HD21 . 18112 1 1336 . 1 1 171 171 LEU HD22 H 1 0.661 0.020 . 1 . . . A 171 LEU HD22 . 18112 1 1337 . 1 1 171 171 LEU HD23 H 1 0.661 0.020 . 1 . . . A 171 LEU HD23 . 18112 1 1338 . 1 1 171 171 LEU C C 13 177.005 0.400 . 1 . . . A 171 LEU C . 18112 1 1339 . 1 1 171 171 LEU CA C 13 55.870 0.400 . 1 . . . A 171 LEU CA . 18112 1 1340 . 1 1 171 171 LEU CB C 13 43.680 0.400 . 1 . . . A 171 LEU CB . 18112 1 1341 . 1 1 171 171 LEU CD1 C 13 25.906 0.400 . 1 . . . A 171 LEU CD1 . 18112 1 1342 . 1 1 171 171 LEU CD2 C 13 22.670 0.400 . 1 . . . A 171 LEU CD2 . 18112 1 1343 . 1 1 171 171 LEU N N 15 118.021 0.400 . 1 . . . A 171 LEU N . 18112 1 1344 . 1 1 172 172 LEU H H 1 7.306 0.020 . 1 . . . A 172 LEU H . 18112 1 1345 . 1 1 172 172 LEU HA H 1 4.571 0.020 . 1 . . . A 172 LEU HA . 18112 1 1346 . 1 1 172 172 LEU HB2 H 1 1.694 0.020 . 2 . . . A 172 LEU HB2 . 18112 1 1347 . 1 1 172 172 LEU HB3 H 1 1.367 0.020 . 2 . . . A 172 LEU HB3 . 18112 1 1348 . 1 1 172 172 LEU HG H 1 1.029 0.020 . 1 . . . A 172 LEU HG . 18112 1 1349 . 1 1 172 172 LEU HD11 H 1 0.756 0.020 . 1 . . . A 172 LEU HD11 . 18112 1 1350 . 1 1 172 172 LEU HD12 H 1 0.756 0.020 . 1 . . . A 172 LEU HD12 . 18112 1 1351 . 1 1 172 172 LEU HD13 H 1 0.756 0.020 . 1 . . . A 172 LEU HD13 . 18112 1 1352 . 1 1 172 172 LEU HD21 H 1 0.844 0.020 . 1 . . . A 172 LEU HD21 . 18112 1 1353 . 1 1 172 172 LEU HD22 H 1 0.844 0.020 . 1 . . . A 172 LEU HD22 . 18112 1 1354 . 1 1 172 172 LEU HD23 H 1 0.844 0.020 . 1 . . . A 172 LEU HD23 . 18112 1 1355 . 1 1 172 172 LEU C C 13 176.411 0.400 . 1 . . . A 172 LEU C . 18112 1 1356 . 1 1 172 172 LEU CA C 13 53.972 0.400 . 1 . . . A 172 LEU CA . 18112 1 1357 . 1 1 172 172 LEU CB C 13 40.483 0.400 . 1 . . . A 172 LEU CB . 18112 1 1358 . 1 1 172 172 LEU CG C 13 25.690 0.400 . 1 . . . A 172 LEU CG . 18112 1 1359 . 1 1 172 172 LEU CD1 C 13 22.477 0.400 . 1 . . . A 172 LEU CD1 . 18112 1 1360 . 1 1 172 172 LEU CD2 C 13 25.711 0.400 . 1 . . . A 172 LEU CD2 . 18112 1 1361 . 1 1 172 172 LEU N N 15 117.580 0.400 . 1 . . . A 172 LEU N . 18112 1 1362 . 1 1 173 173 HIS H H 1 8.028 0.020 . 1 . . . A 173 HIS H . 18112 1 1363 . 1 1 173 173 HIS C C 13 179.022 0.400 . 1 . . . A 173 HIS C . 18112 1 1364 . 1 1 173 173 HIS CA C 13 56.693 0.400 . 1 . . . A 173 HIS CA . 18112 1 1365 . 1 1 173 173 HIS CB C 13 29.371 0.400 . 1 . . . A 173 HIS CB . 18112 1 1366 . 1 1 173 173 HIS N N 15 123.310 0.400 . 1 . . . A 173 HIS N . 18112 1 stop_ save_