data_17736 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17736 _Entry.Title ; Solution NMR structure of the AHSA1-like protein CHU_1110 from Cytophaga hutchinsonii, Northeast Structural Genomics Consortium Target ChR152. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-06-28 _Entry.Accession_date 2011-06-28 _Entry.Last_release_date 2011-07-18 _Entry.Original_release_date 2011-07-18 _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 _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 Yunhuang Yang . . . 17736 2 Theresa Ramelot . A. . 17736 3 Dan Lee . . . 17736 4 Colleen Ciccosanti . . . 17736 5 Thomas Acton . B. . 17736 6 Rong Xiao . . . 17736 7 John Everett . K. . 17736 8 Gaetano Montelione . T. . 17736 9 Michael Kennedy . A. . 17736 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 . 'PSI, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' . 17736 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Bacteroides Vulgatus' . 17736 'conjugate transposon protein' . 17736 NESG . 17736 'NMR structure' . 17736 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17736 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 757 17736 '15N chemical shifts' 182 17736 '1H chemical shifts' 1189 17736 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-07-18 2011-06-28 original author . 17736 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LF2 'BMRB Entry Tracking System' 17736 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 17736 _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 'Solution NMR structure of the AHSA1-like protein CHU_1110 from Cytophaga hutchinsonii, Northeast Structural Genomics Consortium Target ChR152.' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _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 Yunhuang Yang . . . 17736 1 2 Theresa Ramelot . A. . 17736 1 3 Dan Lee . . . 17736 1 4 Colleen Ciccosanti . . . 17736 1 5 Thomas Acton . B. . 17736 1 6 Rong Xiao . . . 17736 1 7 John Everett . K. . 17736 1 8 Gaetano Montelione . T. . 17736 1 9 Michael Kennedy . A. . 17736 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17736 _Assembly.ID 1 _Assembly.Name 'AHSA1-like protein CHU_1110' _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 'AHSA1-like protein CHU_1110' 1 $AHSA1-like_protein_CHU_1110_from_Cytophaga_hutchinsonii A . yes native no no . . . 17736 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_AHSA1-like_protein_CHU_1110_from_Cytophaga_hutchinsonii _Entity.Sf_category entity _Entity.Sf_framecode AHSA1-like_protein_CHU_1110_from_Cytophaga_hutchinsonii _Entity.Entry_ID 17736 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name AHSA1-like_protein_CHU_1110_from_Cytophaga_hutchinsonii _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 ; MRTDLALDFSVNKENKTITI KREFAAVRAIVWEAFTRAEI LDQWWAPKPWKAKTKSMDFK EGGTWLYAMVGPNGEEHWSI CEYAIIKPIERFTGKDGFTD ASGKLNTEMPRSNWDMRFID KGEITEVQYHISYDDVAQLE ATIQMGFKEGITMAMENLDE LLVSGKKLEHHHHHH ; _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 175 _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 20303.1 _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 2LF2 . "Solution Nmr Structure Of The Ahsa1-Like Protein Chu_1110 From Cytophaga Hutchinsonii, Northeast Structural Genomics Consortium" . . . . . 100.00 175 100.00 100.00 2.79e-126 . . . . 17736 1 2 no GB ABG58386 . "conserved hypothetical protein [Cytophaga hutchinsonii ATCC 33406]" . . . . . 95.43 167 100.00 100.00 4.25e-119 . . . . 17736 1 3 no REF WP_011584501 . "ATPase [Cytophaga hutchinsonii]" . . . . . 95.43 167 100.00 100.00 4.25e-119 . . . . 17736 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 . 17736 1 2 . ARG . 17736 1 3 . THR . 17736 1 4 . ASP . 17736 1 5 . LEU . 17736 1 6 . ALA . 17736 1 7 . LEU . 17736 1 8 . ASP . 17736 1 9 . PHE . 17736 1 10 . SER . 17736 1 11 . VAL . 17736 1 12 . ASN . 17736 1 13 . LYS . 17736 1 14 . GLU . 17736 1 15 . ASN . 17736 1 16 . LYS . 17736 1 17 . THR . 17736 1 18 . ILE . 17736 1 19 . THR . 17736 1 20 . ILE . 17736 1 21 . LYS . 17736 1 22 . ARG . 17736 1 23 . GLU . 17736 1 24 . PHE . 17736 1 25 . ALA . 17736 1 26 . ALA . 17736 1 27 . VAL . 17736 1 28 . ARG . 17736 1 29 . ALA . 17736 1 30 . ILE . 17736 1 31 . VAL . 17736 1 32 . TRP . 17736 1 33 . GLU . 17736 1 34 . ALA . 17736 1 35 . PHE . 17736 1 36 . THR . 17736 1 37 . ARG . 17736 1 38 . ALA . 17736 1 39 . GLU . 17736 1 40 . ILE . 17736 1 41 . LEU . 17736 1 42 . ASP . 17736 1 43 . GLN . 17736 1 44 . TRP . 17736 1 45 . TRP . 17736 1 46 . ALA . 17736 1 47 . PRO . 17736 1 48 . LYS . 17736 1 49 . PRO . 17736 1 50 . TRP . 17736 1 51 . LYS . 17736 1 52 . ALA . 17736 1 53 . LYS . 17736 1 54 . THR . 17736 1 55 . LYS . 17736 1 56 . SER . 17736 1 57 . MET . 17736 1 58 . ASP . 17736 1 59 . PHE . 17736 1 60 . LYS . 17736 1 61 . GLU . 17736 1 62 . GLY . 17736 1 63 . GLY . 17736 1 64 . THR . 17736 1 65 . TRP . 17736 1 66 . LEU . 17736 1 67 . TYR . 17736 1 68 . ALA . 17736 1 69 . MET . 17736 1 70 . VAL . 17736 1 71 . GLY . 17736 1 72 . PRO . 17736 1 73 . ASN . 17736 1 74 . GLY . 17736 1 75 . GLU . 17736 1 76 . GLU . 17736 1 77 . HIS . 17736 1 78 . TRP . 17736 1 79 . SER . 17736 1 80 . ILE . 17736 1 81 . CYS . 17736 1 82 . GLU . 17736 1 83 . TYR . 17736 1 84 . ALA . 17736 1 85 . ILE . 17736 1 86 . ILE . 17736 1 87 . LYS . 17736 1 88 . PRO . 17736 1 89 . ILE . 17736 1 90 . GLU . 17736 1 91 . ARG . 17736 1 92 . PHE . 17736 1 93 . THR . 17736 1 94 . GLY . 17736 1 95 . LYS . 17736 1 96 . ASP . 17736 1 97 . GLY . 17736 1 98 . PHE . 17736 1 99 . THR . 17736 1 100 . ASP . 17736 1 101 . ALA . 17736 1 102 . SER . 17736 1 103 . GLY . 17736 1 104 . LYS . 17736 1 105 . LEU . 17736 1 106 . ASN . 17736 1 107 . THR . 17736 1 108 . GLU . 17736 1 109 . MET . 17736 1 110 . PRO . 17736 1 111 . ARG . 17736 1 112 . SER . 17736 1 113 . ASN . 17736 1 114 . TRP . 17736 1 115 . ASP . 17736 1 116 . MET . 17736 1 117 . ARG . 17736 1 118 . PHE . 17736 1 119 . ILE . 17736 1 120 . ASP . 17736 1 121 . LYS . 17736 1 122 . GLY . 17736 1 123 . GLU . 17736 1 124 . ILE . 17736 1 125 . THR . 17736 1 126 . GLU . 17736 1 127 . VAL . 17736 1 128 . GLN . 17736 1 129 . TYR . 17736 1 130 . HIS . 17736 1 131 . ILE . 17736 1 132 . SER . 17736 1 133 . TYR . 17736 1 134 . ASP . 17736 1 135 . ASP . 17736 1 136 . VAL . 17736 1 137 . ALA . 17736 1 138 . GLN . 17736 1 139 . LEU . 17736 1 140 . GLU . 17736 1 141 . ALA . 17736 1 142 . THR . 17736 1 143 . ILE . 17736 1 144 . GLN . 17736 1 145 . MET . 17736 1 146 . GLY . 17736 1 147 . PHE . 17736 1 148 . LYS . 17736 1 149 . GLU . 17736 1 150 . GLY . 17736 1 151 . ILE . 17736 1 152 . THR . 17736 1 153 . MET . 17736 1 154 . ALA . 17736 1 155 . MET . 17736 1 156 . GLU . 17736 1 157 . ASN . 17736 1 158 . LEU . 17736 1 159 . ASP . 17736 1 160 . GLU . 17736 1 161 . LEU . 17736 1 162 . LEU . 17736 1 163 . VAL . 17736 1 164 . SER . 17736 1 165 . GLY . 17736 1 166 . LYS . 17736 1 167 . LYS . 17736 1 168 . LEU . 17736 1 169 . GLU . 17736 1 170 . HIS . 17736 1 171 . HIS . 17736 1 172 . HIS . 17736 1 173 . HIS . 17736 1 174 . HIS . 17736 1 175 . HIS . 17736 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 17736 1 . ARG 2 2 17736 1 . THR 3 3 17736 1 . ASP 4 4 17736 1 . LEU 5 5 17736 1 . ALA 6 6 17736 1 . LEU 7 7 17736 1 . ASP 8 8 17736 1 . PHE 9 9 17736 1 . SER 10 10 17736 1 . VAL 11 11 17736 1 . ASN 12 12 17736 1 . LYS 13 13 17736 1 . GLU 14 14 17736 1 . ASN 15 15 17736 1 . LYS 16 16 17736 1 . THR 17 17 17736 1 . ILE 18 18 17736 1 . THR 19 19 17736 1 . ILE 20 20 17736 1 . LYS 21 21 17736 1 . ARG 22 22 17736 1 . GLU 23 23 17736 1 . PHE 24 24 17736 1 . ALA 25 25 17736 1 . ALA 26 26 17736 1 . VAL 27 27 17736 1 . ARG 28 28 17736 1 . ALA 29 29 17736 1 . ILE 30 30 17736 1 . VAL 31 31 17736 1 . TRP 32 32 17736 1 . GLU 33 33 17736 1 . ALA 34 34 17736 1 . PHE 35 35 17736 1 . THR 36 36 17736 1 . ARG 37 37 17736 1 . ALA 38 38 17736 1 . GLU 39 39 17736 1 . ILE 40 40 17736 1 . LEU 41 41 17736 1 . ASP 42 42 17736 1 . GLN 43 43 17736 1 . TRP 44 44 17736 1 . TRP 45 45 17736 1 . ALA 46 46 17736 1 . PRO 47 47 17736 1 . LYS 48 48 17736 1 . PRO 49 49 17736 1 . TRP 50 50 17736 1 . LYS 51 51 17736 1 . ALA 52 52 17736 1 . LYS 53 53 17736 1 . THR 54 54 17736 1 . LYS 55 55 17736 1 . SER 56 56 17736 1 . MET 57 57 17736 1 . ASP 58 58 17736 1 . PHE 59 59 17736 1 . LYS 60 60 17736 1 . GLU 61 61 17736 1 . GLY 62 62 17736 1 . GLY 63 63 17736 1 . THR 64 64 17736 1 . TRP 65 65 17736 1 . LEU 66 66 17736 1 . TYR 67 67 17736 1 . ALA 68 68 17736 1 . MET 69 69 17736 1 . VAL 70 70 17736 1 . GLY 71 71 17736 1 . PRO 72 72 17736 1 . ASN 73 73 17736 1 . GLY 74 74 17736 1 . GLU 75 75 17736 1 . GLU 76 76 17736 1 . HIS 77 77 17736 1 . TRP 78 78 17736 1 . SER 79 79 17736 1 . ILE 80 80 17736 1 . CYS 81 81 17736 1 . GLU 82 82 17736 1 . TYR 83 83 17736 1 . ALA 84 84 17736 1 . ILE 85 85 17736 1 . ILE 86 86 17736 1 . LYS 87 87 17736 1 . PRO 88 88 17736 1 . ILE 89 89 17736 1 . GLU 90 90 17736 1 . ARG 91 91 17736 1 . PHE 92 92 17736 1 . THR 93 93 17736 1 . GLY 94 94 17736 1 . LYS 95 95 17736 1 . ASP 96 96 17736 1 . GLY 97 97 17736 1 . PHE 98 98 17736 1 . THR 99 99 17736 1 . ASP 100 100 17736 1 . ALA 101 101 17736 1 . SER 102 102 17736 1 . GLY 103 103 17736 1 . LYS 104 104 17736 1 . LEU 105 105 17736 1 . ASN 106 106 17736 1 . THR 107 107 17736 1 . GLU 108 108 17736 1 . MET 109 109 17736 1 . PRO 110 110 17736 1 . ARG 111 111 17736 1 . SER 112 112 17736 1 . ASN 113 113 17736 1 . TRP 114 114 17736 1 . ASP 115 115 17736 1 . MET 116 116 17736 1 . ARG 117 117 17736 1 . PHE 118 118 17736 1 . ILE 119 119 17736 1 . ASP 120 120 17736 1 . LYS 121 121 17736 1 . GLY 122 122 17736 1 . GLU 123 123 17736 1 . ILE 124 124 17736 1 . THR 125 125 17736 1 . GLU 126 126 17736 1 . VAL 127 127 17736 1 . GLN 128 128 17736 1 . TYR 129 129 17736 1 . HIS 130 130 17736 1 . ILE 131 131 17736 1 . SER 132 132 17736 1 . TYR 133 133 17736 1 . ASP 134 134 17736 1 . ASP 135 135 17736 1 . VAL 136 136 17736 1 . ALA 137 137 17736 1 . GLN 138 138 17736 1 . LEU 139 139 17736 1 . GLU 140 140 17736 1 . ALA 141 141 17736 1 . THR 142 142 17736 1 . ILE 143 143 17736 1 . GLN 144 144 17736 1 . MET 145 145 17736 1 . GLY 146 146 17736 1 . PHE 147 147 17736 1 . LYS 148 148 17736 1 . GLU 149 149 17736 1 . GLY 150 150 17736 1 . ILE 151 151 17736 1 . THR 152 152 17736 1 . MET 153 153 17736 1 . ALA 154 154 17736 1 . MET 155 155 17736 1 . GLU 156 156 17736 1 . ASN 157 157 17736 1 . LEU 158 158 17736 1 . ASP 159 159 17736 1 . GLU 160 160 17736 1 . LEU 161 161 17736 1 . LEU 162 162 17736 1 . VAL 163 163 17736 1 . SER 164 164 17736 1 . GLY 165 165 17736 1 . LYS 166 166 17736 1 . LYS 167 167 17736 1 . LEU 168 168 17736 1 . GLU 169 169 17736 1 . HIS 170 170 17736 1 . HIS 171 171 17736 1 . HIS 172 172 17736 1 . HIS 173 173 17736 1 . HIS 174 174 17736 1 . HIS 175 175 17736 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 17736 _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 $AHSA1-like_protein_CHU_1110_from_Cytophaga_hutchinsonii . 985 organism . 'Cytophaga hutchinsonii' 'CFB group bacteria' . . bacteria . Cytophaga hutchinsonii 'ATCC 33406 / NCIMB 9469' . . . . . . . . . . . . . . . CHU_1110 . . . . 17736 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 17736 _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 $AHSA1-like_protein_CHU_1110_from_Cytophaga_hutchinsonii . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21(DE3) pMGK' . . . . . . . . . . . . . . . pET21-23C . . . 'C-tag sequence: LEHHHHHH' . . 17736 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_NC_sample _Sample.Sf_category sample _Sample.Sf_framecode NC_sample _Sample.Entry_ID 17736 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 'AHSA1-like protein CHU_1110 from Cytophaga hutchinsonii' '[U-100% 13C; U-100% 15N]' . . 1 $AHSA1-like_protein_CHU_1110_from_Cytophaga_hutchinsonii . . 1.05 . . mM 0.11 . . . 17736 1 2 Tris-HCl 'natural abundance' . . . . . . 10 . . mM 1 . . . 17736 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM 5 . . . 17736 1 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % 0.001 . . . 17736 1 5 DTT 'natural abundance' . . . . . . 5 . . mM 0.25 . . . 17736 1 6 H20 'natural abundance' . . . . . . 90 . . % . . . . 17736 1 7 D20 'natural abundance' . . . . . . 10 . . % . . . . 17736 1 stop_ save_ save_NC5_sample _Sample.Sf_category sample _Sample.Sf_framecode NC5_sample _Sample.Entry_ID 17736 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 'AHSA1-like protein CHU_1110 from Cytophaga hutchinsonii' '[U-5% 13C; U-100% 15N]' . . 1 $AHSA1-like_protein_CHU_1110_from_Cytophaga_hutchinsonii . . 1.07 . . mM 0.11 . . . 17736 2 2 Tris-HCl 'natural abundance' . . . . . . 10 . . mM 1 . . . 17736 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM 5 . . . 17736 2 4 DTT 'natural abundance' . . . . . . 10 . . mM 0.5 . . . 17736 2 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % 0.001 . . . 17736 2 6 H20 'natural abundance' . . . . . . 90 . . % . . . . 17736 2 7 D20 'natural abundance' . . . . . . 10 . . % . . . . 17736 2 stop_ save_ save_NC_sample_in_D2O _Sample.Sf_category sample _Sample.Sf_framecode NC_sample_in_D2O _Sample.Entry_ID 17736 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'AHSA1-like protein CHU_1110 from Cytophaga hutchinsonii' '[U-100% 13C; U-100% 15N]' . . 1 $AHSA1-like_protein_CHU_1110_from_Cytophaga_hutchinsonii . . 1.05 . . mM 0.11 . . . 17736 3 2 Tris-HCl 'natural abundance' . . . . . . 10 . . mM 1 . . . 17736 3 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM 5 . . . 17736 3 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % 0.001 . . . 17736 3 5 DTT 'natural abundance' . . . . . . 10 . . mM 0.5 . . . 17736 3 6 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17736 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 17736 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.2 0.02 M 17736 1 pH 7.5 0.1 pH 17736 1 pressure 1 . atm 17736 1 temperature 298 1 K 17736 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17736 _Software.ID 1 _Software.Name NMRPipe _Software.Version 2008 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17736 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17736 1 stop_ save_ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 17736 _Software.ID 2 _Software.Name VNMR _Software.Version 6.1C _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 17736 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17736 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17736 _Software.ID 3 _Software.Name TOPSPIN _Software.Version 2.1.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17736 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17736 3 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 17736 _Software.ID 4 _Software.Name AutoStruct _Software.Version 2.2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang, Tejero, Powers and Montelione' . . 17736 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17736 4 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 17736 _Software.ID 5 _Software.Name 'X-PLOR NIH' _Software.Version 2.25 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 17736 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17736 5 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 17736 _Software.ID 6 _Software.Name CNS _Software.Version 1.2 _Software.Details 'water refinement' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 17736 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17736 6 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17736 _Software.ID 7 _Software.Name SPARKY _Software.Version 3.113 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17736 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17736 7 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 17736 _Software.ID 8 _Software.Name PSVS _Software.Version 1.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 17736 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17736 8 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 17736 _Software.ID 9 _Software.Name AutoAssign _Software.Version 2.30 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 17736 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17736 9 'chemical shift assignment' 17736 9 stop_ save_ save_PDBSTAT _Software.Sf_category software _Software.Sf_framecode PDBSTAT _Software.Entry_ID 17736 _Software.ID 10 _Software.Name PDBStat _Software.Version 5.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID '(PdbStat)-Roberto Tejero and Gaetano T. Montelione' . . 17736 10 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17736 10 stop_ save_ save_PINE_Server _Software.Sf_category software _Software.Sf_framecode PINE_Server _Software.Entry_ID 17736 _Software.ID 11 _Software.Name PINE _Software.Version 1.0 _Software.Details 'chemical shift autoassignment server' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bahrami, Markley, Assadi, and Eghbalnia' . . 17736 11 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift autoassignment' 17736 11 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17736 _Software.ID 12 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 17736 12 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17736 12 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 17736 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17736 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 17736 _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 Varian INOVA . 600 . . . 17736 1 2 spectrometer_2 Bruker 'Avance III' . 850 . . . 17736 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 17736 _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 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17736 1 2 '2D 1H-13C HSQC aliphatic' yes . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17736 1 3 '2D 1H-13C HSQC-aromatic' yes . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17736 1 4 '2D 1H-15N HSQC' yes . . . . . . . . . . 3 $NC_sample_in_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17736 1 5 '2D 1H-13C HSQC' yes . . . . . . . . . . 3 $NC_sample_in_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17736 1 6 '2D 1H-13C HSQC-CT' yes . . . . . . . . . . 2 $NC5_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17736 1 7 '3D 1H-15N NOESY' yes . . . . . . . . . . 2 $NC5_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17736 1 8 '3D 1H-13C NOESY_aliph' yes . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17736 1 9 '3D HNCO' yes . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17736 1 10 '3D HNCACB' yes . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17736 1 11 '3D CBCA(CO)NH' yes . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17736 1 12 '3D HNCA' yes . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17736 1 13 '3D HN(CO)CA' yes . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17736 1 14 '3D HBHA(CO)NH' yes . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17736 1 15 '3D H(CCO)NH' yes . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17736 1 16 '3D C(CCO)NH' yes . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17736 1 17 '3D HCCH-COSY' yes . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17736 1 18 '3D HCCH-TOCSY' yes . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17736 1 19 '3D CCH-TOCSY' yes . . . . . . . . . . 3 $NC_sample_in_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17736 1 20 '4D CC-NOESY' yes . . . . . . . . . . 3 $NC_sample_in_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17736 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 17736 _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 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _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/bmr17736/timedomain_data/data/3_ChR152.009_Nhsqc_hir_030611.850mhz/ . . . . . . . 17736 1 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17736/timedomain_data/data/3_ChR152.009_Nhsqc_hir_030611.850mhz/ . . . . . . . 17736 1 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17736/timedomain_data/data/3_ChR152.009_Nhsqc_hir_030611.850mhz/ . . . . . . . 17736 1 . 'NMR Experimental Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17736/timedomain_data/data/3_ChR152.009_Nhsqc_hir_030611.850mhz/ . . . . . . . 17736 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 17736 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D 1H-13C HSQC aliphatic' _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 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _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/bmr17736/timedomain_data/data/10_ChR152.009_Chsqc_hir.850mhz/ . . . . . . . 17736 2 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17736/timedomain_data/data/10_ChR152.009_Chsqc_hir.850mhz/ . . . . . . . 17736 2 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17736/timedomain_data/data/10_ChR152.009_Chsqc_hir.850mhz/ . . . . . . . 17736 2 . 'NMR Experimental Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17736/timedomain_data/data/10_ChR152.009_Chsqc_hir.850mhz/ . . . . . . . 17736 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 17736 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '2D 1H-13C HSQC-aromatic' _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 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _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/bmr17736/timedomain_data/data/12_ChR152.009_Chsqc_arom_ct.850mhz/ . . . . . . . 17736 3 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17736/timedomain_data/data/12_ChR152.009_Chsqc_arom_ct.850mhz/ . . . . . . . 17736 3 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17736/timedomain_data/data/12_ChR152.009_Chsqc_arom_ct.850mhz/ . . . . . . . 17736 3 . 'NMR Experimental Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17736/timedomain_data/data/12_ChR152.009_Chsqc_arom_ct.850mhz/ . . . . . . . 17736 3 stop_ save_ save_NMR_spectrometer_expt_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_4 _NMR_spec_expt.Entry_ID 17736 _NMR_spec_expt.ID 4 _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 fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17736/timedomain_data/data/ChR152.009_Nhsqc_f1180y_nt4_HCN_032311.fid/ . . . . . . . 17736 4 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17736/timedomain_data/data/ChR152.009_Nhsqc_f1180y_nt4_HCN_032311.fid/ . . . . . . . 17736 4 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17736/timedomain_data/data/ChR152.009_Nhsqc_f1180y_nt4_HCN_032311.fid/ . . . . . . . 17736 4 stop_ save_ save_NMR_spectrometer_expt_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_5 _NMR_spec_expt.Entry_ID 17736 _NMR_spec_expt.ID 5 _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 fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17736/timedomain_data/data/ChR152.006_NC5_Chsqc_noCT_041911.fid/ . . . . . . . 17736 5 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17736/timedomain_data/data/ChR152.006_NC5_Chsqc_noCT_041911.fid/ . . . . . . . 17736 5 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17736/timedomain_data/data/ChR152.006_NC5_Chsqc_noCT_041911.fid/ . . . . . . . 17736 5 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 17736 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '2D 1H-13C HSQC-CT' _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 fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17736/timedomain_data/data/ChR152.006_NC5_Chsqc_CT_041911.fid/ . . . . . . . 17736 6 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17736/timedomain_data/data/ChR152.006_NC5_Chsqc_CT_041911.fid/ . . . . . . . 17736 6 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17736/timedomain_data/data/ChR152.006_NC5_Chsqc_CT_041911.fid/ . . . . . . . 17736 6 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 17736 _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 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _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/bmr17736/timedomain_data/data/50_ChR152.009_Nnoesy_030611.850mhz/ . . . . . . . 17736 7 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17736/timedomain_data/data/50_ChR152.009_Nnoesy_030611.850mhz/ . . . . . . . 17736 7 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17736/timedomain_data/data/50_ChR152.009_Nnoesy_030611.850mhz/ . . . . . . . 17736 7 . 'NMR Experimental Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17736/timedomain_data/data/50_ChR152.009_Nnoesy_030611.850mhz/ . . . . . . . 17736 7 stop_ save_ save_NMR_spectrometer_expt_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_8 _NMR_spec_expt.Entry_ID 17736 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '3D 1H-13C NOESY_aliph' _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 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _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/bmr17736/timedomain_data/data/52_ChR152.009_Cnoesy_ali_1mM_031011.850mhz/ . . . . . . . 17736 8 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17736/timedomain_data/data/52_ChR152.009_Cnoesy_ali_1mM_031011.850mhz/ . . . . . . . 17736 8 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17736/timedomain_data/data/52_ChR152.009_Cnoesy_ali_1mM_031011.850mhz/ . . . . . . . 17736 8 . 'NMR Experimental Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17736/timedomain_data/data/52_ChR152.009_Cnoesy_ali_1mM_031011.850mhz/ . . . . . . . 17736 8 stop_ save_ save_NMR_spectrometer_expt_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_9 _NMR_spec_expt.Entry_ID 17736 _NMR_spec_expt.ID 9 _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 fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17736/timedomain_data/data/ChR152.009_hnco_033011.fid/ . . . . . . . 17736 9 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17736/timedomain_data/data/ChR152.009_hnco_033011.fid/ . . . . . . . 17736 9 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17736/timedomain_data/data/ChR152.009_hnco_033011.fid/ . . . . . . . 17736 9 stop_ save_ save_NMR_spectrometer_expt_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_10 _NMR_spec_expt.Entry_ID 17736 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '3D HNCACB' _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 fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17736/timedomain_data/data/ChR152.009_hncacb_HCN_032511.fid/ . . . . . . . 17736 10 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17736/timedomain_data/data/ChR152.009_hncacb_HCN_032511.fid/ . . . . . . . 17736 10 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17736/timedomain_data/data/ChR152.009_hncacb_HCN_032511.fid/ . . . . . . . 17736 10 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 17736 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '3D CBCA(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 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 fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17736/timedomain_data/data/ChR152.009_cbcaconh_033011.fid/ . . . . . . . 17736 11 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17736/timedomain_data/data/ChR152.009_cbcaconh_033011.fid/ . . . . . . . 17736 11 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17736/timedomain_data/data/ChR152.009_cbcaconh_033011.fid/ . . . . . . . 17736 11 stop_ save_ save_NMR_spectrometer_expt_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_12 _NMR_spec_expt.Entry_ID 17736 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name '3D HNCA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 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 fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17736/timedomain_data/data/ChR152.009_hnca_033011.fid/ . . . . . . . 17736 12 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17736/timedomain_data/data/ChR152.009_hnca_033011.fid/ . . . . . . . 17736 12 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17736/timedomain_data/data/ChR152.009_hnca_033011.fid/ . . . . . . . 17736 12 stop_ save_ save_NMR_spectrometer_expt_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_13 _NMR_spec_expt.Entry_ID 17736 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name '3D HN(CO)CA' _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 fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17736/timedomain_data/data/ChR152.009_hncoca_033011.fid/ . . . . . . . 17736 13 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17736/timedomain_data/data/ChR152.009_hncoca_033011.fid/ . . . . . . . 17736 13 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17736/timedomain_data/data/ChR152.009_hncoca_033011.fid/ . . . . . . . 17736 13 stop_ save_ save_NMR_spectrometer_expt_14 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_14 _NMR_spec_expt.Entry_ID 17736 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name '3D HBHA(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 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 fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17736/timedomain_data/data/ChR152.009_hbhaconh_040311.fid/ . . . . . . . 17736 14 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17736/timedomain_data/data/ChR152.009_hbhaconh_040311.fid/ . . . . . . . 17736 14 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17736/timedomain_data/data/ChR152.009_hbhaconh_040311.fid/ . . . . . . . 17736 14 stop_ save_ save_NMR_spectrometer_expt_15 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_15 _NMR_spec_expt.Entry_ID 17736 _NMR_spec_expt.ID 15 _NMR_spec_expt.Name '3D H(CCO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 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 fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17736/timedomain_data/data/ChR152.009_hcconh_HCN_041111.fid/ . . . . . . . 17736 15 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17736/timedomain_data/data/ChR152.009_hcconh_HCN_041111.fid/ . . . . . . . 17736 15 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17736/timedomain_data/data/ChR152.009_hcconh_HCN_041111.fid/ . . . . . . . 17736 15 stop_ save_ save_NMR_spectrometer_expt_16 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_16 _NMR_spec_expt.Entry_ID 17736 _NMR_spec_expt.ID 16 _NMR_spec_expt.Name '3D C(CCO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 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 fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17736/timedomain_data/data/ChR152.009_cconh_040711.fid/ . . . . . . . 17736 16 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17736/timedomain_data/data/ChR152.009_cconh_040711.fid/ . . . . . . . 17736 16 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17736/timedomain_data/data/ChR152.009_cconh_040711.fid/ . . . . . . . 17736 16 stop_ save_ save_NMR_spectrometer_expt_17 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_17 _NMR_spec_expt.Entry_ID 17736 _NMR_spec_expt.ID 17 _NMR_spec_expt.Name '3D HCCH-COSY' _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 fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17736/timedomain_data/data/ChR152.009_hcch_cosy_HCN_041311.fid/ . . . . . . . 17736 17 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17736/timedomain_data/data/ChR152.009_hcch_cosy_HCN_041311.fid/ . . . . . . . 17736 17 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17736/timedomain_data/data/ChR152.009_hcch_cosy_HCN_041311.fid/ . . . . . . . 17736 17 stop_ save_ save_NMR_spectrometer_expt_18 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_18 _NMR_spec_expt.Entry_ID 17736 _NMR_spec_expt.ID 18 _NMR_spec_expt.Name '3D HCCH-TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 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 fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17736/timedomain_data/data/ChR152.009_hcch_tocsy_HCN_041611.fid/ . . . . . . . 17736 18 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17736/timedomain_data/data/ChR152.009_hcch_tocsy_HCN_041611.fid/ . . . . . . . 17736 18 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17736/timedomain_data/data/ChR152.009_hcch_tocsy_HCN_041611.fid/ . . . . . . . 17736 18 stop_ save_ save_NMR_spectrometer_expt_19 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_19 _NMR_spec_expt.Entry_ID 17736 _NMR_spec_expt.ID 19 _NMR_spec_expt.Name '3D CCH-TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 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 fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17736/timedomain_data/data/ChR152.009_d2o_cch_tocsy__HCN_042611.fid/ . . . . . . . 17736 19 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17736/timedomain_data/data/ChR152.009_d2o_cch_tocsy__HCN_042611.fid/ . . . . . . . 17736 19 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17736/timedomain_data/data/ChR152.009_d2o_cch_tocsy__HCN_042611.fid/ . . . . . . . 17736 19 stop_ save_ save_NMR_spectrometer_expt_20 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_20 _NMR_spec_expt.Entry_ID 17736 _NMR_spec_expt.ID 20 _NMR_spec_expt.Name '4D CC-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 fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17736/timedomain_data/data/ChR152.009_d2o_4D_CCnoesy_HCN_050311.fid/ . . . . . . . 17736 20 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17736/timedomain_data/data/ChR152.009_d2o_4D_CCnoesy_HCN_050311.fid/ . . . . . . . 17736 20 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17736/timedomain_data/data/ChR152.009_d2o_4D_CCnoesy_HCN_050311.fid/ . . . . . . . 17736 20 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 17736 _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 . . . . . . . . . 17736 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17736 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17736 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 17736 _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' . . . 17736 1 2 '2D 1H-13C HSQC aliphatic' . . . 17736 1 3 '2D 1H-13C HSQC-aromatic' . . . 17736 1 6 '2D 1H-13C HSQC-CT' . . . 17736 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ARG H H 1 8.65 0.02 . 1 . . . A 2 ARG H . 17736 1 2 . 1 1 2 2 ARG HA H 1 4.46 0.02 . 1 . . . A 2 ARG HA . 17736 1 3 . 1 1 2 2 ARG HB2 H 1 1.83 0.02 . 2 . . . A 2 ARG HB2 . 17736 1 4 . 1 1 2 2 ARG HB3 H 1 1.99 0.02 . 2 . . . A 2 ARG HB3 . 17736 1 5 . 1 1 2 2 ARG HG2 H 1 1.70 0.02 . 2 . . . A 2 ARG HG2 . 17736 1 6 . 1 1 2 2 ARG HG3 H 1 1.70 0.02 . 2 . . . A 2 ARG HG3 . 17736 1 7 . 1 1 2 2 ARG HD2 H 1 3.24 0.02 . 2 . . . A 2 ARG HD2 . 17736 1 8 . 1 1 2 2 ARG HD3 H 1 3.24 0.02 . 2 . . . A 2 ARG HD3 . 17736 1 9 . 1 1 2 2 ARG C C 13 176.5 0.2 . 1 . . . A 2 ARG C . 17736 1 10 . 1 1 2 2 ARG CA C 13 56.4 0.2 . 1 . . . A 2 ARG CA . 17736 1 11 . 1 1 2 2 ARG CB C 13 31.2 0.2 . 1 . . . A 2 ARG CB . 17736 1 12 . 1 1 2 2 ARG CG C 13 26.9 0.2 . 1 . . . A 2 ARG CG . 17736 1 13 . 1 1 2 2 ARG CD C 13 43.5 0.2 . 1 . . . A 2 ARG CD . 17736 1 14 . 1 1 3 3 THR H H 1 8.42 0.02 . 1 . . . A 3 THR H . 17736 1 15 . 1 1 3 3 THR HA H 1 4.34 0.02 . 1 . . . A 3 THR HA . 17736 1 16 . 1 1 3 3 THR HB H 1 4.33 0.02 . 1 . . . A 3 THR HB . 17736 1 17 . 1 1 3 3 THR HG21 H 1 1.22 0.02 . 1 . . . A 3 THR HG21 . 17736 1 18 . 1 1 3 3 THR HG22 H 1 1.22 0.02 . 1 . . . A 3 THR HG22 . 17736 1 19 . 1 1 3 3 THR HG23 H 1 1.22 0.02 . 1 . . . A 3 THR HG23 . 17736 1 20 . 1 1 3 3 THR C C 13 174.3 0.2 . 1 . . . A 3 THR C . 17736 1 21 . 1 1 3 3 THR CA C 13 62.2 0.2 . 1 . . . A 3 THR CA . 17736 1 22 . 1 1 3 3 THR CB C 13 69.5 0.2 . 1 . . . A 3 THR CB . 17736 1 23 . 1 1 3 3 THR CG2 C 13 21.7 0.2 . 1 . . . A 3 THR CG2 . 17736 1 24 . 1 1 3 3 THR N N 15 114.2 0.2 . 1 . . . A 3 THR N . 17736 1 25 . 1 1 4 4 ASP H H 1 8.63 0.02 . 1 . . . A 4 ASP H . 17736 1 26 . 1 1 4 4 ASP HA H 1 4.57 0.02 . 1 . . . A 4 ASP HA . 17736 1 27 . 1 1 4 4 ASP HB2 H 1 2.62 0.02 . 2 . . . A 4 ASP HB2 . 17736 1 28 . 1 1 4 4 ASP HB3 H 1 2.70 0.02 . 2 . . . A 4 ASP HB3 . 17736 1 29 . 1 1 4 4 ASP C C 13 175.2 0.2 . 1 . . . A 4 ASP C . 17736 1 30 . 1 1 4 4 ASP CA C 13 54.0 0.2 . 1 . . . A 4 ASP CA . 17736 1 31 . 1 1 4 4 ASP CB C 13 40.4 0.2 . 1 . . . A 4 ASP CB . 17736 1 32 . 1 1 4 4 ASP N N 15 120.9 0.2 . 1 . . . A 4 ASP N . 17736 1 33 . 1 1 5 5 LEU H H 1 7.58 0.02 . 1 . . . A 5 LEU H . 17736 1 34 . 1 1 5 5 LEU HA H 1 4.43 0.02 . 1 . . . A 5 LEU HA . 17736 1 35 . 1 1 5 5 LEU HB2 H 1 1.47 0.02 . 2 . . . A 5 LEU HB2 . 17736 1 36 . 1 1 5 5 LEU HB3 H 1 1.57 0.02 . 2 . . . A 5 LEU HB3 . 17736 1 37 . 1 1 5 5 LEU HG H 1 1.52 0.02 . 1 . . . A 5 LEU HG . 17736 1 38 . 1 1 5 5 LEU HD11 H 1 0.92 0.02 . 1 . . . A 5 LEU HD11 . 17736 1 39 . 1 1 5 5 LEU HD12 H 1 0.92 0.02 . 1 . . . A 5 LEU HD12 . 17736 1 40 . 1 1 5 5 LEU HD13 H 1 0.92 0.02 . 1 . . . A 5 LEU HD13 . 17736 1 41 . 1 1 5 5 LEU HD21 H 1 0.69 0.02 . 1 . . . A 5 LEU HD21 . 17736 1 42 . 1 1 5 5 LEU HD22 H 1 0.69 0.02 . 1 . . . A 5 LEU HD22 . 17736 1 43 . 1 1 5 5 LEU HD23 H 1 0.69 0.02 . 1 . . . A 5 LEU HD23 . 17736 1 44 . 1 1 5 5 LEU C C 13 176.2 0.2 . 1 . . . A 5 LEU C . 17736 1 45 . 1 1 5 5 LEU CA C 13 54.2 0.2 . 1 . . . A 5 LEU CA . 17736 1 46 . 1 1 5 5 LEU CB C 13 42.0 0.2 . 1 . . . A 5 LEU CB . 17736 1 47 . 1 1 5 5 LEU CG C 13 26.8 0.2 . 1 . . . A 5 LEU CG . 17736 1 48 . 1 1 5 5 LEU CD1 C 13 26.2 0.2 . 1 . . . A 5 LEU CD1 . 17736 1 49 . 1 1 5 5 LEU CD2 C 13 22.9 0.2 . 1 . . . A 5 LEU CD2 . 17736 1 50 . 1 1 5 5 LEU N N 15 121.9 0.2 . 1 . . . A 5 LEU N . 17736 1 51 . 1 1 6 6 ALA H H 1 8.75 0.02 . 1 . . . A 6 ALA H . 17736 1 52 . 1 1 6 6 ALA HA H 1 4.15 0.02 . 1 . . . A 6 ALA HA . 17736 1 53 . 1 1 6 6 ALA HB1 H 1 1.20 0.02 . 1 . . . A 6 ALA HB1 . 17736 1 54 . 1 1 6 6 ALA HB2 H 1 1.20 0.02 . 1 . . . A 6 ALA HB2 . 17736 1 55 . 1 1 6 6 ALA HB3 H 1 1.20 0.02 . 1 . . . A 6 ALA HB3 . 17736 1 56 . 1 1 6 6 ALA C C 13 176.1 0.2 . 1 . . . A 6 ALA C . 17736 1 57 . 1 1 6 6 ALA CA C 13 52.7 0.2 . 1 . . . A 6 ALA CA . 17736 1 58 . 1 1 6 6 ALA CB C 13 20.0 0.2 . 1 . . . A 6 ALA CB . 17736 1 59 . 1 1 6 6 ALA N N 15 126.5 0.2 . 1 . . . A 6 ALA N . 17736 1 60 . 1 1 7 7 LEU H H 1 7.83 0.02 . 1 . . . A 7 LEU H . 17736 1 61 . 1 1 7 7 LEU HA H 1 5.07 0.02 . 1 . . . A 7 LEU HA . 17736 1 62 . 1 1 7 7 LEU HB2 H 1 1.43 0.02 . 2 . . . A 7 LEU HB2 . 17736 1 63 . 1 1 7 7 LEU HB3 H 1 1.73 0.02 . 2 . . . A 7 LEU HB3 . 17736 1 64 . 1 1 7 7 LEU HD11 H 1 0.96 0.02 . 1 . . . A 7 LEU HD11 . 17736 1 65 . 1 1 7 7 LEU HD12 H 1 0.96 0.02 . 1 . . . A 7 LEU HD12 . 17736 1 66 . 1 1 7 7 LEU HD13 H 1 0.96 0.02 . 1 . . . A 7 LEU HD13 . 17736 1 67 . 1 1 7 7 LEU HD21 H 1 0.97 0.02 . 1 . . . A 7 LEU HD21 . 17736 1 68 . 1 1 7 7 LEU HD22 H 1 0.97 0.02 . 1 . . . A 7 LEU HD22 . 17736 1 69 . 1 1 7 7 LEU HD23 H 1 0.97 0.02 . 1 . . . A 7 LEU HD23 . 17736 1 70 . 1 1 7 7 LEU C C 13 175.1 0.2 . 1 . . . A 7 LEU C . 17736 1 71 . 1 1 7 7 LEU CA C 13 54.5 0.2 . 1 . . . A 7 LEU CA . 17736 1 72 . 1 1 7 7 LEU CB C 13 44.6 0.2 . 1 . . . A 7 LEU CB . 17736 1 73 . 1 1 7 7 LEU CG C 13 26.5 0.2 . 1 . . . A 7 LEU CG . 17736 1 74 . 1 1 7 7 LEU CD1 C 13 24.4 0.2 . 1 . . . A 7 LEU CD1 . 17736 1 75 . 1 1 7 7 LEU CD2 C 13 26.6 0.2 . 1 . . . A 7 LEU CD2 . 17736 1 76 . 1 1 7 7 LEU N N 15 119.8 0.2 . 1 . . . A 7 LEU N . 17736 1 77 . 1 1 8 8 ASP H H 1 9.20 0.02 . 1 . . . A 8 ASP H . 17736 1 78 . 1 1 8 8 ASP HA H 1 4.94 0.02 . 1 . . . A 8 ASP HA . 17736 1 79 . 1 1 8 8 ASP HB2 H 1 2.52 0.02 . 2 . . . A 8 ASP HB2 . 17736 1 80 . 1 1 8 8 ASP HB3 H 1 2.68 0.02 . 2 . . . A 8 ASP HB3 . 17736 1 81 . 1 1 8 8 ASP C C 13 173.3 0.2 . 1 . . . A 8 ASP C . 17736 1 82 . 1 1 8 8 ASP CA C 13 53.8 0.2 . 1 . . . A 8 ASP CA . 17736 1 83 . 1 1 8 8 ASP CB C 13 44.6 0.2 . 1 . . . A 8 ASP CB . 17736 1 84 . 1 1 8 8 ASP N N 15 127.4 0.2 . 1 . . . A 8 ASP N . 17736 1 85 . 1 1 9 9 PHE H H 1 8.59 0.02 . 1 . . . A 9 PHE H . 17736 1 86 . 1 1 9 9 PHE HA H 1 4.89 0.02 . 1 . . . A 9 PHE HA . 17736 1 87 . 1 1 9 9 PHE HB2 H 1 2.50 0.02 . 2 . . . A 9 PHE HB2 . 17736 1 88 . 1 1 9 9 PHE HB3 H 1 3.25 0.02 . 2 . . . A 9 PHE HB3 . 17736 1 89 . 1 1 9 9 PHE HD1 H 1 6.99 0.02 . 3 . . . A 9 PHE HD1 . 17736 1 90 . 1 1 9 9 PHE HD2 H 1 6.99 0.02 . 3 . . . A 9 PHE HD2 . 17736 1 91 . 1 1 9 9 PHE HE1 H 1 7.07 0.02 . 3 . . . A 9 PHE HE1 . 17736 1 92 . 1 1 9 9 PHE HE2 H 1 7.07 0.02 . 3 . . . A 9 PHE HE2 . 17736 1 93 . 1 1 9 9 PHE C C 13 174.1 0.2 . 1 . . . A 9 PHE C . 17736 1 94 . 1 1 9 9 PHE CA C 13 57.3 0.2 . 1 . . . A 9 PHE CA . 17736 1 95 . 1 1 9 9 PHE CB C 13 42.5 0.2 . 1 . . . A 9 PHE CB . 17736 1 96 . 1 1 9 9 PHE CD1 C 13 132.0 0.2 . 3 . . . A 9 PHE CD1 . 17736 1 97 . 1 1 9 9 PHE CD2 C 13 132.0 0.2 . 3 . . . A 9 PHE CD2 . 17736 1 98 . 1 1 9 9 PHE CE1 C 13 129.0 0.2 . 3 . . . A 9 PHE CE1 . 17736 1 99 . 1 1 9 9 PHE CE2 C 13 129.0 0.2 . 3 . . . A 9 PHE CE2 . 17736 1 100 . 1 1 9 9 PHE N N 15 127.5 0.2 . 1 . . . A 9 PHE N . 17736 1 101 . 1 1 10 10 SER H H 1 8.68 0.02 . 1 . . . A 10 SER H . 17736 1 102 . 1 1 10 10 SER HA H 1 4.89 0.02 . 1 . . . A 10 SER HA . 17736 1 103 . 1 1 10 10 SER HB2 H 1 3.72 0.02 . 2 . . . A 10 SER HB2 . 17736 1 104 . 1 1 10 10 SER HB3 H 1 3.76 0.02 . 2 . . . A 10 SER HB3 . 17736 1 105 . 1 1 10 10 SER C C 13 172.5 0.2 . 1 . . . A 10 SER C . 17736 1 106 . 1 1 10 10 SER CA C 13 57.3 0.2 . 1 . . . A 10 SER CA . 17736 1 107 . 1 1 10 10 SER CB C 13 65.3 0.2 . 1 . . . A 10 SER CB . 17736 1 108 . 1 1 10 10 SER N N 15 122.3 0.2 . 1 . . . A 10 SER N . 17736 1 109 . 1 1 11 11 VAL H H 1 8.81 0.02 . 1 . . . A 11 VAL H . 17736 1 110 . 1 1 11 11 VAL HA H 1 4.40 0.02 . 1 . . . A 11 VAL HA . 17736 1 111 . 1 1 11 11 VAL HB H 1 2.06 0.02 . 1 . . . A 11 VAL HB . 17736 1 112 . 1 1 11 11 VAL HG11 H 1 0.90 0.02 . 1 . . . A 11 VAL HG11 . 17736 1 113 . 1 1 11 11 VAL HG12 H 1 0.90 0.02 . 1 . . . A 11 VAL HG12 . 17736 1 114 . 1 1 11 11 VAL HG13 H 1 0.90 0.02 . 1 . . . A 11 VAL HG13 . 17736 1 115 . 1 1 11 11 VAL HG21 H 1 1.05 0.02 . 1 . . . A 11 VAL HG21 . 17736 1 116 . 1 1 11 11 VAL HG22 H 1 1.05 0.02 . 1 . . . A 11 VAL HG22 . 17736 1 117 . 1 1 11 11 VAL HG23 H 1 1.05 0.02 . 1 . . . A 11 VAL HG23 . 17736 1 118 . 1 1 11 11 VAL C C 13 174.7 0.2 . 1 . . . A 11 VAL C . 17736 1 119 . 1 1 11 11 VAL CA C 13 61.7 0.2 . 1 . . . A 11 VAL CA . 17736 1 120 . 1 1 11 11 VAL CB C 13 34.1 0.2 . 1 . . . A 11 VAL CB . 17736 1 121 . 1 1 11 11 VAL CG1 C 13 22.2 0.2 . 1 . . . A 11 VAL CG1 . 17736 1 122 . 1 1 11 11 VAL CG2 C 13 21.8 0.2 . 1 . . . A 11 VAL CG2 . 17736 1 123 . 1 1 11 11 VAL N N 15 126.5 0.2 . 1 . . . A 11 VAL N . 17736 1 124 . 1 1 12 12 ASN H H 1 9.02 0.02 . 1 . . . A 12 ASN H . 17736 1 125 . 1 1 12 12 ASN HA H 1 5.02 0.02 . 1 . . . A 12 ASN HA . 17736 1 126 . 1 1 12 12 ASN HB2 H 1 2.49 0.02 . 2 . . . A 12 ASN HB2 . 17736 1 127 . 1 1 12 12 ASN HB3 H 1 3.35 0.02 . 2 . . . A 12 ASN HB3 . 17736 1 128 . 1 1 12 12 ASN HD21 H 1 7.02 0.02 . 1 . . . A 12 ASN HD21 . 17736 1 129 . 1 1 12 12 ASN HD22 H 1 7.53 0.02 . 1 . . . A 12 ASN HD22 . 17736 1 130 . 1 1 12 12 ASN C C 13 175.3 0.2 . 1 . . . A 12 ASN C . 17736 1 131 . 1 1 12 12 ASN CA C 13 51.8 0.2 . 1 . . . A 12 ASN CA . 17736 1 132 . 1 1 12 12 ASN CB C 13 39.4 0.2 . 1 . . . A 12 ASN CB . 17736 1 133 . 1 1 12 12 ASN CG C 13 177.3 0.2 . 1 . . . A 12 ASN CG . 17736 1 134 . 1 1 12 12 ASN N N 15 127.0 0.2 . 1 . . . A 12 ASN N . 17736 1 135 . 1 1 12 12 ASN ND2 N 15 112.7 0.2 . 1 . . . A 12 ASN ND2 . 17736 1 136 . 1 1 13 13 LYS H H 1 9.14 0.02 . 1 . . . A 13 LYS H . 17736 1 137 . 1 1 13 13 LYS HA H 1 3.84 0.02 . 1 . . . A 13 LYS HA . 17736 1 138 . 1 1 13 13 LYS HB2 H 1 1.86 0.02 . 2 . . . A 13 LYS HB2 . 17736 1 139 . 1 1 13 13 LYS HB3 H 1 1.86 0.02 . 2 . . . A 13 LYS HB3 . 17736 1 140 . 1 1 13 13 LYS HG2 H 1 1.19 0.02 . 2 . . . A 13 LYS HG2 . 17736 1 141 . 1 1 13 13 LYS HG3 H 1 1.59 0.02 . 2 . . . A 13 LYS HG3 . 17736 1 142 . 1 1 13 13 LYS HD2 H 1 1.67 0.02 . 2 . . . A 13 LYS HD2 . 17736 1 143 . 1 1 13 13 LYS HD3 H 1 1.67 0.02 . 2 . . . A 13 LYS HD3 . 17736 1 144 . 1 1 13 13 LYS C C 13 177.7 0.2 . 1 . . . A 13 LYS C . 17736 1 145 . 1 1 13 13 LYS CA C 13 60.2 0.2 . 1 . . . A 13 LYS CA . 17736 1 146 . 1 1 13 13 LYS CB C 13 32.3 0.2 . 1 . . . A 13 LYS CB . 17736 1 147 . 1 1 13 13 LYS CG C 13 27.1 0.2 . 1 . . . A 13 LYS CG . 17736 1 148 . 1 1 13 13 LYS CD C 13 29.4 0.2 . 1 . . . A 13 LYS CD . 17736 1 149 . 1 1 13 13 LYS CE C 13 42.0 0.2 . 1 . . . A 13 LYS CE . 17736 1 150 . 1 1 13 13 LYS N N 15 124.3 0.2 . 1 . . . A 13 LYS N . 17736 1 151 . 1 1 14 14 GLU H H 1 8.37 0.02 . 1 . . . A 14 GLU H . 17736 1 152 . 1 1 14 14 GLU HA H 1 4.10 0.02 . 1 . . . A 14 GLU HA . 17736 1 153 . 1 1 14 14 GLU HB2 H 1 2.08 0.02 . 2 . . . A 14 GLU HB2 . 17736 1 154 . 1 1 14 14 GLU HB3 H 1 2.19 0.02 . 2 . . . A 14 GLU HB3 . 17736 1 155 . 1 1 14 14 GLU HG2 H 1 2.32 0.02 . 2 . . . A 14 GLU HG2 . 17736 1 156 . 1 1 14 14 GLU HG3 H 1 2.32 0.02 . 2 . . . A 14 GLU HG3 . 17736 1 157 . 1 1 14 14 GLU C C 13 177.8 0.2 . 1 . . . A 14 GLU C . 17736 1 158 . 1 1 14 14 GLU CA C 13 59.7 0.2 . 1 . . . A 14 GLU CA . 17736 1 159 . 1 1 14 14 GLU CB C 13 29.0 0.2 . 1 . . . A 14 GLU CB . 17736 1 160 . 1 1 14 14 GLU CG C 13 36.9 0.2 . 1 . . . A 14 GLU CG . 17736 1 161 . 1 1 14 14 GLU N N 15 119.2 0.2 . 1 . . . A 14 GLU N . 17736 1 162 . 1 1 15 15 ASN H H 1 7.71 0.02 . 1 . . . A 15 ASN H . 17736 1 163 . 1 1 15 15 ASN HA H 1 4.81 0.02 . 1 . . . A 15 ASN HA . 17736 1 164 . 1 1 15 15 ASN HB2 H 1 2.65 0.02 . 2 . . . A 15 ASN HB2 . 17736 1 165 . 1 1 15 15 ASN HB3 H 1 2.86 0.02 . 2 . . . A 15 ASN HB3 . 17736 1 166 . 1 1 15 15 ASN HD21 H 1 6.84 0.02 . 1 . . . A 15 ASN HD21 . 17736 1 167 . 1 1 15 15 ASN HD22 H 1 7.45 0.02 . 1 . . . A 15 ASN HD22 . 17736 1 168 . 1 1 15 15 ASN C C 13 174.8 0.2 . 1 . . . A 15 ASN C . 17736 1 169 . 1 1 15 15 ASN CA C 13 52.0 0.2 . 1 . . . A 15 ASN CA . 17736 1 170 . 1 1 15 15 ASN CB C 13 38.3 0.2 . 1 . . . A 15 ASN CB . 17736 1 171 . 1 1 15 15 ASN CG C 13 176.1 0.2 . 1 . . . A 15 ASN CG . 17736 1 172 . 1 1 15 15 ASN N N 15 114.5 0.2 . 1 . . . A 15 ASN N . 17736 1 173 . 1 1 15 15 ASN ND2 N 15 110.1 0.2 . 1 . . . A 15 ASN ND2 . 17736 1 174 . 1 1 16 16 LYS H H 1 7.85 0.02 . 1 . . . A 16 LYS H . 17736 1 175 . 1 1 16 16 LYS HA H 1 3.67 0.02 . 1 . . . A 16 LYS HA . 17736 1 176 . 1 1 16 16 LYS HB2 H 1 1.88 0.02 . 2 . . . A 16 LYS HB2 . 17736 1 177 . 1 1 16 16 LYS HB3 H 1 2.39 0.02 . 2 . . . A 16 LYS HB3 . 17736 1 178 . 1 1 16 16 LYS HG2 H 1 1.26 0.02 . 2 . . . A 16 LYS HG2 . 17736 1 179 . 1 1 16 16 LYS HG3 H 1 1.33 0.02 . 2 . . . A 16 LYS HG3 . 17736 1 180 . 1 1 16 16 LYS HD2 H 1 1.70 0.02 . 2 . . . A 16 LYS HD2 . 17736 1 181 . 1 1 16 16 LYS HD3 H 1 1.70 0.02 . 2 . . . A 16 LYS HD3 . 17736 1 182 . 1 1 16 16 LYS HE2 H 1 2.98 0.02 . 2 . . . A 16 LYS HE2 . 17736 1 183 . 1 1 16 16 LYS HE3 H 1 2.98 0.02 . 2 . . . A 16 LYS HE3 . 17736 1 184 . 1 1 16 16 LYS C C 13 174.0 0.2 . 1 . . . A 16 LYS C . 17736 1 185 . 1 1 16 16 LYS CA C 13 57.9 0.2 . 1 . . . A 16 LYS CA . 17736 1 186 . 1 1 16 16 LYS CB C 13 29.1 0.2 . 1 . . . A 16 LYS CB . 17736 1 187 . 1 1 16 16 LYS CG C 13 25.0 0.2 . 1 . . . A 16 LYS CG . 17736 1 188 . 1 1 16 16 LYS CD C 13 29.3 0.2 . 1 . . . A 16 LYS CD . 17736 1 189 . 1 1 16 16 LYS CE C 13 42.2 0.2 . 1 . . . A 16 LYS CE . 17736 1 190 . 1 1 16 16 LYS N N 15 118.0 0.2 . 1 . . . A 16 LYS N . 17736 1 191 . 1 1 17 17 THR H H 1 8.34 0.02 . 1 . . . A 17 THR H . 17736 1 192 . 1 1 17 17 THR HA H 1 5.72 0.02 . 1 . . . A 17 THR HA . 17736 1 193 . 1 1 17 17 THR HB H 1 3.99 0.02 . 1 . . . A 17 THR HB . 17736 1 194 . 1 1 17 17 THR HG21 H 1 1.09 0.02 . 1 . . . A 17 THR HG21 . 17736 1 195 . 1 1 17 17 THR HG22 H 1 1.09 0.02 . 1 . . . A 17 THR HG22 . 17736 1 196 . 1 1 17 17 THR HG23 H 1 1.09 0.02 . 1 . . . A 17 THR HG23 . 17736 1 197 . 1 1 17 17 THR C C 13 174.1 0.2 . 1 . . . A 17 THR C . 17736 1 198 . 1 1 17 17 THR CA C 13 59.9 0.2 . 1 . . . A 17 THR CA . 17736 1 199 . 1 1 17 17 THR CB C 13 73.8 0.2 . 1 . . . A 17 THR CB . 17736 1 200 . 1 1 17 17 THR CG2 C 13 21.1 0.2 . 1 . . . A 17 THR CG2 . 17736 1 201 . 1 1 17 17 THR N N 15 107.8 0.2 . 1 . . . A 17 THR N . 17736 1 202 . 1 1 18 18 ILE H H 1 9.22 0.02 . 1 . . . A 18 ILE H . 17736 1 203 . 1 1 18 18 ILE HA H 1 4.52 0.02 . 1 . . . A 18 ILE HA . 17736 1 204 . 1 1 18 18 ILE HB H 1 1.59 0.02 . 1 . . . A 18 ILE HB . 17736 1 205 . 1 1 18 18 ILE HG12 H 1 0.90 0.02 . 2 . . . A 18 ILE HG12 . 17736 1 206 . 1 1 18 18 ILE HG13 H 1 1.73 0.02 . 2 . . . A 18 ILE HG13 . 17736 1 207 . 1 1 18 18 ILE HG21 H 1 0.40 0.02 . 1 . . . A 18 ILE HG21 . 17736 1 208 . 1 1 18 18 ILE HG22 H 1 0.40 0.02 . 1 . . . A 18 ILE HG22 . 17736 1 209 . 1 1 18 18 ILE HG23 H 1 0.40 0.02 . 1 . . . A 18 ILE HG23 . 17736 1 210 . 1 1 18 18 ILE HD11 H 1 0.86 0.02 . 1 . . . A 18 ILE HD11 . 17736 1 211 . 1 1 18 18 ILE HD12 H 1 0.86 0.02 . 1 . . . A 18 ILE HD12 . 17736 1 212 . 1 1 18 18 ILE HD13 H 1 0.86 0.02 . 1 . . . A 18 ILE HD13 . 17736 1 213 . 1 1 18 18 ILE C C 13 174.3 0.2 . 1 . . . A 18 ILE C . 17736 1 214 . 1 1 18 18 ILE CA C 13 61.4 0.2 . 1 . . . A 18 ILE CA . 17736 1 215 . 1 1 18 18 ILE CB C 13 41.6 0.2 . 1 . . . A 18 ILE CB . 17736 1 216 . 1 1 18 18 ILE CG1 C 13 28.6 0.2 . 1 . . . A 18 ILE CG1 . 17736 1 217 . 1 1 18 18 ILE CG2 C 13 17.2 0.2 . 1 . . . A 18 ILE CG2 . 17736 1 218 . 1 1 18 18 ILE CD1 C 13 13.7 0.2 . 1 . . . A 18 ILE CD1 . 17736 1 219 . 1 1 18 18 ILE N N 15 123.3 0.2 . 1 . . . A 18 ILE N . 17736 1 220 . 1 1 19 19 THR H H 1 8.71 0.02 . 1 . . . A 19 THR H . 17736 1 221 . 1 1 19 19 THR HA H 1 5.22 0.02 . 1 . . . A 19 THR HA . 17736 1 222 . 1 1 19 19 THR HB H 1 3.73 0.02 . 1 . . . A 19 THR HB . 17736 1 223 . 1 1 19 19 THR HG21 H 1 0.89 0.02 . 1 . . . A 19 THR HG21 . 17736 1 224 . 1 1 19 19 THR HG22 H 1 0.89 0.02 . 1 . . . A 19 THR HG22 . 17736 1 225 . 1 1 19 19 THR HG23 H 1 0.89 0.02 . 1 . . . A 19 THR HG23 . 17736 1 226 . 1 1 19 19 THR C C 13 173.8 0.2 . 1 . . . A 19 THR C . 17736 1 227 . 1 1 19 19 THR CA C 13 61.3 0.2 . 1 . . . A 19 THR CA . 17736 1 228 . 1 1 19 19 THR CB C 13 70.7 0.2 . 1 . . . A 19 THR CB . 17736 1 229 . 1 1 19 19 THR CG2 C 13 21.1 0.2 . 1 . . . A 19 THR CG2 . 17736 1 230 . 1 1 19 19 THR N N 15 122.0 0.2 . 1 . . . A 19 THR N . 17736 1 231 . 1 1 20 20 ILE H H 1 9.26 0.02 . 1 . . . A 20 ILE H . 17736 1 232 . 1 1 20 20 ILE HA H 1 5.03 0.02 . 1 . . . A 20 ILE HA . 17736 1 233 . 1 1 20 20 ILE HB H 1 1.61 0.02 . 1 . . . A 20 ILE HB . 17736 1 234 . 1 1 20 20 ILE HG12 H 1 0.61 0.02 . 2 . . . A 20 ILE HG12 . 17736 1 235 . 1 1 20 20 ILE HG13 H 1 1.29 0.02 . 2 . . . A 20 ILE HG13 . 17736 1 236 . 1 1 20 20 ILE HG21 H 1 0.70 0.02 . 1 . . . A 20 ILE HG21 . 17736 1 237 . 1 1 20 20 ILE HG22 H 1 0.70 0.02 . 1 . . . A 20 ILE HG22 . 17736 1 238 . 1 1 20 20 ILE HG23 H 1 0.70 0.02 . 1 . . . A 20 ILE HG23 . 17736 1 239 . 1 1 20 20 ILE HD11 H 1 0.51 0.02 . 1 . . . A 20 ILE HD11 . 17736 1 240 . 1 1 20 20 ILE HD12 H 1 0.51 0.02 . 1 . . . A 20 ILE HD12 . 17736 1 241 . 1 1 20 20 ILE HD13 H 1 0.51 0.02 . 1 . . . A 20 ILE HD13 . 17736 1 242 . 1 1 20 20 ILE C C 13 174.6 0.2 . 1 . . . A 20 ILE C . 17736 1 243 . 1 1 20 20 ILE CA C 13 59.4 0.2 . 1 . . . A 20 ILE CA . 17736 1 244 . 1 1 20 20 ILE CB C 13 40.4 0.2 . 1 . . . A 20 ILE CB . 17736 1 245 . 1 1 20 20 ILE CG1 C 13 27.7 0.2 . 1 . . . A 20 ILE CG1 . 17736 1 246 . 1 1 20 20 ILE CG2 C 13 18.4 0.2 . 1 . . . A 20 ILE CG2 . 17736 1 247 . 1 1 20 20 ILE CD1 C 13 15.1 0.2 . 1 . . . A 20 ILE CD1 . 17736 1 248 . 1 1 20 20 ILE N N 15 128.9 0.2 . 1 . . . A 20 ILE N . 17736 1 249 . 1 1 21 21 LYS H H 1 8.90 0.02 . 1 . . . A 21 LYS H . 17736 1 250 . 1 1 21 21 LYS HA H 1 5.36 0.02 . 1 . . . A 21 LYS HA . 17736 1 251 . 1 1 21 21 LYS HB2 H 1 1.71 0.02 . 2 . . . A 21 LYS HB2 . 17736 1 252 . 1 1 21 21 LYS HB3 H 1 1.71 0.02 . 2 . . . A 21 LYS HB3 . 17736 1 253 . 1 1 21 21 LYS HG2 H 1 1.05 0.02 . 2 . . . A 21 LYS HG2 . 17736 1 254 . 1 1 21 21 LYS HG3 H 1 1.41 0.02 . 2 . . . A 21 LYS HG3 . 17736 1 255 . 1 1 21 21 LYS HD2 H 1 0.74 0.02 . 2 . . . A 21 LYS HD2 . 17736 1 256 . 1 1 21 21 LYS HD3 H 1 1.42 0.02 . 2 . . . A 21 LYS HD3 . 17736 1 257 . 1 1 21 21 LYS HE2 H 1 2.75 0.02 . 2 . . . A 21 LYS HE2 . 17736 1 258 . 1 1 21 21 LYS HE3 H 1 2.75 0.02 . 2 . . . A 21 LYS HE3 . 17736 1 259 . 1 1 21 21 LYS C C 13 174.7 0.2 . 1 . . . A 21 LYS C . 17736 1 260 . 1 1 21 21 LYS CA C 13 55.0 0.2 . 1 . . . A 21 LYS CA . 17736 1 261 . 1 1 21 21 LYS CB C 13 35.3 0.2 . 1 . . . A 21 LYS CB . 17736 1 262 . 1 1 21 21 LYS CG C 13 25.3 0.2 . 1 . . . A 21 LYS CG . 17736 1 263 . 1 1 21 21 LYS CD C 13 29.4 0.2 . 1 . . . A 21 LYS CD . 17736 1 264 . 1 1 21 21 LYS CE C 13 41.9 0.2 . 1 . . . A 21 LYS CE . 17736 1 265 . 1 1 21 21 LYS N N 15 126.4 0.2 . 1 . . . A 21 LYS N . 17736 1 266 . 1 1 22 22 ARG H H 1 9.16 0.02 . 1 . . . A 22 ARG H . 17736 1 267 . 1 1 22 22 ARG HA H 1 4.98 0.02 . 1 . . . A 22 ARG HA . 17736 1 268 . 1 1 22 22 ARG HB2 H 1 1.61 0.02 . 2 . . . A 22 ARG HB2 . 17736 1 269 . 1 1 22 22 ARG HB3 H 1 1.69 0.02 . 2 . . . A 22 ARG HB3 . 17736 1 270 . 1 1 22 22 ARG HG2 H 1 0.75 0.02 . 2 . . . A 22 ARG HG2 . 17736 1 271 . 1 1 22 22 ARG HG3 H 1 0.75 0.02 . 2 . . . A 22 ARG HG3 . 17736 1 272 . 1 1 22 22 ARG HD2 H 1 2.84 0.02 . 2 . . . A 22 ARG HD2 . 17736 1 273 . 1 1 22 22 ARG HD3 H 1 3.39 0.02 . 2 . . . A 22 ARG HD3 . 17736 1 274 . 1 1 22 22 ARG HE H 1 6.11 0.02 . 1 . . . A 22 ARG HE . 17736 1 275 . 1 1 22 22 ARG C C 13 174.4 0.2 . 1 . . . A 22 ARG C . 17736 1 276 . 1 1 22 22 ARG CA C 13 53.5 0.2 . 1 . . . A 22 ARG CA . 17736 1 277 . 1 1 22 22 ARG CB C 13 37.4 0.2 . 1 . . . A 22 ARG CB . 17736 1 278 . 1 1 22 22 ARG CG C 13 29.3 0.2 . 1 . . . A 22 ARG CG . 17736 1 279 . 1 1 22 22 ARG CD C 13 42.8 0.2 . 1 . . . A 22 ARG CD . 17736 1 280 . 1 1 22 22 ARG N N 15 125.3 0.2 . 1 . . . A 22 ARG N . 17736 1 281 . 1 1 22 22 ARG NE N 15 82.8 0.2 . 1 . . . A 22 ARG NE . 17736 1 282 . 1 1 23 23 GLU H H 1 8.11 0.02 . 1 . . . A 23 GLU H . 17736 1 283 . 1 1 23 23 GLU HA H 1 5.25 0.02 . 1 . . . A 23 GLU HA . 17736 1 284 . 1 1 23 23 GLU HB2 H 1 1.76 0.02 . 2 . . . A 23 GLU HB2 . 17736 1 285 . 1 1 23 23 GLU HB3 H 1 2.03 0.02 . 2 . . . A 23 GLU HB3 . 17736 1 286 . 1 1 23 23 GLU HG2 H 1 1.88 0.02 . 2 . . . A 23 GLU HG2 . 17736 1 287 . 1 1 23 23 GLU HG3 H 1 2.38 0.02 . 2 . . . A 23 GLU HG3 . 17736 1 288 . 1 1 23 23 GLU C C 13 174.9 0.2 . 1 . . . A 23 GLU C . 17736 1 289 . 1 1 23 23 GLU CA C 13 54.8 0.2 . 1 . . . A 23 GLU CA . 17736 1 290 . 1 1 23 23 GLU CB C 13 32.7 0.2 . 1 . . . A 23 GLU CB . 17736 1 291 . 1 1 23 23 GLU CG C 13 37.8 0.2 . 1 . . . A 23 GLU CG . 17736 1 292 . 1 1 23 23 GLU N N 15 124.3 0.2 . 1 . . . A 23 GLU N . 17736 1 293 . 1 1 24 24 PHE H H 1 9.16 0.02 . 1 . . . A 24 PHE H . 17736 1 294 . 1 1 24 24 PHE HA H 1 4.83 0.02 . 1 . . . A 24 PHE HA . 17736 1 295 . 1 1 24 24 PHE HB2 H 1 2.49 0.02 . 2 . . . A 24 PHE HB2 . 17736 1 296 . 1 1 24 24 PHE HB3 H 1 2.93 0.02 . 2 . . . A 24 PHE HB3 . 17736 1 297 . 1 1 24 24 PHE HD1 H 1 7.27 0.02 . 3 . . . A 24 PHE HD1 . 17736 1 298 . 1 1 24 24 PHE HD2 H 1 7.27 0.02 . 3 . . . A 24 PHE HD2 . 17736 1 299 . 1 1 24 24 PHE HE1 H 1 7.30 0.02 . 3 . . . A 24 PHE HE1 . 17736 1 300 . 1 1 24 24 PHE HE2 H 1 7.30 0.02 . 3 . . . A 24 PHE HE2 . 17736 1 301 . 1 1 24 24 PHE C C 13 175.6 0.2 . 1 . . . A 24 PHE C . 17736 1 302 . 1 1 24 24 PHE CA C 13 57.5 0.2 . 1 . . . A 24 PHE CA . 17736 1 303 . 1 1 24 24 PHE CB C 13 44.1 0.2 . 1 . . . A 24 PHE CB . 17736 1 304 . 1 1 24 24 PHE CD1 C 13 132.5 0.2 . 3 . . . A 24 PHE CD1 . 17736 1 305 . 1 1 24 24 PHE CD2 C 13 132.5 0.2 . 3 . . . A 24 PHE CD2 . 17736 1 306 . 1 1 24 24 PHE CE1 C 13 129.9 0.2 . 3 . . . A 24 PHE CE1 . 17736 1 307 . 1 1 24 24 PHE CE2 C 13 129.9 0.2 . 3 . . . A 24 PHE CE2 . 17736 1 308 . 1 1 24 24 PHE N N 15 116.3 0.2 . 1 . . . A 24 PHE N . 17736 1 309 . 1 1 25 25 ALA H H 1 9.73 0.02 . 1 . . . A 25 ALA H . 17736 1 310 . 1 1 25 25 ALA HA H 1 4.70 0.02 . 1 . . . A 25 ALA HA . 17736 1 311 . 1 1 25 25 ALA HB1 H 1 1.35 0.02 . 1 . . . A 25 ALA HB1 . 17736 1 312 . 1 1 25 25 ALA HB2 H 1 1.35 0.02 . 1 . . . A 25 ALA HB2 . 17736 1 313 . 1 1 25 25 ALA HB3 H 1 1.35 0.02 . 1 . . . A 25 ALA HB3 . 17736 1 314 . 1 1 25 25 ALA C C 13 175.6 0.2 . 1 . . . A 25 ALA C . 17736 1 315 . 1 1 25 25 ALA CA C 13 51.0 0.2 . 1 . . . A 25 ALA CA . 17736 1 316 . 1 1 25 25 ALA CB C 13 16.6 0.2 . 1 . . . A 25 ALA CB . 17736 1 317 . 1 1 25 25 ALA N N 15 128.7 0.2 . 1 . . . A 25 ALA N . 17736 1 318 . 1 1 26 26 ALA H H 1 8.37 0.02 . 1 . . . A 26 ALA H . 17736 1 319 . 1 1 26 26 ALA HA H 1 4.59 0.02 . 1 . . . A 26 ALA HA . 17736 1 320 . 1 1 26 26 ALA HB1 H 1 1.38 0.02 . 1 . . . A 26 ALA HB1 . 17736 1 321 . 1 1 26 26 ALA HB2 H 1 1.38 0.02 . 1 . . . A 26 ALA HB2 . 17736 1 322 . 1 1 26 26 ALA HB3 H 1 1.38 0.02 . 1 . . . A 26 ALA HB3 . 17736 1 323 . 1 1 26 26 ALA C C 13 175.7 0.2 . 1 . . . A 26 ALA C . 17736 1 324 . 1 1 26 26 ALA CA C 13 51.8 0.2 . 1 . . . A 26 ALA CA . 17736 1 325 . 1 1 26 26 ALA CB C 13 23.7 0.2 . 1 . . . A 26 ALA CB . 17736 1 326 . 1 1 26 26 ALA N N 15 123.3 0.2 . 1 . . . A 26 ALA N . 17736 1 327 . 1 1 27 27 VAL H H 1 8.01 0.02 . 1 . . . A 27 VAL H . 17736 1 328 . 1 1 27 27 VAL HA H 1 4.29 0.02 . 1 . . . A 27 VAL HA . 17736 1 329 . 1 1 27 27 VAL HB H 1 2.54 0.02 . 1 . . . A 27 VAL HB . 17736 1 330 . 1 1 27 27 VAL HG11 H 1 1.15 0.02 . 1 . . . A 27 VAL HG11 . 17736 1 331 . 1 1 27 27 VAL HG12 H 1 1.15 0.02 . 1 . . . A 27 VAL HG12 . 17736 1 332 . 1 1 27 27 VAL HG13 H 1 1.15 0.02 . 1 . . . A 27 VAL HG13 . 17736 1 333 . 1 1 27 27 VAL HG21 H 1 1.03 0.02 . 1 . . . A 27 VAL HG21 . 17736 1 334 . 1 1 27 27 VAL HG22 H 1 1.03 0.02 . 1 . . . A 27 VAL HG22 . 17736 1 335 . 1 1 27 27 VAL HG23 H 1 1.03 0.02 . 1 . . . A 27 VAL HG23 . 17736 1 336 . 1 1 27 27 VAL C C 13 178.5 0.2 . 1 . . . A 27 VAL C . 17736 1 337 . 1 1 27 27 VAL CA C 13 61.1 0.2 . 1 . . . A 27 VAL CA . 17736 1 338 . 1 1 27 27 VAL CB C 13 32.8 0.2 . 1 . . . A 27 VAL CB . 17736 1 339 . 1 1 27 27 VAL CG1 C 13 21.6 0.2 . 1 . . . A 27 VAL CG1 . 17736 1 340 . 1 1 27 27 VAL CG2 C 13 18.6 0.2 . 1 . . . A 27 VAL CG2 . 17736 1 341 . 1 1 27 27 VAL N N 15 111.9 0.2 . 1 . . . A 27 VAL N . 17736 1 342 . 1 1 28 28 ARG H H 1 8.51 0.02 . 1 . . . A 28 ARG H . 17736 1 343 . 1 1 28 28 ARG HA H 1 4.18 0.02 . 1 . . . A 28 ARG HA . 17736 1 344 . 1 1 28 28 ARG HB2 H 1 1.75 0.02 . 2 . . . A 28 ARG HB2 . 17736 1 345 . 1 1 28 28 ARG HB3 H 1 2.20 0.02 . 2 . . . A 28 ARG HB3 . 17736 1 346 . 1 1 28 28 ARG HG2 H 1 1.74 0.02 . 2 . . . A 28 ARG HG2 . 17736 1 347 . 1 1 28 28 ARG HG3 H 1 1.74 0.02 . 2 . . . A 28 ARG HG3 . 17736 1 348 . 1 1 28 28 ARG HD2 H 1 2.99 0.02 . 2 . . . A 28 ARG HD2 . 17736 1 349 . 1 1 28 28 ARG HD3 H 1 2.99 0.02 . 2 . . . A 28 ARG HD3 . 17736 1 350 . 1 1 28 28 ARG C C 13 177.1 0.2 . 1 . . . A 28 ARG C . 17736 1 351 . 1 1 28 28 ARG CA C 13 61.6 0.2 . 1 . . . A 28 ARG CA . 17736 1 352 . 1 1 28 28 ARG CB C 13 30.2 0.2 . 1 . . . A 28 ARG CB . 17736 1 353 . 1 1 28 28 ARG CG C 13 26.3 0.2 . 1 . . . A 28 ARG CG . 17736 1 354 . 1 1 28 28 ARG CD C 13 42.2 0.2 . 1 . . . A 28 ARG CD . 17736 1 355 . 1 1 28 28 ARG N N 15 125.2 0.2 . 1 . . . A 28 ARG N . 17736 1 356 . 1 1 29 29 ALA H H 1 8.87 0.02 . 1 . . . A 29 ALA H . 17736 1 357 . 1 1 29 29 ALA HA H 1 3.90 0.02 . 1 . . . A 29 ALA HA . 17736 1 358 . 1 1 29 29 ALA HB1 H 1 1.34 0.02 . 1 . . . A 29 ALA HB1 . 17736 1 359 . 1 1 29 29 ALA HB2 H 1 1.34 0.02 . 1 . . . A 29 ALA HB2 . 17736 1 360 . 1 1 29 29 ALA HB3 H 1 1.34 0.02 . 1 . . . A 29 ALA HB3 . 17736 1 361 . 1 1 29 29 ALA C C 13 180.1 0.2 . 1 . . . A 29 ALA C . 17736 1 362 . 1 1 29 29 ALA CA C 13 56.1 0.2 . 1 . . . A 29 ALA CA . 17736 1 363 . 1 1 29 29 ALA CB C 13 18.4 0.2 . 1 . . . A 29 ALA CB . 17736 1 364 . 1 1 29 29 ALA N N 15 118.8 0.2 . 1 . . . A 29 ALA N . 17736 1 365 . 1 1 30 30 ILE H H 1 7.10 0.02 . 1 . . . A 30 ILE H . 17736 1 366 . 1 1 30 30 ILE HA H 1 3.82 0.02 . 1 . . . A 30 ILE HA . 17736 1 367 . 1 1 30 30 ILE HB H 1 1.99 0.02 . 1 . . . A 30 ILE HB . 17736 1 368 . 1 1 30 30 ILE HG12 H 1 1.13 0.02 . 2 . . . A 30 ILE HG12 . 17736 1 369 . 1 1 30 30 ILE HG13 H 1 1.51 0.02 . 2 . . . A 30 ILE HG13 . 17736 1 370 . 1 1 30 30 ILE HG21 H 1 0.80 0.02 . 1 . . . A 30 ILE HG21 . 17736 1 371 . 1 1 30 30 ILE HG22 H 1 0.80 0.02 . 1 . . . A 30 ILE HG22 . 17736 1 372 . 1 1 30 30 ILE HG23 H 1 0.80 0.02 . 1 . . . A 30 ILE HG23 . 17736 1 373 . 1 1 30 30 ILE HD11 H 1 0.87 0.02 . 1 . . . A 30 ILE HD11 . 17736 1 374 . 1 1 30 30 ILE HD12 H 1 0.87 0.02 . 1 . . . A 30 ILE HD12 . 17736 1 375 . 1 1 30 30 ILE HD13 H 1 0.87 0.02 . 1 . . . A 30 ILE HD13 . 17736 1 376 . 1 1 30 30 ILE C C 13 177.7 0.2 . 1 . . . A 30 ILE C . 17736 1 377 . 1 1 30 30 ILE CA C 13 63.4 0.2 . 1 . . . A 30 ILE CA . 17736 1 378 . 1 1 30 30 ILE CB C 13 37.9 0.2 . 1 . . . A 30 ILE CB . 17736 1 379 . 1 1 30 30 ILE CG1 C 13 28.7 0.2 . 1 . . . A 30 ILE CG1 . 17736 1 380 . 1 1 30 30 ILE CG2 C 13 17.4 0.2 . 1 . . . A 30 ILE CG2 . 17736 1 381 . 1 1 30 30 ILE CD1 C 13 12.4 0.2 . 1 . . . A 30 ILE CD1 . 17736 1 382 . 1 1 30 30 ILE N N 15 116.6 0.2 . 1 . . . A 30 ILE N . 17736 1 383 . 1 1 31 31 VAL H H 1 7.59 0.02 . 1 . . . A 31 VAL H . 17736 1 384 . 1 1 31 31 VAL HA H 1 3.34 0.02 . 1 . . . A 31 VAL HA . 17736 1 385 . 1 1 31 31 VAL HB H 1 2.12 0.02 . 1 . . . A 31 VAL HB . 17736 1 386 . 1 1 31 31 VAL HG11 H 1 1.03 0.02 . 1 . . . A 31 VAL HG11 . 17736 1 387 . 1 1 31 31 VAL HG12 H 1 1.03 0.02 . 1 . . . A 31 VAL HG12 . 17736 1 388 . 1 1 31 31 VAL HG13 H 1 1.03 0.02 . 1 . . . A 31 VAL HG13 . 17736 1 389 . 1 1 31 31 VAL HG21 H 1 0.86 0.02 . 1 . . . A 31 VAL HG21 . 17736 1 390 . 1 1 31 31 VAL HG22 H 1 0.86 0.02 . 1 . . . A 31 VAL HG22 . 17736 1 391 . 1 1 31 31 VAL HG23 H 1 0.86 0.02 . 1 . . . A 31 VAL HG23 . 17736 1 392 . 1 1 31 31 VAL C C 13 176.8 0.2 . 1 . . . A 31 VAL C . 17736 1 393 . 1 1 31 31 VAL CA C 13 67.6 0.2 . 1 . . . A 31 VAL CA . 17736 1 394 . 1 1 31 31 VAL CB C 13 32.1 0.2 . 1 . . . A 31 VAL CB . 17736 1 395 . 1 1 31 31 VAL CG1 C 13 22.9 0.2 . 1 . . . A 31 VAL CG1 . 17736 1 396 . 1 1 31 31 VAL CG2 C 13 24.9 0.2 . 1 . . . A 31 VAL CG2 . 17736 1 397 . 1 1 31 31 VAL N N 15 122.2 0.2 . 1 . . . A 31 VAL N . 17736 1 398 . 1 1 32 32 TRP H H 1 9.22 0.02 . 1 . . . A 32 TRP H . 17736 1 399 . 1 1 32 32 TRP HA H 1 3.53 0.02 . 1 . . . A 32 TRP HA . 17736 1 400 . 1 1 32 32 TRP HB2 H 1 2.79 0.02 . 2 . . . A 32 TRP HB2 . 17736 1 401 . 1 1 32 32 TRP HB3 H 1 2.99 0.02 . 2 . . . A 32 TRP HB3 . 17736 1 402 . 1 1 32 32 TRP HD1 H 1 6.88 0.02 . 1 . . . A 32 TRP HD1 . 17736 1 403 . 1 1 32 32 TRP HE1 H 1 10.13 0.02 . 1 . . . A 32 TRP HE1 . 17736 1 404 . 1 1 32 32 TRP HZ2 H 1 7.30 0.02 . 1 . . . A 32 TRP HZ2 . 17736 1 405 . 1 1 32 32 TRP HH2 H 1 7.18 0.02 . 1 . . . A 32 TRP HH2 . 17736 1 406 . 1 1 32 32 TRP C C 13 179.9 0.2 . 1 . . . A 32 TRP C . 17736 1 407 . 1 1 32 32 TRP CA C 13 60.9 0.2 . 1 . . . A 32 TRP CA . 17736 1 408 . 1 1 32 32 TRP CB C 13 28.6 0.2 . 1 . . . A 32 TRP CB . 17736 1 409 . 1 1 32 32 TRP CD1 C 13 127.2 0.2 . 1 . . . A 32 TRP CD1 . 17736 1 410 . 1 1 32 32 TRP CZ2 C 13 112.3 0.2 . 1 . . . A 32 TRP CZ2 . 17736 1 411 . 1 1 32 32 TRP CH2 C 13 123.3 0.2 . 1 . . . A 32 TRP CH2 . 17736 1 412 . 1 1 32 32 TRP N N 15 118.2 0.2 . 1 . . . A 32 TRP N . 17736 1 413 . 1 1 32 32 TRP NE1 N 15 129.5 0.2 . 1 . . . A 32 TRP NE1 . 17736 1 414 . 1 1 33 33 GLU H H 1 7.26 0.02 . 1 . . . A 33 GLU H . 17736 1 415 . 1 1 33 33 GLU HA H 1 3.52 0.02 . 1 . . . A 33 GLU HA . 17736 1 416 . 1 1 33 33 GLU HB2 H 1 1.99 0.02 . 2 . . . A 33 GLU HB2 . 17736 1 417 . 1 1 33 33 GLU HB3 H 1 2.14 0.02 . 2 . . . A 33 GLU HB3 . 17736 1 418 . 1 1 33 33 GLU HG2 H 1 2.30 0.02 . 2 . . . A 33 GLU HG2 . 17736 1 419 . 1 1 33 33 GLU HG3 H 1 2.47 0.02 . 2 . . . A 33 GLU HG3 . 17736 1 420 . 1 1 33 33 GLU C C 13 177.0 0.2 . 1 . . . A 33 GLU C . 17736 1 421 . 1 1 33 33 GLU CA C 13 59.9 0.2 . 1 . . . A 33 GLU CA . 17736 1 422 . 1 1 33 33 GLU CB C 13 29.4 0.2 . 1 . . . A 33 GLU CB . 17736 1 423 . 1 1 33 33 GLU CG C 13 36.8 0.2 . 1 . . . A 33 GLU CG . 17736 1 424 . 1 1 33 33 GLU N N 15 118.4 0.2 . 1 . . . A 33 GLU N . 17736 1 425 . 1 1 34 34 ALA H H 1 7.68 0.02 . 1 . . . A 34 ALA H . 17736 1 426 . 1 1 34 34 ALA HA H 1 3.99 0.02 . 1 . . . A 34 ALA HA . 17736 1 427 . 1 1 34 34 ALA HB1 H 1 1.28 0.02 . 1 . . . A 34 ALA HB1 . 17736 1 428 . 1 1 34 34 ALA HB2 H 1 1.28 0.02 . 1 . . . A 34 ALA HB2 . 17736 1 429 . 1 1 34 34 ALA HB3 H 1 1.28 0.02 . 1 . . . A 34 ALA HB3 . 17736 1 430 . 1 1 34 34 ALA C C 13 177.2 0.2 . 1 . . . A 34 ALA C . 17736 1 431 . 1 1 34 34 ALA CA C 13 53.9 0.2 . 1 . . . A 34 ALA CA . 17736 1 432 . 1 1 34 34 ALA CB C 13 18.1 0.2 . 1 . . . A 34 ALA CB . 17736 1 433 . 1 1 34 34 ALA N N 15 118.5 0.2 . 1 . . . A 34 ALA N . 17736 1 434 . 1 1 35 35 PHE H H 1 7.36 0.02 . 1 . . . A 35 PHE H . 17736 1 435 . 1 1 35 35 PHE HA H 1 4.48 0.02 . 1 . . . A 35 PHE HA . 17736 1 436 . 1 1 35 35 PHE HB2 H 1 2.90 0.02 . 2 . . . A 35 PHE HB2 . 17736 1 437 . 1 1 35 35 PHE HB3 H 1 3.23 0.02 . 2 . . . A 35 PHE HB3 . 17736 1 438 . 1 1 35 35 PHE HD1 H 1 7.14 0.02 . 3 . . . A 35 PHE HD1 . 17736 1 439 . 1 1 35 35 PHE HD2 H 1 7.14 0.02 . 3 . . . A 35 PHE HD2 . 17736 1 440 . 1 1 35 35 PHE HE1 H 1 7.38 0.02 . 3 . . . A 35 PHE HE1 . 17736 1 441 . 1 1 35 35 PHE HE2 H 1 7.38 0.02 . 3 . . . A 35 PHE HE2 . 17736 1 442 . 1 1 35 35 PHE C C 13 175.4 0.2 . 1 . . . A 35 PHE C . 17736 1 443 . 1 1 35 35 PHE CA C 13 59.4 0.2 . 1 . . . A 35 PHE CA . 17736 1 444 . 1 1 35 35 PHE CB C 13 42.4 0.2 . 1 . . . A 35 PHE CB . 17736 1 445 . 1 1 35 35 PHE CD1 C 13 131.0 0.2 . 3 . . . A 35 PHE CD1 . 17736 1 446 . 1 1 35 35 PHE CD2 C 13 131.0 0.2 . 3 . . . A 35 PHE CD2 . 17736 1 447 . 1 1 35 35 PHE CE1 C 13 129.5 0.2 . 3 . . . A 35 PHE CE1 . 17736 1 448 . 1 1 35 35 PHE CE2 C 13 129.5 0.2 . 3 . . . A 35 PHE CE2 . 17736 1 449 . 1 1 35 35 PHE N N 15 112.3 0.2 . 1 . . . A 35 PHE N . 17736 1 450 . 1 1 36 36 THR H H 1 6.74 0.02 . 1 . . . A 36 THR H . 17736 1 451 . 1 1 36 36 THR HA H 1 3.13 0.02 . 1 . . . A 36 THR HA . 17736 1 452 . 1 1 36 36 THR HB H 1 1.88 0.02 . 1 . . . A 36 THR HB . 17736 1 453 . 1 1 36 36 THR HG1 H 1 6.18 0.02 . 1 . . . A 36 THR HG1 . 17736 1 454 . 1 1 36 36 THR HG21 H 1 -0.94 0.02 . 1 . . . A 36 THR HG21 . 17736 1 455 . 1 1 36 36 THR HG22 H 1 -0.94 0.02 . 1 . . . A 36 THR HG22 . 17736 1 456 . 1 1 36 36 THR HG23 H 1 -0.94 0.02 . 1 . . . A 36 THR HG23 . 17736 1 457 . 1 1 36 36 THR C C 13 171.9 0.2 . 1 . . . A 36 THR C . 17736 1 458 . 1 1 36 36 THR CA C 13 61.5 0.2 . 1 . . . A 36 THR CA . 17736 1 459 . 1 1 36 36 THR CB C 13 70.1 0.2 . 1 . . . A 36 THR CB . 17736 1 460 . 1 1 36 36 THR CG2 C 13 21.7 0.2 . 1 . . . A 36 THR CG2 . 17736 1 461 . 1 1 36 36 THR N N 15 104.6 0.2 . 1 . . . A 36 THR N . 17736 1 462 . 1 1 37 37 ARG H H 1 6.84 0.02 . 1 . . . A 37 ARG H . 17736 1 463 . 1 1 37 37 ARG HA H 1 4.30 0.02 . 1 . . . A 37 ARG HA . 17736 1 464 . 1 1 37 37 ARG HB2 H 1 1.62 0.02 . 2 . . . A 37 ARG HB2 . 17736 1 465 . 1 1 37 37 ARG HB3 H 1 1.70 0.02 . 2 . . . A 37 ARG HB3 . 17736 1 466 . 1 1 37 37 ARG HG2 H 1 1.45 0.02 . 2 . . . A 37 ARG HG2 . 17736 1 467 . 1 1 37 37 ARG HG3 H 1 1.45 0.02 . 2 . . . A 37 ARG HG3 . 17736 1 468 . 1 1 37 37 ARG HD2 H 1 3.03 0.02 . 2 . . . A 37 ARG HD2 . 17736 1 469 . 1 1 37 37 ARG HD3 H 1 3.11 0.02 . 2 . . . A 37 ARG HD3 . 17736 1 470 . 1 1 37 37 ARG HE H 1 7.58 0.02 . 1 . . . A 37 ARG HE . 17736 1 471 . 1 1 37 37 ARG C C 13 176.6 0.2 . 1 . . . A 37 ARG C . 17736 1 472 . 1 1 37 37 ARG CA C 13 53.9 0.2 . 1 . . . A 37 ARG CA . 17736 1 473 . 1 1 37 37 ARG CB C 13 30.7 0.2 . 1 . . . A 37 ARG CB . 17736 1 474 . 1 1 37 37 ARG CG C 13 27.0 0.2 . 1 . . . A 37 ARG CG . 17736 1 475 . 1 1 37 37 ARG CD C 13 43.3 0.2 . 1 . . . A 37 ARG CD . 17736 1 476 . 1 1 37 37 ARG N N 15 118.3 0.2 . 1 . . . A 37 ARG N . 17736 1 477 . 1 1 37 37 ARG NE N 15 84.9 0.2 . 1 . . . A 37 ARG NE . 17736 1 478 . 1 1 38 38 ALA H H 1 8.71 0.02 . 1 . . . A 38 ALA H . 17736 1 479 . 1 1 38 38 ALA HA H 1 3.48 0.02 . 1 . . . A 38 ALA HA . 17736 1 480 . 1 1 38 38 ALA HB1 H 1 1.36 0.02 . 1 . . . A 38 ALA HB1 . 17736 1 481 . 1 1 38 38 ALA HB2 H 1 1.36 0.02 . 1 . . . A 38 ALA HB2 . 17736 1 482 . 1 1 38 38 ALA HB3 H 1 1.36 0.02 . 1 . . . A 38 ALA HB3 . 17736 1 483 . 1 1 38 38 ALA C C 13 176.8 0.2 . 1 . . . A 38 ALA C . 17736 1 484 . 1 1 38 38 ALA CA C 13 55.8 0.2 . 1 . . . A 38 ALA CA . 17736 1 485 . 1 1 38 38 ALA CB C 13 19.0 0.2 . 1 . . . A 38 ALA CB . 17736 1 486 . 1 1 38 38 ALA N N 15 130.9 0.2 . 1 . . . A 38 ALA N . 17736 1 487 . 1 1 39 39 GLU H H 1 9.33 0.02 . 1 . . . A 39 GLU H . 17736 1 488 . 1 1 39 39 GLU HA H 1 4.07 0.02 . 1 . . . A 39 GLU HA . 17736 1 489 . 1 1 39 39 GLU HB2 H 1 1.95 0.02 . 2 . . . A 39 GLU HB2 . 17736 1 490 . 1 1 39 39 GLU HB3 H 1 1.95 0.02 . 2 . . . A 39 GLU HB3 . 17736 1 491 . 1 1 39 39 GLU HG2 H 1 2.23 0.02 . 2 . . . A 39 GLU HG2 . 17736 1 492 . 1 1 39 39 GLU HG3 H 1 2.33 0.02 . 2 . . . A 39 GLU HG3 . 17736 1 493 . 1 1 39 39 GLU C C 13 178.1 0.2 . 1 . . . A 39 GLU C . 17736 1 494 . 1 1 39 39 GLU CA C 13 58.8 0.2 . 1 . . . A 39 GLU CA . 17736 1 495 . 1 1 39 39 GLU CB C 13 28.6 0.2 . 1 . . . A 39 GLU CB . 17736 1 496 . 1 1 39 39 GLU CG C 13 36.3 0.2 . 1 . . . A 39 GLU CG . 17736 1 497 . 1 1 39 39 GLU N N 15 112.6 0.2 . 1 . . . A 39 GLU N . 17736 1 498 . 1 1 40 40 ILE H H 1 7.20 0.02 . 1 . . . A 40 ILE H . 17736 1 499 . 1 1 40 40 ILE HA H 1 4.06 0.02 . 1 . . . A 40 ILE HA . 17736 1 500 . 1 1 40 40 ILE HB H 1 1.97 0.02 . 1 . . . A 40 ILE HB . 17736 1 501 . 1 1 40 40 ILE HG12 H 1 0.98 0.02 . 2 . . . A 40 ILE HG12 . 17736 1 502 . 1 1 40 40 ILE HG13 H 1 1.37 0.02 . 2 . . . A 40 ILE HG13 . 17736 1 503 . 1 1 40 40 ILE HG21 H 1 1.04 0.02 . 1 . . . A 40 ILE HG21 . 17736 1 504 . 1 1 40 40 ILE HG22 H 1 1.04 0.02 . 1 . . . A 40 ILE HG22 . 17736 1 505 . 1 1 40 40 ILE HG23 H 1 1.04 0.02 . 1 . . . A 40 ILE HG23 . 17736 1 506 . 1 1 40 40 ILE HD11 H 1 0.72 0.02 . 1 . . . A 40 ILE HD11 . 17736 1 507 . 1 1 40 40 ILE HD12 H 1 0.72 0.02 . 1 . . . A 40 ILE HD12 . 17736 1 508 . 1 1 40 40 ILE HD13 H 1 0.72 0.02 . 1 . . . A 40 ILE HD13 . 17736 1 509 . 1 1 40 40 ILE C C 13 177.4 0.2 . 1 . . . A 40 ILE C . 17736 1 510 . 1 1 40 40 ILE CA C 13 63.9 0.2 . 1 . . . A 40 ILE CA . 17736 1 511 . 1 1 40 40 ILE CB C 13 37.6 0.2 . 1 . . . A 40 ILE CB . 17736 1 512 . 1 1 40 40 ILE CG1 C 13 27.8 0.2 . 1 . . . A 40 ILE CG1 . 17736 1 513 . 1 1 40 40 ILE CG2 C 13 19.6 0.2 . 1 . . . A 40 ILE CG2 . 17736 1 514 . 1 1 40 40 ILE CD1 C 13 11.9 0.2 . 1 . . . A 40 ILE CD1 . 17736 1 515 . 1 1 40 40 ILE N N 15 118.2 0.2 . 1 . . . A 40 ILE N . 17736 1 516 . 1 1 41 41 LEU H H 1 8.38 0.02 . 1 . . . A 41 LEU H . 17736 1 517 . 1 1 41 41 LEU HA H 1 3.52 0.02 . 1 . . . A 41 LEU HA . 17736 1 518 . 1 1 41 41 LEU HB2 H 1 0.61 0.02 . 2 . . . A 41 LEU HB2 . 17736 1 519 . 1 1 41 41 LEU HB3 H 1 1.14 0.02 . 2 . . . A 41 LEU HB3 . 17736 1 520 . 1 1 41 41 LEU HG H 1 0.94 0.02 . 1 . . . A 41 LEU HG . 17736 1 521 . 1 1 41 41 LEU HD11 H 1 -1.24 0.02 . 1 . . . A 41 LEU HD11 . 17736 1 522 . 1 1 41 41 LEU HD12 H 1 -1.24 0.02 . 1 . . . A 41 LEU HD12 . 17736 1 523 . 1 1 41 41 LEU HD13 H 1 -1.24 0.02 . 1 . . . A 41 LEU HD13 . 17736 1 524 . 1 1 41 41 LEU HD21 H 1 -0.10 0.02 . 1 . . . A 41 LEU HD21 . 17736 1 525 . 1 1 41 41 LEU HD22 H 1 -0.10 0.02 . 1 . . . A 41 LEU HD22 . 17736 1 526 . 1 1 41 41 LEU HD23 H 1 -0.10 0.02 . 1 . . . A 41 LEU HD23 . 17736 1 527 . 1 1 41 41 LEU C C 13 179.0 0.2 . 1 . . . A 41 LEU C . 17736 1 528 . 1 1 41 41 LEU CA C 13 58.5 0.2 . 1 . . . A 41 LEU CA . 17736 1 529 . 1 1 41 41 LEU CB C 13 43.0 0.2 . 1 . . . A 41 LEU CB . 17736 1 530 . 1 1 41 41 LEU CG C 13 26.4 0.2 . 1 . . . A 41 LEU CG . 17736 1 531 . 1 1 41 41 LEU CD1 C 13 22.2 0.2 . 1 . . . A 41 LEU CD1 . 17736 1 532 . 1 1 41 41 LEU CD2 C 13 24.1 0.2 . 1 . . . A 41 LEU CD2 . 17736 1 533 . 1 1 41 41 LEU N N 15 123.4 0.2 . 1 . . . A 41 LEU N . 17736 1 534 . 1 1 42 42 ASP H H 1 8.30 0.02 . 1 . . . A 42 ASP H . 17736 1 535 . 1 1 42 42 ASP HA H 1 4.32 0.02 . 1 . . . A 42 ASP HA . 17736 1 536 . 1 1 42 42 ASP HB2 H 1 2.41 0.02 . 2 . . . A 42 ASP HB2 . 17736 1 537 . 1 1 42 42 ASP HB3 H 1 2.84 0.02 . 2 . . . A 42 ASP HB3 . 17736 1 538 . 1 1 42 42 ASP C C 13 179.0 0.2 . 1 . . . A 42 ASP C . 17736 1 539 . 1 1 42 42 ASP CA C 13 57.1 0.2 . 1 . . . A 42 ASP CA . 17736 1 540 . 1 1 42 42 ASP CB C 13 39.6 0.2 . 1 . . . A 42 ASP CB . 17736 1 541 . 1 1 42 42 ASP N N 15 116.4 0.2 . 1 . . . A 42 ASP N . 17736 1 542 . 1 1 43 43 GLN H H 1 8.17 0.02 . 1 . . . A 43 GLN H . 17736 1 543 . 1 1 43 43 GLN HA H 1 4.38 0.02 . 1 . . . A 43 GLN HA . 17736 1 544 . 1 1 43 43 GLN HB2 H 1 2.42 0.02 . 2 . . . A 43 GLN HB2 . 17736 1 545 . 1 1 43 43 GLN HB3 H 1 2.46 0.02 . 2 . . . A 43 GLN HB3 . 17736 1 546 . 1 1 43 43 GLN HG2 H 1 2.37 0.02 . 2 . . . A 43 GLN HG2 . 17736 1 547 . 1 1 43 43 GLN HG3 H 1 2.63 0.02 . 2 . . . A 43 GLN HG3 . 17736 1 548 . 1 1 43 43 GLN HE21 H 1 6.99 0.02 . 1 . . . A 43 GLN HE21 . 17736 1 549 . 1 1 43 43 GLN HE22 H 1 7.61 0.02 . 1 . . . A 43 GLN HE22 . 17736 1 550 . 1 1 43 43 GLN C C 13 176.9 0.2 . 1 . . . A 43 GLN C . 17736 1 551 . 1 1 43 43 GLN CA C 13 57.4 0.2 . 1 . . . A 43 GLN CA . 17736 1 552 . 1 1 43 43 GLN CB C 13 30.6 0.2 . 1 . . . A 43 GLN CB . 17736 1 553 . 1 1 43 43 GLN CG C 13 34.7 0.2 . 1 . . . A 43 GLN CG . 17736 1 554 . 1 1 43 43 GLN CD C 13 179.9 0.2 . 1 . . . A 43 GLN CD . 17736 1 555 . 1 1 43 43 GLN N N 15 115.4 0.2 . 1 . . . A 43 GLN N . 17736 1 556 . 1 1 43 43 GLN NE2 N 15 111.6 0.2 . 1 . . . A 43 GLN NE2 . 17736 1 557 . 1 1 44 44 TRP H H 1 7.80 0.02 . 1 . . . A 44 TRP H . 17736 1 558 . 1 1 44 44 TRP HA H 1 5.10 0.02 . 1 . . . A 44 TRP HA . 17736 1 559 . 1 1 44 44 TRP HB2 H 1 2.61 0.02 . 2 . . . A 44 TRP HB2 . 17736 1 560 . 1 1 44 44 TRP HB3 H 1 3.51 0.02 . 2 . . . A 44 TRP HB3 . 17736 1 561 . 1 1 44 44 TRP HD1 H 1 7.21 0.02 . 1 . . . A 44 TRP HD1 . 17736 1 562 . 1 1 44 44 TRP HE1 H 1 9.91 0.02 . 1 . . . A 44 TRP HE1 . 17736 1 563 . 1 1 44 44 TRP HE3 H 1 6.64 0.02 . 1 . . . A 44 TRP HE3 . 17736 1 564 . 1 1 44 44 TRP HZ2 H 1 5.83 0.02 . 1 . . . A 44 TRP HZ2 . 17736 1 565 . 1 1 44 44 TRP HZ3 H 1 7.71 0.02 . 1 . . . A 44 TRP HZ3 . 17736 1 566 . 1 1 44 44 TRP HH2 H 1 6.64 0.02 . 1 . . . A 44 TRP HH2 . 17736 1 567 . 1 1 44 44 TRP C C 13 174.4 0.2 . 1 . . . A 44 TRP C . 17736 1 568 . 1 1 44 44 TRP CA C 13 57.1 0.2 . 1 . . . A 44 TRP CA . 17736 1 569 . 1 1 44 44 TRP CB C 13 32.4 0.2 . 1 . . . A 44 TRP CB . 17736 1 570 . 1 1 44 44 TRP CD1 C 13 127.3 0.2 . 1 . . . A 44 TRP CD1 . 17736 1 571 . 1 1 44 44 TRP CE3 C 13 120.2 0.2 . 1 . . . A 44 TRP CE3 . 17736 1 572 . 1 1 44 44 TRP CZ2 C 13 113.3 0.2 . 1 . . . A 44 TRP CZ2 . 17736 1 573 . 1 1 44 44 TRP CZ3 C 13 123.5 0.2 . 1 . . . A 44 TRP CZ3 . 17736 1 574 . 1 1 44 44 TRP CH2 C 13 126.3 0.2 . 1 . . . A 44 TRP CH2 . 17736 1 575 . 1 1 44 44 TRP N N 15 115.6 0.2 . 1 . . . A 44 TRP N . 17736 1 576 . 1 1 45 45 TRP H H 1 8.08 0.02 . 1 . . . A 45 TRP H . 17736 1 577 . 1 1 45 45 TRP HA H 1 3.17 0.02 . 1 . . . A 45 TRP HA . 17736 1 578 . 1 1 45 45 TRP HB2 H 1 2.20 0.02 . 2 . . . A 45 TRP HB2 . 17736 1 579 . 1 1 45 45 TRP HB3 H 1 2.40 0.02 . 2 . . . A 45 TRP HB3 . 17736 1 580 . 1 1 45 45 TRP HD1 H 1 6.33 0.02 . 1 . . . A 45 TRP HD1 . 17736 1 581 . 1 1 45 45 TRP HE1 H 1 9.24 0.02 . 1 . . . A 45 TRP HE1 . 17736 1 582 . 1 1 45 45 TRP C C 13 173.9 0.2 . 1 . . . A 45 TRP C . 17736 1 583 . 1 1 45 45 TRP CA C 13 60.1 0.2 . 1 . . . A 45 TRP CA . 17736 1 584 . 1 1 45 45 TRP CB C 13 30.9 0.2 . 1 . . . A 45 TRP CB . 17736 1 585 . 1 1 45 45 TRP CD1 C 13 126.7 0.2 . 1 . . . A 45 TRP CD1 . 17736 1 586 . 1 1 45 45 TRP N N 15 122.1 0.2 . 1 . . . A 45 TRP N . 17736 1 587 . 1 1 46 46 ALA H H 1 7.43 0.02 . 1 . . . A 46 ALA H . 17736 1 588 . 1 1 46 46 ALA HA H 1 4.51 0.02 . 1 . . . A 46 ALA HA . 17736 1 589 . 1 1 46 46 ALA HB1 H 1 1.18 0.02 . 1 . . . A 46 ALA HB1 . 17736 1 590 . 1 1 46 46 ALA HB2 H 1 1.18 0.02 . 1 . . . A 46 ALA HB2 . 17736 1 591 . 1 1 46 46 ALA HB3 H 1 1.18 0.02 . 1 . . . A 46 ALA HB3 . 17736 1 592 . 1 1 46 46 ALA CA C 13 48.4 0.2 . 1 . . . A 46 ALA CA . 17736 1 593 . 1 1 46 46 ALA CB C 13 20.0 0.2 . 1 . . . A 46 ALA CB . 17736 1 594 . 1 1 46 46 ALA N N 15 113.0 0.2 . 1 . . . A 46 ALA N . 17736 1 595 . 1 1 47 47 PRO HA H 1 4.29 0.02 . 1 . . . A 47 PRO HA . 17736 1 596 . 1 1 47 47 PRO HB2 H 1 2.47 0.02 . 2 . . . A 47 PRO HB2 . 17736 1 597 . 1 1 47 47 PRO HB3 H 1 2.01 0.02 . 2 . . . A 47 PRO HB3 . 17736 1 598 . 1 1 47 47 PRO HG2 H 1 1.89 0.02 . 2 . . . A 47 PRO HG2 . 17736 1 599 . 1 1 47 47 PRO HG3 H 1 2.05 0.02 . 2 . . . A 47 PRO HG3 . 17736 1 600 . 1 1 47 47 PRO HD2 H 1 3.55 0.02 . 2 . . . A 47 PRO HD2 . 17736 1 601 . 1 1 47 47 PRO HD3 H 1 3.38 0.02 . 2 . . . A 47 PRO HD3 . 17736 1 602 . 1 1 47 47 PRO C C 13 176.6 0.2 . 1 . . . A 47 PRO C . 17736 1 603 . 1 1 47 47 PRO CA C 13 61.9 0.2 . 1 . . . A 47 PRO CA . 17736 1 604 . 1 1 47 47 PRO CB C 13 31.8 0.2 . 1 . . . A 47 PRO CB . 17736 1 605 . 1 1 47 47 PRO CG C 13 27.5 0.2 . 1 . . . A 47 PRO CG . 17736 1 606 . 1 1 47 47 PRO CD C 13 50.0 0.2 . 1 . . . A 47 PRO CD . 17736 1 607 . 1 1 48 48 LYS H H 1 9.15 0.02 . 1 . . . A 48 LYS H . 17736 1 608 . 1 1 48 48 LYS HA H 1 4.41 0.02 . 1 . . . A 48 LYS HA . 17736 1 609 . 1 1 48 48 LYS HB2 H 1 1.81 0.02 . 2 . . . A 48 LYS HB2 . 17736 1 610 . 1 1 48 48 LYS HB3 H 1 1.81 0.02 . 2 . . . A 48 LYS HB3 . 17736 1 611 . 1 1 48 48 LYS HG2 H 1 1.64 0.02 . 2 . . . A 48 LYS HG2 . 17736 1 612 . 1 1 48 48 LYS HG3 H 1 1.79 0.02 . 2 . . . A 48 LYS HG3 . 17736 1 613 . 1 1 48 48 LYS HD2 H 1 1.74 0.02 . 2 . . . A 48 LYS HD2 . 17736 1 614 . 1 1 48 48 LYS HD3 H 1 1.81 0.02 . 2 . . . A 48 LYS HD3 . 17736 1 615 . 1 1 48 48 LYS HE2 H 1 3.10 0.02 . 2 . . . A 48 LYS HE2 . 17736 1 616 . 1 1 48 48 LYS HE3 H 1 3.10 0.02 . 2 . . . A 48 LYS HE3 . 17736 1 617 . 1 1 48 48 LYS CA C 13 56.9 0.2 . 1 . . . A 48 LYS CA . 17736 1 618 . 1 1 48 48 LYS CB C 13 31.5 0.2 . 1 . . . A 48 LYS CB . 17736 1 619 . 1 1 48 48 LYS CG C 13 26.0 0.2 . 1 . . . A 48 LYS CG . 17736 1 620 . 1 1 48 48 LYS CD C 13 29.9 0.2 . 1 . . . A 48 LYS CD . 17736 1 621 . 1 1 48 48 LYS N N 15 124.2 0.2 . 1 . . . A 48 LYS N . 17736 1 622 . 1 1 49 49 PRO HA H 1 4.64 0.02 . 1 . . . A 49 PRO HA . 17736 1 623 . 1 1 49 49 PRO HB2 H 1 2.35 0.02 . 2 . . . A 49 PRO HB2 . 17736 1 624 . 1 1 49 49 PRO HB3 H 1 2.11 0.02 . 2 . . . A 49 PRO HB3 . 17736 1 625 . 1 1 49 49 PRO HG2 H 1 1.19 0.02 . 2 . . . A 49 PRO HG2 . 17736 1 626 . 1 1 49 49 PRO HG3 H 1 2.02 0.02 . 2 . . . A 49 PRO HG3 . 17736 1 627 . 1 1 49 49 PRO HD2 H 1 3.57 0.02 . 2 . . . A 49 PRO HD2 . 17736 1 628 . 1 1 49 49 PRO HD3 H 1 3.57 0.02 . 2 . . . A 49 PRO HD3 . 17736 1 629 . 1 1 49 49 PRO C C 13 175.9 0.2 . 1 . . . A 49 PRO C . 17736 1 630 . 1 1 49 49 PRO CA C 13 63.9 0.2 . 1 . . . A 49 PRO CA . 17736 1 631 . 1 1 49 49 PRO CB C 13 33.0 0.2 . 1 . . . A 49 PRO CB . 17736 1 632 . 1 1 49 49 PRO CG C 13 24.4 0.2 . 1 . . . A 49 PRO CG . 17736 1 633 . 1 1 49 49 PRO CD C 13 50.0 0.2 . 1 . . . A 49 PRO CD . 17736 1 634 . 1 1 50 50 TRP H H 1 9.43 0.02 . 1 . . . A 50 TRP H . 17736 1 635 . 1 1 50 50 TRP HA H 1 4.51 0.02 . 1 . . . A 50 TRP HA . 17736 1 636 . 1 1 50 50 TRP HB2 H 1 2.92 0.02 . 2 . . . A 50 TRP HB2 . 17736 1 637 . 1 1 50 50 TRP HB3 H 1 3.57 0.02 . 2 . . . A 50 TRP HB3 . 17736 1 638 . 1 1 50 50 TRP HD1 H 1 7.08 0.02 . 1 . . . A 50 TRP HD1 . 17736 1 639 . 1 1 50 50 TRP HE1 H 1 10.37 0.02 . 1 . . . A 50 TRP HE1 . 17736 1 640 . 1 1 50 50 TRP HE3 H 1 7.11 0.02 . 1 . . . A 50 TRP HE3 . 17736 1 641 . 1 1 50 50 TRP HZ2 H 1 7.48 0.02 . 1 . . . A 50 TRP HZ2 . 17736 1 642 . 1 1 50 50 TRP HZ3 H 1 6.77 0.02 . 1 . . . A 50 TRP HZ3 . 17736 1 643 . 1 1 50 50 TRP HH2 H 1 6.99 0.02 . 1 . . . A 50 TRP HH2 . 17736 1 644 . 1 1 50 50 TRP C C 13 174.1 0.2 . 1 . . . A 50 TRP C . 17736 1 645 . 1 1 50 50 TRP CA C 13 58.9 0.2 . 1 . . . A 50 TRP CA . 17736 1 646 . 1 1 50 50 TRP CB C 13 29.7 0.2 . 1 . . . A 50 TRP CB . 17736 1 647 . 1 1 50 50 TRP CD1 C 13 126.3 0.2 . 1 . . . A 50 TRP CD1 . 17736 1 648 . 1 1 50 50 TRP CE3 C 13 120.3 0.2 . 1 . . . A 50 TRP CE3 . 17736 1 649 . 1 1 50 50 TRP CZ2 C 13 114.6 0.2 . 1 . . . A 50 TRP CZ2 . 17736 1 650 . 1 1 50 50 TRP CZ3 C 13 122.0 0.2 . 1 . . . A 50 TRP CZ3 . 17736 1 651 . 1 1 50 50 TRP CH2 C 13 124.7 0.2 . 1 . . . A 50 TRP CH2 . 17736 1 652 . 1 1 50 50 TRP N N 15 128.1 0.2 . 1 . . . A 50 TRP N . 17736 1 653 . 1 1 50 50 TRP NE1 N 15 130.3 0.2 . 1 . . . A 50 TRP NE1 . 17736 1 654 . 1 1 51 51 LYS H H 1 8.60 0.02 . 1 . . . A 51 LYS H . 17736 1 655 . 1 1 51 51 LYS HA H 1 4.57 0.02 . 1 . . . A 51 LYS HA . 17736 1 656 . 1 1 51 51 LYS HB2 H 1 1.63 0.02 . 2 . . . A 51 LYS HB2 . 17736 1 657 . 1 1 51 51 LYS HB3 H 1 1.83 0.02 . 2 . . . A 51 LYS HB3 . 17736 1 658 . 1 1 51 51 LYS HG2 H 1 1.40 0.02 . 2 . . . A 51 LYS HG2 . 17736 1 659 . 1 1 51 51 LYS HG3 H 1 1.40 0.02 . 2 . . . A 51 LYS HG3 . 17736 1 660 . 1 1 51 51 LYS HD2 H 1 1.76 0.02 . 2 . . . A 51 LYS HD2 . 17736 1 661 . 1 1 51 51 LYS HD3 H 1 1.76 0.02 . 2 . . . A 51 LYS HD3 . 17736 1 662 . 1 1 51 51 LYS HE2 H 1 3.02 0.02 . 2 . . . A 51 LYS HE2 . 17736 1 663 . 1 1 51 51 LYS HE3 H 1 3.02 0.02 . 2 . . . A 51 LYS HE3 . 17736 1 664 . 1 1 51 51 LYS C C 13 174.2 0.2 . 1 . . . A 51 LYS C . 17736 1 665 . 1 1 51 51 LYS CA C 13 55.4 0.2 . 1 . . . A 51 LYS CA . 17736 1 666 . 1 1 51 51 LYS CB C 13 36.3 0.2 . 1 . . . A 51 LYS CB . 17736 1 667 . 1 1 51 51 LYS CG C 13 24.7 0.2 . 1 . . . A 51 LYS CG . 17736 1 668 . 1 1 51 51 LYS CD C 13 29.1 0.2 . 1 . . . A 51 LYS CD . 17736 1 669 . 1 1 51 51 LYS CE C 13 42.5 0.2 . 1 . . . A 51 LYS CE . 17736 1 670 . 1 1 51 51 LYS N N 15 119.2 0.2 . 1 . . . A 51 LYS N . 17736 1 671 . 1 1 52 52 ALA H H 1 8.78 0.02 . 1 . . . A 52 ALA H . 17736 1 672 . 1 1 52 52 ALA HA H 1 5.41 0.02 . 1 . . . A 52 ALA HA . 17736 1 673 . 1 1 52 52 ALA HB1 H 1 1.39 0.02 . 1 . . . A 52 ALA HB1 . 17736 1 674 . 1 1 52 52 ALA HB2 H 1 1.39 0.02 . 1 . . . A 52 ALA HB2 . 17736 1 675 . 1 1 52 52 ALA HB3 H 1 1.39 0.02 . 1 . . . A 52 ALA HB3 . 17736 1 676 . 1 1 52 52 ALA C C 13 176.3 0.2 . 1 . . . A 52 ALA C . 17736 1 677 . 1 1 52 52 ALA CA C 13 51.1 0.2 . 1 . . . A 52 ALA CA . 17736 1 678 . 1 1 52 52 ALA CB C 13 19.8 0.2 . 1 . . . A 52 ALA CB . 17736 1 679 . 1 1 52 52 ALA N N 15 128.7 0.2 . 1 . . . A 52 ALA N . 17736 1 680 . 1 1 53 53 LYS H H 1 9.08 0.02 . 1 . . . A 53 LYS H . 17736 1 681 . 1 1 53 53 LYS HA H 1 4.61 0.02 . 1 . . . A 53 LYS HA . 17736 1 682 . 1 1 53 53 LYS HB2 H 1 1.50 0.02 . 2 . . . A 53 LYS HB2 . 17736 1 683 . 1 1 53 53 LYS HB3 H 1 1.66 0.02 . 2 . . . A 53 LYS HB3 . 17736 1 684 . 1 1 53 53 LYS HG2 H 1 1.23 0.02 . 2 . . . A 53 LYS HG2 . 17736 1 685 . 1 1 53 53 LYS HG3 H 1 1.33 0.02 . 2 . . . A 53 LYS HG3 . 17736 1 686 . 1 1 53 53 LYS HD2 H 1 1.76 0.02 . 2 . . . A 53 LYS HD2 . 17736 1 687 . 1 1 53 53 LYS HD3 H 1 1.76 0.02 . 2 . . . A 53 LYS HD3 . 17736 1 688 . 1 1 53 53 LYS HE2 H 1 2.91 0.02 . 2 . . . A 53 LYS HE2 . 17736 1 689 . 1 1 53 53 LYS HE3 H 1 2.91 0.02 . 2 . . . A 53 LYS HE3 . 17736 1 690 . 1 1 53 53 LYS C C 13 176.7 0.2 . 1 . . . A 53 LYS C . 17736 1 691 . 1 1 53 53 LYS CA C 13 54.7 0.2 . 1 . . . A 53 LYS CA . 17736 1 692 . 1 1 53 53 LYS CB C 13 35.0 0.2 . 1 . . . A 53 LYS CB . 17736 1 693 . 1 1 53 53 LYS CG C 13 24.8 0.2 . 1 . . . A 53 LYS CG . 17736 1 694 . 1 1 53 53 LYS CD C 13 29.4 0.2 . 1 . . . A 53 LYS CD . 17736 1 695 . 1 1 53 53 LYS CE C 13 42.2 0.2 . 1 . . . A 53 LYS CE . 17736 1 696 . 1 1 53 53 LYS N N 15 120.8 0.2 . 1 . . . A 53 LYS N . 17736 1 697 . 1 1 54 54 THR H H 1 10.76 0.02 . 1 . . . A 54 THR H . 17736 1 698 . 1 1 54 54 THR HA H 1 4.18 0.02 . 1 . . . A 54 THR HA . 17736 1 699 . 1 1 54 54 THR HB H 1 4.33 0.02 . 1 . . . A 54 THR HB . 17736 1 700 . 1 1 54 54 THR HG21 H 1 1.33 0.02 . 1 . . . A 54 THR HG21 . 17736 1 701 . 1 1 54 54 THR HG22 H 1 1.33 0.02 . 1 . . . A 54 THR HG22 . 17736 1 702 . 1 1 54 54 THR HG23 H 1 1.33 0.02 . 1 . . . A 54 THR HG23 . 17736 1 703 . 1 1 54 54 THR C C 13 174.8 0.2 . 1 . . . A 54 THR C . 17736 1 704 . 1 1 54 54 THR CA C 13 67.4 0.2 . 1 . . . A 54 THR CA . 17736 1 705 . 1 1 54 54 THR CB C 13 68.3 0.2 . 1 . . . A 54 THR CB . 17736 1 706 . 1 1 54 54 THR CG2 C 13 22.6 0.2 . 1 . . . A 54 THR CG2 . 17736 1 707 . 1 1 54 54 THR N N 15 130.3 0.2 . 1 . . . A 54 THR N . 17736 1 708 . 1 1 55 55 LYS H H 1 9.61 0.02 . 1 . . . A 55 LYS H . 17736 1 709 . 1 1 55 55 LYS HA H 1 4.64 0.02 . 1 . . . A 55 LYS HA . 17736 1 710 . 1 1 55 55 LYS HB2 H 1 1.91 0.02 . 2 . . . A 55 LYS HB2 . 17736 1 711 . 1 1 55 55 LYS HB3 H 1 2.20 0.02 . 2 . . . A 55 LYS HB3 . 17736 1 712 . 1 1 55 55 LYS HG2 H 1 1.48 0.02 . 2 . . . A 55 LYS HG2 . 17736 1 713 . 1 1 55 55 LYS HG3 H 1 1.55 0.02 . 2 . . . A 55 LYS HG3 . 17736 1 714 . 1 1 55 55 LYS HD2 H 1 1.69 0.02 . 2 . . . A 55 LYS HD2 . 17736 1 715 . 1 1 55 55 LYS HD3 H 1 1.69 0.02 . 2 . . . A 55 LYS HD3 . 17736 1 716 . 1 1 55 55 LYS HE2 H 1 2.92 0.02 . 2 . . . A 55 LYS HE2 . 17736 1 717 . 1 1 55 55 LYS HE3 H 1 2.92 0.02 . 2 . . . A 55 LYS HE3 . 17736 1 718 . 1 1 55 55 LYS C C 13 175.9 0.2 . 1 . . . A 55 LYS C . 17736 1 719 . 1 1 55 55 LYS CA C 13 57.6 0.2 . 1 . . . A 55 LYS CA . 17736 1 720 . 1 1 55 55 LYS CB C 13 34.4 0.2 . 1 . . . A 55 LYS CB . 17736 1 721 . 1 1 55 55 LYS CG C 13 25.0 0.2 . 1 . . . A 55 LYS CG . 17736 1 722 . 1 1 55 55 LYS CD C 13 29.4 0.2 . 1 . . . A 55 LYS CD . 17736 1 723 . 1 1 55 55 LYS CE C 13 42.4 0.2 . 1 . . . A 55 LYS CE . 17736 1 724 . 1 1 55 55 LYS N N 15 130.3 0.2 . 1 . . . A 55 LYS N . 17736 1 725 . 1 1 56 56 SER H H 1 8.28 0.02 . 1 . . . A 56 SER H . 17736 1 726 . 1 1 56 56 SER HA H 1 4.68 0.02 . 1 . . . A 56 SER HA . 17736 1 727 . 1 1 56 56 SER HB2 H 1 3.82 0.02 . 2 . . . A 56 SER HB2 . 17736 1 728 . 1 1 56 56 SER HB3 H 1 3.89 0.02 . 2 . . . A 56 SER HB3 . 17736 1 729 . 1 1 56 56 SER C C 13 171.8 0.2 . 1 . . . A 56 SER C . 17736 1 730 . 1 1 56 56 SER CA C 13 57.8 0.2 . 1 . . . A 56 SER CA . 17736 1 731 . 1 1 56 56 SER CB C 13 65.0 0.2 . 1 . . . A 56 SER CB . 17736 1 732 . 1 1 56 56 SER N N 15 112.3 0.2 . 1 . . . A 56 SER N . 17736 1 733 . 1 1 57 57 MET H H 1 8.81 0.02 . 1 . . . A 57 MET H . 17736 1 734 . 1 1 57 57 MET HA H 1 5.43 0.02 . 1 . . . A 57 MET HA . 17736 1 735 . 1 1 57 57 MET HB2 H 1 1.99 0.02 . 2 . . . A 57 MET HB2 . 17736 1 736 . 1 1 57 57 MET HB3 H 1 2.03 0.02 . 2 . . . A 57 MET HB3 . 17736 1 737 . 1 1 57 57 MET HG2 H 1 2.24 0.02 . 2 . . . A 57 MET HG2 . 17736 1 738 . 1 1 57 57 MET HG3 H 1 2.44 0.02 . 2 . . . A 57 MET HG3 . 17736 1 739 . 1 1 57 57 MET HE1 H 1 0.80 0.02 . 1 . . . A 57 MET HE1 . 17736 1 740 . 1 1 57 57 MET HE2 H 1 0.80 0.02 . 1 . . . A 57 MET HE2 . 17736 1 741 . 1 1 57 57 MET HE3 H 1 0.80 0.02 . 1 . . . A 57 MET HE3 . 17736 1 742 . 1 1 57 57 MET C C 13 173.6 0.2 . 1 . . . A 57 MET C . 17736 1 743 . 1 1 57 57 MET CA C 13 55.7 0.2 . 1 . . . A 57 MET CA . 17736 1 744 . 1 1 57 57 MET CB C 13 36.5 0.2 . 1 . . . A 57 MET CB . 17736 1 745 . 1 1 57 57 MET CG C 13 33.3 0.2 . 1 . . . A 57 MET CG . 17736 1 746 . 1 1 57 57 MET CE C 13 18.0 0.2 . 1 . . . A 57 MET CE . 17736 1 747 . 1 1 57 57 MET N N 15 124.2 0.2 . 1 . . . A 57 MET N . 17736 1 748 . 1 1 58 58 ASP H H 1 8.39 0.02 . 1 . . . A 58 ASP H . 17736 1 749 . 1 1 58 58 ASP HA H 1 4.86 0.02 . 1 . . . A 58 ASP HA . 17736 1 750 . 1 1 58 58 ASP HB2 H 1 2.67 0.02 . 2 . . . A 58 ASP HB2 . 17736 1 751 . 1 1 58 58 ASP HB3 H 1 2.98 0.02 . 2 . . . A 58 ASP HB3 . 17736 1 752 . 1 1 58 58 ASP C C 13 173.5 0.2 . 1 . . . A 58 ASP C . 17736 1 753 . 1 1 58 58 ASP CA C 13 53.2 0.2 . 1 . . . A 58 ASP CA . 17736 1 754 . 1 1 58 58 ASP CB C 13 41.8 0.2 . 1 . . . A 58 ASP CB . 17736 1 755 . 1 1 58 58 ASP N N 15 130.7 0.2 . 1 . . . A 58 ASP N . 17736 1 756 . 1 1 59 59 PHE H H 1 8.65 0.02 . 1 . . . A 59 PHE H . 17736 1 757 . 1 1 59 59 PHE HA H 1 4.08 0.02 . 1 . . . A 59 PHE HA . 17736 1 758 . 1 1 59 59 PHE HB2 H 1 2.84 0.02 . 2 . . . A 59 PHE HB2 . 17736 1 759 . 1 1 59 59 PHE HB3 H 1 2.84 0.02 . 2 . . . A 59 PHE HB3 . 17736 1 760 . 1 1 59 59 PHE HD1 H 1 6.34 0.02 . 3 . . . A 59 PHE HD1 . 17736 1 761 . 1 1 59 59 PHE HD2 H 1 6.34 0.02 . 3 . . . A 59 PHE HD2 . 17736 1 762 . 1 1 59 59 PHE HE1 H 1 6.21 0.02 . 3 . . . A 59 PHE HE1 . 17736 1 763 . 1 1 59 59 PHE HE2 H 1 6.21 0.02 . 3 . . . A 59 PHE HE2 . 17736 1 764 . 1 1 59 59 PHE C C 13 172.6 0.2 . 1 . . . A 59 PHE C . 17736 1 765 . 1 1 59 59 PHE CA C 13 58.0 0.2 . 1 . . . A 59 PHE CA . 17736 1 766 . 1 1 59 59 PHE CB C 13 36.8 0.2 . 1 . . . A 59 PHE CB . 17736 1 767 . 1 1 59 59 PHE CD1 C 13 131.6 0.2 . 3 . . . A 59 PHE CD1 . 17736 1 768 . 1 1 59 59 PHE CD2 C 13 131.6 0.2 . 3 . . . A 59 PHE CD2 . 17736 1 769 . 1 1 59 59 PHE CE1 C 13 129.9 0.2 . 3 . . . A 59 PHE CE1 . 17736 1 770 . 1 1 59 59 PHE CE2 C 13 129.9 0.2 . 3 . . . A 59 PHE CE2 . 17736 1 771 . 1 1 59 59 PHE N N 15 124.2 0.2 . 1 . . . A 59 PHE N . 17736 1 772 . 1 1 60 60 LYS H H 1 7.55 0.02 . 1 . . . A 60 LYS H . 17736 1 773 . 1 1 60 60 LYS HA H 1 4.07 0.02 . 1 . . . A 60 LYS HA . 17736 1 774 . 1 1 60 60 LYS HB2 H 1 1.54 0.02 . 2 . . . A 60 LYS HB2 . 17736 1 775 . 1 1 60 60 LYS HB3 H 1 1.79 0.02 . 2 . . . A 60 LYS HB3 . 17736 1 776 . 1 1 60 60 LYS HG2 H 1 0.85 0.02 . 2 . . . A 60 LYS HG2 . 17736 1 777 . 1 1 60 60 LYS HG3 H 1 1.17 0.02 . 2 . . . A 60 LYS HG3 . 17736 1 778 . 1 1 60 60 LYS HD2 H 1 1.58 0.02 . 2 . . . A 60 LYS HD2 . 17736 1 779 . 1 1 60 60 LYS HD3 H 1 1.58 0.02 . 2 . . . A 60 LYS HD3 . 17736 1 780 . 1 1 60 60 LYS HE2 H 1 2.90 0.02 . 2 . . . A 60 LYS HE2 . 17736 1 781 . 1 1 60 60 LYS HE3 H 1 2.90 0.02 . 2 . . . A 60 LYS HE3 . 17736 1 782 . 1 1 60 60 LYS C C 13 175.3 0.2 . 1 . . . A 60 LYS C . 17736 1 783 . 1 1 60 60 LYS CA C 13 54.4 0.2 . 1 . . . A 60 LYS CA . 17736 1 784 . 1 1 60 60 LYS CB C 13 34.7 0.2 . 1 . . . A 60 LYS CB . 17736 1 785 . 1 1 60 60 LYS CG C 13 22.8 0.2 . 1 . . . A 60 LYS CG . 17736 1 786 . 1 1 60 60 LYS CD C 13 29.5 0.2 . 1 . . . A 60 LYS CD . 17736 1 787 . 1 1 60 60 LYS CE C 13 42.0 0.2 . 1 . . . A 60 LYS CE . 17736 1 788 . 1 1 60 60 LYS N N 15 124.0 0.2 . 1 . . . A 60 LYS N . 17736 1 789 . 1 1 61 61 GLU H H 1 8.84 0.02 . 1 . . . A 61 GLU H . 17736 1 790 . 1 1 61 61 GLU HA H 1 3.62 0.02 . 1 . . . A 61 GLU HA . 17736 1 791 . 1 1 61 61 GLU HB2 H 1 1.99 0.02 . 2 . . . A 61 GLU HB2 . 17736 1 792 . 1 1 61 61 GLU HB3 H 1 1.99 0.02 . 2 . . . A 61 GLU HB3 . 17736 1 793 . 1 1 61 61 GLU HG2 H 1 2.20 0.02 . 2 . . . A 61 GLU HG2 . 17736 1 794 . 1 1 61 61 GLU HG3 H 1 2.44 0.02 . 2 . . . A 61 GLU HG3 . 17736 1 795 . 1 1 61 61 GLU C C 13 178.1 0.2 . 1 . . . A 61 GLU C . 17736 1 796 . 1 1 61 61 GLU CA C 13 59.7 0.2 . 1 . . . A 61 GLU CA . 17736 1 797 . 1 1 61 61 GLU CB C 13 28.4 0.2 . 1 . . . A 61 GLU CB . 17736 1 798 . 1 1 61 61 GLU CG C 13 37.5 0.2 . 1 . . . A 61 GLU CG . 17736 1 799 . 1 1 61 61 GLU N N 15 123.3 0.2 . 1 . . . A 61 GLU N . 17736 1 800 . 1 1 62 62 GLY H H 1 8.53 0.02 . 1 . . . A 62 GLY H . 17736 1 801 . 1 1 62 62 GLY HA2 H 1 3.96 0.02 . 2 . . . A 62 GLY HA2 . 17736 1 802 . 1 1 62 62 GLY HA3 H 1 4.36 0.02 . 2 . . . A 62 GLY HA3 . 17736 1 803 . 1 1 62 62 GLY C C 13 174.7 0.2 . 1 . . . A 62 GLY C . 17736 1 804 . 1 1 62 62 GLY CA C 13 45.9 0.2 . 1 . . . A 62 GLY CA . 17736 1 805 . 1 1 62 62 GLY N N 15 114.5 0.2 . 1 . . . A 62 GLY N . 17736 1 806 . 1 1 63 63 GLY H H 1 8.77 0.02 . 1 . . . A 63 GLY H . 17736 1 807 . 1 1 63 63 GLY HA2 H 1 4.49 0.02 . 2 . . . A 63 GLY HA2 . 17736 1 808 . 1 1 63 63 GLY HA3 H 1 4.59 0.02 . 2 . . . A 63 GLY HA3 . 17736 1 809 . 1 1 63 63 GLY C C 13 173.1 0.2 . 1 . . . A 63 GLY C . 17736 1 810 . 1 1 63 63 GLY CA C 13 44.1 0.2 . 1 . . . A 63 GLY CA . 17736 1 811 . 1 1 63 63 GLY N N 15 110.6 0.2 . 1 . . . A 63 GLY N . 17736 1 812 . 1 1 64 64 THR H H 1 7.78 0.02 . 1 . . . A 64 THR H . 17736 1 813 . 1 1 64 64 THR HA H 1 5.67 0.02 . 1 . . . A 64 THR HA . 17736 1 814 . 1 1 64 64 THR HB H 1 4.01 0.02 . 1 . . . A 64 THR HB . 17736 1 815 . 1 1 64 64 THR HG21 H 1 1.23 0.02 . 1 . . . A 64 THR HG21 . 17736 1 816 . 1 1 64 64 THR HG22 H 1 1.23 0.02 . 1 . . . A 64 THR HG22 . 17736 1 817 . 1 1 64 64 THR HG23 H 1 1.23 0.02 . 1 . . . A 64 THR HG23 . 17736 1 818 . 1 1 64 64 THR C C 13 174.0 0.2 . 1 . . . A 64 THR C . 17736 1 819 . 1 1 64 64 THR CA C 13 60.7 0.2 . 1 . . . A 64 THR CA . 17736 1 820 . 1 1 64 64 THR CB C 13 73.9 0.2 . 1 . . . A 64 THR CB . 17736 1 821 . 1 1 64 64 THR CG2 C 13 22.7 0.2 . 1 . . . A 64 THR CG2 . 17736 1 822 . 1 1 64 64 THR N N 15 109.5 0.2 . 1 . . . A 64 THR N . 17736 1 823 . 1 1 65 65 TRP H H 1 9.38 0.02 . 1 . . . A 65 TRP H . 17736 1 824 . 1 1 65 65 TRP HA H 1 5.72 0.02 . 1 . . . A 65 TRP HA . 17736 1 825 . 1 1 65 65 TRP HB2 H 1 3.32 0.02 . 2 . . . A 65 TRP HB2 . 17736 1 826 . 1 1 65 65 TRP HB3 H 1 3.58 0.02 . 2 . . . A 65 TRP HB3 . 17736 1 827 . 1 1 65 65 TRP HD1 H 1 7.34 0.02 . 1 . . . A 65 TRP HD1 . 17736 1 828 . 1 1 65 65 TRP HE1 H 1 10.97 0.02 . 1 . . . A 65 TRP HE1 . 17736 1 829 . 1 1 65 65 TRP HZ2 H 1 5.85 0.02 . 1 . . . A 65 TRP HZ2 . 17736 1 830 . 1 1 65 65 TRP C C 13 175.2 0.2 . 1 . . . A 65 TRP C . 17736 1 831 . 1 1 65 65 TRP CA C 13 54.8 0.2 . 1 . . . A 65 TRP CA . 17736 1 832 . 1 1 65 65 TRP CB C 13 32.4 0.2 . 1 . . . A 65 TRP CB . 17736 1 833 . 1 1 65 65 TRP CD1 C 13 122.2 0.2 . 1 . . . A 65 TRP CD1 . 17736 1 834 . 1 1 65 65 TRP CZ2 C 13 113.0 0.2 . 1 . . . A 65 TRP CZ2 . 17736 1 835 . 1 1 65 65 TRP N N 15 128.4 0.2 . 1 . . . A 65 TRP N . 17736 1 836 . 1 1 65 65 TRP NE1 N 15 130.1 0.2 . 1 . . . A 65 TRP NE1 . 17736 1 837 . 1 1 66 66 LEU H H 1 9.22 0.02 . 1 . . . A 66 LEU H . 17736 1 838 . 1 1 66 66 LEU HA H 1 5.24 0.02 . 1 . . . A 66 LEU HA . 17736 1 839 . 1 1 66 66 LEU HB2 H 1 1.41 0.02 . 2 . . . A 66 LEU HB2 . 17736 1 840 . 1 1 66 66 LEU HB3 H 1 2.01 0.02 . 2 . . . A 66 LEU HB3 . 17736 1 841 . 1 1 66 66 LEU HG H 1 1.59 0.02 . 1 . . . A 66 LEU HG . 17736 1 842 . 1 1 66 66 LEU HD11 H 1 0.97 0.02 . 1 . . . A 66 LEU HD11 . 17736 1 843 . 1 1 66 66 LEU HD12 H 1 0.97 0.02 . 1 . . . A 66 LEU HD12 . 17736 1 844 . 1 1 66 66 LEU HD13 H 1 0.97 0.02 . 1 . . . A 66 LEU HD13 . 17736 1 845 . 1 1 66 66 LEU HD21 H 1 0.78 0.02 . 1 . . . A 66 LEU HD21 . 17736 1 846 . 1 1 66 66 LEU HD22 H 1 0.78 0.02 . 1 . . . A 66 LEU HD22 . 17736 1 847 . 1 1 66 66 LEU HD23 H 1 0.78 0.02 . 1 . . . A 66 LEU HD23 . 17736 1 848 . 1 1 66 66 LEU C C 13 175.0 0.2 . 1 . . . A 66 LEU C . 17736 1 849 . 1 1 66 66 LEU CA C 13 54.0 0.2 . 1 . . . A 66 LEU CA . 17736 1 850 . 1 1 66 66 LEU CB C 13 44.7 0.2 . 1 . . . A 66 LEU CB . 17736 1 851 . 1 1 66 66 LEU CG C 13 28.4 0.2 . 1 . . . A 66 LEU CG . 17736 1 852 . 1 1 66 66 LEU CD1 C 13 24.4 0.2 . 1 . . . A 66 LEU CD1 . 17736 1 853 . 1 1 66 66 LEU CD2 C 13 26.2 0.2 . 1 . . . A 66 LEU CD2 . 17736 1 854 . 1 1 66 66 LEU N N 15 128.9 0.2 . 1 . . . A 66 LEU N . 17736 1 855 . 1 1 67 67 TYR H H 1 8.54 0.02 . 1 . . . A 67 TYR H . 17736 1 856 . 1 1 67 67 TYR HA H 1 5.08 0.02 . 1 . . . A 67 TYR HA . 17736 1 857 . 1 1 67 67 TYR HB2 H 1 2.29 0.02 . 2 . . . A 67 TYR HB2 . 17736 1 858 . 1 1 67 67 TYR HB3 H 1 2.51 0.02 . 2 . . . A 67 TYR HB3 . 17736 1 859 . 1 1 67 67 TYR HD1 H 1 7.30 0.02 . 3 . . . A 67 TYR HD1 . 17736 1 860 . 1 1 67 67 TYR HD2 H 1 7.30 0.02 . 3 . . . A 67 TYR HD2 . 17736 1 861 . 1 1 67 67 TYR C C 13 170.1 0.2 . 1 . . . A 67 TYR C . 17736 1 862 . 1 1 67 67 TYR CA C 13 55.6 0.2 . 1 . . . A 67 TYR CA . 17736 1 863 . 1 1 67 67 TYR CB C 13 41.6 0.2 . 1 . . . A 67 TYR CB . 17736 1 864 . 1 1 67 67 TYR N N 15 124.2 0.2 . 1 . . . A 67 TYR N . 17736 1 865 . 1 1 68 68 ALA H H 1 8.13 0.02 . 1 . . . A 68 ALA H . 17736 1 866 . 1 1 68 68 ALA HA H 1 4.28 0.02 . 1 . . . A 68 ALA HA . 17736 1 867 . 1 1 68 68 ALA HB1 H 1 -0.15 0.02 . 1 . . . A 68 ALA HB1 . 17736 1 868 . 1 1 68 68 ALA HB2 H 1 -0.15 0.02 . 1 . . . A 68 ALA HB2 . 17736 1 869 . 1 1 68 68 ALA HB3 H 1 -0.15 0.02 . 1 . . . A 68 ALA HB3 . 17736 1 870 . 1 1 68 68 ALA C C 13 177.0 0.2 . 1 . . . A 68 ALA C . 17736 1 871 . 1 1 68 68 ALA CA C 13 49.0 0.2 . 1 . . . A 68 ALA CA . 17736 1 872 . 1 1 68 68 ALA CB C 13 19.6 0.2 . 1 . . . A 68 ALA CB . 17736 1 873 . 1 1 68 68 ALA N N 15 120.6 0.2 . 1 . . . A 68 ALA N . 17736 1 874 . 1 1 69 69 MET H H 1 8.38 0.02 . 1 . . . A 69 MET H . 17736 1 875 . 1 1 69 69 MET HA H 1 4.99 0.02 . 1 . . . A 69 MET HA . 17736 1 876 . 1 1 69 69 MET HB2 H 1 1.79 0.02 . 2 . . . A 69 MET HB2 . 17736 1 877 . 1 1 69 69 MET HB3 H 1 1.79 0.02 . 2 . . . A 69 MET HB3 . 17736 1 878 . 1 1 69 69 MET HG2 H 1 2.49 0.02 . 2 . . . A 69 MET HG2 . 17736 1 879 . 1 1 69 69 MET HG3 H 1 2.58 0.02 . 2 . . . A 69 MET HG3 . 17736 1 880 . 1 1 69 69 MET C C 13 175.1 0.2 . 1 . . . A 69 MET C . 17736 1 881 . 1 1 69 69 MET CA C 13 54.4 0.2 . 1 . . . A 69 MET CA . 17736 1 882 . 1 1 69 69 MET CB C 13 34.0 0.2 . 1 . . . A 69 MET CB . 17736 1 883 . 1 1 69 69 MET CG C 13 33.2 0.2 . 1 . . . A 69 MET CG . 17736 1 884 . 1 1 69 69 MET N N 15 119.3 0.2 . 1 . . . A 69 MET N . 17736 1 885 . 1 1 70 70 VAL H H 1 9.34 0.02 . 1 . . . A 70 VAL H . 17736 1 886 . 1 1 70 70 VAL HA H 1 4.92 0.02 . 1 . . . A 70 VAL HA . 17736 1 887 . 1 1 70 70 VAL HB H 1 2.02 0.02 . 1 . . . A 70 VAL HB . 17736 1 888 . 1 1 70 70 VAL HG11 H 1 0.91 0.02 . 1 . . . A 70 VAL HG11 . 17736 1 889 . 1 1 70 70 VAL HG12 H 1 0.91 0.02 . 1 . . . A 70 VAL HG12 . 17736 1 890 . 1 1 70 70 VAL HG13 H 1 0.91 0.02 . 1 . . . A 70 VAL HG13 . 17736 1 891 . 1 1 70 70 VAL HG21 H 1 0.81 0.02 . 1 . . . A 70 VAL HG21 . 17736 1 892 . 1 1 70 70 VAL HG22 H 1 0.81 0.02 . 1 . . . A 70 VAL HG22 . 17736 1 893 . 1 1 70 70 VAL HG23 H 1 0.81 0.02 . 1 . . . A 70 VAL HG23 . 17736 1 894 . 1 1 70 70 VAL C C 13 177.3 0.2 . 1 . . . A 70 VAL C . 17736 1 895 . 1 1 70 70 VAL CA C 13 61.2 0.2 . 1 . . . A 70 VAL CA . 17736 1 896 . 1 1 70 70 VAL CB C 13 33.3 0.2 . 1 . . . A 70 VAL CB . 17736 1 897 . 1 1 70 70 VAL CG1 C 13 21.1 0.2 . 1 . . . A 70 VAL CG1 . 17736 1 898 . 1 1 70 70 VAL CG2 C 13 21.2 0.2 . 1 . . . A 70 VAL CG2 . 17736 1 899 . 1 1 70 70 VAL N N 15 124.4 0.2 . 1 . . . A 70 VAL N . 17736 1 900 . 1 1 71 71 GLY H H 1 8.96 0.02 . 1 . . . A 71 GLY H . 17736 1 901 . 1 1 71 71 GLY HA2 H 1 3.07 0.02 . 2 . . . A 71 GLY HA2 . 17736 1 902 . 1 1 71 71 GLY HA3 H 1 3.07 0.02 . 2 . . . A 71 GLY HA3 . 17736 1 903 . 1 1 71 71 GLY CA C 13 43.8 0.2 . 1 . . . A 71 GLY CA . 17736 1 904 . 1 1 71 71 GLY N N 15 117.8 0.2 . 1 . . . A 71 GLY N . 17736 1 905 . 1 1 72 72 PRO HA H 1 4.21 0.02 . 1 . . . A 72 PRO HA . 17736 1 906 . 1 1 72 72 PRO HB2 H 1 2.04 0.02 . 2 . . . A 72 PRO HB2 . 17736 1 907 . 1 1 72 72 PRO HB3 H 1 1.88 0.02 . 2 . . . A 72 PRO HB3 . 17736 1 908 . 1 1 72 72 PRO HG2 H 1 1.73 0.02 . 2 . . . A 72 PRO HG2 . 17736 1 909 . 1 1 72 72 PRO HG3 H 1 1.83 0.02 . 2 . . . A 72 PRO HG3 . 17736 1 910 . 1 1 72 72 PRO HD2 H 1 2.83 0.02 . 2 . . . A 72 PRO HD2 . 17736 1 911 . 1 1 72 72 PRO HD3 H 1 2.23 0.02 . 2 . . . A 72 PRO HD3 . 17736 1 912 . 1 1 72 72 PRO C C 13 176.9 0.2 . 1 . . . A 72 PRO C . 17736 1 913 . 1 1 72 72 PRO CA C 13 64.0 0.2 . 1 . . . A 72 PRO CA . 17736 1 914 . 1 1 72 72 PRO CB C 13 31.9 0.2 . 1 . . . A 72 PRO CB . 17736 1 915 . 1 1 72 72 PRO CG C 13 27.0 0.2 . 1 . . . A 72 PRO CG . 17736 1 916 . 1 1 72 72 PRO CD C 13 48.5 0.2 . 1 . . . A 72 PRO CD . 17736 1 917 . 1 1 73 73 ASN H H 1 8.83 0.02 . 1 . . . A 73 ASN H . 17736 1 918 . 1 1 73 73 ASN HA H 1 4.86 0.02 . 1 . . . A 73 ASN HA . 17736 1 919 . 1 1 73 73 ASN HB2 H 1 2.69 0.02 . 2 . . . A 73 ASN HB2 . 17736 1 920 . 1 1 73 73 ASN HB3 H 1 2.86 0.02 . 2 . . . A 73 ASN HB3 . 17736 1 921 . 1 1 73 73 ASN HD21 H 1 6.98 0.02 . 1 . . . A 73 ASN HD21 . 17736 1 922 . 1 1 73 73 ASN HD22 H 1 8.10 0.02 . 1 . . . A 73 ASN HD22 . 17736 1 923 . 1 1 73 73 ASN C C 13 175.7 0.2 . 1 . . . A 73 ASN C . 17736 1 924 . 1 1 73 73 ASN CA C 13 52.3 0.2 . 1 . . . A 73 ASN CA . 17736 1 925 . 1 1 73 73 ASN CB C 13 38.7 0.2 . 1 . . . A 73 ASN CB . 17736 1 926 . 1 1 73 73 ASN CG C 13 178.2 0.2 . 1 . . . A 73 ASN CG . 17736 1 927 . 1 1 73 73 ASN N N 15 117.2 0.2 . 1 . . . A 73 ASN N . 17736 1 928 . 1 1 73 73 ASN ND2 N 15 115.3 0.2 . 1 . . . A 73 ASN ND2 . 17736 1 929 . 1 1 74 74 GLY H H 1 7.81 0.02 . 1 . . . A 74 GLY H . 17736 1 930 . 1 1 74 74 GLY HA2 H 1 3.47 0.02 . 2 . . . A 74 GLY HA2 . 17736 1 931 . 1 1 74 74 GLY HA3 H 1 4.13 0.02 . 2 . . . A 74 GLY HA3 . 17736 1 932 . 1 1 74 74 GLY C C 13 174.4 0.2 . 1 . . . A 74 GLY C . 17736 1 933 . 1 1 74 74 GLY CA C 13 45.3 0.2 . 1 . . . A 74 GLY CA . 17736 1 934 . 1 1 74 74 GLY N N 15 107.6 0.2 . 1 . . . A 74 GLY N . 17736 1 935 . 1 1 75 75 GLU H H 1 9.28 0.02 . 1 . . . A 75 GLU H . 17736 1 936 . 1 1 75 75 GLU HA H 1 4.08 0.02 . 1 . . . A 75 GLU HA . 17736 1 937 . 1 1 75 75 GLU HB2 H 1 1.81 0.02 . 2 . . . A 75 GLU HB2 . 17736 1 938 . 1 1 75 75 GLU HB3 H 1 1.90 0.02 . 2 . . . A 75 GLU HB3 . 17736 1 939 . 1 1 75 75 GLU HG2 H 1 2.32 0.02 . 2 . . . A 75 GLU HG2 . 17736 1 940 . 1 1 75 75 GLU HG3 H 1 2.49 0.02 . 2 . . . A 75 GLU HG3 . 17736 1 941 . 1 1 75 75 GLU C C 13 175.8 0.2 . 1 . . . A 75 GLU C . 17736 1 942 . 1 1 75 75 GLU CA C 13 57.7 0.2 . 1 . . . A 75 GLU CA . 17736 1 943 . 1 1 75 75 GLU CB C 13 30.0 0.2 . 1 . . . A 75 GLU CB . 17736 1 944 . 1 1 75 75 GLU CG C 13 36.3 0.2 . 1 . . . A 75 GLU CG . 17736 1 945 . 1 1 75 75 GLU N N 15 123.2 0.2 . 1 . . . A 75 GLU N . 17736 1 946 . 1 1 76 76 GLU H H 1 8.41 0.02 . 1 . . . A 76 GLU H . 17736 1 947 . 1 1 76 76 GLU HA H 1 5.03 0.02 . 1 . . . A 76 GLU HA . 17736 1 948 . 1 1 76 76 GLU HB2 H 1 1.69 0.02 . 2 . . . A 76 GLU HB2 . 17736 1 949 . 1 1 76 76 GLU HB3 H 1 1.93 0.02 . 2 . . . A 76 GLU HB3 . 17736 1 950 . 1 1 76 76 GLU HG2 H 1 1.83 0.02 . 2 . . . A 76 GLU HG2 . 17736 1 951 . 1 1 76 76 GLU HG3 H 1 2.11 0.02 . 2 . . . A 76 GLU HG3 . 17736 1 952 . 1 1 76 76 GLU C C 13 175.0 0.2 . 1 . . . A 76 GLU C . 17736 1 953 . 1 1 76 76 GLU CA C 13 55.7 0.2 . 1 . . . A 76 GLU CA . 17736 1 954 . 1 1 76 76 GLU CB C 13 33.1 0.2 . 1 . . . A 76 GLU CB . 17736 1 955 . 1 1 76 76 GLU CG C 13 36.9 0.2 . 1 . . . A 76 GLU CG . 17736 1 956 . 1 1 76 76 GLU N N 15 121.3 0.2 . 1 . . . A 76 GLU N . 17736 1 957 . 1 1 77 77 HIS H H 1 8.64 0.02 . 1 . . . A 77 HIS H . 17736 1 958 . 1 1 77 77 HIS HA H 1 5.03 0.02 . 1 . . . A 77 HIS HA . 17736 1 959 . 1 1 77 77 HIS HB2 H 1 3.14 0.02 . 2 . . . A 77 HIS HB2 . 17736 1 960 . 1 1 77 77 HIS HB3 H 1 3.21 0.02 . 2 . . . A 77 HIS HB3 . 17736 1 961 . 1 1 77 77 HIS C C 13 174.5 0.2 . 1 . . . A 77 HIS C . 17736 1 962 . 1 1 77 77 HIS CA C 13 54.3 0.2 . 1 . . . A 77 HIS CA . 17736 1 963 . 1 1 77 77 HIS CB C 13 31.9 0.2 . 1 . . . A 77 HIS CB . 17736 1 964 . 1 1 77 77 HIS N N 15 122.6 0.2 . 1 . . . A 77 HIS N . 17736 1 965 . 1 1 78 78 TRP H H 1 9.00 0.02 . 1 . . . A 78 TRP H . 17736 1 966 . 1 1 78 78 TRP HA H 1 4.77 0.02 . 1 . . . A 78 TRP HA . 17736 1 967 . 1 1 78 78 TRP HB2 H 1 2.86 0.02 . 2 . . . A 78 TRP HB2 . 17736 1 968 . 1 1 78 78 TRP HB3 H 1 2.86 0.02 . 2 . . . A 78 TRP HB3 . 17736 1 969 . 1 1 78 78 TRP HD1 H 1 7.22 0.02 . 1 . . . A 78 TRP HD1 . 17736 1 970 . 1 1 78 78 TRP HE1 H 1 10.27 0.02 . 1 . . . A 78 TRP HE1 . 17736 1 971 . 1 1 78 78 TRP HZ2 H 1 7.41 0.02 . 1 . . . A 78 TRP HZ2 . 17736 1 972 . 1 1 78 78 TRP HZ3 H 1 6.79 0.02 . 1 . . . A 78 TRP HZ3 . 17736 1 973 . 1 1 78 78 TRP HH2 H 1 7.14 0.02 . 1 . . . A 78 TRP HH2 . 17736 1 974 . 1 1 78 78 TRP C C 13 175.1 0.2 . 1 . . . A 78 TRP C . 17736 1 975 . 1 1 78 78 TRP CA C 13 52.7 0.2 . 1 . . . A 78 TRP CA . 17736 1 976 . 1 1 78 78 TRP CB C 13 30.6 0.2 . 1 . . . A 78 TRP CB . 17736 1 977 . 1 1 78 78 TRP CD1 C 13 125.7 0.2 . 1 . . . A 78 TRP CD1 . 17736 1 978 . 1 1 78 78 TRP CZ2 C 13 114.5 0.2 . 1 . . . A 78 TRP CZ2 . 17736 1 979 . 1 1 78 78 TRP CH2 C 13 123.8 0.2 . 1 . . . A 78 TRP CH2 . 17736 1 980 . 1 1 78 78 TRP N N 15 127.2 0.2 . 1 . . . A 78 TRP N . 17736 1 981 . 1 1 78 78 TRP NE1 N 15 129.8 0.2 . 1 . . . A 78 TRP NE1 . 17736 1 982 . 1 1 79 79 SER H H 1 8.85 0.02 . 1 . . . A 79 SER H . 17736 1 983 . 1 1 79 79 SER HA H 1 4.91 0.02 . 1 . . . A 79 SER HA . 17736 1 984 . 1 1 79 79 SER HB2 H 1 2.24 0.02 . 2 . . . A 79 SER HB2 . 17736 1 985 . 1 1 79 79 SER HB3 H 1 3.17 0.02 . 2 . . . A 79 SER HB3 . 17736 1 986 . 1 1 79 79 SER C C 13 169.9 0.2 . 1 . . . A 79 SER C . 17736 1 987 . 1 1 79 79 SER CA C 13 58.0 0.2 . 1 . . . A 79 SER CA . 17736 1 988 . 1 1 79 79 SER CB C 13 67.6 0.2 . 1 . . . A 79 SER CB . 17736 1 989 . 1 1 79 79 SER N N 15 119.9 0.2 . 1 . . . A 79 SER N . 17736 1 990 . 1 1 80 80 ILE H H 1 8.01 0.02 . 1 . . . A 80 ILE H . 17736 1 991 . 1 1 80 80 ILE HA H 1 5.54 0.02 . 1 . . . A 80 ILE HA . 17736 1 992 . 1 1 80 80 ILE HB H 1 1.47 0.02 . 1 . . . A 80 ILE HB . 17736 1 993 . 1 1 80 80 ILE HG12 H 1 0.79 0.02 . 2 . . . A 80 ILE HG12 . 17736 1 994 . 1 1 80 80 ILE HG13 H 1 1.44 0.02 . 2 . . . A 80 ILE HG13 . 17736 1 995 . 1 1 80 80 ILE HG21 H 1 0.62 0.02 . 1 . . . A 80 ILE HG21 . 17736 1 996 . 1 1 80 80 ILE HG22 H 1 0.62 0.02 . 1 . . . A 80 ILE HG22 . 17736 1 997 . 1 1 80 80 ILE HG23 H 1 0.62 0.02 . 1 . . . A 80 ILE HG23 . 17736 1 998 . 1 1 80 80 ILE HD11 H 1 0.82 0.02 . 1 . . . A 80 ILE HD11 . 17736 1 999 . 1 1 80 80 ILE HD12 H 1 0.82 0.02 . 1 . . . A 80 ILE HD12 . 17736 1 1000 . 1 1 80 80 ILE HD13 H 1 0.82 0.02 . 1 . . . A 80 ILE HD13 . 17736 1 1001 . 1 1 80 80 ILE C C 13 174.3 0.2 . 1 . . . A 80 ILE C . 17736 1 1002 . 1 1 80 80 ILE CA C 13 57.8 0.2 . 1 . . . A 80 ILE CA . 17736 1 1003 . 1 1 80 80 ILE CB C 13 43.6 0.2 . 1 . . . A 80 ILE CB . 17736 1 1004 . 1 1 80 80 ILE CG1 C 13 28.3 0.2 . 1 . . . A 80 ILE CG1 . 17736 1 1005 . 1 1 80 80 ILE CG2 C 13 16.4 0.2 . 1 . . . A 80 ILE CG2 . 17736 1 1006 . 1 1 80 80 ILE CD1 C 13 14.6 0.2 . 1 . . . A 80 ILE CD1 . 17736 1 1007 . 1 1 80 80 ILE N N 15 116.6 0.2 . 1 . . . A 80 ILE N . 17736 1 1008 . 1 1 81 81 CYS H H 1 8.82 0.02 . 1 . . . A 81 CYS H . 17736 1 1009 . 1 1 81 81 CYS HA H 1 4.93 0.02 . 1 . . . A 81 CYS HA . 17736 1 1010 . 1 1 81 81 CYS HB2 H 1 2.86 0.02 . 2 . . . A 81 CYS HB2 . 17736 1 1011 . 1 1 81 81 CYS HB3 H 1 2.91 0.02 . 2 . . . A 81 CYS HB3 . 17736 1 1012 . 1 1 81 81 CYS C C 13 173.3 0.2 . 1 . . . A 81 CYS C . 17736 1 1013 . 1 1 81 81 CYS CA C 13 57.8 0.2 . 1 . . . A 81 CYS CA . 17736 1 1014 . 1 1 81 81 CYS CB C 13 29.5 0.2 . 1 . . . A 81 CYS CB . 17736 1 1015 . 1 1 81 81 CYS N N 15 123.5 0.2 . 1 . . . A 81 CYS N . 17736 1 1016 . 1 1 82 82 GLU H H 1 8.88 0.02 . 1 . . . A 82 GLU H . 17736 1 1017 . 1 1 82 82 GLU HA H 1 4.98 0.02 . 1 . . . A 82 GLU HA . 17736 1 1018 . 1 1 82 82 GLU HB2 H 1 1.92 0.02 . 2 . . . A 82 GLU HB2 . 17736 1 1019 . 1 1 82 82 GLU HB3 H 1 2.08 0.02 . 2 . . . A 82 GLU HB3 . 17736 1 1020 . 1 1 82 82 GLU HG2 H 1 2.08 0.02 . 2 . . . A 82 GLU HG2 . 17736 1 1021 . 1 1 82 82 GLU HG3 H 1 2.08 0.02 . 2 . . . A 82 GLU HG3 . 17736 1 1022 . 1 1 82 82 GLU C C 13 176.5 0.2 . 1 . . . A 82 GLU C . 17736 1 1023 . 1 1 82 82 GLU CA C 13 54.3 0.2 . 1 . . . A 82 GLU CA . 17736 1 1024 . 1 1 82 82 GLU CB C 13 32.1 0.2 . 1 . . . A 82 GLU CB . 17736 1 1025 . 1 1 82 82 GLU CG C 13 36.9 0.2 . 1 . . . A 82 GLU CG . 17736 1 1026 . 1 1 82 82 GLU N N 15 127.3 0.2 . 1 . . . A 82 GLU N . 17736 1 1027 . 1 1 83 83 TYR H H 1 8.49 0.02 . 1 . . . A 83 TYR H . 17736 1 1028 . 1 1 83 83 TYR HA H 1 4.88 0.02 . 1 . . . A 83 TYR HA . 17736 1 1029 . 1 1 83 83 TYR HB2 H 1 2.69 0.02 . 2 . . . A 83 TYR HB2 . 17736 1 1030 . 1 1 83 83 TYR HB3 H 1 3.11 0.02 . 2 . . . A 83 TYR HB3 . 17736 1 1031 . 1 1 83 83 TYR HD1 H 1 7.04 0.02 . 3 . . . A 83 TYR HD1 . 17736 1 1032 . 1 1 83 83 TYR HD2 H 1 7.04 0.02 . 3 . . . A 83 TYR HD2 . 17736 1 1033 . 1 1 83 83 TYR HE1 H 1 6.69 0.02 . 3 . . . A 83 TYR HE1 . 17736 1 1034 . 1 1 83 83 TYR HE2 H 1 6.69 0.02 . 3 . . . A 83 TYR HE2 . 17736 1 1035 . 1 1 83 83 TYR C C 13 176.5 0.2 . 1 . . . A 83 TYR C . 17736 1 1036 . 1 1 83 83 TYR CA C 13 60.3 0.2 . 1 . . . A 83 TYR CA . 17736 1 1037 . 1 1 83 83 TYR CB C 13 39.7 0.2 . 1 . . . A 83 TYR CB . 17736 1 1038 . 1 1 83 83 TYR CD1 C 13 132.8 0.2 . 3 . . . A 83 TYR CD1 . 17736 1 1039 . 1 1 83 83 TYR CD2 C 13 132.8 0.2 . 3 . . . A 83 TYR CD2 . 17736 1 1040 . 1 1 83 83 TYR CE1 C 13 118.6 0.2 . 3 . . . A 83 TYR CE1 . 17736 1 1041 . 1 1 83 83 TYR CE2 C 13 118.6 0.2 . 3 . . . A 83 TYR CE2 . 17736 1 1042 . 1 1 83 83 TYR N N 15 126.3 0.2 . 1 . . . A 83 TYR N . 17736 1 1043 . 1 1 84 84 ALA H H 1 9.39 0.02 . 1 . . . A 84 ALA H . 17736 1 1044 . 1 1 84 84 ALA HA H 1 4.81 0.02 . 1 . . . A 84 ALA HA . 17736 1 1045 . 1 1 84 84 ALA HB1 H 1 1.46 0.02 . 1 . . . A 84 ALA HB1 . 17736 1 1046 . 1 1 84 84 ALA HB2 H 1 1.46 0.02 . 1 . . . A 84 ALA HB2 . 17736 1 1047 . 1 1 84 84 ALA HB3 H 1 1.46 0.02 . 1 . . . A 84 ALA HB3 . 17736 1 1048 . 1 1 84 84 ALA C C 13 175.6 0.2 . 1 . . . A 84 ALA C . 17736 1 1049 . 1 1 84 84 ALA CA C 13 53.5 0.2 . 1 . . . A 84 ALA CA . 17736 1 1050 . 1 1 84 84 ALA CB C 13 20.0 0.2 . 1 . . . A 84 ALA CB . 17736 1 1051 . 1 1 84 84 ALA N N 15 130.0 0.2 . 1 . . . A 84 ALA N . 17736 1 1052 . 1 1 85 85 ILE H H 1 7.66 0.02 . 1 . . . A 85 ILE H . 17736 1 1053 . 1 1 85 85 ILE HA H 1 4.52 0.02 . 1 . . . A 85 ILE HA . 17736 1 1054 . 1 1 85 85 ILE HB H 1 2.08 0.02 . 1 . . . A 85 ILE HB . 17736 1 1055 . 1 1 85 85 ILE HG12 H 1 1.10 0.02 . 2 . . . A 85 ILE HG12 . 17736 1 1056 . 1 1 85 85 ILE HG13 H 1 1.48 0.02 . 2 . . . A 85 ILE HG13 . 17736 1 1057 . 1 1 85 85 ILE HG21 H 1 0.85 0.02 . 1 . . . A 85 ILE HG21 . 17736 1 1058 . 1 1 85 85 ILE HG22 H 1 0.85 0.02 . 1 . . . A 85 ILE HG22 . 17736 1 1059 . 1 1 85 85 ILE HG23 H 1 0.85 0.02 . 1 . . . A 85 ILE HG23 . 17736 1 1060 . 1 1 85 85 ILE HD11 H 1 0.85 0.02 . 1 . . . A 85 ILE HD11 . 17736 1 1061 . 1 1 85 85 ILE HD12 H 1 0.85 0.02 . 1 . . . A 85 ILE HD12 . 17736 1 1062 . 1 1 85 85 ILE HD13 H 1 0.85 0.02 . 1 . . . A 85 ILE HD13 . 17736 1 1063 . 1 1 85 85 ILE C C 13 175.6 0.2 . 1 . . . A 85 ILE C . 17736 1 1064 . 1 1 85 85 ILE CA C 13 60.0 0.2 . 1 . . . A 85 ILE CA . 17736 1 1065 . 1 1 85 85 ILE CB C 13 40.2 0.2 . 1 . . . A 85 ILE CB . 17736 1 1066 . 1 1 85 85 ILE CG1 C 13 27.5 0.2 . 1 . . . A 85 ILE CG1 . 17736 1 1067 . 1 1 85 85 ILE CG2 C 13 17.0 0.2 . 1 . . . A 85 ILE CG2 . 17736 1 1068 . 1 1 85 85 ILE CD1 C 13 13.1 0.2 . 1 . . . A 85 ILE CD1 . 17736 1 1069 . 1 1 85 85 ILE N N 15 118.7 0.2 . 1 . . . A 85 ILE N . 17736 1 1070 . 1 1 86 86 ILE H H 1 9.73 0.02 . 1 . . . A 86 ILE H . 17736 1 1071 . 1 1 86 86 ILE HA H 1 4.56 0.02 . 1 . . . A 86 ILE HA . 17736 1 1072 . 1 1 86 86 ILE HB H 1 1.57 0.02 . 1 . . . A 86 ILE HB . 17736 1 1073 . 1 1 86 86 ILE HG12 H 1 0.68 0.02 . 2 . . . A 86 ILE HG12 . 17736 1 1074 . 1 1 86 86 ILE HG13 H 1 1.26 0.02 . 2 . . . A 86 ILE HG13 . 17736 1 1075 . 1 1 86 86 ILE HG21 H 1 0.93 0.02 . 1 . . . A 86 ILE HG21 . 17736 1 1076 . 1 1 86 86 ILE HG22 H 1 0.93 0.02 . 1 . . . A 86 ILE HG22 . 17736 1 1077 . 1 1 86 86 ILE HG23 H 1 0.93 0.02 . 1 . . . A 86 ILE HG23 . 17736 1 1078 . 1 1 86 86 ILE HD11 H 1 -0.63 0.02 . 1 . . . A 86 ILE HD11 . 17736 1 1079 . 1 1 86 86 ILE HD12 H 1 -0.63 0.02 . 1 . . . A 86 ILE HD12 . 17736 1 1080 . 1 1 86 86 ILE HD13 H 1 -0.63 0.02 . 1 . . . A 86 ILE HD13 . 17736 1 1081 . 1 1 86 86 ILE C C 13 174.8 0.2 . 1 . . . A 86 ILE C . 17736 1 1082 . 1 1 86 86 ILE CA C 13 62.5 0.2 . 1 . . . A 86 ILE CA . 17736 1 1083 . 1 1 86 86 ILE CB C 13 42.1 0.2 . 1 . . . A 86 ILE CB . 17736 1 1084 . 1 1 86 86 ILE CG1 C 13 27.3 0.2 . 1 . . . A 86 ILE CG1 . 17736 1 1085 . 1 1 86 86 ILE CG2 C 13 18.5 0.2 . 1 . . . A 86 ILE CG2 . 17736 1 1086 . 1 1 86 86 ILE CD1 C 13 12.2 0.2 . 1 . . . A 86 ILE CD1 . 17736 1 1087 . 1 1 86 86 ILE N N 15 125.6 0.2 . 1 . . . A 86 ILE N . 17736 1 1088 . 1 1 87 87 LYS H H 1 9.56 0.02 . 1 . . . A 87 LYS H . 17736 1 1089 . 1 1 87 87 LYS HA H 1 5.00 0.02 . 1 . . . A 87 LYS HA . 17736 1 1090 . 1 1 87 87 LYS HB2 H 1 1.74 0.02 . 2 . . . A 87 LYS HB2 . 17736 1 1091 . 1 1 87 87 LYS HB3 H 1 2.08 0.02 . 2 . . . A 87 LYS HB3 . 17736 1 1092 . 1 1 87 87 LYS HG2 H 1 1.31 0.02 . 2 . . . A 87 LYS HG2 . 17736 1 1093 . 1 1 87 87 LYS HG3 H 1 1.40 0.02 . 2 . . . A 87 LYS HG3 . 17736 1 1094 . 1 1 87 87 LYS HD2 H 1 1.68 0.02 . 2 . . . A 87 LYS HD2 . 17736 1 1095 . 1 1 87 87 LYS HD3 H 1 1.68 0.02 . 2 . . . A 87 LYS HD3 . 17736 1 1096 . 1 1 87 87 LYS HE2 H 1 2.90 0.02 . 2 . . . A 87 LYS HE2 . 17736 1 1097 . 1 1 87 87 LYS HE3 H 1 2.90 0.02 . 2 . . . A 87 LYS HE3 . 17736 1 1098 . 1 1 87 87 LYS CA C 13 52.3 0.2 . 1 . . . A 87 LYS CA . 17736 1 1099 . 1 1 87 87 LYS CB C 13 33.6 0.2 . 1 . . . A 87 LYS CB . 17736 1 1100 . 1 1 87 87 LYS CG C 13 24.8 0.2 . 1 . . . A 87 LYS CG . 17736 1 1101 . 1 1 87 87 LYS CD C 13 29.3 0.2 . 1 . . . A 87 LYS CD . 17736 1 1102 . 1 1 87 87 LYS CE C 13 42.1 0.2 . 1 . . . A 87 LYS CE . 17736 1 1103 . 1 1 87 87 LYS N N 15 130.4 0.2 . 1 . . . A 87 LYS N . 17736 1 1104 . 1 1 88 88 PRO HA H 1 3.69 0.02 . 1 . . . A 88 PRO HA . 17736 1 1105 . 1 1 88 88 PRO HB2 H 1 1.92 0.02 . 2 . . . A 88 PRO HB2 . 17736 1 1106 . 1 1 88 88 PRO HB3 H 1 1.67 0.02 . 2 . . . A 88 PRO HB3 . 17736 1 1107 . 1 1 88 88 PRO HG2 H 1 2.00 0.02 . 2 . . . A 88 PRO HG2 . 17736 1 1108 . 1 1 88 88 PRO HG3 H 1 2.22 0.02 . 2 . . . A 88 PRO HG3 . 17736 1 1109 . 1 1 88 88 PRO HD2 H 1 3.84 0.02 . 2 . . . A 88 PRO HD2 . 17736 1 1110 . 1 1 88 88 PRO HD3 H 1 3.72 0.02 . 2 . . . A 88 PRO HD3 . 17736 1 1111 . 1 1 88 88 PRO C C 13 172.6 0.2 . 1 . . . A 88 PRO C . 17736 1 1112 . 1 1 88 88 PRO CA C 13 57.5 0.2 . 1 . . . A 88 PRO CA . 17736 1 1113 . 1 1 88 88 PRO CB C 13 31.8 0.2 . 1 . . . A 88 PRO CB . 17736 1 1114 . 1 1 88 88 PRO CG C 13 28.3 0.2 . 1 . . . A 88 PRO CG . 17736 1 1115 . 1 1 88 88 PRO CD C 13 51.1 0.2 . 1 . . . A 88 PRO CD . 17736 1 1116 . 1 1 89 89 ILE H H 1 7.54 0.02 . 1 . . . A 89 ILE H . 17736 1 1117 . 1 1 89 89 ILE HA H 1 1.59 0.02 . 1 . . . A 89 ILE HA . 17736 1 1118 . 1 1 89 89 ILE HB H 1 1.00 0.02 . 1 . . . A 89 ILE HB . 17736 1 1119 . 1 1 89 89 ILE HG12 H 1 1.06 0.02 . 2 . . . A 89 ILE HG12 . 17736 1 1120 . 1 1 89 89 ILE HG13 H 1 1.06 0.02 . 2 . . . A 89 ILE HG13 . 17736 1 1121 . 1 1 89 89 ILE HG21 H 1 -0.32 0.02 . 1 . . . A 89 ILE HG21 . 17736 1 1122 . 1 1 89 89 ILE HG22 H 1 -0.32 0.02 . 1 . . . A 89 ILE HG22 . 17736 1 1123 . 1 1 89 89 ILE HG23 H 1 -0.32 0.02 . 1 . . . A 89 ILE HG23 . 17736 1 1124 . 1 1 89 89 ILE HD11 H 1 0.62 0.02 . 1 . . . A 89 ILE HD11 . 17736 1 1125 . 1 1 89 89 ILE HD12 H 1 0.62 0.02 . 1 . . . A 89 ILE HD12 . 17736 1 1126 . 1 1 89 89 ILE HD13 H 1 0.62 0.02 . 1 . . . A 89 ILE HD13 . 17736 1 1127 . 1 1 89 89 ILE C C 13 170.8 0.2 . 1 . . . A 89 ILE C . 17736 1 1128 . 1 1 89 89 ILE CA C 13 63.7 0.2 . 1 . . . A 89 ILE CA . 17736 1 1129 . 1 1 89 89 ILE CB C 13 36.7 0.2 . 1 . . . A 89 ILE CB . 17736 1 1130 . 1 1 89 89 ILE CG1 C 13 24.5 0.2 . 1 . . . A 89 ILE CG1 . 17736 1 1131 . 1 1 89 89 ILE CG2 C 13 17.1 0.2 . 1 . . . A 89 ILE CG2 . 17736 1 1132 . 1 1 89 89 ILE CD1 C 13 14.3 0.2 . 1 . . . A 89 ILE CD1 . 17736 1 1133 . 1 1 89 89 ILE N N 15 124.4 0.2 . 1 . . . A 89 ILE N . 17736 1 1134 . 1 1 90 90 GLU H H 1 8.03 0.02 . 1 . . . A 90 GLU H . 17736 1 1135 . 1 1 90 90 GLU HA H 1 5.09 0.02 . 1 . . . A 90 GLU HA . 17736 1 1136 . 1 1 90 90 GLU HB2 H 1 2.04 0.02 . 2 . . . A 90 GLU HB2 . 17736 1 1137 . 1 1 90 90 GLU HB3 H 1 2.23 0.02 . 2 . . . A 90 GLU HB3 . 17736 1 1138 . 1 1 90 90 GLU HG2 H 1 2.24 0.02 . 2 . . . A 90 GLU HG2 . 17736 1 1139 . 1 1 90 90 GLU HG3 H 1 2.24 0.02 . 2 . . . A 90 GLU HG3 . 17736 1 1140 . 1 1 90 90 GLU C C 13 177.7 0.2 . 1 . . . A 90 GLU C . 17736 1 1141 . 1 1 90 90 GLU CA C 13 56.1 0.2 . 1 . . . A 90 GLU CA . 17736 1 1142 . 1 1 90 90 GLU CB C 13 34.0 0.2 . 1 . . . A 90 GLU CB . 17736 1 1143 . 1 1 90 90 GLU CG C 13 35.9 0.2 . 1 . . . A 90 GLU CG . 17736 1 1144 . 1 1 90 90 GLU N N 15 113.7 0.2 . 1 . . . A 90 GLU N . 17736 1 1145 . 1 1 91 91 ARG H H 1 8.37 0.02 . 1 . . . A 91 ARG H . 17736 1 1146 . 1 1 91 91 ARG HA H 1 6.28 0.02 . 1 . . . A 91 ARG HA . 17736 1 1147 . 1 1 91 91 ARG HB2 H 1 1.67 0.02 . 2 . . . A 91 ARG HB2 . 17736 1 1148 . 1 1 91 91 ARG HB3 H 1 2.27 0.02 . 2 . . . A 91 ARG HB3 . 17736 1 1149 . 1 1 91 91 ARG HG2 H 1 1.31 0.02 . 2 . . . A 91 ARG HG2 . 17736 1 1150 . 1 1 91 91 ARG HG3 H 1 1.99 0.02 . 2 . . . A 91 ARG HG3 . 17736 1 1151 . 1 1 91 91 ARG HD2 H 1 2.99 0.02 . 2 . . . A 91 ARG HD2 . 17736 1 1152 . 1 1 91 91 ARG HD3 H 1 3.14 0.02 . 2 . . . A 91 ARG HD3 . 17736 1 1153 . 1 1 91 91 ARG HE H 1 8.01 0.02 . 1 . . . A 91 ARG HE . 17736 1 1154 . 1 1 91 91 ARG C C 13 175.5 0.2 . 1 . . . A 91 ARG C . 17736 1 1155 . 1 1 91 91 ARG CA C 13 56.0 0.2 . 1 . . . A 91 ARG CA . 17736 1 1156 . 1 1 91 91 ARG CB C 13 35.1 0.2 . 1 . . . A 91 ARG CB . 17736 1 1157 . 1 1 91 91 ARG CG C 13 27.5 0.2 . 1 . . . A 91 ARG CG . 17736 1 1158 . 1 1 91 91 ARG CD C 13 44.5 0.2 . 1 . . . A 91 ARG CD . 17736 1 1159 . 1 1 91 91 ARG N N 15 123.7 0.2 . 1 . . . A 91 ARG N . 17736 1 1160 . 1 1 91 91 ARG NE N 15 86.1 0.2 . 1 . . . A 91 ARG NE . 17736 1 1161 . 1 1 92 92 PHE H H 1 9.28 0.02 . 1 . . . A 92 PHE H . 17736 1 1162 . 1 1 92 92 PHE HA H 1 5.70 0.02 . 1 . . . A 92 PHE HA . 17736 1 1163 . 1 1 92 92 PHE HB2 H 1 3.59 0.02 . 2 . . . A 92 PHE HB2 . 17736 1 1164 . 1 1 92 92 PHE HB3 H 1 3.73 0.02 . 2 . . . A 92 PHE HB3 . 17736 1 1165 . 1 1 92 92 PHE HD1 H 1 7.15 0.02 . 3 . . . A 92 PHE HD1 . 17736 1 1166 . 1 1 92 92 PHE HD2 H 1 7.15 0.02 . 3 . . . A 92 PHE HD2 . 17736 1 1167 . 1 1 92 92 PHE HE1 H 1 6.65 0.02 . 3 . . . A 92 PHE HE1 . 17736 1 1168 . 1 1 92 92 PHE HE2 H 1 6.65 0.02 . 3 . . . A 92 PHE HE2 . 17736 1 1169 . 1 1 92 92 PHE C C 13 172.6 0.2 . 1 . . . A 92 PHE C . 17736 1 1170 . 1 1 92 92 PHE CA C 13 57.9 0.2 . 1 . . . A 92 PHE CA . 17736 1 1171 . 1 1 92 92 PHE CB C 13 43.1 0.2 . 1 . . . A 92 PHE CB . 17736 1 1172 . 1 1 92 92 PHE CD1 C 13 132.3 0.2 . 3 . . . A 92 PHE CD1 . 17736 1 1173 . 1 1 92 92 PHE CD2 C 13 132.3 0.2 . 3 . . . A 92 PHE CD2 . 17736 1 1174 . 1 1 92 92 PHE CE1 C 13 131.2 0.2 . 3 . . . A 92 PHE CE1 . 17736 1 1175 . 1 1 92 92 PHE CE2 C 13 131.2 0.2 . 3 . . . A 92 PHE CE2 . 17736 1 1176 . 1 1 92 92 PHE N N 15 121.2 0.2 . 1 . . . A 92 PHE N . 17736 1 1177 . 1 1 93 93 THR H H 1 9.93 0.02 . 1 . . . A 93 THR H . 17736 1 1178 . 1 1 93 93 THR HA H 1 5.66 0.02 . 1 . . . A 93 THR HA . 17736 1 1179 . 1 1 93 93 THR HB H 1 4.64 0.02 . 1 . . . A 93 THR HB . 17736 1 1180 . 1 1 93 93 THR HG21 H 1 1.27 0.02 . 1 . . . A 93 THR HG21 . 17736 1 1181 . 1 1 93 93 THR HG22 H 1 1.27 0.02 . 1 . . . A 93 THR HG22 . 17736 1 1182 . 1 1 93 93 THR HG23 H 1 1.27 0.02 . 1 . . . A 93 THR HG23 . 17736 1 1183 . 1 1 93 93 THR C C 13 174.7 0.2 . 1 . . . A 93 THR C . 17736 1 1184 . 1 1 93 93 THR CA C 13 58.9 0.2 . 1 . . . A 93 THR CA . 17736 1 1185 . 1 1 93 93 THR CB C 13 72.2 0.2 . 1 . . . A 93 THR CB . 17736 1 1186 . 1 1 93 93 THR N N 15 111.6 0.2 . 1 . . . A 93 THR N . 17736 1 1187 . 1 1 94 94 GLY H H 1 8.55 0.02 . 1 . . . A 94 GLY H . 17736 1 1188 . 1 1 94 94 GLY HA2 H 1 4.04 0.02 . 2 . . . A 94 GLY HA2 . 17736 1 1189 . 1 1 94 94 GLY HA3 H 1 4.47 0.02 . 2 . . . A 94 GLY HA3 . 17736 1 1190 . 1 1 94 94 GLY C C 13 170.7 0.2 . 1 . . . A 94 GLY C . 17736 1 1191 . 1 1 94 94 GLY CA C 13 46.8 0.2 . 1 . . . A 94 GLY CA . 17736 1 1192 . 1 1 94 94 GLY N N 15 107.0 0.2 . 1 . . . A 94 GLY N . 17736 1 1193 . 1 1 95 95 LYS H H 1 8.58 0.02 . 1 . . . A 95 LYS H . 17736 1 1194 . 1 1 95 95 LYS HA H 1 5.44 0.02 . 1 . . . A 95 LYS HA . 17736 1 1195 . 1 1 95 95 LYS HB2 H 1 1.79 0.02 . 2 . . . A 95 LYS HB2 . 17736 1 1196 . 1 1 95 95 LYS HB3 H 1 1.89 0.02 . 2 . . . A 95 LYS HB3 . 17736 1 1197 . 1 1 95 95 LYS HG2 H 1 1.48 0.02 . 2 . . . A 95 LYS HG2 . 17736 1 1198 . 1 1 95 95 LYS HG3 H 1 1.53 0.02 . 2 . . . A 95 LYS HG3 . 17736 1 1199 . 1 1 95 95 LYS HD2 H 1 1.65 0.02 . 2 . . . A 95 LYS HD2 . 17736 1 1200 . 1 1 95 95 LYS HD3 H 1 1.65 0.02 . 2 . . . A 95 LYS HD3 . 17736 1 1201 . 1 1 95 95 LYS HE2 H 1 2.91 0.02 . 2 . . . A 95 LYS HE2 . 17736 1 1202 . 1 1 95 95 LYS HE3 H 1 2.91 0.02 . 2 . . . A 95 LYS HE3 . 17736 1 1203 . 1 1 95 95 LYS C C 13 176.1 0.2 . 1 . . . A 95 LYS C . 17736 1 1204 . 1 1 95 95 LYS CA C 13 55.1 0.2 . 1 . . . A 95 LYS CA . 17736 1 1205 . 1 1 95 95 LYS CB C 13 36.2 0.2 . 1 . . . A 95 LYS CB . 17736 1 1206 . 1 1 95 95 LYS CG C 13 24.8 0.2 . 1 . . . A 95 LYS CG . 17736 1 1207 . 1 1 95 95 LYS CD C 13 30.0 0.2 . 1 . . . A 95 LYS CD . 17736 1 1208 . 1 1 95 95 LYS CE C 13 42.9 0.2 . 1 . . . A 95 LYS CE . 17736 1 1209 . 1 1 95 95 LYS N N 15 121.2 0.2 . 1 . . . A 95 LYS N . 17736 1 1210 . 1 1 96 96 ASP H H 1 9.10 0.02 . 1 . . . A 96 ASP H . 17736 1 1211 . 1 1 96 96 ASP HA H 1 5.62 0.02 . 1 . . . A 96 ASP HA . 17736 1 1212 . 1 1 96 96 ASP HB2 H 1 2.61 0.02 . 2 . . . A 96 ASP HB2 . 17736 1 1213 . 1 1 96 96 ASP HB3 H 1 2.92 0.02 . 2 . . . A 96 ASP HB3 . 17736 1 1214 . 1 1 96 96 ASP C C 13 176.2 0.2 . 1 . . . A 96 ASP C . 17736 1 1215 . 1 1 96 96 ASP CA C 13 52.6 0.2 . 1 . . . A 96 ASP CA . 17736 1 1216 . 1 1 96 96 ASP CB C 13 43.6 0.2 . 1 . . . A 96 ASP CB . 17736 1 1217 . 1 1 96 96 ASP N N 15 126.2 0.2 . 1 . . . A 96 ASP N . 17736 1 1218 . 1 1 97 97 GLY H H 1 7.91 0.02 . 1 . . . A 97 GLY H . 17736 1 1219 . 1 1 97 97 GLY HA2 H 1 3.82 0.02 . 2 . . . A 97 GLY HA2 . 17736 1 1220 . 1 1 97 97 GLY HA3 H 1 4.32 0.02 . 2 . . . A 97 GLY HA3 . 17736 1 1221 . 1 1 97 97 GLY C C 13 171.0 0.2 . 1 . . . A 97 GLY C . 17736 1 1222 . 1 1 97 97 GLY CA C 13 45.6 0.2 . 1 . . . A 97 GLY CA . 17736 1 1223 . 1 1 97 97 GLY N N 15 105.8 0.2 . 1 . . . A 97 GLY N . 17736 1 1224 . 1 1 98 98 PHE H H 1 9.47 0.02 . 1 . . . A 98 PHE H . 17736 1 1225 . 1 1 98 98 PHE HA H 1 5.17 0.02 . 1 . . . A 98 PHE HA . 17736 1 1226 . 1 1 98 98 PHE HB2 H 1 2.93 0.02 . 2 . . . A 98 PHE HB2 . 17736 1 1227 . 1 1 98 98 PHE HB3 H 1 3.45 0.02 . 2 . . . A 98 PHE HB3 . 17736 1 1228 . 1 1 98 98 PHE HD1 H 1 7.49 0.02 . 3 . . . A 98 PHE HD1 . 17736 1 1229 . 1 1 98 98 PHE HD2 H 1 7.49 0.02 . 3 . . . A 98 PHE HD2 . 17736 1 1230 . 1 1 98 98 PHE HE1 H 1 7.29 0.02 . 3 . . . A 98 PHE HE1 . 17736 1 1231 . 1 1 98 98 PHE HE2 H 1 7.29 0.02 . 3 . . . A 98 PHE HE2 . 17736 1 1232 . 1 1 98 98 PHE C C 13 175.5 0.2 . 1 . . . A 98 PHE C . 17736 1 1233 . 1 1 98 98 PHE CA C 13 57.7 0.2 . 1 . . . A 98 PHE CA . 17736 1 1234 . 1 1 98 98 PHE CB C 13 41.1 0.2 . 1 . . . A 98 PHE CB . 17736 1 1235 . 1 1 98 98 PHE CD1 C 13 132.8 0.2 . 3 . . . A 98 PHE CD1 . 17736 1 1236 . 1 1 98 98 PHE CD2 C 13 132.8 0.2 . 3 . . . A 98 PHE CD2 . 17736 1 1237 . 1 1 98 98 PHE CE1 C 13 131.4 0.2 . 3 . . . A 98 PHE CE1 . 17736 1 1238 . 1 1 98 98 PHE CE2 C 13 131.4 0.2 . 3 . . . A 98 PHE CE2 . 17736 1 1239 . 1 1 98 98 PHE N N 15 121.6 0.2 . 1 . . . A 98 PHE N . 17736 1 1240 . 1 1 99 99 THR H H 1 8.25 0.02 . 1 . . . A 99 THR H . 17736 1 1241 . 1 1 99 99 THR HA H 1 5.14 0.02 . 1 . . . A 99 THR HA . 17736 1 1242 . 1 1 99 99 THR HB H 1 3.83 0.02 . 1 . . . A 99 THR HB . 17736 1 1243 . 1 1 99 99 THR HG21 H 1 0.76 0.02 . 1 . . . A 99 THR HG21 . 17736 1 1244 . 1 1 99 99 THR HG22 H 1 0.76 0.02 . 1 . . . A 99 THR HG22 . 17736 1 1245 . 1 1 99 99 THR HG23 H 1 0.76 0.02 . 1 . . . A 99 THR HG23 . 17736 1 1246 . 1 1 99 99 THR C C 13 174.2 0.2 . 1 . . . A 99 THR C . 17736 1 1247 . 1 1 99 99 THR CA C 13 60.1 0.2 . 1 . . . A 99 THR CA . 17736 1 1248 . 1 1 99 99 THR CB C 13 71.7 0.2 . 1 . . . A 99 THR CB . 17736 1 1249 . 1 1 99 99 THR CG2 C 13 20.9 0.2 . 1 . . . A 99 THR CG2 . 17736 1 1250 . 1 1 99 99 THR N N 15 112.5 0.2 . 1 . . . A 99 THR N . 17736 1 1251 . 1 1 100 100 ASP H H 1 8.10 0.02 . 1 . . . A 100 ASP H . 17736 1 1252 . 1 1 100 100 ASP HA H 1 4.85 0.02 . 1 . . . A 100 ASP HA . 17736 1 1253 . 1 1 100 100 ASP HB2 H 1 2.81 0.02 . 2 . . . A 100 ASP HB2 . 17736 1 1254 . 1 1 100 100 ASP HB3 H 1 3.23 0.02 . 2 . . . A 100 ASP HB3 . 17736 1 1255 . 1 1 100 100 ASP C C 13 178.0 0.2 . 1 . . . A 100 ASP C . 17736 1 1256 . 1 1 100 100 ASP CA C 13 52.4 0.2 . 1 . . . A 100 ASP CA . 17736 1 1257 . 1 1 100 100 ASP CB C 13 41.5 0.2 . 1 . . . A 100 ASP CB . 17736 1 1258 . 1 1 100 100 ASP N N 15 118.7 0.2 . 1 . . . A 100 ASP N . 17736 1 1259 . 1 1 101 101 ALA H H 1 8.02 0.02 . 1 . . . A 101 ALA H . 17736 1 1260 . 1 1 101 101 ALA HA H 1 2.11 0.02 . 1 . . . A 101 ALA HA . 17736 1 1261 . 1 1 101 101 ALA HB1 H 1 0.89 0.02 . 1 . . . A 101 ALA HB1 . 17736 1 1262 . 1 1 101 101 ALA HB2 H 1 0.89 0.02 . 1 . . . A 101 ALA HB2 . 17736 1 1263 . 1 1 101 101 ALA HB3 H 1 0.89 0.02 . 1 . . . A 101 ALA HB3 . 17736 1 1264 . 1 1 101 101 ALA C C 13 177.3 0.2 . 1 . . . A 101 ALA C . 17736 1 1265 . 1 1 101 101 ALA CA C 13 53.7 0.2 . 1 . . . A 101 ALA CA . 17736 1 1266 . 1 1 101 101 ALA CB C 13 18.0 0.2 . 1 . . . A 101 ALA CB . 17736 1 1267 . 1 1 101 101 ALA N N 15 120.3 0.2 . 1 . . . A 101 ALA N . 17736 1 1268 . 1 1 102 102 SER H H 1 7.90 0.02 . 1 . . . A 102 SER H . 17736 1 1269 . 1 1 102 102 SER HA H 1 4.24 0.02 . 1 . . . A 102 SER HA . 17736 1 1270 . 1 1 102 102 SER HB2 H 1 3.78 0.02 . 2 . . . A 102 SER HB2 . 17736 1 1271 . 1 1 102 102 SER HB3 H 1 3.87 0.02 . 2 . . . A 102 SER HB3 . 17736 1 1272 . 1 1 102 102 SER C C 13 175.3 0.2 . 1 . . . A 102 SER C . 17736 1 1273 . 1 1 102 102 SER CA C 13 58.3 0.2 . 1 . . . A 102 SER CA . 17736 1 1274 . 1 1 102 102 SER CB C 13 64.5 0.2 . 1 . . . A 102 SER CB . 17736 1 1275 . 1 1 102 102 SER N N 15 111.8 0.2 . 1 . . . A 102 SER N . 17736 1 1276 . 1 1 103 103 GLY H H 1 7.75 0.02 . 1 . . . A 103 GLY H . 17736 1 1277 . 1 1 103 103 GLY HA2 H 1 3.46 0.02 . 2 . . . A 103 GLY HA2 . 17736 1 1278 . 1 1 103 103 GLY HA3 H 1 4.02 0.02 . 2 . . . A 103 GLY HA3 . 17736 1 1279 . 1 1 103 103 GLY C C 13 172.9 0.2 . 1 . . . A 103 GLY C . 17736 1 1280 . 1 1 103 103 GLY CA C 13 45.5 0.2 . 1 . . . A 103 GLY CA . 17736 1 1281 . 1 1 103 103 GLY N N 15 109.9 0.2 . 1 . . . A 103 GLY N . 17736 1 1282 . 1 1 104 104 LYS H H 1 7.77 0.02 . 1 . . . A 104 LYS H . 17736 1 1283 . 1 1 104 104 LYS HA H 1 4.18 0.02 . 1 . . . A 104 LYS HA . 17736 1 1284 . 1 1 104 104 LYS HB2 H 1 1.62 0.02 . 2 . . . A 104 LYS HB2 . 17736 1 1285 . 1 1 104 104 LYS HB3 H 1 1.76 0.02 . 2 . . . A 104 LYS HB3 . 17736 1 1286 . 1 1 104 104 LYS HG2 H 1 1.25 0.02 . 2 . . . A 104 LYS HG2 . 17736 1 1287 . 1 1 104 104 LYS HG3 H 1 1.38 0.02 . 2 . . . A 104 LYS HG3 . 17736 1 1288 . 1 1 104 104 LYS HD2 H 1 1.67 0.02 . 2 . . . A 104 LYS HD2 . 17736 1 1289 . 1 1 104 104 LYS HD3 H 1 1.67 0.02 . 2 . . . A 104 LYS HD3 . 17736 1 1290 . 1 1 104 104 LYS HE2 H 1 2.99 0.02 . 2 . . . A 104 LYS HE2 . 17736 1 1291 . 1 1 104 104 LYS HE3 H 1 2.99 0.02 . 2 . . . A 104 LYS HE3 . 17736 1 1292 . 1 1 104 104 LYS C C 13 177.1 0.2 . 1 . . . A 104 LYS C . 17736 1 1293 . 1 1 104 104 LYS CA C 13 56.1 0.2 . 1 . . . A 104 LYS CA . 17736 1 1294 . 1 1 104 104 LYS CB C 13 32.3 0.2 . 1 . . . A 104 LYS CB . 17736 1 1295 . 1 1 104 104 LYS CG C 13 24.7 0.2 . 1 . . . A 104 LYS CG . 17736 1 1296 . 1 1 104 104 LYS CD C 13 29.2 0.2 . 1 . . . A 104 LYS CD . 17736 1 1297 . 1 1 104 104 LYS CE C 13 42.1 0.2 . 1 . . . A 104 LYS CE . 17736 1 1298 . 1 1 104 104 LYS N N 15 120.9 0.2 . 1 . . . A 104 LYS N . 17736 1 1299 . 1 1 105 105 LEU H H 1 8.60 0.02 . 1 . . . A 105 LEU H . 17736 1 1300 . 1 1 105 105 LEU HA H 1 3.99 0.02 . 1 . . . A 105 LEU HA . 17736 1 1301 . 1 1 105 105 LEU HB2 H 1 1.51 0.02 . 2 . . . A 105 LEU HB2 . 17736 1 1302 . 1 1 105 105 LEU HB3 H 1 1.60 0.02 . 2 . . . A 105 LEU HB3 . 17736 1 1303 . 1 1 105 105 LEU HG H 1 1.50 0.02 . 1 . . . A 105 LEU HG . 17736 1 1304 . 1 1 105 105 LEU HD11 H 1 0.89 0.02 . 1 . . . A 105 LEU HD11 . 17736 1 1305 . 1 1 105 105 LEU HD12 H 1 0.89 0.02 . 1 . . . A 105 LEU HD12 . 17736 1 1306 . 1 1 105 105 LEU HD13 H 1 0.89 0.02 . 1 . . . A 105 LEU HD13 . 17736 1 1307 . 1 1 105 105 LEU HD21 H 1 0.89 0.02 . 1 . . . A 105 LEU HD21 . 17736 1 1308 . 1 1 105 105 LEU HD22 H 1 0.89 0.02 . 1 . . . A 105 LEU HD22 . 17736 1 1309 . 1 1 105 105 LEU HD23 H 1 0.89 0.02 . 1 . . . A 105 LEU HD23 . 17736 1 1310 . 1 1 105 105 LEU C C 13 176.0 0.2 . 1 . . . A 105 LEU C . 17736 1 1311 . 1 1 105 105 LEU CA C 13 56.4 0.2 . 1 . . . A 105 LEU CA . 17736 1 1312 . 1 1 105 105 LEU CB C 13 43.0 0.2 . 1 . . . A 105 LEU CB . 17736 1 1313 . 1 1 105 105 LEU CG C 13 27.4 0.2 . 1 . . . A 105 LEU CG . 17736 1 1314 . 1 1 105 105 LEU CD1 C 13 24.3 0.2 . 1 . . . A 105 LEU CD1 . 17736 1 1315 . 1 1 105 105 LEU CD2 C 13 24.3 0.2 . 1 . . . A 105 LEU CD2 . 17736 1 1316 . 1 1 105 105 LEU N N 15 130.4 0.2 . 1 . . . A 105 LEU N . 17736 1 1317 . 1 1 106 106 ASN H H 1 9.09 0.02 . 1 . . . A 106 ASN H . 17736 1 1318 . 1 1 106 106 ASN HA H 1 4.88 0.02 . 1 . . . A 106 ASN HA . 17736 1 1319 . 1 1 106 106 ASN HB2 H 1 2.64 0.02 . 2 . . . A 106 ASN HB2 . 17736 1 1320 . 1 1 106 106 ASN HB3 H 1 2.92 0.02 . 2 . . . A 106 ASN HB3 . 17736 1 1321 . 1 1 106 106 ASN HD21 H 1 7.16 0.02 . 1 . . . A 106 ASN HD21 . 17736 1 1322 . 1 1 106 106 ASN HD22 H 1 7.59 0.02 . 1 . . . A 106 ASN HD22 . 17736 1 1323 . 1 1 106 106 ASN C C 13 177.0 0.2 . 1 . . . A 106 ASN C . 17736 1 1324 . 1 1 106 106 ASN CA C 13 52.0 0.2 . 1 . . . A 106 ASN CA . 17736 1 1325 . 1 1 106 106 ASN CB C 13 37.9 0.2 . 1 . . . A 106 ASN CB . 17736 1 1326 . 1 1 106 106 ASN CG C 13 176.8 0.2 . 1 . . . A 106 ASN CG . 17736 1 1327 . 1 1 106 106 ASN N N 15 123.4 0.2 . 1 . . . A 106 ASN N . 17736 1 1328 . 1 1 106 106 ASN ND2 N 15 111.5 0.2 . 1 . . . A 106 ASN ND2 . 17736 1 1329 . 1 1 107 107 THR H H 1 8.55 0.02 . 1 . . . A 107 THR H . 17736 1 1330 . 1 1 107 107 THR HA H 1 4.19 0.02 . 1 . . . A 107 THR HA . 17736 1 1331 . 1 1 107 107 THR HB H 1 4.56 0.02 . 1 . . . A 107 THR HB . 17736 1 1332 . 1 1 107 107 THR HG21 H 1 1.26 0.02 . 1 . . . A 107 THR HG21 . 17736 1 1333 . 1 1 107 107 THR HG22 H 1 1.26 0.02 . 1 . . . A 107 THR HG22 . 17736 1 1334 . 1 1 107 107 THR HG23 H 1 1.26 0.02 . 1 . . . A 107 THR HG23 . 17736 1 1335 . 1 1 107 107 THR C C 13 175.1 0.2 . 1 . . . A 107 THR C . 17736 1 1336 . 1 1 107 107 THR CA C 13 63.6 0.2 . 1 . . . A 107 THR CA . 17736 1 1337 . 1 1 107 107 THR CB C 13 68.3 0.2 . 1 . . . A 107 THR CB . 17736 1 1338 . 1 1 107 107 THR CG2 C 13 22.1 0.2 . 1 . . . A 107 THR CG2 . 17736 1 1339 . 1 1 107 107 THR N N 15 116.5 0.2 . 1 . . . A 107 THR N . 17736 1 1340 . 1 1 108 108 GLU H H 1 8.36 0.02 . 1 . . . A 108 GLU H . 17736 1 1341 . 1 1 108 108 GLU HA H 1 4.38 0.02 . 1 . . . A 108 GLU HA . 17736 1 1342 . 1 1 108 108 GLU HB2 H 1 2.01 0.02 . 2 . . . A 108 GLU HB2 . 17736 1 1343 . 1 1 108 108 GLU HB3 H 1 2.20 0.02 . 2 . . . A 108 GLU HB3 . 17736 1 1344 . 1 1 108 108 GLU HG2 H 1 2.22 0.02 . 2 . . . A 108 GLU HG2 . 17736 1 1345 . 1 1 108 108 GLU HG3 H 1 2.31 0.02 . 2 . . . A 108 GLU HG3 . 17736 1 1346 . 1 1 108 108 GLU C C 13 176.4 0.2 . 1 . . . A 108 GLU C . 17736 1 1347 . 1 1 108 108 GLU CA C 13 56.7 0.2 . 1 . . . A 108 GLU CA . 17736 1 1348 . 1 1 108 108 GLU CB C 13 29.9 0.2 . 1 . . . A 108 GLU CB . 17736 1 1349 . 1 1 108 108 GLU CG C 13 36.9 0.2 . 1 . . . A 108 GLU CG . 17736 1 1350 . 1 1 108 108 GLU N N 15 119.5 0.2 . 1 . . . A 108 GLU N . 17736 1 1351 . 1 1 109 109 MET H H 1 7.21 0.02 . 1 . . . A 109 MET H . 17736 1 1352 . 1 1 109 109 MET HA H 1 4.87 0.02 . 1 . . . A 109 MET HA . 17736 1 1353 . 1 1 109 109 MET HB2 H 1 1.98 0.02 . 2 . . . A 109 MET HB2 . 17736 1 1354 . 1 1 109 109 MET HB3 H 1 1.98 0.02 . 2 . . . A 109 MET HB3 . 17736 1 1355 . 1 1 109 109 MET HG2 H 1 2.26 0.02 . 2 . . . A 109 MET HG2 . 17736 1 1356 . 1 1 109 109 MET HG3 H 1 2.38 0.02 . 2 . . . A 109 MET HG3 . 17736 1 1357 . 1 1 109 109 MET CA C 13 52.7 0.2 . 1 . . . A 109 MET CA . 17736 1 1358 . 1 1 109 109 MET CB C 13 33.6 0.2 . 1 . . . A 109 MET CB . 17736 1 1359 . 1 1 109 109 MET CG C 13 32.9 0.2 . 1 . . . A 109 MET CG . 17736 1 1360 . 1 1 109 109 MET N N 15 118.7 0.2 . 1 . . . A 109 MET N . 17736 1 1361 . 1 1 110 110 PRO HA H 1 4.53 0.02 . 1 . . . A 110 PRO HA . 17736 1 1362 . 1 1 110 110 PRO HB2 H 1 2.39 0.02 . 2 . . . A 110 PRO HB2 . 17736 1 1363 . 1 1 110 110 PRO HB3 H 1 2.09 0.02 . 2 . . . A 110 PRO HB3 . 17736 1 1364 . 1 1 110 110 PRO HG2 H 1 2.03 0.02 . 2 . . . A 110 PRO HG2 . 17736 1 1365 . 1 1 110 110 PRO HG3 H 1 2.14 0.02 . 2 . . . A 110 PRO HG3 . 17736 1 1366 . 1 1 110 110 PRO HD2 H 1 3.87 0.02 . 2 . . . A 110 PRO HD2 . 17736 1 1367 . 1 1 110 110 PRO HD3 H 1 3.47 0.02 . 2 . . . A 110 PRO HD3 . 17736 1 1368 . 1 1 110 110 PRO C C 13 176.2 0.2 . 1 . . . A 110 PRO C . 17736 1 1369 . 1 1 110 110 PRO CA C 13 64.0 0.2 . 1 . . . A 110 PRO CA . 17736 1 1370 . 1 1 110 110 PRO CB C 13 33.3 0.2 . 1 . . . A 110 PRO CB . 17736 1 1371 . 1 1 110 110 PRO CG C 13 28.2 0.2 . 1 . . . A 110 PRO CG . 17736 1 1372 . 1 1 110 110 PRO CD C 13 50.6 0.2 . 1 . . . A 110 PRO CD . 17736 1 1373 . 1 1 111 111 ARG H H 1 8.43 0.02 . 1 . . . A 111 ARG H . 17736 1 1374 . 1 1 111 111 ARG HA H 1 4.96 0.02 . 1 . . . A 111 ARG HA . 17736 1 1375 . 1 1 111 111 ARG HB2 H 1 1.91 0.02 . 2 . . . A 111 ARG HB2 . 17736 1 1376 . 1 1 111 111 ARG HB3 H 1 2.09 0.02 . 2 . . . A 111 ARG HB3 . 17736 1 1377 . 1 1 111 111 ARG HG2 H 1 1.92 0.02 . 2 . . . A 111 ARG HG2 . 17736 1 1378 . 1 1 111 111 ARG HG3 H 1 2.08 0.02 . 2 . . . A 111 ARG HG3 . 17736 1 1379 . 1 1 111 111 ARG HD2 H 1 3.31 0.02 . 2 . . . A 111 ARG HD2 . 17736 1 1380 . 1 1 111 111 ARG HD3 H 1 3.31 0.02 . 2 . . . A 111 ARG HD3 . 17736 1 1381 . 1 1 111 111 ARG C C 13 175.3 0.2 . 1 . . . A 111 ARG C . 17736 1 1382 . 1 1 111 111 ARG CA C 13 55.8 0.2 . 1 . . . A 111 ARG CA . 17736 1 1383 . 1 1 111 111 ARG CB C 13 33.2 0.2 . 1 . . . A 111 ARG CB . 17736 1 1384 . 1 1 111 111 ARG CG C 13 27.4 0.2 . 1 . . . A 111 ARG CG . 17736 1 1385 . 1 1 111 111 ARG CD C 13 44.1 0.2 . 1 . . . A 111 ARG CD . 17736 1 1386 . 1 1 111 111 ARG N N 15 120.9 0.2 . 1 . . . A 111 ARG N . 17736 1 1387 . 1 1 112 112 SER H H 1 8.57 0.02 . 1 . . . A 112 SER H . 17736 1 1388 . 1 1 112 112 SER HA H 1 4.72 0.02 . 1 . . . A 112 SER HA . 17736 1 1389 . 1 1 112 112 SER HB2 H 1 3.24 0.02 . 2 . . . A 112 SER HB2 . 17736 1 1390 . 1 1 112 112 SER HB3 H 1 3.54 0.02 . 2 . . . A 112 SER HB3 . 17736 1 1391 . 1 1 112 112 SER HG H 1 6.44 0.02 . 1 . . . A 112 SER HG . 17736 1 1392 . 1 1 112 112 SER C C 13 172.7 0.2 . 1 . . . A 112 SER C . 17736 1 1393 . 1 1 112 112 SER CA C 13 57.3 0.2 . 1 . . . A 112 SER CA . 17736 1 1394 . 1 1 112 112 SER CB C 13 66.4 0.2 . 1 . . . A 112 SER CB . 17736 1 1395 . 1 1 112 112 SER N N 15 115.5 0.2 . 1 . . . A 112 SER N . 17736 1 1396 . 1 1 113 113 ASN H H 1 8.52 0.02 . 1 . . . A 113 ASN H . 17736 1 1397 . 1 1 113 113 ASN HA H 1 5.41 0.02 . 1 . . . A 113 ASN HA . 17736 1 1398 . 1 1 113 113 ASN HB2 H 1 2.78 0.02 . 2 . . . A 113 ASN HB2 . 17736 1 1399 . 1 1 113 113 ASN HB3 H 1 2.78 0.02 . 2 . . . A 113 ASN HB3 . 17736 1 1400 . 1 1 113 113 ASN HD21 H 1 6.94 0.02 . 1 . . . A 113 ASN HD21 . 17736 1 1401 . 1 1 113 113 ASN HD22 H 1 7.29 0.02 . 1 . . . A 113 ASN HD22 . 17736 1 1402 . 1 1 113 113 ASN C C 13 173.9 0.2 . 1 . . . A 113 ASN C . 17736 1 1403 . 1 1 113 113 ASN CA C 13 53.0 0.2 . 1 . . . A 113 ASN CA . 17736 1 1404 . 1 1 113 113 ASN CB C 13 41.1 0.2 . 1 . . . A 113 ASN CB . 17736 1 1405 . 1 1 113 113 ASN CG C 13 177.0 0.2 . 1 . . . A 113 ASN CG . 17736 1 1406 . 1 1 113 113 ASN N N 15 119.0 0.2 . 1 . . . A 113 ASN N . 17736 1 1407 . 1 1 113 113 ASN ND2 N 15 114.1 0.2 . 1 . . . A 113 ASN ND2 . 17736 1 1408 . 1 1 114 114 TRP H H 1 9.45 0.02 . 1 . . . A 114 TRP H . 17736 1 1409 . 1 1 114 114 TRP HA H 1 5.32 0.02 . 1 . . . A 114 TRP HA . 17736 1 1410 . 1 1 114 114 TRP HB2 H 1 3.18 0.02 . 2 . . . A 114 TRP HB2 . 17736 1 1411 . 1 1 114 114 TRP HB3 H 1 3.32 0.02 . 2 . . . A 114 TRP HB3 . 17736 1 1412 . 1 1 114 114 TRP HD1 H 1 7.11 0.02 . 1 . . . A 114 TRP HD1 . 17736 1 1413 . 1 1 114 114 TRP HE1 H 1 9.60 0.02 . 1 . . . A 114 TRP HE1 . 17736 1 1414 . 1 1 114 114 TRP HZ2 H 1 7.66 0.02 . 1 . . . A 114 TRP HZ2 . 17736 1 1415 . 1 1 114 114 TRP HZ3 H 1 7.86 0.02 . 1 . . . A 114 TRP HZ3 . 17736 1 1416 . 1 1 114 114 TRP HH2 H 1 7.42 0.02 . 1 . . . A 114 TRP HH2 . 17736 1 1417 . 1 1 114 114 TRP C C 13 175.2 0.2 . 1 . . . A 114 TRP C . 17736 1 1418 . 1 1 114 114 TRP CA C 13 56.7 0.2 . 1 . . . A 114 TRP CA . 17736 1 1419 . 1 1 114 114 TRP CB C 13 31.7 0.2 . 1 . . . A 114 TRP CB . 17736 1 1420 . 1 1 114 114 TRP CD1 C 13 126.4 0.2 . 1 . . . A 114 TRP CD1 . 17736 1 1421 . 1 1 114 114 TRP CZ2 C 13 114.7 0.2 . 1 . . . A 114 TRP CZ2 . 17736 1 1422 . 1 1 114 114 TRP CZ3 C 13 120.9 0.2 . 1 . . . A 114 TRP CZ3 . 17736 1 1423 . 1 1 114 114 TRP CH2 C 13 124.3 0.2 . 1 . . . A 114 TRP CH2 . 17736 1 1424 . 1 1 114 114 TRP N N 15 123.9 0.2 . 1 . . . A 114 TRP N . 17736 1 1425 . 1 1 115 115 ASP H H 1 8.83 0.02 . 1 . . . A 115 ASP H . 17736 1 1426 . 1 1 115 115 ASP HA H 1 5.00 0.02 . 1 . . . A 115 ASP HA . 17736 1 1427 . 1 1 115 115 ASP HB2 H 1 2.66 0.02 . 2 . . . A 115 ASP HB2 . 17736 1 1428 . 1 1 115 115 ASP HB3 H 1 3.23 0.02 . 2 . . . A 115 ASP HB3 . 17736 1 1429 . 1 1 115 115 ASP C C 13 174.5 0.2 . 1 . . . A 115 ASP C . 17736 1 1430 . 1 1 115 115 ASP CA C 13 54.0 0.2 . 1 . . . A 115 ASP CA . 17736 1 1431 . 1 1 115 115 ASP CB C 13 42.9 0.2 . 1 . . . A 115 ASP CB . 17736 1 1432 . 1 1 115 115 ASP N N 15 124.3 0.2 . 1 . . . A 115 ASP N . 17736 1 1433 . 1 1 116 116 MET H H 1 9.25 0.02 . 1 . . . A 116 MET H . 17736 1 1434 . 1 1 116 116 MET HA H 1 5.38 0.02 . 1 . . . A 116 MET HA . 17736 1 1435 . 1 1 116 116 MET HB2 H 1 1.21 0.02 . 2 . . . A 116 MET HB2 . 17736 1 1436 . 1 1 116 116 MET HB3 H 1 1.21 0.02 . 2 . . . A 116 MET HB3 . 17736 1 1437 . 1 1 116 116 MET HG2 H 1 2.02 0.02 . 2 . . . A 116 MET HG2 . 17736 1 1438 . 1 1 116 116 MET HG3 H 1 2.02 0.02 . 2 . . . A 116 MET HG3 . 17736 1 1439 . 1 1 116 116 MET HE1 H 1 0.94 0.02 . 1 . . . A 116 MET HE1 . 17736 1 1440 . 1 1 116 116 MET HE2 H 1 0.94 0.02 . 1 . . . A 116 MET HE2 . 17736 1 1441 . 1 1 116 116 MET HE3 H 1 0.94 0.02 . 1 . . . A 116 MET HE3 . 17736 1 1442 . 1 1 116 116 MET C C 13 175.1 0.2 . 1 . . . A 116 MET C . 17736 1 1443 . 1 1 116 116 MET CA C 13 52.8 0.2 . 1 . . . A 116 MET CA . 17736 1 1444 . 1 1 116 116 MET CB C 13 32.4 0.2 . 1 . . . A 116 MET CB . 17736 1 1445 . 1 1 116 116 MET CG C 13 30.7 0.2 . 1 . . . A 116 MET CG . 17736 1 1446 . 1 1 116 116 MET CE C 13 15.8 0.2 . 1 . . . A 116 MET CE . 17736 1 1447 . 1 1 116 116 MET N N 15 126.2 0.2 . 1 . . . A 116 MET N . 17736 1 1448 . 1 1 117 117 ARG H H 1 8.87 0.02 . 1 . . . A 117 ARG H . 17736 1 1449 . 1 1 117 117 ARG HA H 1 5.41 0.02 . 1 . . . A 117 ARG HA . 17736 1 1450 . 1 1 117 117 ARG HB2 H 1 1.64 0.02 . 2 . . . A 117 ARG HB2 . 17736 1 1451 . 1 1 117 117 ARG HB3 H 1 1.93 0.02 . 2 . . . A 117 ARG HB3 . 17736 1 1452 . 1 1 117 117 ARG HG2 H 1 1.60 0.02 . 2 . . . A 117 ARG HG2 . 17736 1 1453 . 1 1 117 117 ARG HG3 H 1 1.80 0.02 . 2 . . . A 117 ARG HG3 . 17736 1 1454 . 1 1 117 117 ARG HD2 H 1 3.08 0.02 . 2 . . . A 117 ARG HD2 . 17736 1 1455 . 1 1 117 117 ARG HD3 H 1 3.21 0.02 . 2 . . . A 117 ARG HD3 . 17736 1 1456 . 1 1 117 117 ARG HE H 1 7.53 0.02 . 1 . . . A 117 ARG HE . 17736 1 1457 . 1 1 117 117 ARG C C 13 174.5 0.2 . 1 . . . A 117 ARG C . 17736 1 1458 . 1 1 117 117 ARG CA C 13 53.5 0.2 . 1 . . . A 117 ARG CA . 17736 1 1459 . 1 1 117 117 ARG CB C 13 33.0 0.2 . 1 . . . A 117 ARG CB . 17736 1 1460 . 1 1 117 117 ARG CG C 13 27.8 0.2 . 1 . . . A 117 ARG CG . 17736 1 1461 . 1 1 117 117 ARG CD C 13 43.2 0.2 . 1 . . . A 117 ARG CD . 17736 1 1462 . 1 1 117 117 ARG N N 15 119.9 0.2 . 1 . . . A 117 ARG N . 17736 1 1463 . 1 1 117 117 ARG NE N 15 85.2 0.2 . 1 . . . A 117 ARG NE . 17736 1 1464 . 1 1 118 118 PHE H H 1 8.67 0.02 . 1 . . . A 118 PHE H . 17736 1 1465 . 1 1 118 118 PHE HA H 1 4.89 0.02 . 1 . . . A 118 PHE HA . 17736 1 1466 . 1 1 118 118 PHE HB2 H 1 2.43 0.02 . 2 . . . A 118 PHE HB2 . 17736 1 1467 . 1 1 118 118 PHE HB3 H 1 3.73 0.02 . 2 . . . A 118 PHE HB3 . 17736 1 1468 . 1 1 118 118 PHE HD1 H 1 6.95 0.02 . 3 . . . A 118 PHE HD1 . 17736 1 1469 . 1 1 118 118 PHE HD2 H 1 6.95 0.02 . 3 . . . A 118 PHE HD2 . 17736 1 1470 . 1 1 118 118 PHE C C 13 175.2 0.2 . 1 . . . A 118 PHE C . 17736 1 1471 . 1 1 118 118 PHE CA C 13 56.9 0.2 . 1 . . . A 118 PHE CA . 17736 1 1472 . 1 1 118 118 PHE CB C 13 41.4 0.2 . 1 . . . A 118 PHE CB . 17736 1 1473 . 1 1 118 118 PHE CD1 C 13 131.1 0.2 . 3 . . . A 118 PHE CD1 . 17736 1 1474 . 1 1 118 118 PHE CD2 C 13 131.1 0.2 . 3 . . . A 118 PHE CD2 . 17736 1 1475 . 1 1 118 118 PHE N N 15 119.7 0.2 . 1 . . . A 118 PHE N . 17736 1 1476 . 1 1 119 119 ILE H H 1 9.91 0.02 . 1 . . . A 119 ILE H . 17736 1 1477 . 1 1 119 119 ILE HA H 1 4.39 0.02 . 1 . . . A 119 ILE HA . 17736 1 1478 . 1 1 119 119 ILE HB H 1 2.12 0.02 . 1 . . . A 119 ILE HB . 17736 1 1479 . 1 1 119 119 ILE HG12 H 1 1.30 0.02 . 2 . . . A 119 ILE HG12 . 17736 1 1480 . 1 1 119 119 ILE HG13 H 1 1.40 0.02 . 2 . . . A 119 ILE HG13 . 17736 1 1481 . 1 1 119 119 ILE HG21 H 1 0.92 0.02 . 1 . . . A 119 ILE HG21 . 17736 1 1482 . 1 1 119 119 ILE HG22 H 1 0.92 0.02 . 1 . . . A 119 ILE HG22 . 17736 1 1483 . 1 1 119 119 ILE HG23 H 1 0.92 0.02 . 1 . . . A 119 ILE HG23 . 17736 1 1484 . 1 1 119 119 ILE HD11 H 1 0.75 0.02 . 1 . . . A 119 ILE HD11 . 17736 1 1485 . 1 1 119 119 ILE HD12 H 1 0.75 0.02 . 1 . . . A 119 ILE HD12 . 17736 1 1486 . 1 1 119 119 ILE HD13 H 1 0.75 0.02 . 1 . . . A 119 ILE HD13 . 17736 1 1487 . 1 1 119 119 ILE C C 13 175.5 0.2 . 1 . . . A 119 ILE C . 17736 1 1488 . 1 1 119 119 ILE CA C 13 60.7 0.2 . 1 . . . A 119 ILE CA . 17736 1 1489 . 1 1 119 119 ILE CB C 13 40.0 0.2 . 1 . . . A 119 ILE CB . 17736 1 1490 . 1 1 119 119 ILE CG1 C 13 28.3 0.2 . 1 . . . A 119 ILE CG1 . 17736 1 1491 . 1 1 119 119 ILE CG2 C 13 18.0 0.2 . 1 . . . A 119 ILE CG2 . 17736 1 1492 . 1 1 119 119 ILE CD1 C 13 13.1 0.2 . 1 . . . A 119 ILE CD1 . 17736 1 1493 . 1 1 119 119 ILE N N 15 128.0 0.2 . 1 . . . A 119 ILE N . 17736 1 1494 . 1 1 120 120 ASP H H 1 8.87 0.02 . 1 . . . A 120 ASP H . 17736 1 1495 . 1 1 120 120 ASP HA H 1 4.85 0.02 . 1 . . . A 120 ASP HA . 17736 1 1496 . 1 1 120 120 ASP HB2 H 1 2.28 0.02 . 2 . . . A 120 ASP HB2 . 17736 1 1497 . 1 1 120 120 ASP HB3 H 1 3.08 0.02 . 2 . . . A 120 ASP HB3 . 17736 1 1498 . 1 1 120 120 ASP C C 13 175.8 0.2 . 1 . . . A 120 ASP C . 17736 1 1499 . 1 1 120 120 ASP CA C 13 54.1 0.2 . 1 . . . A 120 ASP CA . 17736 1 1500 . 1 1 120 120 ASP CB C 13 41.3 0.2 . 1 . . . A 120 ASP CB . 17736 1 1501 . 1 1 120 120 ASP N N 15 128.7 0.2 . 1 . . . A 120 ASP N . 17736 1 1502 . 1 1 121 121 LYS H H 1 8.03 0.02 . 1 . . . A 121 LYS H . 17736 1 1503 . 1 1 121 121 LYS HA H 1 4.80 0.02 . 1 . . . A 121 LYS HA . 17736 1 1504 . 1 1 121 121 LYS HB2 H 1 1.53 0.02 . 2 . . . A 121 LYS HB2 . 17736 1 1505 . 1 1 121 121 LYS HB3 H 1 1.96 0.02 . 2 . . . A 121 LYS HB3 . 17736 1 1506 . 1 1 121 121 LYS HG2 H 1 1.40 0.02 . 2 . . . A 121 LYS HG2 . 17736 1 1507 . 1 1 121 121 LYS HG3 H 1 1.40 0.02 . 2 . . . A 121 LYS HG3 . 17736 1 1508 . 1 1 121 121 LYS HD2 H 1 1.66 0.02 . 2 . . . A 121 LYS HD2 . 17736 1 1509 . 1 1 121 121 LYS HD3 H 1 1.71 0.02 . 2 . . . A 121 LYS HD3 . 17736 1 1510 . 1 1 121 121 LYS HE2 H 1 2.90 0.02 . 2 . . . A 121 LYS HE2 . 17736 1 1511 . 1 1 121 121 LYS HE3 H 1 2.90 0.02 . 2 . . . A 121 LYS HE3 . 17736 1 1512 . 1 1 121 121 LYS C C 13 177.1 0.2 . 1 . . . A 121 LYS C . 17736 1 1513 . 1 1 121 121 LYS CA C 13 54.7 0.2 . 1 . . . A 121 LYS CA . 17736 1 1514 . 1 1 121 121 LYS CB C 13 31.4 0.2 . 1 . . . A 121 LYS CB . 17736 1 1515 . 1 1 121 121 LYS CG C 13 25.2 0.2 . 1 . . . A 121 LYS CG . 17736 1 1516 . 1 1 121 121 LYS CD C 13 30.1 0.2 . 1 . . . A 121 LYS CD . 17736 1 1517 . 1 1 121 121 LYS CE C 13 42.1 0.2 . 1 . . . A 121 LYS CE . 17736 1 1518 . 1 1 121 121 LYS N N 15 130.0 0.2 . 1 . . . A 121 LYS N . 17736 1 1519 . 1 1 122 122 GLY H H 1 9.25 0.02 . 1 . . . A 122 GLY H . 17736 1 1520 . 1 1 122 122 GLY HA2 H 1 3.60 0.02 . 2 . . . A 122 GLY HA2 . 17736 1 1521 . 1 1 122 122 GLY HA3 H 1 4.25 0.02 . 2 . . . A 122 GLY HA3 . 17736 1 1522 . 1 1 122 122 GLY C C 13 174.6 0.2 . 1 . . . A 122 GLY C . 17736 1 1523 . 1 1 122 122 GLY CA C 13 46.9 0.2 . 1 . . . A 122 GLY CA . 17736 1 1524 . 1 1 122 122 GLY N N 15 111.2 0.2 . 1 . . . A 122 GLY N . 17736 1 1525 . 1 1 123 123 GLU H H 1 8.93 0.02 . 1 . . . A 123 GLU H . 17736 1 1526 . 1 1 123 123 GLU HA H 1 4.09 0.02 . 1 . . . A 123 GLU HA . 17736 1 1527 . 1 1 123 123 GLU HB2 H 1 1.89 0.02 . 2 . . . A 123 GLU HB2 . 17736 1 1528 . 1 1 123 123 GLU HB3 H 1 2.18 0.02 . 2 . . . A 123 GLU HB3 . 17736 1 1529 . 1 1 123 123 GLU HG2 H 1 2.27 0.02 . 2 . . . A 123 GLU HG2 . 17736 1 1530 . 1 1 123 123 GLU HG3 H 1 2.34 0.02 . 2 . . . A 123 GLU HG3 . 17736 1 1531 . 1 1 123 123 GLU C C 13 174.1 0.2 . 1 . . . A 123 GLU C . 17736 1 1532 . 1 1 123 123 GLU CA C 13 57.3 0.2 . 1 . . . A 123 GLU CA . 17736 1 1533 . 1 1 123 123 GLU CB C 13 29.6 0.2 . 1 . . . A 123 GLU CB . 17736 1 1534 . 1 1 123 123 GLU CG C 13 36.6 0.2 . 1 . . . A 123 GLU CG . 17736 1 1535 . 1 1 123 123 GLU N N 15 127.6 0.2 . 1 . . . A 123 GLU N . 17736 1 1536 . 1 1 124 124 ILE H H 1 6.92 0.02 . 1 . . . A 124 ILE H . 17736 1 1537 . 1 1 124 124 ILE HA H 1 4.82 0.02 . 1 . . . A 124 ILE HA . 17736 1 1538 . 1 1 124 124 ILE HB H 1 1.81 0.02 . 1 . . . A 124 ILE HB . 17736 1 1539 . 1 1 124 124 ILE HG12 H 1 1.13 0.02 . 2 . . . A 124 ILE HG12 . 17736 1 1540 . 1 1 124 124 ILE HG13 H 1 1.39 0.02 . 2 . . . A 124 ILE HG13 . 17736 1 1541 . 1 1 124 124 ILE HG21 H 1 0.85 0.02 . 1 . . . A 124 ILE HG21 . 17736 1 1542 . 1 1 124 124 ILE HG22 H 1 0.85 0.02 . 1 . . . A 124 ILE HG22 . 17736 1 1543 . 1 1 124 124 ILE HG23 H 1 0.85 0.02 . 1 . . . A 124 ILE HG23 . 17736 1 1544 . 1 1 124 124 ILE HD11 H 1 0.75 0.02 . 1 . . . A 124 ILE HD11 . 17736 1 1545 . 1 1 124 124 ILE HD12 H 1 0.75 0.02 . 1 . . . A 124 ILE HD12 . 17736 1 1546 . 1 1 124 124 ILE HD13 H 1 0.75 0.02 . 1 . . . A 124 ILE HD13 . 17736 1 1547 . 1 1 124 124 ILE C C 13 175.8 0.2 . 1 . . . A 124 ILE C . 17736 1 1548 . 1 1 124 124 ILE CA C 13 58.3 0.2 . 1 . . . A 124 ILE CA . 17736 1 1549 . 1 1 124 124 ILE CB C 13 40.9 0.2 . 1 . . . A 124 ILE CB . 17736 1 1550 . 1 1 124 124 ILE CG1 C 13 27.7 0.2 . 1 . . . A 124 ILE CG1 . 17736 1 1551 . 1 1 124 124 ILE CG2 C 13 18.0 0.2 . 1 . . . A 124 ILE CG2 . 17736 1 1552 . 1 1 124 124 ILE CD1 C 13 13.0 0.2 . 1 . . . A 124 ILE CD1 . 17736 1 1553 . 1 1 124 124 ILE N N 15 114.8 0.2 . 1 . . . A 124 ILE N . 17736 1 1554 . 1 1 125 125 THR H H 1 8.87 0.02 . 1 . . . A 125 THR H . 17736 1 1555 . 1 1 125 125 THR HA H 1 5.09 0.02 . 1 . . . A 125 THR HA . 17736 1 1556 . 1 1 125 125 THR HB H 1 3.96 0.02 . 1 . . . A 125 THR HB . 17736 1 1557 . 1 1 125 125 THR HG1 H 1 6.18 0.02 . 1 . . . A 125 THR HG1 . 17736 1 1558 . 1 1 125 125 THR HG21 H 1 1.29 0.02 . 1 . . . A 125 THR HG21 . 17736 1 1559 . 1 1 125 125 THR HG22 H 1 1.29 0.02 . 1 . . . A 125 THR HG22 . 17736 1 1560 . 1 1 125 125 THR HG23 H 1 1.29 0.02 . 1 . . . A 125 THR HG23 . 17736 1 1561 . 1 1 125 125 THR C C 13 173.6 0.2 . 1 . . . A 125 THR C . 17736 1 1562 . 1 1 125 125 THR CA C 13 62.0 0.2 . 1 . . . A 125 THR CA . 17736 1 1563 . 1 1 125 125 THR CB C 13 72.2 0.2 . 1 . . . A 125 THR CB . 17736 1 1564 . 1 1 125 125 THR CG2 C 13 21.0 0.2 . 1 . . . A 125 THR CG2 . 17736 1 1565 . 1 1 125 125 THR N N 15 119.9 0.2 . 1 . . . A 125 THR N . 17736 1 1566 . 1 1 126 126 GLU H H 1 8.95 0.02 . 1 . . . A 126 GLU H . 17736 1 1567 . 1 1 126 126 GLU HA H 1 5.04 0.02 . 1 . . . A 126 GLU HA . 17736 1 1568 . 1 1 126 126 GLU HB2 H 1 1.86 0.02 . 2 . . . A 126 GLU HB2 . 17736 1 1569 . 1 1 126 126 GLU HB3 H 1 2.03 0.02 . 2 . . . A 126 GLU HB3 . 17736 1 1570 . 1 1 126 126 GLU HG2 H 1 1.84 0.02 . 2 . . . A 126 GLU HG2 . 17736 1 1571 . 1 1 126 126 GLU HG3 H 1 1.93 0.02 . 2 . . . A 126 GLU HG3 . 17736 1 1572 . 1 1 126 126 GLU C C 13 173.4 0.2 . 1 . . . A 126 GLU C . 17736 1 1573 . 1 1 126 126 GLU CA C 13 54.9 0.2 . 1 . . . A 126 GLU CA . 17736 1 1574 . 1 1 126 126 GLU CB C 13 33.6 0.2 . 1 . . . A 126 GLU CB . 17736 1 1575 . 1 1 126 126 GLU CG C 13 37.4 0.2 . 1 . . . A 126 GLU CG . 17736 1 1576 . 1 1 126 126 GLU N N 15 126.9 0.2 . 1 . . . A 126 GLU N . 17736 1 1577 . 1 1 127 127 VAL H H 1 9.48 0.02 . 1 . . . A 127 VAL H . 17736 1 1578 . 1 1 127 127 VAL HA H 1 4.65 0.02 . 1 . . . A 127 VAL HA . 17736 1 1579 . 1 1 127 127 VAL HB H 1 2.01 0.02 . 1 . . . A 127 VAL HB . 17736 1 1580 . 1 1 127 127 VAL HG11 H 1 0.03 0.02 . 1 . . . A 127 VAL HG11 . 17736 1 1581 . 1 1 127 127 VAL HG12 H 1 0.03 0.02 . 1 . . . A 127 VAL HG12 . 17736 1 1582 . 1 1 127 127 VAL HG13 H 1 0.03 0.02 . 1 . . . A 127 VAL HG13 . 17736 1 1583 . 1 1 127 127 VAL HG21 H 1 0.85 0.02 . 1 . . . A 127 VAL HG21 . 17736 1 1584 . 1 1 127 127 VAL HG22 H 1 0.85 0.02 . 1 . . . A 127 VAL HG22 . 17736 1 1585 . 1 1 127 127 VAL HG23 H 1 0.85 0.02 . 1 . . . A 127 VAL HG23 . 17736 1 1586 . 1 1 127 127 VAL C C 13 175.1 0.2 . 1 . . . A 127 VAL C . 17736 1 1587 . 1 1 127 127 VAL CA C 13 60.9 0.2 . 1 . . . A 127 VAL CA . 17736 1 1588 . 1 1 127 127 VAL CB C 13 33.6 0.2 . 1 . . . A 127 VAL CB . 17736 1 1589 . 1 1 127 127 VAL CG1 C 13 20.9 0.2 . 1 . . . A 127 VAL CG1 . 17736 1 1590 . 1 1 127 127 VAL CG2 C 13 23.5 0.2 . 1 . . . A 127 VAL CG2 . 17736 1 1591 . 1 1 127 127 VAL N N 15 129.7 0.2 . 1 . . . A 127 VAL N . 17736 1 1592 . 1 1 128 128 GLN H H 1 8.98 0.02 . 1 . . . A 128 GLN H . 17736 1 1593 . 1 1 128 128 GLN HA H 1 5.44 0.02 . 1 . . . A 128 GLN HA . 17736 1 1594 . 1 1 128 128 GLN HB2 H 1 1.68 0.02 . 2 . . . A 128 GLN HB2 . 17736 1 1595 . 1 1 128 128 GLN HB3 H 1 1.95 0.02 . 2 . . . A 128 GLN HB3 . 17736 1 1596 . 1 1 128 128 GLN HG2 H 1 2.21 0.02 . 2 . . . A 128 GLN HG2 . 17736 1 1597 . 1 1 128 128 GLN HG3 H 1 2.27 0.02 . 2 . . . A 128 GLN HG3 . 17736 1 1598 . 1 1 128 128 GLN HE21 H 1 6.88 0.02 . 1 . . . A 128 GLN HE21 . 17736 1 1599 . 1 1 128 128 GLN HE22 H 1 8.24 0.02 . 1 . . . A 128 GLN HE22 . 17736 1 1600 . 1 1 128 128 GLN C C 13 174.1 0.2 . 1 . . . A 128 GLN C . 17736 1 1601 . 1 1 128 128 GLN CA C 13 52.9 0.2 . 1 . . . A 128 GLN CA . 17736 1 1602 . 1 1 128 128 GLN CB C 13 30.2 0.2 . 1 . . . A 128 GLN CB . 17736 1 1603 . 1 1 128 128 GLN CG C 13 32.9 0.2 . 1 . . . A 128 GLN CG . 17736 1 1604 . 1 1 128 128 GLN CD C 13 179.6 0.2 . 1 . . . A 128 GLN CD . 17736 1 1605 . 1 1 128 128 GLN N N 15 123.2 0.2 . 1 . . . A 128 GLN N . 17736 1 1606 . 1 1 128 128 GLN NE2 N 15 112.3 0.2 . 1 . . . A 128 GLN NE2 . 17736 1 1607 . 1 1 129 129 TYR H H 1 9.78 0.02 . 1 . . . A 129 TYR H . 17736 1 1608 . 1 1 129 129 TYR HA H 1 5.43 0.02 . 1 . . . A 129 TYR HA . 17736 1 1609 . 1 1 129 129 TYR HB2 H 1 2.70 0.02 . 2 . . . A 129 TYR HB2 . 17736 1 1610 . 1 1 129 129 TYR HB3 H 1 3.03 0.02 . 2 . . . A 129 TYR HB3 . 17736 1 1611 . 1 1 129 129 TYR HD1 H 1 7.03 0.02 . 3 . . . A 129 TYR HD1 . 17736 1 1612 . 1 1 129 129 TYR HD2 H 1 7.03 0.02 . 3 . . . A 129 TYR HD2 . 17736 1 1613 . 1 1 129 129 TYR HE1 H 1 6.80 0.02 . 3 . . . A 129 TYR HE1 . 17736 1 1614 . 1 1 129 129 TYR HE2 H 1 6.80 0.02 . 3 . . . A 129 TYR HE2 . 17736 1 1615 . 1 1 129 129 TYR C C 13 174.7 0.2 . 1 . . . A 129 TYR C . 17736 1 1616 . 1 1 129 129 TYR CA C 13 54.8 0.2 . 1 . . . A 129 TYR CA . 17736 1 1617 . 1 1 129 129 TYR CB C 13 39.3 0.2 . 1 . . . A 129 TYR CB . 17736 1 1618 . 1 1 129 129 TYR CD1 C 13 133.0 0.2 . 3 . . . A 129 TYR CD1 . 17736 1 1619 . 1 1 129 129 TYR CD2 C 13 133.0 0.2 . 3 . . . A 129 TYR CD2 . 17736 1 1620 . 1 1 129 129 TYR CE1 C 13 118.5 0.2 . 3 . . . A 129 TYR CE1 . 17736 1 1621 . 1 1 129 129 TYR CE2 C 13 118.5 0.2 . 3 . . . A 129 TYR CE2 . 17736 1 1622 . 1 1 129 129 TYR N N 15 124.9 0.2 . 1 . . . A 129 TYR N . 17736 1 1623 . 1 1 130 130 HIS H H 1 9.05 0.02 . 1 . . . A 130 HIS H . 17736 1 1624 . 1 1 130 130 HIS HA H 1 5.15 0.02 . 1 . . . A 130 HIS HA . 17736 1 1625 . 1 1 130 130 HIS HB2 H 1 3.07 0.02 . 2 . . . A 130 HIS HB2 . 17736 1 1626 . 1 1 130 130 HIS HB3 H 1 3.45 0.02 . 2 . . . A 130 HIS HB3 . 17736 1 1627 . 1 1 130 130 HIS C C 13 173.4 0.2 . 1 . . . A 130 HIS C . 17736 1 1628 . 1 1 130 130 HIS CA C 13 55.7 0.2 . 1 . . . A 130 HIS CA . 17736 1 1629 . 1 1 130 130 HIS CB C 13 31.4 0.2 . 1 . . . A 130 HIS CB . 17736 1 1630 . 1 1 130 130 HIS N N 15 124.3 0.2 . 1 . . . A 130 HIS N . 17736 1 1631 . 1 1 131 131 ILE H H 1 9.22 0.02 . 1 . . . A 131 ILE H . 17736 1 1632 . 1 1 131 131 ILE HA H 1 4.88 0.02 . 1 . . . A 131 ILE HA . 17736 1 1633 . 1 1 131 131 ILE HB H 1 1.59 0.02 . 1 . . . A 131 ILE HB . 17736 1 1634 . 1 1 131 131 ILE HG12 H 1 0.09 0.02 . 2 . . . A 131 ILE HG12 . 17736 1 1635 . 1 1 131 131 ILE HG13 H 1 1.05 0.02 . 2 . . . A 131 ILE HG13 . 17736 1 1636 . 1 1 131 131 ILE HG21 H 1 0.43 0.02 . 1 . . . A 131 ILE HG21 . 17736 1 1637 . 1 1 131 131 ILE HG22 H 1 0.43 0.02 . 1 . . . A 131 ILE HG22 . 17736 1 1638 . 1 1 131 131 ILE HG23 H 1 0.43 0.02 . 1 . . . A 131 ILE HG23 . 17736 1 1639 . 1 1 131 131 ILE HD11 H 1 0.24 0.02 . 1 . . . A 131 ILE HD11 . 17736 1 1640 . 1 1 131 131 ILE HD12 H 1 0.24 0.02 . 1 . . . A 131 ILE HD12 . 17736 1 1641 . 1 1 131 131 ILE HD13 H 1 0.24 0.02 . 1 . . . A 131 ILE HD13 . 17736 1 1642 . 1 1 131 131 ILE C C 13 175.1 0.2 . 1 . . . A 131 ILE C . 17736 1 1643 . 1 1 131 131 ILE CA C 13 60.7 0.2 . 1 . . . A 131 ILE CA . 17736 1 1644 . 1 1 131 131 ILE CB C 13 40.2 0.2 . 1 . . . A 131 ILE CB . 17736 1 1645 . 1 1 131 131 ILE CG1 C 13 27.4 0.2 . 1 . . . A 131 ILE CG1 . 17736 1 1646 . 1 1 131 131 ILE CG2 C 13 17.7 0.2 . 1 . . . A 131 ILE CG2 . 17736 1 1647 . 1 1 131 131 ILE CD1 C 13 14.3 0.2 . 1 . . . A 131 ILE CD1 . 17736 1 1648 . 1 1 131 131 ILE N N 15 128.8 0.2 . 1 . . . A 131 ILE N . 17736 1 1649 . 1 1 132 132 SER H H 1 9.27 0.02 . 1 . . . A 132 SER H . 17736 1 1650 . 1 1 132 132 SER HA H 1 5.45 0.02 . 1 . . . A 132 SER HA . 17736 1 1651 . 1 1 132 132 SER HB2 H 1 3.87 0.02 . 2 . . . A 132 SER HB2 . 17736 1 1652 . 1 1 132 132 SER HB3 H 1 3.87 0.02 . 2 . . . A 132 SER HB3 . 17736 1 1653 . 1 1 132 132 SER C C 13 173.1 0.2 . 1 . . . A 132 SER C . 17736 1 1654 . 1 1 132 132 SER CA C 13 56.9 0.2 . 1 . . . A 132 SER CA . 17736 1 1655 . 1 1 132 132 SER CB C 13 66.3 0.2 . 1 . . . A 132 SER CB . 17736 1 1656 . 1 1 132 132 SER N N 15 120.9 0.2 . 1 . . . A 132 SER N . 17736 1 1657 . 1 1 133 133 TYR H H 1 8.44 0.02 . 1 . . . A 133 TYR H . 17736 1 1658 . 1 1 133 133 TYR HA H 1 4.79 0.02 . 1 . . . A 133 TYR HA . 17736 1 1659 . 1 1 133 133 TYR HB2 H 1 2.57 0.02 . 2 . . . A 133 TYR HB2 . 17736 1 1660 . 1 1 133 133 TYR HB3 H 1 3.16 0.02 . 2 . . . A 133 TYR HB3 . 17736 1 1661 . 1 1 133 133 TYR HD1 H 1 7.02 0.02 . 3 . . . A 133 TYR HD1 . 17736 1 1662 . 1 1 133 133 TYR HD2 H 1 7.02 0.02 . 3 . . . A 133 TYR HD2 . 17736 1 1663 . 1 1 133 133 TYR HE1 H 1 6.43 0.02 . 3 . . . A 133 TYR HE1 . 17736 1 1664 . 1 1 133 133 TYR HE2 H 1 6.43 0.02 . 3 . . . A 133 TYR HE2 . 17736 1 1665 . 1 1 133 133 TYR C C 13 176.2 0.2 . 1 . . . A 133 TYR C . 17736 1 1666 . 1 1 133 133 TYR CA C 13 57.2 0.2 . 1 . . . A 133 TYR CA . 17736 1 1667 . 1 1 133 133 TYR CB C 13 42.6 0.2 . 1 . . . A 133 TYR CB . 17736 1 1668 . 1 1 133 133 TYR CD1 C 13 132.9 0.2 . 3 . . . A 133 TYR CD1 . 17736 1 1669 . 1 1 133 133 TYR CD2 C 13 132.9 0.2 . 3 . . . A 133 TYR CD2 . 17736 1 1670 . 1 1 133 133 TYR CE1 C 13 118.8 0.2 . 3 . . . A 133 TYR CE1 . 17736 1 1671 . 1 1 133 133 TYR CE2 C 13 118.8 0.2 . 3 . . . A 133 TYR CE2 . 17736 1 1672 . 1 1 133 133 TYR N N 15 120.4 0.2 . 1 . . . A 133 TYR N . 17736 1 1673 . 1 1 134 134 ASP H H 1 9.36 0.02 . 1 . . . A 134 ASP H . 17736 1 1674 . 1 1 134 134 ASP HA H 1 4.55 0.02 . 1 . . . A 134 ASP HA . 17736 1 1675 . 1 1 134 134 ASP HB2 H 1 2.68 0.02 . 2 . . . A 134 ASP HB2 . 17736 1 1676 . 1 1 134 134 ASP HB3 H 1 2.79 0.02 . 2 . . . A 134 ASP HB3 . 17736 1 1677 . 1 1 134 134 ASP C C 13 176.3 0.2 . 1 . . . A 134 ASP C . 17736 1 1678 . 1 1 134 134 ASP CA C 13 56.5 0.2 . 1 . . . A 134 ASP CA . 17736 1 1679 . 1 1 134 134 ASP CB C 13 41.4 0.2 . 1 . . . A 134 ASP CB . 17736 1 1680 . 1 1 134 134 ASP N N 15 120.0 0.2 . 1 . . . A 134 ASP N . 17736 1 1681 . 1 1 135 135 ASP H H 1 7.63 0.02 . 1 . . . A 135 ASP H . 17736 1 1682 . 1 1 135 135 ASP HA H 1 4.79 0.02 . 1 . . . A 135 ASP HA . 17736 1 1683 . 1 1 135 135 ASP HB2 H 1 2.82 0.02 . 2 . . . A 135 ASP HB2 . 17736 1 1684 . 1 1 135 135 ASP HB3 H 1 2.88 0.02 . 2 . . . A 135 ASP HB3 . 17736 1 1685 . 1 1 135 135 ASP C C 13 175.8 0.2 . 1 . . . A 135 ASP C . 17736 1 1686 . 1 1 135 135 ASP CA C 13 52.7 0.2 . 1 . . . A 135 ASP CA . 17736 1 1687 . 1 1 135 135 ASP CB C 13 43.9 0.2 . 1 . . . A 135 ASP CB . 17736 1 1688 . 1 1 135 135 ASP N N 15 114.2 0.2 . 1 . . . A 135 ASP N . 17736 1 1689 . 1 1 136 136 VAL H H 1 9.05 0.02 . 1 . . . A 136 VAL H . 17736 1 1690 . 1 1 136 136 VAL HA H 1 3.74 0.02 . 1 . . . A 136 VAL HA . 17736 1 1691 . 1 1 136 136 VAL HB H 1 2.14 0.02 . 1 . . . A 136 VAL HB . 17736 1 1692 . 1 1 136 136 VAL HG11 H 1 1.02 0.02 . 1 . . . A 136 VAL HG11 . 17736 1 1693 . 1 1 136 136 VAL HG12 H 1 1.02 0.02 . 1 . . . A 136 VAL HG12 . 17736 1 1694 . 1 1 136 136 VAL HG13 H 1 1.02 0.02 . 1 . . . A 136 VAL HG13 . 17736 1 1695 . 1 1 136 136 VAL HG21 H 1 1.18 0.02 . 1 . . . A 136 VAL HG21 . 17736 1 1696 . 1 1 136 136 VAL HG22 H 1 1.18 0.02 . 1 . . . A 136 VAL HG22 . 17736 1 1697 . 1 1 136 136 VAL HG23 H 1 1.18 0.02 . 1 . . . A 136 VAL HG23 . 17736 1 1698 . 1 1 136 136 VAL C C 13 176.2 0.2 . 1 . . . A 136 VAL C . 17736 1 1699 . 1 1 136 136 VAL CA C 13 65.4 0.2 . 1 . . . A 136 VAL CA . 17736 1 1700 . 1 1 136 136 VAL CB C 13 32.2 0.2 . 1 . . . A 136 VAL CB . 17736 1 1701 . 1 1 136 136 VAL CG1 C 13 20.8 0.2 . 1 . . . A 136 VAL CG1 . 17736 1 1702 . 1 1 136 136 VAL CG2 C 13 23.6 0.2 . 1 . . . A 136 VAL CG2 . 17736 1 1703 . 1 1 136 136 VAL N N 15 123.2 0.2 . 1 . . . A 136 VAL N . 17736 1 1704 . 1 1 137 137 ALA H H 1 8.55 0.02 . 1 . . . A 137 ALA H . 17736 1 1705 . 1 1 137 137 ALA HA H 1 4.22 0.02 . 1 . . . A 137 ALA HA . 17736 1 1706 . 1 1 137 137 ALA HB1 H 1 1.47 0.02 . 1 . . . A 137 ALA HB1 . 17736 1 1707 . 1 1 137 137 ALA HB2 H 1 1.47 0.02 . 1 . . . A 137 ALA HB2 . 17736 1 1708 . 1 1 137 137 ALA HB3 H 1 1.47 0.02 . 1 . . . A 137 ALA HB3 . 17736 1 1709 . 1 1 137 137 ALA C C 13 181.6 0.2 . 1 . . . A 137 ALA C . 17736 1 1710 . 1 1 137 137 ALA CA C 13 55.3 0.2 . 1 . . . A 137 ALA CA . 17736 1 1711 . 1 1 137 137 ALA CB C 13 18.0 0.2 . 1 . . . A 137 ALA CB . 17736 1 1712 . 1 1 137 137 ALA N N 15 124.6 0.2 . 1 . . . A 137 ALA N . 17736 1 1713 . 1 1 138 138 GLN H H 1 8.21 0.02 . 1 . . . A 138 GLN H . 17736 1 1714 . 1 1 138 138 GLN HA H 1 4.12 0.02 . 1 . . . A 138 GLN HA . 17736 1 1715 . 1 1 138 138 GLN HB2 H 1 2.31 0.02 . 2 . . . A 138 GLN HB2 . 17736 1 1716 . 1 1 138 138 GLN HB3 H 1 2.31 0.02 . 2 . . . A 138 GLN HB3 . 17736 1 1717 . 1 1 138 138 GLN HG2 H 1 2.43 0.02 . 2 . . . A 138 GLN HG2 . 17736 1 1718 . 1 1 138 138 GLN HG3 H 1 2.84 0.02 . 2 . . . A 138 GLN HG3 . 17736 1 1719 . 1 1 138 138 GLN HE21 H 1 7.01 0.02 . 1 . . . A 138 GLN HE21 . 17736 1 1720 . 1 1 138 138 GLN HE22 H 1 7.83 0.02 . 1 . . . A 138 GLN HE22 . 17736 1 1721 . 1 1 138 138 GLN C C 13 178.0 0.2 . 1 . . . A 138 GLN C . 17736 1 1722 . 1 1 138 138 GLN CA C 13 59.1 0.2 . 1 . . . A 138 GLN CA . 17736 1 1723 . 1 1 138 138 GLN CB C 13 29.7 0.2 . 1 . . . A 138 GLN CB . 17736 1 1724 . 1 1 138 138 GLN CG C 13 35.2 0.2 . 1 . . . A 138 GLN CG . 17736 1 1725 . 1 1 138 138 GLN CD C 13 179.2 0.2 . 1 . . . A 138 GLN CD . 17736 1 1726 . 1 1 138 138 GLN N N 15 118.0 0.2 . 1 . . . A 138 GLN N . 17736 1 1727 . 1 1 138 138 GLN NE2 N 15 112.1 0.2 . 1 . . . A 138 GLN NE2 . 17736 1 1728 . 1 1 139 139 LEU H H 1 6.74 0.02 . 1 . . . A 139 LEU H . 17736 1 1729 . 1 1 139 139 LEU HA H 1 2.72 0.02 . 1 . . . A 139 LEU HA . 17736 1 1730 . 1 1 139 139 LEU HB2 H 1 1.03 0.02 . 2 . . . A 139 LEU HB2 . 17736 1 1731 . 1 1 139 139 LEU HB3 H 1 1.84 0.02 . 2 . . . A 139 LEU HB3 . 17736 1 1732 . 1 1 139 139 LEU HG H 1 1.22 0.02 . 1 . . . A 139 LEU HG . 17736 1 1733 . 1 1 139 139 LEU HD11 H 1 0.66 0.02 . 1 . . . A 139 LEU HD11 . 17736 1 1734 . 1 1 139 139 LEU HD12 H 1 0.66 0.02 . 1 . . . A 139 LEU HD12 . 17736 1 1735 . 1 1 139 139 LEU HD13 H 1 0.66 0.02 . 1 . . . A 139 LEU HD13 . 17736 1 1736 . 1 1 139 139 LEU HD21 H 1 0.68 0.02 . 1 . . . A 139 LEU HD21 . 17736 1 1737 . 1 1 139 139 LEU HD22 H 1 0.68 0.02 . 1 . . . A 139 LEU HD22 . 17736 1 1738 . 1 1 139 139 LEU HD23 H 1 0.68 0.02 . 1 . . . A 139 LEU HD23 . 17736 1 1739 . 1 1 139 139 LEU C C 13 178.1 0.2 . 1 . . . A 139 LEU C . 17736 1 1740 . 1 1 139 139 LEU CA C 13 58.5 0.2 . 1 . . . A 139 LEU CA . 17736 1 1741 . 1 1 139 139 LEU CB C 13 42.0 0.2 . 1 . . . A 139 LEU CB . 17736 1 1742 . 1 1 139 139 LEU CG C 13 27.5 0.2 . 1 . . . A 139 LEU CG . 17736 1 1743 . 1 1 139 139 LEU CD1 C 13 26.4 0.2 . 1 . . . A 139 LEU CD1 . 17736 1 1744 . 1 1 139 139 LEU CD2 C 13 25.5 0.2 . 1 . . . A 139 LEU CD2 . 17736 1 1745 . 1 1 139 139 LEU N N 15 123.7 0.2 . 1 . . . A 139 LEU N . 17736 1 1746 . 1 1 140 140 GLU H H 1 8.62 0.02 . 1 . . . A 140 GLU H . 17736 1 1747 . 1 1 140 140 GLU HA H 1 3.80 0.02 . 1 . . . A 140 GLU HA . 17736 1 1748 . 1 1 140 140 GLU HB2 H 1 1.94 0.02 . 2 . . . A 140 GLU HB2 . 17736 1 1749 . 1 1 140 140 GLU HB3 H 1 2.06 0.02 . 2 . . . A 140 GLU HB3 . 17736 1 1750 . 1 1 140 140 GLU HG2 H 1 2.11 0.02 . 2 . . . A 140 GLU HG2 . 17736 1 1751 . 1 1 140 140 GLU HG3 H 1 2.44 0.02 . 2 . . . A 140 GLU HG3 . 17736 1 1752 . 1 1 140 140 GLU C C 13 179.3 0.2 . 1 . . . A 140 GLU C . 17736 1 1753 . 1 1 140 140 GLU CA C 13 59.8 0.2 . 1 . . . A 140 GLU CA . 17736 1 1754 . 1 1 140 140 GLU CB C 13 29.2 0.2 . 1 . . . A 140 GLU CB . 17736 1 1755 . 1 1 140 140 GLU CG C 13 37.1 0.2 . 1 . . . A 140 GLU CG . 17736 1 1756 . 1 1 140 140 GLU N N 15 118.5 0.2 . 1 . . . A 140 GLU N . 17736 1 1757 . 1 1 141 141 ALA H H 1 8.21 0.02 . 1 . . . A 141 ALA H . 17736 1 1758 . 1 1 141 141 ALA HA H 1 4.10 0.02 . 1 . . . A 141 ALA HA . 17736 1 1759 . 1 1 141 141 ALA HB1 H 1 1.47 0.02 . 1 . . . A 141 ALA HB1 . 17736 1 1760 . 1 1 141 141 ALA HB2 H 1 1.47 0.02 . 1 . . . A 141 ALA HB2 . 17736 1 1761 . 1 1 141 141 ALA HB3 H 1 1.47 0.02 . 1 . . . A 141 ALA HB3 . 17736 1 1762 . 1 1 141 141 ALA C C 13 179.8 0.2 . 1 . . . A 141 ALA C . 17736 1 1763 . 1 1 141 141 ALA CA C 13 55.1 0.2 . 1 . . . A 141 ALA CA . 17736 1 1764 . 1 1 141 141 ALA CB C 13 18.1 0.2 . 1 . . . A 141 ALA CB . 17736 1 1765 . 1 1 141 141 ALA N N 15 121.5 0.2 . 1 . . . A 141 ALA N . 17736 1 1766 . 1 1 142 142 THR H H 1 7.51 0.02 . 1 . . . A 142 THR H . 17736 1 1767 . 1 1 142 142 THR HA H 1 3.91 0.02 . 1 . . . A 142 THR HA . 17736 1 1768 . 1 1 142 142 THR HB H 1 4.20 0.02 . 1 . . . A 142 THR HB . 17736 1 1769 . 1 1 142 142 THR HG21 H 1 0.98 0.02 . 1 . . . A 142 THR HG21 . 17736 1 1770 . 1 1 142 142 THR HG22 H 1 0.98 0.02 . 1 . . . A 142 THR HG22 . 17736 1 1771 . 1 1 142 142 THR HG23 H 1 0.98 0.02 . 1 . . . A 142 THR HG23 . 17736 1 1772 . 1 1 142 142 THR C C 13 176.7 0.2 . 1 . . . A 142 THR C . 17736 1 1773 . 1 1 142 142 THR CA C 13 67.4 0.2 . 1 . . . A 142 THR CA . 17736 1 1774 . 1 1 142 142 THR CB C 13 68.9 0.2 . 1 . . . A 142 THR CB . 17736 1 1775 . 1 1 142 142 THR CG2 C 13 21.0 0.2 . 1 . . . A 142 THR CG2 . 17736 1 1776 . 1 1 142 142 THR N N 15 116.0 0.2 . 1 . . . A 142 THR N . 17736 1 1777 . 1 1 143 143 ILE H H 1 7.82 0.02 . 1 . . . A 143 ILE H . 17736 1 1778 . 1 1 143 143 ILE HA H 1 3.95 0.02 . 1 . . . A 143 ILE HA . 17736 1 1779 . 1 1 143 143 ILE HB H 1 2.19 0.02 . 1 . . . A 143 ILE HB . 17736 1 1780 . 1 1 143 143 ILE HG12 H 1 1.51 0.02 . 2 . . . A 143 ILE HG12 . 17736 1 1781 . 1 1 143 143 ILE HG13 H 1 1.62 0.02 . 2 . . . A 143 ILE HG13 . 17736 1 1782 . 1 1 143 143 ILE HG21 H 1 1.03 0.02 . 1 . . . A 143 ILE HG21 . 17736 1 1783 . 1 1 143 143 ILE HG22 H 1 1.03 0.02 . 1 . . . A 143 ILE HG22 . 17736 1 1784 . 1 1 143 143 ILE HG23 H 1 1.03 0.02 . 1 . . . A 143 ILE HG23 . 17736 1 1785 . 1 1 143 143 ILE HD11 H 1 0.95 0.02 . 1 . . . A 143 ILE HD11 . 17736 1 1786 . 1 1 143 143 ILE HD12 H 1 0.95 0.02 . 1 . . . A 143 ILE HD12 . 17736 1 1787 . 1 1 143 143 ILE HD13 H 1 0.95 0.02 . 1 . . . A 143 ILE HD13 . 17736 1 1788 . 1 1 143 143 ILE C C 13 180.9 0.2 . 1 . . . A 143 ILE C . 17736 1 1789 . 1 1 143 143 ILE CA C 13 63.7 0.2 . 1 . . . A 143 ILE CA . 17736 1 1790 . 1 1 143 143 ILE CB C 13 36.8 0.2 . 1 . . . A 143 ILE CB . 17736 1 1791 . 1 1 143 143 ILE CG1 C 13 27.8 0.2 . 1 . . . A 143 ILE CG1 . 17736 1 1792 . 1 1 143 143 ILE CG2 C 13 17.0 0.2 . 1 . . . A 143 ILE CG2 . 17736 1 1793 . 1 1 143 143 ILE CD1 C 13 11.2 0.2 . 1 . . . A 143 ILE CD1 . 17736 1 1794 . 1 1 143 143 ILE N N 15 121.0 0.2 . 1 . . . A 143 ILE N . 17736 1 1795 . 1 1 144 144 GLN H H 1 8.52 0.02 . 1 . . . A 144 GLN H . 17736 1 1796 . 1 1 144 144 GLN HA H 1 4.13 0.02 . 1 . . . A 144 GLN HA . 17736 1 1797 . 1 1 144 144 GLN HB2 H 1 2.22 0.02 . 2 . . . A 144 GLN HB2 . 17736 1 1798 . 1 1 144 144 GLN HB3 H 1 2.22 0.02 . 2 . . . A 144 GLN HB3 . 17736 1 1799 . 1 1 144 144 GLN HG2 H 1 2.51 0.02 . 2 . . . A 144 GLN HG2 . 17736 1 1800 . 1 1 144 144 GLN HG3 H 1 2.51 0.02 . 2 . . . A 144 GLN HG3 . 17736 1 1801 . 1 1 144 144 GLN HE21 H 1 6.81 0.02 . 1 . . . A 144 GLN HE21 . 17736 1 1802 . 1 1 144 144 GLN HE22 H 1 7.49 0.02 . 1 . . . A 144 GLN HE22 . 17736 1 1803 . 1 1 144 144 GLN C C 13 177.1 0.2 . 1 . . . A 144 GLN C . 17736 1 1804 . 1 1 144 144 GLN CA C 13 58.6 0.2 . 1 . . . A 144 GLN CA . 17736 1 1805 . 1 1 144 144 GLN CB C 13 28.3 0.2 . 1 . . . A 144 GLN CB . 17736 1 1806 . 1 1 144 144 GLN CG C 13 34.0 0.2 . 1 . . . A 144 GLN CG . 17736 1 1807 . 1 1 144 144 GLN CD C 13 180.0 0.2 . 1 . . . A 144 GLN CD . 17736 1 1808 . 1 1 144 144 GLN N N 15 121.6 0.2 . 1 . . . A 144 GLN N . 17736 1 1809 . 1 1 144 144 GLN NE2 N 15 111.6 0.2 . 1 . . . A 144 GLN NE2 . 17736 1 1810 . 1 1 145 145 MET H H 1 7.71 0.02 . 1 . . . A 145 MET H . 17736 1 1811 . 1 1 145 145 MET HA H 1 4.46 0.02 . 1 . . . A 145 MET HA . 17736 1 1812 . 1 1 145 145 MET HB2 H 1 2.30 0.02 . 2 . . . A 145 MET HB2 . 17736 1 1813 . 1 1 145 145 MET HB3 H 1 2.30 0.02 . 2 . . . A 145 MET HB3 . 17736 1 1814 . 1 1 145 145 MET HG2 H 1 2.74 0.02 . 2 . . . A 145 MET HG2 . 17736 1 1815 . 1 1 145 145 MET HG3 H 1 2.82 0.02 . 2 . . . A 145 MET HG3 . 17736 1 1816 . 1 1 145 145 MET C C 13 176.4 0.2 . 1 . . . A 145 MET C . 17736 1 1817 . 1 1 145 145 MET CA C 13 56.3 0.2 . 1 . . . A 145 MET CA . 17736 1 1818 . 1 1 145 145 MET CB C 13 33.0 0.2 . 1 . . . A 145 MET CB . 17736 1 1819 . 1 1 145 145 MET CG C 13 32.2 0.2 . 1 . . . A 145 MET CG . 17736 1 1820 . 1 1 145 145 MET N N 15 116.4 0.2 . 1 . . . A 145 MET N . 17736 1 1821 . 1 1 146 146 GLY H H 1 7.86 0.02 . 1 . . . A 146 GLY H . 17736 1 1822 . 1 1 146 146 GLY HA2 H 1 4.03 0.02 . 2 . . . A 146 GLY HA2 . 17736 1 1823 . 1 1 146 146 GLY HA3 H 1 4.30 0.02 . 2 . . . A 146 GLY HA3 . 17736 1 1824 . 1 1 146 146 GLY C C 13 175.6 0.2 . 1 . . . A 146 GLY C . 17736 1 1825 . 1 1 146 146 GLY CA C 13 46.0 0.2 . 1 . . . A 146 GLY CA . 17736 1 1826 . 1 1 146 146 GLY N N 15 106.1 0.2 . 1 . . . A 146 GLY N . 17736 1 1827 . 1 1 147 147 PHE H H 1 7.35 0.02 . 1 . . . A 147 PHE H . 17736 1 1828 . 1 1 147 147 PHE HA H 1 4.27 0.02 . 1 . . . A 147 PHE HA . 17736 1 1829 . 1 1 147 147 PHE HB2 H 1 2.40 0.02 . 2 . . . A 147 PHE HB2 . 17736 1 1830 . 1 1 147 147 PHE HB3 H 1 3.49 0.02 . 2 . . . A 147 PHE HB3 . 17736 1 1831 . 1 1 147 147 PHE HD1 H 1 7.14 0.02 . 3 . . . A 147 PHE HD1 . 17736 1 1832 . 1 1 147 147 PHE HD2 H 1 7.14 0.02 . 3 . . . A 147 PHE HD2 . 17736 1 1833 . 1 1 147 147 PHE C C 13 175.9 0.2 . 1 . . . A 147 PHE C . 17736 1 1834 . 1 1 147 147 PHE CA C 13 61.6 0.2 . 1 . . . A 147 PHE CA . 17736 1 1835 . 1 1 147 147 PHE CB C 13 42.8 0.2 . 1 . . . A 147 PHE CB . 17736 1 1836 . 1 1 147 147 PHE CD1 C 13 131.4 0.2 . 3 . . . A 147 PHE CD1 . 17736 1 1837 . 1 1 147 147 PHE CD2 C 13 131.4 0.2 . 3 . . . A 147 PHE CD2 . 17736 1 1838 . 1 1 147 147 PHE N N 15 120.1 0.2 . 1 . . . A 147 PHE N . 17736 1 1839 . 1 1 148 148 LYS H H 1 8.82 0.02 . 1 . . . A 148 LYS H . 17736 1 1840 . 1 1 148 148 LYS HA H 1 3.30 0.02 . 1 . . . A 148 LYS HA . 17736 1 1841 . 1 1 148 148 LYS HB2 H 1 1.10 0.02 . 2 . . . A 148 LYS HB2 . 17736 1 1842 . 1 1 148 148 LYS HB3 H 1 1.41 0.02 . 2 . . . A 148 LYS HB3 . 17736 1 1843 . 1 1 148 148 LYS HG2 H 1 -0.32 0.02 . 2 . . . A 148 LYS HG2 . 17736 1 1844 . 1 1 148 148 LYS HG3 H 1 0.56 0.02 . 2 . . . A 148 LYS HG3 . 17736 1 1845 . 1 1 148 148 LYS HD2 H 1 0.98 0.02 . 2 . . . A 148 LYS HD2 . 17736 1 1846 . 1 1 148 148 LYS HD3 H 1 1.17 0.02 . 2 . . . A 148 LYS HD3 . 17736 1 1847 . 1 1 148 148 LYS HE2 H 1 2.48 0.02 . 2 . . . A 148 LYS HE2 . 17736 1 1848 . 1 1 148 148 LYS HE3 H 1 2.48 0.02 . 2 . . . A 148 LYS HE3 . 17736 1 1849 . 1 1 148 148 LYS C C 13 178.6 0.2 . 1 . . . A 148 LYS C . 17736 1 1850 . 1 1 148 148 LYS CA C 13 59.9 0.2 . 1 . . . A 148 LYS CA . 17736 1 1851 . 1 1 148 148 LYS CB C 13 32.5 0.2 . 1 . . . A 148 LYS CB . 17736 1 1852 . 1 1 148 148 LYS CG C 13 24.1 0.2 . 1 . . . A 148 LYS CG . 17736 1 1853 . 1 1 148 148 LYS CD C 13 29.6 0.2 . 1 . . . A 148 LYS CD . 17736 1 1854 . 1 1 148 148 LYS CE C 13 41.9 0.2 . 1 . . . A 148 LYS CE . 17736 1 1855 . 1 1 148 148 LYS N N 15 116.7 0.2 . 1 . . . A 148 LYS N . 17736 1 1856 . 1 1 149 149 GLU H H 1 8.64 0.02 . 1 . . . A 149 GLU H . 17736 1 1857 . 1 1 149 149 GLU HA H 1 3.77 0.02 . 1 . . . A 149 GLU HA . 17736 1 1858 . 1 1 149 149 GLU HB2 H 1 1.89 0.02 . 2 . . . A 149 GLU HB2 . 17736 1 1859 . 1 1 149 149 GLU HB3 H 1 2.05 0.02 . 2 . . . A 149 GLU HB3 . 17736 1 1860 . 1 1 149 149 GLU HG2 H 1 2.11 0.02 . 2 . . . A 149 GLU HG2 . 17736 1 1861 . 1 1 149 149 GLU HG3 H 1 2.43 0.02 . 2 . . . A 149 GLU HG3 . 17736 1 1862 . 1 1 149 149 GLU C C 13 178.4 0.2 . 1 . . . A 149 GLU C . 17736 1 1863 . 1 1 149 149 GLU CA C 13 60.3 0.2 . 1 . . . A 149 GLU CA . 17736 1 1864 . 1 1 149 149 GLU CB C 13 28.8 0.2 . 1 . . . A 149 GLU CB . 17736 1 1865 . 1 1 149 149 GLU CG C 13 37.1 0.2 . 1 . . . A 149 GLU CG . 17736 1 1866 . 1 1 149 149 GLU N N 15 120.5 0.2 . 1 . . . A 149 GLU N . 17736 1 1867 . 1 1 150 150 GLY H H 1 8.18 0.02 . 1 . . . A 150 GLY H . 17736 1 1868 . 1 1 150 150 GLY HA2 H 1 3.68 0.02 . 2 . . . A 150 GLY HA2 . 17736 1 1869 . 1 1 150 150 GLY HA3 H 1 3.80 0.02 . 2 . . . A 150 GLY HA3 . 17736 1 1870 . 1 1 150 150 GLY C C 13 175.5 0.2 . 1 . . . A 150 GLY C . 17736 1 1871 . 1 1 150 150 GLY CA C 13 47.5 0.2 . 1 . . . A 150 GLY CA . 17736 1 1872 . 1 1 150 150 GLY N N 15 106.3 0.2 . 1 . . . A 150 GLY N . 17736 1 1873 . 1 1 151 151 ILE H H 1 8.32 0.02 . 1 . . . A 151 ILE H . 17736 1 1874 . 1 1 151 151 ILE HA H 1 3.98 0.02 . 1 . . . A 151 ILE HA . 17736 1 1875 . 1 1 151 151 ILE HB H 1 1.21 0.02 . 1 . . . A 151 ILE HB . 17736 1 1876 . 1 1 151 151 ILE HG12 H 1 1.01 0.02 . 2 . . . A 151 ILE HG12 . 17736 1 1877 . 1 1 151 151 ILE HG13 H 1 1.23 0.02 . 2 . . . A 151 ILE HG13 . 17736 1 1878 . 1 1 151 151 ILE HG21 H 1 0.71 0.02 . 1 . . . A 151 ILE HG21 . 17736 1 1879 . 1 1 151 151 ILE HG22 H 1 0.71 0.02 . 1 . . . A 151 ILE HG22 . 17736 1 1880 . 1 1 151 151 ILE HG23 H 1 0.71 0.02 . 1 . . . A 151 ILE HG23 . 17736 1 1881 . 1 1 151 151 ILE HD11 H 1 0.75 0.02 . 1 . . . A 151 ILE HD11 . 17736 1 1882 . 1 1 151 151 ILE HD12 H 1 0.75 0.02 . 1 . . . A 151 ILE HD12 . 17736 1 1883 . 1 1 151 151 ILE HD13 H 1 0.75 0.02 . 1 . . . A 151 ILE HD13 . 17736 1 1884 . 1 1 151 151 ILE C C 13 177.6 0.2 . 1 . . . A 151 ILE C . 17736 1 1885 . 1 1 151 151 ILE CA C 13 62.2 0.2 . 1 . . . A 151 ILE CA . 17736 1 1886 . 1 1 151 151 ILE CB C 13 37.7 0.2 . 1 . . . A 151 ILE CB . 17736 1 1887 . 1 1 151 151 ILE CG1 C 13 29.6 0.2 . 1 . . . A 151 ILE CG1 . 17736 1 1888 . 1 1 151 151 ILE CG2 C 13 18.6 0.2 . 1 . . . A 151 ILE CG2 . 17736 1 1889 . 1 1 151 151 ILE CD1 C 13 13.7 0.2 . 1 . . . A 151 ILE CD1 . 17736 1 1890 . 1 1 151 151 ILE N N 15 122.0 0.2 . 1 . . . A 151 ILE N . 17736 1 1891 . 1 1 152 152 THR H H 1 7.51 0.02 . 1 . . . A 152 THR H . 17736 1 1892 . 1 1 152 152 THR HA H 1 4.16 0.02 . 1 . . . A 152 THR HA . 17736 1 1893 . 1 1 152 152 THR HB H 1 4.22 0.02 . 1 . . . A 152 THR HB . 17736 1 1894 . 1 1 152 152 THR HG21 H 1 1.19 0.02 . 1 . . . A 152 THR HG21 . 17736 1 1895 . 1 1 152 152 THR HG22 H 1 1.19 0.02 . 1 . . . A 152 THR HG22 . 17736 1 1896 . 1 1 152 152 THR HG23 H 1 1.19 0.02 . 1 . . . A 152 THR HG23 . 17736 1 1897 . 1 1 152 152 THR C C 13 178.0 0.2 . 1 . . . A 152 THR C . 17736 1 1898 . 1 1 152 152 THR CA C 13 66.5 0.2 . 1 . . . A 152 THR CA . 17736 1 1899 . 1 1 152 152 THR CB C 13 68.8 0.2 . 1 . . . A 152 THR CB . 17736 1 1900 . 1 1 152 152 THR CG2 C 13 21.3 0.2 . 1 . . . A 152 THR CG2 . 17736 1 1901 . 1 1 152 152 THR N N 15 116.3 0.2 . 1 . . . A 152 THR N . 17736 1 1902 . 1 1 153 153 MET H H 1 7.91 0.02 . 1 . . . A 153 MET H . 17736 1 1903 . 1 1 153 153 MET HA H 1 4.21 0.02 . 1 . . . A 153 MET HA . 17736 1 1904 . 1 1 153 153 MET HB2 H 1 2.28 0.02 . 2 . . . A 153 MET HB2 . 17736 1 1905 . 1 1 153 153 MET HB3 H 1 2.42 0.02 . 2 . . . A 153 MET HB3 . 17736 1 1906 . 1 1 153 153 MET HG2 H 1 2.66 0.02 . 2 . . . A 153 MET HG2 . 17736 1 1907 . 1 1 153 153 MET HG3 H 1 2.88 0.02 . 2 . . . A 153 MET HG3 . 17736 1 1908 . 1 1 153 153 MET C C 13 178.7 0.2 . 1 . . . A 153 MET C . 17736 1 1909 . 1 1 153 153 MET CA C 13 59.3 0.2 . 1 . . . A 153 MET CA . 17736 1 1910 . 1 1 153 153 MET CB C 13 32.9 0.2 . 1 . . . A 153 MET CB . 17736 1 1911 . 1 1 153 153 MET CG C 13 33.0 0.2 . 1 . . . A 153 MET CG . 17736 1 1912 . 1 1 153 153 MET N N 15 122.0 0.2 . 1 . . . A 153 MET N . 17736 1 1913 . 1 1 154 154 ALA H H 1 8.28 0.02 . 1 . . . A 154 ALA H . 17736 1 1914 . 1 1 154 154 ALA HA H 1 4.36 0.02 . 1 . . . A 154 ALA HA . 17736 1 1915 . 1 1 154 154 ALA HB1 H 1 1.43 0.02 . 1 . . . A 154 ALA HB1 . 17736 1 1916 . 1 1 154 154 ALA HB2 H 1 1.43 0.02 . 1 . . . A 154 ALA HB2 . 17736 1 1917 . 1 1 154 154 ALA HB3 H 1 1.43 0.02 . 1 . . . A 154 ALA HB3 . 17736 1 1918 . 1 1 154 154 ALA C C 13 180.2 0.2 . 1 . . . A 154 ALA C . 17736 1 1919 . 1 1 154 154 ALA CA C 13 55.7 0.2 . 1 . . . A 154 ALA CA . 17736 1 1920 . 1 1 154 154 ALA CB C 13 18.3 0.2 . 1 . . . A 154 ALA CB . 17736 1 1921 . 1 1 154 154 ALA N N 15 123.2 0.2 . 1 . . . A 154 ALA N . 17736 1 1922 . 1 1 155 155 MET H H 1 8.04 0.02 . 1 . . . A 155 MET H . 17736 1 1923 . 1 1 155 155 MET HA H 1 4.18 0.02 . 1 . . . A 155 MET HA . 17736 1 1924 . 1 1 155 155 MET HB2 H 1 2.17 0.02 . 2 . . . A 155 MET HB2 . 17736 1 1925 . 1 1 155 155 MET HB3 H 1 2.17 0.02 . 2 . . . A 155 MET HB3 . 17736 1 1926 . 1 1 155 155 MET HG2 H 1 2.75 0.02 . 2 . . . A 155 MET HG2 . 17736 1 1927 . 1 1 155 155 MET HG3 H 1 3.46 0.02 . 2 . . . A 155 MET HG3 . 17736 1 1928 . 1 1 155 155 MET C C 13 178.2 0.2 . 1 . . . A 155 MET C . 17736 1 1929 . 1 1 155 155 MET CA C 13 60.8 0.2 . 1 . . . A 155 MET CA . 17736 1 1930 . 1 1 155 155 MET CB C 13 32.3 0.2 . 1 . . . A 155 MET CB . 17736 1 1931 . 1 1 155 155 MET CG C 13 34.0 0.2 . 1 . . . A 155 MET CG . 17736 1 1932 . 1 1 155 155 MET N N 15 114.6 0.2 . 1 . . . A 155 MET N . 17736 1 1933 . 1 1 156 156 GLU H H 1 7.44 0.02 . 1 . . . A 156 GLU H . 17736 1 1934 . 1 1 156 156 GLU HA H 1 4.32 0.02 . 1 . . . A 156 GLU HA . 17736 1 1935 . 1 1 156 156 GLU HB2 H 1 2.19 0.02 . 2 . . . A 156 GLU HB2 . 17736 1 1936 . 1 1 156 156 GLU HB3 H 1 2.45 0.02 . 2 . . . A 156 GLU HB3 . 17736 1 1937 . 1 1 156 156 GLU HG2 H 1 2.19 0.02 . 2 . . . A 156 GLU HG2 . 17736 1 1938 . 1 1 156 156 GLU HG3 H 1 2.72 0.02 . 2 . . . A 156 GLU HG3 . 17736 1 1939 . 1 1 156 156 GLU C C 13 179.9 0.2 . 1 . . . A 156 GLU C . 17736 1 1940 . 1 1 156 156 GLU CA C 13 59.7 0.2 . 1 . . . A 156 GLU CA . 17736 1 1941 . 1 1 156 156 GLU CB C 13 28.9 0.2 . 1 . . . A 156 GLU CB . 17736 1 1942 . 1 1 156 156 GLU CG C 13 37.3 0.2 . 1 . . . A 156 GLU CG . 17736 1 1943 . 1 1 156 156 GLU N N 15 117.7 0.2 . 1 . . . A 156 GLU N . 17736 1 1944 . 1 1 157 157 ASN H H 1 8.18 0.02 . 1 . . . A 157 ASN H . 17736 1 1945 . 1 1 157 157 ASN HA H 1 4.57 0.02 . 1 . . . A 157 ASN HA . 17736 1 1946 . 1 1 157 157 ASN HB2 H 1 3.15 0.02 . 2 . . . A 157 ASN HB2 . 17736 1 1947 . 1 1 157 157 ASN HB3 H 1 4.42 0.02 . 2 . . . A 157 ASN HB3 . 17736 1 1948 . 1 1 157 157 ASN HD21 H 1 6.11 0.02 . 1 . . . A 157 ASN HD21 . 17736 1 1949 . 1 1 157 157 ASN HD22 H 1 8.35 0.02 . 1 . . . A 157 ASN HD22 . 17736 1 1950 . 1 1 157 157 ASN C C 13 179.3 0.2 . 1 . . . A 157 ASN C . 17736 1 1951 . 1 1 157 157 ASN CA C 13 55.5 0.2 . 1 . . . A 157 ASN CA . 17736 1 1952 . 1 1 157 157 ASN CB C 13 38.4 0.2 . 1 . . . A 157 ASN CB . 17736 1 1953 . 1 1 157 157 ASN CG C 13 176.1 0.2 . 1 . . . A 157 ASN CG . 17736 1 1954 . 1 1 157 157 ASN N N 15 118.9 0.2 . 1 . . . A 157 ASN N . 17736 1 1955 . 1 1 157 157 ASN ND2 N 15 112.5 0.2 . 1 . . . A 157 ASN ND2 . 17736 1 1956 . 1 1 158 158 LEU H H 1 7.86 0.02 . 1 . . . A 158 LEU H . 17736 1 1957 . 1 1 158 158 LEU HA H 1 3.71 0.02 . 1 . . . A 158 LEU HA . 17736 1 1958 . 1 1 158 158 LEU HB2 H 1 1.51 0.02 . 2 . . . A 158 LEU HB2 . 17736 1 1959 . 1 1 158 158 LEU HB3 H 1 1.51 0.02 . 2 . . . A 158 LEU HB3 . 17736 1 1960 . 1 1 158 158 LEU HG H 1 0.69 0.02 . 1 . . . A 158 LEU HG . 17736 1 1961 . 1 1 158 158 LEU HD11 H 1 -0.31 0.02 . 1 . . . A 158 LEU HD11 . 17736 1 1962 . 1 1 158 158 LEU HD12 H 1 -0.31 0.02 . 1 . . . A 158 LEU HD12 . 17736 1 1963 . 1 1 158 158 LEU HD13 H 1 -0.31 0.02 . 1 . . . A 158 LEU HD13 . 17736 1 1964 . 1 1 158 158 LEU HD21 H 1 -0.96 0.02 . 1 . . . A 158 LEU HD21 . 17736 1 1965 . 1 1 158 158 LEU HD22 H 1 -0.96 0.02 . 1 . . . A 158 LEU HD22 . 17736 1 1966 . 1 1 158 158 LEU HD23 H 1 -0.96 0.02 . 1 . . . A 158 LEU HD23 . 17736 1 1967 . 1 1 158 158 LEU C C 13 177.9 0.2 . 1 . . . A 158 LEU C . 17736 1 1968 . 1 1 158 158 LEU CA C 13 57.8 0.2 . 1 . . . A 158 LEU CA . 17736 1 1969 . 1 1 158 158 LEU CB C 13 38.0 0.2 . 1 . . . A 158 LEU CB . 17736 1 1970 . 1 1 158 158 LEU CD1 C 13 22.3 0.2 . 1 . . . A 158 LEU CD1 . 17736 1 1971 . 1 1 158 158 LEU CD2 C 13 23.8 0.2 . 1 . . . A 158 LEU CD2 . 17736 1 1972 . 1 1 158 158 LEU N N 15 123.8 0.2 . 1 . . . A 158 LEU N . 17736 1 1973 . 1 1 159 159 ASP H H 1 8.19 0.02 . 1 . . . A 159 ASP H . 17736 1 1974 . 1 1 159 159 ASP HA H 1 4.38 0.02 . 1 . . . A 159 ASP HA . 17736 1 1975 . 1 1 159 159 ASP HB2 H 1 2.72 0.02 . 2 . . . A 159 ASP HB2 . 17736 1 1976 . 1 1 159 159 ASP HB3 H 1 3.21 0.02 . 2 . . . A 159 ASP HB3 . 17736 1 1977 . 1 1 159 159 ASP C C 13 179.7 0.2 . 1 . . . A 159 ASP C . 17736 1 1978 . 1 1 159 159 ASP CA C 13 58.0 0.2 . 1 . . . A 159 ASP CA . 17736 1 1979 . 1 1 159 159 ASP CB C 13 40.8 0.2 . 1 . . . A 159 ASP CB . 17736 1 1980 . 1 1 159 159 ASP N N 15 119.0 0.2 . 1 . . . A 159 ASP N . 17736 1 1981 . 1 1 160 160 GLU H H 1 7.41 0.02 . 1 . . . A 160 GLU H . 17736 1 1982 . 1 1 160 160 GLU HA H 1 4.12 0.02 . 1 . . . A 160 GLU HA . 17736 1 1983 . 1 1 160 160 GLU HB2 H 1 2.21 0.02 . 2 . . . A 160 GLU HB2 . 17736 1 1984 . 1 1 160 160 GLU HB3 H 1 2.21 0.02 . 2 . . . A 160 GLU HB3 . 17736 1 1985 . 1 1 160 160 GLU HG2 H 1 2.33 0.02 . 2 . . . A 160 GLU HG2 . 17736 1 1986 . 1 1 160 160 GLU HG3 H 1 2.49 0.02 . 2 . . . A 160 GLU HG3 . 17736 1 1987 . 1 1 160 160 GLU C C 13 178.8 0.2 . 1 . . . A 160 GLU C . 17736 1 1988 . 1 1 160 160 GLU CA C 13 58.9 0.2 . 1 . . . A 160 GLU CA . 17736 1 1989 . 1 1 160 160 GLU CB C 13 29.8 0.2 . 1 . . . A 160 GLU CB . 17736 1 1990 . 1 1 160 160 GLU CG C 13 36.3 0.2 . 1 . . . A 160 GLU CG . 17736 1 1991 . 1 1 160 160 GLU N N 15 116.8 0.2 . 1 . . . A 160 GLU N . 17736 1 1992 . 1 1 161 161 LEU H H 1 7.94 0.02 . 1 . . . A 161 LEU H . 17736 1 1993 . 1 1 161 161 LEU HA H 1 4.16 0.02 . 1 . . . A 161 LEU HA . 17736 1 1994 . 1 1 161 161 LEU HB2 H 1 1.74 0.02 . 2 . . . A 161 LEU HB2 . 17736 1 1995 . 1 1 161 161 LEU HB3 H 1 1.74 0.02 . 2 . . . A 161 LEU HB3 . 17736 1 1996 . 1 1 161 161 LEU HG H 1 1.70 0.02 . 1 . . . A 161 LEU HG . 17736 1 1997 . 1 1 161 161 LEU HD11 H 1 0.95 0.02 . 1 . . . A 161 LEU HD11 . 17736 1 1998 . 1 1 161 161 LEU HD12 H 1 0.95 0.02 . 1 . . . A 161 LEU HD12 . 17736 1 1999 . 1 1 161 161 LEU HD13 H 1 0.95 0.02 . 1 . . . A 161 LEU HD13 . 17736 1 2000 . 1 1 161 161 LEU HD21 H 1 0.82 0.02 . 1 . . . A 161 LEU HD21 . 17736 1 2001 . 1 1 161 161 LEU HD22 H 1 0.82 0.02 . 1 . . . A 161 LEU HD22 . 17736 1 2002 . 1 1 161 161 LEU HD23 H 1 0.82 0.02 . 1 . . . A 161 LEU HD23 . 17736 1 2003 . 1 1 161 161 LEU C C 13 180.2 0.2 . 1 . . . A 161 LEU C . 17736 1 2004 . 1 1 161 161 LEU CA C 13 57.9 0.2 . 1 . . . A 161 LEU CA . 17736 1 2005 . 1 1 161 161 LEU CB C 13 42.6 0.2 . 1 . . . A 161 LEU CB . 17736 1 2006 . 1 1 161 161 LEU CG C 13 27.1 0.2 . 1 . . . A 161 LEU CG . 17736 1 2007 . 1 1 161 161 LEU CD1 C 13 25.7 0.2 . 1 . . . A 161 LEU CD1 . 17736 1 2008 . 1 1 161 161 LEU CD2 C 13 25.4 0.2 . 1 . . . A 161 LEU CD2 . 17736 1 2009 . 1 1 161 161 LEU N N 15 122.5 0.2 . 1 . . . A 161 LEU N . 17736 1 2010 . 1 1 162 162 LEU H H 1 8.46 0.02 . 1 . . . A 162 LEU H . 17736 1 2011 . 1 1 162 162 LEU HA H 1 4.05 0.02 . 1 . . . A 162 LEU HA . 17736 1 2012 . 1 1 162 162 LEU HB2 H 1 1.38 0.02 . 2 . . . A 162 LEU HB2 . 17736 1 2013 . 1 1 162 162 LEU HB3 H 1 1.97 0.02 . 2 . . . A 162 LEU HB3 . 17736 1 2014 . 1 1 162 162 LEU HG H 1 1.75 0.02 . 1 . . . A 162 LEU HG . 17736 1 2015 . 1 1 162 162 LEU HD11 H 1 0.68 0.02 . 1 . . . A 162 LEU HD11 . 17736 1 2016 . 1 1 162 162 LEU HD12 H 1 0.68 0.02 . 1 . . . A 162 LEU HD12 . 17736 1 2017 . 1 1 162 162 LEU HD13 H 1 0.68 0.02 . 1 . . . A 162 LEU HD13 . 17736 1 2018 . 1 1 162 162 LEU HD21 H 1 0.53 0.02 . 1 . . . A 162 LEU HD21 . 17736 1 2019 . 1 1 162 162 LEU HD22 H 1 0.53 0.02 . 1 . . . A 162 LEU HD22 . 17736 1 2020 . 1 1 162 162 LEU HD23 H 1 0.53 0.02 . 1 . . . A 162 LEU HD23 . 17736 1 2021 . 1 1 162 162 LEU C C 13 179.2 0.2 . 1 . . . A 162 LEU C . 17736 1 2022 . 1 1 162 162 LEU CA C 13 57.1 0.2 . 1 . . . A 162 LEU CA . 17736 1 2023 . 1 1 162 162 LEU CB C 13 41.4 0.2 . 1 . . . A 162 LEU CB . 17736 1 2024 . 1 1 162 162 LEU CG C 13 26.1 0.2 . 1 . . . A 162 LEU CG . 17736 1 2025 . 1 1 162 162 LEU CD1 C 13 26.4 0.2 . 1 . . . A 162 LEU CD1 . 17736 1 2026 . 1 1 162 162 LEU CD2 C 13 21.9 0.2 . 1 . . . A 162 LEU CD2 . 17736 1 2027 . 1 1 162 162 LEU N N 15 117.8 0.2 . 1 . . . A 162 LEU N . 17736 1 2028 . 1 1 163 163 VAL H H 1 7.49 0.02 . 1 . . . A 163 VAL H . 17736 1 2029 . 1 1 163 163 VAL HA H 1 4.16 0.02 . 1 . . . A 163 VAL HA . 17736 1 2030 . 1 1 163 163 VAL HB H 1 2.30 0.02 . 1 . . . A 163 VAL HB . 17736 1 2031 . 1 1 163 163 VAL HG11 H 1 1.05 0.02 . 1 . . . A 163 VAL HG11 . 17736 1 2032 . 1 1 163 163 VAL HG12 H 1 1.05 0.02 . 1 . . . A 163 VAL HG12 . 17736 1 2033 . 1 1 163 163 VAL HG13 H 1 1.05 0.02 . 1 . . . A 163 VAL HG13 . 17736 1 2034 . 1 1 163 163 VAL HG21 H 1 1.14 0.02 . 1 . . . A 163 VAL HG21 . 17736 1 2035 . 1 1 163 163 VAL HG22 H 1 1.14 0.02 . 1 . . . A 163 VAL HG22 . 17736 1 2036 . 1 1 163 163 VAL HG23 H 1 1.14 0.02 . 1 . . . A 163 VAL HG23 . 17736 1 2037 . 1 1 163 163 VAL C C 13 177.4 0.2 . 1 . . . A 163 VAL C . 17736 1 2038 . 1 1 163 163 VAL CA C 13 64.1 0.2 . 1 . . . A 163 VAL CA . 17736 1 2039 . 1 1 163 163 VAL CB C 13 32.3 0.2 . 1 . . . A 163 VAL CB . 17736 1 2040 . 1 1 163 163 VAL CG1 C 13 21.2 0.2 . 1 . . . A 163 VAL CG1 . 17736 1 2041 . 1 1 163 163 VAL CG2 C 13 21.9 0.2 . 1 . . . A 163 VAL CG2 . 17736 1 2042 . 1 1 163 163 VAL N N 15 116.8 0.2 . 1 . . . A 163 VAL N . 17736 1 2043 . 1 1 164 164 SER H H 1 7.95 0.02 . 1 . . . A 164 SER H . 17736 1 2044 . 1 1 164 164 SER HA H 1 4.39 0.02 . 1 . . . A 164 SER HA . 17736 1 2045 . 1 1 164 164 SER HB2 H 1 4.05 0.02 . 2 . . . A 164 SER HB2 . 17736 1 2046 . 1 1 164 164 SER HB3 H 1 4.05 0.02 . 2 . . . A 164 SER HB3 . 17736 1 2047 . 1 1 164 164 SER C C 13 175.9 0.2 . 1 . . . A 164 SER C . 17736 1 2048 . 1 1 164 164 SER CA C 13 60.2 0.2 . 1 . . . A 164 SER CA . 17736 1 2049 . 1 1 164 164 SER CB C 13 63.8 0.2 . 1 . . . A 164 SER CB . 17736 1 2050 . 1 1 164 164 SER N N 15 116.6 0.2 . 1 . . . A 164 SER N . 17736 1 2051 . 1 1 165 165 GLY H H 1 8.25 0.02 . 1 . . . A 165 GLY H . 17736 1 2052 . 1 1 165 165 GLY HA2 H 1 3.99 0.02 . 2 . . . A 165 GLY HA2 . 17736 1 2053 . 1 1 165 165 GLY HA3 H 1 3.99 0.02 . 2 . . . A 165 GLY HA3 . 17736 1 2054 . 1 1 165 165 GLY C C 13 174.5 0.2 . 1 . . . A 165 GLY C . 17736 1 2055 . 1 1 165 165 GLY CA C 13 46.0 0.2 . 1 . . . A 165 GLY CA . 17736 1 2056 . 1 1 165 165 GLY N N 15 109.9 0.2 . 1 . . . A 165 GLY N . 17736 1 2057 . 1 1 166 166 LYS H H 1 7.90 0.02 . 1 . . . A 166 LYS H . 17736 1 2058 . 1 1 166 166 LYS HA H 1 4.28 0.02 . 1 . . . A 166 LYS HA . 17736 1 2059 . 1 1 166 166 LYS HB2 H 1 1.81 0.02 . 2 . . . A 166 LYS HB2 . 17736 1 2060 . 1 1 166 166 LYS HB3 H 1 1.85 0.02 . 2 . . . A 166 LYS HB3 . 17736 1 2061 . 1 1 166 166 LYS HG2 H 1 1.50 0.02 . 2 . . . A 166 LYS HG2 . 17736 1 2062 . 1 1 166 166 LYS HG3 H 1 1.50 0.02 . 2 . . . A 166 LYS HG3 . 17736 1 2063 . 1 1 166 166 LYS HD2 H 1 1.70 0.02 . 2 . . . A 166 LYS HD2 . 17736 1 2064 . 1 1 166 166 LYS HD3 H 1 1.70 0.02 . 2 . . . A 166 LYS HD3 . 17736 1 2065 . 1 1 166 166 LYS HE2 H 1 3.01 0.02 . 2 . . . A 166 LYS HE2 . 17736 1 2066 . 1 1 166 166 LYS HE3 H 1 3.01 0.02 . 2 . . . A 166 LYS HE3 . 17736 1 2067 . 1 1 166 166 LYS C C 13 176.7 0.2 . 1 . . . A 166 LYS C . 17736 1 2068 . 1 1 166 166 LYS CA C 13 56.8 0.2 . 1 . . . A 166 LYS CA . 17736 1 2069 . 1 1 166 166 LYS CB C 13 33.0 0.2 . 1 . . . A 166 LYS CB . 17736 1 2070 . 1 1 166 166 LYS CG C 13 25.0 0.2 . 1 . . . A 166 LYS CG . 17736 1 2071 . 1 1 166 166 LYS CD C 13 29.2 0.2 . 1 . . . A 166 LYS CD . 17736 1 2072 . 1 1 166 166 LYS CE C 13 42.3 0.2 . 1 . . . A 166 LYS CE . 17736 1 2073 . 1 1 166 166 LYS N N 15 120.8 0.2 . 1 . . . A 166 LYS N . 17736 1 2074 . 1 1 167 167 LYS H H 1 8.27 0.02 . 1 . . . A 167 LYS H . 17736 1 2075 . 1 1 167 167 LYS HA H 1 4.28 0.02 . 1 . . . A 167 LYS HA . 17736 1 2076 . 1 1 167 167 LYS HB2 H 1 1.81 0.02 . 2 . . . A 167 LYS HB2 . 17736 1 2077 . 1 1 167 167 LYS HB3 H 1 1.85 0.02 . 2 . . . A 167 LYS HB3 . 17736 1 2078 . 1 1 167 167 LYS HG2 H 1 1.50 0.02 . 2 . . . A 167 LYS HG2 . 17736 1 2079 . 1 1 167 167 LYS HG3 H 1 1.50 0.02 . 2 . . . A 167 LYS HG3 . 17736 1 2080 . 1 1 167 167 LYS HD2 H 1 1.70 0.02 . 2 . . . A 167 LYS HD2 . 17736 1 2081 . 1 1 167 167 LYS HD3 H 1 1.70 0.02 . 2 . . . A 167 LYS HD3 . 17736 1 2082 . 1 1 167 167 LYS HE2 H 1 3.01 0.02 . 2 . . . A 167 LYS HE2 . 17736 1 2083 . 1 1 167 167 LYS HE3 H 1 3.01 0.02 . 2 . . . A 167 LYS HE3 . 17736 1 2084 . 1 1 167 167 LYS C C 13 176.6 0.2 . 1 . . . A 167 LYS C . 17736 1 2085 . 1 1 167 167 LYS CA C 13 56.6 0.2 . 1 . . . A 167 LYS CA . 17736 1 2086 . 1 1 167 167 LYS CB C 13 32.7 0.2 . 1 . . . A 167 LYS CB . 17736 1 2087 . 1 1 167 167 LYS CG C 13 25.0 0.2 . 1 . . . A 167 LYS CG . 17736 1 2088 . 1 1 167 167 LYS CD C 13 29.2 0.2 . 1 . . . A 167 LYS CD . 17736 1 2089 . 1 1 167 167 LYS CE C 13 42.3 0.2 . 1 . . . A 167 LYS CE . 17736 1 2090 . 1 1 167 167 LYS N N 15 121.6 0.2 . 1 . . . A 167 LYS N . 17736 1 2091 . 1 1 168 168 LEU H H 1 8.24 0.02 . 1 . . . A 168 LEU H . 17736 1 2092 . 1 1 168 168 LEU HA H 1 4.31 0.02 . 1 . . . A 168 LEU HA . 17736 1 2093 . 1 1 168 168 LEU HB2 H 1 1.50 0.02 . 2 . . . A 168 LEU HB2 . 17736 1 2094 . 1 1 168 168 LEU HB3 H 1 1.62 0.02 . 2 . . . A 168 LEU HB3 . 17736 1 2095 . 1 1 168 168 LEU HG H 1 1.61 0.02 . 1 . . . A 168 LEU HG . 17736 1 2096 . 1 1 168 168 LEU HD11 H 1 0.87 0.02 . 1 . . . A 168 LEU HD11 . 17736 1 2097 . 1 1 168 168 LEU HD12 H 1 0.87 0.02 . 1 . . . A 168 LEU HD12 . 17736 1 2098 . 1 1 168 168 LEU HD13 H 1 0.87 0.02 . 1 . . . A 168 LEU HD13 . 17736 1 2099 . 1 1 168 168 LEU HD21 H 1 0.82 0.02 . 1 . . . A 168 LEU HD21 . 17736 1 2100 . 1 1 168 168 LEU HD22 H 1 0.82 0.02 . 1 . . . A 168 LEU HD22 . 17736 1 2101 . 1 1 168 168 LEU HD23 H 1 0.82 0.02 . 1 . . . A 168 LEU HD23 . 17736 1 2102 . 1 1 168 168 LEU C C 13 177.1 0.2 . 1 . . . A 168 LEU C . 17736 1 2103 . 1 1 168 168 LEU CA C 13 55.2 0.2 . 1 . . . A 168 LEU CA . 17736 1 2104 . 1 1 168 168 LEU CB C 13 42.2 0.2 . 1 . . . A 168 LEU CB . 17736 1 2105 . 1 1 168 168 LEU CG C 13 27.1 0.2 . 1 . . . A 168 LEU CG . 17736 1 2106 . 1 1 168 168 LEU CD1 C 13 25.2 0.2 . 1 . . . A 168 LEU CD1 . 17736 1 2107 . 1 1 168 168 LEU CD2 C 13 23.6 0.2 . 1 . . . A 168 LEU CD2 . 17736 1 2108 . 1 1 168 168 LEU N N 15 123.0 0.2 . 1 . . . A 168 LEU N . 17736 1 2109 . 1 1 169 169 GLU H H 1 8.33 0.02 . 1 . . . A 169 GLU H . 17736 1 2110 . 1 1 169 169 GLU HA H 1 4.20 0.02 . 1 . . . A 169 GLU HA . 17736 1 2111 . 1 1 169 169 GLU HB2 H 1 1.86 0.02 . 2 . . . A 169 GLU HB2 . 17736 1 2112 . 1 1 169 169 GLU HB3 H 1 1.92 0.02 . 2 . . . A 169 GLU HB3 . 17736 1 2113 . 1 1 169 169 GLU HG2 H 1 2.13 0.02 . 2 . . . A 169 GLU HG2 . 17736 1 2114 . 1 1 169 169 GLU HG3 H 1 2.20 0.02 . 2 . . . A 169 GLU HG3 . 17736 1 2115 . 1 1 169 169 GLU C C 13 176.1 0.2 . 1 . . . A 169 GLU C . 17736 1 2116 . 1 1 169 169 GLU CA C 13 56.7 0.2 . 1 . . . A 169 GLU CA . 17736 1 2117 . 1 1 169 169 GLU CB C 13 30.3 0.2 . 1 . . . A 169 GLU CB . 17736 1 2118 . 1 1 169 169 GLU CG C 13 36.2 0.2 . 1 . . . A 169 GLU CG . 17736 1 2119 . 1 1 169 169 GLU N N 15 120.9 0.2 . 1 . . . A 169 GLU N . 17736 1 2120 . 1 1 170 170 HIS H H 1 8.26 0.02 . 1 . . . A 170 HIS H . 17736 1 2121 . 1 1 170 170 HIS C C 13 174.1 0.2 . 1 . . . A 170 HIS C . 17736 1 2122 . 1 1 170 170 HIS CA C 13 56.1 0.2 . 1 . . . A 170 HIS CA . 17736 1 2123 . 1 1 170 170 HIS CB C 13 30.6 0.2 . 1 . . . A 170 HIS CB . 17736 1 2124 . 1 1 170 170 HIS N N 15 119.8 0.2 . 1 . . . A 170 HIS N . 17736 1 2125 . 1 1 171 171 HIS H H 1 7.95 0.02 . 1 . . . A 171 HIS H . 17736 1 2126 . 1 1 171 171 HIS CA C 13 57.5 0.2 . 1 . . . A 171 HIS CA . 17736 1 2127 . 1 1 171 171 HIS CB C 13 30.8 0.2 . 1 . . . A 171 HIS CB . 17736 1 2128 . 1 1 171 171 HIS N N 15 125.6 0.2 . 1 . . . A 171 HIS N . 17736 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_1 _Spectral_peak_list.Entry_ID 17736 _Spectral_peak_list.ID 1 _Spectral_peak_list.Sample_ID 2 _Spectral_peak_list.Sample_label $NC5_sample _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 7 _Spectral_peak_list.Experiment_name '3D 1H-15N NOESY' _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; 104.558 -1.250 6.742 4549232 104.569 1.646 6.743 5448622 104.589 4.480 6.744 7324722 104.596 7.355 6.743 34860012 104.599 2.892 6.744 7109472 104.599 6.836 6.745 55798064 104.599 3.128 6.743 17242956 104.600 1.279 6.742 4795170 104.604 -0.935 6.743 25253168 104.604 3.027 6.744 43973488 104.604 7.694 6.740 7594681 104.626 3.236 6.747 4232840 104.628 3.524 6.744 13420461 104.641 1.875 6.744 7440358 105.783 5.618 7.912 11456762 105.785 4.934 7.911 4102796 105.797 4.319 7.920 5854624 105.797 8.014 7.914 7291159 105.811 2.907 7.914 8170151 105.821 3.809 7.920 5173349 105.821 0.624 7.914 6065964 105.841 2.607 7.906 4775164 106.078 2.305 7.863 4733241 106.113 4.297 7.863 16750078 106.115 7.720 7.862 18708976 106.119 4.039 7.863 21992534 106.122 4.448 7.862 9605633 106.137 7.338 7.863 16790218 106.307 3.682 8.173 18972300 106.307 3.794 8.172 24250410 106.307 4.298 8.179 3252307 106.319 1.882 8.169 8789320 106.320 8.308 8.171 17269990 106.324 2.044 8.173 12210712 106.327 8.639 8.171 14842588 107.553 2.848 7.809 5532024 107.570 2.695 7.806 5515794 107.571 0.909 7.807 9853253 107.573 3.466 7.807 57606036 107.577 4.125 7.807 36750292 107.578 8.837 7.806 23029974 107.584 9.282 7.807 28493838 107.586 4.867 7.805 15757536 107.586 4.200 7.805 13532637 107.759 5.717 8.334 10438313 107.766 9.215 8.341 3011489 107.767 1.093 8.338 14454960 107.771 7.851 8.336 25190762 107.772 3.340 8.340 7263368 107.777 3.675 8.336 28589344 107.781 1.866 8.335 3640596 107.784 3.993 8.337 8349276 107.786 7.707 8.333 6548619 107.789 9.020 8.334 7464512 107.795 0.660 8.338 16269375 107.812 3.830 8.339 5411827 109.440 5.674 7.777 16984568 109.447 2.666 7.778 25091736 109.453 4.601 7.778 46394336 109.454 2.977 7.777 42582992 109.456 1.230 7.777 19262014 109.457 4.475 7.778 35946432 109.458 8.393 7.774 10702965 109.468 8.776 7.779 7669664 109.553 4.015 7.776 22308078 109.875 1.083 6.843 3996887 109.875 4.806 6.840 17331780 109.880 2.098 7.752 6010454 109.906 4.160 8.240 5192104 109.906 4.388 8.244 10212415 109.911 8.097 7.750 6871250 109.914 3.833 7.752 12936619 109.914 3.781 7.753 7694404 109.914 3.878 7.752 9071171 109.915 4.002 8.247 36847612 109.917 7.897 7.752 51839460 109.920 0.775 7.754 16653719 109.925 4.229 7.751 10948558 109.926 7.904 8.250 7359435 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7112396 130.053 5.843 10.964 8937599 130.061 4.847 8.037 56752708 130.063 1.332 10.967 29126430 130.068 9.134 10.968 14124671 130.070 7.340 10.965 14464653 130.070 7.295 10.966 6815936 130.220 9.228 9.617 2685890 130.228 2.828 10.364 6458766 130.228 1.809 10.365 3969441 130.251 3.576 10.369 13899578 130.254 7.476 10.368 38453704 130.255 2.217 10.368 5503318 130.259 7.074 10.369 82518568 130.279 4.170 9.615 14897213 130.287 1.653 10.762 7029136 130.292 8.285 9.615 14049575 130.295 1.326 9.619 11322374 130.295 1.460 9.613 3448271 130.298 1.338 10.759 17625008 130.299 2.206 9.617 7015047 130.301 4.321 10.759 34083948 130.302 1.911 9.615 7778040 130.304 4.607 10.759 53850628 130.304 9.127 10.758 28651022 130.320 4.625 9.609 7350174 130.328 5.074 9.617 11896064 130.341 4.183 10.761 7965036 130.344 1.246 8.601 8885471 130.345 1.742 8.601 7149858 130.360 1.598 8.601 41291336 130.362 3.987 8.604 11422133 130.367 1.510 8.602 32797474 130.367 0.886 8.602 6516840 130.367 0.752 8.602 5328500 130.372 4.182 8.602 59810820 130.377 7.748 8.594 4554805 130.385 1.380 8.601 9935546 130.415 3.831 9.556 4544580 130.415 1.297 9.561 4989606 130.422 1.674 9.555 8445501 130.422 0.919 9.555 16773481 130.423 1.729 9.558 14993960 130.423 1.568 9.559 2410134 130.424 4.998 9.558 11920287 130.431 5.694 9.557 8899455 130.432 4.557 9.557 41365144 130.436 2.076 9.558 14633237 130.440 7.166 9.555 6637970 130.448 3.723 9.557 6563124 130.495 3.600 9.559 4831573 130.649 2.237 8.383 4661286 130.661 2.435 8.388 4373527 130.676 2.978 8.387 16458892 130.684 2.001 8.387 7665032 130.691 2.665 8.385 15476823 130.692 7.778 8.384 6115362 130.693 5.428 8.387 50580828 130.694 5.722 8.387 11583887 130.699 4.852 8.386 13999690 130.709 8.634 8.386 7048388 130.896 2.232 8.709 7699604 130.906 -1.233 8.705 5470027 130.914 3.482 8.709 15934831 130.918 1.360 8.708 56181928 130.920 4.301 8.708 60640700 130.926 9.331 8.708 16731803 130.926 1.703 8.711 10608247 130.926 1.619 8.709 7611984 ; loop_ _Spectral_dim.ID _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 N 15 HN 1 2412.201 . . . 17736 1 2 H 1 H 2 10626.300 . . . 17736 1 3 H 1 HN 1 15243.902 . . . 17736 1 stop_ save_ save_Cnoesy_aliph.list _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode Cnoesy_aliph.list _Spectral_peak_list.Entry_ID 17736 _Spectral_peak_list.ID 2 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $NC_sample _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 2 _Spectral_peak_list.Experiment_name '2D 1H-13C HSQC aliphatic' _Spectral_peak_list.Number_of_spectral_dimensions 2 _Spectral_peak_list.Details . 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1.791 4.931 5549086 61.158 0.918 4.927 26833636 61.158 0.812 4.926 27148318 61.158 8.640 4.927 4231834 61.158 5.034 4.930 30499246 61.167 1.755 4.294 5346988 61.196 8.967 4.926 35123240 61.239 2.012 4.929 9435362 61.268 0.893 5.219 31347990 61.280 3.736 5.221 9688092 61.285 9.258 5.219 46904772 61.286 8.715 5.226 10622737 61.286 9.205 5.218 39317772 61.286 5.147 5.221 86819704 61.336 0.405 5.231 4708032 61.355 1.603 5.207 3807376 61.397 9.014 4.521 6742812 61.397 4.394 4.519 22406848 61.423 0.891 4.520 25636588 61.429 0.399 4.518 23820262 61.431 -1.235 3.126 13268811 61.455 1.058 4.515 9531464 61.460 8.719 4.519 36000428 61.460 6.762 3.126 11305441 61.477 1.880 3.127 31009122 61.495 -0.931 3.125 37766476 61.515 9.217 4.517 6271783 61.515 1.599 4.520 6246903 61.523 1.743 4.516 9458059 61.580 8.506 4.189 11629710 61.589 1.743 4.183 23090422 61.615 7.338 4.273 15094302 61.619 2.126 4.182 16374414 61.622 1.030 4.189 6539208 61.625 8.197 4.282 4893149 61.639 1.296 4.183 22404030 61.642 7.136 4.273 19917354 61.645 8.883 4.181 5838566 61.651 3.497 4.272 20984500 61.651 2.387 4.268 19490004 61.655 0.865 4.186 10763630 61.686 7.579 4.179 9389642 61.706 0.896 4.396 41416348 61.706 9.022 4.397 44377588 61.706 8.730 4.397 6370952 61.706 8.811 4.395 3833092 61.706 4.517 4.399 21652022 61.707 1.051 4.397 26954764 61.765 6.186 4.190 7086271 61.769 2.055 4.398 10593336 61.816 0.391 4.396 6502530 61.819 2.445 4.288 41478000 61.834 6.118 4.292 17109668 61.857 8.345 4.292 11663811 61.862 9.145 4.292 41142964 61.874 1.809 4.290 13415890 61.881 2.011 4.291 27326690 62.031 2.045 5.075 7159622 62.066 0.868 5.074 11246572 62.089 1.851 5.071 6028627 62.089 8.043 5.076 14378127 62.109 4.842 5.074 18132960 62.112 3.958 5.073 10531068 62.113 1.299 5.075 36858020 62.117 8.874 5.074 30128234 62.131 8.944 5.073 58918548 62.139 6.167 5.073 7952791 62.205 8.421 4.339 2780326 62.207 1.221 4.340 92650328 62.227 8.636 4.339 22161428 62.277 7.577 4.331 6035629 62.284 1.218 3.981 39283300 62.284 0.764 3.979 22193944 62.301 0.701 3.982 14208339 62.311 1.431 3.981 22940168 62.317 8.306 3.983 16471925 62.375 1.015 3.976 11318165 62.476 1.277 4.558 9812113 62.511 0.916 4.561 23886356 62.513 -0.631 4.553 4324532 62.517 1.570 4.560 7422839 62.529 9.554 4.562 43237060 62.529 9.720 4.561 6912784 62.543 5.693 4.564 15369583 62.567 0.682 4.561 11643172 62.614 7.162 4.556 5297710 63.371 7.267 3.822 12361440 63.400 2.126 3.823 16122907 63.404 1.996 3.822 32822970 63.405 7.104 3.824 20463042 63.406 1.347 3.823 9931787 63.409 0.820 3.820 63751672 63.424 1.510 3.820 25359594 63.425 2.288 3.825 6973326 63.426 1.125 3.820 43925820 63.433 7.602 3.818 7845441 63.550 2.469 3.821 4124082 63.568 2.403 3.954 10700965 63.578 1.259 4.186 73077072 63.583 4.550 4.185 60219440 63.601 8.544 4.189 9710845 63.610 1.011 1.595 17090284 63.618 -0.326 1.591 23905236 63.618 1.065 1.592 7939540 63.622 1.523 3.951 16690834 63.622 1.041 3.948 55808988 63.625 1.600 1.592 51646164 63.634 2.193 3.950 17906962 63.635 7.343 3.954 8104779 63.641 8.360 4.184 14639554 63.642 0.960 3.950 58567548 63.643 3.692 1.595 42009444 63.650 1.629 3.950 12768263 63.651 3.482 3.958 8219366 63.653 7.218 4.183 7384348 63.653 8.539 3.956 8362346 63.653 7.820 3.957 19381918 63.681 8.041 1.595 12581601 63.709 7.530 1.595 5572213 63.745 0.606 1.604 4007877 63.815 2.379 4.063 11487921 63.832 6.983 4.067 9422557 63.834 2.633 4.069 8328842 63.840 4.385 4.051 102574848 63.840 4.164 4.051 246338384 63.843 7.954 4.050 41025272 63.843 8.253 4.051 4627924 63.857 7.599 4.065 25249648 63.862 2.342 4.646 17220176 63.863 7.205 4.069 14375995 63.869 1.028 4.063 68963016 63.870 4.413 4.644 44980488 63.873 2.094 4.643 22386808 63.876 1.365 4.064 15579627 63.879 0.721 4.067 17861810 63.880 9.425 4.644 12550969 63.880 1.806 4.644 46326436 63.882 1.174 4.646 6610621 63.883 3.590 4.648 7494972 63.891 8.384 4.074 5008638 63.896 8.194 4.063 6940278 63.939 1.963 4.064 12278890 63.939 2.428 4.064 10757001 63.939 2.476 4.064 10573513 63.985 2.038 4.210 65271292 63.987 1.871 4.210 45692520 63.987 1.822 4.212 23245668 63.987 1.730 4.212 14359588 63.987 2.243 4.210 10457980 63.987 2.839 4.212 4962423 63.993 3.880 4.534 6667057 63.993 2.147 4.535 23546224 63.993 2.027 4.534 28657734 63.998 8.845 4.210 9720006 64.014 8.435 4.535 70883288 64.016 2.386 4.536 53022912 64.031 2.088 4.536 35326040 64.078 3.475 4.534 2948123 64.099 7.955 4.165 16874102 64.115 1.135 4.166 68307928 64.138 2.295 4.164 45132308 64.138 1.849 4.164 10151094 64.138 1.801 4.164 8439262 64.138 1.048 4.164 60531700 64.155 7.497 4.164 34114644 64.419 7.767 3.782 7793202 64.480 4.241 3.781 54489416 64.495 4.239 3.867 55609068 64.497 7.768 3.866 8551405 64.500 7.901 3.781 18986312 64.517 7.904 3.869 18077518 65.005 1.995 3.828 8309558 65.013 8.293 3.825 13930736 65.047 8.297 3.883 12172684 65.057 8.826 3.823 14953615 65.057 4.678 3.885 62762272 65.057 4.678 3.826 60234236 65.057 5.431 3.873 5921820 65.057 3.822 3.886 317292480 65.057 3.890 3.823 345882816 65.057 1.411 3.825 8482616 65.057 1.411 3.881 10503945 65.057 0.774 3.881 7837840 65.057 0.774 3.825 9071682 65.057 9.219 3.876 3703132 65.061 2.008 3.885 8476097 65.071 8.818 3.885 12169198 65.260 4.892 3.760 55843364 65.260 4.892 3.718 48773016 65.260 3.718 3.760 864847232 65.260 3.764 3.721 902646912 65.296 9.036 3.743 4529228 65.303 8.690 3.715 34908360 65.321 8.688 3.756 34704876 65.384 6.734 3.739 9892803 65.397 0.671 3.739 13565114 65.410 1.025 3.736 29753712 65.429 1.192 3.737 37220328 65.444 2.132 3.736 28014672 65.444 1.843 3.737 24264446 66.231 4.781 3.869 29498902 66.254 9.271 3.872 21098046 66.262 5.456 3.872 52755164 66.264 1.096 3.870 35244044 66.271 8.447 3.871 26764162 66.293 2.788 3.868 21357436 66.299 5.718 3.866 10175432 66.335 6.440 3.244 3791393 66.421 8.531 3.238 12398806 66.424 8.532 3.538 10217960 66.427 4.746 3.238 26897448 66.438 0.424 3.532 12893176 66.440 3.543 3.239 47330088 66.442 4.749 3.537 36068772 66.455 3.235 3.536 51761636 66.458 0.423 3.238 17081574 66.471 0.714 4.144 7169764 66.473 8.579 3.238 7915016 66.473 8.579 3.538 6282902 66.488 0.947 4.152 8580592 66.510 6.434 3.551 8194402 66.520 1.197 4.149 31618856 66.528 7.510 4.150 10817720 66.528 4.223 4.155 40458216 67.337 10.979 4.176 5686016 67.350 8.132 4.165 4080359 67.396 8.298 4.173 4809590 67.400 7.820 3.913 9971281 67.415 1.473 3.914 8517571 67.420 2.769 3.912 11382136 67.429 2.301 3.913 20917304 67.443 9.611 4.171 25366058 67.443 1.327 4.174 18263418 67.443 4.200 3.917 19726472 67.449 0.986 3.914 42128048 67.449 5.075 4.175 17735474 67.450 2.522 4.172 11240494 67.456 7.509 3.913 22606174 67.472 2.284 4.171 9939362 67.534 10.756 4.175 5913958 67.588 8.012 3.165 13816624 67.591 8.863 2.245 10182032 67.592 4.781 3.164 24664664 67.599 0.540 3.346 7028458 67.601 2.110 3.342 13728754 67.603 2.235 3.165 69013288 67.605 7.616 3.347 22401338 67.610 3.165 2.236 70035704 67.613 4.778 2.234 20110626 67.613 4.907 2.232 9796010 67.613 4.914 3.164 11663767 67.616 0.858 3.347 55834328 67.620 1.024 3.347 44504324 67.626 1.283 3.347 35977192 67.636 8.844 3.165 5247641 67.645 8.008 2.230 6177876 68.243 8.538 4.557 4858558 68.246 4.187 4.555 55284808 68.266 1.260 4.555 89690208 68.311 1.340 4.327 44603424 68.311 8.386 4.557 4256983 68.313 10.762 4.329 24462148 68.332 9.134 4.328 27759912 68.654 1.192 4.213 47429528 68.654 3.768 4.215 13181162 68.820 7.510 4.214 41275332 68.820 7.909 4.214 12242694 68.820 7.828 4.214 15566556 68.820 4.164 4.214 102523992 68.892 0.980 4.216 42260508 68.893 2.723 4.215 12755315 68.900 1.192 4.214 26197906 68.921 1.469 4.218 7082416 68.987 3.911 4.212 14889915 69.535 8.641 4.328 8086138 69.566 1.222 4.327 113806232 69.566 5.270 4.320 2923951 70.111 -0.932 1.882 50976796 70.120 3.111 1.881 39137496 70.139 6.756 1.880 5070300 70.139 6.181 1.880 7063281 70.177 3.546 1.881 3990456 70.637 9.253 3.722 4824199 70.643 5.212 3.732 11825389 70.648 0.893 3.731 69887280 70.662 0.404 3.721 5332242 70.679 8.713 3.731 23735818 71.619 3.458 3.831 7850097 71.653 0.765 3.839 32074332 71.667 5.142 3.835 18663940 71.672 8.102 3.838 27681812 71.724 7.758 3.835 9406315 72.151 8.577 4.628 4984855 72.151 5.668 4.640 11805258 72.215 1.272 4.638 23059084 72.231 4.815 3.969 4862290 72.238 0.866 3.963 27275254 72.247 1.300 3.965 26620920 72.250 5.084 3.966 4712956 72.270 6.178 3.963 28467240 72.273 8.887 3.965 15254153 72.273 8.948 3.965 10929440 72.336 1.463 4.638 6217369 73.744 1.092 3.993 50534080 73.755 9.223 3.994 20202972 73.760 8.343 3.993 9220552 73.815 5.467 4.000 6994742 73.836 5.722 4.001 41904224 73.885 1.233 4.014 58962824 73.892 9.373 4.014 19681540 73.892 5.672 4.013 33654176 73.906 1.447 4.013 11980620 73.911 0.810 4.015 29275558 73.942 7.778 4.012 14622434 75.179 7.808 0.957 7386628 75.227 0.676 0.955 20727802 75.249 1.518 0.951 27419852 75.251 3.952 0.953 18485432 75.275 7.095 0.947 16606654 75.284 2.189 0.949 11632024 75.284 1.634 0.953 20911738 75.284 1.028 0.952 436453952 75.727 7.220 0.731 9653792 75.730 4.033 0.715 26827556 75.733 3.035 0.733 10447926 75.800 1.017 0.714 84371136 75.800 1.362 0.721 43091704 75.800 3.521 0.726 4676104 75.800 1.981 0.714 36185296 75.800 1.655 0.719 25057292 75.800 2.301 0.717 10356291 75.800 2.466 0.717 3684246 75.800 3.983 0.714 24183292 ; loop_ _Spectral_dim.ID _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 C 13 Caliph 1 13681.062 . . . 17736 2 2 H 1 H 2 10626.300 . . . 17736 2 3 H 1 HC 1 12755.102 . . . 17736 2 stop_ save_ save_Cnoesy_arom.list _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode Cnoesy_arom.list _Spectral_peak_list.Entry_ID 17736 _Spectral_peak_list.ID 3 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $NC_sample _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 3 _Spectral_peak_list.Experiment_name '2D 1H-13C HSQC-aromatic' _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; 112.181 0.927 7.310 8297663 112.280 6.176 7.303 7761880 112.324 10.130 7.305 7044739 113.041 10.953 5.850 6523664 113.332 9.912 5.830 6901823 113.332 6.648 5.832 10673577 113.332 -0.103 5.834 9255564 113.332 4.481 5.843 6334476 113.549 -1.239 5.841 3086194 113.570 -0.974 5.832 4812659 113.570 9.914 5.835 7144358 113.614 -0.103 5.834 13039025 113.632 6.649 5.834 13372982 113.731 4.482 5.834 10227573 114.039 2.879 7.300 5151150 114.281 7.280 7.285 54421080 114.509 10.279 7.413 14601300 114.536 7.140 7.413 32242910 114.604 6.985 7.477 29186048 114.607 -0.152 7.415 4785026 114.636 10.357 7.479 11523294 114.700 9.597 7.662 5626367 114.708 0.885 7.409 9249014 114.715 7.422 7.662 16218763 114.816 7.133 7.409 29026556 116.015 9.262 6.353 9631680 116.038 9.280 6.206 8450440 117.911 1.464 5.531 11601068 118.046 8.800 5.530 8933074 118.476 7.022 6.801 44408764 118.542 1.996 6.803 9217851 118.580 0.946 6.803 9191190 118.585 0.026 6.800 8711441 118.595 0.737 6.803 13972424 118.652 7.049 6.696 22031182 118.704 3.588 6.695 7595537 118.732 0.874 6.425 14068531 118.771 4.775 6.428 21323078 118.800 0.423 6.432 10193732 118.809 1.602 6.432 6439669 118.819 1.742 6.430 9236827 118.824 7.014 6.430 31184196 118.840 0.651 6.424 8256068 119.502 2.977 6.874 34476904 119.949 1.098 5.662 10258905 119.961 9.259 5.749 12198590 120.009 9.219 5.651 11735709 120.239 7.712 6.636 11090782 120.301 1.440 6.639 6886693 120.312 3.566 7.104 7706990 120.316 6.764 7.109 15280087 120.382 5.865 6.905 13551472 120.392 2.930 7.101 10200167 120.430 7.711 6.632 10876471 120.717 1.229 5.588 9283351 120.735 9.378 5.618 17384142 120.738 1.227 5.762 8739835 120.748 4.038 5.589 7235185 120.788 4.956 5.607 8042708 120.812 9.397 5.720 11245142 120.891 6.789 7.302 18350852 120.907 7.414 7.860 4465776 121.022 2.865 7.299 4697600 121.042 0.973 7.299 7310238 121.501 10.929 5.747 5088350 121.979 6.763 6.762 113467144 121.984 6.977 6.759 27859182 122.115 9.216 7.346 11655691 122.115 5.733 7.343 10722316 122.184 1.328 7.341 22453300 122.214 2.014 7.345 11140119 122.275 10.979 7.340 9578160 122.300 9.219 7.340 14958703 122.365 5.731 7.345 13198894 122.587 3.168 5.879 8995734 122.623 6.667 5.881 7114394 122.675 -0.107 5.872 7356196 122.742 6.901 5.870 8103338 123.505 6.638 7.714 13119651 123.586 1.441 7.707 10294752 123.834 6.791 7.139 20378402 123.843 7.410 7.137 33777696 124.039 6.892 7.237 9939635 124.294 7.665 7.421 13104557 124.660 6.980 6.986 102351744 124.681 7.475 6.985 18116430 124.751 6.770 6.987 18155458 125.613 10.271 7.224 25104486 125.640 9.001 7.227 6821142 125.720 2.861 7.224 9959790 126.085 5.830 6.651 12928965 126.171 6.645 6.648 53511156 126.235 10.361 7.078 16988586 126.262 3.574 7.074 16756161 126.266 5.849 6.644 13891815 126.300 7.716 6.635 3593659 126.353 9.420 7.078 10234167 126.377 9.601 7.122 8970260 126.379 1.405 6.331 9727893 126.398 2.213 6.331 6374272 126.400 3.343 7.124 4452563 126.403 6.334 6.333 95396192 126.403 2.394 6.331 3563513 126.485 10.359 7.078 17415334 126.534 9.236 6.331 12823066 126.800 2.417 6.335 6147236 126.874 6.327 6.333 75135936 127.006 10.137 6.878 24228042 127.097 3.007 6.871 12881855 127.133 3.527 6.877 7928640 127.150 7.804 7.214 5836446 127.233 -0.308 6.877 8633816 127.283 9.904 7.215 22220032 127.290 0.827 7.212 12497052 127.300 2.459 7.220 3642140 127.335 1.036 7.213 24631318 127.417 3.518 7.214 10739085 127.434 10.133 6.874 23061284 128.865 6.639 6.392 22881520 128.887 7.139 6.392 11478131 128.895 0.999 7.069 8746113 129.526 7.135 7.385 21229912 129.529 7.378 7.380 57253000 129.734 6.200 6.202 21800436 129.936 7.302 7.298 176915264 131.000 3.250 7.138 3557576 131.028 -0.931 7.141 4767130 131.028 6.669 7.133 5122500 131.100 8.681 6.950 4748326 131.100 2.442 6.950 3275410 131.125 0.858 7.339 8251933 131.195 0.698 7.109 8746077 131.216 1.020 7.113 16124608 131.220 6.643 6.638 70215472 131.220 7.161 6.641 8155824 131.238 6.638 6.940 35813964 131.262 3.498 7.298 7361588 131.277 3.510 7.137 5529905 131.288 1.998 7.292 8349316 131.360 7.486 7.286 63723152 131.400 4.271 7.145 4869832 131.433 3.503 7.148 4752737 131.537 6.202 6.332 23095364 131.569 2.836 6.334 20674836 131.570 4.078 6.333 9676410 131.630 6.334 6.332 109398080 131.947 3.255 6.991 12913263 131.958 2.489 6.992 16842514 131.959 0.704 6.991 9800598 132.061 0.971 6.989 9981128 132.300 3.733 7.157 3928929 132.300 3.593 7.157 5182978 132.432 0.681 6.998 11033538 132.436 2.485 7.270 10095323 132.476 4.807 7.272 10559781 132.481 7.159 7.162 95029192 132.502 2.931 7.272 11281704 132.515 0.688 7.266 11509979 132.538 6.664 7.162 7306386 132.562 2.688 7.038 12297041 132.562 3.129 7.039 12744688 132.573 0.857 7.271 20197134 132.617 1.029 7.277 6671625 132.656 2.933 7.497 14411092 132.735 5.427 7.024 10159221 132.747 1.623 7.025 6119408 132.757 9.459 7.497 11166084 132.765 4.786 7.017 10044133 132.780 1.977 7.496 14838887 132.782 5.165 7.495 7134055 132.786 6.802 7.031 29085008 132.786 0.702 7.028 13576025 132.800 1.237 7.015 2553252 132.800 8.493 7.040 5506077 132.800 4.873 7.044 4247745 132.802 3.455 7.495 19977688 132.872 8.453 7.013 7051124 132.872 3.162 7.016 10099604 132.872 2.572 7.016 10376463 132.882 6.439 7.018 21751802 132.919 7.290 7.495 91376864 132.968 9.783 7.030 6305064 132.968 6.806 7.029 24828118 132.992 2.313 7.015 8036136 133.000 3.031 7.027 6082124 133.000 2.702 7.027 8105503 ; loop_ _Spectral_dim.ID _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 C 13 Carom 1 6413.526 . . . 17736 3 2 H 1 H 2 10626.300 . . . 17736 3 3 H 1 HC 1 12755.102 . . . 17736 3 stop_ save_ save_4D_ccnoesy.list _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode 4D_ccnoesy.list _Spectral_peak_list.Entry_ID 17736 _Spectral_peak_list.ID 4 _Spectral_peak_list.Sample_ID 3 _Spectral_peak_list.Sample_label $NC_sample_in_D2O _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 20 _Spectral_peak_list.Experiment_name '4D CC-NOESY' _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; 13.940 13.940 0.730 6.833 83617 13.940 13.940 0.785 6.859 62302 13.940 17.217 0.412 0.883 128845 13.940 14.563 3.902 0.630 135925 13.940 24.420 1.075 0.629 111809 13.940 18.463 0.734 0.766 132038 13.940 18.120 1.436 0.764 46815 13.940 29.530 1.241 0.767 69130 13.940 29.565 1.022 0.761 100777 13.940 15.972 2.047 0.859 -23000 14.269 17.043 -0.319 0.630 220207 14.301 15.941 1.014 0.631 -72012 14.308 18.353 1.347 0.631 172281 14.547 22.955 1.500 0.838 -103474 14.551 18.968 3.073 0.831 34592 14.573 22.547 1.239 0.831 139050 14.594 28.254 1.456 0.833 141350 14.606 16.458 0.632 0.834 226173 14.607 16.330 2.045 0.836 -42557 14.629 32.327 4.024 0.833 72484 14.893 29.243 0.055 6.806 91031 14.958 14.704 4.555 6.431 -43091 15.172 29.369 0.043 6.445 127414 15.230 26.279 0.681 6.433 -39739 16.479 26.146 0.937 1.360 196502 16.482 24.349 0.956 0.650 185356 16.487 20.912 0.767 0.644 121450 16.488 22.906 0.712 1.359 185669 16.491 33.467 0.788 1.356 -103477 16.494 22.921 1.507 0.647 -131200 16.504 30.143 4.710 1.360 -420391 16.549 16.599 2.717 2.191 166865 16.677 16.731 1.986 1.360 83980 16.944 18.464 4.539 0.868 159365 16.985 19.428 2.094 0.866 -195035 16.993 24.379 1.063 -0.322 46091 16.998 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0.763 0 ; loop_ _Spectral_dim.ID _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 C 13 Caliph 1 3124.146 . . . 17736 4 2 C 13 C 2 3124.146 . . . 17736 4 3 H 1 HC 2 4197.272 . . . 17736 4 4 H 1 HC 1 8000.000 . . . 17736 4 stop_ save_