data_6782 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6782 _Entry.Title ; 1H, 13C, and 15N Chemical Shift Assignments for E. coli protein YbiA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-08-18 _Entry.Accession_date 2005-08-18 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details 'Northeast Structural Genomics Target ET24' _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 Theresa Ramelot . A. . 6782 2 Rong Xiao . . . 6782 3 Gaetano Montelione . T. . 6782 4 Michael Kennedy . A. . 6782 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6782 coupling_constants 1 6782 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 737 6782 '15N chemical shifts' 170 6782 '1H chemical shifts' 1167 6782 'coupling constants' 44 6782 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2009-07-07 2005-09-28 update BMRB 'added time domain data' 6782 1 . . 2005-08-13 2005-09-28 original author 'original release' 6782 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6782 _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 E. coli YbiA. Northeast Structural Genomics Target ET24.' _Citation.Status published _Citation.Type 'BMRB only' _Citation.Journal_abbrev . _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 Theresa Ramelot . A. . 6782 1 2 Rong Xiao . . . 6782 1 3 Gaetano Montelione . T. . 6782 1 4 Michael Kennedy . A. . 6782 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6782 _Assembly.ID 1 _Assembly.Name YbiA _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 197000 _Assembly.Enzyme_commission_number . _Assembly.Details 'protein monomer' _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 YbiA 1 $YbiA . . yes native no no . . . 6782 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_YbiA _Entity.Sf_category entity _Entity.Sf_framecode YbiA _Entity.Entry_ID 6782 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name YbiA _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MPVRAQRIQHVMQDTIINFY STSDDYGDFSNFAAWPIKVD GKTWPTSEHYFQAQKFLDEK YREEIRRVSSPMVAARMGRD RSKPLRKNWESVKEQVMRKA LRAKFEQHAELRALLLATAP AKLVEHTENDAYWGDGGHGK GKNRLGYLLMELREQLAIEK LEHHHHHH ; _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 168 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2B3W . "Nmr Structure Of The E.Coli Protein Ybia, Northeast Structural Genomics Target Et24" . . . . . 100.00 168 100.00 100.00 2.67e-121 . . . . 6782 1 2 no DBJ BAA35458 . "conserved hypothetical protein [Escherichia coli str. K-12 substr. W3110]" . . . . . 95.24 160 100.00 100.00 1.22e-114 . . . . 6782 1 3 no DBJ BAG76378 . "conserved hypothetical protein [Escherichia coli SE11]" . . . . . 95.24 160 100.00 100.00 1.22e-114 . . . . 6782 1 4 no DBJ BAI24243 . "conserved predicted protein [Escherichia coli O26:H11 str. 11368]" . . . . . 88.69 149 98.66 99.33 2.64e-104 . . . . 6782 1 5 no DBJ BAI29685 . "conserved predicted protein [Escherichia coli O103:H2 str. 12009]" . . . . . 88.69 149 98.66 99.33 2.64e-104 . . . . 6782 1 6 no DBJ BAI34816 . "conserved predicted protein [Escherichia coli O111:H- str. 11128]" . . . . . 88.69 149 98.66 99.33 2.64e-104 . . . . 6782 1 7 no EMBL CAQ31299 . "conserved protein [Escherichia coli BL21(DE3)]" . . . . . 95.24 160 100.00 100.00 1.22e-114 . . . . 6782 1 8 no EMBL CAQ89811 . "conserved hypothetical protein [Escherichia fergusonii ATCC 35469]" . . . . . 95.24 160 98.75 99.38 3.99e-113 . . . . 6782 1 9 no EMBL CAQ97701 . "conserved hypothetical protein [Escherichia coli IAI1]" . . . . . 95.24 160 99.38 100.00 5.11e-114 . . . . 6782 1 10 no EMBL CAR12151 . "conserved hypothetical protein [Escherichia coli UMN026]" . . . . . 95.24 160 97.50 98.13 1.55e-111 . . . . 6782 1 11 no EMBL CAU96708 . "conserved hypothetical protein [Escherichia coli 55989]" . . . . . 95.24 160 98.75 99.38 5.13e-113 . . . . 6782 1 12 no GB AAA53654 . "YbiA [Escherichia coli str. K-12 substr. W3110]" . . . . . 95.24 160 100.00 100.00 1.22e-114 . . . . 6782 1 13 no GB AAC73885 . "DUF1768 family protein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 95.24 160 100.00 100.00 1.22e-114 . . . . 6782 1 14 no GB AAZ87525 . "conserved hypothetical protein [Shigella sonnei Ss046]" . . . . . 95.24 160 98.13 99.38 7.68e-113 . . . . 6782 1 15 no GB ABB65362 . "conserved hypothetical protein [Shigella boydii Sb227]" . . . . . 95.24 160 98.75 100.00 2.12e-113 . . . . 6782 1 16 no GB ABV05209 . "conserved hypothetical protein [Escherichia coli HS]" . . . . . 95.24 160 100.00 100.00 1.22e-114 . . . . 6782 1 17 no REF NP_415319 . "DUF1768 family protein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 95.24 160 100.00 100.00 1.22e-114 . . . . 6782 1 18 no REF WP_001145123 . "Swarming motility protein ybiA [Escherichia fergusonii]" . . . . . 95.24 160 98.75 99.38 3.99e-113 . . . . 6782 1 19 no REF WP_001145126 . "DUF1768 family protein [Escherichia coli]" . . . . . 95.24 160 100.00 100.00 1.22e-114 . . . . 6782 1 20 no REF WP_001145127 . "Swarming motility protein ybiA [Escherichia coli]" . . . . . 95.24 160 99.38 100.00 5.11e-114 . . . . 6782 1 21 no REF WP_001145128 . "Swarming motility protein ybiA [Escherichia coli]" . . . . . 95.24 160 98.75 99.38 5.13e-113 . . . . 6782 1 22 no SP P30176 . "RecName: Full=Swarming motility protein YbiA [Escherichia coli K-12]" . . . . . 95.24 160 100.00 100.00 1.22e-114 . . . . 6782 1 23 no SP Q323Z6 . "RecName: Full=Swarming motility protein YbiA [Shigella boydii Sb227]" . . . . . 95.24 160 98.75 100.00 2.12e-113 . . . . 6782 1 24 no SP Q3Z3Y7 . "RecName: Full=Swarming motility protein YbiA [Shigella sonnei Ss046]" . . . . . 95.24 160 98.13 99.38 7.68e-113 . . . . 6782 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 . 6782 1 2 . PRO . 6782 1 3 . VAL . 6782 1 4 . ARG . 6782 1 5 . ALA . 6782 1 6 . GLN . 6782 1 7 . ARG . 6782 1 8 . ILE . 6782 1 9 . GLN . 6782 1 10 . HIS . 6782 1 11 . VAL . 6782 1 12 . MET . 6782 1 13 . GLN . 6782 1 14 . ASP . 6782 1 15 . THR . 6782 1 16 . ILE . 6782 1 17 . ILE . 6782 1 18 . ASN . 6782 1 19 . PHE . 6782 1 20 . TYR . 6782 1 21 . SER . 6782 1 22 . THR . 6782 1 23 . SER . 6782 1 24 . ASP . 6782 1 25 . ASP . 6782 1 26 . TYR . 6782 1 27 . GLY . 6782 1 28 . ASP . 6782 1 29 . PHE . 6782 1 30 . SER . 6782 1 31 . ASN . 6782 1 32 . PHE . 6782 1 33 . ALA . 6782 1 34 . ALA . 6782 1 35 . TRP . 6782 1 36 . PRO . 6782 1 37 . ILE . 6782 1 38 . LYS . 6782 1 39 . VAL . 6782 1 40 . ASP . 6782 1 41 . GLY . 6782 1 42 . LYS . 6782 1 43 . THR . 6782 1 44 . TRP . 6782 1 45 . PRO . 6782 1 46 . THR . 6782 1 47 . SER . 6782 1 48 . GLU . 6782 1 49 . HIS . 6782 1 50 . TYR . 6782 1 51 . PHE . 6782 1 52 . GLN . 6782 1 53 . ALA . 6782 1 54 . GLN . 6782 1 55 . LYS . 6782 1 56 . PHE . 6782 1 57 . LEU . 6782 1 58 . ASP . 6782 1 59 . GLU . 6782 1 60 . LYS . 6782 1 61 . TYR . 6782 1 62 . ARG . 6782 1 63 . GLU . 6782 1 64 . GLU . 6782 1 65 . ILE . 6782 1 66 . ARG . 6782 1 67 . ARG . 6782 1 68 . VAL . 6782 1 69 . SER . 6782 1 70 . SER . 6782 1 71 . PRO . 6782 1 72 . MET . 6782 1 73 . VAL . 6782 1 74 . ALA . 6782 1 75 . ALA . 6782 1 76 . ARG . 6782 1 77 . MET . 6782 1 78 . GLY . 6782 1 79 . ARG . 6782 1 80 . ASP . 6782 1 81 . ARG . 6782 1 82 . SER . 6782 1 83 . LYS . 6782 1 84 . PRO . 6782 1 85 . LEU . 6782 1 86 . ARG . 6782 1 87 . LYS . 6782 1 88 . ASN . 6782 1 89 . TRP . 6782 1 90 . GLU . 6782 1 91 . SER . 6782 1 92 . VAL . 6782 1 93 . LYS . 6782 1 94 . GLU . 6782 1 95 . GLN . 6782 1 96 . VAL . 6782 1 97 . MET . 6782 1 98 . ARG . 6782 1 99 . LYS . 6782 1 100 . ALA . 6782 1 101 . LEU . 6782 1 102 . ARG . 6782 1 103 . ALA . 6782 1 104 . LYS . 6782 1 105 . PHE . 6782 1 106 . GLU . 6782 1 107 . GLN . 6782 1 108 . HIS . 6782 1 109 . ALA . 6782 1 110 . GLU . 6782 1 111 . LEU . 6782 1 112 . ARG . 6782 1 113 . ALA . 6782 1 114 . LEU . 6782 1 115 . LEU . 6782 1 116 . LEU . 6782 1 117 . ALA . 6782 1 118 . THR . 6782 1 119 . ALA . 6782 1 120 . PRO . 6782 1 121 . ALA . 6782 1 122 . LYS . 6782 1 123 . LEU . 6782 1 124 . VAL . 6782 1 125 . GLU . 6782 1 126 . HIS . 6782 1 127 . THR . 6782 1 128 . GLU . 6782 1 129 . ASN . 6782 1 130 . ASP . 6782 1 131 . ALA . 6782 1 132 . TYR . 6782 1 133 . TRP . 6782 1 134 . GLY . 6782 1 135 . ASP . 6782 1 136 . GLY . 6782 1 137 . GLY . 6782 1 138 . HIS . 6782 1 139 . GLY . 6782 1 140 . LYS . 6782 1 141 . GLY . 6782 1 142 . LYS . 6782 1 143 . ASN . 6782 1 144 . ARG . 6782 1 145 . LEU . 6782 1 146 . GLY . 6782 1 147 . TYR . 6782 1 148 . LEU . 6782 1 149 . LEU . 6782 1 150 . MET . 6782 1 151 . GLU . 6782 1 152 . LEU . 6782 1 153 . ARG . 6782 1 154 . GLU . 6782 1 155 . GLN . 6782 1 156 . LEU . 6782 1 157 . ALA . 6782 1 158 . ILE . 6782 1 159 . GLU . 6782 1 160 . LYS . 6782 1 161 . LEU . 6782 1 162 . GLU . 6782 1 163 . HIS . 6782 1 164 . HIS . 6782 1 165 . HIS . 6782 1 166 . HIS . 6782 1 167 . HIS . 6782 1 168 . HIS . 6782 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 6782 1 . PRO 2 2 6782 1 . VAL 3 3 6782 1 . ARG 4 4 6782 1 . ALA 5 5 6782 1 . GLN 6 6 6782 1 . ARG 7 7 6782 1 . ILE 8 8 6782 1 . GLN 9 9 6782 1 . HIS 10 10 6782 1 . VAL 11 11 6782 1 . MET 12 12 6782 1 . GLN 13 13 6782 1 . ASP 14 14 6782 1 . THR 15 15 6782 1 . ILE 16 16 6782 1 . ILE 17 17 6782 1 . ASN 18 18 6782 1 . PHE 19 19 6782 1 . TYR 20 20 6782 1 . SER 21 21 6782 1 . THR 22 22 6782 1 . SER 23 23 6782 1 . ASP 24 24 6782 1 . ASP 25 25 6782 1 . TYR 26 26 6782 1 . GLY 27 27 6782 1 . ASP 28 28 6782 1 . PHE 29 29 6782 1 . SER 30 30 6782 1 . ASN 31 31 6782 1 . PHE 32 32 6782 1 . ALA 33 33 6782 1 . ALA 34 34 6782 1 . TRP 35 35 6782 1 . PRO 36 36 6782 1 . ILE 37 37 6782 1 . LYS 38 38 6782 1 . VAL 39 39 6782 1 . ASP 40 40 6782 1 . GLY 41 41 6782 1 . LYS 42 42 6782 1 . THR 43 43 6782 1 . TRP 44 44 6782 1 . PRO 45 45 6782 1 . THR 46 46 6782 1 . SER 47 47 6782 1 . GLU 48 48 6782 1 . HIS 49 49 6782 1 . TYR 50 50 6782 1 . PHE 51 51 6782 1 . GLN 52 52 6782 1 . ALA 53 53 6782 1 . GLN 54 54 6782 1 . LYS 55 55 6782 1 . PHE 56 56 6782 1 . LEU 57 57 6782 1 . ASP 58 58 6782 1 . GLU 59 59 6782 1 . LYS 60 60 6782 1 . TYR 61 61 6782 1 . ARG 62 62 6782 1 . GLU 63 63 6782 1 . GLU 64 64 6782 1 . ILE 65 65 6782 1 . ARG 66 66 6782 1 . ARG 67 67 6782 1 . VAL 68 68 6782 1 . SER 69 69 6782 1 . SER 70 70 6782 1 . PRO 71 71 6782 1 . MET 72 72 6782 1 . VAL 73 73 6782 1 . ALA 74 74 6782 1 . ALA 75 75 6782 1 . ARG 76 76 6782 1 . MET 77 77 6782 1 . GLY 78 78 6782 1 . ARG 79 79 6782 1 . ASP 80 80 6782 1 . ARG 81 81 6782 1 . SER 82 82 6782 1 . LYS 83 83 6782 1 . PRO 84 84 6782 1 . LEU 85 85 6782 1 . ARG 86 86 6782 1 . LYS 87 87 6782 1 . ASN 88 88 6782 1 . TRP 89 89 6782 1 . GLU 90 90 6782 1 . SER 91 91 6782 1 . VAL 92 92 6782 1 . LYS 93 93 6782 1 . GLU 94 94 6782 1 . GLN 95 95 6782 1 . VAL 96 96 6782 1 . MET 97 97 6782 1 . ARG 98 98 6782 1 . LYS 99 99 6782 1 . ALA 100 100 6782 1 . LEU 101 101 6782 1 . ARG 102 102 6782 1 . ALA 103 103 6782 1 . LYS 104 104 6782 1 . PHE 105 105 6782 1 . GLU 106 106 6782 1 . GLN 107 107 6782 1 . HIS 108 108 6782 1 . ALA 109 109 6782 1 . GLU 110 110 6782 1 . LEU 111 111 6782 1 . ARG 112 112 6782 1 . ALA 113 113 6782 1 . LEU 114 114 6782 1 . LEU 115 115 6782 1 . LEU 116 116 6782 1 . ALA 117 117 6782 1 . THR 118 118 6782 1 . ALA 119 119 6782 1 . PRO 120 120 6782 1 . ALA 121 121 6782 1 . LYS 122 122 6782 1 . LEU 123 123 6782 1 . VAL 124 124 6782 1 . GLU 125 125 6782 1 . HIS 126 126 6782 1 . THR 127 127 6782 1 . GLU 128 128 6782 1 . ASN 129 129 6782 1 . ASP 130 130 6782 1 . ALA 131 131 6782 1 . TYR 132 132 6782 1 . TRP 133 133 6782 1 . GLY 134 134 6782 1 . ASP 135 135 6782 1 . GLY 136 136 6782 1 . GLY 137 137 6782 1 . HIS 138 138 6782 1 . GLY 139 139 6782 1 . LYS 140 140 6782 1 . GLY 141 141 6782 1 . LYS 142 142 6782 1 . ASN 143 143 6782 1 . ARG 144 144 6782 1 . LEU 145 145 6782 1 . GLY 146 146 6782 1 . TYR 147 147 6782 1 . LEU 148 148 6782 1 . LEU 149 149 6782 1 . MET 150 150 6782 1 . GLU 151 151 6782 1 . LEU 152 152 6782 1 . ARG 153 153 6782 1 . GLU 154 154 6782 1 . GLN 155 155 6782 1 . LEU 156 156 6782 1 . ALA 157 157 6782 1 . ILE 158 158 6782 1 . GLU 159 159 6782 1 . LYS 160 160 6782 1 . LEU 161 161 6782 1 . GLU 162 162 6782 1 . HIS 163 163 6782 1 . HIS 164 164 6782 1 . HIS 165 165 6782 1 . HIS 166 166 6782 1 . HIS 167 167 6782 1 . HIS 168 168 6782 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 6782 _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 $YbiA . 562 organism no . 'E. coli' . . Eubacteria . Eschericia coli . . . . . . . . . . . . . . . . . . . . . 6782 1 stop_ loop_ _Natural_source_db.Entity_natural_src_ID _Natural_source_db.Entity_ID _Natural_source_db.Entity_label _Natural_source_db.Entity_chimera_segment_ID _Natural_source_db.Database_code _Natural_source_db.Database_type _Natural_source_db.Entry_code _Natural_source_db.Entry_type _Natural_source_db.ORF_code _Natural_source_db.Gene_locus_code _Natural_source_db.Gene_cDNA_code _Natural_source_db.Entry_ID _Natural_source_db.Entity_natural_src_list_ID 1 1 $YbiA . Q9Y547 . TrEMBL original PP25 LOC51668 . 6782 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 6782 _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 $YbiA . 'recombinant technology' . E.coli . . Escherichia coli BL21 . . . . . . . . . . . . plasmid . . pet21 . . . . . . 6782 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6782 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM MES, 100 mM NaCl, 10 mM DTT, 0.02% NaN3, 5% D2O, pH 6.5' _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 YbiA '[U-15N; U-13C]' . . 1 $YbiA . protein 1 . . mM 0.2 . . . 6782 1 2 MES . . . . . . . 20 . . mM . . . . 6782 1 3 NaCL . . . . . . . 100 . . mM . . . . 6782 1 4 DTT . . . . . . . 10 . . mM . . . . 6782 1 5 NaN3 . . . . . . . 0.02 . . % . . . . 6782 1 6 D2O . . . . . . . 10 . . % . . . . 6782 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6782 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM MES, 100 mM NaCl, 10 mM DTT, 0.02% NaN3, 5% D2O, pH 6.5' _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 YbiA '[U-15N; U-5% 13C]' . . 1 $YbiA . protein 1 . . mM 0.2 . . . 6782 2 2 MES . . . . . . . 20 . . mM . . . . 6782 2 3 NaCL . . . . . . . 100 . . mM . . . . 6782 2 4 DTT . . . . . . . 10 . . mM . . . . 6782 2 5 NaN3 . . . . . . . 0.02 . . % . . . . 6782 2 6 D2O . . . . . . . 10 . . % . . . . 6782 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 6782 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM MES, 100 mM NaCl, 10 mM DTT, 0.02% NaN3, 100% D2O, pH 6.5' _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 YbiA '[U-15N; U-13C]' . . 1 $YbiA . protein 1 . . mM 0.2 . . . 6782 3 2 MES . . . . . . . 20 . . mM . . . . 6782 3 3 NaCL . . . . . . . 100 . . mM . . . . 6782 3 4 DTT . . . . . . . 10 . . mM . . . . 6782 3 5 NaN3 . . . . . . . 0.02 . . % . . . . 6782 3 6 D2O . . . . . . . 100 . . % . . . . 6782 3 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6782 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 0.1 pH 6782 1 temperature 293 1 K 6782 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer1 _NMR_spectrometer.Entry_ID 6782 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Unity Inova' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer2 _NMR_spectrometer.Entry_ID 6782 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Unity Inova' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer3 _NMR_spectrometer.Entry_ID 6782 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Unity Inova' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6782 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 13C NOESY (arom)' yes 1 . . . . . . . . . 1 $sample_1 isotropic . . 1 $conditions_1 . . . 2 $spectrometer2 . . . . . . . . . . . . . . . . 6782 1 2 CBCACONH yes 2 . . . . . . . . . 1 $sample_1 isotropic . . 1 $conditions_1 . . . 1 $spectrometer1 . . . . . . . . . . . . . . . . 6782 1 3 CCONH yes 3 . . . . . . . . . 1 $sample_1 isotropic . . 1 $conditions_1 . . . 1 $spectrometer1 . . . . . . . . . . . . . . . . 6782 1 4 CCH-TOCSY yes 4 . . . . . . . . . 1 $sample_1 isotropic . . 1 $conditions_1 . . . 1 $spectrometer1 . . . . . . . . . . . . . . . . 6782 1 5 '1H13C HSQC (aliph)' yes 5 . . . . . . . . . 1 $sample_1 isotropic . . 1 $conditions_1 . . . 2 $spectrometer2 . . . . . . . . . . . . . . . . 6782 1 6 '1H13C HSQC (arom)' yes 6 . . . . . . . . . 1 $sample_1 isotropic . . 1 $conditions_1 . . . 2 $spectrometer2 . . . . . . . . . . . . . . . . 6782 1 7 HBCBCGCDCEHE yes 7 . . . . . . . . . 1 $sample_1 isotropic . . 1 $conditions_1 . . . 1 $spectrometer1 . . . . . . . . . . . . . . . . 6782 1 8 HBCBCGCDHD yes 8 . . . . . . . . . 1 $sample_1 isotropic . . 1 $conditions_1 . . . 1 $spectrometer1 . . . . . . . . . . . . . . . . 6782 1 9 HCCONH yes 9 . . . . . . . . . 1 $sample_1 isotropic . . 1 $conditions_1 . . . 1 $spectrometer1 . . . . . . . . . . . . . . . . 6782 1 10 HCCH-COSY yes 10 . . . . . . . . . 1 $sample_1 isotropic . . 1 $conditions_1 . . . 1 $spectrometer1 . . . . . . . . . . . . . . . . 6782 1 11 HCCH-TOCSY yes 11 . . . . . . . . . 1 $sample_1 isotropic . . 1 $conditions_1 . . . 1 $spectrometer1 . . . . . . . . . . . . . . . . 6782 1 12 HNCA yes 12 . . . . . . . . . 1 $sample_1 isotropic . . 1 $conditions_1 . . . 1 $spectrometer1 . . . . . . . . . . . . . . . . 6782 1 13 HNCACB yes 13 . . . . . . . . . 1 $sample_1 isotropic . . 1 $conditions_1 . . . 1 $spectrometer1 . . . . . . . . . . . . . . . . 6782 1 14 HNCO yes 14 . . . . . . . . . 1 $sample_1 isotropic . . 1 $conditions_1 . . . 1 $spectrometer1 . . . . . . . . . . . . . . . . 6782 1 15 HNCOCA yes 15 . . . . . . . . . 1 $sample_1 isotropic . . 1 $conditions_1 . . . 1 $spectrometer1 . . . . . . . . . . . . . . . . 6782 1 16 '1H15N HSQC (long)' yes 16 . . . . . . . . . 1 $sample_1 isotropic . . 1 $conditions_1 . . . 2 $spectrometer2 . . . . . . . . . . . . . . . . 6782 1 17 '1H15N HSQC (NH2 only)' yes 17 . . . . . . . . . 1 $sample_1 isotropic . . 1 $conditions_1 . . . 2 $spectrometer2 . . . . . . . . . . . . . . . . 6782 1 18 '1H15N HSQC (sw1)' yes 18 . . . . . . . . . 1 $sample_1 isotropic . . 1 $conditions_1 . . . 1 $spectrometer1 . . . . . . . . . . . . . . . . 6782 1 19 '1H13C HSQC CT (arom)' yes 19 . . . . . . . . . 1 $sample_1 isotropic . . 1 $conditions_1 . . . 2 $spectrometer2 . . . . . . . . . . . . . . . . 6782 1 20 '3D 13C NOESY (aliph)' yes 20 . . . . . . . . . 1 $sample_1 isotropic . . 1 $conditions_1 . . . 1 $spectrometer1 . . . . . . . . . . . . . . . . 6782 1 21 '3D 15N NOESY' yes 21 . . . . . . . . . 1 $sample_1 isotropic . . 1 $conditions_1 . . . 2 $spectrometer2 . . . . . . . . . . . . . . . . 6782 1 22 '1H15N HSQC' yes 22 . . . . . . . . . 1 $sample_1 isotropic . . 1 $conditions_1 . . . 2 $spectrometer2 . . . . . . . . . . . . . . . . 6782 1 23 '1H13C HSQC (long)' yes 23 . . . . . . . . . 2 $sample_2 isotropic . . 1 $conditions_1 . . . 1 $spectrometer1 . . . . . . . . . . . . . . . . 6782 1 24 HNHA yes 24 . . . . . . . . . 2 $sample_2 isotropic . . 1 $conditions_1 . . . 1 $spectrometer1 . . . . . . . . . . . . . . . . 6782 1 25 '1H15N HSQC' yes 25 . . . . . . . . . 2 $sample_2 isotropic . . 1 $conditions_1 . . . 2 $spectrometer2 . . . . . . . . . . . . . . . . 6782 1 26 '1H15N HSQC (15 min)' yes 26 . . . . . . . . . 3 $sample_3 isotropic . . 1 $conditions_1 . . . 1 $spectrometer1 . . . . . . . . . . . . . . . . 6782 1 27 '1H15N HSQC (22 days)' yes 27 . . . . . . . . . 3 $sample_3 isotropic . . 1 $conditions_1 . . . 1 $spectrometer1 . . . . . . . . . . . . . . . . 6782 1 28 '3D 13C NOESY (aliph)' yes 28 . . . . . . . . . 3 $sample_3 isotropic . . 1 $conditions_1 . . . 1 $spectrometer1 . . . . . . . . . . . . . . . . 6782 1 29 '4D 1H13C-1H13C 4D noesy' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $conditions_1 . . . 1 $spectrometer1 . . . . . . . . . . . . . . . . 6782 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 6782 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 13C NOESY (arom)' _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 $spectrometer2 _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/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24_c13_noesy_arom_2_11_05.fid/' . . . . . . . 6782 1 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24_c13_noesy_arom_2_11_05.fid/' . . . . . . . 6782 1 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24_c13_noesy_arom_2_11_05.fid/' . . . . . . . 6782 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 6782 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name CBCACONH _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 $spectrometer1 _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/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24_cbcaconh_1_28_05.fid/' . . . . . . . 6782 2 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24_cbcaconh_1_28_05.fid/' . . . . . . . 6782 2 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24_cbcaconh_1_28_05.fid/' . . . . . . . 6782 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 6782 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name CCONH _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 $spectrometer1 _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/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24_ccc_toc_conh_2_14_05.fid/' . . . . . . . 6782 3 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24_ccc_toc_conh_2_14_05.fid/' . . . . . . . 6782 3 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24_ccc_toc_conh_2_14_05.fid/' . . . . . . . 6782 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 6782 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name 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 $spectrometer1 _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/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24_cch_tocsy_2_27_05.fid/' . . . . . . . 6782 4 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24_cch_tocsy_2_27_05.fid/' . . . . . . . 6782 4 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24_cch_tocsy_2_27_05.fid/' . . . . . . . 6782 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 6782 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '1H13C HSQC (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 $spectrometer2 _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/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24_chsqc_aliph_2_1_05.fid/' . . . . . . . 6782 5 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24_chsqc_aliph_2_1_05.fid/' . . . . . . . 6782 5 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24_chsqc_aliph_2_1_05.fid/' . . . . . . . 6782 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 6782 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '1H13C HSQC (arom)' _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 $spectrometer2 _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/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24_chsqc_arom_2_1_05.fid/' . . . . . . . 6782 6 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24_chsqc_arom_2_1_05.fid/' . . . . . . . 6782 6 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24_chsqc_arom_2_1_05.fid/' . . . . . . . 6782 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 6782 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HBCBCGCDCEHE _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 $spectrometer1 _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/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24_hbcbcgcdcehe_3_15_05.fid/' . . . . . . . 6782 7 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24_hbcbcgcdcehe_3_15_05.fid/' . . . . . . . 6782 7 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24_hbcbcgcdcehe_3_15_05.fid/' . . . . . . . 6782 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 6782 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HBCBCGCDHD _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 $spectrometer1 _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/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24_hbcbcgcdhd_3_15_05.fid/' . . . . . . . 6782 8 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24_hbcbcgcdhd_3_15_05.fid/' . . . . . . . 6782 8 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24_hbcbcgcdhd_3_15_05.fid/' . . . . . . . 6782 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 6782 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name HCCONH _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 $spectrometer1 _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/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24_hcc_toc_conh_2_17_05.fid/' . . . . . . . 6782 9 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24_hcc_toc_conh_2_17_05.fid/' . . . . . . . 6782 9 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24_hcc_toc_conh_2_17_05.fid/' . . . . . . . 6782 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 6782 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name 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 $spectrometer1 _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/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24_hcch_cosy_2_23_05.fid/' . . . . . . . 6782 10 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24_hcch_cosy_2_23_05.fid/' . . . . . . . 6782 10 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24_hcch_cosy_2_23_05.fid/' . . . . . . . 6782 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 6782 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name 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 $spectrometer1 _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/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24_hcch_tocsy_2_21_05.fid/' . . . . . . . 6782 11 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24_hcch_tocsy_2_21_05.fid/' . . . . . . . 6782 11 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24_hcch_tocsy_2_21_05.fid/' . . . . . . . 6782 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 6782 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer1 _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/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24_hnca_2_1_05.fid/' . . . . . . . 6782 12 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24_hnca_2_1_05.fid/' . . . . . . . 6782 12 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24_hnca_2_1_05.fid/' . . . . . . . 6782 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 6782 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name 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 $spectrometer1 _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/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24_hncacb_1_24_05.fid/' . . . . . . . 6782 13 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24_hncacb_1_24_05.fid/' . . . . . . . 6782 13 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24_hncacb_1_24_05.fid/' . . . . . . . 6782 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 6782 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer1 _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/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24_hnco_1_25_05.fid/' . . . . . . . 6782 14 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24_hnco_1_25_05.fid/' . . . . . . . 6782 14 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24_hnco_1_25_05.fid/' . . . . . . . 6782 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 6782 _NMR_spec_expt.ID 15 _NMR_spec_expt.Name HNCOCA _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 $spectrometer1 _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/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24_hncoca_1_30_05.fid/' . . . . . . . 6782 15 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24_hncoca_1_30_05.fid/' . . . . . . . 6782 15 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24_hncoca_1_30_05.fid/' . . . . . . . 6782 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 6782 _NMR_spec_expt.ID 16 _NMR_spec_expt.Name '1H15N HSQC (long)' _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 $spectrometer2 _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/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24_nhsqc_long_750mhz_2_8_05.fid/' . . . . . . . 6782 16 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24_nhsqc_long_750mhz_2_8_05.fid/' . . . . . . . 6782 16 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24_nhsqc_long_750mhz_2_8_05.fid/' . . . . . . . 6782 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 6782 _NMR_spec_expt.ID 17 _NMR_spec_expt.Name '1H15N HSQC (NH2 only)' _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 $spectrometer2 _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/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24_nhsqc_nh2only_2_8_05.fid/' . . . . . . . 6782 17 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24_nhsqc_nh2only_2_8_05.fid/' . . . . . . . 6782 17 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24_nhsqc_nh2only_2_8_05.fid/' . . . . . . . 6782 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 6782 _NMR_spec_expt.ID 18 _NMR_spec_expt.Name '1H15N HSQC (sw1)' _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 $spectrometer1 _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/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24_nhsqc_sw1_8000_1_14_05.fid/' . . . . . . . 6782 18 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24_nhsqc_sw1_8000_1_14_05.fid/' . . . . . . . 6782 18 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24_nhsqc_sw1_8000_1_14_05.fid/' . . . . . . . 6782 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 6782 _NMR_spec_expt.ID 19 _NMR_spec_expt.Name '1H13C HSQC CT (arom)' _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 $spectrometer2 _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/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24_chsqc_arom_noct_2_8_05.fid/' . . . . . . . 6782 19 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24_chsqc_arom_noct_2_8_05.fid/' . . . . . . . 6782 19 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24_chsqc_arom_noct_2_8_05.fid/' . . . . . . . 6782 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 6782 _NMR_spec_expt.ID 20 _NMR_spec_expt.Name '3D 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 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer1 _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/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24b_c13_noesy_aliph_6_13_05.fid/' . . . . . . . 6782 20 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24b_c13_noesy_aliph_6_13_05.fid/' . . . . . . . 6782 20 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24b_c13_noesy_aliph_6_13_05.fid/' . . . . . . . 6782 20 stop_ save_ save_NMR_spectrometer_expt_21 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_21 _NMR_spec_expt.Entry_ID 6782 _NMR_spec_expt.ID 21 _NMR_spec_expt.Name '3D 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 $spectrometer2 _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/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24b_n15_noesy_7_9_05.fid/' . . . . . . . 6782 21 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24b_n15_noesy_7_9_05.fid/' . . . . . . . 6782 21 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24b_n15_noesy_7_9_05.fid/' . . . . . . . 6782 21 stop_ save_ save_NMR_spectrometer_expt_22 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_22 _NMR_spec_expt.Entry_ID 6782 _NMR_spec_expt.ID 22 _NMR_spec_expt.Name '1H15N 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 $spectrometer2 _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/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24b_nhsqc_750mhz_6_30_05.fid/' . . . . . . . 6782 22 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24b_nhsqc_750mhz_6_30_05.fid/' . . . . . . . 6782 22 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24b_nhsqc_750mhz_6_30_05.fid/' . . . . . . . 6782 22 stop_ save_ save_NMR_spectrometer_expt_23 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_23 _NMR_spec_expt.Entry_ID 6782 _NMR_spec_expt.ID 23 _NMR_spec_expt.Name '1H13C HSQC (long)' _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 $spectrometer1 _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/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24nc5_chsqc_aliph_long_2_2_05.fid/' . . . . . . . 6782 23 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24nc5_chsqc_aliph_long_2_2_05.fid/' . . . . . . . 6782 23 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24nc5_chsqc_aliph_long_2_2_05.fid/' . . . . . . . 6782 23 stop_ save_ save_NMR_spectrometer_expt_24 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_24 _NMR_spec_expt.Entry_ID 6782 _NMR_spec_expt.ID 24 _NMR_spec_expt.Name HNHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer1 _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/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24nc5_hnha_2_6_05.fid/' . . . . . . . 6782 24 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24nc5_hnha_2_6_05.fid/' . . . . . . . 6782 24 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24nc5_hnha_2_6_05.fid/' . . . . . . . 6782 24 stop_ save_ save_NMR_spectrometer_expt_25 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_25 _NMR_spec_expt.Entry_ID 6782 _NMR_spec_expt.ID 25 _NMR_spec_expt.Name '1H15N 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 $spectrometer1 _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/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24nc5_nhsqc_2_1_05.fid/' . . . . . . . 6782 25 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24nc5_nhsqc_2_1_05.fid/' . . . . . . . 6782 25 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24nc5_nhsqc_2_1_05.fid/' . . . . . . . 6782 25 stop_ save_ save_NMR_spectrometer_expt_26 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_26 _NMR_spec_expt.Entry_ID 6782 _NMR_spec_expt.ID 26 _NMR_spec_expt.Name '1H15N HSQC (15 min)' _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 $spectrometer1 _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/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24_d2o_exchange/et24_d2o_nhsqc_15min_3_30_05.fid/' . . . . . . . 6782 26 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24_d2o_exchange/et24_d2o_nhsqc_15min_3_30_05.fid/' . . . . . . . 6782 26 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24_d2o_exchange/et24_d2o_nhsqc_15min_3_30_05.fid/' . . . . . . . 6782 26 stop_ save_ save_NMR_spectrometer_expt_27 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_27 _NMR_spec_expt.Entry_ID 6782 _NMR_spec_expt.ID 27 _NMR_spec_expt.Name '1H15N HSQC (22 days)' _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 $spectrometer1 _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/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24_d2o_exchange/et24_d2o_22day_nhsqc_4_20_05.fid/' . . . . . . . 6782 27 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24_d2o_exchange/et24_d2o_22day_nhsqc_4_20_05.fid/' . . . . . . . 6782 27 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24_d2o_exchange/et24_d2o_22day_nhsqc_4_20_05.fid/' . . . . . . . 6782 27 stop_ save_ save_NMR_spectrometer_expt_28 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_28 _NMR_spec_expt.Entry_ID 6782 _NMR_spec_expt.ID 28 _NMR_spec_expt.Name '3D 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 3 _NMR_spec_expt.NMR_spectrometer_label $spectrometer3 _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/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24_d2o_c13_noesy_aliph_4_20_05.fid/' . . . . . . . 6782 28 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24_d2o_c13_noesy_aliph_4_20_05.fid/' . . . . . . . 6782 28 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6782/timedomain_data/YbiA_et24_bmrb6782_pdb2B3W/et24_d2o_c13_noesy_aliph_4_20_05.fid/' . . . . . . . 6782 28 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6782 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6782 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6782 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6782 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6782 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 13C NOESY (arom)' 1 $sample_1 isotropic 6782 1 20 '3D 13C NOESY (aliph)' 1 $sample_1 isotropic 6782 1 21 '3D 15N NOESY' 1 $sample_1 isotropic 6782 1 28 '3D 13C NOESY (aliph)' 3 $sample_3 isotropic 6782 1 29 '4D 1H13C-1H13C 4D noesy' 3 $sample_3 isotropic 6782 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 PRO HA H 1 4.47 0.02 . 1 . . . . 2 PRO HA . 6782 1 2 . 1 1 2 2 PRO HB2 H 1 2.02 0.02 . 2 . . . . 2 PRO HB2 . 6782 1 3 . 1 1 2 2 PRO HB3 H 1 2.48 0.02 . 2 . . . . 2 PRO HB3 . 6782 1 4 . 1 1 2 2 PRO HG2 H 1 2.01 0.02 . 2 . . . . 2 PRO HG2 . 6782 1 5 . 1 1 2 2 PRO HG3 H 1 2.08 0.02 . 2 . . . . 2 PRO HG3 . 6782 1 6 . 1 1 2 2 PRO HD2 H 1 3.41 0.02 . 1 . . . . 2 PRO HD2 . 6782 1 7 . 1 1 2 2 PRO HD3 H 1 3.41 0.02 . 1 . . . . 2 PRO HD3 . 6782 1 8 . 1 1 2 2 PRO CA C 13 62.4 0.2 . 1 . . . . 2 PRO CA . 6782 1 9 . 1 1 2 2 PRO CB C 13 32.7 0.2 . 1 . . . . 2 PRO CB . 6782 1 10 . 1 1 2 2 PRO CG C 13 26.6 0.2 . 1 . . . . 2 PRO CG . 6782 1 11 . 1 1 2 2 PRO CD C 13 49.4 0.2 . 1 . . . . 2 PRO CD . 6782 1 12 . 1 1 3 3 VAL H H 1 7.28 0.02 . 1 . . . . 3 VAL H . 6782 1 13 . 1 1 3 3 VAL HA H 1 4.17 0.02 . 1 . . . . 3 VAL HA . 6782 1 14 . 1 1 3 3 VAL HB H 1 2.06 0.02 . 1 . . . . 3 VAL HB . 6782 1 15 . 1 1 3 3 VAL HG11 H 1 0.94 0.02 . 2 . . . . 3 VAL HG1 . 6782 1 16 . 1 1 3 3 VAL HG12 H 1 0.94 0.02 . 2 . . . . 3 VAL HG1 . 6782 1 17 . 1 1 3 3 VAL HG13 H 1 0.94 0.02 . 2 . . . . 3 VAL HG1 . 6782 1 18 . 1 1 3 3 VAL HG21 H 1 0.95 0.02 . 2 . . . . 3 VAL HG2 . 6782 1 19 . 1 1 3 3 VAL HG22 H 1 0.95 0.02 . 2 . . . . 3 VAL HG2 . 6782 1 20 . 1 1 3 3 VAL HG23 H 1 0.95 0.02 . 2 . . . . 3 VAL HG2 . 6782 1 21 . 1 1 3 3 VAL C C 13 175.8 0.2 . 1 . . . . 3 VAL C . 6782 1 22 . 1 1 3 3 VAL CA C 13 62.5 0.2 . 1 . . . . 3 VAL CA . 6782 1 23 . 1 1 3 3 VAL CB C 13 32.8 0.2 . 1 . . . . 3 VAL CB . 6782 1 24 . 1 1 3 3 VAL CG1 C 13 20.9 0.2 . 1 . . . . 3 VAL CG1 . 6782 1 25 . 1 1 3 3 VAL CG2 C 13 20.9 0.2 . 1 . . . . 3 VAL CG2 . 6782 1 26 . 1 1 4 4 ARG H H 1 8.56 0.02 . 1 . . . . 4 ARG H . 6782 1 27 . 1 1 4 4 ARG HA H 1 4.33 0.02 . 1 . . . . 4 ARG HA . 6782 1 28 . 1 1 4 4 ARG HB2 H 1 1.77 0.02 . 2 . . . . 4 ARG HB2 . 6782 1 29 . 1 1 4 4 ARG HB3 H 1 1.85 0.02 . 2 . . . . 4 ARG HB3 . 6782 1 30 . 1 1 4 4 ARG HG2 H 1 1.65 0.02 . 1 . . . . 4 ARG HG2 . 6782 1 31 . 1 1 4 4 ARG HG3 H 1 1.65 0.02 . 1 . . . . 4 ARG HG3 . 6782 1 32 . 1 1 4 4 ARG HD2 H 1 3.21 0.02 . 1 . . . . 4 ARG HD2 . 6782 1 33 . 1 1 4 4 ARG HD3 H 1 3.21 0.02 . 1 . . . . 4 ARG HD3 . 6782 1 34 . 1 1 4 4 ARG C C 13 174.1 0.2 . 1 . . . . 4 ARG C . 6782 1 35 . 1 1 4 4 ARG CA C 13 56.1 0.2 . 1 . . . . 4 ARG CA . 6782 1 36 . 1 1 4 4 ARG CB C 13 30.9 0.2 . 1 . . . . 4 ARG CB . 6782 1 37 . 1 1 4 4 ARG CG C 13 27.2 0.2 . 1 . . . . 4 ARG CG . 6782 1 38 . 1 1 4 4 ARG CD C 13 43.4 0.2 . 1 . . . . 4 ARG CD . 6782 1 39 . 1 1 4 4 ARG N N 15 125.6 0.2 . 1 . . . . 4 ARG N . 6782 1 40 . 1 1 5 5 ALA H H 1 8.39 0.02 . 1 . . . . 5 ALA H . 6782 1 41 . 1 1 5 5 ALA HA H 1 4.28 0.02 . 1 . . . . 5 ALA HA . 6782 1 42 . 1 1 5 5 ALA HB1 H 1 1.36 0.02 . 1 . . . . 5 ALA HB . 6782 1 43 . 1 1 5 5 ALA HB2 H 1 1.36 0.02 . 1 . . . . 5 ALA HB . 6782 1 44 . 1 1 5 5 ALA HB3 H 1 1.36 0.02 . 1 . . . . 5 ALA HB . 6782 1 45 . 1 1 5 5 ALA C C 13 177.4 0.2 . 1 . . . . 5 ALA C . 6782 1 46 . 1 1 5 5 ALA CA C 13 52.5 0.2 . 1 . . . . 5 ALA CA . 6782 1 47 . 1 1 5 5 ALA CB C 13 19.3 0.2 . 1 . . . . 5 ALA CB . 6782 1 48 . 1 1 5 5 ALA N N 15 126.0 0.2 . 1 . . . . 5 ALA N . 6782 1 49 . 1 1 6 6 GLN H H 1 8.35 0.02 . 1 . . . . 6 GLN H . 6782 1 50 . 1 1 6 6 GLN HA H 1 4.32 0.02 . 1 . . . . 6 GLN HA . 6782 1 51 . 1 1 6 6 GLN HB2 H 1 1.97 0.02 . 2 . . . . 6 GLN HB2 . 6782 1 52 . 1 1 6 6 GLN HB3 H 1 2.06 0.02 . 2 . . . . 6 GLN HB3 . 6782 1 53 . 1 1 6 6 GLN HG2 H 1 2.33 0.02 . 1 . . . . 6 GLN HG2 . 6782 1 54 . 1 1 6 6 GLN HG3 H 1 2.33 0.02 . 1 . . . . 6 GLN HG3 . 6782 1 55 . 1 1 6 6 GLN HE21 H 1 7.55 0.02 . 2 . . . . 6 GLN HE21 . 6782 1 56 . 1 1 6 6 GLN HE22 H 1 6.74 0.02 . 2 . . . . 6 GLN HE22 . 6782 1 57 . 1 1 6 6 GLN C C 13 175.8 0.2 . 1 . . . . 6 GLN C . 6782 1 58 . 1 1 6 6 GLN CA C 13 55.8 0.2 . 1 . . . . 6 GLN CA . 6782 1 59 . 1 1 6 6 GLN CB C 13 29.7 0.2 . 1 . . . . 6 GLN CB . 6782 1 60 . 1 1 6 6 GLN CG C 13 33.8 0.2 . 1 . . . . 6 GLN CG . 6782 1 61 . 1 1 6 6 GLN N N 15 120.0 0.2 . 1 . . . . 6 GLN N . 6782 1 62 . 1 1 6 6 GLN NE2 N 15 112.2 0.2 . 1 . . . . 6 GLN NE2 . 6782 1 63 . 1 1 7 7 ARG H H 1 8.42 0.02 . 1 . . . . 7 ARG H . 6782 1 64 . 1 1 7 7 ARG HA H 1 4.34 0.02 . 1 . . . . 7 ARG HA . 6782 1 65 . 1 1 7 7 ARG HB2 H 1 1.77 0.02 . 2 . . . . 7 ARG HB2 . 6782 1 66 . 1 1 7 7 ARG HB3 H 1 1.84 0.02 . 2 . . . . 7 ARG HB3 . 6782 1 67 . 1 1 7 7 ARG HG2 H 1 1.62 0.02 . 1 . . . . 7 ARG HG2 . 6782 1 68 . 1 1 7 7 ARG HG3 H 1 1.62 0.02 . 1 . . . . 7 ARG HG3 . 6782 1 69 . 1 1 7 7 ARG HD2 H 1 3.20 0.02 . 1 . . . . 7 ARG HD2 . 6782 1 70 . 1 1 7 7 ARG HD3 H 1 3.20 0.02 . 1 . . . . 7 ARG HD3 . 6782 1 71 . 1 1 7 7 ARG C C 13 176.1 0.2 . 1 . . . . 7 ARG C . 6782 1 72 . 1 1 7 7 ARG CA C 13 56.2 0.2 . 1 . . . . 7 ARG CA . 6782 1 73 . 1 1 7 7 ARG CB C 13 30.9 0.2 . 1 . . . . 7 ARG CB . 6782 1 74 . 1 1 7 7 ARG CG C 13 27.2 0.2 . 1 . . . . 7 ARG CG . 6782 1 75 . 1 1 7 7 ARG CD C 13 43.5 0.2 . 1 . . . . 7 ARG CD . 6782 1 76 . 1 1 7 7 ARG N N 15 122.7 0.2 . 1 . . . . 7 ARG N . 6782 1 77 . 1 1 8 8 ILE H H 1 8.24 0.02 . 1 . . . . 8 ILE H . 6782 1 78 . 1 1 8 8 ILE HA H 1 4.14 0.02 . 1 . . . . 8 ILE HA . 6782 1 79 . 1 1 8 8 ILE HB H 1 1.82 0.02 . 1 . . . . 8 ILE HB . 6782 1 80 . 1 1 8 8 ILE HG12 H 1 1.18 0.02 . 2 . . . . 8 ILE HG12 . 6782 1 81 . 1 1 8 8 ILE HG13 H 1 1.47 0.02 . 2 . . . . 8 ILE HG13 . 6782 1 82 . 1 1 8 8 ILE HG21 H 1 0.84 0.02 . 1 . . . . 8 ILE HG2 . 6782 1 83 . 1 1 8 8 ILE HG22 H 1 0.84 0.02 . 1 . . . . 8 ILE HG2 . 6782 1 84 . 1 1 8 8 ILE HG23 H 1 0.84 0.02 . 1 . . . . 8 ILE HG2 . 6782 1 85 . 1 1 8 8 ILE HD11 H 1 0.86 0.02 . 1 . . . . 8 ILE HD1 . 6782 1 86 . 1 1 8 8 ILE HD12 H 1 0.86 0.02 . 1 . . . . 8 ILE HD1 . 6782 1 87 . 1 1 8 8 ILE HD13 H 1 0.86 0.02 . 1 . . . . 8 ILE HD1 . 6782 1 88 . 1 1 8 8 ILE C C 13 175.9 0.2 . 1 . . . . 8 ILE C . 6782 1 89 . 1 1 8 8 ILE CA C 13 61.1 0.2 . 1 . . . . 8 ILE CA . 6782 1 90 . 1 1 8 8 ILE CB C 13 38.6 0.2 . 1 . . . . 8 ILE CB . 6782 1 91 . 1 1 8 8 ILE CG1 C 13 27.4 0.2 . 1 . . . . 8 ILE CG1 . 6782 1 92 . 1 1 8 8 ILE CG2 C 13 17.4 0.2 . 1 . . . . 8 ILE CG2 . 6782 1 93 . 1 1 8 8 ILE CD1 C 13 12.9 0.2 . 1 . . . . 8 ILE CD1 . 6782 1 94 . 1 1 8 8 ILE N N 15 122.8 0.2 . 1 . . . . 8 ILE N . 6782 1 95 . 1 1 9 9 GLN H H 1 8.45 0.02 . 1 . . . . 9 GLN H . 6782 1 96 . 1 1 9 9 GLN HA H 1 4.34 0.02 . 1 . . . . 9 GLN HA . 6782 1 97 . 1 1 9 9 GLN HB2 H 1 1.96 0.02 . 1 . . . . 9 GLN HB2 . 6782 1 98 . 1 1 9 9 GLN HB3 H 1 1.96 0.02 . 1 . . . . 9 GLN HB3 . 6782 1 99 . 1 1 9 9 GLN HG2 H 1 2.33 0.02 . 1 . . . . 9 GLN HG2 . 6782 1 100 . 1 1 9 9 GLN HG3 H 1 2.33 0.02 . 1 . . . . 9 GLN HG3 . 6782 1 101 . 1 1 9 9 GLN HE21 H 1 7.55 0.02 . 2 . . . . 9 GLN HE21 . 6782 1 102 . 1 1 9 9 GLN HE22 H 1 6.87 0.02 . 2 . . . . 9 GLN HE22 . 6782 1 103 . 1 1 9 9 GLN C C 13 175.5 0.2 . 1 . . . . 9 GLN C . 6782 1 104 . 1 1 9 9 GLN CA C 13 55.9 0.2 . 1 . . . . 9 GLN CA . 6782 1 105 . 1 1 9 9 GLN CB C 13 29.9 0.2 . 1 . . . . 9 GLN CB . 6782 1 106 . 1 1 9 9 GLN CG C 13 33.8 0.2 . 1 . . . . 9 GLN CG . 6782 1 107 . 1 1 9 9 GLN N N 15 124.8 0.2 . 1 . . . . 9 GLN N . 6782 1 108 . 1 1 9 9 GLN NE2 N 15 112.2 0.2 . 1 . . . . 9 GLN NE2 . 6782 1 109 . 1 1 10 10 HIS H H 1 8.43 0.02 . 1 . . . . 10 HIS H . 6782 1 110 . 1 1 10 10 HIS HA H 1 4.70 0.02 . 1 . . . . 10 HIS HA . 6782 1 111 . 1 1 10 10 HIS HB2 H 1 3.13 0.02 . 1 . . . . 10 HIS HB2 . 6782 1 112 . 1 1 10 10 HIS HB3 H 1 3.13 0.02 . 1 . . . . 10 HIS HB3 . 6782 1 113 . 1 1 10 10 HIS HD2 H 1 7.11 0.02 . 1 . . . . 10 HIS HD2 . 6782 1 114 . 1 1 10 10 HIS C C 13 174.6 0.2 . 1 . . . . 10 HIS C . 6782 1 115 . 1 1 10 10 HIS CA C 13 55.9 0.2 . 1 . . . . 10 HIS CA . 6782 1 116 . 1 1 10 10 HIS CB C 13 30.3 0.2 . 1 . . . . 10 HIS CB . 6782 1 117 . 1 1 10 10 HIS CD2 C 13 119.9 0.2 . 1 . . . . 10 HIS CD2 . 6782 1 118 . 1 1 10 10 HIS N N 15 121.0 0.2 . 1 . . . . 10 HIS N . 6782 1 119 . 1 1 11 11 VAL H H 1 8.24 0.02 . 1 . . . . 11 VAL H . 6782 1 120 . 1 1 11 11 VAL HA H 1 4.11 0.02 . 1 . . . . 11 VAL HA . 6782 1 121 . 1 1 11 11 VAL HB H 1 2.05 0.02 . 1 . . . . 11 VAL HB . 6782 1 122 . 1 1 11 11 VAL HG11 H 1 0.92 0.02 . 1 . . . . 11 VAL HG1 . 6782 1 123 . 1 1 11 11 VAL HG12 H 1 0.92 0.02 . 1 . . . . 11 VAL HG1 . 6782 1 124 . 1 1 11 11 VAL HG13 H 1 0.92 0.02 . 1 . . . . 11 VAL HG1 . 6782 1 125 . 1 1 11 11 VAL HG21 H 1 0.92 0.02 . 1 . . . . 11 VAL HG2 . 6782 1 126 . 1 1 11 11 VAL HG22 H 1 0.92 0.02 . 1 . . . . 11 VAL HG2 . 6782 1 127 . 1 1 11 11 VAL HG23 H 1 0.92 0.02 . 1 . . . . 11 VAL HG2 . 6782 1 128 . 1 1 11 11 VAL C C 13 175.6 0.2 . 1 . . . . 11 VAL C . 6782 1 129 . 1 1 11 11 VAL CA C 13 62.5 0.2 . 1 . . . . 11 VAL CA . 6782 1 130 . 1 1 11 11 VAL CB C 13 32.9 0.2 . 1 . . . . 11 VAL CB . 6782 1 131 . 1 1 11 11 VAL CG1 C 13 21.7 0.2 . 1 . . . . 11 VAL CG1 . 6782 1 132 . 1 1 11 11 VAL CG2 C 13 20.6 0.2 . 1 . . . . 11 VAL CG2 . 6782 1 133 . 1 1 11 11 VAL N N 15 121.8 0.2 . 1 . . . . 11 VAL N . 6782 1 134 . 1 1 12 12 MET H H 1 8.63 0.02 . 1 . . . . 12 MET H . 6782 1 135 . 1 1 12 12 MET HA H 1 4.60 0.02 . 1 . . . . 12 MET HA . 6782 1 136 . 1 1 12 12 MET HB2 H 1 2.06 0.02 . 2 . . . . 12 MET HB2 . 6782 1 137 . 1 1 12 12 MET HB3 H 1 2.16 0.02 . 2 . . . . 12 MET HB3 . 6782 1 138 . 1 1 12 12 MET HG2 H 1 2.53 0.02 . 2 . . . . 12 MET HG2 . 6782 1 139 . 1 1 12 12 MET HG3 H 1 2.63 0.02 . 2 . . . . 12 MET HG3 . 6782 1 140 . 1 1 12 12 MET HE1 H 1 2.12 0.02 . 1 . . . . 12 MET HE . 6782 1 141 . 1 1 12 12 MET HE2 H 1 2.12 0.02 . 1 . . . . 12 MET HE . 6782 1 142 . 1 1 12 12 MET HE3 H 1 2.12 0.02 . 1 . . . . 12 MET HE . 6782 1 143 . 1 1 12 12 MET C C 13 176.4 0.2 . 1 . . . . 12 MET C . 6782 1 144 . 1 1 12 12 MET CA C 13 54.9 0.2 . 1 . . . . 12 MET CA . 6782 1 145 . 1 1 12 12 MET CB C 13 33.7 0.2 . 1 . . . . 12 MET CB . 6782 1 146 . 1 1 12 12 MET CG C 13 32.2 0.2 . 1 . . . . 12 MET CG . 6782 1 147 . 1 1 12 12 MET CE C 13 17.2 0.2 . 1 . . . . 12 MET CE . 6782 1 148 . 1 1 12 12 MET N N 15 123.7 0.2 . 1 . . . . 12 MET N . 6782 1 149 . 1 1 13 13 GLN H H 1 8.50 0.02 . 1 . . . . 13 GLN H . 6782 1 150 . 1 1 13 13 GLN HA H 1 4.14 0.02 . 1 . . . . 13 GLN HA . 6782 1 151 . 1 1 13 13 GLN HB2 H 1 2.07 0.02 . 1 . . . . 13 GLN HB2 . 6782 1 152 . 1 1 13 13 GLN HB3 H 1 2.07 0.02 . 1 . . . . 13 GLN HB3 . 6782 1 153 . 1 1 13 13 GLN HG2 H 1 2.40 0.02 . 1 . . . . 13 GLN HG2 . 6782 1 154 . 1 1 13 13 GLN HG3 H 1 2.40 0.02 . 1 . . . . 13 GLN HG3 . 6782 1 155 . 1 1 13 13 GLN HE21 H 1 7.55 0.02 . 2 . . . . 13 GLN HE21 . 6782 1 156 . 1 1 13 13 GLN HE22 H 1 6.87 0.02 . 2 . . . . 13 GLN HE22 . 6782 1 157 . 1 1 13 13 GLN C C 13 175.7 0.2 . 1 . . . . 13 GLN C . 6782 1 158 . 1 1 13 13 GLN CA C 13 57.3 0.2 . 1 . . . . 13 GLN CA . 6782 1 159 . 1 1 13 13 GLN CB C 13 29.1 0.2 . 1 . . . . 13 GLN CB . 6782 1 160 . 1 1 13 13 GLN CG C 13 33.7 0.2 . 1 . . . . 13 GLN CG . 6782 1 161 . 1 1 13 13 GLN N N 15 120.3 0.2 . 1 . . . . 13 GLN N . 6782 1 162 . 1 1 13 13 GLN NE2 N 15 112.2 0.2 . 1 . . . . 13 GLN NE2 . 6782 1 163 . 1 1 14 14 ASP H H 1 8.28 0.02 . 1 . . . . 14 ASP H . 6782 1 164 . 1 1 14 14 ASP HA H 1 4.63 0.02 . 1 . . . . 14 ASP HA . 6782 1 165 . 1 1 14 14 ASP HB2 H 1 2.69 0.02 . 1 . . . . 14 ASP HB2 . 6782 1 166 . 1 1 14 14 ASP HB3 H 1 2.69 0.02 . 1 . . . . 14 ASP HB3 . 6782 1 167 . 1 1 14 14 ASP C C 13 176.0 0.2 . 1 . . . . 14 ASP C . 6782 1 168 . 1 1 14 14 ASP CA C 13 54.2 0.2 . 1 . . . . 14 ASP CA . 6782 1 169 . 1 1 14 14 ASP CB C 13 40.8 0.2 . 1 . . . . 14 ASP CB . 6782 1 170 . 1 1 14 14 ASP N N 15 118.2 0.2 . 1 . . . . 14 ASP N . 6782 1 171 . 1 1 15 15 THR H H 1 7.97 0.02 . 1 . . . . 15 THR H . 6782 1 172 . 1 1 15 15 THR HA H 1 4.23 0.02 . 1 . . . . 15 THR HA . 6782 1 173 . 1 1 15 15 THR HB H 1 4.13 0.02 . 1 . . . . 15 THR HB . 6782 1 174 . 1 1 15 15 THR HG21 H 1 1.23 0.02 . 1 . . . . 15 THR HG2 . 6782 1 175 . 1 1 15 15 THR HG22 H 1 1.23 0.02 . 1 . . . . 15 THR HG2 . 6782 1 176 . 1 1 15 15 THR HG23 H 1 1.23 0.02 . 1 . . . . 15 THR HG2 . 6782 1 177 . 1 1 15 15 THR C C 13 173.3 0.2 . 1 . . . . 15 THR C . 6782 1 178 . 1 1 15 15 THR CA C 13 63.4 0.2 . 1 . . . . 15 THR CA . 6782 1 179 . 1 1 15 15 THR CB C 13 69.7 0.2 . 1 . . . . 15 THR CB . 6782 1 180 . 1 1 15 15 THR CG2 C 13 21.9 0.2 . 1 . . . . 15 THR CG2 . 6782 1 181 . 1 1 15 15 THR N N 15 116.9 0.2 . 1 . . . . 15 THR N . 6782 1 182 . 1 1 16 16 ILE H H 1 8.33 0.02 . 1 . . . . 16 ILE H . 6782 1 183 . 1 1 16 16 ILE HA H 1 4.56 0.02 . 1 . . . . 16 ILE HA . 6782 1 184 . 1 1 16 16 ILE HB H 1 1.63 0.02 . 1 . . . . 16 ILE HB . 6782 1 185 . 1 1 16 16 ILE HG12 H 1 0.95 0.02 . 2 . . . . 16 ILE HG12 . 6782 1 186 . 1 1 16 16 ILE HG13 H 1 1.53 0.02 . 2 . . . . 16 ILE HG13 . 6782 1 187 . 1 1 16 16 ILE HG21 H 1 0.68 0.02 . 1 . . . . 16 ILE HG2 . 6782 1 188 . 1 1 16 16 ILE HG22 H 1 0.68 0.02 . 1 . . . . 16 ILE HG2 . 6782 1 189 . 1 1 16 16 ILE HG23 H 1 0.68 0.02 . 1 . . . . 16 ILE HG2 . 6782 1 190 . 1 1 16 16 ILE HD11 H 1 0.83 0.02 . 1 . . . . 16 ILE HD1 . 6782 1 191 . 1 1 16 16 ILE HD12 H 1 0.83 0.02 . 1 . . . . 16 ILE HD1 . 6782 1 192 . 1 1 16 16 ILE HD13 H 1 0.83 0.02 . 1 . . . . 16 ILE HD1 . 6782 1 193 . 1 1 16 16 ILE C C 13 175.4 0.2 . 1 . . . . 16 ILE C . 6782 1 194 . 1 1 16 16 ILE CA C 13 60.5 0.2 . 1 . . . . 16 ILE CA . 6782 1 195 . 1 1 16 16 ILE CB C 13 40.8 0.2 . 1 . . . . 16 ILE CB . 6782 1 196 . 1 1 16 16 ILE CG1 C 13 28.0 0.2 . 1 . . . . 16 ILE CG1 . 6782 1 197 . 1 1 16 16 ILE CG2 C 13 17.6 0.2 . 1 . . . . 16 ILE CG2 . 6782 1 198 . 1 1 16 16 ILE CD1 C 13 13.5 0.2 . 1 . . . . 16 ILE CD1 . 6782 1 199 . 1 1 16 16 ILE N N 15 125.9 0.2 . 1 . . . . 16 ILE N . 6782 1 200 . 1 1 17 17 ILE H H 1 9.05 0.02 . 1 . . . . 17 ILE H . 6782 1 201 . 1 1 17 17 ILE HA H 1 4.10 0.02 . 1 . . . . 17 ILE HA . 6782 1 202 . 1 1 17 17 ILE HB H 1 1.63 0.02 . 1 . . . . 17 ILE HB . 6782 1 203 . 1 1 17 17 ILE HG12 H 1 0.82 0.02 . 2 . . . . 17 ILE HG12 . 6782 1 204 . 1 1 17 17 ILE HG13 H 1 1.21 0.02 . 2 . . . . 17 ILE HG13 . 6782 1 205 . 1 1 17 17 ILE HG21 H 1 0.32 0.02 . 1 . . . . 17 ILE HG2 . 6782 1 206 . 1 1 17 17 ILE HG22 H 1 0.32 0.02 . 1 . . . . 17 ILE HG2 . 6782 1 207 . 1 1 17 17 ILE HG23 H 1 0.32 0.02 . 1 . . . . 17 ILE HG2 . 6782 1 208 . 1 1 17 17 ILE HD11 H 1 0.41 0.02 . 1 . . . . 17 ILE HD1 . 6782 1 209 . 1 1 17 17 ILE HD12 H 1 0.41 0.02 . 1 . . . . 17 ILE HD1 . 6782 1 210 . 1 1 17 17 ILE HD13 H 1 0.41 0.02 . 1 . . . . 17 ILE HD1 . 6782 1 211 . 1 1 17 17 ILE C C 13 173.5 0.2 . 1 . . . . 17 ILE C . 6782 1 212 . 1 1 17 17 ILE CA C 13 60.9 0.2 . 1 . . . . 17 ILE CA . 6782 1 213 . 1 1 17 17 ILE CB C 13 39.3 0.2 . 1 . . . . 17 ILE CB . 6782 1 214 . 1 1 17 17 ILE CG1 C 13 27.3 0.2 . 1 . . . . 17 ILE CG1 . 6782 1 215 . 1 1 17 17 ILE CG2 C 13 16.4 0.2 . 1 . . . . 17 ILE CG2 . 6782 1 216 . 1 1 17 17 ILE CD1 C 13 12.9 0.2 . 1 . . . . 17 ILE CD1 . 6782 1 217 . 1 1 17 17 ILE N N 15 129.3 0.2 . 1 . . . . 17 ILE N . 6782 1 218 . 1 1 18 18 ASN H H 1 8.31 0.02 . 1 . . . . 18 ASN H . 6782 1 219 . 1 1 18 18 ASN HA H 1 5.81 0.02 . 1 . . . . 18 ASN HA . 6782 1 220 . 1 1 18 18 ASN HB2 H 1 2.30 0.02 . 2 . . . . 18 ASN HB2 . 6782 1 221 . 1 1 18 18 ASN HB3 H 1 2.67 0.02 . 2 . . . . 18 ASN HB3 . 6782 1 222 . 1 1 18 18 ASN HD21 H 1 7.03 0.02 . 1 . . . . 18 ASN HD21 . 6782 1 223 . 1 1 18 18 ASN HD22 H 1 6.00 0.02 . 1 . . . . 18 ASN HD22 . 6782 1 224 . 1 1 18 18 ASN C C 13 175.3 0.2 . 1 . . . . 18 ASN C . 6782 1 225 . 1 1 18 18 ASN CA C 13 51.9 0.2 . 1 . . . . 18 ASN CA . 6782 1 226 . 1 1 18 18 ASN CB C 13 40.9 0.2 . 1 . . . . 18 ASN CB . 6782 1 227 . 1 1 18 18 ASN N N 15 126.2 0.2 . 1 . . . . 18 ASN N . 6782 1 228 . 1 1 18 18 ASN ND2 N 15 109.0 0.2 . 1 . . . . 18 ASN ND2 . 6782 1 229 . 1 1 19 19 PHE H H 1 8.95 0.02 . 1 . . . . 19 PHE H . 6782 1 230 . 1 1 19 19 PHE HA H 1 5.14 0.02 . 1 . . . . 19 PHE HA . 6782 1 231 . 1 1 19 19 PHE HB2 H 1 2.88 0.02 . 1 . . . . 19 PHE HB2 . 6782 1 232 . 1 1 19 19 PHE HB3 H 1 2.88 0.02 . 1 . . . . 19 PHE HB3 . 6782 1 233 . 1 1 19 19 PHE HD1 H 1 6.99 0.02 . 1 . . . . 19 PHE HD1 . 6782 1 234 . 1 1 19 19 PHE HD2 H 1 6.99 0.02 . 1 . . . . 19 PHE HD2 . 6782 1 235 . 1 1 19 19 PHE HE1 H 1 6.96 0.02 . 1 . . . . 19 PHE HE1 . 6782 1 236 . 1 1 19 19 PHE HE2 H 1 6.96 0.02 . 1 . . . . 19 PHE HE2 . 6782 1 237 . 1 1 19 19 PHE HZ H 1 6.83 0.02 . 1 . . . . 19 PHE HZ . 6782 1 238 . 1 1 19 19 PHE CA C 13 56.6 0.2 . 1 . . . . 19 PHE CA . 6782 1 239 . 1 1 19 19 PHE CB C 13 43.1 0.2 . 1 . . . . 19 PHE CB . 6782 1 240 . 1 1 19 19 PHE CD1 C 13 132.4 0.2 . 1 . . . . 19 PHE CD1 . 6782 1 241 . 1 1 19 19 PHE CD2 C 13 132.4 0.2 . 1 . . . . 19 PHE CD2 . 6782 1 242 . 1 1 19 19 PHE CE1 C 13 130.5 0.2 . 1 . . . . 19 PHE CE1 . 6782 1 243 . 1 1 19 19 PHE CE2 C 13 130.5 0.2 . 1 . . . . 19 PHE CE2 . 6782 1 244 . 1 1 19 19 PHE CZ C 13 129.2 0.2 . 1 . . . . 19 PHE CZ . 6782 1 245 . 1 1 19 19 PHE N N 15 118.2 0.2 . 1 . . . . 19 PHE N . 6782 1 246 . 1 1 20 20 TYR HA H 1 3.96 0.02 . 1 . . . . 20 TYR HA . 6782 1 247 . 1 1 20 20 TYR HB2 H 1 2.71 0.02 . 1 . . . . 20 TYR HB2 . 6782 1 248 . 1 1 20 20 TYR HB3 H 1 2.71 0.02 . 1 . . . . 20 TYR HB3 . 6782 1 249 . 1 1 20 20 TYR HD1 H 1 7.04 0.02 . 1 . . . . 20 TYR HD1 . 6782 1 250 . 1 1 20 20 TYR HD2 H 1 7.04 0.02 . 1 . . . . 20 TYR HD2 . 6782 1 251 . 1 1 20 20 TYR HE1 H 1 6.74 0.02 . 1 . . . . 20 TYR HE1 . 6782 1 252 . 1 1 20 20 TYR HE2 H 1 6.74 0.02 . 1 . . . . 20 TYR HE2 . 6782 1 253 . 1 1 20 20 TYR CA C 13 63.5 0.2 . 1 . . . . 20 TYR CA . 6782 1 254 . 1 1 20 20 TYR CB C 13 39.5 0.2 . 1 . . . . 20 TYR CB . 6782 1 255 . 1 1 20 20 TYR CD1 C 13 132.9 0.2 . 1 . . . . 20 TYR CD1 . 6782 1 256 . 1 1 20 20 TYR CD2 C 13 132.9 0.2 . 1 . . . . 20 TYR CD2 . 6782 1 257 . 1 1 20 20 TYR CE1 C 13 118.0 0.2 . 1 . . . . 20 TYR CE1 . 6782 1 258 . 1 1 20 20 TYR CE2 C 13 118.0 0.2 . 1 . . . . 20 TYR CE2 . 6782 1 259 . 1 1 22 22 THR HA H 1 4.38 0.02 . 1 . . . . 22 THR HA . 6782 1 260 . 1 1 22 22 THR HB H 1 4.18 0.02 . 1 . . . . 22 THR HB . 6782 1 261 . 1 1 22 22 THR HG21 H 1 1.32 0.02 . 1 . . . . 22 THR HG2 . 6782 1 262 . 1 1 22 22 THR HG22 H 1 1.32 0.02 . 1 . . . . 22 THR HG2 . 6782 1 263 . 1 1 22 22 THR HG23 H 1 1.32 0.02 . 1 . . . . 22 THR HG2 . 6782 1 264 . 1 1 22 22 THR CA C 13 68.3 0.2 . 1 . . . . 22 THR CA . 6782 1 265 . 1 1 22 22 THR CB C 13 64.3 0.2 . 1 . . . . 22 THR CB . 6782 1 266 . 1 1 22 22 THR CG2 C 13 22.3 0.2 . 1 . . . . 22 THR CG2 . 6782 1 267 . 1 1 26 26 TYR HA H 1 4.30 0.02 . 1 . . . . 26 TYR HA . 6782 1 268 . 1 1 26 26 TYR HB2 H 1 2.46 0.02 . 2 . . . . 26 TYR HB2 . 6782 1 269 . 1 1 26 26 TYR HB3 H 1 2.64 0.02 . 2 . . . . 26 TYR HB3 . 6782 1 270 . 1 1 26 26 TYR HD1 H 1 6.54 0.02 . 1 . . . . 26 TYR HD1 . 6782 1 271 . 1 1 26 26 TYR HD2 H 1 6.54 0.02 . 1 . . . . 26 TYR HD2 . 6782 1 272 . 1 1 26 26 TYR HE1 H 1 6.73 0.02 . 1 . . . . 26 TYR HE1 . 6782 1 273 . 1 1 26 26 TYR HE2 H 1 6.73 0.02 . 1 . . . . 26 TYR HE2 . 6782 1 274 . 1 1 26 26 TYR CA C 13 56.0 0.2 . 1 . . . . 26 TYR CA . 6782 1 275 . 1 1 26 26 TYR CB C 13 40.4 0.2 . 1 . . . . 26 TYR CB . 6782 1 276 . 1 1 26 26 TYR CD1 C 13 133.1 0.2 . 1 . . . . 26 TYR CD1 . 6782 1 277 . 1 1 26 26 TYR CD2 C 13 133.1 0.2 . 1 . . . . 26 TYR CD2 . 6782 1 278 . 1 1 26 26 TYR CE1 C 13 118.0 0.2 . 1 . . . . 26 TYR CE1 . 6782 1 279 . 1 1 26 26 TYR CE2 C 13 118.0 0.2 . 1 . . . . 26 TYR CE2 . 6782 1 280 . 1 1 27 27 GLY HA2 H 1 3.76 0.02 . 2 . . . . 27 GLY HA2 . 6782 1 281 . 1 1 27 27 GLY HA3 H 1 4.14 0.02 . 2 . . . . 27 GLY HA3 . 6782 1 282 . 1 1 27 27 GLY CA C 13 48.3 0.2 . 1 . . . . 27 GLY CA . 6782 1 283 . 1 1 28 28 ASP HA H 1 4.69 0.02 . 1 . . . . 28 ASP HA . 6782 1 284 . 1 1 28 28 ASP HB2 H 1 1.90 0.02 . 2 . . . . 28 ASP HB2 . 6782 1 285 . 1 1 28 28 ASP HB3 H 1 2.56 0.02 . 2 . . . . 28 ASP HB3 . 6782 1 286 . 1 1 28 28 ASP C C 13 177.5 0.2 . 1 . . . . 28 ASP C . 6782 1 287 . 1 1 28 28 ASP CA C 13 57.2 0.2 . 1 . . . . 28 ASP CA . 6782 1 288 . 1 1 28 28 ASP CB C 13 42.1 0.2 . 1 . . . . 28 ASP CB . 6782 1 289 . 1 1 29 29 PHE H H 1 8.06 0.02 . 1 . . . . 29 PHE H . 6782 1 290 . 1 1 29 29 PHE HA H 1 4.39 0.02 . 1 . . . . 29 PHE HA . 6782 1 291 . 1 1 29 29 PHE HB2 H 1 2.09 0.02 . 2 . . . . 29 PHE HB2 . 6782 1 292 . 1 1 29 29 PHE HB3 H 1 2.27 0.02 . 2 . . . . 29 PHE HB3 . 6782 1 293 . 1 1 29 29 PHE HD1 H 1 6.57 0.02 . 1 . . . . 29 PHE HD1 . 6782 1 294 . 1 1 29 29 PHE HD2 H 1 6.57 0.02 . 1 . . . . 29 PHE HD2 . 6782 1 295 . 1 1 29 29 PHE HE1 H 1 6.99 0.02 . 1 . . . . 29 PHE HE1 . 6782 1 296 . 1 1 29 29 PHE HE2 H 1 6.99 0.02 . 1 . . . . 29 PHE HE2 . 6782 1 297 . 1 1 29 29 PHE HZ H 1 7.08 0.02 . 1 . . . . 29 PHE HZ . 6782 1 298 . 1 1 29 29 PHE C C 13 177.0 0.2 . 1 . . . . 29 PHE C . 6782 1 299 . 1 1 29 29 PHE CA C 13 55.2 0.2 . 1 . . . . 29 PHE CA . 6782 1 300 . 1 1 29 29 PHE CB C 13 35.4 0.2 . 1 . . . . 29 PHE CB . 6782 1 301 . 1 1 29 29 PHE CD1 C 13 128.9 0.2 . 1 . . . . 29 PHE CD1 . 6782 1 302 . 1 1 29 29 PHE CD2 C 13 128.9 0.2 . 1 . . . . 29 PHE CD2 . 6782 1 303 . 1 1 29 29 PHE CE1 C 13 130.7 0.2 . 1 . . . . 29 PHE CE1 . 6782 1 304 . 1 1 29 29 PHE CE2 C 13 130.7 0.2 . 1 . . . . 29 PHE CE2 . 6782 1 305 . 1 1 29 29 PHE CZ C 13 127.9 0.2 . 1 . . . . 29 PHE CZ . 6782 1 306 . 1 1 29 29 PHE N N 15 117.4 0.2 . 1 . . . . 29 PHE N . 6782 1 307 . 1 1 30 30 SER H H 1 7.68 0.02 . 1 . . . . 30 SER H . 6782 1 308 . 1 1 30 30 SER HA H 1 4.41 0.02 . 1 . . . . 30 SER HA . 6782 1 309 . 1 1 30 30 SER HB2 H 1 4.02 0.02 . 2 . . . . 30 SER HB2 . 6782 1 310 . 1 1 30 30 SER HB3 H 1 4.20 0.02 . 2 . . . . 30 SER HB3 . 6782 1 311 . 1 1 30 30 SER C C 13 178.7 0.2 . 1 . . . . 30 SER C . 6782 1 312 . 1 1 30 30 SER CA C 13 58.0 0.2 . 1 . . . . 30 SER CA . 6782 1 313 . 1 1 30 30 SER CB C 13 63.5 0.2 . 1 . . . . 30 SER CB . 6782 1 314 . 1 1 30 30 SER N N 15 113.4 0.2 . 1 . . . . 30 SER N . 6782 1 315 . 1 1 31 31 ASN H H 1 9.59 0.02 . 1 . . . . 31 ASN H . 6782 1 316 . 1 1 31 31 ASN HA H 1 4.61 0.02 . 1 . . . . 31 ASN HA . 6782 1 317 . 1 1 31 31 ASN HB2 H 1 2.91 0.02 . 2 . . . . 31 ASN HB2 . 6782 1 318 . 1 1 31 31 ASN HB3 H 1 2.93 0.02 . 2 . . . . 31 ASN HB3 . 6782 1 319 . 1 1 31 31 ASN HD21 H 1 8.41 0.02 . 2 . . . . 31 ASN HD21 . 6782 1 320 . 1 1 31 31 ASN HD22 H 1 6.03 0.02 . 2 . . . . 31 ASN HD22 . 6782 1 321 . 1 1 31 31 ASN C C 13 175.9 0.2 . 1 . . . . 31 ASN C . 6782 1 322 . 1 1 31 31 ASN CA C 13 56.0 0.2 . 1 . . . . 31 ASN CA . 6782 1 323 . 1 1 31 31 ASN CB C 13 37.2 0.2 . 1 . . . . 31 ASN CB . 6782 1 324 . 1 1 31 31 ASN N N 15 126.5 0.2 . 1 . . . . 31 ASN N . 6782 1 325 . 1 1 31 31 ASN ND2 N 15 115.7 0.2 . 1 . . . . 31 ASN ND2 . 6782 1 326 . 1 1 32 32 PHE H H 1 8.62 0.02 . 1 . . . . 32 PHE H . 6782 1 327 . 1 1 32 32 PHE HA H 1 4.46 0.02 . 1 . . . . 32 PHE HA . 6782 1 328 . 1 1 32 32 PHE HB2 H 1 3.15 0.02 . 2 . . . . 32 PHE HB2 . 6782 1 329 . 1 1 32 32 PHE HB3 H 1 3.19 0.02 . 2 . . . . 32 PHE HB3 . 6782 1 330 . 1 1 32 32 PHE HD1 H 1 7.17 0.02 . 1 . . . . 32 PHE HD1 . 6782 1 331 . 1 1 32 32 PHE HD2 H 1 7.17 0.02 . 1 . . . . 32 PHE HD2 . 6782 1 332 . 1 1 32 32 PHE HE1 H 1 7.24 0.02 . 1 . . . . 32 PHE HE1 . 6782 1 333 . 1 1 32 32 PHE HE2 H 1 7.24 0.02 . 1 . . . . 32 PHE HE2 . 6782 1 334 . 1 1 32 32 PHE HZ H 1 7.21 0.02 . 1 . . . . 32 PHE HZ . 6782 1 335 . 1 1 32 32 PHE C C 13 175.7 0.2 . 1 . . . . 32 PHE C . 6782 1 336 . 1 1 32 32 PHE CA C 13 56.8 0.2 . 1 . . . . 32 PHE CA . 6782 1 337 . 1 1 32 32 PHE CB C 13 38.4 0.2 . 1 . . . . 32 PHE CB . 6782 1 338 . 1 1 32 32 PHE CD1 C 13 130.2 0.2 . 1 . . . . 32 PHE CD1 . 6782 1 339 . 1 1 32 32 PHE CD2 C 13 130.2 0.2 . 1 . . . . 32 PHE CD2 . 6782 1 340 . 1 1 32 32 PHE CE1 C 13 131.7 0.2 . 1 . . . . 32 PHE CE1 . 6782 1 341 . 1 1 32 32 PHE CE2 C 13 131.7 0.2 . 1 . . . . 32 PHE CE2 . 6782 1 342 . 1 1 32 32 PHE CZ C 13 129.7 0.2 . 1 . . . . 32 PHE CZ . 6782 1 343 . 1 1 32 32 PHE N N 15 118.0 0.2 . 1 . . . . 32 PHE N . 6782 1 344 . 1 1 33 33 ALA H H 1 7.51 0.02 . 1 . . . . 33 ALA H . 6782 1 345 . 1 1 33 33 ALA HA H 1 4.33 0.02 . 1 . . . . 33 ALA HA . 6782 1 346 . 1 1 33 33 ALA HB1 H 1 1.94 0.02 . 1 . . . . 33 ALA HB . 6782 1 347 . 1 1 33 33 ALA HB2 H 1 1.94 0.02 . 1 . . . . 33 ALA HB . 6782 1 348 . 1 1 33 33 ALA HB3 H 1 1.94 0.02 . 1 . . . . 33 ALA HB . 6782 1 349 . 1 1 33 33 ALA C C 13 178.9 0.2 . 1 . . . . 33 ALA C . 6782 1 350 . 1 1 33 33 ALA CA C 13 53.3 0.2 . 1 . . . . 33 ALA CA . 6782 1 351 . 1 1 33 33 ALA CB C 13 21.1 0.2 . 1 . . . . 33 ALA CB . 6782 1 352 . 1 1 33 33 ALA N N 15 121.4 0.2 . 1 . . . . 33 ALA N . 6782 1 353 . 1 1 34 34 ALA H H 1 8.80 0.02 . 1 . . . . 34 ALA H . 6782 1 354 . 1 1 34 34 ALA HA H 1 4.30 0.02 . 1 . . . . 34 ALA HA . 6782 1 355 . 1 1 34 34 ALA HB1 H 1 1.22 0.02 . 1 . . . . 34 ALA HB . 6782 1 356 . 1 1 34 34 ALA HB2 H 1 1.22 0.02 . 1 . . . . 34 ALA HB . 6782 1 357 . 1 1 34 34 ALA HB3 H 1 1.22 0.02 . 1 . . . . 34 ALA HB . 6782 1 358 . 1 1 34 34 ALA C C 13 174.4 0.2 . 1 . . . . 34 ALA C . 6782 1 359 . 1 1 34 34 ALA CA C 13 52.8 0.2 . 1 . . . . 34 ALA CA . 6782 1 360 . 1 1 34 34 ALA CB C 13 16.8 0.2 . 1 . . . . 34 ALA CB . 6782 1 361 . 1 1 34 34 ALA N N 15 127.6 0.2 . 1 . . . . 34 ALA N . 6782 1 362 . 1 1 35 35 TRP H H 1 7.63 0.02 . 1 . . . . 35 TRP H . 6782 1 363 . 1 1 35 35 TRP HA H 1 4.71 0.02 . 1 . . . . 35 TRP HA . 6782 1 364 . 1 1 35 35 TRP HB2 H 1 2.28 0.02 . 2 . . . . 35 TRP HB2 . 6782 1 365 . 1 1 35 35 TRP HB3 H 1 2.55 0.02 . 2 . . . . 35 TRP HB3 . 6782 1 366 . 1 1 35 35 TRP HD1 H 1 6.64 0.02 . 1 . . . . 35 TRP HD1 . 6782 1 367 . 1 1 35 35 TRP HE1 H 1 10.47 0.02 . 1 . . . . 35 TRP HE1 . 6782 1 368 . 1 1 35 35 TRP HE3 H 1 6.15 0.02 . 1 . . . . 35 TRP HE3 . 6782 1 369 . 1 1 35 35 TRP HZ2 H 1 7.28 0.02 . 1 . . . . 35 TRP HZ2 . 6782 1 370 . 1 1 35 35 TRP HZ3 H 1 7.06 0.02 . 1 . . . . 35 TRP HZ3 . 6782 1 371 . 1 1 35 35 TRP HH2 H 1 7.10 0.02 . 1 . . . . 35 TRP HH2 . 6782 1 372 . 1 1 35 35 TRP CA C 13 52.9 0.2 . 1 . . . . 35 TRP CA . 6782 1 373 . 1 1 35 35 TRP CB C 13 30.6 0.2 . 1 . . . . 35 TRP CB . 6782 1 374 . 1 1 35 35 TRP CD1 C 13 125.2 0.2 . 1 . . . . 35 TRP CD1 . 6782 1 375 . 1 1 35 35 TRP CE3 C 13 119.5 0.2 . 1 . . . . 35 TRP CE3 . 6782 1 376 . 1 1 35 35 TRP CZ2 C 13 114.9 0.2 . 1 . . . . 35 TRP CZ2 . 6782 1 377 . 1 1 35 35 TRP CZ3 C 13 121.5 0.2 . 1 . . . . 35 TRP CZ3 . 6782 1 378 . 1 1 35 35 TRP CH2 C 13 124.4 0.2 . 1 . . . . 35 TRP CH2 . 6782 1 379 . 1 1 35 35 TRP N N 15 126.3 0.2 . 1 . . . . 35 TRP N . 6782 1 380 . 1 1 35 35 TRP NE1 N 15 128.5 0.2 . 1 . . . . 35 TRP NE1 . 6782 1 381 . 1 1 36 36 PRO HA H 1 4.80 0.02 . 1 . . . . 36 PRO HA . 6782 1 382 . 1 1 36 36 PRO HB2 H 1 1.82 0.02 . 2 . . . . 36 PRO HB2 . 6782 1 383 . 1 1 36 36 PRO HB3 H 1 2.21 0.02 . 2 . . . . 36 PRO HB3 . 6782 1 384 . 1 1 36 36 PRO HG2 H 1 2.00 0.02 . 2 . . . . 36 PRO HG2 . 6782 1 385 . 1 1 36 36 PRO HG3 H 1 2.11 0.02 . 2 . . . . 36 PRO HG3 . 6782 1 386 . 1 1 36 36 PRO HD2 H 1 3.61 0.02 . 2 . . . . 36 PRO HD2 . 6782 1 387 . 1 1 36 36 PRO HD3 H 1 3.73 0.02 . 2 . . . . 36 PRO HD3 . 6782 1 388 . 1 1 36 36 PRO C C 13 178.5 0.2 . 1 . . . . 36 PRO C . 6782 1 389 . 1 1 36 36 PRO CA C 13 63.2 0.2 . 1 . . . . 36 PRO CA . 6782 1 390 . 1 1 36 36 PRO CB C 13 32.6 0.2 . 1 . . . . 36 PRO CB . 6782 1 391 . 1 1 36 36 PRO CG C 13 27.7 0.2 . 1 . . . . 36 PRO CG . 6782 1 392 . 1 1 36 36 PRO CD C 13 50.9 0.2 . 1 . . . . 36 PRO CD . 6782 1 393 . 1 1 37 37 ILE H H 1 8.91 0.02 . 1 . . . . 37 ILE H . 6782 1 394 . 1 1 37 37 ILE HA H 1 5.00 0.02 . 1 . . . . 37 ILE HA . 6782 1 395 . 1 1 37 37 ILE HB H 1 1.52 0.02 . 1 . . . . 37 ILE HB . 6782 1 396 . 1 1 37 37 ILE HG12 H 1 1.04 0.02 . 2 . . . . 37 ILE HG12 . 6782 1 397 . 1 1 37 37 ILE HG13 H 1 1.75 0.02 . 2 . . . . 37 ILE HG13 . 6782 1 398 . 1 1 37 37 ILE HG21 H 1 0.98 0.02 . 1 . . . . 37 ILE HG2 . 6782 1 399 . 1 1 37 37 ILE HG22 H 1 0.98 0.02 . 1 . . . . 37 ILE HG2 . 6782 1 400 . 1 1 37 37 ILE HG23 H 1 0.98 0.02 . 1 . . . . 37 ILE HG2 . 6782 1 401 . 1 1 37 37 ILE HD11 H 1 0.66 0.02 . 1 . . . . 37 ILE HD1 . 6782 1 402 . 1 1 37 37 ILE HD12 H 1 0.66 0.02 . 1 . . . . 37 ILE HD1 . 6782 1 403 . 1 1 37 37 ILE HD13 H 1 0.66 0.02 . 1 . . . . 37 ILE HD1 . 6782 1 404 . 1 1 37 37 ILE C C 13 173.9 0.2 . 1 . . . . 37 ILE C . 6782 1 405 . 1 1 37 37 ILE CA C 13 59.0 0.2 . 1 . . . . 37 ILE CA . 6782 1 406 . 1 1 37 37 ILE CB C 13 43.5 0.2 . 1 . . . . 37 ILE CB . 6782 1 407 . 1 1 37 37 ILE CG1 C 13 25.1 0.2 . 1 . . . . 37 ILE CG1 . 6782 1 408 . 1 1 37 37 ILE CG2 C 13 17.9 0.2 . 1 . . . . 37 ILE CG2 . 6782 1 409 . 1 1 37 37 ILE CD1 C 13 14.0 0.2 . 1 . . . . 37 ILE CD1 . 6782 1 410 . 1 1 37 37 ILE N N 15 115.3 0.2 . 1 . . . . 37 ILE N . 6782 1 411 . 1 1 38 38 LYS H H 1 9.86 0.02 . 1 . . . . 38 LYS H . 6782 1 412 . 1 1 38 38 LYS HA H 1 5.31 0.02 . 1 . . . . 38 LYS HA . 6782 1 413 . 1 1 38 38 LYS HB2 H 1 1.60 0.02 . 2 . . . . 38 LYS HB2 . 6782 1 414 . 1 1 38 38 LYS HB3 H 1 1.72 0.02 . 2 . . . . 38 LYS HB3 . 6782 1 415 . 1 1 38 38 LYS HG2 H 1 1.55 0.02 . 2 . . . . 38 LYS HG2 . 6782 1 416 . 1 1 38 38 LYS HG3 H 1 1.62 0.02 . 2 . . . . 38 LYS HG3 . 6782 1 417 . 1 1 38 38 LYS HD2 H 1 1.19 0.02 . 2 . . . . 38 LYS HD2 . 6782 1 418 . 1 1 38 38 LYS HD3 H 1 1.27 0.02 . 2 . . . . 38 LYS HD3 . 6782 1 419 . 1 1 38 38 LYS HE2 H 1 2.82 0.02 . 1 . . . . 38 LYS HE2 . 6782 1 420 . 1 1 38 38 LYS HE3 H 1 2.82 0.02 . 1 . . . . 38 LYS HE3 . 6782 1 421 . 1 1 38 38 LYS C C 13 177.2 0.2 . 1 . . . . 38 LYS C . 6782 1 422 . 1 1 38 38 LYS CA C 13 55.2 0.2 . 1 . . . . 38 LYS CA . 6782 1 423 . 1 1 38 38 LYS CB C 13 32.9 0.2 . 1 . . . . 38 LYS CB . 6782 1 424 . 1 1 38 38 LYS CG C 13 29.4 0.2 . 1 . . . . 38 LYS CG . 6782 1 425 . 1 1 38 38 LYS CD C 13 24.9 0.2 . 1 . . . . 38 LYS CD . 6782 1 426 . 1 1 38 38 LYS CE C 13 41.9 0.2 . 1 . . . . 38 LYS CE . 6782 1 427 . 1 1 38 38 LYS N N 15 126.0 0.2 . 1 . . . . 38 LYS N . 6782 1 428 . 1 1 39 39 VAL H H 1 9.21 0.02 . 1 . . . . 39 VAL H . 6782 1 429 . 1 1 39 39 VAL HA H 1 4.20 0.02 . 1 . . . . 39 VAL HA . 6782 1 430 . 1 1 39 39 VAL HB H 1 1.58 0.02 . 1 . . . . 39 VAL HB . 6782 1 431 . 1 1 39 39 VAL HG11 H 1 0.52 0.02 . 1 . . . . 39 VAL HG1 . 6782 1 432 . 1 1 39 39 VAL HG12 H 1 0.52 0.02 . 1 . . . . 39 VAL HG1 . 6782 1 433 . 1 1 39 39 VAL HG13 H 1 0.52 0.02 . 1 . . . . 39 VAL HG1 . 6782 1 434 . 1 1 39 39 VAL HG21 H 1 0.30 0.02 . 1 . . . . 39 VAL HG2 . 6782 1 435 . 1 1 39 39 VAL HG22 H 1 0.30 0.02 . 1 . . . . 39 VAL HG2 . 6782 1 436 . 1 1 39 39 VAL HG23 H 1 0.30 0.02 . 1 . . . . 39 VAL HG2 . 6782 1 437 . 1 1 39 39 VAL C C 13 176.0 0.2 . 1 . . . . 39 VAL C . 6782 1 438 . 1 1 39 39 VAL CA C 13 61.7 0.2 . 1 . . . . 39 VAL CA . 6782 1 439 . 1 1 39 39 VAL CB C 13 35.5 0.2 . 1 . . . . 39 VAL CB . 6782 1 440 . 1 1 39 39 VAL CG1 C 13 22.7 0.2 . 1 . . . . 39 VAL CG1 . 6782 1 441 . 1 1 39 39 VAL CG2 C 13 20.9 0.2 . 1 . . . . 39 VAL CG2 . 6782 1 442 . 1 1 39 39 VAL N N 15 124.9 0.2 . 1 . . . . 39 VAL N . 6782 1 443 . 1 1 40 40 ASP H H 1 9.63 0.02 . 1 . . . . 40 ASP H . 6782 1 444 . 1 1 40 40 ASP HA H 1 4.42 0.02 . 1 . . . . 40 ASP HA . 6782 1 445 . 1 1 40 40 ASP HB2 H 1 3.10 0.02 . 2 . . . . 40 ASP HB2 . 6782 1 446 . 1 1 40 40 ASP HB3 H 1 3.18 0.02 . 2 . . . . 40 ASP HB3 . 6782 1 447 . 1 1 40 40 ASP C C 13 176.0 0.2 . 1 . . . . 40 ASP C . 6782 1 448 . 1 1 40 40 ASP CA C 13 55.7 0.2 . 1 . . . . 40 ASP CA . 6782 1 449 . 1 1 40 40 ASP CB C 13 39.6 0.2 . 1 . . . . 40 ASP CB . 6782 1 450 . 1 1 40 40 ASP N N 15 127.9 0.2 . 1 . . . . 40 ASP N . 6782 1 451 . 1 1 41 41 GLY H H 1 8.81 0.02 . 1 . . . . 41 GLY H . 6782 1 452 . 1 1 41 41 GLY HA2 H 1 3.63 0.02 . 2 . . . . 41 GLY HA2 . 6782 1 453 . 1 1 41 41 GLY HA3 H 1 4.23 0.02 . 2 . . . . 41 GLY HA3 . 6782 1 454 . 1 1 41 41 GLY C C 13 173.9 0.2 . 1 . . . . 41 GLY C . 6782 1 455 . 1 1 41 41 GLY CA C 13 45.6 0.2 . 1 . . . . 41 GLY CA . 6782 1 456 . 1 1 41 41 GLY N N 15 103.2 0.2 . 1 . . . . 41 GLY N . 6782 1 457 . 1 1 42 42 LYS H H 1 7.78 0.02 . 1 . . . . 42 LYS H . 6782 1 458 . 1 1 42 42 LYS HA H 1 4.72 0.02 . 1 . . . . 42 LYS HA . 6782 1 459 . 1 1 42 42 LYS HB2 H 1 1.20 0.02 . 2 . . . . 42 LYS HB2 . 6782 1 460 . 1 1 42 42 LYS HB3 H 1 1.65 0.02 . 2 . . . . 42 LYS HB3 . 6782 1 461 . 1 1 42 42 LYS HG2 H 1 1.48 0.02 . 2 . . . . 42 LYS HG2 . 6782 1 462 . 1 1 42 42 LYS HG3 H 1 1.65 0.02 . 2 . . . . 42 LYS HG3 . 6782 1 463 . 1 1 42 42 LYS HD2 H 1 1.37 0.02 . 2 . . . . 42 LYS HD2 . 6782 1 464 . 1 1 42 42 LYS HD3 H 1 1.55 0.02 . 2 . . . . 42 LYS HD3 . 6782 1 465 . 1 1 42 42 LYS HE2 H 1 3.00 0.02 . 2 . . . . 42 LYS HE2 . 6782 1 466 . 1 1 42 42 LYS HE3 H 1 3.06 0.02 . 2 . . . . 42 LYS HE3 . 6782 1 467 . 1 1 42 42 LYS C C 13 174.5 0.2 . 1 . . . . 42 LYS C . 6782 1 468 . 1 1 42 42 LYS CA C 13 54.5 0.2 . 1 . . . . 42 LYS CA . 6782 1 469 . 1 1 42 42 LYS CB C 13 37.2 0.2 . 1 . . . . 42 LYS CB . 6782 1 470 . 1 1 42 42 LYS CG C 13 29.8 0.2 . 1 . . . . 42 LYS CG . 6782 1 471 . 1 1 42 42 LYS CD C 13 24.9 0.2 . 1 . . . . 42 LYS CD . 6782 1 472 . 1 1 42 42 LYS CE C 13 42.3 0.2 . 1 . . . . 42 LYS CE . 6782 1 473 . 1 1 42 42 LYS N N 15 119.2 0.2 . 1 . . . . 42 LYS N . 6782 1 474 . 1 1 43 43 THR H H 1 8.29 0.02 . 1 . . . . 43 THR H . 6782 1 475 . 1 1 43 43 THR HA H 1 4.86 0.02 . 1 . . . . 43 THR HA . 6782 1 476 . 1 1 43 43 THR HB H 1 3.82 0.02 . 1 . . . . 43 THR HB . 6782 1 477 . 1 1 43 43 THR HG21 H 1 1.00 0.02 . 1 . . . . 43 THR HG2 . 6782 1 478 . 1 1 43 43 THR HG22 H 1 1.00 0.02 . 1 . . . . 43 THR HG2 . 6782 1 479 . 1 1 43 43 THR HG23 H 1 1.00 0.02 . 1 . . . . 43 THR HG2 . 6782 1 480 . 1 1 43 43 THR C C 13 174.2 0.2 . 1 . . . . 43 THR C . 6782 1 481 . 1 1 43 43 THR CA C 13 62.5 0.2 . 1 . . . . 43 THR CA . 6782 1 482 . 1 1 43 43 THR CB C 13 68.8 0.2 . 1 . . . . 43 THR CB . 6782 1 483 . 1 1 43 43 THR CG2 C 13 21.8 0.2 . 1 . . . . 43 THR CG2 . 6782 1 484 . 1 1 43 43 THR N N 15 116.8 0.2 . 1 . . . . 43 THR N . 6782 1 485 . 1 1 44 44 TRP H H 1 10.09 0.02 . 1 . . . . 44 TRP H . 6782 1 486 . 1 1 44 44 TRP HA H 1 4.79 0.02 . 1 . . . . 44 TRP HA . 6782 1 487 . 1 1 44 44 TRP HB2 H 1 3.17 0.02 . 2 . . . . 44 TRP HB2 . 6782 1 488 . 1 1 44 44 TRP HB3 H 1 3.30 0.02 . 2 . . . . 44 TRP HB3 . 6782 1 489 . 1 1 44 44 TRP HD1 H 1 7.50 0.02 . 1 . . . . 44 TRP HD1 . 6782 1 490 . 1 1 44 44 TRP HE1 H 1 10.54 0.02 . 1 . . . . 44 TRP HE1 . 6782 1 491 . 1 1 44 44 TRP HE3 H 1 7.43 0.02 . 1 . . . . 44 TRP HE3 . 6782 1 492 . 1 1 44 44 TRP HZ2 H 1 7.77 0.02 . 1 . . . . 44 TRP HZ2 . 6782 1 493 . 1 1 44 44 TRP HZ3 H 1 6.96 0.02 . 1 . . . . 44 TRP HZ3 . 6782 1 494 . 1 1 44 44 TRP HH2 H 1 7.07 0.02 . 1 . . . . 44 TRP HH2 . 6782 1 495 . 1 1 44 44 TRP CA C 13 53.5 0.2 . 1 . . . . 44 TRP CA . 6782 1 496 . 1 1 44 44 TRP CB C 13 29.7 0.2 . 1 . . . . 44 TRP CB . 6782 1 497 . 1 1 44 44 TRP CD1 C 13 129.5 0.2 . 1 . . . . 44 TRP CD1 . 6782 1 498 . 1 1 44 44 TRP CE3 C 13 118.5 0.2 . 1 . . . . 44 TRP CE3 . 6782 1 499 . 1 1 44 44 TRP CZ2 C 13 115.3 0.2 . 1 . . . . 44 TRP CZ2 . 6782 1 500 . 1 1 44 44 TRP CZ3 C 13 122.8 0.2 . 1 . . . . 44 TRP CZ3 . 6782 1 501 . 1 1 44 44 TRP CH2 C 13 124.1 0.2 . 1 . . . . 44 TRP CH2 . 6782 1 502 . 1 1 44 44 TRP N N 15 132.5 0.2 . 1 . . . . 44 TRP N . 6782 1 503 . 1 1 44 44 TRP NE1 N 15 131.8 0.2 . 1 . . . . 44 TRP NE1 . 6782 1 504 . 1 1 45 45 PRO HA H 1 4.05 0.02 . 1 . . . . 45 PRO HA . 6782 1 505 . 1 1 45 45 PRO HB2 H 1 0.69 0.02 . 2 . . . . 45 PRO HB2 . 6782 1 506 . 1 1 45 45 PRO HB3 H 1 2.22 0.02 . 2 . . . . 45 PRO HB3 . 6782 1 507 . 1 1 45 45 PRO HG2 H 1 1.75 0.02 . 1 . . . . 45 PRO HG2 . 6782 1 508 . 1 1 45 45 PRO HG3 H 1 1.75 0.02 . 1 . . . . 45 PRO HG3 . 6782 1 509 . 1 1 45 45 PRO HD2 H 1 3.28 0.02 . 2 . . . . 45 PRO HD2 . 6782 1 510 . 1 1 45 45 PRO HD3 H 1 3.97 0.02 . 2 . . . . 45 PRO HD3 . 6782 1 511 . 1 1 45 45 PRO C C 13 175.6 0.2 . 1 . . . . 45 PRO C . 6782 1 512 . 1 1 45 45 PRO CA C 13 66.3 0.2 . 1 . . . . 45 PRO CA . 6782 1 513 . 1 1 45 45 PRO CB C 13 32.4 0.2 . 1 . . . . 45 PRO CB . 6782 1 514 . 1 1 45 45 PRO CG C 13 27.7 0.2 . 1 . . . . 45 PRO CG . 6782 1 515 . 1 1 45 45 PRO CD C 13 51.9 0.2 . 1 . . . . 45 PRO CD . 6782 1 516 . 1 1 46 46 THR H H 1 6.68 0.02 . 1 . . . . 46 THR H . 6782 1 517 . 1 1 46 46 THR HA H 1 4.98 0.02 . 1 . . . . 46 THR HA . 6782 1 518 . 1 1 46 46 THR HB H 1 4.83 0.02 . 1 . . . . 46 THR HB . 6782 1 519 . 1 1 46 46 THR HG21 H 1 1.36 0.02 . 1 . . . . 46 THR HG2 . 6782 1 520 . 1 1 46 46 THR HG22 H 1 1.36 0.02 . 1 . . . . 46 THR HG2 . 6782 1 521 . 1 1 46 46 THR HG23 H 1 1.36 0.02 . 1 . . . . 46 THR HG2 . 6782 1 522 . 1 1 46 46 THR C C 13 176.5 0.2 . 1 . . . . 46 THR C . 6782 1 523 . 1 1 46 46 THR CA C 13 60.9 0.2 . 1 . . . . 46 THR CA . 6782 1 524 . 1 1 46 46 THR CB C 13 75.8 0.2 . 1 . . . . 46 THR CB . 6782 1 525 . 1 1 46 46 THR CG2 C 13 24.2 0.2 . 1 . . . . 46 THR CG2 . 6782 1 526 . 1 1 46 46 THR N N 15 98.2 0.2 . 1 . . . . 46 THR N . 6782 1 527 . 1 1 47 47 SER H H 1 9.60 0.02 . 1 . . . . 47 SER H . 6782 1 528 . 1 1 47 47 SER HA H 1 4.20 0.02 . 1 . . . . 47 SER HA . 6782 1 529 . 1 1 47 47 SER HB2 H 1 3.85 0.02 . 2 . . . . 47 SER HB2 . 6782 1 530 . 1 1 47 47 SER HB3 H 1 3.98 0.02 . 2 . . . . 47 SER HB3 . 6782 1 531 . 1 1 47 47 SER C C 13 175.8 0.2 . 1 . . . . 47 SER C . 6782 1 532 . 1 1 47 47 SER CA C 13 62.2 0.2 . 1 . . . . 47 SER CA . 6782 1 533 . 1 1 47 47 SER CB C 13 62.1 0.2 . 1 . . . . 47 SER CB . 6782 1 534 . 1 1 47 47 SER N N 15 115.9 0.2 . 1 . . . . 47 SER N . 6782 1 535 . 1 1 48 48 GLU H H 1 7.94 0.02 . 1 . . . . 48 GLU H . 6782 1 536 . 1 1 48 48 GLU HA H 1 4.06 0.02 . 1 . . . . 48 GLU HA . 6782 1 537 . 1 1 48 48 GLU HB2 H 1 1.90 0.02 . 1 . . . . 48 GLU HB2 . 6782 1 538 . 1 1 48 48 GLU HB3 H 1 1.90 0.02 . 1 . . . . 48 GLU HB3 . 6782 1 539 . 1 1 48 48 GLU HG2 H 1 2.03 0.02 . 1 . . . . 48 GLU HG2 . 6782 1 540 . 1 1 48 48 GLU HG3 H 1 2.03 0.02 . 1 . . . . 48 GLU HG3 . 6782 1 541 . 1 1 48 48 GLU C C 13 178.4 0.2 . 1 . . . . 48 GLU C . 6782 1 542 . 1 1 48 48 GLU CA C 13 60.0 0.2 . 1 . . . . 48 GLU CA . 6782 1 543 . 1 1 48 48 GLU CB C 13 29.1 0.2 . 1 . . . . 48 GLU CB . 6782 1 544 . 1 1 48 48 GLU CG C 13 34.2 0.2 . 1 . . . . 48 GLU CG . 6782 1 545 . 1 1 48 48 GLU N N 15 124.4 0.2 . 1 . . . . 48 GLU N . 6782 1 546 . 1 1 49 49 HIS H H 1 8.37 0.02 . 1 . . . . 49 HIS H . 6782 1 547 . 1 1 49 49 HIS HA H 1 3.73 0.02 . 1 . . . . 49 HIS HA . 6782 1 548 . 1 1 49 49 HIS HB2 H 1 3.30 0.02 . 2 . . . . 49 HIS HB2 . 6782 1 549 . 1 1 49 49 HIS HB3 H 1 3.84 0.02 . 2 . . . . 49 HIS HB3 . 6782 1 550 . 1 1 49 49 HIS HD1 H 1 9.00 0.02 . 1 . . . . 49 HIS HD1 . 6782 1 551 . 1 1 49 49 HIS HD2 H 1 8.13 0.02 . 1 . . . . 49 HIS HD2 . 6782 1 552 . 1 1 49 49 HIS HE1 H 1 7.22 0.02 . 1 . . . . 49 HIS HE1 . 6782 1 553 . 1 1 49 49 HIS HE2 H 1 11.30 0.02 . 1 . . . . 49 HIS HE2 . 6782 1 554 . 1 1 49 49 HIS C C 13 176.6 0.2 . 1 . . . . 49 HIS C . 6782 1 555 . 1 1 49 49 HIS CA C 13 61.8 0.2 . 1 . . . . 49 HIS CA . 6782 1 556 . 1 1 49 49 HIS CB C 13 32.7 0.2 . 1 . . . . 49 HIS CB . 6782 1 557 . 1 1 49 49 HIS CD2 C 13 121.7 0.2 . 1 . . . . 49 HIS CD2 . 6782 1 558 . 1 1 49 49 HIS CE1 C 13 136.7 0.2 . 1 . . . . 49 HIS CE1 . 6782 1 559 . 1 1 49 49 HIS N N 15 116.5 0.2 . 1 . . . . 49 HIS N . 6782 1 560 . 1 1 49 49 HIS NE2 N 15 168.5 0.2 . 1 . . . . 49 HIS NE2 . 6782 1 561 . 1 1 50 50 TYR H H 1 7.19 0.02 . 1 . . . . 50 TYR H . 6782 1 562 . 1 1 50 50 TYR HA H 1 2.76 0.02 . 1 . . . . 50 TYR HA . 6782 1 563 . 1 1 50 50 TYR HB2 H 1 2.27 0.02 . 2 . . . . 50 TYR HB2 . 6782 1 564 . 1 1 50 50 TYR HB3 H 1 2.62 0.02 . 2 . . . . 50 TYR HB3 . 6782 1 565 . 1 1 50 50 TYR HD1 H 1 5.56 0.02 . 1 . . . . 50 TYR HD1 . 6782 1 566 . 1 1 50 50 TYR HD2 H 1 5.56 0.02 . 1 . . . . 50 TYR HD2 . 6782 1 567 . 1 1 50 50 TYR HE1 H 1 6.53 0.02 . 1 . . . . 50 TYR HE1 . 6782 1 568 . 1 1 50 50 TYR HE2 H 1 6.53 0.02 . 1 . . . . 50 TYR HE2 . 6782 1 569 . 1 1 50 50 TYR C C 13 175.6 0.2 . 1 . . . . 50 TYR C . 6782 1 570 . 1 1 50 50 TYR CA C 13 62.1 0.2 . 1 . . . . 50 TYR CA . 6782 1 571 . 1 1 50 50 TYR CB C 13 38.6 0.2 . 1 . . . . 50 TYR CB . 6782 1 572 . 1 1 50 50 TYR CD1 C 13 131.6 0.2 . 1 . . . . 50 TYR CD1 . 6782 1 573 . 1 1 50 50 TYR CD2 C 13 131.6 0.2 . 1 . . . . 50 TYR CD2 . 6782 1 574 . 1 1 50 50 TYR CE1 C 13 117.7 0.2 . 1 . . . . 50 TYR CE1 . 6782 1 575 . 1 1 50 50 TYR CE2 C 13 117.7 0.2 . 1 . . . . 50 TYR CE2 . 6782 1 576 . 1 1 50 50 TYR N N 15 115.1 0.2 . 1 . . . . 50 TYR N . 6782 1 577 . 1 1 51 51 PHE H H 1 8.26 0.02 . 1 . . . . 51 PHE H . 6782 1 578 . 1 1 51 51 PHE HA H 1 3.69 0.02 . 1 . . . . 51 PHE HA . 6782 1 579 . 1 1 51 51 PHE HB2 H 1 2.96 0.02 . 2 . . . . 51 PHE HB2 . 6782 1 580 . 1 1 51 51 PHE HB3 H 1 3.02 0.02 . 2 . . . . 51 PHE HB3 . 6782 1 581 . 1 1 51 51 PHE HD1 H 1 7.01 0.02 . 1 . . . . 51 PHE HD1 . 6782 1 582 . 1 1 51 51 PHE HD2 H 1 7.01 0.02 . 1 . . . . 51 PHE HD2 . 6782 1 583 . 1 1 51 51 PHE HE1 H 1 7.57 0.02 . 1 . . . . 51 PHE HE1 . 6782 1 584 . 1 1 51 51 PHE HE2 H 1 7.57 0.02 . 1 . . . . 51 PHE HE2 . 6782 1 585 . 1 1 51 51 PHE HZ H 1 7.85 0.02 . 1 . . . . 51 PHE HZ . 6782 1 586 . 1 1 51 51 PHE C C 13 175.5 0.2 . 1 . . . . 51 PHE C . 6782 1 587 . 1 1 51 51 PHE CA C 13 61.7 0.2 . 1 . . . . 51 PHE CA . 6782 1 588 . 1 1 51 51 PHE CB C 13 39.9 0.2 . 1 . . . . 51 PHE CB . 6782 1 589 . 1 1 51 51 PHE CD1 C 13 131.8 0.2 . 1 . . . . 51 PHE CD1 . 6782 1 590 . 1 1 51 51 PHE CD2 C 13 131.8 0.2 . 1 . . . . 51 PHE CD2 . 6782 1 591 . 1 1 51 51 PHE CE1 C 13 131.6 0.2 . 1 . . . . 51 PHE CE1 . 6782 1 592 . 1 1 51 51 PHE CE2 C 13 131.6 0.2 . 1 . . . . 51 PHE CE2 . 6782 1 593 . 1 1 51 51 PHE CZ C 13 130.9 0.2 . 1 . . . . 51 PHE CZ . 6782 1 594 . 1 1 51 51 PHE N N 15 117.9 0.2 . 1 . . . . 51 PHE N . 6782 1 595 . 1 1 52 52 GLN H H 1 8.33 0.02 . 1 . . . . 52 GLN H . 6782 1 596 . 1 1 52 52 GLN HA H 1 3.61 0.02 . 1 . . . . 52 GLN HA . 6782 1 597 . 1 1 52 52 GLN HB2 H 1 1.75 0.02 . 2 . . . . 52 GLN HB2 . 6782 1 598 . 1 1 52 52 GLN HB3 H 1 2.07 0.02 . 2 . . . . 52 GLN HB3 . 6782 1 599 . 1 1 52 52 GLN HG2 H 1 2.07 0.02 . 1 . . . . 52 GLN HG2 . 6782 1 600 . 1 1 52 52 GLN HG3 H 1 2.07 0.02 . 1 . . . . 52 GLN HG3 . 6782 1 601 . 1 1 52 52 GLN HE21 H 1 9.13 0.02 . 1 . . . . 52 GLN HE21 . 6782 1 602 . 1 1 52 52 GLN HE22 H 1 6.82 0.02 . 1 . . . . 52 GLN HE22 . 6782 1 603 . 1 1 52 52 GLN C C 13 178.5 0.2 . 1 . . . . 52 GLN C . 6782 1 604 . 1 1 52 52 GLN CA C 13 57.2 0.2 . 1 . . . . 52 GLN CA . 6782 1 605 . 1 1 52 52 GLN CB C 13 27.7 0.2 . 1 . . . . 52 GLN CB . 6782 1 606 . 1 1 52 52 GLN CG C 13 32.4 0.2 . 1 . . . . 52 GLN CG . 6782 1 607 . 1 1 52 52 GLN N N 15 111.7 0.2 . 1 . . . . 52 GLN N . 6782 1 608 . 1 1 52 52 GLN NE2 N 15 112.4 0.2 . 1 . . . . 52 GLN NE2 . 6782 1 609 . 1 1 53 53 ALA H H 1 7.71 0.02 . 1 . . . . 53 ALA H . 6782 1 610 . 1 1 53 53 ALA HA H 1 4.16 0.02 . 1 . . . . 53 ALA HA . 6782 1 611 . 1 1 53 53 ALA HB1 H 1 1.57 0.02 . 1 . . . . 53 ALA HB . 6782 1 612 . 1 1 53 53 ALA HB2 H 1 1.57 0.02 . 1 . . . . 53 ALA HB . 6782 1 613 . 1 1 53 53 ALA HB3 H 1 1.57 0.02 . 1 . . . . 53 ALA HB . 6782 1 614 . 1 1 53 53 ALA C C 13 179.1 0.2 . 1 . . . . 53 ALA C . 6782 1 615 . 1 1 53 53 ALA CA C 13 54.8 0.2 . 1 . . . . 53 ALA CA . 6782 1 616 . 1 1 53 53 ALA CB C 13 20.0 0.2 . 1 . . . . 53 ALA CB . 6782 1 617 . 1 1 53 53 ALA N N 15 115.5 0.2 . 1 . . . . 53 ALA N . 6782 1 618 . 1 1 54 54 GLN H H 1 7.10 0.02 . 1 . . . . 54 GLN H . 6782 1 619 . 1 1 54 54 GLN HA H 1 3.68 0.02 . 1 . . . . 54 GLN HA . 6782 1 620 . 1 1 54 54 GLN HB2 H 1 1.77 0.02 . 2 . . . . 54 GLN HB2 . 6782 1 621 . 1 1 54 54 GLN HB3 H 1 2.16 0.02 . 2 . . . . 54 GLN HB3 . 6782 1 622 . 1 1 54 54 GLN HG2 H 1 1.62 0.02 . 2 . . . . 54 GLN HG2 . 6782 1 623 . 1 1 54 54 GLN HG3 H 1 1.89 0.02 . 2 . . . . 54 GLN HG3 . 6782 1 624 . 1 1 54 54 GLN HE21 H 1 6.79 0.02 . 2 . . . . 54 GLN HE21 . 6782 1 625 . 1 1 54 54 GLN HE22 H 1 5.47 0.02 . 2 . . . . 54 GLN HE22 . 6782 1 626 . 1 1 54 54 GLN C C 13 175.4 0.2 . 1 . . . . 54 GLN C . 6782 1 627 . 1 1 54 54 GLN CA C 13 56.1 0.2 . 1 . . . . 54 GLN CA . 6782 1 628 . 1 1 54 54 GLN CB C 13 27.6 0.2 . 1 . . . . 54 GLN CB . 6782 1 629 . 1 1 54 54 GLN CG C 13 32.9 0.2 . 1 . . . . 54 GLN CG . 6782 1 630 . 1 1 54 54 GLN CD C 13 179.7 0.2 . 1 . . . . 54 GLN CD . 6782 1 631 . 1 1 54 54 GLN N N 15 110.1 0.2 . 1 . . . . 54 GLN N . 6782 1 632 . 1 1 54 54 GLN NE2 N 15 114.6 0.2 . 1 . . . . 54 GLN NE2 . 6782 1 633 . 1 1 55 55 LYS H H 1 6.49 0.02 . 1 . . . . 55 LYS H . 6782 1 634 . 1 1 55 55 LYS HA H 1 2.85 0.02 . 1 . . . . 55 LYS HA . 6782 1 635 . 1 1 55 55 LYS HB2 H 1 -0.29 0.02 . 2 . . . . 55 LYS HB2 . 6782 1 636 . 1 1 55 55 LYS HB3 H 1 0.37 0.02 . 2 . . . . 55 LYS HB3 . 6782 1 637 . 1 1 55 55 LYS HG2 H 1 -0.28 0.02 . 2 . . . . 55 LYS HG2 . 6782 1 638 . 1 1 55 55 LYS HG3 H 1 -0.86 0.02 . 2 . . . . 55 LYS HG3 . 6782 1 639 . 1 1 55 55 LYS HD2 H 1 0.70 0.02 . 2 . . . . 55 LYS HD2 . 6782 1 640 . 1 1 55 55 LYS HD3 H 1 1.27 0.02 . 2 . . . . 55 LYS HD3 . 6782 1 641 . 1 1 55 55 LYS HE2 H 1 2.32 0.02 . 2 . . . . 55 LYS HE2 . 6782 1 642 . 1 1 55 55 LYS HE3 H 1 2.48 0.02 . 2 . . . . 55 LYS HE3 . 6782 1 643 . 1 1 55 55 LYS C C 13 175.5 0.2 . 1 . . . . 55 LYS C . 6782 1 644 . 1 1 55 55 LYS CA C 13 57.9 0.2 . 1 . . . . 55 LYS CA . 6782 1 645 . 1 1 55 55 LYS CB C 13 31.4 0.2 . 1 . . . . 55 LYS CB . 6782 1 646 . 1 1 55 55 LYS CG C 13 22.9 0.2 . 1 . . . . 55 LYS CG . 6782 1 647 . 1 1 55 55 LYS CD C 13 29.4 0.2 . 1 . . . . 55 LYS CD . 6782 1 648 . 1 1 55 55 LYS CE C 13 42.3 0.2 . 1 . . . . 55 LYS CE . 6782 1 649 . 1 1 55 55 LYS N N 15 116.6 0.2 . 1 . . . . 55 LYS N . 6782 1 650 . 1 1 56 56 PHE H H 1 7.19 0.02 . 1 . . . . 56 PHE H . 6782 1 651 . 1 1 56 56 PHE HA H 1 4.74 0.02 . 1 . . . . 56 PHE HA . 6782 1 652 . 1 1 56 56 PHE HB2 H 1 2.84 0.02 . 2 . . . . 56 PHE HB2 . 6782 1 653 . 1 1 56 56 PHE HB3 H 1 3.48 0.02 . 2 . . . . 56 PHE HB3 . 6782 1 654 . 1 1 56 56 PHE HD1 H 1 7.24 0.02 . 1 . . . . 56 PHE HD1 . 6782 1 655 . 1 1 56 56 PHE HD2 H 1 7.24 0.02 . 1 . . . . 56 PHE HD2 . 6782 1 656 . 1 1 56 56 PHE HE1 H 1 7.29 0.02 . 1 . . . . 56 PHE HE1 . 6782 1 657 . 1 1 56 56 PHE HE2 H 1 7.29 0.02 . 1 . . . . 56 PHE HE2 . 6782 1 658 . 1 1 56 56 PHE HZ H 1 7.42 0.02 . 1 . . . . 56 PHE HZ . 6782 1 659 . 1 1 56 56 PHE C C 13 175.1 0.2 . 1 . . . . 56 PHE C . 6782 1 660 . 1 1 56 56 PHE CA C 13 58.2 0.2 . 1 . . . . 56 PHE CA . 6782 1 661 . 1 1 56 56 PHE CB C 13 40.8 0.2 . 1 . . . . 56 PHE CB . 6782 1 662 . 1 1 56 56 PHE CD1 C 13 132.6 0.2 . 1 . . . . 56 PHE CD1 . 6782 1 663 . 1 1 56 56 PHE CD2 C 13 132.6 0.2 . 1 . . . . 56 PHE CD2 . 6782 1 664 . 1 1 56 56 PHE CE1 C 13 132.6 0.2 . 1 . . . . 56 PHE CE1 . 6782 1 665 . 1 1 56 56 PHE CE2 C 13 132.6 0.2 . 1 . . . . 56 PHE CE2 . 6782 1 666 . 1 1 56 56 PHE CZ C 13 130.0 0.2 . 1 . . . . 56 PHE CZ . 6782 1 667 . 1 1 56 56 PHE N N 15 114.7 0.2 . 1 . . . . 56 PHE N . 6782 1 668 . 1 1 57 57 LEU H H 1 8.43 0.02 . 1 . . . . 57 LEU H . 6782 1 669 . 1 1 57 57 LEU HA H 1 4.20 0.02 . 1 . . . . 57 LEU HA . 6782 1 670 . 1 1 57 57 LEU HB2 H 1 1.64 0.02 . 1 . . . . 57 LEU HB2 . 6782 1 671 . 1 1 57 57 LEU HB3 H 1 1.64 0.02 . 1 . . . . 57 LEU HB3 . 6782 1 672 . 1 1 57 57 LEU HG H 1 1.52 0.02 . 1 . . . . 57 LEU HG . 6782 1 673 . 1 1 57 57 LEU HD11 H 1 0.98 0.02 . 1 . . . . 57 LEU HD1 . 6782 1 674 . 1 1 57 57 LEU HD12 H 1 0.98 0.02 . 1 . . . . 57 LEU HD1 . 6782 1 675 . 1 1 57 57 LEU HD13 H 1 0.98 0.02 . 1 . . . . 57 LEU HD1 . 6782 1 676 . 1 1 57 57 LEU HD21 H 1 0.93 0.02 . 1 . . . . 57 LEU HD2 . 6782 1 677 . 1 1 57 57 LEU HD22 H 1 0.93 0.02 . 1 . . . . 57 LEU HD2 . 6782 1 678 . 1 1 57 57 LEU HD23 H 1 0.93 0.02 . 1 . . . . 57 LEU HD2 . 6782 1 679 . 1 1 57 57 LEU C C 13 177.0 0.2 . 1 . . . . 57 LEU C . 6782 1 680 . 1 1 57 57 LEU CA C 13 55.8 0.2 . 1 . . . . 57 LEU CA . 6782 1 681 . 1 1 57 57 LEU CB C 13 43.0 0.2 . 1 . . . . 57 LEU CB . 6782 1 682 . 1 1 57 57 LEU CG C 13 27.3 0.2 . 1 . . . . 57 LEU CG . 6782 1 683 . 1 1 57 57 LEU CD1 C 13 25.4 0.2 . 1 . . . . 57 LEU CD1 . 6782 1 684 . 1 1 57 57 LEU CD2 C 13 23.5 0.2 . 1 . . . . 57 LEU CD2 . 6782 1 685 . 1 1 57 57 LEU N N 15 122.2 0.2 . 1 . . . . 57 LEU N . 6782 1 686 . 1 1 58 58 ASP H H 1 7.83 0.02 . 1 . . . . 58 ASP H . 6782 1 687 . 1 1 58 58 ASP HA H 1 4.70 0.02 . 1 . . . . 58 ASP HA . 6782 1 688 . 1 1 58 58 ASP HB2 H 1 2.72 0.02 . 2 . . . . 58 ASP HB2 . 6782 1 689 . 1 1 58 58 ASP HB3 H 1 2.82 0.02 . 2 . . . . 58 ASP HB3 . 6782 1 690 . 1 1 58 58 ASP C C 13 176.3 0.2 . 1 . . . . 58 ASP C . 6782 1 691 . 1 1 58 58 ASP CA C 13 54.0 0.2 . 1 . . . . 58 ASP CA . 6782 1 692 . 1 1 58 58 ASP CB C 13 42.2 0.2 . 1 . . . . 58 ASP CB . 6782 1 693 . 1 1 58 58 ASP N N 15 118.1 0.2 . 1 . . . . 58 ASP N . 6782 1 694 . 1 1 59 59 GLU H H 1 9.18 0.02 . 1 . . . . 59 GLU H . 6782 1 695 . 1 1 59 59 GLU HA H 1 3.92 0.02 . 1 . . . . 59 GLU HA . 6782 1 696 . 1 1 59 59 GLU HB2 H 1 2.12 0.02 . 2 . . . . 59 GLU HB2 . 6782 1 697 . 1 1 59 59 GLU HB3 H 1 2.18 0.02 . 2 . . . . 59 GLU HB3 . 6782 1 698 . 1 1 59 59 GLU HG2 H 1 2.41 0.02 . 1 . . . . 59 GLU HG2 . 6782 1 699 . 1 1 59 59 GLU HG3 H 1 2.41 0.02 . 1 . . . . 59 GLU HG3 . 6782 1 700 . 1 1 59 59 GLU C C 13 178.2 0.2 . 1 . . . . 59 GLU C . 6782 1 701 . 1 1 59 59 GLU CA C 13 59.7 0.2 . 1 . . . . 59 GLU CA . 6782 1 702 . 1 1 59 59 GLU CB C 13 29.7 0.2 . 1 . . . . 59 GLU CB . 6782 1 703 . 1 1 59 59 GLU CG C 13 35.9 0.2 . 1 . . . . 59 GLU CG . 6782 1 704 . 1 1 59 59 GLU N N 15 129.1 0.2 . 1 . . . . 59 GLU N . 6782 1 705 . 1 1 60 60 LYS H H 1 8.44 0.02 . 1 . . . . 60 LYS H . 6782 1 706 . 1 1 60 60 LYS HA H 1 4.05 0.02 . 1 . . . . 60 LYS HA . 6782 1 707 . 1 1 60 60 LYS HB2 H 1 1.87 0.02 . 2 . . . . 60 LYS HB2 . 6782 1 708 . 1 1 60 60 LYS HB3 H 1 2.00 0.02 . 2 . . . . 60 LYS HB3 . 6782 1 709 . 1 1 60 60 LYS HG2 H 1 1.39 0.02 . 2 . . . . 60 LYS HG2 . 6782 1 710 . 1 1 60 60 LYS HG3 H 1 1.52 0.02 . 2 . . . . 60 LYS HG3 . 6782 1 711 . 1 1 60 60 LYS HD2 H 1 1.72 0.02 . 1 . . . . 60 LYS HD2 . 6782 1 712 . 1 1 60 60 LYS HD3 H 1 1.72 0.02 . 1 . . . . 60 LYS HD3 . 6782 1 713 . 1 1 60 60 LYS HE2 H 1 3.02 0.02 . 1 . . . . 60 LYS HE2 . 6782 1 714 . 1 1 60 60 LYS HE3 H 1 3.02 0.02 . 1 . . . . 60 LYS HE3 . 6782 1 715 . 1 1 60 60 LYS C C 13 179.5 0.2 . 1 . . . . 60 LYS C . 6782 1 716 . 1 1 60 60 LYS CA C 13 59.6 0.2 . 1 . . . . 60 LYS CA . 6782 1 717 . 1 1 60 60 LYS CB C 13 31.6 0.2 . 1 . . . . 60 LYS CB . 6782 1 718 . 1 1 60 60 LYS CG C 13 25.1 0.2 . 1 . . . . 60 LYS CG . 6782 1 719 . 1 1 60 60 LYS CD C 13 29.1 0.2 . 1 . . . . 60 LYS CD . 6782 1 720 . 1 1 60 60 LYS CE C 13 42.0 0.2 . 1 . . . . 60 LYS CE . 6782 1 721 . 1 1 60 60 LYS N N 15 118.3 0.2 . 1 . . . . 60 LYS N . 6782 1 722 . 1 1 61 61 TYR H H 1 7.57 0.02 . 1 . . . . 61 TYR H . 6782 1 723 . 1 1 61 61 TYR HA H 1 4.45 0.02 . 1 . . . . 61 TYR HA . 6782 1 724 . 1 1 61 61 TYR HB2 H 1 2.64 0.02 . 2 . . . . 61 TYR HB2 . 6782 1 725 . 1 1 61 61 TYR HB3 H 1 3.04 0.02 . 2 . . . . 61 TYR HB3 . 6782 1 726 . 1 1 61 61 TYR HD1 H 1 6.59 0.02 . 1 . . . . 61 TYR HD1 . 6782 1 727 . 1 1 61 61 TYR HD2 H 1 6.59 0.02 . 1 . . . . 61 TYR HD2 . 6782 1 728 . 1 1 61 61 TYR HE1 H 1 6.07 0.02 . 1 . . . . 61 TYR HE1 . 6782 1 729 . 1 1 61 61 TYR HE2 H 1 6.07 0.02 . 1 . . . . 61 TYR HE2 . 6782 1 730 . 1 1 61 61 TYR C C 13 177.8 0.2 . 1 . . . . 61 TYR C . 6782 1 731 . 1 1 61 61 TYR CA C 13 60.4 0.2 . 1 . . . . 61 TYR CA . 6782 1 732 . 1 1 61 61 TYR CB C 13 38.5 0.2 . 1 . . . . 61 TYR CB . 6782 1 733 . 1 1 61 61 TYR CD1 C 13 132.6 0.2 . 1 . . . . 61 TYR CD1 . 6782 1 734 . 1 1 61 61 TYR CD2 C 13 132.6 0.2 . 1 . . . . 61 TYR CD2 . 6782 1 735 . 1 1 61 61 TYR CE1 C 13 117.7 0.2 . 1 . . . . 61 TYR CE1 . 6782 1 736 . 1 1 61 61 TYR CE2 C 13 117.7 0.2 . 1 . . . . 61 TYR CE2 . 6782 1 737 . 1 1 61 61 TYR N N 15 120.8 0.2 . 1 . . . . 61 TYR N . 6782 1 738 . 1 1 62 62 ARG H H 1 7.91 0.02 . 1 . . . . 62 ARG H . 6782 1 739 . 1 1 62 62 ARG HA H 1 3.92 0.02 . 1 . . . . 62 ARG HA . 6782 1 740 . 1 1 62 62 ARG HB2 H 1 1.88 0.02 . 2 . . . . 62 ARG HB2 . 6782 1 741 . 1 1 62 62 ARG HB3 H 1 2.39 0.02 . 2 . . . . 62 ARG HB3 . 6782 1 742 . 1 1 62 62 ARG HG2 H 1 2.13 0.02 . 1 . . . . 62 ARG HG2 . 6782 1 743 . 1 1 62 62 ARG HG3 H 1 2.13 0.02 . 1 . . . . 62 ARG HG3 . 6782 1 744 . 1 1 62 62 ARG HD2 H 1 3.05 0.02 . 2 . . . . 62 ARG HD2 . 6782 1 745 . 1 1 62 62 ARG HD3 H 1 3.45 0.02 . 2 . . . . 62 ARG HD3 . 6782 1 746 . 1 1 62 62 ARG C C 13 178.5 0.2 . 1 . . . . 62 ARG C . 6782 1 747 . 1 1 62 62 ARG CA C 13 61.6 0.2 . 1 . . . . 62 ARG CA . 6782 1 748 . 1 1 62 62 ARG CB C 13 31.1 0.2 . 1 . . . . 62 ARG CB . 6782 1 749 . 1 1 62 62 ARG CG C 13 27.4 0.2 . 1 . . . . 62 ARG CG . 6782 1 750 . 1 1 62 62 ARG CD C 13 44.9 0.2 . 1 . . . . 62 ARG CD . 6782 1 751 . 1 1 62 62 ARG N N 15 116.5 0.2 . 1 . . . . 62 ARG N . 6782 1 752 . 1 1 63 63 GLU H H 1 7.86 0.02 . 1 . . . . 63 GLU H . 6782 1 753 . 1 1 63 63 GLU HA H 1 4.15 0.02 . 1 . . . . 63 GLU HA . 6782 1 754 . 1 1 63 63 GLU HB2 H 1 1.95 0.02 . 2 . . . . 63 GLU HB2 . 6782 1 755 . 1 1 63 63 GLU HB3 H 1 2.13 0.02 . 2 . . . . 63 GLU HB3 . 6782 1 756 . 1 1 63 63 GLU HG2 H 1 2.28 0.02 . 2 . . . . 63 GLU HG2 . 6782 1 757 . 1 1 63 63 GLU HG3 H 1 2.46 0.02 . 2 . . . . 63 GLU HG3 . 6782 1 758 . 1 1 63 63 GLU C C 13 178.2 0.2 . 1 . . . . 63 GLU C . 6782 1 759 . 1 1 63 63 GLU CA C 13 57.7 0.2 . 1 . . . . 63 GLU CA . 6782 1 760 . 1 1 63 63 GLU CB C 13 30.0 0.2 . 1 . . . . 63 GLU CB . 6782 1 761 . 1 1 63 63 GLU CG C 13 36.3 0.2 . 1 . . . . 63 GLU CG . 6782 1 762 . 1 1 63 63 GLU N N 15 116.6 0.2 . 1 . . . . 63 GLU N . 6782 1 763 . 1 1 64 64 GLU H H 1 7.62 0.02 . 1 . . . . 64 GLU H . 6782 1 764 . 1 1 64 64 GLU HA H 1 3.86 0.02 . 1 . . . . 64 GLU HA . 6782 1 765 . 1 1 64 64 GLU HB2 H 1 1.88 0.02 . 2 . . . . 64 GLU HB2 . 6782 1 766 . 1 1 64 64 GLU HB3 H 1 2.10 0.02 . 2 . . . . 64 GLU HB3 . 6782 1 767 . 1 1 64 64 GLU HG2 H 1 2.18 0.02 . 2 . . . . 64 GLU HG2 . 6782 1 768 . 1 1 64 64 GLU HG3 H 1 2.46 0.02 . 2 . . . . 64 GLU HG3 . 6782 1 769 . 1 1 64 64 GLU C C 13 179.6 0.2 . 1 . . . . 64 GLU C . 6782 1 770 . 1 1 64 64 GLU CA C 13 59.6 0.2 . 1 . . . . 64 GLU CA . 6782 1 771 . 1 1 64 64 GLU CB C 13 29.1 0.2 . 1 . . . . 64 GLU CB . 6782 1 772 . 1 1 64 64 GLU CG C 13 36.7 0.2 . 1 . . . . 64 GLU CG . 6782 1 773 . 1 1 64 64 GLU N N 15 120.2 0.2 . 1 . . . . 64 GLU N . 6782 1 774 . 1 1 65 65 ILE H H 1 7.59 0.02 . 1 . . . . 65 ILE H . 6782 1 775 . 1 1 65 65 ILE HA H 1 3.62 0.02 . 1 . . . . 65 ILE HA . 6782 1 776 . 1 1 65 65 ILE HB H 1 2.00 0.02 . 1 . . . . 65 ILE HB . 6782 1 777 . 1 1 65 65 ILE HG12 H 1 0.77 0.02 . 2 . . . . 65 ILE HG12 . 6782 1 778 . 1 1 65 65 ILE HG13 H 1 1.30 0.02 . 2 . . . . 65 ILE HG13 . 6782 1 779 . 1 1 65 65 ILE HG21 H 1 1.04 0.02 . 1 . . . . 65 ILE HG2 . 6782 1 780 . 1 1 65 65 ILE HG22 H 1 1.04 0.02 . 1 . . . . 65 ILE HG2 . 6782 1 781 . 1 1 65 65 ILE HG23 H 1 1.04 0.02 . 1 . . . . 65 ILE HG2 . 6782 1 782 . 1 1 65 65 ILE HD11 H 1 0.54 0.02 . 1 . . . . 65 ILE HD1 . 6782 1 783 . 1 1 65 65 ILE HD12 H 1 0.54 0.02 . 1 . . . . 65 ILE HD1 . 6782 1 784 . 1 1 65 65 ILE HD13 H 1 0.54 0.02 . 1 . . . . 65 ILE HD1 . 6782 1 785 . 1 1 65 65 ILE C C 13 177.0 0.2 . 1 . . . . 65 ILE C . 6782 1 786 . 1 1 65 65 ILE CA C 13 65.3 0.2 . 1 . . . . 65 ILE CA . 6782 1 787 . 1 1 65 65 ILE CB C 13 38.0 0.2 . 1 . . . . 65 ILE CB . 6782 1 788 . 1 1 65 65 ILE CG1 C 13 29.0 0.2 . 1 . . . . 65 ILE CG1 . 6782 1 789 . 1 1 65 65 ILE CG2 C 13 17.9 0.2 . 1 . . . . 65 ILE CG2 . 6782 1 790 . 1 1 65 65 ILE CD1 C 13 14.3 0.2 . 1 . . . . 65 ILE CD1 . 6782 1 791 . 1 1 65 65 ILE N N 15 118.7 0.2 . 1 . . . . 65 ILE N . 6782 1 792 . 1 1 66 66 ARG H H 1 8.08 0.02 . 1 . . . . 66 ARG H . 6782 1 793 . 1 1 66 66 ARG HA H 1 3.68 0.02 . 1 . . . . 66 ARG HA . 6782 1 794 . 1 1 66 66 ARG HB2 H 1 1.34 0.02 . 2 . . . . 66 ARG HB2 . 6782 1 795 . 1 1 66 66 ARG HB3 H 1 1.76 0.02 . 2 . . . . 66 ARG HB3 . 6782 1 796 . 1 1 66 66 ARG HG2 H 1 0.52 0.02 . 2 . . . . 66 ARG HG2 . 6782 1 797 . 1 1 66 66 ARG HG3 H 1 1.38 0.02 . 2 . . . . 66 ARG HG3 . 6782 1 798 . 1 1 66 66 ARG HD2 H 1 0.89 0.02 . 2 . . . . 66 ARG HD2 . 6782 1 799 . 1 1 66 66 ARG HD3 H 1 1.94 0.02 . 2 . . . . 66 ARG HD3 . 6782 1 800 . 1 1 66 66 ARG HE H 1 8.66 0.02 . 1 . . . . 66 ARG HE . 6782 1 801 . 1 1 66 66 ARG C C 13 176.0 0.2 . 1 . . . . 66 ARG C . 6782 1 802 . 1 1 66 66 ARG CA C 13 60.5 0.2 . 1 . . . . 66 ARG CA . 6782 1 803 . 1 1 66 66 ARG CB C 13 31.3 0.2 . 1 . . . . 66 ARG CB . 6782 1 804 . 1 1 66 66 ARG CG C 13 28.9 0.2 . 1 . . . . 66 ARG CG . 6782 1 805 . 1 1 66 66 ARG CD C 13 41.8 0.2 . 1 . . . . 66 ARG CD . 6782 1 806 . 1 1 66 66 ARG CZ C 13 159.4 0.2 . 1 . . . . 66 ARG CZ . 6782 1 807 . 1 1 66 66 ARG N N 15 118.5 0.2 . 1 . . . . 66 ARG N . 6782 1 808 . 1 1 66 66 ARG NE N 15 82.2 0.2 . 1 . . . . 66 ARG NE . 6782 1 809 . 1 1 67 67 ARG H H 1 7.19 0.02 . 1 . . . . 67 ARG H . 6782 1 810 . 1 1 67 67 ARG HA H 1 4.00 0.02 . 1 . . . . 67 ARG HA . 6782 1 811 . 1 1 67 67 ARG HB2 H 1 1.76 0.02 . 2 . . . . 67 ARG HB2 . 6782 1 812 . 1 1 67 67 ARG HB3 H 1 1.91 0.02 . 2 . . . . 67 ARG HB3 . 6782 1 813 . 1 1 67 67 ARG HG2 H 1 1.59 0.02 . 2 . . . . 67 ARG HG2 . 6782 1 814 . 1 1 67 67 ARG HG3 H 1 1.76 0.02 . 2 . . . . 67 ARG HG3 . 6782 1 815 . 1 1 67 67 ARG HD2 H 1 3.12 0.02 . 1 . . . . 67 ARG HD2 . 6782 1 816 . 1 1 67 67 ARG HD3 H 1 3.12 0.02 . 1 . . . . 67 ARG HD3 . 6782 1 817 . 1 1 67 67 ARG HE H 1 7.34 0.02 . 1 . . . . 67 ARG HE . 6782 1 818 . 1 1 67 67 ARG C C 13 177.4 0.2 . 1 . . . . 67 ARG C . 6782 1 819 . 1 1 67 67 ARG CA C 13 56.8 0.2 . 1 . . . . 67 ARG CA . 6782 1 820 . 1 1 67 67 ARG CB C 13 31.3 0.2 . 1 . . . . 67 ARG CB . 6782 1 821 . 1 1 67 67 ARG CG C 13 27.8 0.2 . 1 . . . . 67 ARG CG . 6782 1 822 . 1 1 67 67 ARG CD C 13 43.6 0.2 . 1 . . . . 67 ARG CD . 6782 1 823 . 1 1 67 67 ARG CZ C 13 159.5 0.2 . 1 . . . . 67 ARG CZ . 6782 1 824 . 1 1 67 67 ARG N N 15 110.1 0.2 . 1 . . . . 67 ARG N . 6782 1 825 . 1 1 67 67 ARG NE N 15 85.2 0.2 . 1 . . . . 67 ARG NE . 6782 1 826 . 1 1 68 68 VAL H H 1 7.50 0.02 . 1 . . . . 68 VAL H . 6782 1 827 . 1 1 68 68 VAL HA H 1 4.41 0.02 . 1 . . . . 68 VAL HA . 6782 1 828 . 1 1 68 68 VAL HB H 1 2.30 0.02 . 1 . . . . 68 VAL HB . 6782 1 829 . 1 1 68 68 VAL HG11 H 1 1.13 0.02 . 1 . . . . 68 VAL HG1 . 6782 1 830 . 1 1 68 68 VAL HG12 H 1 1.13 0.02 . 1 . . . . 68 VAL HG1 . 6782 1 831 . 1 1 68 68 VAL HG13 H 1 1.13 0.02 . 1 . . . . 68 VAL HG1 . 6782 1 832 . 1 1 68 68 VAL HG21 H 1 1.18 0.02 . 1 . . . . 68 VAL HG2 . 6782 1 833 . 1 1 68 68 VAL HG22 H 1 1.18 0.02 . 1 . . . . 68 VAL HG2 . 6782 1 834 . 1 1 68 68 VAL HG23 H 1 1.18 0.02 . 1 . . . . 68 VAL HG2 . 6782 1 835 . 1 1 68 68 VAL C C 13 177.2 0.2 . 1 . . . . 68 VAL C . 6782 1 836 . 1 1 68 68 VAL CA C 13 61.5 0.2 . 1 . . . . 68 VAL CA . 6782 1 837 . 1 1 68 68 VAL CB C 13 32.5 0.2 . 1 . . . . 68 VAL CB . 6782 1 838 . 1 1 68 68 VAL CG1 C 13 21.6 0.2 . 1 . . . . 68 VAL CG1 . 6782 1 839 . 1 1 68 68 VAL CG2 C 13 20.0 0.2 . 1 . . . . 68 VAL CG2 . 6782 1 840 . 1 1 68 68 VAL N N 15 118.6 0.2 . 1 . . . . 68 VAL N . 6782 1 841 . 1 1 69 69 SER H H 1 8.63 0.02 . 1 . . . . 69 SER H . 6782 1 842 . 1 1 69 69 SER HA H 1 4.23 0.02 . 1 . . . . 69 SER HA . 6782 1 843 . 1 1 69 69 SER HB2 H 1 3.94 0.02 . 1 . . . . 69 SER HB2 . 6782 1 844 . 1 1 69 69 SER HB3 H 1 3.94 0.02 . 1 . . . . 69 SER HB3 . 6782 1 845 . 1 1 69 69 SER C C 13 175.7 0.2 . 1 . . . . 69 SER C . 6782 1 846 . 1 1 69 69 SER CA C 13 61.4 0.2 . 1 . . . . 69 SER CA . 6782 1 847 . 1 1 69 69 SER CB C 13 63.3 0.2 . 1 . . . . 69 SER CB . 6782 1 848 . 1 1 69 69 SER N N 15 119.8 0.2 . 1 . . . . 69 SER N . 6782 1 849 . 1 1 70 70 SER H H 1 7.88 0.02 . 1 . . . . 70 SER H . 6782 1 850 . 1 1 70 70 SER HA H 1 5.15 0.02 . 1 . . . . 70 SER HA . 6782 1 851 . 1 1 70 70 SER HB2 H 1 3.82 0.02 . 2 . . . . 70 SER HB2 . 6782 1 852 . 1 1 70 70 SER HB3 H 1 4.17 0.02 . 2 . . . . 70 SER HB3 . 6782 1 853 . 1 1 70 70 SER CA C 13 54.3 0.2 . 1 . . . . 70 SER CA . 6782 1 854 . 1 1 70 70 SER CB C 13 64.3 0.2 . 1 . . . . 70 SER CB . 6782 1 855 . 1 1 70 70 SER N N 15 114.4 0.2 . 1 . . . . 70 SER N . 6782 1 856 . 1 1 71 71 PRO HA H 1 3.81 0.02 . 1 . . . . 71 PRO HA . 6782 1 857 . 1 1 71 71 PRO HB2 H 1 1.46 0.02 . 2 . . . . 71 PRO HB2 . 6782 1 858 . 1 1 71 71 PRO HB3 H 1 2.41 0.02 . 2 . . . . 71 PRO HB3 . 6782 1 859 . 1 1 71 71 PRO HG2 H 1 2.12 0.02 . 2 . . . . 71 PRO HG2 . 6782 1 860 . 1 1 71 71 PRO HG3 H 1 2.85 0.02 . 2 . . . . 71 PRO HG3 . 6782 1 861 . 1 1 71 71 PRO HD2 H 1 4.04 0.02 . 2 . . . . 71 PRO HD2 . 6782 1 862 . 1 1 71 71 PRO HD3 H 1 4.37 0.02 . 2 . . . . 71 PRO HD3 . 6782 1 863 . 1 1 71 71 PRO C C 13 176.6 0.2 . 1 . . . . 71 PRO C . 6782 1 864 . 1 1 71 71 PRO CA C 13 64.2 0.2 . 1 . . . . 71 PRO CA . 6782 1 865 . 1 1 71 71 PRO CB C 13 30.8 0.2 . 1 . . . . 71 PRO CB . 6782 1 866 . 1 1 71 71 PRO CG C 13 27.1 0.2 . 1 . . . . 71 PRO CG . 6782 1 867 . 1 1 71 71 PRO CD C 13 51.1 0.2 . 1 . . . . 71 PRO CD . 6782 1 868 . 1 1 72 72 MET H H 1 7.49 0.02 . 1 . . . . 72 MET H . 6782 1 869 . 1 1 72 72 MET HA H 1 4.12 0.02 . 1 . . . . 72 MET HA . 6782 1 870 . 1 1 72 72 MET HB2 H 1 2.03 0.02 . 1 . . . . 72 MET HB2 . 6782 1 871 . 1 1 72 72 MET HB3 H 1 2.03 0.02 . 1 . . . . 72 MET HB3 . 6782 1 872 . 1 1 72 72 MET HG2 H 1 2.54 0.02 . 1 . . . . 72 MET HG2 . 6782 1 873 . 1 1 72 72 MET HG3 H 1 2.54 0.02 . 1 . . . . 72 MET HG3 . 6782 1 874 . 1 1 72 72 MET HE1 H 1 2.07 0.02 . 1 . . . . 72 MET HE . 6782 1 875 . 1 1 72 72 MET HE2 H 1 2.07 0.02 . 1 . . . . 72 MET HE . 6782 1 876 . 1 1 72 72 MET HE3 H 1 2.07 0.02 . 1 . . . . 72 MET HE . 6782 1 877 . 1 1 72 72 MET C C 13 179.2 0.2 . 1 . . . . 72 MET C . 6782 1 878 . 1 1 72 72 MET CA C 13 58.8 0.2 . 1 . . . . 72 MET CA . 6782 1 879 . 1 1 72 72 MET CB C 13 32.0 0.2 . 1 . . . . 72 MET CB . 6782 1 880 . 1 1 72 72 MET CG C 13 32.9 0.2 . 1 . . . . 72 MET CG . 6782 1 881 . 1 1 72 72 MET CE C 13 17.3 0.2 . 1 . . . . 72 MET CE . 6782 1 882 . 1 1 72 72 MET N N 15 118.8 0.2 . 1 . . . . 72 MET N . 6782 1 883 . 1 1 73 73 VAL H H 1 7.13 0.02 . 1 . . . . 73 VAL H . 6782 1 884 . 1 1 73 73 VAL HA H 1 3.59 0.02 . 1 . . . . 73 VAL HA . 6782 1 885 . 1 1 73 73 VAL HB H 1 2.12 0.02 . 1 . . . . 73 VAL HB . 6782 1 886 . 1 1 73 73 VAL HG11 H 1 1.06 0.02 . 2 . . . . 73 VAL HG1 . 6782 1 887 . 1 1 73 73 VAL HG12 H 1 1.06 0.02 . 2 . . . . 73 VAL HG1 . 6782 1 888 . 1 1 73 73 VAL HG13 H 1 1.06 0.02 . 2 . . . . 73 VAL HG1 . 6782 1 889 . 1 1 73 73 VAL HG21 H 1 1.06 0.02 . 2 . . . . 73 VAL HG2 . 6782 1 890 . 1 1 73 73 VAL HG22 H 1 1.06 0.02 . 2 . . . . 73 VAL HG2 . 6782 1 891 . 1 1 73 73 VAL HG23 H 1 1.06 0.02 . 2 . . . . 73 VAL HG2 . 6782 1 892 . 1 1 73 73 VAL C C 13 177.9 0.2 . 1 . . . . 73 VAL C . 6782 1 893 . 1 1 73 73 VAL CA C 13 65.9 0.2 . 1 . . . . 73 VAL CA . 6782 1 894 . 1 1 73 73 VAL CB C 13 31.4 0.2 . 1 . . . . 73 VAL CB . 6782 1 895 . 1 1 73 73 VAL CG1 C 13 22.4 0.2 . 1 . . . . 73 VAL CG1 . 6782 1 896 . 1 1 73 73 VAL CG2 C 13 22.4 0.2 . 1 . . . . 73 VAL CG2 . 6782 1 897 . 1 1 73 73 VAL N N 15 121.8 0.2 . 1 . . . . 73 VAL N . 6782 1 898 . 1 1 74 74 ALA H H 1 7.59 0.02 . 1 . . . . 74 ALA H . 6782 1 899 . 1 1 74 74 ALA HA H 1 3.78 0.02 . 1 . . . . 74 ALA HA . 6782 1 900 . 1 1 74 74 ALA HB1 H 1 0.70 0.02 . 1 . . . . 74 ALA HB . 6782 1 901 . 1 1 74 74 ALA HB2 H 1 0.70 0.02 . 1 . . . . 74 ALA HB . 6782 1 902 . 1 1 74 74 ALA HB3 H 1 0.70 0.02 . 1 . . . . 74 ALA HB . 6782 1 903 . 1 1 74 74 ALA C C 13 178.8 0.2 . 1 . . . . 74 ALA C . 6782 1 904 . 1 1 74 74 ALA CA C 13 55.6 0.2 . 1 . . . . 74 ALA CA . 6782 1 905 . 1 1 74 74 ALA CB C 13 16.8 0.2 . 1 . . . . 74 ALA CB . 6782 1 906 . 1 1 74 74 ALA N N 15 122.7 0.2 . 1 . . . . 74 ALA N . 6782 1 907 . 1 1 75 75 ALA H H 1 8.06 0.02 . 1 . . . . 75 ALA H . 6782 1 908 . 1 1 75 75 ALA HA H 1 3.94 0.02 . 1 . . . . 75 ALA HA . 6782 1 909 . 1 1 75 75 ALA HB1 H 1 1.64 0.02 . 1 . . . . 75 ALA HB . 6782 1 910 . 1 1 75 75 ALA HB2 H 1 1.64 0.02 . 1 . . . . 75 ALA HB . 6782 1 911 . 1 1 75 75 ALA HB3 H 1 1.64 0.02 . 1 . . . . 75 ALA HB . 6782 1 912 . 1 1 75 75 ALA C C 13 179.8 0.2 . 1 . . . . 75 ALA C . 6782 1 913 . 1 1 75 75 ALA CA C 13 55.3 0.2 . 1 . . . . 75 ALA CA . 6782 1 914 . 1 1 75 75 ALA CB C 13 17.7 0.2 . 1 . . . . 75 ALA CB . 6782 1 915 . 1 1 75 75 ALA N N 15 117.8 0.2 . 1 . . . . 75 ALA N . 6782 1 916 . 1 1 76 76 ARG H H 1 7.52 0.02 . 1 . . . . 76 ARG H . 6782 1 917 . 1 1 76 76 ARG HA H 1 4.01 0.02 . 1 . . . . 76 ARG HA . 6782 1 918 . 1 1 76 76 ARG HB2 H 1 1.99 0.02 . 2 . . . . 76 ARG HB2 . 6782 1 919 . 1 1 76 76 ARG HB3 H 1 2.07 0.02 . 2 . . . . 76 ARG HB3 . 6782 1 920 . 1 1 76 76 ARG HG2 H 1 1.65 0.02 . 2 . . . . 76 ARG HG2 . 6782 1 921 . 1 1 76 76 ARG HG3 H 1 1.81 0.02 . 2 . . . . 76 ARG HG3 . 6782 1 922 . 1 1 76 76 ARG HD2 H 1 3.24 0.02 . 1 . . . . 76 ARG HD2 . 6782 1 923 . 1 1 76 76 ARG HD3 H 1 3.24 0.02 . 1 . . . . 76 ARG HD3 . 6782 1 924 . 1 1 76 76 ARG CA C 13 59.8 0.2 . 1 . . . . 76 ARG CA . 6782 1 925 . 1 1 76 76 ARG CB C 13 29.9 0.2 . 1 . . . . 76 ARG CB . 6782 1 926 . 1 1 76 76 ARG CG C 13 27.2 0.2 . 1 . . . . 76 ARG CG . 6782 1 927 . 1 1 76 76 ARG CD C 13 43.8 0.2 . 1 . . . . 76 ARG CD . 6782 1 928 . 1 1 76 76 ARG N N 15 119.3 0.2 . 1 . . . . 76 ARG N . 6782 1 929 . 1 1 77 77 MET H H 1 8.81 0.02 . 1 . . . . 77 MET H . 6782 1 930 . 1 1 77 77 MET HA H 1 4.02 0.02 . 1 . . . . 77 MET HA . 6782 1 931 . 1 1 77 77 MET HB2 H 1 2.11 0.02 . 1 . . . . 77 MET HB2 . 6782 1 932 . 1 1 77 77 MET HB3 H 1 2.11 0.02 . 1 . . . . 77 MET HB3 . 6782 1 933 . 1 1 77 77 MET HG2 H 1 2.41 0.02 . 2 . . . . 77 MET HG2 . 6782 1 934 . 1 1 77 77 MET HG3 H 1 2.81 0.02 . 2 . . . . 77 MET HG3 . 6782 1 935 . 1 1 77 77 MET HE1 H 1 1.79 0.02 . 1 . . . . 77 MET HE . 6782 1 936 . 1 1 77 77 MET HE2 H 1 1.79 0.02 . 1 . . . . 77 MET HE . 6782 1 937 . 1 1 77 77 MET HE3 H 1 1.79 0.02 . 1 . . . . 77 MET HE . 6782 1 938 . 1 1 77 77 MET C C 13 180.2 0.2 . 1 . . . . 77 MET C . 6782 1 939 . 1 1 77 77 MET CA C 13 59.6 0.2 . 1 . . . . 77 MET CA . 6782 1 940 . 1 1 77 77 MET CB C 13 33.4 0.2 . 1 . . . . 77 MET CB . 6782 1 941 . 1 1 77 77 MET CG C 13 32.8 0.2 . 1 . . . . 77 MET CG . 6782 1 942 . 1 1 77 77 MET CE C 13 17.2 0.2 . 1 . . . . 77 MET CE . 6782 1 943 . 1 1 77 77 MET N N 15 121.5 0.2 . 1 . . . . 77 MET N . 6782 1 944 . 1 1 78 78 GLY H H 1 8.40 0.02 . 1 . . . . 78 GLY H . 6782 1 945 . 1 1 78 78 GLY HA2 H 1 4.31 0.02 . 2 . . . . 78 GLY HA2 . 6782 1 946 . 1 1 78 78 GLY HA3 H 1 4.60 0.02 . 2 . . . . 78 GLY HA3 . 6782 1 947 . 1 1 78 78 GLY C C 13 174.5 0.2 . 1 . . . . 78 GLY C . 6782 1 948 . 1 1 78 78 GLY CA C 13 45.6 0.2 . 1 . . . . 78 GLY CA . 6782 1 949 . 1 1 78 78 GLY N N 15 107.6 0.2 . 1 . . . . 78 GLY N . 6782 1 950 . 1 1 79 79 ARG H H 1 7.57 0.02 . 1 . . . . 79 ARG H . 6782 1 951 . 1 1 79 79 ARG HA H 1 4.58 0.02 . 1 . . . . 79 ARG HA . 6782 1 952 . 1 1 79 79 ARG HB2 H 1 1.93 0.02 . 2 . . . . 79 ARG HB2 . 6782 1 953 . 1 1 79 79 ARG HB3 H 1 2.12 0.02 . 2 . . . . 79 ARG HB3 . 6782 1 954 . 1 1 79 79 ARG HG2 H 1 1.79 0.02 . 2 . . . . 79 ARG HG2 . 6782 1 955 . 1 1 79 79 ARG HG3 H 1 1.99 0.02 . 2 . . . . 79 ARG HG3 . 6782 1 956 . 1 1 79 79 ARG HD2 H 1 3.30 0.02 . 1 . . . . 79 ARG HD2 . 6782 1 957 . 1 1 79 79 ARG HD3 H 1 3.30 0.02 . 1 . . . . 79 ARG HD3 . 6782 1 958 . 1 1 79 79 ARG C C 13 176.0 0.2 . 1 . . . . 79 ARG C . 6782 1 959 . 1 1 79 79 ARG CA C 13 55.7 0.2 . 1 . . . . 79 ARG CA . 6782 1 960 . 1 1 79 79 ARG CB C 13 30.9 0.2 . 1 . . . . 79 ARG CB . 6782 1 961 . 1 1 79 79 ARG CG C 13 27.9 0.2 . 1 . . . . 79 ARG CG . 6782 1 962 . 1 1 79 79 ARG CD C 13 44.0 0.2 . 1 . . . . 79 ARG CD . 6782 1 963 . 1 1 79 79 ARG N N 15 118.4 0.2 . 1 . . . . 79 ARG N . 6782 1 964 . 1 1 80 80 ASP H H 1 7.14 0.02 . 1 . . . . 80 ASP H . 6782 1 965 . 1 1 80 80 ASP HA H 1 4.48 0.02 . 1 . . . . 80 ASP HA . 6782 1 966 . 1 1 80 80 ASP HB2 H 1 2.71 0.02 . 2 . . . . 80 ASP HB2 . 6782 1 967 . 1 1 80 80 ASP HB3 H 1 2.87 0.02 . 2 . . . . 80 ASP HB3 . 6782 1 968 . 1 1 80 80 ASP C C 13 177.0 0.2 . 1 . . . . 80 ASP C . 6782 1 969 . 1 1 80 80 ASP CA C 13 55.2 0.2 . 1 . . . . 80 ASP CA . 6782 1 970 . 1 1 80 80 ASP CB C 13 41.4 0.2 . 1 . . . . 80 ASP CB . 6782 1 971 . 1 1 80 80 ASP N N 15 120.0 0.2 . 1 . . . . 80 ASP N . 6782 1 972 . 1 1 81 81 ARG H H 1 8.63 0.02 . 1 . . . . 81 ARG H . 6782 1 973 . 1 1 81 81 ARG HA H 1 4.50 0.02 . 1 . . . . 81 ARG HA . 6782 1 974 . 1 1 81 81 ARG HB2 H 1 1.82 0.02 . 2 . . . . 81 ARG HB2 . 6782 1 975 . 1 1 81 81 ARG HB3 H 1 2.16 0.02 . 2 . . . . 81 ARG HB3 . 6782 1 976 . 1 1 81 81 ARG HG2 H 1 1.76 0.02 . 2 . . . . 81 ARG HG2 . 6782 1 977 . 1 1 81 81 ARG HG3 H 1 1.86 0.02 . 2 . . . . 81 ARG HG3 . 6782 1 978 . 1 1 81 81 ARG HD2 H 1 3.26 0.02 . 1 . . . . 81 ARG HD2 . 6782 1 979 . 1 1 81 81 ARG HD3 H 1 3.26 0.02 . 1 . . . . 81 ARG HD3 . 6782 1 980 . 1 1 81 81 ARG C C 13 176.9 0.2 . 1 . . . . 81 ARG C . 6782 1 981 . 1 1 81 81 ARG CA C 13 56.4 0.2 . 1 . . . . 81 ARG CA . 6782 1 982 . 1 1 81 81 ARG CB C 13 29.7 0.2 . 1 . . . . 81 ARG CB . 6782 1 983 . 1 1 81 81 ARG CG C 13 27.4 0.2 . 1 . . . . 81 ARG CG . 6782 1 984 . 1 1 81 81 ARG CD C 13 43.2 0.2 . 1 . . . . 81 ARG CD . 6782 1 985 . 1 1 81 81 ARG N N 15 125.7 0.2 . 1 . . . . 81 ARG N . 6782 1 986 . 1 1 82 82 SER H H 1 9.01 0.02 . 1 . . . . 82 SER H . 6782 1 987 . 1 1 82 82 SER HA H 1 4.41 0.02 . 1 . . . . 82 SER HA . 6782 1 988 . 1 1 82 82 SER HB2 H 1 3.87 0.02 . 2 . . . . 82 SER HB2 . 6782 1 989 . 1 1 82 82 SER HB3 H 1 4.00 0.02 . 2 . . . . 82 SER HB3 . 6782 1 990 . 1 1 82 82 SER C C 13 174.2 0.2 . 1 . . . . 82 SER C . 6782 1 991 . 1 1 82 82 SER CA C 13 59.7 0.2 . 1 . . . . 82 SER CA . 6782 1 992 . 1 1 82 82 SER CB C 13 64.0 0.2 . 1 . . . . 82 SER CB . 6782 1 993 . 1 1 82 82 SER N N 15 116.6 0.2 . 1 . . . . 82 SER N . 6782 1 994 . 1 1 83 83 LYS H H 1 7.07 0.02 . 1 . . . . 83 LYS H . 6782 1 995 . 1 1 83 83 LYS HA H 1 4.60 0.02 . 1 . . . . 83 LYS HA . 6782 1 996 . 1 1 83 83 LYS HB2 H 1 1.34 0.02 . 2 . . . . 83 LYS HB2 . 6782 1 997 . 1 1 83 83 LYS HB3 H 1 1.56 0.02 . 2 . . . . 83 LYS HB3 . 6782 1 998 . 1 1 83 83 LYS HG2 H 1 0.39 0.02 . 2 . . . . 83 LYS HG2 . 6782 1 999 . 1 1 83 83 LYS HG3 H 1 0.76 0.02 . 2 . . . . 83 LYS HG3 . 6782 1 1000 . 1 1 83 83 LYS HD2 H 1 0.75 0.02 . 2 . . . . 83 LYS HD2 . 6782 1 1001 . 1 1 83 83 LYS HD3 H 1 1.01 0.02 . 2 . . . . 83 LYS HD3 . 6782 1 1002 . 1 1 83 83 LYS HE2 H 1 2.27 0.02 . 2 . . . . 83 LYS HE2 . 6782 1 1003 . 1 1 83 83 LYS HE3 H 1 2.36 0.02 . 2 . . . . 83 LYS HE3 . 6782 1 1004 . 1 1 83 83 LYS CA C 13 52.1 0.2 . 1 . . . . 83 LYS CA . 6782 1 1005 . 1 1 83 83 LYS CB C 13 33.0 0.2 . 1 . . . . 83 LYS CB . 6782 1 1006 . 1 1 83 83 LYS CG C 13 23.6 0.2 . 1 . . . . 83 LYS CG . 6782 1 1007 . 1 1 83 83 LYS CD C 13 27.8 0.2 . 1 . . . . 83 LYS CD . 6782 1 1008 . 1 1 83 83 LYS CE C 13 42.1 0.2 . 1 . . . . 83 LYS CE . 6782 1 1009 . 1 1 83 83 LYS N N 15 123.3 0.2 . 1 . . . . 83 LYS N . 6782 1 1010 . 1 1 84 84 PRO HA H 1 4.42 0.02 . 1 . . . . 84 PRO HA . 6782 1 1011 . 1 1 84 84 PRO HB2 H 1 1.99 0.02 . 2 . . . . 84 PRO HB2 . 6782 1 1012 . 1 1 84 84 PRO HB3 H 1 2.31 0.02 . 2 . . . . 84 PRO HB3 . 6782 1 1013 . 1 1 84 84 PRO HG2 H 1 2.13 0.02 . 2 . . . . 84 PRO HG2 . 6782 1 1014 . 1 1 84 84 PRO HG3 H 1 2.22 0.02 . 2 . . . . 84 PRO HG3 . 6782 1 1015 . 1 1 84 84 PRO HD2 H 1 3.65 0.02 . 2 . . . . 84 PRO HD2 . 6782 1 1016 . 1 1 84 84 PRO HD3 H 1 3.88 0.02 . 2 . . . . 84 PRO HD3 . 6782 1 1017 . 1 1 84 84 PRO CA C 13 63.5 0.2 . 1 . . . . 84 PRO CA . 6782 1 1018 . 1 1 84 84 PRO CB C 13 32.3 0.2 . 1 . . . . 84 PRO CB . 6782 1 1019 . 1 1 84 84 PRO CG C 13 27.8 0.2 . 1 . . . . 84 PRO CG . 6782 1 1020 . 1 1 84 84 PRO CD C 13 50.5 0.2 . 1 . . . . 84 PRO CD . 6782 1 1021 . 1 1 85 85 LEU HA H 1 4.52 0.02 . 1 . . . . 85 LEU HA . 6782 1 1022 . 1 1 85 85 LEU HB2 H 1 1.42 0.02 . 2 . . . . 85 LEU HB2 . 6782 1 1023 . 1 1 85 85 LEU HB3 H 1 1.55 0.02 . 2 . . . . 85 LEU HB3 . 6782 1 1024 . 1 1 85 85 LEU HG H 1 1.66 0.02 . 1 . . . . 85 LEU HG . 6782 1 1025 . 1 1 85 85 LEU HD11 H 1 0.72 0.02 . 1 . . . . 85 LEU HD1 . 6782 1 1026 . 1 1 85 85 LEU HD12 H 1 0.72 0.02 . 1 . . . . 85 LEU HD1 . 6782 1 1027 . 1 1 85 85 LEU HD13 H 1 0.72 0.02 . 1 . . . . 85 LEU HD1 . 6782 1 1028 . 1 1 85 85 LEU HD21 H 1 0.42 0.02 . 1 . . . . 85 LEU HD2 . 6782 1 1029 . 1 1 85 85 LEU HD22 H 1 0.42 0.02 . 1 . . . . 85 LEU HD2 . 6782 1 1030 . 1 1 85 85 LEU HD23 H 1 0.42 0.02 . 1 . . . . 85 LEU HD2 . 6782 1 1031 . 1 1 85 85 LEU CA C 13 54.0 0.2 . 1 . . . . 85 LEU CA . 6782 1 1032 . 1 1 85 85 LEU CB C 13 44.2 0.2 . 1 . . . . 85 LEU CB . 6782 1 1033 . 1 1 85 85 LEU CG C 13 26.9 0.2 . 1 . . . . 85 LEU CG . 6782 1 1034 . 1 1 85 85 LEU CD1 C 13 25.1 0.2 . 1 . . . . 85 LEU CD1 . 6782 1 1035 . 1 1 85 85 LEU CD2 C 13 24.7 0.2 . 1 . . . . 85 LEU CD2 . 6782 1 1036 . 1 1 86 86 ARG H H 1 8.43 0.02 . 1 . . . . 86 ARG H . 6782 1 1037 . 1 1 86 86 ARG HA H 1 4.22 0.02 . 1 . . . . 86 ARG HA . 6782 1 1038 . 1 1 86 86 ARG HB2 H 1 1.84 0.02 . 1 . . . . 86 ARG HB2 . 6782 1 1039 . 1 1 86 86 ARG HB3 H 1 1.84 0.02 . 1 . . . . 86 ARG HB3 . 6782 1 1040 . 1 1 86 86 ARG HG2 H 1 1.65 0.02 . 2 . . . . 86 ARG HG2 . 6782 1 1041 . 1 1 86 86 ARG HG3 H 1 1.83 0.02 . 2 . . . . 86 ARG HG3 . 6782 1 1042 . 1 1 86 86 ARG HD2 H 1 3.22 0.02 . 2 . . . . 86 ARG HD2 . 6782 1 1043 . 1 1 86 86 ARG HD3 H 1 3.36 0.02 . 2 . . . . 86 ARG HD3 . 6782 1 1044 . 1 1 86 86 ARG HE H 1 7.43 0.02 . 1 . . . . 86 ARG HE . 6782 1 1045 . 1 1 86 86 ARG C C 13 177.7 0.2 . 1 . . . . 86 ARG C . 6782 1 1046 . 1 1 86 86 ARG CA C 13 56.6 0.2 . 1 . . . . 86 ARG CA . 6782 1 1047 . 1 1 86 86 ARG CB C 13 31.3 0.2 . 1 . . . . 86 ARG CB . 6782 1 1048 . 1 1 86 86 ARG CG C 13 26.6 0.2 . 1 . . . . 86 ARG CG . 6782 1 1049 . 1 1 86 86 ARG CD C 13 44.9 0.2 . 1 . . . . 86 ARG CD . 6782 1 1050 . 1 1 86 86 ARG CZ C 13 160.0 0.2 . 1 . . . . 86 ARG CZ . 6782 1 1051 . 1 1 86 86 ARG N N 15 121.3 0.2 . 1 . . . . 86 ARG N . 6782 1 1052 . 1 1 86 86 ARG NE N 15 83.8 0.2 . 1 . . . . 86 ARG NE . 6782 1 1053 . 1 1 87 87 LYS H H 1 8.91 0.02 . 1 . . . . 87 LYS H . 6782 1 1054 . 1 1 87 87 LYS HA H 1 4.16 0.02 . 1 . . . . 87 LYS HA . 6782 1 1055 . 1 1 87 87 LYS HB2 H 1 1.92 0.02 . 1 . . . . 87 LYS HB2 . 6782 1 1056 . 1 1 87 87 LYS HB3 H 1 1.92 0.02 . 1 . . . . 87 LYS HB3 . 6782 1 1057 . 1 1 87 87 LYS HG2 H 1 1.59 0.02 . 2 . . . . 87 LYS HG2 . 6782 1 1058 . 1 1 87 87 LYS HG3 H 1 1.64 0.02 . 2 . . . . 87 LYS HG3 . 6782 1 1059 . 1 1 87 87 LYS HD2 H 1 1.78 0.02 . 1 . . . . 87 LYS HD2 . 6782 1 1060 . 1 1 87 87 LYS HD3 H 1 1.78 0.02 . 1 . . . . 87 LYS HD3 . 6782 1 1061 . 1 1 87 87 LYS HE2 H 1 3.09 0.02 . 1 . . . . 87 LYS HE2 . 6782 1 1062 . 1 1 87 87 LYS HE3 H 1 3.09 0.02 . 1 . . . . 87 LYS HE3 . 6782 1 1063 . 1 1 87 87 LYS C C 13 177.1 0.2 . 1 . . . . 87 LYS C . 6782 1 1064 . 1 1 87 87 LYS CA C 13 58.3 0.2 . 1 . . . . 87 LYS CA . 6782 1 1065 . 1 1 87 87 LYS CB C 13 32.5 0.2 . 1 . . . . 87 LYS CB . 6782 1 1066 . 1 1 87 87 LYS CG C 13 25.2 0.2 . 1 . . . . 87 LYS CG . 6782 1 1067 . 1 1 87 87 LYS CD C 13 29.0 0.2 . 1 . . . . 87 LYS CD . 6782 1 1068 . 1 1 87 87 LYS CE C 13 42.0 0.2 . 1 . . . . 87 LYS CE . 6782 1 1069 . 1 1 87 87 LYS N N 15 125.2 0.2 . 1 . . . . 87 LYS N . 6782 1 1070 . 1 1 88 88 ASN H H 1 8.51 0.02 . 1 . . . . 88 ASN H . 6782 1 1071 . 1 1 88 88 ASN HA H 1 4.96 0.02 . 1 . . . . 88 ASN HA . 6782 1 1072 . 1 1 88 88 ASN HB2 H 1 2.87 0.02 . 2 . . . . 88 ASN HB2 . 6782 1 1073 . 1 1 88 88 ASN HB3 H 1 3.12 0.02 . 2 . . . . 88 ASN HB3 . 6782 1 1074 . 1 1 88 88 ASN HD21 H 1 7.64 0.02 . 1 . . . . 88 ASN HD21 . 6782 1 1075 . 1 1 88 88 ASN HD22 H 1 6.88 0.02 . 1 . . . . 88 ASN HD22 . 6782 1 1076 . 1 1 88 88 ASN C C 13 176.4 0.2 . 1 . . . . 88 ASN C . 6782 1 1077 . 1 1 88 88 ASN CA C 13 52.4 0.2 . 1 . . . . 88 ASN CA . 6782 1 1078 . 1 1 88 88 ASN CB C 13 37.3 0.2 . 1 . . . . 88 ASN CB . 6782 1 1079 . 1 1 88 88 ASN CG C 13 178.0 0.2 . 1 . . . . 88 ASN CG . 6782 1 1080 . 1 1 88 88 ASN N N 15 115.3 0.2 . 1 . . . . 88 ASN N . 6782 1 1081 . 1 1 88 88 ASN ND2 N 15 111.4 0.2 . 1 . . . . 88 ASN ND2 . 6782 1 1082 . 1 1 89 89 TRP H H 1 7.67 0.02 . 1 . . . . 89 TRP H . 6782 1 1083 . 1 1 89 89 TRP HA H 1 4.45 0.02 . 1 . . . . 89 TRP HA . 6782 1 1084 . 1 1 89 89 TRP HB2 H 1 3.11 0.02 . 2 . . . . 89 TRP HB2 . 6782 1 1085 . 1 1 89 89 TRP HB3 H 1 3.46 0.02 . 2 . . . . 89 TRP HB3 . 6782 1 1086 . 1 1 89 89 TRP HD1 H 1 7.20 0.02 . 1 . . . . 89 TRP HD1 . 6782 1 1087 . 1 1 89 89 TRP HE1 H 1 10.14 0.02 . 1 . . . . 89 TRP HE1 . 6782 1 1088 . 1 1 89 89 TRP HE3 H 1 7.05 0.02 . 1 . . . . 89 TRP HE3 . 6782 1 1089 . 1 1 89 89 TRP HZ2 H 1 6.85 0.02 . 1 . . . . 89 TRP HZ2 . 6782 1 1090 . 1 1 89 89 TRP HZ3 H 1 6.46 0.02 . 1 . . . . 89 TRP HZ3 . 6782 1 1091 . 1 1 89 89 TRP HH2 H 1 6.44 0.02 . 1 . . . . 89 TRP HH2 . 6782 1 1092 . 1 1 89 89 TRP C C 13 176.7 0.2 . 1 . . . . 89 TRP C . 6782 1 1093 . 1 1 89 89 TRP CA C 13 59.8 0.2 . 1 . . . . 89 TRP CA . 6782 1 1094 . 1 1 89 89 TRP CB C 13 30.5 0.2 . 1 . . . . 89 TRP CB . 6782 1 1095 . 1 1 89 89 TRP CD1 C 13 126.8 0.2 . 1 . . . . 89 TRP CD1 . 6782 1 1096 . 1 1 89 89 TRP CE3 C 13 120.4 0.2 . 1 . . . . 89 TRP CE3 . 6782 1 1097 . 1 1 89 89 TRP CZ2 C 13 115.9 0.2 . 1 . . . . 89 TRP CZ2 . 6782 1 1098 . 1 1 89 89 TRP CZ3 C 13 120.7 0.2 . 1 . . . . 89 TRP CZ3 . 6782 1 1099 . 1 1 89 89 TRP CH2 C 13 124.4 0.2 . 1 . . . . 89 TRP CH2 . 6782 1 1100 . 1 1 89 89 TRP N N 15 119.9 0.2 . 1 . . . . 89 TRP N . 6782 1 1101 . 1 1 89 89 TRP NE1 N 15 128.2 0.2 . 1 . . . . 89 TRP NE1 . 6782 1 1102 . 1 1 90 90 GLU H H 1 8.82 0.02 . 1 . . . . 90 GLU H . 6782 1 1103 . 1 1 90 90 GLU HA H 1 3.64 0.02 . 1 . . . . 90 GLU HA . 6782 1 1104 . 1 1 90 90 GLU HB2 H 1 1.95 0.02 . 2 . . . . 90 GLU HB2 . 6782 1 1105 . 1 1 90 90 GLU HB3 H 1 2.05 0.02 . 2 . . . . 90 GLU HB3 . 6782 1 1106 . 1 1 90 90 GLU HG2 H 1 2.39 0.02 . 1 . . . . 90 GLU HG2 . 6782 1 1107 . 1 1 90 90 GLU HG3 H 1 2.39 0.02 . 1 . . . . 90 GLU HG3 . 6782 1 1108 . 1 1 90 90 GLU C C 13 178.5 0.2 . 1 . . . . 90 GLU C . 6782 1 1109 . 1 1 90 90 GLU CA C 13 59.3 0.2 . 1 . . . . 90 GLU CA . 6782 1 1110 . 1 1 90 90 GLU CB C 13 28.9 0.2 . 1 . . . . 90 GLU CB . 6782 1 1111 . 1 1 90 90 GLU CG C 13 36.0 0.2 . 1 . . . . 90 GLU CG . 6782 1 1112 . 1 1 90 90 GLU N N 15 113.5 0.2 . 1 . . . . 90 GLU N . 6782 1 1113 . 1 1 91 91 SER H H 1 7.59 0.02 . 1 . . . . 91 SER H . 6782 1 1114 . 1 1 91 91 SER HA H 1 4.45 0.02 . 1 . . . . 91 SER HA . 6782 1 1115 . 1 1 91 91 SER HB2 H 1 3.98 0.02 . 1 . . . . 91 SER HB2 . 6782 1 1116 . 1 1 91 91 SER HB3 H 1 3.98 0.02 . 1 . . . . 91 SER HB3 . 6782 1 1117 . 1 1 91 91 SER C C 13 175.7 0.2 . 1 . . . . 91 SER C . 6782 1 1118 . 1 1 91 91 SER CA C 13 60.1 0.2 . 1 . . . . 91 SER CA . 6782 1 1119 . 1 1 91 91 SER CB C 13 63.8 0.2 . 1 . . . . 91 SER CB . 6782 1 1120 . 1 1 91 91 SER N N 15 111.0 0.2 . 1 . . . . 91 SER N . 6782 1 1121 . 1 1 92 92 VAL H H 1 7.43 0.02 . 1 . . . . 92 VAL H . 6782 1 1122 . 1 1 92 92 VAL HA H 1 4.62 0.02 . 1 . . . . 92 VAL HA . 6782 1 1123 . 1 1 92 92 VAL HB H 1 2.33 0.02 . 1 . . . . 92 VAL HB . 6782 1 1124 . 1 1 92 92 VAL HG11 H 1 0.86 0.02 . 1 . . . . 92 VAL HG1 . 6782 1 1125 . 1 1 92 92 VAL HG12 H 1 0.86 0.02 . 1 . . . . 92 VAL HG1 . 6782 1 1126 . 1 1 92 92 VAL HG13 H 1 0.86 0.02 . 1 . . . . 92 VAL HG1 . 6782 1 1127 . 1 1 92 92 VAL HG21 H 1 0.80 0.02 . 1 . . . . 92 VAL HG2 . 6782 1 1128 . 1 1 92 92 VAL HG22 H 1 0.80 0.02 . 1 . . . . 92 VAL HG2 . 6782 1 1129 . 1 1 92 92 VAL HG23 H 1 0.80 0.02 . 1 . . . . 92 VAL HG2 . 6782 1 1130 . 1 1 92 92 VAL C C 13 177.8 0.2 . 1 . . . . 92 VAL C . 6782 1 1131 . 1 1 92 92 VAL CA C 13 61.6 0.2 . 1 . . . . 92 VAL CA . 6782 1 1132 . 1 1 92 92 VAL CB C 13 33.4 0.2 . 1 . . . . 92 VAL CB . 6782 1 1133 . 1 1 92 92 VAL CG1 C 13 21.0 0.2 . 1 . . . . 92 VAL CG1 . 6782 1 1134 . 1 1 92 92 VAL CG2 C 13 18.9 0.2 . 1 . . . . 92 VAL CG2 . 6782 1 1135 . 1 1 92 92 VAL N N 15 113.7 0.2 . 1 . . . . 92 VAL N . 6782 1 1136 . 1 1 93 93 LYS H H 1 7.63 0.02 . 1 . . . . 93 LYS H . 6782 1 1137 . 1 1 93 93 LYS HA H 1 3.11 0.02 . 1 . . . . 93 LYS HA . 6782 1 1138 . 1 1 93 93 LYS HB2 H 1 0.30 0.02 . 2 . . . . 93 LYS HB2 . 6782 1 1139 . 1 1 93 93 LYS HB3 H 1 1.42 0.02 . 2 . . . . 93 LYS HB3 . 6782 1 1140 . 1 1 93 93 LYS HG2 H 1 1.14 0.02 . 2 . . . . 93 LYS HG2 . 6782 1 1141 . 1 1 93 93 LYS HG3 H 1 1.39 0.02 . 2 . . . . 93 LYS HG3 . 6782 1 1142 . 1 1 93 93 LYS HD2 H 1 1.23 0.02 . 2 . . . . 93 LYS HD2 . 6782 1 1143 . 1 1 93 93 LYS HD3 H 1 1.71 0.02 . 2 . . . . 93 LYS HD3 . 6782 1 1144 . 1 1 93 93 LYS HE2 H 1 2.33 0.02 . 2 . . . . 93 LYS HE2 . 6782 1 1145 . 1 1 93 93 LYS HE3 H 1 2.62 0.02 . 2 . . . . 93 LYS HE3 . 6782 1 1146 . 1 1 93 93 LYS C C 13 177.7 0.2 . 1 . . . . 93 LYS C . 6782 1 1147 . 1 1 93 93 LYS CA C 13 60.0 0.2 . 1 . . . . 93 LYS CA . 6782 1 1148 . 1 1 93 93 LYS CB C 13 31.6 0.2 . 1 . . . . 93 LYS CB . 6782 1 1149 . 1 1 93 93 LYS CG C 13 23.8 0.2 . 1 . . . . 93 LYS CG . 6782 1 1150 . 1 1 93 93 LYS CD C 13 30.4 0.2 . 1 . . . . 93 LYS CD . 6782 1 1151 . 1 1 93 93 LYS CE C 13 42.0 0.2 . 1 . . . . 93 LYS CE . 6782 1 1152 . 1 1 93 93 LYS N N 15 121.9 0.2 . 1 . . . . 93 LYS N . 6782 1 1153 . 1 1 94 94 GLU H H 1 8.52 0.02 . 1 . . . . 94 GLU H . 6782 1 1154 . 1 1 94 94 GLU HA H 1 4.41 0.02 . 1 . . . . 94 GLU HA . 6782 1 1155 . 1 1 94 94 GLU HB2 H 1 2.03 0.02 . 2 . . . . 94 GLU HB2 . 6782 1 1156 . 1 1 94 94 GLU HB3 H 1 2.41 0.02 . 2 . . . . 94 GLU HB3 . 6782 1 1157 . 1 1 94 94 GLU HG2 H 1 2.32 0.02 . 2 . . . . 94 GLU HG2 . 6782 1 1158 . 1 1 94 94 GLU HG3 H 1 2.73 0.02 . 2 . . . . 94 GLU HG3 . 6782 1 1159 . 1 1 94 94 GLU C C 13 178.3 0.2 . 1 . . . . 94 GLU C . 6782 1 1160 . 1 1 94 94 GLU CA C 13 61.6 0.2 . 1 . . . . 94 GLU CA . 6782 1 1161 . 1 1 94 94 GLU CB C 13 28.2 0.2 . 1 . . . . 94 GLU CB . 6782 1 1162 . 1 1 94 94 GLU CG C 13 37.9 0.2 . 1 . . . . 94 GLU CG . 6782 1 1163 . 1 1 94 94 GLU N N 15 118.5 0.2 . 1 . . . . 94 GLU N . 6782 1 1164 . 1 1 95 95 GLN H H 1 7.84 0.02 . 1 . . . . 95 GLN H . 6782 1 1165 . 1 1 95 95 GLN HA H 1 4.24 0.02 . 1 . . . . 95 GLN HA . 6782 1 1166 . 1 1 95 95 GLN HB2 H 1 2.29 0.02 . 2 . . . . 95 GLN HB2 . 6782 1 1167 . 1 1 95 95 GLN HB3 H 1 2.36 0.02 . 2 . . . . 95 GLN HB3 . 6782 1 1168 . 1 1 95 95 GLN HG2 H 1 2.52 0.02 . 1 . . . . 95 GLN HG2 . 6782 1 1169 . 1 1 95 95 GLN HG3 H 1 2.52 0.02 . 1 . . . . 95 GLN HG3 . 6782 1 1170 . 1 1 95 95 GLN HE21 H 1 7.55 0.02 . 2 . . . . 95 GLN HE21 . 6782 1 1171 . 1 1 95 95 GLN HE22 H 1 6.92 0.02 . 2 . . . . 95 GLN HE22 . 6782 1 1172 . 1 1 95 95 GLN C C 13 179.6 0.2 . 1 . . . . 95 GLN C . 6782 1 1173 . 1 1 95 95 GLN CA C 13 59.0 0.2 . 1 . . . . 95 GLN CA . 6782 1 1174 . 1 1 95 95 GLN CB C 13 27.9 0.2 . 1 . . . . 95 GLN CB . 6782 1 1175 . 1 1 95 95 GLN CG C 13 33.5 0.2 . 1 . . . . 95 GLN CG . 6782 1 1176 . 1 1 95 95 GLN N N 15 121.3 0.2 . 1 . . . . 95 GLN N . 6782 1 1177 . 1 1 95 95 GLN NE2 N 15 111.6 0.2 . 1 . . . . 95 GLN NE2 . 6782 1 1178 . 1 1 96 96 VAL H H 1 8.20 0.02 . 1 . . . . 96 VAL H . 6782 1 1179 . 1 1 96 96 VAL HA H 1 3.84 0.02 . 1 . . . . 96 VAL HA . 6782 1 1180 . 1 1 96 96 VAL HB H 1 2.32 0.02 . 1 . . . . 96 VAL HB . 6782 1 1181 . 1 1 96 96 VAL HG11 H 1 1.16 0.02 . 1 . . . . 96 VAL HG1 . 6782 1 1182 . 1 1 96 96 VAL HG12 H 1 1.16 0.02 . 1 . . . . 96 VAL HG1 . 6782 1 1183 . 1 1 96 96 VAL HG13 H 1 1.16 0.02 . 1 . . . . 96 VAL HG1 . 6782 1 1184 . 1 1 96 96 VAL HG21 H 1 1.11 0.02 . 1 . . . . 96 VAL HG2 . 6782 1 1185 . 1 1 96 96 VAL HG22 H 1 1.11 0.02 . 1 . . . . 96 VAL HG2 . 6782 1 1186 . 1 1 96 96 VAL HG23 H 1 1.11 0.02 . 1 . . . . 96 VAL HG2 . 6782 1 1187 . 1 1 96 96 VAL CA C 13 66.7 0.2 . 1 . . . . 96 VAL CA . 6782 1 1188 . 1 1 96 96 VAL CB C 13 31.5 0.2 . 1 . . . . 96 VAL CB . 6782 1 1189 . 1 1 96 96 VAL CG1 C 13 22.9 0.2 . 1 . . . . 96 VAL CG1 . 6782 1 1190 . 1 1 96 96 VAL CG2 C 13 21.9 0.2 . 1 . . . . 96 VAL CG2 . 6782 1 1191 . 1 1 96 96 VAL N N 15 121.4 0.2 . 1 . . . . 96 VAL N . 6782 1 1192 . 1 1 97 97 MET H H 1 8.41 0.02 . 1 . . . . 97 MET H . 6782 1 1193 . 1 1 97 97 MET HA H 1 4.50 0.02 . 1 . . . . 97 MET HA . 6782 1 1194 . 1 1 97 97 MET HB2 H 1 2.14 0.02 . 2 . . . . 97 MET HB2 . 6782 1 1195 . 1 1 97 97 MET HB3 H 1 2.24 0.02 . 2 . . . . 97 MET HB3 . 6782 1 1196 . 1 1 97 97 MET HE1 H 1 -0.21 0.02 . 1 . . . . 97 MET HE . 6782 1 1197 . 1 1 97 97 MET HE2 H 1 -0.21 0.02 . 1 . . . . 97 MET HE . 6782 1 1198 . 1 1 97 97 MET HE3 H 1 -0.21 0.02 . 1 . . . . 97 MET HE . 6782 1 1199 . 1 1 97 97 MET C C 13 178.2 0.2 . 1 . . . . 97 MET C . 6782 1 1200 . 1 1 97 97 MET CA C 13 57.6 0.2 . 1 . . . . 97 MET CA . 6782 1 1201 . 1 1 97 97 MET CB C 13 31.6 0.2 . 1 . . . . 97 MET CB . 6782 1 1202 . 1 1 97 97 MET CE C 13 13.9 0.2 . 1 . . . . 97 MET CE . 6782 1 1203 . 1 1 97 97 MET N N 15 118.8 0.2 . 1 . . . . 97 MET N . 6782 1 1204 . 1 1 98 98 ARG H H 1 8.85 0.02 . 1 . . . . 98 ARG H . 6782 1 1205 . 1 1 98 98 ARG HA H 1 3.83 0.02 . 1 . . . . 98 ARG HA . 6782 1 1206 . 1 1 98 98 ARG HB2 H 1 1.87 0.02 . 2 . . . . 98 ARG HB2 . 6782 1 1207 . 1 1 98 98 ARG HB3 H 1 2.09 0.02 . 2 . . . . 98 ARG HB3 . 6782 1 1208 . 1 1 98 98 ARG HG2 H 1 1.82 0.02 . 2 . . . . 98 ARG HG2 . 6782 1 1209 . 1 1 98 98 ARG HG3 H 1 2.18 0.02 . 2 . . . . 98 ARG HG3 . 6782 1 1210 . 1 1 98 98 ARG HD2 H 1 3.21 0.02 . 2 . . . . 98 ARG HD2 . 6782 1 1211 . 1 1 98 98 ARG HD3 H 1 3.30 0.02 . 2 . . . . 98 ARG HD3 . 6782 1 1212 . 1 1 98 98 ARG HE H 1 8.77 0.02 . 1 . . . . 98 ARG HE . 6782 1 1213 . 1 1 98 98 ARG C C 13 179.0 0.2 . 1 . . . . 98 ARG C . 6782 1 1214 . 1 1 98 98 ARG CA C 13 61.4 0.2 . 1 . . . . 98 ARG CA . 6782 1 1215 . 1 1 98 98 ARG CB C 13 31.1 0.2 . 1 . . . . 98 ARG CB . 6782 1 1216 . 1 1 98 98 ARG CG C 13 30.0 0.2 . 1 . . . . 98 ARG CG . 6782 1 1217 . 1 1 98 98 ARG CD C 13 43.7 0.2 . 1 . . . . 98 ARG CD . 6782 1 1218 . 1 1 98 98 ARG CZ C 13 159.9 0.2 . 1 . . . . 98 ARG CZ . 6782 1 1219 . 1 1 98 98 ARG N N 15 118.2 0.2 . 1 . . . . 98 ARG N . 6782 1 1220 . 1 1 98 98 ARG NE N 15 87.6 0.2 . 1 . . . . 98 ARG NE . 6782 1 1221 . 1 1 99 99 LYS H H 1 7.81 0.02 . 1 . . . . 99 LYS H . 6782 1 1222 . 1 1 99 99 LYS HA H 1 4.05 0.02 . 1 . . . . 99 LYS HA . 6782 1 1223 . 1 1 99 99 LYS HB2 H 1 2.05 0.02 . 2 . . . . 99 LYS HB2 . 6782 1 1224 . 1 1 99 99 LYS HB3 H 1 2.14 0.02 . 2 . . . . 99 LYS HB3 . 6782 1 1225 . 1 1 99 99 LYS HG2 H 1 1.21 0.02 . 2 . . . . 99 LYS HG2 . 6782 1 1226 . 1 1 99 99 LYS HG3 H 1 1.55 0.02 . 2 . . . . 99 LYS HG3 . 6782 1 1227 . 1 1 99 99 LYS HD2 H 1 1.80 0.02 . 1 . . . . 99 LYS HD2 . 6782 1 1228 . 1 1 99 99 LYS HD3 H 1 1.80 0.02 . 1 . . . . 99 LYS HD3 . 6782 1 1229 . 1 1 99 99 LYS HE2 H 1 2.97 0.02 . 1 . . . . 99 LYS HE2 . 6782 1 1230 . 1 1 99 99 LYS HE3 H 1 2.97 0.02 . 1 . . . . 99 LYS HE3 . 6782 1 1231 . 1 1 99 99 LYS C C 13 178.8 0.2 . 1 . . . . 99 LYS C . 6782 1 1232 . 1 1 99 99 LYS CA C 13 59.8 0.2 . 1 . . . . 99 LYS CA . 6782 1 1233 . 1 1 99 99 LYS CB C 13 33.0 0.2 . 1 . . . . 99 LYS CB . 6782 1 1234 . 1 1 99 99 LYS CG C 13 24.9 0.2 . 1 . . . . 99 LYS CG . 6782 1 1235 . 1 1 99 99 LYS CD C 13 30.0 0.2 . 1 . . . . 99 LYS CD . 6782 1 1236 . 1 1 99 99 LYS CE C 13 42.0 0.2 . 1 . . . . 99 LYS CE . 6782 1 1237 . 1 1 99 99 LYS N N 15 120.3 0.2 . 1 . . . . 99 LYS N . 6782 1 1238 . 1 1 100 100 ALA H H 1 8.26 0.02 . 1 . . . . 100 ALA H . 6782 1 1239 . 1 1 100 100 ALA HA H 1 3.65 0.02 . 1 . . . . 100 ALA HA . 6782 1 1240 . 1 1 100 100 ALA HB1 H 1 1.62 0.02 . 1 . . . . 100 ALA HB . 6782 1 1241 . 1 1 100 100 ALA HB2 H 1 1.62 0.02 . 1 . . . . 100 ALA HB . 6782 1 1242 . 1 1 100 100 ALA HB3 H 1 1.62 0.02 . 1 . . . . 100 ALA HB . 6782 1 1243 . 1 1 100 100 ALA C C 13 178.7 0.2 . 1 . . . . 100 ALA C . 6782 1 1244 . 1 1 100 100 ALA CA C 13 55.0 0.2 . 1 . . . . 100 ALA CA . 6782 1 1245 . 1 1 100 100 ALA CB C 13 18.7 0.2 . 1 . . . . 100 ALA CB . 6782 1 1246 . 1 1 100 100 ALA N N 15 122.4 0.2 . 1 . . . . 100 ALA N . 6782 1 1247 . 1 1 101 101 LEU H H 1 8.66 0.02 . 1 . . . . 101 LEU H . 6782 1 1248 . 1 1 101 101 LEU HA H 1 4.13 0.02 . 1 . . . . 101 LEU HA . 6782 1 1249 . 1 1 101 101 LEU HB2 H 1 1.37 0.02 . 2 . . . . 101 LEU HB2 . 6782 1 1250 . 1 1 101 101 LEU HB3 H 1 1.96 0.02 . 2 . . . . 101 LEU HB3 . 6782 1 1251 . 1 1 101 101 LEU HG H 1 2.04 0.02 . 1 . . . . 101 LEU HG . 6782 1 1252 . 1 1 101 101 LEU HD11 H 1 0.76 0.02 . 1 . . . . 101 LEU HD1 . 6782 1 1253 . 1 1 101 101 LEU HD12 H 1 0.76 0.02 . 1 . . . . 101 LEU HD1 . 6782 1 1254 . 1 1 101 101 LEU HD13 H 1 0.76 0.02 . 1 . . . . 101 LEU HD1 . 6782 1 1255 . 1 1 101 101 LEU HD21 H 1 1.02 0.02 . 1 . . . . 101 LEU HD2 . 6782 1 1256 . 1 1 101 101 LEU HD22 H 1 1.02 0.02 . 1 . . . . 101 LEU HD2 . 6782 1 1257 . 1 1 101 101 LEU HD23 H 1 1.02 0.02 . 1 . . . . 101 LEU HD2 . 6782 1 1258 . 1 1 101 101 LEU C C 13 178.7 0.2 . 1 . . . . 101 LEU C . 6782 1 1259 . 1 1 101 101 LEU CA C 13 57.5 0.2 . 1 . . . . 101 LEU CA . 6782 1 1260 . 1 1 101 101 LEU CB C 13 42.8 0.2 . 1 . . . . 101 LEU CB . 6782 1 1261 . 1 1 101 101 LEU CG C 13 26.0 0.2 . 1 . . . . 101 LEU CG . 6782 1 1262 . 1 1 101 101 LEU CD1 C 13 26.6 0.2 . 1 . . . . 101 LEU CD1 . 6782 1 1263 . 1 1 101 101 LEU CD2 C 13 23.3 0.2 . 1 . . . . 101 LEU CD2 . 6782 1 1264 . 1 1 101 101 LEU N N 15 114.8 0.2 . 1 . . . . 101 LEU N . 6782 1 1265 . 1 1 102 102 ARG H H 1 8.36 0.02 . 1 . . . . 102 ARG H . 6782 1 1266 . 1 1 102 102 ARG HA H 1 3.95 0.02 . 1 . . . . 102 ARG HA . 6782 1 1267 . 1 1 102 102 ARG HB2 H 1 1.87 0.02 . 2 . . . . 102 ARG HB2 . 6782 1 1268 . 1 1 102 102 ARG HB3 H 1 2.00 0.02 . 2 . . . . 102 ARG HB3 . 6782 1 1269 . 1 1 102 102 ARG HG2 H 1 1.49 0.02 . 2 . . . . 102 ARG HG2 . 6782 1 1270 . 1 1 102 102 ARG HG3 H 1 1.66 0.02 . 2 . . . . 102 ARG HG3 . 6782 1 1271 . 1 1 102 102 ARG HD2 H 1 3.07 0.02 . 2 . . . . 102 ARG HD2 . 6782 1 1272 . 1 1 102 102 ARG HD3 H 1 3.27 0.02 . 2 . . . . 102 ARG HD3 . 6782 1 1273 . 1 1 102 102 ARG HE H 1 7.61 0.02 . 1 . . . . 102 ARG HE . 6782 1 1274 . 1 1 102 102 ARG C C 13 177.4 0.2 . 1 . . . . 102 ARG C . 6782 1 1275 . 1 1 102 102 ARG CA C 13 60.2 0.2 . 1 . . . . 102 ARG CA . 6782 1 1276 . 1 1 102 102 ARG CB C 13 29.1 0.2 . 1 . . . . 102 ARG CB . 6782 1 1277 . 1 1 102 102 ARG CG C 13 27.9 0.2 . 1 . . . . 102 ARG CG . 6782 1 1278 . 1 1 102 102 ARG CD C 13 43.1 0.2 . 1 . . . . 102 ARG CD . 6782 1 1279 . 1 1 102 102 ARG CZ C 13 159.8 0.2 . 1 . . . . 102 ARG CZ . 6782 1 1280 . 1 1 102 102 ARG N N 15 118.8 0.2 . 1 . . . . 102 ARG N . 6782 1 1281 . 1 1 102 102 ARG NE N 15 84.1 0.2 . 1 . . . . 102 ARG NE . 6782 1 1282 . 1 1 103 103 ALA H H 1 7.44 0.02 . 1 . . . . 103 ALA H . 6782 1 1283 . 1 1 103 103 ALA HA H 1 4.13 0.02 . 1 . . . . 103 ALA HA . 6782 1 1284 . 1 1 103 103 ALA HB1 H 1 1.31 0.02 . 1 . . . . 103 ALA HB . 6782 1 1285 . 1 1 103 103 ALA HB2 H 1 1.31 0.02 . 1 . . . . 103 ALA HB . 6782 1 1286 . 1 1 103 103 ALA HB3 H 1 1.31 0.02 . 1 . . . . 103 ALA HB . 6782 1 1287 . 1 1 103 103 ALA C C 13 178.1 0.2 . 1 . . . . 103 ALA C . 6782 1 1288 . 1 1 103 103 ALA CA C 13 55.3 0.2 . 1 . . . . 103 ALA CA . 6782 1 1289 . 1 1 103 103 ALA CB C 13 18.9 0.2 . 1 . . . . 103 ALA CB . 6782 1 1290 . 1 1 103 103 ALA N N 15 118.9 0.2 . 1 . . . . 103 ALA N . 6782 1 1291 . 1 1 104 104 LYS H H 1 7.72 0.02 . 1 . . . . 104 LYS H . 6782 1 1292 . 1 1 104 104 LYS HA H 1 3.70 0.02 . 1 . . . . 104 LYS HA . 6782 1 1293 . 1 1 104 104 LYS HB2 H 1 1.79 0.02 . 2 . . . . 104 LYS HB2 . 6782 1 1294 . 1 1 104 104 LYS HB3 H 1 2.06 0.02 . 2 . . . . 104 LYS HB3 . 6782 1 1295 . 1 1 104 104 LYS HG2 H 1 -0.08 0.02 . 2 . . . . 104 LYS HG2 . 6782 1 1296 . 1 1 104 104 LYS HG3 H 1 0.78 0.02 . 2 . . . . 104 LYS HG3 . 6782 1 1297 . 1 1 104 104 LYS HD2 H 1 2.28 0.02 . 1 . . . . 104 LYS HD2 . 6782 1 1298 . 1 1 104 104 LYS HD3 H 1 2.28 0.02 . 1 . . . . 104 LYS HD3 . 6782 1 1299 . 1 1 104 104 LYS C C 13 176.5 0.2 . 1 . . . . 104 LYS C . 6782 1 1300 . 1 1 104 104 LYS CA C 13 60.5 0.2 . 1 . . . . 104 LYS CA . 6782 1 1301 . 1 1 104 104 LYS CB C 13 33.7 0.2 . 1 . . . . 104 LYS CB . 6782 1 1302 . 1 1 104 104 LYS CG C 13 25.0 0.2 . 1 . . . . 104 LYS CG . 6782 1 1303 . 1 1 104 104 LYS N N 15 116.7 0.2 . 1 . . . . 104 LYS N . 6782 1 1304 . 1 1 105 105 PHE H H 1 8.03 0.02 . 1 . . . . 105 PHE H . 6782 1 1305 . 1 1 105 105 PHE HA H 1 4.12 0.02 . 1 . . . . 105 PHE HA . 6782 1 1306 . 1 1 105 105 PHE HB2 H 1 2.70 0.02 . 2 . . . . 105 PHE HB2 . 6782 1 1307 . 1 1 105 105 PHE HB3 H 1 2.77 0.02 . 2 . . . . 105 PHE HB3 . 6782 1 1308 . 1 1 105 105 PHE HD1 H 1 7.36 0.02 . 1 . . . . 105 PHE HD1 . 6782 1 1309 . 1 1 105 105 PHE HD2 H 1 7.36 0.02 . 1 . . . . 105 PHE HD2 . 6782 1 1310 . 1 1 105 105 PHE HE1 H 1 7.12 0.02 . 1 . . . . 105 PHE HE1 . 6782 1 1311 . 1 1 105 105 PHE HE2 H 1 7.12 0.02 . 1 . . . . 105 PHE HE2 . 6782 1 1312 . 1 1 105 105 PHE HZ H 1 6.88 0.02 . 1 . . . . 105 PHE HZ . 6782 1 1313 . 1 1 105 105 PHE C C 13 176.9 0.2 . 1 . . . . 105 PHE C . 6782 1 1314 . 1 1 105 105 PHE CA C 13 61.1 0.2 . 1 . . . . 105 PHE CA . 6782 1 1315 . 1 1 105 105 PHE CB C 13 39.5 0.2 . 1 . . . . 105 PHE CB . 6782 1 1316 . 1 1 105 105 PHE CD1 C 13 132.9 0.2 . 1 . . . . 105 PHE CD1 . 6782 1 1317 . 1 1 105 105 PHE CD2 C 13 132.9 0.2 . 1 . . . . 105 PHE CD2 . 6782 1 1318 . 1 1 105 105 PHE CE1 C 13 131.0 0.2 . 1 . . . . 105 PHE CE1 . 6782 1 1319 . 1 1 105 105 PHE CE2 C 13 131.0 0.2 . 1 . . . . 105 PHE CE2 . 6782 1 1320 . 1 1 105 105 PHE CZ C 13 128.1 0.2 . 1 . . . . 105 PHE CZ . 6782 1 1321 . 1 1 105 105 PHE N N 15 110.5 0.2 . 1 . . . . 105 PHE N . 6782 1 1322 . 1 1 106 106 GLU H H 1 8.73 0.02 . 1 . . . . 106 GLU H . 6782 1 1323 . 1 1 106 106 GLU HA H 1 4.22 0.02 . 1 . . . . 106 GLU HA . 6782 1 1324 . 1 1 106 106 GLU HB2 H 1 1.96 0.02 . 2 . . . . 106 GLU HB2 . 6782 1 1325 . 1 1 106 106 GLU HB3 H 1 2.32 0.02 . 2 . . . . 106 GLU HB3 . 6782 1 1326 . 1 1 106 106 GLU HG2 H 1 2.22 0.02 . 2 . . . . 106 GLU HG2 . 6782 1 1327 . 1 1 106 106 GLU HG3 H 1 2.61 0.02 . 2 . . . . 106 GLU HG3 . 6782 1 1328 . 1 1 106 106 GLU C C 13 179.8 0.2 . 1 . . . . 106 GLU C . 6782 1 1329 . 1 1 106 106 GLU CA C 13 59.0 0.2 . 1 . . . . 106 GLU CA . 6782 1 1330 . 1 1 106 106 GLU CB C 13 30.6 0.2 . 1 . . . . 106 GLU CB . 6782 1 1331 . 1 1 106 106 GLU CG C 13 37.7 0.2 . 1 . . . . 106 GLU CG . 6782 1 1332 . 1 1 106 106 GLU N N 15 117.0 0.2 . 1 . . . . 106 GLU N . 6782 1 1333 . 1 1 107 107 GLN H H 1 7.80 0.02 . 1 . . . . 107 GLN H . 6782 1 1334 . 1 1 107 107 GLN HA H 1 4.08 0.02 . 1 . . . . 107 GLN HA . 6782 1 1335 . 1 1 107 107 GLN HB2 H 1 1.79 0.02 . 1 . . . . 107 GLN HB2 . 6782 1 1336 . 1 1 107 107 GLN HB3 H 1 1.79 0.02 . 1 . . . . 107 GLN HB3 . 6782 1 1337 . 1 1 107 107 GLN HG2 H 1 2.45 0.02 . 2 . . . . 107 GLN HG2 . 6782 1 1338 . 1 1 107 107 GLN HG3 H 1 2.75 0.02 . 2 . . . . 107 GLN HG3 . 6782 1 1339 . 1 1 107 107 GLN HE21 H 1 7.98 0.02 . 2 . . . . 107 GLN HE21 . 6782 1 1340 . 1 1 107 107 GLN HE22 H 1 7.72 0.02 . 2 . . . . 107 GLN HE22 . 6782 1 1341 . 1 1 107 107 GLN C C 13 175.6 0.2 . 1 . . . . 107 GLN C . 6782 1 1342 . 1 1 107 107 GLN CA C 13 57.4 0.2 . 1 . . . . 107 GLN CA . 6782 1 1343 . 1 1 107 107 GLN CB C 13 27.6 0.2 . 1 . . . . 107 GLN CB . 6782 1 1344 . 1 1 107 107 GLN CG C 13 35.2 0.2 . 1 . . . . 107 GLN CG . 6782 1 1345 . 1 1 107 107 GLN CD C 13 180.8 0.2 . 1 . . . . 107 GLN CD . 6782 1 1346 . 1 1 107 107 GLN N N 15 114.3 0.2 . 1 . . . . 107 GLN N . 6782 1 1347 . 1 1 107 107 GLN NE2 N 15 110.5 0.2 . 1 . . . . 107 GLN NE2 . 6782 1 1348 . 1 1 108 108 HIS H H 1 6.63 0.02 . 1 . . . . 108 HIS H . 6782 1 1349 . 1 1 108 108 HIS HA H 1 5.13 0.02 . 1 . . . . 108 HIS HA . 6782 1 1350 . 1 1 108 108 HIS HB2 H 1 2.69 0.02 . 2 . . . . 108 HIS HB2 . 6782 1 1351 . 1 1 108 108 HIS HB3 H 1 2.83 0.02 . 2 . . . . 108 HIS HB3 . 6782 1 1352 . 1 1 108 108 HIS HD2 H 1 7.47 0.02 . 1 . . . . 108 HIS HD2 . 6782 1 1353 . 1 1 108 108 HIS HE1 H 1 8.41 0.02 . 1 . . . . 108 HIS HE1 . 6782 1 1354 . 1 1 108 108 HIS C C 13 174.9 0.2 . 1 . . . . 108 HIS C . 6782 1 1355 . 1 1 108 108 HIS CA C 13 54.1 0.2 . 1 . . . . 108 HIS CA . 6782 1 1356 . 1 1 108 108 HIS CB C 13 30.6 0.2 . 1 . . . . 108 HIS CB . 6782 1 1357 . 1 1 108 108 HIS CD2 C 13 119.3 0.2 . 1 . . . . 108 HIS CD2 . 6782 1 1358 . 1 1 108 108 HIS CE1 C 13 138.2 0.2 . 1 . . . . 108 HIS CE1 . 6782 1 1359 . 1 1 108 108 HIS N N 15 116.4 0.2 . 1 . . . . 108 HIS N . 6782 1 1360 . 1 1 109 109 ALA H H 1 9.24 0.02 . 1 . . . . 109 ALA H . 6782 1 1361 . 1 1 109 109 ALA HA H 1 4.05 0.02 . 1 . . . . 109 ALA HA . 6782 1 1362 . 1 1 109 109 ALA HB1 H 1 1.55 0.02 . 1 . . . . 109 ALA HB . 6782 1 1363 . 1 1 109 109 ALA HB2 H 1 1.55 0.02 . 1 . . . . 109 ALA HB . 6782 1 1364 . 1 1 109 109 ALA HB3 H 1 1.55 0.02 . 1 . . . . 109 ALA HB . 6782 1 1365 . 1 1 109 109 ALA C C 13 180.4 0.2 . 1 . . . . 109 ALA C . 6782 1 1366 . 1 1 109 109 ALA CA C 13 55.9 0.2 . 1 . . . . 109 ALA CA . 6782 1 1367 . 1 1 109 109 ALA CB C 13 18.8 0.2 . 1 . . . . 109 ALA CB . 6782 1 1368 . 1 1 109 109 ALA N N 15 130.3 0.2 . 1 . . . . 109 ALA N . 6782 1 1369 . 1 1 110 110 GLU H H 1 10.13 0.02 . 1 . . . . 110 GLU H . 6782 1 1370 . 1 1 110 110 GLU HA H 1 4.21 0.02 . 1 . . . . 110 GLU HA . 6782 1 1371 . 1 1 110 110 GLU HB2 H 1 2.08 0.02 . 1 . . . . 110 GLU HB2 . 6782 1 1372 . 1 1 110 110 GLU HB3 H 1 2.08 0.02 . 1 . . . . 110 GLU HB3 . 6782 1 1373 . 1 1 110 110 GLU HG2 H 1 2.35 0.02 . 2 . . . . 110 GLU HG2 . 6782 1 1374 . 1 1 110 110 GLU HG3 H 1 2.42 0.02 . 2 . . . . 110 GLU HG3 . 6782 1 1375 . 1 1 110 110 GLU C C 13 179.5 0.2 . 1 . . . . 110 GLU C . 6782 1 1376 . 1 1 110 110 GLU CA C 13 59.3 0.2 . 1 . . . . 110 GLU CA . 6782 1 1377 . 1 1 110 110 GLU CB C 13 29.3 0.2 . 1 . . . . 110 GLU CB . 6782 1 1378 . 1 1 110 110 GLU CG C 13 36.6 0.2 . 1 . . . . 110 GLU CG . 6782 1 1379 . 1 1 110 110 GLU N N 15 118.4 0.2 . 1 . . . . 110 GLU N . 6782 1 1380 . 1 1 111 111 LEU H H 1 6.90 0.02 . 1 . . . . 111 LEU H . 6782 1 1381 . 1 1 111 111 LEU HA H 1 4.02 0.02 . 1 . . . . 111 LEU HA . 6782 1 1382 . 1 1 111 111 LEU HB2 H 1 1.02 0.02 . 2 . . . . 111 LEU HB2 . 6782 1 1383 . 1 1 111 111 LEU HB3 H 1 1.51 0.02 . 2 . . . . 111 LEU HB3 . 6782 1 1384 . 1 1 111 111 LEU HG H 1 0.07 0.02 . 1 . . . . 111 LEU HG . 6782 1 1385 . 1 1 111 111 LEU HD11 H 1 -0.66 0.02 . 1 . . . . 111 LEU HD1 . 6782 1 1386 . 1 1 111 111 LEU HD12 H 1 -0.66 0.02 . 1 . . . . 111 LEU HD1 . 6782 1 1387 . 1 1 111 111 LEU HD13 H 1 -0.66 0.02 . 1 . . . . 111 LEU HD1 . 6782 1 1388 . 1 1 111 111 LEU HD21 H 1 -0.18 0.02 . 1 . . . . 111 LEU HD2 . 6782 1 1389 . 1 1 111 111 LEU HD22 H 1 -0.18 0.02 . 1 . . . . 111 LEU HD2 . 6782 1 1390 . 1 1 111 111 LEU HD23 H 1 -0.18 0.02 . 1 . . . . 111 LEU HD2 . 6782 1 1391 . 1 1 111 111 LEU C C 13 178.6 0.2 . 1 . . . . 111 LEU C . 6782 1 1392 . 1 1 111 111 LEU CA C 13 56.3 0.2 . 1 . . . . 111 LEU CA . 6782 1 1393 . 1 1 111 111 LEU CB C 13 40.9 0.2 . 1 . . . . 111 LEU CB . 6782 1 1394 . 1 1 111 111 LEU CG C 13 25.3 0.2 . 1 . . . . 111 LEU CG . 6782 1 1395 . 1 1 111 111 LEU CD1 C 13 25.3 0.2 . 1 . . . . 111 LEU CD1 . 6782 1 1396 . 1 1 111 111 LEU CD2 C 13 22.5 0.2 . 1 . . . . 111 LEU CD2 . 6782 1 1397 . 1 1 111 111 LEU N N 15 118.8 0.2 . 1 . . . . 111 LEU N . 6782 1 1398 . 1 1 112 112 ARG H H 1 8.02 0.02 . 1 . . . . 112 ARG H . 6782 1 1399 . 1 1 112 112 ARG HA H 1 3.96 0.02 . 1 . . . . 112 ARG HA . 6782 1 1400 . 1 1 112 112 ARG HB2 H 1 2.07 0.02 . 2 . . . . 112 ARG HB2 . 6782 1 1401 . 1 1 112 112 ARG HB3 H 1 2.70 0.02 . 2 . . . . 112 ARG HB3 . 6782 1 1402 . 1 1 112 112 ARG HG2 H 1 1.56 0.02 . 2 . . . . 112 ARG HG2 . 6782 1 1403 . 1 1 112 112 ARG HG3 H 1 1.69 0.02 . 2 . . . . 112 ARG HG3 . 6782 1 1404 . 1 1 112 112 ARG HD2 H 1 3.31 0.02 . 2 . . . . 112 ARG HD2 . 6782 1 1405 . 1 1 112 112 ARG HD3 H 1 3.42 0.02 . 2 . . . . 112 ARG HD3 . 6782 1 1406 . 1 1 112 112 ARG C C 13 177.5 0.2 . 1 . . . . 112 ARG C . 6782 1 1407 . 1 1 112 112 ARG CA C 13 61.1 0.2 . 1 . . . . 112 ARG CA . 6782 1 1408 . 1 1 112 112 ARG CB C 13 29.8 0.2 . 1 . . . . 112 ARG CB . 6782 1 1409 . 1 1 112 112 ARG CG C 13 28.5 0.2 . 1 . . . . 112 ARG CG . 6782 1 1410 . 1 1 112 112 ARG CD C 13 44.0 0.2 . 1 . . . . 112 ARG CD . 6782 1 1411 . 1 1 112 112 ARG N N 15 121.7 0.2 . 1 . . . . 112 ARG N . 6782 1 1412 . 1 1 113 113 ALA H H 1 7.92 0.02 . 1 . . . . 113 ALA H . 6782 1 1413 . 1 1 113 113 ALA HA H 1 4.11 0.02 . 1 . . . . 113 ALA HA . 6782 1 1414 . 1 1 113 113 ALA HB1 H 1 1.53 0.02 . 1 . . . . 113 ALA HB . 6782 1 1415 . 1 1 113 113 ALA HB2 H 1 1.53 0.02 . 1 . . . . 113 ALA HB . 6782 1 1416 . 1 1 113 113 ALA HB3 H 1 1.53 0.02 . 1 . . . . 113 ALA HB . 6782 1 1417 . 1 1 113 113 ALA C C 13 180.4 0.2 . 1 . . . . 113 ALA C . 6782 1 1418 . 1 1 113 113 ALA CA C 13 55.2 0.2 . 1 . . . . 113 ALA CA . 6782 1 1419 . 1 1 113 113 ALA CB C 13 17.9 0.2 . 1 . . . . 113 ALA CB . 6782 1 1420 . 1 1 113 113 ALA N N 15 118.5 0.2 . 1 . . . . 113 ALA N . 6782 1 1421 . 1 1 114 114 LEU H H 1 7.48 0.02 . 1 . . . . 114 LEU H . 6782 1 1422 . 1 1 114 114 LEU HA H 1 4.23 0.02 . 1 . . . . 114 LEU HA . 6782 1 1423 . 1 1 114 114 LEU HB2 H 1 1.79 0.02 . 2 . . . . 114 LEU HB2 . 6782 1 1424 . 1 1 114 114 LEU HB3 H 1 2.16 0.02 . 2 . . . . 114 LEU HB3 . 6782 1 1425 . 1 1 114 114 LEU HG H 1 1.75 0.02 . 1 . . . . 114 LEU HG . 6782 1 1426 . 1 1 114 114 LEU HD11 H 1 0.94 0.02 . 1 . . . . 114 LEU HD1 . 6782 1 1427 . 1 1 114 114 LEU HD12 H 1 0.94 0.02 . 1 . . . . 114 LEU HD1 . 6782 1 1428 . 1 1 114 114 LEU HD13 H 1 0.94 0.02 . 1 . . . . 114 LEU HD1 . 6782 1 1429 . 1 1 114 114 LEU HD21 H 1 0.75 0.02 . 1 . . . . 114 LEU HD2 . 6782 1 1430 . 1 1 114 114 LEU HD22 H 1 0.75 0.02 . 1 . . . . 114 LEU HD2 . 6782 1 1431 . 1 1 114 114 LEU HD23 H 1 0.75 0.02 . 1 . . . . 114 LEU HD2 . 6782 1 1432 . 1 1 114 114 LEU C C 13 178.4 0.2 . 1 . . . . 114 LEU C . 6782 1 1433 . 1 1 114 114 LEU CA C 13 58.0 0.2 . 1 . . . . 114 LEU CA . 6782 1 1434 . 1 1 114 114 LEU CB C 13 42.9 0.2 . 1 . . . . 114 LEU CB . 6782 1 1435 . 1 1 114 114 LEU CG C 13 26.8 0.2 . 1 . . . . 114 LEU CG . 6782 1 1436 . 1 1 114 114 LEU CD1 C 13 23.3 0.2 . 1 . . . . 114 LEU CD1 . 6782 1 1437 . 1 1 114 114 LEU CD2 C 13 26.2 0.2 . 1 . . . . 114 LEU CD2 . 6782 1 1438 . 1 1 114 114 LEU N N 15 120.3 0.2 . 1 . . . . 114 LEU N . 6782 1 1439 . 1 1 115 115 LEU H H 1 8.58 0.02 . 1 . . . . 115 LEU H . 6782 1 1440 . 1 1 115 115 LEU HA H 1 4.18 0.02 . 1 . . . . 115 LEU HA . 6782 1 1441 . 1 1 115 115 LEU HB2 H 1 1.40 0.02 . 2 . . . . 115 LEU HB2 . 6782 1 1442 . 1 1 115 115 LEU HB3 H 1 1.86 0.02 . 2 . . . . 115 LEU HB3 . 6782 1 1443 . 1 1 115 115 LEU HG H 1 0.86 0.02 . 1 . . . . 115 LEU HG . 6782 1 1444 . 1 1 115 115 LEU HD11 H 1 0.00 0.02 . 1 . . . . 115 LEU HD1 . 6782 1 1445 . 1 1 115 115 LEU HD12 H 1 0.00 0.02 . 1 . . . . 115 LEU HD1 . 6782 1 1446 . 1 1 115 115 LEU HD13 H 1 0.00 0.02 . 1 . . . . 115 LEU HD1 . 6782 1 1447 . 1 1 115 115 LEU HD21 H 1 -0.14 0.02 . 1 . . . . 115 LEU HD2 . 6782 1 1448 . 1 1 115 115 LEU HD22 H 1 -0.14 0.02 . 1 . . . . 115 LEU HD2 . 6782 1 1449 . 1 1 115 115 LEU HD23 H 1 -0.14 0.02 . 1 . . . . 115 LEU HD2 . 6782 1 1450 . 1 1 115 115 LEU C C 13 181.2 0.2 . 1 . . . . 115 LEU C . 6782 1 1451 . 1 1 115 115 LEU CA C 13 58.2 0.2 . 1 . . . . 115 LEU CA . 6782 1 1452 . 1 1 115 115 LEU CB C 13 41.9 0.2 . 1 . . . . 115 LEU CB . 6782 1 1453 . 1 1 115 115 LEU CG C 13 27.3 0.2 . 1 . . . . 115 LEU CG . 6782 1 1454 . 1 1 115 115 LEU CD1 C 13 22.6 0.2 . 1 . . . . 115 LEU CD1 . 6782 1 1455 . 1 1 115 115 LEU CD2 C 13 23.9 0.2 . 1 . . . . 115 LEU CD2 . 6782 1 1456 . 1 1 115 115 LEU N N 15 117.0 0.2 . 1 . . . . 115 LEU N . 6782 1 1457 . 1 1 116 116 LEU H H 1 8.76 0.02 . 1 . . . . 116 LEU H . 6782 1 1458 . 1 1 116 116 LEU HA H 1 3.86 0.02 . 1 . . . . 116 LEU HA . 6782 1 1459 . 1 1 116 116 LEU HB2 H 1 1.55 0.02 . 2 . . . . 116 LEU HB2 . 6782 1 1460 . 1 1 116 116 LEU HB3 H 1 1.91 0.02 . 2 . . . . 116 LEU HB3 . 6782 1 1461 . 1 1 116 116 LEU HG H 1 1.85 0.02 . 1 . . . . 116 LEU HG . 6782 1 1462 . 1 1 116 116 LEU HD11 H 1 0.89 0.02 . 1 . . . . 116 LEU HD1 . 6782 1 1463 . 1 1 116 116 LEU HD12 H 1 0.89 0.02 . 1 . . . . 116 LEU HD1 . 6782 1 1464 . 1 1 116 116 LEU HD13 H 1 0.89 0.02 . 1 . . . . 116 LEU HD1 . 6782 1 1465 . 1 1 116 116 LEU HD21 H 1 0.87 0.02 . 1 . . . . 116 LEU HD2 . 6782 1 1466 . 1 1 116 116 LEU HD22 H 1 0.87 0.02 . 1 . . . . 116 LEU HD2 . 6782 1 1467 . 1 1 116 116 LEU HD23 H 1 0.87 0.02 . 1 . . . . 116 LEU HD2 . 6782 1 1468 . 1 1 116 116 LEU C C 13 179.6 0.2 . 1 . . . . 116 LEU C . 6782 1 1469 . 1 1 116 116 LEU CA C 13 59.1 0.2 . 1 . . . . 116 LEU CA . 6782 1 1470 . 1 1 116 116 LEU CB C 13 40.9 0.2 . 1 . . . . 116 LEU CB . 6782 1 1471 . 1 1 116 116 LEU CG C 13 27.7 0.2 . 1 . . . . 116 LEU CG . 6782 1 1472 . 1 1 116 116 LEU CD1 C 13 25.5 0.2 . 1 . . . . 116 LEU CD1 . 6782 1 1473 . 1 1 116 116 LEU CD2 C 13 23.5 0.2 . 1 . . . . 116 LEU CD2 . 6782 1 1474 . 1 1 116 116 LEU N N 15 120.5 0.2 . 1 . . . . 116 LEU N . 6782 1 1475 . 1 1 117 117 ALA H H 1 7.94 0.02 . 1 . . . . 117 ALA H . 6782 1 1476 . 1 1 117 117 ALA HA H 1 4.35 0.02 . 1 . . . . 117 ALA HA . 6782 1 1477 . 1 1 117 117 ALA HB1 H 1 1.68 0.02 . 1 . . . . 117 ALA HB . 6782 1 1478 . 1 1 117 117 ALA HB2 H 1 1.68 0.02 . 1 . . . . 117 ALA HB . 6782 1 1479 . 1 1 117 117 ALA HB3 H 1 1.68 0.02 . 1 . . . . 117 ALA HB . 6782 1 1480 . 1 1 117 117 ALA C C 13 178.2 0.2 . 1 . . . . 117 ALA C . 6782 1 1481 . 1 1 117 117 ALA CA C 13 54.1 0.2 . 1 . . . . 117 ALA CA . 6782 1 1482 . 1 1 117 117 ALA CB C 13 18.3 0.2 . 1 . . . . 117 ALA CB . 6782 1 1483 . 1 1 117 117 ALA N N 15 120.3 0.2 . 1 . . . . 117 ALA N . 6782 1 1484 . 1 1 118 118 THR H H 1 7.46 0.02 . 1 . . . . 118 THR H . 6782 1 1485 . 1 1 118 118 THR HA H 1 4.26 0.02 . 1 . . . . 118 THR HA . 6782 1 1486 . 1 1 118 118 THR HB H 1 4.16 0.02 . 1 . . . . 118 THR HB . 6782 1 1487 . 1 1 118 118 THR HG1 H 1 5.85 0.02 . 1 . . . . 118 THR HG1 . 6782 1 1488 . 1 1 118 118 THR HG21 H 1 1.58 0.02 . 1 . . . . 118 THR HG2 . 6782 1 1489 . 1 1 118 118 THR HG22 H 1 1.58 0.02 . 1 . . . . 118 THR HG2 . 6782 1 1490 . 1 1 118 118 THR HG23 H 1 1.58 0.02 . 1 . . . . 118 THR HG2 . 6782 1 1491 . 1 1 118 118 THR C C 13 175.1 0.2 . 1 . . . . 118 THR C . 6782 1 1492 . 1 1 118 118 THR CA C 13 62.8 0.2 . 1 . . . . 118 THR CA . 6782 1 1493 . 1 1 118 118 THR CB C 13 71.7 0.2 . 1 . . . . 118 THR CB . 6782 1 1494 . 1 1 118 118 THR CG2 C 13 22.4 0.2 . 1 . . . . 118 THR CG2 . 6782 1 1495 . 1 1 118 118 THR N N 15 104.6 0.2 . 1 . . . . 118 THR N . 6782 1 1496 . 1 1 119 119 ALA H H 1 7.30 0.02 . 1 . . . . 119 ALA H . 6782 1 1497 . 1 1 119 119 ALA HA H 1 3.95 0.02 . 1 . . . . 119 ALA HA . 6782 1 1498 . 1 1 119 119 ALA HB1 H 1 1.34 0.02 . 1 . . . . 119 ALA HB . 6782 1 1499 . 1 1 119 119 ALA HB2 H 1 1.34 0.02 . 1 . . . . 119 ALA HB . 6782 1 1500 . 1 1 119 119 ALA HB3 H 1 1.34 0.02 . 1 . . . . 119 ALA HB . 6782 1 1501 . 1 1 119 119 ALA CA C 13 51.6 0.2 . 1 . . . . 119 ALA CA . 6782 1 1502 . 1 1 119 119 ALA CB C 13 17.6 0.2 . 1 . . . . 119 ALA CB . 6782 1 1503 . 1 1 119 119 ALA N N 15 124.7 0.2 . 1 . . . . 119 ALA N . 6782 1 1504 . 1 1 120 120 PRO HA H 1 4.61 0.02 . 1 . . . . 120 PRO HA . 6782 1 1505 . 1 1 120 120 PRO HB2 H 1 1.96 0.02 . 2 . . . . 120 PRO HB2 . 6782 1 1506 . 1 1 120 120 PRO HB3 H 1 2.51 0.02 . 2 . . . . 120 PRO HB3 . 6782 1 1507 . 1 1 120 120 PRO HG2 H 1 1.46 0.02 . 2 . . . . 120 PRO HG2 . 6782 1 1508 . 1 1 120 120 PRO HG3 H 1 1.97 0.02 . 2 . . . . 120 PRO HG3 . 6782 1 1509 . 1 1 120 120 PRO HD2 H 1 3.21 0.02 . 2 . . . . 120 PRO HD2 . 6782 1 1510 . 1 1 120 120 PRO HD3 H 1 3.54 0.02 . 2 . . . . 120 PRO HD3 . 6782 1 1511 . 1 1 120 120 PRO C C 13 175.0 0.2 . 1 . . . . 120 PRO C . 6782 1 1512 . 1 1 120 120 PRO CA C 13 64.1 0.2 . 1 . . . . 120 PRO CA . 6782 1 1513 . 1 1 120 120 PRO CB C 13 32.5 0.2 . 1 . . . . 120 PRO CB . 6782 1 1514 . 1 1 120 120 PRO CG C 13 24.1 0.2 . 1 . . . . 120 PRO CG . 6782 1 1515 . 1 1 120 120 PRO CD C 13 49.0 0.2 . 1 . . . . 120 PRO CD . 6782 1 1516 . 1 1 121 121 ALA H H 1 9.02 0.02 . 1 . . . . 121 ALA H . 6782 1 1517 . 1 1 121 121 ALA HA H 1 4.19 0.02 . 1 . . . . 121 ALA HA . 6782 1 1518 . 1 1 121 121 ALA HB1 H 1 1.30 0.02 . 1 . . . . 121 ALA HB . 6782 1 1519 . 1 1 121 121 ALA HB2 H 1 1.30 0.02 . 1 . . . . 121 ALA HB . 6782 1 1520 . 1 1 121 121 ALA HB3 H 1 1.30 0.02 . 1 . . . . 121 ALA HB . 6782 1 1521 . 1 1 121 121 ALA C C 13 178.5 0.2 . 1 . . . . 121 ALA C . 6782 1 1522 . 1 1 121 121 ALA CA C 13 53.5 0.2 . 1 . . . . 121 ALA CA . 6782 1 1523 . 1 1 121 121 ALA CB C 13 19.8 0.2 . 1 . . . . 121 ALA CB . 6782 1 1524 . 1 1 121 121 ALA N N 15 127.1 0.2 . 1 . . . . 121 ALA N . 6782 1 1525 . 1 1 122 122 LYS H H 1 8.36 0.02 . 1 . . . . 122 LYS H . 6782 1 1526 . 1 1 122 122 LYS HA H 1 4.42 0.02 . 1 . . . . 122 LYS HA . 6782 1 1527 . 1 1 122 122 LYS HB2 H 1 1.73 0.02 . 2 . . . . 122 LYS HB2 . 6782 1 1528 . 1 1 122 122 LYS HB3 H 1 1.88 0.02 . 2 . . . . 122 LYS HB3 . 6782 1 1529 . 1 1 122 122 LYS HG2 H 1 1.20 0.02 . 2 . . . . 122 LYS HG2 . 6782 1 1530 . 1 1 122 122 LYS HG3 H 1 1.37 0.02 . 2 . . . . 122 LYS HG3 . 6782 1 1531 . 1 1 122 122 LYS HD2 H 1 1.56 0.02 . 2 . . . . 122 LYS HD2 . 6782 1 1532 . 1 1 122 122 LYS HD3 H 1 1.62 0.02 . 2 . . . . 122 LYS HD3 . 6782 1 1533 . 1 1 122 122 LYS HE2 H 1 2.82 0.02 . 2 . . . . 122 LYS HE2 . 6782 1 1534 . 1 1 122 122 LYS HE3 H 1 2.90 0.02 . 2 . . . . 122 LYS HE3 . 6782 1 1535 . 1 1 122 122 LYS C C 13 174.7 0.2 . 1 . . . . 122 LYS C . 6782 1 1536 . 1 1 122 122 LYS CA C 13 56.2 0.2 . 1 . . . . 122 LYS CA . 6782 1 1537 . 1 1 122 122 LYS CB C 13 33.2 0.2 . 1 . . . . 122 LYS CB . 6782 1 1538 . 1 1 122 122 LYS CG C 13 25.5 0.2 . 1 . . . . 122 LYS CG . 6782 1 1539 . 1 1 122 122 LYS CD C 13 29.4 0.2 . 1 . . . . 122 LYS CD . 6782 1 1540 . 1 1 122 122 LYS CE C 13 42.0 0.2 . 1 . . . . 122 LYS CE . 6782 1 1541 . 1 1 122 122 LYS N N 15 123.4 0.2 . 1 . . . . 122 LYS N . 6782 1 1542 . 1 1 123 123 LEU H H 1 7.66 0.02 . 1 . . . . 123 LEU H . 6782 1 1543 . 1 1 123 123 LEU HA H 1 5.04 0.02 . 1 . . . . 123 LEU HA . 6782 1 1544 . 1 1 123 123 LEU HB2 H 1 1.12 0.02 . 2 . . . . 123 LEU HB2 . 6782 1 1545 . 1 1 123 123 LEU HB3 H 1 1.88 0.02 . 2 . . . . 123 LEU HB3 . 6782 1 1546 . 1 1 123 123 LEU HG H 1 1.51 0.02 . 1 . . . . 123 LEU HG . 6782 1 1547 . 1 1 123 123 LEU HD11 H 1 0.36 0.02 . 1 . . . . 123 LEU HD1 . 6782 1 1548 . 1 1 123 123 LEU HD12 H 1 0.36 0.02 . 1 . . . . 123 LEU HD1 . 6782 1 1549 . 1 1 123 123 LEU HD13 H 1 0.36 0.02 . 1 . . . . 123 LEU HD1 . 6782 1 1550 . 1 1 123 123 LEU HD21 H 1 0.67 0.02 . 1 . . . . 123 LEU HD2 . 6782 1 1551 . 1 1 123 123 LEU HD22 H 1 0.67 0.02 . 1 . . . . 123 LEU HD2 . 6782 1 1552 . 1 1 123 123 LEU HD23 H 1 0.67 0.02 . 1 . . . . 123 LEU HD2 . 6782 1 1553 . 1 1 123 123 LEU C C 13 175.9 0.2 . 1 . . . . 123 LEU C . 6782 1 1554 . 1 1 123 123 LEU CA C 13 53.0 0.2 . 1 . . . . 123 LEU CA . 6782 1 1555 . 1 1 123 123 LEU CB C 13 43.4 0.2 . 1 . . . . 123 LEU CB . 6782 1 1556 . 1 1 123 123 LEU CG C 13 26.6 0.2 . 1 . . . . 123 LEU CG . 6782 1 1557 . 1 1 123 123 LEU CD1 C 13 25.9 0.2 . 1 . . . . 123 LEU CD1 . 6782 1 1558 . 1 1 123 123 LEU CD2 C 13 23.2 0.2 . 1 . . . . 123 LEU CD2 . 6782 1 1559 . 1 1 123 123 LEU N N 15 126.4 0.2 . 1 . . . . 123 LEU N . 6782 1 1560 . 1 1 124 124 VAL H H 1 9.00 0.02 . 1 . . . . 124 VAL H . 6782 1 1561 . 1 1 124 124 VAL HA H 1 4.34 0.02 . 1 . . . . 124 VAL HA . 6782 1 1562 . 1 1 124 124 VAL HB H 1 2.22 0.02 . 1 . . . . 124 VAL HB . 6782 1 1563 . 1 1 124 124 VAL HG11 H 1 0.66 0.02 . 2 . . . . 124 VAL HG1 . 6782 1 1564 . 1 1 124 124 VAL HG12 H 1 0.66 0.02 . 2 . . . . 124 VAL HG1 . 6782 1 1565 . 1 1 124 124 VAL HG13 H 1 0.66 0.02 . 2 . . . . 124 VAL HG1 . 6782 1 1566 . 1 1 124 124 VAL HG21 H 1 0.66 0.02 . 2 . . . . 124 VAL HG2 . 6782 1 1567 . 1 1 124 124 VAL HG22 H 1 0.66 0.02 . 2 . . . . 124 VAL HG2 . 6782 1 1568 . 1 1 124 124 VAL HG23 H 1 0.66 0.02 . 2 . . . . 124 VAL HG2 . 6782 1 1569 . 1 1 124 124 VAL C C 13 174.1 0.2 . 1 . . . . 124 VAL C . 6782 1 1570 . 1 1 124 124 VAL CA C 13 60.5 0.2 . 1 . . . . 124 VAL CA . 6782 1 1571 . 1 1 124 124 VAL CB C 13 35.4 0.2 . 1 . . . . 124 VAL CB . 6782 1 1572 . 1 1 124 124 VAL CG1 C 13 21.3 0.2 . 1 . . . . 124 VAL CG1 . 6782 1 1573 . 1 1 124 124 VAL CG2 C 13 21.3 0.2 . 1 . . . . 124 VAL CG2 . 6782 1 1574 . 1 1 124 124 VAL N N 15 122.8 0.2 . 1 . . . . 124 VAL N . 6782 1 1575 . 1 1 125 125 GLU H H 1 7.93 0.02 . 1 . . . . 125 GLU H . 6782 1 1576 . 1 1 125 125 GLU HA H 1 3.67 0.02 . 1 . . . . 125 GLU HA . 6782 1 1577 . 1 1 125 125 GLU HB2 H 1 1.44 0.02 . 2 . . . . 125 GLU HB2 . 6782 1 1578 . 1 1 125 125 GLU HB3 H 1 2.54 0.02 . 2 . . . . 125 GLU HB3 . 6782 1 1579 . 1 1 125 125 GLU HG2 H 1 2.00 0.02 . 2 . . . . 125 GLU HG2 . 6782 1 1580 . 1 1 125 125 GLU HG3 H 1 2.15 0.02 . 2 . . . . 125 GLU HG3 . 6782 1 1581 . 1 1 125 125 GLU C C 13 173.6 0.2 . 1 . . . . 125 GLU C . 6782 1 1582 . 1 1 125 125 GLU CA C 13 54.2 0.2 . 1 . . . . 125 GLU CA . 6782 1 1583 . 1 1 125 125 GLU CB C 13 26.8 0.2 . 1 . . . . 125 GLU CB . 6782 1 1584 . 1 1 125 125 GLU CG C 13 34.6 0.2 . 1 . . . . 125 GLU CG . 6782 1 1585 . 1 1 125 125 GLU N N 15 126.7 0.2 . 1 . . . . 125 GLU N . 6782 1 1586 . 1 1 126 126 HIS H H 1 8.37 0.02 . 1 . . . . 126 HIS H . 6782 1 1587 . 1 1 126 126 HIS HA H 1 5.06 0.02 . 1 . . . . 126 HIS HA . 6782 1 1588 . 1 1 126 126 HIS HB2 H 1 2.72 0.02 . 2 . . . . 126 HIS HB2 . 6782 1 1589 . 1 1 126 126 HIS HB3 H 1 3.10 0.02 . 2 . . . . 126 HIS HB3 . 6782 1 1590 . 1 1 126 126 HIS HD2 H 1 7.12 0.02 . 1 . . . . 126 HIS HD2 . 6782 1 1591 . 1 1 126 126 HIS HE1 H 1 8.52 0.02 . 1 . . . . 126 HIS HE1 . 6782 1 1592 . 1 1 126 126 HIS C C 13 172.4 0.2 . 1 . . . . 126 HIS C . 6782 1 1593 . 1 1 126 126 HIS CA C 13 52.9 0.2 . 1 . . . . 126 HIS CA . 6782 1 1594 . 1 1 126 126 HIS CB C 13 28.9 0.2 . 1 . . . . 126 HIS CB . 6782 1 1595 . 1 1 126 126 HIS CD2 C 13 120.2 0.2 . 1 . . . . 126 HIS CD2 . 6782 1 1596 . 1 1 126 126 HIS CE1 C 13 137.0 0.2 . 1 . . . . 126 HIS CE1 . 6782 1 1597 . 1 1 126 126 HIS N N 15 131.1 0.2 . 1 . . . . 126 HIS N . 6782 1 1598 . 1 1 127 127 THR H H 1 7.74 0.02 . 1 . . . . 127 THR H . 6782 1 1599 . 1 1 127 127 THR HA H 1 3.92 0.02 . 1 . . . . 127 THR HA . 6782 1 1600 . 1 1 127 127 THR HB H 1 3.38 0.02 . 1 . . . . 127 THR HB . 6782 1 1601 . 1 1 127 127 THR HG21 H 1 1.00 0.02 . 1 . . . . 127 THR HG2 . 6782 1 1602 . 1 1 127 127 THR HG22 H 1 1.00 0.02 . 1 . . . . 127 THR HG2 . 6782 1 1603 . 1 1 127 127 THR HG23 H 1 1.00 0.02 . 1 . . . . 127 THR HG2 . 6782 1 1604 . 1 1 127 127 THR C C 13 171.6 0.2 . 1 . . . . 127 THR C . 6782 1 1605 . 1 1 127 127 THR CA C 13 59.2 0.2 . 1 . . . . 127 THR CA . 6782 1 1606 . 1 1 127 127 THR CB C 13 67.6 0.2 . 1 . . . . 127 THR CB . 6782 1 1607 . 1 1 127 127 THR CG2 C 13 18.2 0.2 . 1 . . . . 127 THR CG2 . 6782 1 1608 . 1 1 127 127 THR N N 15 119.5 0.2 . 1 . . . . 127 THR N . 6782 1 1609 . 1 1 128 128 GLU H H 1 8.63 0.02 . 1 . . . . 128 GLU H . 6782 1 1610 . 1 1 128 128 GLU HA H 1 3.62 0.02 . 1 . . . . 128 GLU HA . 6782 1 1611 . 1 1 128 128 GLU HB2 H 1 1.84 0.02 . 1 . . . . 128 GLU HB2 . 6782 1 1612 . 1 1 128 128 GLU HB3 H 1 1.84 0.02 . 1 . . . . 128 GLU HB3 . 6782 1 1613 . 1 1 128 128 GLU HG2 H 1 2.14 0.02 . 1 . . . . 128 GLU HG2 . 6782 1 1614 . 1 1 128 128 GLU HG3 H 1 2.14 0.02 . 1 . . . . 128 GLU HG3 . 6782 1 1615 . 1 1 128 128 GLU C C 13 176.7 0.2 . 1 . . . . 128 GLU C . 6782 1 1616 . 1 1 128 128 GLU CA C 13 56.8 0.2 . 1 . . . . 128 GLU CA . 6782 1 1617 . 1 1 128 128 GLU CB C 13 29.3 0.2 . 1 . . . . 128 GLU CB . 6782 1 1618 . 1 1 128 128 GLU CG C 13 35.9 0.2 . 1 . . . . 128 GLU CG . 6782 1 1619 . 1 1 128 128 GLU N N 15 125.8 0.2 . 1 . . . . 128 GLU N . 6782 1 1620 . 1 1 129 129 ASN H H 1 8.32 0.02 . 1 . . . . 129 ASN H . 6782 1 1621 . 1 1 129 129 ASN HA H 1 4.58 0.02 . 1 . . . . 129 ASN HA . 6782 1 1622 . 1 1 129 129 ASN HB2 H 1 2.62 0.02 . 2 . . . . 129 ASN HB2 . 6782 1 1623 . 1 1 129 129 ASN HB3 H 1 2.88 0.02 . 2 . . . . 129 ASN HB3 . 6782 1 1624 . 1 1 129 129 ASN HD21 H 1 7.31 0.02 . 1 . . . . 129 ASN HD21 . 6782 1 1625 . 1 1 129 129 ASN HD22 H 1 6.95 0.02 . 1 . . . . 129 ASN HD22 . 6782 1 1626 . 1 1 129 129 ASN C C 13 174.4 0.2 . 1 . . . . 129 ASN C . 6782 1 1627 . 1 1 129 129 ASN CA C 13 53.9 0.2 . 1 . . . . 129 ASN CA . 6782 1 1628 . 1 1 129 129 ASN CB C 13 39.2 0.2 . 1 . . . . 129 ASN CB . 6782 1 1629 . 1 1 129 129 ASN N N 15 116.3 0.2 . 1 . . . . 129 ASN N . 6782 1 1630 . 1 1 129 129 ASN ND2 N 15 112.4 0.2 . 1 . . . . 129 ASN ND2 . 6782 1 1631 . 1 1 130 130 ASP H H 1 6.65 0.02 . 1 . . . . 130 ASP H . 6782 1 1632 . 1 1 130 130 ASP HA H 1 4.73 0.02 . 1 . . . . 130 ASP HA . 6782 1 1633 . 1 1 130 130 ASP HB2 H 1 2.57 0.02 . 2 . . . . 130 ASP HB2 . 6782 1 1634 . 1 1 130 130 ASP HB3 H 1 2.80 0.02 . 2 . . . . 130 ASP HB3 . 6782 1 1635 . 1 1 130 130 ASP C C 13 174.7 0.2 . 1 . . . . 130 ASP C . 6782 1 1636 . 1 1 130 130 ASP CA C 13 54.9 0.2 . 1 . . . . 130 ASP CA . 6782 1 1637 . 1 1 130 130 ASP CB C 13 43.9 0.2 . 1 . . . . 130 ASP CB . 6782 1 1638 . 1 1 130 130 ASP CG C 13 176.4 0.2 . 1 . . . . 130 ASP CG . 6782 1 1639 . 1 1 130 130 ASP N N 15 117.5 0.2 . 1 . . . . 130 ASP N . 6782 1 1640 . 1 1 131 131 ALA H H 1 8.94 0.02 . 1 . . . . 131 ALA H . 6782 1 1641 . 1 1 131 131 ALA HA H 1 4.45 0.02 . 1 . . . . 131 ALA HA . 6782 1 1642 . 1 1 131 131 ALA HB1 H 1 1.52 0.02 . 1 . . . . 131 ALA HB . 6782 1 1643 . 1 1 131 131 ALA HB2 H 1 1.52 0.02 . 1 . . . . 131 ALA HB . 6782 1 1644 . 1 1 131 131 ALA HB3 H 1 1.52 0.02 . 1 . . . . 131 ALA HB . 6782 1 1645 . 1 1 131 131 ALA C C 13 176.8 0.2 . 1 . . . . 131 ALA C . 6782 1 1646 . 1 1 131 131 ALA CA C 13 51.2 0.2 . 1 . . . . 131 ALA CA . 6782 1 1647 . 1 1 131 131 ALA CB C 13 19.2 0.2 . 1 . . . . 131 ALA CB . 6782 1 1648 . 1 1 131 131 ALA N N 15 127.3 0.2 . 1 . . . . 131 ALA N . 6782 1 1649 . 1 1 132 132 TYR H H 1 9.29 0.02 . 1 . . . . 132 TYR H . 6782 1 1650 . 1 1 132 132 TYR HA H 1 4.40 0.02 . 1 . . . . 132 TYR HA . 6782 1 1651 . 1 1 132 132 TYR HB2 H 1 2.92 0.02 . 1 . . . . 132 TYR HB2 . 6782 1 1652 . 1 1 132 132 TYR HB3 H 1 2.92 0.02 . 1 . . . . 132 TYR HB3 . 6782 1 1653 . 1 1 132 132 TYR HD1 H 1 5.89 0.02 . 1 . . . . 132 TYR HD1 . 6782 1 1654 . 1 1 132 132 TYR HD2 H 1 5.89 0.02 . 1 . . . . 132 TYR HD2 . 6782 1 1655 . 1 1 132 132 TYR HE1 H 1 5.78 0.02 . 1 . . . . 132 TYR HE1 . 6782 1 1656 . 1 1 132 132 TYR HE2 H 1 5.78 0.02 . 1 . . . . 132 TYR HE2 . 6782 1 1657 . 1 1 132 132 TYR C C 13 173.6 0.2 . 1 . . . . 132 TYR C . 6782 1 1658 . 1 1 132 132 TYR CA C 13 60.3 0.2 . 1 . . . . 132 TYR CA . 6782 1 1659 . 1 1 132 132 TYR CB C 13 39.7 0.2 . 1 . . . . 132 TYR CB . 6782 1 1660 . 1 1 132 132 TYR CD1 C 13 132.6 0.2 . 1 . . . . 132 TYR CD1 . 6782 1 1661 . 1 1 132 132 TYR CD2 C 13 132.6 0.2 . 1 . . . . 132 TYR CD2 . 6782 1 1662 . 1 1 132 132 TYR CE1 C 13 119.9 0.2 . 1 . . . . 132 TYR CE1 . 6782 1 1663 . 1 1 132 132 TYR CE2 C 13 119.9 0.2 . 1 . . . . 132 TYR CE2 . 6782 1 1664 . 1 1 132 132 TYR N N 15 123.7 0.2 . 1 . . . . 132 TYR N . 6782 1 1665 . 1 1 133 133 TRP H H 1 9.07 0.02 . 1 . . . . 133 TRP H . 6782 1 1666 . 1 1 133 133 TRP HA H 1 4.38 0.02 . 1 . . . . 133 TRP HA . 6782 1 1667 . 1 1 133 133 TRP HB2 H 1 3.46 0.02 . 1 . . . . 133 TRP HB2 . 6782 1 1668 . 1 1 133 133 TRP HB3 H 1 3.46 0.02 . 1 . . . . 133 TRP HB3 . 6782 1 1669 . 1 1 133 133 TRP HD1 H 1 8.33 0.02 . 1 . . . . 133 TRP HD1 . 6782 1 1670 . 1 1 133 133 TRP HE1 H 1 10.77 0.02 . 1 . . . . 133 TRP HE1 . 6782 1 1671 . 1 1 133 133 TRP HE3 H 1 7.47 0.02 . 1 . . . . 133 TRP HE3 . 6782 1 1672 . 1 1 133 133 TRP HZ2 H 1 7.47 0.02 . 1 . . . . 133 TRP HZ2 . 6782 1 1673 . 1 1 133 133 TRP HZ3 H 1 6.93 0.02 . 1 . . . . 133 TRP HZ3 . 6782 1 1674 . 1 1 133 133 TRP HH2 H 1 6.96 0.02 . 1 . . . . 133 TRP HH2 . 6782 1 1675 . 1 1 133 133 TRP C C 13 176.4 0.2 . 1 . . . . 133 TRP C . 6782 1 1676 . 1 1 133 133 TRP CA C 13 58.0 0.2 . 1 . . . . 133 TRP CA . 6782 1 1677 . 1 1 133 133 TRP CB C 13 29.5 0.2 . 1 . . . . 133 TRP CB . 6782 1 1678 . 1 1 133 133 TRP CD1 C 13 130.1 0.2 . 1 . . . . 133 TRP CD1 . 6782 1 1679 . 1 1 133 133 TRP CE3 C 13 121.0 0.2 . 1 . . . . 133 TRP CE3 . 6782 1 1680 . 1 1 133 133 TRP CZ2 C 13 115.2 0.2 . 1 . . . . 133 TRP CZ2 . 6782 1 1681 . 1 1 133 133 TRP CZ3 C 13 121.1 0.2 . 1 . . . . 133 TRP CZ3 . 6782 1 1682 . 1 1 133 133 TRP CH2 C 13 122.8 0.2 . 1 . . . . 133 TRP CH2 . 6782 1 1683 . 1 1 133 133 TRP N N 15 121.7 0.2 . 1 . . . . 133 TRP N . 6782 1 1684 . 1 1 133 133 TRP NE1 N 15 131.6 0.2 . 1 . . . . 133 TRP NE1 . 6782 1 1685 . 1 1 134 134 GLY H H 1 6.73 0.02 . 1 . . . . 134 GLY H . 6782 1 1686 . 1 1 134 134 GLY HA2 H 1 3.78 0.02 . 2 . . . . 134 GLY HA2 . 6782 1 1687 . 1 1 134 134 GLY HA3 H 1 5.34 0.02 . 2 . . . . 134 GLY HA3 . 6782 1 1688 . 1 1 134 134 GLY C C 13 175.5 0.2 . 1 . . . . 134 GLY C . 6782 1 1689 . 1 1 134 134 GLY CA C 13 44.4 0.2 . 1 . . . . 134 GLY CA . 6782 1 1690 . 1 1 134 134 GLY N N 15 101.1 0.2 . 1 . . . . 134 GLY N . 6782 1 1691 . 1 1 135 135 ASP H H 1 8.70 0.02 . 1 . . . . 135 ASP H . 6782 1 1692 . 1 1 135 135 ASP HA H 1 4.13 0.02 . 1 . . . . 135 ASP HA . 6782 1 1693 . 1 1 135 135 ASP HB2 H 1 2.40 0.02 . 2 . . . . 135 ASP HB2 . 6782 1 1694 . 1 1 135 135 ASP HB3 H 1 2.98 0.02 . 2 . . . . 135 ASP HB3 . 6782 1 1695 . 1 1 135 135 ASP C C 13 179.1 0.2 . 1 . . . . 135 ASP C . 6782 1 1696 . 1 1 135 135 ASP CA C 13 53.4 0.2 . 1 . . . . 135 ASP CA . 6782 1 1697 . 1 1 135 135 ASP CB C 13 41.4 0.2 . 1 . . . . 135 ASP CB . 6782 1 1698 . 1 1 135 135 ASP N N 15 116.4 0.2 . 1 . . . . 135 ASP N . 6782 1 1699 . 1 1 136 136 GLY H H 1 8.18 0.02 . 1 . . . . 136 GLY H . 6782 1 1700 . 1 1 136 136 GLY HA2 H 1 3.49 0.02 . 2 . . . . 136 GLY HA2 . 6782 1 1701 . 1 1 136 136 GLY HA3 H 1 3.78 0.02 . 2 . . . . 136 GLY HA3 . 6782 1 1702 . 1 1 136 136 GLY C C 13 174.0 0.2 . 1 . . . . 136 GLY C . 6782 1 1703 . 1 1 136 136 GLY CA C 13 46.7 0.2 . 1 . . . . 136 GLY CA . 6782 1 1704 . 1 1 136 136 GLY N N 15 111.1 0.2 . 1 . . . . 136 GLY N . 6782 1 1705 . 1 1 137 137 GLY H H 1 8.57 0.02 . 1 . . . . 137 GLY H . 6782 1 1706 . 1 1 137 137 GLY HA2 H 1 2.72 0.02 . 2 . . . . 137 GLY HA2 . 6782 1 1707 . 1 1 137 137 GLY HA3 H 1 4.01 0.02 . 2 . . . . 137 GLY HA3 . 6782 1 1708 . 1 1 137 137 GLY C C 13 174.6 0.2 . 1 . . . . 137 GLY C . 6782 1 1709 . 1 1 137 137 GLY CA C 13 45.8 0.2 . 1 . . . . 137 GLY CA . 6782 1 1710 . 1 1 137 137 GLY N N 15 112.9 0.2 . 1 . . . . 137 GLY N . 6782 1 1711 . 1 1 138 138 HIS H H 1 7.48 0.02 . 1 . . . . 138 HIS H . 6782 1 1712 . 1 1 138 138 HIS HA H 1 4.69 0.02 . 1 . . . . 138 HIS HA . 6782 1 1713 . 1 1 138 138 HIS HB2 H 1 3.13 0.02 . 2 . . . . 138 HIS HB2 . 6782 1 1714 . 1 1 138 138 HIS HB3 H 1 3.32 0.02 . 2 . . . . 138 HIS HB3 . 6782 1 1715 . 1 1 138 138 HIS HD2 H 1 7.18 0.02 . 1 . . . . 138 HIS HD2 . 6782 1 1716 . 1 1 138 138 HIS HE1 H 1 7.81 0.02 . 1 . . . . 138 HIS HE1 . 6782 1 1717 . 1 1 138 138 HIS C C 13 176.8 0.2 . 1 . . . . 138 HIS C . 6782 1 1718 . 1 1 138 138 HIS CA C 13 55.2 0.2 . 1 . . . . 138 HIS CA . 6782 1 1719 . 1 1 138 138 HIS CB C 13 30.2 0.2 . 1 . . . . 138 HIS CB . 6782 1 1720 . 1 1 138 138 HIS CD2 C 13 120.2 0.2 . 1 . . . . 138 HIS CD2 . 6782 1 1721 . 1 1 138 138 HIS CE1 C 13 138.6 0.2 . 1 . . . . 138 HIS CE1 . 6782 1 1722 . 1 1 138 138 HIS N N 15 116.7 0.2 . 1 . . . . 138 HIS N . 6782 1 1723 . 1 1 139 139 GLY H H 1 7.28 0.02 . 1 . . . . 139 GLY H . 6782 1 1724 . 1 1 139 139 GLY HA2 H 1 3.78 0.02 . 2 . . . . 139 GLY HA2 . 6782 1 1725 . 1 1 139 139 GLY HA3 H 1 4.50 0.02 . 2 . . . . 139 GLY HA3 . 6782 1 1726 . 1 1 139 139 GLY C C 13 175.5 0.2 . 1 . . . . 139 GLY C . 6782 1 1727 . 1 1 139 139 GLY CA C 13 46.4 0.2 . 1 . . . . 139 GLY CA . 6782 1 1728 . 1 1 139 139 GLY N N 15 105.7 0.2 . 1 . . . . 139 GLY N . 6782 1 1729 . 1 1 140 140 LYS H H 1 9.68 0.02 . 1 . . . . 140 LYS H . 6782 1 1730 . 1 1 140 140 LYS HA H 1 4.58 0.02 . 1 . . . . 140 LYS HA . 6782 1 1731 . 1 1 140 140 LYS HB2 H 1 1.73 0.02 . 2 . . . . 140 LYS HB2 . 6782 1 1732 . 1 1 140 140 LYS HB3 H 1 2.04 0.02 . 2 . . . . 140 LYS HB3 . 6782 1 1733 . 1 1 140 140 LYS HG2 H 1 1.37 0.02 . 1 . . . . 140 LYS HG2 . 6782 1 1734 . 1 1 140 140 LYS HG3 H 1 1.37 0.02 . 1 . . . . 140 LYS HG3 . 6782 1 1735 . 1 1 140 140 LYS HD2 H 1 1.52 0.02 . 2 . . . . 140 LYS HD2 . 6782 1 1736 . 1 1 140 140 LYS HD3 H 1 1.61 0.02 . 2 . . . . 140 LYS HD3 . 6782 1 1737 . 1 1 140 140 LYS HE2 H 1 2.89 0.02 . 1 . . . . 140 LYS HE2 . 6782 1 1738 . 1 1 140 140 LYS HE3 H 1 2.89 0.02 . 1 . . . . 140 LYS HE3 . 6782 1 1739 . 1 1 140 140 LYS C C 13 177.9 0.2 . 1 . . . . 140 LYS C . 6782 1 1740 . 1 1 140 140 LYS CA C 13 56.0 0.2 . 1 . . . . 140 LYS CA . 6782 1 1741 . 1 1 140 140 LYS CB C 13 31.5 0.2 . 1 . . . . 140 LYS CB . 6782 1 1742 . 1 1 140 140 LYS CG C 13 25.1 0.2 . 1 . . . . 140 LYS CG . 6782 1 1743 . 1 1 140 140 LYS CD C 13 28.6 0.2 . 1 . . . . 140 LYS CD . 6782 1 1744 . 1 1 140 140 LYS CE C 13 42.0 0.2 . 1 . . . . 140 LYS CE . 6782 1 1745 . 1 1 140 140 LYS N N 15 120.9 0.2 . 1 . . . . 140 LYS N . 6782 1 1746 . 1 1 141 141 GLY H H 1 8.05 0.02 . 1 . . . . 141 GLY H . 6782 1 1747 . 1 1 141 141 GLY HA2 H 1 3.55 0.02 . 2 . . . . 141 GLY HA2 . 6782 1 1748 . 1 1 141 141 GLY HA3 H 1 4.51 0.02 . 2 . . . . 141 GLY HA3 . 6782 1 1749 . 1 1 141 141 GLY C C 13 173.1 0.2 . 1 . . . . 141 GLY C . 6782 1 1750 . 1 1 141 141 GLY CA C 13 44.7 0.2 . 1 . . . . 141 GLY CA . 6782 1 1751 . 1 1 141 141 GLY N N 15 106.6 0.2 . 1 . . . . 141 GLY N . 6782 1 1752 . 1 1 142 142 LYS H H 1 8.14 0.02 . 1 . . . . 142 LYS H . 6782 1 1753 . 1 1 142 142 LYS HA H 1 4.00 0.02 . 1 . . . . 142 LYS HA . 6782 1 1754 . 1 1 142 142 LYS HB2 H 1 1.36 0.02 . 1 . . . . 142 LYS HB2 . 6782 1 1755 . 1 1 142 142 LYS HB3 H 1 1.36 0.02 . 1 . . . . 142 LYS HB3 . 6782 1 1756 . 1 1 142 142 LYS HG2 H 1 1.42 0.02 . 2 . . . . 142 LYS HG2 . 6782 1 1757 . 1 1 142 142 LYS HG3 H 1 1.61 0.02 . 2 . . . . 142 LYS HG3 . 6782 1 1758 . 1 1 142 142 LYS HD2 H 1 1.44 0.02 . 2 . . . . 142 LYS HD2 . 6782 1 1759 . 1 1 142 142 LYS HD3 H 1 1.48 0.02 . 2 . . . . 142 LYS HD3 . 6782 1 1760 . 1 1 142 142 LYS HE2 H 1 3.02 0.02 . 1 . . . . 142 LYS HE2 . 6782 1 1761 . 1 1 142 142 LYS HE3 H 1 3.02 0.02 . 1 . . . . 142 LYS HE3 . 6782 1 1762 . 1 1 142 142 LYS C C 13 177.3 0.2 . 1 . . . . 142 LYS C . 6782 1 1763 . 1 1 142 142 LYS CA C 13 58.1 0.2 . 1 . . . . 142 LYS CA . 6782 1 1764 . 1 1 142 142 LYS CB C 13 33.0 0.2 . 1 . . . . 142 LYS CB . 6782 1 1765 . 1 1 142 142 LYS CG C 13 25.7 0.2 . 1 . . . . 142 LYS CG . 6782 1 1766 . 1 1 142 142 LYS CD C 13 29.3 0.2 . 1 . . . . 142 LYS CD . 6782 1 1767 . 1 1 142 142 LYS CE C 13 42.2 0.2 . 1 . . . . 142 LYS CE . 6782 1 1768 . 1 1 142 142 LYS N N 15 117.1 0.2 . 1 . . . . 142 LYS N . 6782 1 1769 . 1 1 143 143 ASN H H 1 7.92 0.02 . 1 . . . . 143 ASN H . 6782 1 1770 . 1 1 143 143 ASN HA H 1 4.15 0.02 . 1 . . . . 143 ASN HA . 6782 1 1771 . 1 1 143 143 ASN HB2 H 1 1.80 0.02 . 2 . . . . 143 ASN HB2 . 6782 1 1772 . 1 1 143 143 ASN HB3 H 1 3.07 0.02 . 2 . . . . 143 ASN HB3 . 6782 1 1773 . 1 1 143 143 ASN HD21 H 1 7.74 0.02 . 2 . . . . 143 ASN HD21 . 6782 1 1774 . 1 1 143 143 ASN HD22 H 1 6.34 0.02 . 2 . . . . 143 ASN HD22 . 6782 1 1775 . 1 1 143 143 ASN C C 13 176.1 0.2 . 1 . . . . 143 ASN C . 6782 1 1776 . 1 1 143 143 ASN CA C 13 53.0 0.2 . 1 . . . . 143 ASN CA . 6782 1 1777 . 1 1 143 143 ASN CB C 13 38.7 0.2 . 1 . . . . 143 ASN CB . 6782 1 1778 . 1 1 143 143 ASN CG C 13 177.7 0.2 . 1 . . . . 143 ASN CG . 6782 1 1779 . 1 1 143 143 ASN N N 15 114.4 0.2 . 1 . . . . 143 ASN N . 6782 1 1780 . 1 1 143 143 ASN ND2 N 15 110.0 0.2 . 1 . . . . 143 ASN ND2 . 6782 1 1781 . 1 1 144 144 ARG H H 1 8.95 0.02 . 1 . . . . 144 ARG H . 6782 1 1782 . 1 1 144 144 ARG HA H 1 3.95 0.02 . 1 . . . . 144 ARG HA . 6782 1 1783 . 1 1 144 144 ARG HB2 H 1 1.18 0.02 . 2 . . . . 144 ARG HB2 . 6782 1 1784 . 1 1 144 144 ARG HB3 H 1 1.67 0.02 . 2 . . . . 144 ARG HB3 . 6782 1 1785 . 1 1 144 144 ARG HD2 H 1 2.73 0.02 . 1 . . . . 144 ARG HD2 . 6782 1 1786 . 1 1 144 144 ARG HD3 H 1 2.73 0.02 . 1 . . . . 144 ARG HD3 . 6782 1 1787 . 1 1 144 144 ARG C C 13 179.7 0.2 . 1 . . . . 144 ARG C . 6782 1 1788 . 1 1 144 144 ARG CA C 13 56.7 0.2 . 1 . . . . 144 ARG CA . 6782 1 1789 . 1 1 144 144 ARG CB C 13 27.0 0.2 . 1 . . . . 144 ARG CB . 6782 1 1790 . 1 1 144 144 ARG N N 15 113.2 0.2 . 1 . . . . 144 ARG N . 6782 1 1791 . 1 1 145 145 LEU H H 1 10.35 0.02 . 1 . . . . 145 LEU H . 6782 1 1792 . 1 1 145 145 LEU HA H 1 4.57 0.02 . 1 . . . . 145 LEU HA . 6782 1 1793 . 1 1 145 145 LEU HB2 H 1 1.75 0.02 . 2 . . . . 145 LEU HB2 . 6782 1 1794 . 1 1 145 145 LEU HB3 H 1 2.24 0.02 . 2 . . . . 145 LEU HB3 . 6782 1 1795 . 1 1 145 145 LEU HG H 1 1.78 0.02 . 1 . . . . 145 LEU HG . 6782 1 1796 . 1 1 145 145 LEU HD11 H 1 1.07 0.02 . 1 . . . . 145 LEU HD1 . 6782 1 1797 . 1 1 145 145 LEU HD12 H 1 1.07 0.02 . 1 . . . . 145 LEU HD1 . 6782 1 1798 . 1 1 145 145 LEU HD13 H 1 1.07 0.02 . 1 . . . . 145 LEU HD1 . 6782 1 1799 . 1 1 145 145 LEU HD21 H 1 1.13 0.02 . 1 . . . . 145 LEU HD2 . 6782 1 1800 . 1 1 145 145 LEU HD22 H 1 1.13 0.02 . 1 . . . . 145 LEU HD2 . 6782 1 1801 . 1 1 145 145 LEU HD23 H 1 1.13 0.02 . 1 . . . . 145 LEU HD2 . 6782 1 1802 . 1 1 145 145 LEU C C 13 178.6 0.2 . 1 . . . . 145 LEU C . 6782 1 1803 . 1 1 145 145 LEU CA C 13 58.7 0.2 . 1 . . . . 145 LEU CA . 6782 1 1804 . 1 1 145 145 LEU CB C 13 42.3 0.2 . 1 . . . . 145 LEU CB . 6782 1 1805 . 1 1 145 145 LEU CG C 13 28.3 0.2 . 1 . . . . 145 LEU CG . 6782 1 1806 . 1 1 145 145 LEU CD1 C 13 24.7 0.2 . 1 . . . . 145 LEU CD1 . 6782 1 1807 . 1 1 145 145 LEU CD2 C 13 26.6 0.2 . 1 . . . . 145 LEU CD2 . 6782 1 1808 . 1 1 145 145 LEU N N 15 119.2 0.2 . 1 . . . . 145 LEU N . 6782 1 1809 . 1 1 146 146 GLY H H 1 6.94 0.02 . 1 . . . . 146 GLY H . 6782 1 1810 . 1 1 146 146 GLY HA2 H 1 3.54 0.02 . 2 . . . . 146 GLY HA2 . 6782 1 1811 . 1 1 146 146 GLY HA3 H 1 4.27 0.02 . 2 . . . . 146 GLY HA3 . 6782 1 1812 . 1 1 146 146 GLY C C 13 176.2 0.2 . 1 . . . . 146 GLY C . 6782 1 1813 . 1 1 146 146 GLY CA C 13 48.1 0.2 . 1 . . . . 146 GLY CA . 6782 1 1814 . 1 1 146 146 GLY N N 15 105.1 0.2 . 1 . . . . 146 GLY N . 6782 1 1815 . 1 1 147 147 TYR H H 1 8.43 0.02 . 1 . . . . 147 TYR H . 6782 1 1816 . 1 1 147 147 TYR HA H 1 4.34 0.02 . 1 . . . . 147 TYR HA . 6782 1 1817 . 1 1 147 147 TYR HB2 H 1 2.97 0.02 . 2 . . . . 147 TYR HB2 . 6782 1 1818 . 1 1 147 147 TYR HB3 H 1 3.12 0.02 . 2 . . . . 147 TYR HB3 . 6782 1 1819 . 1 1 147 147 TYR HD1 H 1 7.27 0.02 . 1 . . . . 147 TYR HD1 . 6782 1 1820 . 1 1 147 147 TYR HD2 H 1 7.27 0.02 . 1 . . . . 147 TYR HD2 . 6782 1 1821 . 1 1 147 147 TYR HE1 H 1 6.85 0.02 . 1 . . . . 147 TYR HE1 . 6782 1 1822 . 1 1 147 147 TYR HE2 H 1 6.85 0.02 . 1 . . . . 147 TYR HE2 . 6782 1 1823 . 1 1 147 147 TYR C C 13 179.4 0.2 . 1 . . . . 147 TYR C . 6782 1 1824 . 1 1 147 147 TYR CA C 13 63.0 0.2 . 1 . . . . 147 TYR CA . 6782 1 1825 . 1 1 147 147 TYR CB C 13 38.0 0.2 . 1 . . . . 147 TYR CB . 6782 1 1826 . 1 1 147 147 TYR CD1 C 13 133.8 0.2 . 1 . . . . 147 TYR CD1 . 6782 1 1827 . 1 1 147 147 TYR CD2 C 13 133.8 0.2 . 1 . . . . 147 TYR CD2 . 6782 1 1828 . 1 1 147 147 TYR CE1 C 13 117.9 0.2 . 1 . . . . 147 TYR CE1 . 6782 1 1829 . 1 1 147 147 TYR CE2 C 13 117.9 0.2 . 1 . . . . 147 TYR CE2 . 6782 1 1830 . 1 1 147 147 TYR N N 15 118.9 0.2 . 1 . . . . 147 TYR N . 6782 1 1831 . 1 1 148 148 LEU H H 1 8.69 0.02 . 1 . . . . 148 LEU H . 6782 1 1832 . 1 1 148 148 LEU HA H 1 4.16 0.02 . 1 . . . . 148 LEU HA . 6782 1 1833 . 1 1 148 148 LEU HB2 H 1 1.47 0.02 . 2 . . . . 148 LEU HB2 . 6782 1 1834 . 1 1 148 148 LEU HB3 H 1 2.07 0.02 . 2 . . . . 148 LEU HB3 . 6782 1 1835 . 1 1 148 148 LEU HG H 1 2.31 0.02 . 1 . . . . 148 LEU HG . 6782 1 1836 . 1 1 148 148 LEU HD11 H 1 1.11 0.02 . 1 . . . . 148 LEU HD1 . 6782 1 1837 . 1 1 148 148 LEU HD12 H 1 1.11 0.02 . 1 . . . . 148 LEU HD1 . 6782 1 1838 . 1 1 148 148 LEU HD13 H 1 1.11 0.02 . 1 . . . . 148 LEU HD1 . 6782 1 1839 . 1 1 148 148 LEU HD21 H 1 1.02 0.02 . 1 . . . . 148 LEU HD2 . 6782 1 1840 . 1 1 148 148 LEU HD22 H 1 1.02 0.02 . 1 . . . . 148 LEU HD2 . 6782 1 1841 . 1 1 148 148 LEU HD23 H 1 1.02 0.02 . 1 . . . . 148 LEU HD2 . 6782 1 1842 . 1 1 148 148 LEU C C 13 181.2 0.2 . 1 . . . . 148 LEU C . 6782 1 1843 . 1 1 148 148 LEU CA C 13 58.3 0.2 . 1 . . . . 148 LEU CA . 6782 1 1844 . 1 1 148 148 LEU CB C 13 41.5 0.2 . 1 . . . . 148 LEU CB . 6782 1 1845 . 1 1 148 148 LEU CG C 13 27.6 0.2 . 1 . . . . 148 LEU CG . 6782 1 1846 . 1 1 148 148 LEU CD1 C 13 26.6 0.2 . 1 . . . . 148 LEU CD1 . 6782 1 1847 . 1 1 148 148 LEU CD2 C 13 22.7 0.2 . 1 . . . . 148 LEU CD2 . 6782 1 1848 . 1 1 148 148 LEU N N 15 121.5 0.2 . 1 . . . . 148 LEU N . 6782 1 1849 . 1 1 149 149 LEU H H 1 8.59 0.02 . 1 . . . . 149 LEU H . 6782 1 1850 . 1 1 149 149 LEU HA H 1 3.79 0.02 . 1 . . . . 149 LEU HA . 6782 1 1851 . 1 1 149 149 LEU HB2 H 1 0.72 0.02 . 2 . . . . 149 LEU HB2 . 6782 1 1852 . 1 1 149 149 LEU HB3 H 1 1.93 0.02 . 2 . . . . 149 LEU HB3 . 6782 1 1853 . 1 1 149 149 LEU HG H 1 1.63 0.02 . 1 . . . . 149 LEU HG . 6782 1 1854 . 1 1 149 149 LEU HD11 H 1 0.55 0.02 . 1 . . . . 149 LEU HD1 . 6782 1 1855 . 1 1 149 149 LEU HD12 H 1 0.55 0.02 . 1 . . . . 149 LEU HD1 . 6782 1 1856 . 1 1 149 149 LEU HD13 H 1 0.55 0.02 . 1 . . . . 149 LEU HD1 . 6782 1 1857 . 1 1 149 149 LEU HD21 H 1 0.44 0.02 . 1 . . . . 149 LEU HD2 . 6782 1 1858 . 1 1 149 149 LEU HD22 H 1 0.44 0.02 . 1 . . . . 149 LEU HD2 . 6782 1 1859 . 1 1 149 149 LEU HD23 H 1 0.44 0.02 . 1 . . . . 149 LEU HD2 . 6782 1 1860 . 1 1 149 149 LEU C C 13 178.8 0.2 . 1 . . . . 149 LEU C . 6782 1 1861 . 1 1 149 149 LEU CA C 13 58.2 0.2 . 1 . . . . 149 LEU CA . 6782 1 1862 . 1 1 149 149 LEU CB C 13 42.7 0.2 . 1 . . . . 149 LEU CB . 6782 1 1863 . 1 1 149 149 LEU CG C 13 27.0 0.2 . 1 . . . . 149 LEU CG . 6782 1 1864 . 1 1 149 149 LEU CD1 C 13 27.2 0.2 . 1 . . . . 149 LEU CD1 . 6782 1 1865 . 1 1 149 149 LEU CD2 C 13 25.0 0.2 . 1 . . . . 149 LEU CD2 . 6782 1 1866 . 1 1 149 149 LEU N N 15 122.6 0.2 . 1 . . . . 149 LEU N . 6782 1 1867 . 1 1 150 150 MET H H 1 8.23 0.02 . 1 . . . . 150 MET H . 6782 1 1868 . 1 1 150 150 MET HA H 1 3.56 0.02 . 1 . . . . 150 MET HA . 6782 1 1869 . 1 1 150 150 MET HB2 H 1 2.24 0.02 . 2 . . . . 150 MET HB2 . 6782 1 1870 . 1 1 150 150 MET HB3 H 1 2.31 0.02 . 2 . . . . 150 MET HB3 . 6782 1 1871 . 1 1 150 150 MET HG2 H 1 2.12 0.02 . 2 . . . . 150 MET HG2 . 6782 1 1872 . 1 1 150 150 MET HG3 H 1 2.89 0.02 . 2 . . . . 150 MET HG3 . 6782 1 1873 . 1 1 150 150 MET HE1 H 1 2.10 0.02 . 1 . . . . 150 MET HE . 6782 1 1874 . 1 1 150 150 MET HE2 H 1 2.10 0.02 . 1 . . . . 150 MET HE . 6782 1 1875 . 1 1 150 150 MET HE3 H 1 2.10 0.02 . 1 . . . . 150 MET HE . 6782 1 1876 . 1 1 150 150 MET C C 13 177.4 0.2 . 1 . . . . 150 MET C . 6782 1 1877 . 1 1 150 150 MET CA C 13 60.3 0.2 . 1 . . . . 150 MET CA . 6782 1 1878 . 1 1 150 150 MET CB C 13 33.3 0.2 . 1 . . . . 150 MET CB . 6782 1 1879 . 1 1 150 150 MET CG C 13 31.9 0.2 . 1 . . . . 150 MET CG . 6782 1 1880 . 1 1 150 150 MET CE C 13 15.8 0.2 . 1 . . . . 150 MET CE . 6782 1 1881 . 1 1 150 150 MET N N 15 119.0 0.2 . 1 . . . . 150 MET N . 6782 1 1882 . 1 1 151 151 GLU H H 1 8.26 0.02 . 1 . . . . 151 GLU H . 6782 1 1883 . 1 1 151 151 GLU HA H 1 3.98 0.02 . 1 . . . . 151 GLU HA . 6782 1 1884 . 1 1 151 151 GLU HB2 H 1 2.11 0.02 . 1 . . . . 151 GLU HB2 . 6782 1 1885 . 1 1 151 151 GLU HB3 H 1 2.11 0.02 . 1 . . . . 151 GLU HB3 . 6782 1 1886 . 1 1 151 151 GLU HG2 H 1 2.03 0.02 . 2 . . . . 151 GLU HG2 . 6782 1 1887 . 1 1 151 151 GLU HG3 H 1 2.37 0.02 . 2 . . . . 151 GLU HG3 . 6782 1 1888 . 1 1 151 151 GLU C C 13 177.4 0.2 . 1 . . . . 151 GLU C . 6782 1 1889 . 1 1 151 151 GLU CA C 13 59.4 0.2 . 1 . . . . 151 GLU CA . 6782 1 1890 . 1 1 151 151 GLU CB C 13 30.6 0.2 . 1 . . . . 151 GLU CB . 6782 1 1891 . 1 1 151 151 GLU CG C 13 37.0 0.2 . 1 . . . . 151 GLU CG . 6782 1 1892 . 1 1 151 151 GLU N N 15 121.4 0.2 . 1 . . . . 151 GLU N . 6782 1 1893 . 1 1 152 152 LEU H H 1 7.83 0.02 . 1 . . . . 152 LEU H . 6782 1 1894 . 1 1 152 152 LEU HA H 1 4.09 0.02 . 1 . . . . 152 LEU HA . 6782 1 1895 . 1 1 152 152 LEU HB2 H 1 1.61 0.02 . 2 . . . . 152 LEU HB2 . 6782 1 1896 . 1 1 152 152 LEU HB3 H 1 1.68 0.02 . 2 . . . . 152 LEU HB3 . 6782 1 1897 . 1 1 152 152 LEU HG H 1 1.19 0.02 . 1 . . . . 152 LEU HG . 6782 1 1898 . 1 1 152 152 LEU HD11 H 1 0.96 0.02 . 1 . . . . 152 LEU HD1 . 6782 1 1899 . 1 1 152 152 LEU HD12 H 1 0.96 0.02 . 1 . . . . 152 LEU HD1 . 6782 1 1900 . 1 1 152 152 LEU HD13 H 1 0.96 0.02 . 1 . . . . 152 LEU HD1 . 6782 1 1901 . 1 1 152 152 LEU HD21 H 1 0.68 0.02 . 1 . . . . 152 LEU HD2 . 6782 1 1902 . 1 1 152 152 LEU HD22 H 1 0.68 0.02 . 1 . . . . 152 LEU HD2 . 6782 1 1903 . 1 1 152 152 LEU HD23 H 1 0.68 0.02 . 1 . . . . 152 LEU HD2 . 6782 1 1904 . 1 1 152 152 LEU C C 13 177.4 0.2 . 1 . . . . 152 LEU C . 6782 1 1905 . 1 1 152 152 LEU CA C 13 57.2 0.2 . 1 . . . . 152 LEU CA . 6782 1 1906 . 1 1 152 152 LEU CB C 13 41.1 0.2 . 1 . . . . 152 LEU CB . 6782 1 1907 . 1 1 152 152 LEU CG C 13 27.0 0.2 . 1 . . . . 152 LEU CG . 6782 1 1908 . 1 1 152 152 LEU CD1 C 13 22.1 0.2 . 1 . . . . 152 LEU CD1 . 6782 1 1909 . 1 1 152 152 LEU CD2 C 13 27.3 0.2 . 1 . . . . 152 LEU CD2 . 6782 1 1910 . 1 1 152 152 LEU N N 15 120.9 0.2 . 1 . . . . 152 LEU N . 6782 1 1911 . 1 1 153 153 ARG H H 1 8.43 0.02 . 1 . . . . 153 ARG H . 6782 1 1912 . 1 1 153 153 ARG HA H 1 3.40 0.02 . 1 . . . . 153 ARG HA . 6782 1 1913 . 1 1 153 153 ARG HB2 H 1 1.33 0.02 . 2 . . . . 153 ARG HB2 . 6782 1 1914 . 1 1 153 153 ARG HB3 H 1 2.34 0.02 . 2 . . . . 153 ARG HB3 . 6782 1 1915 . 1 1 153 153 ARG HG2 H 1 1.66 0.02 . 1 . . . . 153 ARG HG2 . 6782 1 1916 . 1 1 153 153 ARG HG3 H 1 1.66 0.02 . 1 . . . . 153 ARG HG3 . 6782 1 1917 . 1 1 153 153 ARG HD2 H 1 2.45 0.02 . 2 . . . . 153 ARG HD2 . 6782 1 1918 . 1 1 153 153 ARG HD3 H 1 3.27 0.02 . 2 . . . . 153 ARG HD3 . 6782 1 1919 . 1 1 153 153 ARG HE H 1 8.37 0.02 . 1 . . . . 153 ARG HE . 6782 1 1920 . 1 1 153 153 ARG C C 13 176.8 0.2 . 1 . . . . 153 ARG C . 6782 1 1921 . 1 1 153 153 ARG CA C 13 60.0 0.2 . 1 . . . . 153 ARG CA . 6782 1 1922 . 1 1 153 153 ARG CB C 13 31.4 0.2 . 1 . . . . 153 ARG CB . 6782 1 1923 . 1 1 153 153 ARG CG C 13 25.6 0.2 . 1 . . . . 153 ARG CG . 6782 1 1924 . 1 1 153 153 ARG CD C 13 45.3 0.2 . 1 . . . . 153 ARG CD . 6782 1 1925 . 1 1 153 153 ARG CZ C 13 160.1 0.2 . 1 . . . . 153 ARG CZ . 6782 1 1926 . 1 1 153 153 ARG N N 15 120.1 0.2 . 1 . . . . 153 ARG N . 6782 1 1927 . 1 1 153 153 ARG NE N 15 84.4 0.2 . 1 . . . . 153 ARG NE . 6782 1 1928 . 1 1 154 154 GLU H H 1 7.69 0.02 . 1 . . . . 154 GLU H . 6782 1 1929 . 1 1 154 154 GLU HA H 1 4.06 0.02 . 1 . . . . 154 GLU HA . 6782 1 1930 . 1 1 154 154 GLU HB2 H 1 2.13 0.02 . 1 . . . . 154 GLU HB2 . 6782 1 1931 . 1 1 154 154 GLU HB3 H 1 2.13 0.02 . 1 . . . . 154 GLU HB3 . 6782 1 1932 . 1 1 154 154 GLU HG2 H 1 2.35 0.02 . 1 . . . . 154 GLU HG2 . 6782 1 1933 . 1 1 154 154 GLU HG3 H 1 2.35 0.02 . 1 . . . . 154 GLU HG3 . 6782 1 1934 . 1 1 154 154 GLU C C 13 179.3 0.2 . 1 . . . . 154 GLU C . 6782 1 1935 . 1 1 154 154 GLU CA C 13 59.0 0.2 . 1 . . . . 154 GLU CA . 6782 1 1936 . 1 1 154 154 GLU CB C 13 29.5 0.2 . 1 . . . . 154 GLU CB . 6782 1 1937 . 1 1 154 154 GLU CG C 13 36.6 0.2 . 1 . . . . 154 GLU CG . 6782 1 1938 . 1 1 154 154 GLU N N 15 116.9 0.2 . 1 . . . . 154 GLU N . 6782 1 1939 . 1 1 155 155 GLN H H 1 7.68 0.02 . 1 . . . . 155 GLN H . 6782 1 1940 . 1 1 155 155 GLN HA H 1 4.05 0.02 . 1 . . . . 155 GLN HA . 6782 1 1941 . 1 1 155 155 GLN HB2 H 1 2.06 0.02 . 2 . . . . 155 GLN HB2 . 6782 1 1942 . 1 1 155 155 GLN HB3 H 1 2.26 0.02 . 2 . . . . 155 GLN HB3 . 6782 1 1943 . 1 1 155 155 GLN HG2 H 1 2.42 0.02 . 2 . . . . 155 GLN HG2 . 6782 1 1944 . 1 1 155 155 GLN HG3 H 1 2.61 0.02 . 2 . . . . 155 GLN HG3 . 6782 1 1945 . 1 1 155 155 GLN HE21 H 1 7.57 0.02 . 1 . . . . 155 GLN HE21 . 6782 1 1946 . 1 1 155 155 GLN HE22 H 1 6.75 0.02 . 1 . . . . 155 GLN HE22 . 6782 1 1947 . 1 1 155 155 GLN C C 13 179.2 0.2 . 1 . . . . 155 GLN C . 6782 1 1948 . 1 1 155 155 GLN CA C 13 58.7 0.2 . 1 . . . . 155 GLN CA . 6782 1 1949 . 1 1 155 155 GLN CB C 13 28.2 0.2 . 1 . . . . 155 GLN CB . 6782 1 1950 . 1 1 155 155 GLN CG C 13 33.5 0.2 . 1 . . . . 155 GLN CG . 6782 1 1951 . 1 1 155 155 GLN CD C 13 179.7 0.2 . 1 . . . . 155 GLN CD . 6782 1 1952 . 1 1 155 155 GLN N N 15 118.2 0.2 . 1 . . . . 155 GLN N . 6782 1 1953 . 1 1 155 155 GLN NE2 N 15 110.8 0.2 . 1 . . . . 155 GLN NE2 . 6782 1 1954 . 1 1 156 156 LEU H H 1 9.00 0.02 . 1 . . . . 156 LEU H . 6782 1 1955 . 1 1 156 156 LEU HA H 1 4.07 0.02 . 1 . . . . 156 LEU HA . 6782 1 1956 . 1 1 156 156 LEU HB2 H 1 1.34 0.02 . 2 . . . . 156 LEU HB2 . 6782 1 1957 . 1 1 156 156 LEU HB3 H 1 1.89 0.02 . 2 . . . . 156 LEU HB3 . 6782 1 1958 . 1 1 156 156 LEU HG H 1 1.86 0.02 . 1 . . . . 156 LEU HG . 6782 1 1959 . 1 1 156 156 LEU HD11 H 1 0.66 0.02 . 1 . . . . 156 LEU HD1 . 6782 1 1960 . 1 1 156 156 LEU HD12 H 1 0.66 0.02 . 1 . . . . 156 LEU HD1 . 6782 1 1961 . 1 1 156 156 LEU HD13 H 1 0.66 0.02 . 1 . . . . 156 LEU HD1 . 6782 1 1962 . 1 1 156 156 LEU HD21 H 1 0.83 0.02 . 1 . . . . 156 LEU HD2 . 6782 1 1963 . 1 1 156 156 LEU HD22 H 1 0.83 0.02 . 1 . . . . 156 LEU HD2 . 6782 1 1964 . 1 1 156 156 LEU HD23 H 1 0.83 0.02 . 1 . . . . 156 LEU HD2 . 6782 1 1965 . 1 1 156 156 LEU C C 13 179.4 0.2 . 1 . . . . 156 LEU C . 6782 1 1966 . 1 1 156 156 LEU CA C 13 57.2 0.2 . 1 . . . . 156 LEU CA . 6782 1 1967 . 1 1 156 156 LEU CB C 13 41.7 0.2 . 1 . . . . 156 LEU CB . 6782 1 1968 . 1 1 156 156 LEU CG C 13 26.3 0.2 . 1 . . . . 156 LEU CG . 6782 1 1969 . 1 1 156 156 LEU CD1 C 13 26.6 0.2 . 1 . . . . 156 LEU CD1 . 6782 1 1970 . 1 1 156 156 LEU CD2 C 13 21.9 0.2 . 1 . . . . 156 LEU CD2 . 6782 1 1971 . 1 1 156 156 LEU N N 15 118.5 0.2 . 1 . . . . 156 LEU N . 6782 1 1972 . 1 1 157 157 ALA H H 1 8.01 0.02 . 1 . . . . 157 ALA H . 6782 1 1973 . 1 1 157 157 ALA HA H 1 4.06 0.02 . 1 . . . . 157 ALA HA . 6782 1 1974 . 1 1 157 157 ALA HB1 H 1 1.51 0.02 . 1 . . . . 157 ALA HB . 6782 1 1975 . 1 1 157 157 ALA HB2 H 1 1.51 0.02 . 1 . . . . 157 ALA HB . 6782 1 1976 . 1 1 157 157 ALA HB3 H 1 1.51 0.02 . 1 . . . . 157 ALA HB . 6782 1 1977 . 1 1 157 157 ALA C C 13 179.8 0.2 . 1 . . . . 157 ALA C . 6782 1 1978 . 1 1 157 157 ALA CA C 13 54.9 0.2 . 1 . . . . 157 ALA CA . 6782 1 1979 . 1 1 157 157 ALA CB C 13 18.5 0.2 . 1 . . . . 157 ALA CB . 6782 1 1980 . 1 1 157 157 ALA N N 15 122.2 0.2 . 1 . . . . 157 ALA N . 6782 1 1981 . 1 1 158 158 ILE H H 1 7.53 0.02 . 1 . . . . 158 ILE H . 6782 1 1982 . 1 1 158 158 ILE HA H 1 3.98 0.02 . 1 . . . . 158 ILE HA . 6782 1 1983 . 1 1 158 158 ILE HB H 1 2.04 0.02 . 1 . . . . 158 ILE HB . 6782 1 1984 . 1 1 158 158 ILE HG12 H 1 1.28 0.02 . 2 . . . . 158 ILE HG12 . 6782 1 1985 . 1 1 158 158 ILE HG13 H 1 1.67 0.02 . 2 . . . . 158 ILE HG13 . 6782 1 1986 . 1 1 158 158 ILE HG21 H 1 0.95 0.02 . 1 . . . . 158 ILE HG2 . 6782 1 1987 . 1 1 158 158 ILE HG22 H 1 0.95 0.02 . 1 . . . . 158 ILE HG2 . 6782 1 1988 . 1 1 158 158 ILE HG23 H 1 0.95 0.02 . 1 . . . . 158 ILE HG2 . 6782 1 1989 . 1 1 158 158 ILE HD11 H 1 0.89 0.02 . 1 . . . . 158 ILE HD1 . 6782 1 1990 . 1 1 158 158 ILE HD12 H 1 0.89 0.02 . 1 . . . . 158 ILE HD1 . 6782 1 1991 . 1 1 158 158 ILE HD13 H 1 0.89 0.02 . 1 . . . . 158 ILE HD1 . 6782 1 1992 . 1 1 158 158 ILE C C 13 178.0 0.2 . 1 . . . . 158 ILE C . 6782 1 1993 . 1 1 158 158 ILE CA C 13 63.4 0.2 . 1 . . . . 158 ILE CA . 6782 1 1994 . 1 1 158 158 ILE CB C 13 38.4 0.2 . 1 . . . . 158 ILE CB . 6782 1 1995 . 1 1 158 158 ILE CG1 C 13 28.5 0.2 . 1 . . . . 158 ILE CG1 . 6782 1 1996 . 1 1 158 158 ILE CG2 C 13 17.5 0.2 . 1 . . . . 158 ILE CG2 . 6782 1 1997 . 1 1 158 158 ILE CD1 C 13 13.3 0.2 . 1 . . . . 158 ILE CD1 . 6782 1 1998 . 1 1 158 158 ILE N N 15 117.7 0.2 . 1 . . . . 158 ILE N . 6782 1 1999 . 1 1 159 159 GLU H H 1 8.02 0.02 . 1 . . . . 159 GLU H . 6782 1 2000 . 1 1 159 159 GLU HA H 1 4.06 0.02 . 1 . . . . 159 GLU HA . 6782 1 2001 . 1 1 159 159 GLU HB2 H 1 2.04 0.02 . 1 . . . . 159 GLU HB2 . 6782 1 2002 . 1 1 159 159 GLU HB3 H 1 2.04 0.02 . 1 . . . . 159 GLU HB3 . 6782 1 2003 . 1 1 159 159 GLU HG2 H 1 2.27 0.02 . 2 . . . . 159 GLU HG2 . 6782 1 2004 . 1 1 159 159 GLU HG3 H 1 2.51 0.02 . 2 . . . . 159 GLU HG3 . 6782 1 2005 . 1 1 159 159 GLU C C 13 177.9 0.2 . 1 . . . . 159 GLU C . 6782 1 2006 . 1 1 159 159 GLU CA C 13 58.4 0.2 . 1 . . . . 159 GLU CA . 6782 1 2007 . 1 1 159 159 GLU CB C 13 29.9 0.2 . 1 . . . . 159 GLU CB . 6782 1 2008 . 1 1 159 159 GLU CG C 13 36.7 0.2 . 1 . . . . 159 GLU CG . 6782 1 2009 . 1 1 159 159 GLU N N 15 121.4 0.2 . 1 . . . . 159 GLU N . 6782 1 2010 . 1 1 160 160 LYS H H 1 7.88 0.02 . 1 . . . . 160 LYS H . 6782 1 2011 . 1 1 160 160 LYS HA H 1 4.18 0.02 . 1 . . . . 160 LYS HA . 6782 1 2012 . 1 1 160 160 LYS HB2 H 1 1.89 0.02 . 1 . . . . 160 LYS HB2 . 6782 1 2013 . 1 1 160 160 LYS HB3 H 1 1.89 0.02 . 1 . . . . 160 LYS HB3 . 6782 1 2014 . 1 1 160 160 LYS HG2 H 1 1.42 0.02 . 2 . . . . 160 LYS HG2 . 6782 1 2015 . 1 1 160 160 LYS HG3 H 1 1.48 0.02 . 2 . . . . 160 LYS HG3 . 6782 1 2016 . 1 1 160 160 LYS HD2 H 1 1.68 0.02 . 1 . . . . 160 LYS HD2 . 6782 1 2017 . 1 1 160 160 LYS HD3 H 1 1.68 0.02 . 1 . . . . 160 LYS HD3 . 6782 1 2018 . 1 1 160 160 LYS HE2 H 1 3.01 0.02 . 1 . . . . 160 LYS HE2 . 6782 1 2019 . 1 1 160 160 LYS HE3 H 1 3.01 0.02 . 1 . . . . 160 LYS HE3 . 6782 1 2020 . 1 1 160 160 LYS C C 13 177.4 0.2 . 1 . . . . 160 LYS C . 6782 1 2021 . 1 1 160 160 LYS CA C 13 57.5 0.2 . 1 . . . . 160 LYS CA . 6782 1 2022 . 1 1 160 160 LYS CB C 13 32.6 0.2 . 1 . . . . 160 LYS CB . 6782 1 2023 . 1 1 160 160 LYS CG C 13 24.8 0.2 . 1 . . . . 160 LYS CG . 6782 1 2024 . 1 1 160 160 LYS CD C 13 29.4 0.2 . 1 . . . . 160 LYS CD . 6782 1 2025 . 1 1 160 160 LYS CE C 13 42.1 0.2 . 1 . . . . 160 LYS CE . 6782 1 2026 . 1 1 160 160 LYS N N 15 119.3 0.2 . 1 . . . . 160 LYS N . 6782 1 2027 . 1 1 161 161 LEU H H 1 7.81 0.02 . 1 . . . . 161 LEU H . 6782 1 2028 . 1 1 161 161 LEU HA H 1 4.23 0.02 . 1 . . . . 161 LEU HA . 6782 1 2029 . 1 1 161 161 LEU HB2 H 1 1.59 0.02 . 2 . . . . 161 LEU HB2 . 6782 1 2030 . 1 1 161 161 LEU HB3 H 1 1.77 0.02 . 2 . . . . 161 LEU HB3 . 6782 1 2031 . 1 1 161 161 LEU HG H 1 1.70 0.02 . 1 . . . . 161 LEU HG . 6782 1 2032 . 1 1 161 161 LEU HD11 H 1 0.87 0.02 . 1 . . . . 161 LEU HD1 . 6782 1 2033 . 1 1 161 161 LEU HD12 H 1 0.87 0.02 . 1 . . . . 161 LEU HD1 . 6782 1 2034 . 1 1 161 161 LEU HD13 H 1 0.87 0.02 . 1 . . . . 161 LEU HD1 . 6782 1 2035 . 1 1 161 161 LEU HD21 H 1 0.93 0.02 . 1 . . . . 161 LEU HD2 . 6782 1 2036 . 1 1 161 161 LEU HD22 H 1 0.93 0.02 . 1 . . . . 161 LEU HD2 . 6782 1 2037 . 1 1 161 161 LEU HD23 H 1 0.93 0.02 . 1 . . . . 161 LEU HD2 . 6782 1 2038 . 1 1 161 161 LEU C C 13 178.0 0.2 . 1 . . . . 161 LEU C . 6782 1 2039 . 1 1 161 161 LEU CA C 13 56.0 0.2 . 1 . . . . 161 LEU CA . 6782 1 2040 . 1 1 161 161 LEU CB C 13 42.2 0.2 . 1 . . . . 161 LEU CB . 6782 1 2041 . 1 1 161 161 LEU CG C 13 26.9 0.2 . 1 . . . . 161 LEU CG . 6782 1 2042 . 1 1 161 161 LEU CD1 C 13 23.4 0.2 . 1 . . . . 161 LEU CD1 . 6782 1 2043 . 1 1 161 161 LEU CD2 C 13 25.0 0.2 . 1 . . . . 161 LEU CD2 . 6782 1 2044 . 1 1 161 161 LEU N N 15 120.9 0.2 . 1 . . . . 161 LEU N . 6782 1 2045 . 1 1 162 162 GLU H H 1 8.19 0.02 . 1 . . . . 162 GLU H . 6782 1 2046 . 1 1 162 162 GLU HA H 1 4.17 0.02 . 1 . . . . 162 GLU HA . 6782 1 2047 . 1 1 162 162 GLU HB2 H 1 1.95 0.02 . 1 . . . . 162 GLU HB2 . 6782 1 2048 . 1 1 162 162 GLU HB3 H 1 1.95 0.02 . 1 . . . . 162 GLU HB3 . 6782 1 2049 . 1 1 162 162 GLU HG2 H 1 2.17 0.02 . 2 . . . . 162 GLU HG2 . 6782 1 2050 . 1 1 162 162 GLU HG3 H 1 2.30 0.02 . 2 . . . . 162 GLU HG3 . 6782 1 2051 . 1 1 162 162 GLU C C 13 176.8 0.2 . 1 . . . . 162 GLU C . 6782 1 2052 . 1 1 162 162 GLU CA C 13 57.1 0.2 . 1 . . . . 162 GLU CA . 6782 1 2053 . 1 1 162 162 GLU CB C 13 30.1 0.2 . 1 . . . . 162 GLU CB . 6782 1 2054 . 1 1 162 162 GLU CG C 13 36.2 0.2 . 1 . . . . 162 GLU CG . 6782 1 2055 . 1 1 162 162 GLU N N 15 119.7 0.2 . 1 . . . . 162 GLU N . 6782 1 2056 . 1 1 163 163 HIS H H 1 8.16 0.02 . 1 . . . . 163 HIS H . 6782 1 2057 . 1 1 163 163 HIS HA H 1 4.54 0.02 . 1 . . . . 163 HIS HA . 6782 1 2058 . 1 1 163 163 HIS HB2 H 1 3.11 0.02 . 1 . . . . 163 HIS HB2 . 6782 1 2059 . 1 1 163 163 HIS HB3 H 1 3.11 0.02 . 1 . . . . 163 HIS HB3 . 6782 1 2060 . 1 1 163 163 HIS HD2 H 1 7.02 0.02 . 1 . . . . 163 HIS HD2 . 6782 1 2061 . 1 1 163 163 HIS C C 13 173.9 0.2 . 1 . . . . 163 HIS C . 6782 1 2062 . 1 1 163 163 HIS CA C 13 56.1 0.2 . 1 . . . . 163 HIS CA . 6782 1 2063 . 1 1 163 163 HIS CB C 13 30.2 0.2 . 1 . . . . 163 HIS CB . 6782 1 2064 . 1 1 163 163 HIS CD2 C 13 119.5 0.2 . 1 . . . . 163 HIS CD2 . 6782 1 2065 . 1 1 163 163 HIS N N 15 118.7 0.2 . 1 . . . . 163 HIS N . 6782 1 2066 . 1 1 164 164 HIS H H 1 8.12 0.02 . 1 . . . . 164 HIS H . 6782 1 2067 . 1 1 164 164 HIS HA H 1 4.43 0.02 . 1 . . . . 164 HIS HA . 6782 1 2068 . 1 1 164 164 HIS HB2 H 1 3.09 0.02 . 1 . . . . 164 HIS HB2 . 6782 1 2069 . 1 1 164 164 HIS HB3 H 1 3.09 0.02 . 1 . . . . 164 HIS HB3 . 6782 1 2070 . 1 1 164 164 HIS HD2 H 1 7.04 0.02 . 1 . . . . 164 HIS HD2 . 6782 1 2071 . 1 1 164 164 HIS CA C 13 57.3 0.2 . 1 . . . . 164 HIS CA . 6782 1 2072 . 1 1 164 164 HIS CB C 13 30.3 0.2 . 1 . . . . 164 HIS CB . 6782 1 2073 . 1 1 164 164 HIS CD2 C 13 120.2 0.2 . 1 . . . . 164 HIS CD2 . 6782 1 2074 . 1 1 164 164 HIS N N 15 125.3 0.2 . 1 . . . . 164 HIS N . 6782 1 stop_ save_ ######################## # Coupling constants # ######################## save_J_coupling_list_1 _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode J_coupling_list_1 _Coupling_constant_list.Entry_ID 6782 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $conditions_1 _Coupling_constant_list.Spectrometer_frequency_1H 600 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID 24 HNHA 2 $sample_2 isotropic 6782 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHNHA . 1 1 15 15 THR H H 1 . . 1 1 15 15 THR HA H 1 . 6.8 . . 1.5 . . . . . . . . . . . 6782 1 2 3JHNHA . 1 1 16 16 ILE H H 1 . . 1 1 16 16 ILE HA H 1 . 8.2 . . 1.5 . . . . . . . . . . . 6782 1 3 3JHNHA . 1 1 17 17 ILE H H 1 . . 1 1 17 17 ILE HA H 1 . 9.0 . . 1.5 . . . . . . . . . . . 6782 1 4 3JHNHA . 1 1 37 37 ILE H H 1 . . 1 1 37 37 ILE HA H 1 . 9.4 . . 1.5 . . . . . . . . . . . 6782 1 5 3JHNHA . 1 1 38 38 LYS H H 1 . . 1 1 38 38 LYS HA H 1 . 8.0 . . 1.5 . . . . . . . . . . . 6782 1 6 3JHNHA . 1 1 39 39 VAL H H 1 . . 1 1 39 39 VAL HA H 1 . 8.0 . . 1.5 . . . . . . . . . . . 6782 1 7 3JHNHA . 1 1 40 40 ASP H H 1 . . 1 1 40 40 ASP HA H 1 . 4.8 . . 1.5 . . . . . . . . . . . 6782 1 8 3JHNHA . 1 1 47 47 SER H H 1 . . 1 1 47 47 SER HA H 1 . 1.7 . . 1.5 . . . . . . . . . . . 6782 1 9 3JHNHA . 1 1 48 48 GLU H H 1 . . 1 1 48 48 GLU HA H 1 . 4.2 . . 1.5 . . . . . . . . . . . 6782 1 10 3JHNHA . 1 1 49 49 HIS H H 1 . . 1 1 49 49 HIS HA H 1 . 5.2 . . 1.5 . . . . . . . . . . . 6782 1 11 3JHNHA . 1 1 52 52 GLN H H 1 . . 1 1 52 52 GLN HA H 1 . 4.7 . . 1.5 . . . . . . . . . . . 6782 1 12 3JHNHA . 1 1 53 53 ALA H H 1 . . 1 1 53 53 ALA HA H 1 . 4.9 . . 1.5 . . . . . . . . . . . 6782 1 13 3JHNHA . 1 1 54 54 GLN H H 1 . . 1 1 54 54 GLN HA H 1 . 4.8 . . 1.5 . . . . . . . . . . . 6782 1 14 3JHNHA . 1 1 55 55 LYS H H 1 . . 1 1 55 55 LYS HA H 1 . 4.8 . . 1.5 . . . . . . . . . . . 6782 1 15 3JHNHA . 1 1 59 59 GLU H H 1 . . 1 1 59 59 GLU HA H 1 . 2.6 . . 1.5 . . . . . . . . . . . 6782 1 16 3JHNHA . 1 1 60 60 LYS H H 1 . . 1 1 60 60 LYS HA H 1 . 5.0 . . 1.5 . . . . . . . . . . . 6782 1 17 3JHNHA . 1 1 61 61 TYR H H 1 . . 1 1 61 61 TYR HA H 1 . 6.2 . . 1.5 . . . . . . . . . . . 6782 1 18 3JHNHA . 1 1 73 73 VAL H H 1 . . 1 1 73 73 VAL HA H 1 . 6.2 . . 1.5 . . . . . . . . . . . 6782 1 19 3JHNHA . 1 1 74 74 ALA H H 1 . . 1 1 74 74 ALA HA H 1 . 2.6 . . 1.5 . . . . . . . . . . . 6782 1 20 3JHNHA . 1 1 75 75 ALA H H 1 . . 1 1 75 75 ALA HA H 1 . 3.8 . . 1.5 . . . . . . . . . . . 6782 1 21 3JHNHA . 1 1 77 77 MET H H 1 . . 1 1 77 77 MET HA H 1 . 4.1 . . 1.5 . . . . . . . . . . . 6782 1 22 3JHNHA . 1 1 93 93 LYS H H 1 . . 1 1 93 93 LYS HA H 1 . 1.9 . . 1.5 . . . . . . . . . . . 6782 1 23 3JHNHA . 1 1 94 94 GLU H H 1 . . 1 1 94 94 GLU HA H 1 . 4.5 . . 1.5 . . . . . . . . . . . 6782 1 24 3JHNHA . 1 1 98 98 ARG H H 1 . . 1 1 98 98 ARG HA H 1 . 2.8 . . 1.5 . . . . . . . . . . . 6782 1 25 3JHNHA . 1 1 101 101 LEU H H 1 . . 1 1 101 101 LEU HA H 1 . 3.9 . . 1.5 . . . . . . . . . . . 6782 1 26 3JHNHA . 1 1 105 105 PHE H H 1 . . 1 1 105 105 PHE HA H 1 . 7.0 . . 1.5 . . . . . . . . . . . 6782 1 27 3JHNHA . 1 1 106 106 GLU H H 1 . . 1 1 106 106 GLU HA H 1 . 6.3 . . 1.5 . . . . . . . . . . . 6782 1 28 3JHNHA . 1 1 107 107 GLN H H 1 . . 1 1 107 107 GLN HA H 1 . 6.5 . . 1.5 . . . . . . . . . . . 6782 1 29 3JHNHA . 1 1 108 108 HIS H H 1 . . 1 1 108 108 HIS HA H 1 . 6.5 . . 1.5 . . . . . . . . . . . 6782 1 30 3JHNHA . 1 1 109 109 ALA H H 1 . . 1 1 109 109 ALA HA H 1 . 9.0 . . 1.5 . . . . . . . . . . . 6782 1 31 3JHNHA . 1 1 110 110 GLU H H 1 . . 1 1 110 110 GLU HA H 1 . 4.4 . . 1.5 . . . . . . . . . . . 6782 1 32 3JHNHA . 1 1 111 111 LEU H H 1 . . 1 1 111 111 LEU HA H 1 . 7.0 . . 1.5 . . . . . . . . . . . 6782 1 33 3JHNHA . 1 1 114 114 LEU H H 1 . . 1 1 114 114 LEU HA H 1 . 4.6 . . 1.5 . . . . . . . . . . . 6782 1 34 3JHNHA . 1 1 115 115 LEU H H 1 . . 1 1 115 115 LEU HA H 1 . 3.3 . . 1.5 . . . . . . . . . . . 6782 1 35 3JHNHA . 1 1 116 116 LEU H H 1 . . 1 1 116 116 LEU HA H 1 . 4.2 . . 1.5 . . . . . . . . . . . 6782 1 36 3JHNHA . 1 1 117 117 ALA H H 1 . . 1 1 117 117 ALA HA H 1 . 5.1 . . 1.5 . . . . . . . . . . . 6782 1 37 3JHNHA . 1 1 144 144 ARG H H 1 . . 1 1 144 144 ARG HA H 1 . 2.8 . . 1.5 . . . . . . . . . . . 6782 1 38 3JHNHA . 1 1 145 145 LEU H H 1 . . 1 1 145 145 LEU HA H 1 . 5.6 . . 1.5 . . . . . . . . . . . 6782 1 39 3JHNHA . 1 1 148 148 LEU H H 1 . . 1 1 148 148 LEU HA H 1 . 4.2 . . 1.5 . . . . . . . . . . . 6782 1 40 3JHNHA . 1 1 149 149 LEU H H 1 . . 1 1 149 149 LEU HA H 1 . 4.7 . . 1.5 . . . . . . . . . . . 6782 1 41 3JHNHA . 1 1 155 155 GLN H H 1 . . 1 1 155 155 GLN HA H 1 . 6.0 . . 1.5 . . . . . . . . . . . 6782 1 42 3JHNHA . 1 1 156 156 LEU H H 1 . . 1 1 156 156 LEU HA H 1 . 4.6 . . 1.5 . . . . . . . . . . . 6782 1 43 3JHNHA . 1 1 158 158 ILE H H 1 . . 1 1 158 158 ILE HA H 1 . 8.1 . . 1.5 . . . . . . . . . . . 6782 1 44 3JHNHA . 1 1 159 159 GLU H H 1 . . 1 1 159 159 GLU HA H 1 . 4.6 . . 1.5 . . . . . . . . . . . 6782 1 stop_ save_