data_18180 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18180 _Entry.Title ; Solution NMR Structure of the uncharacterized protein from gene locus rrnAC0354 of Haloarcula marismortui. Northeast Structural Genomics Consortium Target HmR11. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-01-05 _Entry.Accession_date 2012-01-05 _Entry.Last_release_date 2012-01-12 _Entry.Original_release_date 2012-01-12 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Paolo Rossi . . . 18180 2 Gaohua Liu . . . 18180 3 Oliver Lange . F. . 18180 4 Hsiau-Wei Lee . . . 18180 5 Haleema Janjua . . . 18180 6 Colleen Ciccosanti . . . 18180 7 Huang Wang . . . 18180 8 Thomas Acton . B. . 18180 9 Rong Xiao . . . 18180 10 John Everett . K. . 18180 11 Gaetano Montelione . T. . 18180 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'PSI, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' . 18180 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG)' . 18180 'Protein NMR' . 18180 'Protein Structure Initiative' . 18180 PSI-Biology . 18180 'Structural Genomics' . 18180 'Target HmR11' . 18180 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18180 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 803 18180 '15N chemical shifts' 197 18180 '1H chemical shifts' 1209 18180 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-01-12 2012-01-05 original author . 18180 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LNU 'BMRB Entry Tracking System' 18180 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 18180 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution NMR Structure of the uncharacterized protein from gene locus rrnAC0354 of Haloarcula marismortui. Northeast Structural Genomics Consortium Target HmR11.' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'To be published' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Paolo Rossi . . . 18180 1 2 Gaohua Liu . . . 18180 1 3 Oliver Lange . F. . 18180 1 4 Hsiau-Wei Lee . . . 18180 1 5 Haleema Janjua . . . 18180 1 6 Colleen Ciccosanti . . . 18180 1 7 Huang Wang . . . 18180 1 8 Thomas Acton . B. . 18180 1 9 Rong Xiao . . . 18180 1 10 John Everett . K. . 18180 1 11 Gaetano Montelione . T. . 18180 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18180 _Assembly.ID 1 _Assembly.Name HmR11 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 HmR11 1 $HmR11 A . yes native no no . . . 18180 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HmR11 _Entity.Sf_category entity _Entity.Sf_framecode HmR11 _Entity.Entry_ID 18180 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HmR11 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MDEDTEDWETQLQANRDEKD RFFSEHRQSPIPPEERDDFD GLSYFDPDPDYRVEATVTVH ETPESVDLETSDDRTVRYLH VATLSFDLDGESRDLHAFRQ AADESRTLFVPFRDKTTGQQ SYDGGRYMELEPDRDLSDGD EITLDFNLAYSPFCAYSDTF SCPLPPESNWLETAVTAGER TDLEH ; _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 185 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 21399.959 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2LNU . "Solution Nmr Structure Of The Uncharacterized Protein From Gene Locus Rrnac0354 Of Haloarcula Marismortui, Northeast Structural" . . . . . 100.00 190 100.00 100.00 1.64e-129 . . . . 18180 1 2 no GB AAV45400 . "unknown [Haloarcula marismortui ATCC 43049]" . . . . . 98.38 182 100.00 100.00 6.83e-127 . . . . 18180 1 3 no GB EMA13016 . "hypothetical protein C436_11403 [Haloarcula sinaiiensis ATCC 33800]" . . . . . 98.38 182 99.45 99.45 2.27e-126 . . . . 18180 1 4 no GB EMA22096 . "hypothetical protein C435_05698 [Haloarcula californiae ATCC 33799]" . . . . . 98.38 182 98.90 99.45 7.01e-126 . . . . 18180 1 5 no REF WP_004962568 . "hypothetical protein [Haloarcula sinaiiensis]" . . . . . 98.38 182 99.45 99.45 2.27e-126 . . . . 18180 1 6 no REF WP_007188424 . "hypothetical protein [Haloarcula californiae]" . . . . . 98.38 182 98.90 99.45 7.01e-126 . . . . 18180 1 7 no REF WP_011222974 . "hypothetical protein [Haloarcula marismortui]" . . . . . 98.38 182 100.00 100.00 6.83e-127 . . . . 18180 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 . 18180 1 2 . ASP . 18180 1 3 . GLU . 18180 1 4 . ASP . 18180 1 5 . THR . 18180 1 6 . GLU . 18180 1 7 . ASP . 18180 1 8 . TRP . 18180 1 9 . GLU . 18180 1 10 . THR . 18180 1 11 . GLN . 18180 1 12 . LEU . 18180 1 13 . GLN . 18180 1 14 . ALA . 18180 1 15 . ASN . 18180 1 16 . ARG . 18180 1 17 . ASP . 18180 1 18 . GLU . 18180 1 19 . LYS . 18180 1 20 . ASP . 18180 1 21 . ARG . 18180 1 22 . PHE . 18180 1 23 . PHE . 18180 1 24 . SER . 18180 1 25 . GLU . 18180 1 26 . HIS . 18180 1 27 . ARG . 18180 1 28 . GLN . 18180 1 29 . SER . 18180 1 30 . PRO . 18180 1 31 . ILE . 18180 1 32 . PRO . 18180 1 33 . PRO . 18180 1 34 . GLU . 18180 1 35 . GLU . 18180 1 36 . ARG . 18180 1 37 . ASP . 18180 1 38 . ASP . 18180 1 39 . PHE . 18180 1 40 . ASP . 18180 1 41 . GLY . 18180 1 42 . LEU . 18180 1 43 . SER . 18180 1 44 . TYR . 18180 1 45 . PHE . 18180 1 46 . ASP . 18180 1 47 . PRO . 18180 1 48 . ASP . 18180 1 49 . PRO . 18180 1 50 . ASP . 18180 1 51 . TYR . 18180 1 52 . ARG . 18180 1 53 . VAL . 18180 1 54 . GLU . 18180 1 55 . ALA . 18180 1 56 . THR . 18180 1 57 . VAL . 18180 1 58 . THR . 18180 1 59 . VAL . 18180 1 60 . HIS . 18180 1 61 . GLU . 18180 1 62 . THR . 18180 1 63 . PRO . 18180 1 64 . GLU . 18180 1 65 . SER . 18180 1 66 . VAL . 18180 1 67 . ASP . 18180 1 68 . LEU . 18180 1 69 . GLU . 18180 1 70 . THR . 18180 1 71 . SER . 18180 1 72 . ASP . 18180 1 73 . ASP . 18180 1 74 . ARG . 18180 1 75 . THR . 18180 1 76 . VAL . 18180 1 77 . ARG . 18180 1 78 . TYR . 18180 1 79 . LEU . 18180 1 80 . HIS . 18180 1 81 . VAL . 18180 1 82 . ALA . 18180 1 83 . THR . 18180 1 84 . LEU . 18180 1 85 . SER . 18180 1 86 . PHE . 18180 1 87 . ASP . 18180 1 88 . LEU . 18180 1 89 . ASP . 18180 1 90 . GLY . 18180 1 91 . GLU . 18180 1 92 . SER . 18180 1 93 . ARG . 18180 1 94 . ASP . 18180 1 95 . LEU . 18180 1 96 . HIS . 18180 1 97 . ALA . 18180 1 98 . PHE . 18180 1 99 . ARG . 18180 1 100 . GLN . 18180 1 101 . ALA . 18180 1 102 . ALA . 18180 1 103 . ASP . 18180 1 104 . GLU . 18180 1 105 . SER . 18180 1 106 . ARG . 18180 1 107 . THR . 18180 1 108 . LEU . 18180 1 109 . PHE . 18180 1 110 . VAL . 18180 1 111 . PRO . 18180 1 112 . PHE . 18180 1 113 . ARG . 18180 1 114 . ASP . 18180 1 115 . LYS . 18180 1 116 . THR . 18180 1 117 . THR . 18180 1 118 . GLY . 18180 1 119 . GLN . 18180 1 120 . GLN . 18180 1 121 . SER . 18180 1 122 . TYR . 18180 1 123 . ASP . 18180 1 124 . GLY . 18180 1 125 . GLY . 18180 1 126 . ARG . 18180 1 127 . TYR . 18180 1 128 . MET . 18180 1 129 . GLU . 18180 1 130 . LEU . 18180 1 131 . GLU . 18180 1 132 . PRO . 18180 1 133 . ASP . 18180 1 134 . ARG . 18180 1 135 . ASP . 18180 1 136 . LEU . 18180 1 137 . SER . 18180 1 138 . ASP . 18180 1 139 . GLY . 18180 1 140 . ASP . 18180 1 141 . GLU . 18180 1 142 . ILE . 18180 1 143 . THR . 18180 1 144 . LEU . 18180 1 145 . ASP . 18180 1 146 . PHE . 18180 1 147 . ASN . 18180 1 148 . LEU . 18180 1 149 . ALA . 18180 1 150 . TYR . 18180 1 151 . SER . 18180 1 152 . PRO . 18180 1 153 . PHE . 18180 1 154 . CYS . 18180 1 155 . ALA . 18180 1 156 . TYR . 18180 1 157 . SER . 18180 1 158 . ASP . 18180 1 159 . THR . 18180 1 160 . PHE . 18180 1 161 . SER . 18180 1 162 . CYS . 18180 1 163 . PRO . 18180 1 164 . LEU . 18180 1 165 . PRO . 18180 1 166 . PRO . 18180 1 167 . GLU . 18180 1 168 . SER . 18180 1 169 . ASN . 18180 1 170 . TRP . 18180 1 171 . LEU . 18180 1 172 . GLU . 18180 1 173 . THR . 18180 1 174 . ALA . 18180 1 175 . VAL . 18180 1 176 . THR . 18180 1 177 . ALA . 18180 1 178 . GLY . 18180 1 179 . GLU . 18180 1 180 . ARG . 18180 1 181 . THR . 18180 1 182 . ASP . 18180 1 183 . LEU . 18180 1 184 . GLU . 18180 1 185 . HIS . 18180 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 18180 1 . ASP 2 2 18180 1 . GLU 3 3 18180 1 . ASP 4 4 18180 1 . THR 5 5 18180 1 . GLU 6 6 18180 1 . ASP 7 7 18180 1 . TRP 8 8 18180 1 . GLU 9 9 18180 1 . THR 10 10 18180 1 . GLN 11 11 18180 1 . LEU 12 12 18180 1 . GLN 13 13 18180 1 . ALA 14 14 18180 1 . ASN 15 15 18180 1 . ARG 16 16 18180 1 . ASP 17 17 18180 1 . GLU 18 18 18180 1 . LYS 19 19 18180 1 . ASP 20 20 18180 1 . ARG 21 21 18180 1 . PHE 22 22 18180 1 . PHE 23 23 18180 1 . SER 24 24 18180 1 . GLU 25 25 18180 1 . HIS 26 26 18180 1 . ARG 27 27 18180 1 . GLN 28 28 18180 1 . SER 29 29 18180 1 . PRO 30 30 18180 1 . ILE 31 31 18180 1 . PRO 32 32 18180 1 . PRO 33 33 18180 1 . GLU 34 34 18180 1 . GLU 35 35 18180 1 . ARG 36 36 18180 1 . ASP 37 37 18180 1 . ASP 38 38 18180 1 . PHE 39 39 18180 1 . ASP 40 40 18180 1 . GLY 41 41 18180 1 . LEU 42 42 18180 1 . SER 43 43 18180 1 . TYR 44 44 18180 1 . PHE 45 45 18180 1 . ASP 46 46 18180 1 . PRO 47 47 18180 1 . ASP 48 48 18180 1 . PRO 49 49 18180 1 . ASP 50 50 18180 1 . TYR 51 51 18180 1 . ARG 52 52 18180 1 . VAL 53 53 18180 1 . GLU 54 54 18180 1 . ALA 55 55 18180 1 . THR 56 56 18180 1 . VAL 57 57 18180 1 . THR 58 58 18180 1 . VAL 59 59 18180 1 . HIS 60 60 18180 1 . GLU 61 61 18180 1 . THR 62 62 18180 1 . PRO 63 63 18180 1 . GLU 64 64 18180 1 . SER 65 65 18180 1 . VAL 66 66 18180 1 . ASP 67 67 18180 1 . LEU 68 68 18180 1 . GLU 69 69 18180 1 . THR 70 70 18180 1 . SER 71 71 18180 1 . ASP 72 72 18180 1 . ASP 73 73 18180 1 . ARG 74 74 18180 1 . THR 75 75 18180 1 . VAL 76 76 18180 1 . ARG 77 77 18180 1 . TYR 78 78 18180 1 . LEU 79 79 18180 1 . HIS 80 80 18180 1 . VAL 81 81 18180 1 . ALA 82 82 18180 1 . THR 83 83 18180 1 . LEU 84 84 18180 1 . SER 85 85 18180 1 . PHE 86 86 18180 1 . ASP 87 87 18180 1 . LEU 88 88 18180 1 . ASP 89 89 18180 1 . GLY 90 90 18180 1 . GLU 91 91 18180 1 . SER 92 92 18180 1 . ARG 93 93 18180 1 . ASP 94 94 18180 1 . LEU 95 95 18180 1 . HIS 96 96 18180 1 . ALA 97 97 18180 1 . PHE 98 98 18180 1 . ARG 99 99 18180 1 . GLN 100 100 18180 1 . ALA 101 101 18180 1 . ALA 102 102 18180 1 . ASP 103 103 18180 1 . GLU 104 104 18180 1 . SER 105 105 18180 1 . ARG 106 106 18180 1 . THR 107 107 18180 1 . LEU 108 108 18180 1 . PHE 109 109 18180 1 . VAL 110 110 18180 1 . PRO 111 111 18180 1 . PHE 112 112 18180 1 . ARG 113 113 18180 1 . ASP 114 114 18180 1 . LYS 115 115 18180 1 . THR 116 116 18180 1 . THR 117 117 18180 1 . GLY 118 118 18180 1 . GLN 119 119 18180 1 . GLN 120 120 18180 1 . SER 121 121 18180 1 . TYR 122 122 18180 1 . ASP 123 123 18180 1 . GLY 124 124 18180 1 . GLY 125 125 18180 1 . ARG 126 126 18180 1 . TYR 127 127 18180 1 . MET 128 128 18180 1 . GLU 129 129 18180 1 . LEU 130 130 18180 1 . GLU 131 131 18180 1 . PRO 132 132 18180 1 . ASP 133 133 18180 1 . ARG 134 134 18180 1 . ASP 135 135 18180 1 . LEU 136 136 18180 1 . SER 137 137 18180 1 . ASP 138 138 18180 1 . GLY 139 139 18180 1 . ASP 140 140 18180 1 . GLU 141 141 18180 1 . ILE 142 142 18180 1 . THR 143 143 18180 1 . LEU 144 144 18180 1 . ASP 145 145 18180 1 . PHE 146 146 18180 1 . ASN 147 147 18180 1 . LEU 148 148 18180 1 . ALA 149 149 18180 1 . TYR 150 150 18180 1 . SER 151 151 18180 1 . PRO 152 152 18180 1 . PHE 153 153 18180 1 . CYS 154 154 18180 1 . ALA 155 155 18180 1 . TYR 156 156 18180 1 . SER 157 157 18180 1 . ASP 158 158 18180 1 . THR 159 159 18180 1 . PHE 160 160 18180 1 . SER 161 161 18180 1 . CYS 162 162 18180 1 . PRO 163 163 18180 1 . LEU 164 164 18180 1 . PRO 165 165 18180 1 . PRO 166 166 18180 1 . GLU 167 167 18180 1 . SER 168 168 18180 1 . ASN 169 169 18180 1 . TRP 170 170 18180 1 . LEU 171 171 18180 1 . GLU 172 172 18180 1 . THR 173 173 18180 1 . ALA 174 174 18180 1 . VAL 175 175 18180 1 . THR 176 176 18180 1 . ALA 177 177 18180 1 . GLY 178 178 18180 1 . GLU 179 179 18180 1 . ARG 180 180 18180 1 . THR 181 181 18180 1 . ASP 182 182 18180 1 . LEU 183 183 18180 1 . GLU 184 184 18180 1 . HIS 185 185 18180 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 18180 _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 $HmR11 . 2238 organism . 'Haloarcula marismortui' 'Haloarcula marismortui' . . Archaea . Haloarcula marismortui . . . . . . . . . . . . . . . . rrnAC0354 . . . . 18180 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 18180 _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 $HmR11 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3)pMgK . . . . . . . . . . . . . . . pET15_NESG . . . . . . 18180 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18180 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.7 mM [U-100% 13C; U-100% 15N] HmR11, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 HmR11-1 '[U-100% 13C; U-100% 15N]' . . 1 $HmR11 . . 0.7 . . mM . . . . 18180 1 2 NaN3-2 'natural abundance' . . . . . . 0.02 . . % . . . . 18180 1 3 DTT-3 'natural abundance' . . . . . . 10 . . mM . . . . 18180 1 4 CaCL2-4 'natural abundance' . . . . . . 5 . . mM . . . . 18180 1 5 NaCL-5 'natural abundance' . . . . . . 100 . . mM . . . . 18180 1 6 'Proteinase Inhibitors-6' 'natural abundance' . . . . . . 1 . . x . . . . 18180 1 7 'MES pH 6.5-7' 'natural abundance' . . . . . . 20 . . mM . . . . 18180 1 8 D2O-8 'natural abundance' . . . . . . 10 . . % . . . . 18180 1 9 DSS-9 'natural abundance' . . . . . . 50 . . uM . . . . 18180 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18180 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.2 mM [5% 13C; U-100% 15N] HmR11, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 HmR11-1 '[U-5% 13C; U-100% 15N]' . . 1 $HmR11 . . 1.2 . . mM . . . . 18180 2 2 NaN3-2 'natural abundance' . . . . . . 0.02 . . % . . . . 18180 2 3 DTT-3 'natural abundance' . . . . . . 10 . . mM . . . . 18180 2 4 CaCL2-4 'natural abundance' . . . . . . 5 . . mM . . . . 18180 2 5 NaCL-5 'natural abundance' . . . . . . 100 . . mM . . . . 18180 2 6 'Proteinase Inhibitors-6' 'natural abundance' . . . . . . 1 . . x . . . . 18180 2 7 'MES pH 6.5-7' 'natural abundance' . . . . . . 20 . . mM . . . . 18180 2 8 D2O-8 'natural abundance' . . . . . . 10 . . % . . . . 18180 2 9 DSS-9 'natural abundance' . . . . . . 50 . . uM . . . . 18180 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 18180 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.75 mM [5% 13C; U-100% 15N] HmR11, 95% H2O/5% D2O split and aligned in PEG & Phage ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 HmR11 '[U-5% 13C; U-100% 15N]' . . 1 $HmR11 . . 0.75 . . mM . . . . 18180 3 2 NaN3-2 'natural abundance' . . . . . . 0.02 . . % . . . . 18180 3 3 DTT-3 'natural abundance' . . . . . . 10 . . mM . . . . 18180 3 4 CaCL2-4 'natural abundance' . . . . . . 5 . . mM . . . . 18180 3 5 NaCL-5 'natural abundance' . . . . . . 100 . . mM . . . . 18180 3 6 'Proteinase Inhibitors-6' 'natural abundance' . . . . . . 1 . . x . . . . 18180 3 7 'MES pH 6.5-7' 'natural abundance' . . . . . . 20 . . mM . . . . 18180 3 8 D2O-8 'natural abundance' . . . . . . 10 . . % . . . . 18180 3 9 DSS-9 'natural abundance' . . . . . . 50 . . uM . . . . 18180 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18180 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 . pH 18180 1 pressure 1 . atm 18180 1 temperature 298 . K 18180 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 18180 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 18180 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'refinemen,structure solution,geometry optimization' 18180 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18180 _Software.ID 2 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18180 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'refinement,geometry optimization,structure solution' 18180 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18180 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18180 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18180 3 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 18180 _Software.ID 4 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 18180 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis,peak picking,chemical shift assignment' 18180 4 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18180 _Software.ID 5 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18180 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18180 5 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 18180 _Software.ID 6 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 18180 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18180 6 stop_ save_ save_PINE _Software.Sf_category software _Software.Sf_framecode PINE _Software.Entry_ID 18180 _Software.ID 7 _Software.Name PINE _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bahrami, Markley, Assadi, and Eghbalnia' . . 18180 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18180 7 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18180 _Software.ID 8 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18180 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18180 8 stop_ save_ save_TALOS+ _Software.Sf_category software _Software.Sf_framecode TALOS+ _Software.Entry_ID 18180 _Software.ID 9 _Software.Name TALOS+ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Shen, Cornilescu, Delaglio and Bax' . . 18180 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 18180 9 stop_ save_ save_PALES _Software.Sf_category software _Software.Sf_framecode PALES _Software.Entry_ID 18180 _Software.ID 10 _Software.Name PALES _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'PALES (Zweckstetter, Bax)' . . 18180 10 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 18180 10 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 18180 _Software.ID 11 _Software.Name PSVS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya, Montelione' . . 18180 11 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure validation' 18180 11 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18180 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18180 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18180 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . 1 $citations 18180 1 2 spectrometer_2 Varian INOVA . 600 . 1 $citations 18180 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 18180 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18180 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18180 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18180 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18180 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18180 1 6 '3D 1H-13C arom NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18180 1 7 '3D 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18180 1 8 '2D hetnoe' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18180 1 9 '1D T1 inv.rec' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18180 1 10 '1D T2 CPMG' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18180 1 11 '2D 1H-13C HSQC highres' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18180 1 12 'Jmod 15N TROSY' no . . . . . . . . . . 3 $sample_3 anisotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18180 1 13 'jmod 15N TROSY' no . . . . . . . . . . 3 $sample_3 anisotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18180 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 18180 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D 1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqu 'acquisition parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18180/timedomain_data/B800/HmR11.005_NC_031111/LSW_N15_hsqc/ . . . . . . . 18180 1 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18180/timedomain_data/B800/HmR11.005_NC_031111/LSW_N15_hsqc/ . . . . . . . 18180 1 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18180/timedomain_data/B800/HmR11.005_NC_031111/LSW_N15_hsqc/ . . . . . . . 18180 1 . 'NMR Experimental Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18180/timedomain_data/B800/HmR11.005_NC_031111/LSW_N15_hsqc/ . . . . . . . 18180 1 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 18180 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '3D HNCO' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqu 'acquisition parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18180/timedomain_data/B800/HmR11.005_NC_031111/TRHNCO/ . . . . . . . 18180 2 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18180/timedomain_data/B800/HmR11.005_NC_031111/TRHNCO/ . . . . . . . 18180 2 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18180/timedomain_data/B800/HmR11.005_NC_031111/TRHNCO/ . . . . . . . 18180 2 . 'NMR Experimental Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18180/timedomain_data/B800/HmR11.005_NC_031111/TRHNCO/ . . . . . . . 18180 2 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 18180 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D CBCA(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqu 'acquisition parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18180/timedomain_data/B800/HmR11.005_NC_031111/CBCACONH/ . . . . . . . 18180 3 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18180/timedomain_data/B800/HmR11.005_NC_031111/CBCACONH/ . . . . . . . 18180 3 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18180/timedomain_data/B800/HmR11.005_NC_031111/CBCACONH/ . . . . . . . 18180 3 . 'NMR Experimental Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18180/timedomain_data/B800/HmR11.005_NC_031111/CBCACONH/ . . . . . . . 18180 3 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 18180 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D HNCACB' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqu 'acquisition parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18180/timedomain_data/B800/HmR11.005_NC_031111/partHNCACB/ . . . . . . . 18180 4 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18180/timedomain_data/B800/HmR11.005_NC_031111/partHNCACB/ . . . . . . . 18180 4 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18180/timedomain_data/B800/HmR11.005_NC_031111/partHNCACB/ . . . . . . . 18180 4 . 'NMR Experimental Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18180/timedomain_data/B800/HmR11.005_NC_031111/partHNCACB/ . . . . . . . 18180 4 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 18180 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D 1H-13C arom NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqu 'acquisition parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18180/timedomain_data/B800/HmR11.005_NC_031111/aro_noesy/ . . . . . . . 18180 5 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18180/timedomain_data/B800/HmR11.005_NC_031111/aro_noesy/ . . . . . . . 18180 5 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18180/timedomain_data/B800/HmR11.005_NC_031111/aro_noesy/ . . . . . . . 18180 5 . 'NMR Experimental Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18180/timedomain_data/B800/HmR11.005_NC_031111/aro_noesy/ . . . . . . . 18180 5 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 18180 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqu 'acquisition parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18180/timedomain_data/B800/HmR11.005_NC_031111/n_noesy/ . . . . . . . 18180 6 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18180/timedomain_data/B800/HmR11.005_NC_031111/n_noesy/ . . . . . . . 18180 6 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18180/timedomain_data/B800/HmR11.005_NC_031111/n_noesy/ . . . . . . . 18180 6 . 'NMR Experimental Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18180/timedomain_data/B800/HmR11.005_NC_031111/n_noesy/ . . . . . . . 18180 6 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 18180 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '2D hetnoe' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqu 'acquisition parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18180/timedomain_data/B800/HmR11.007_NC5_031111/HETnoe_on/ . . . . . . . 18180 7 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18180/timedomain_data/B800/HmR11.007_NC5_031111/HETnoe_on/ . . . . . . . 18180 7 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18180/timedomain_data/B800/HmR11.007_NC5_031111/HETnoe_on/ . . . . . . . 18180 7 . 'NMR Experimental Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18180/timedomain_data/B800/HmR11.007_NC5_031111/HETnoe_on/ . . . . . . . 18180 7 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 18180 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '1D T1 inv.rec' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqu 'acquisition parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18180/timedomain_data/B800/HmR11.007_NC5_031111/T1_invrec/ . . . . . . . 18180 8 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18180/timedomain_data/B800/HmR11.007_NC5_031111/T1_invrec/ . . . . . . . 18180 8 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18180/timedomain_data/B800/HmR11.007_NC5_031111/T1_invrec/ . . . . . . . 18180 8 . 'NMR Experimental Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18180/timedomain_data/B800/HmR11.007_NC5_031111/T1_invrec/ . . . . . . . 18180 8 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 18180 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '1D T2 CPMG' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqu 'acquisition parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18180/timedomain_data/B800/HmR11.007_NC5_031111/T2_CPMG/ . . . . . . . 18180 9 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18180/timedomain_data/B800/HmR11.007_NC5_031111/T2_CPMG/ . . . . . . . 18180 9 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18180/timedomain_data/B800/HmR11.007_NC5_031111/T2_CPMG/ . . . . . . . 18180 9 . 'NMR Experimental Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18180/timedomain_data/B800/HmR11.007_NC5_031111/T2_CPMG/ . . . . . . . 18180 9 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 18180 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '2D 1H-13C HSQC highres' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqu 'acquisition parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18180/timedomain_data/B800/HmR11.007_NC5_031111/stereo_hsqc/ . . . . . . . 18180 10 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18180/timedomain_data/B800/HmR11.007_NC5_031111/stereo_hsqc/ . . . . . . . 18180 10 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18180/timedomain_data/B800/HmR11.007_NC5_031111/stereo_hsqc/ . . . . . . . 18180 10 . 'NMR Experimental Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18180/timedomain_data/B800/HmR11.007_NC5_031111/stereo_hsqc/ . . . . . . . 18180 10 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18180 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18180 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18180 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18180 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18180 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18180 1 2 '2D 1H-13C HSQC' . . . 18180 1 7 '3D 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' . . . 18180 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.131 0.02 . 1 . . . . 1 MET HA . 18180 1 2 . 1 1 1 1 MET HB2 H 1 2.602 0.02 . 2 . . . . 1 MET HB2 . 18180 1 3 . 1 1 1 1 MET HB3 H 1 2.602 0.02 . 2 . . . . 1 MET HB3 . 18180 1 4 . 1 1 1 1 MET HG2 H 1 2.299 0.02 . 2 . . . . 1 MET HG2 . 18180 1 5 . 1 1 1 1 MET HG3 H 1 2.284 0.02 . 2 . . . . 1 MET HG3 . 18180 1 6 . 1 1 1 1 MET HE1 H 1 2.079 0.02 . 1 . . . . 1 MET HE . 18180 1 7 . 1 1 1 1 MET HE2 H 1 2.079 0.02 . 1 . . . . 1 MET HE . 18180 1 8 . 1 1 1 1 MET HE3 H 1 2.079 0.02 . 1 . . . . 1 MET HE . 18180 1 9 . 1 1 1 1 MET CA C 13 55.198 0.3 . 1 . . . . 1 MET CA . 18180 1 10 . 1 1 1 1 MET CB C 13 30.943 0.3 . 1 . . . . 1 MET CB . 18180 1 11 . 1 1 1 1 MET CG C 13 32.517 0.3 . 1 . . . . 1 MET CG . 18180 1 12 . 1 1 1 1 MET CE C 13 16.847 0.3 . 1 . . . . 1 MET CE . 18180 1 13 . 1 1 2 2 ASP HA H 1 4.641 0.02 . 1 . . . . 2 ASP HA . 18180 1 14 . 1 1 2 2 ASP HB2 H 1 2.657 0.02 . 2 . . . . 2 ASP HB2 . 18180 1 15 . 1 1 2 2 ASP HB3 H 1 2.790 0.02 . 2 . . . . 2 ASP HB3 . 18180 1 16 . 1 1 2 2 ASP C C 13 176.238 0.3 . 1 . . . . 2 ASP C . 18180 1 17 . 1 1 2 2 ASP CA C 13 54.757 0.3 . 1 . . . . 2 ASP CA . 18180 1 18 . 1 1 2 2 ASP CB C 13 41.046 0.3 . 1 . . . . 2 ASP CB . 18180 1 19 . 1 1 3 3 GLU H H 1 8.696 0.02 . 1 . . . . 3 GLU H . 18180 1 20 . 1 1 3 3 GLU HA H 1 4.260 0.02 . 1 . . . . 3 GLU HA . 18180 1 21 . 1 1 3 3 GLU HB2 H 1 1.971 0.02 . 2 . . . . 3 GLU HB2 . 18180 1 22 . 1 1 3 3 GLU HB3 H 1 2.078 0.02 . 2 . . . . 3 GLU HB3 . 18180 1 23 . 1 1 3 3 GLU HG2 H 1 2.310 0.02 . 2 . . . . 3 GLU HG2 . 18180 1 24 . 1 1 3 3 GLU HG3 H 1 2.310 0.02 . 2 . . . . 3 GLU HG3 . 18180 1 25 . 1 1 3 3 GLU C C 13 177.028 0.3 . 1 . . . . 3 GLU C . 18180 1 26 . 1 1 3 3 GLU CA C 13 57.418 0.3 . 1 . . . . 3 GLU CA . 18180 1 27 . 1 1 3 3 GLU CB C 13 30.075 0.3 . 1 . . . . 3 GLU CB . 18180 1 28 . 1 1 3 3 GLU CG C 13 36.160 0.3 . 1 . . . . 3 GLU CG . 18180 1 29 . 1 1 3 3 GLU N N 15 121.287 0.3 . 1 . . . . 3 GLU N . 18180 1 30 . 1 1 4 4 ASP H H 1 8.526 0.02 . 1 . . . . 4 ASP H . 18180 1 31 . 1 1 4 4 ASP HA H 1 4.710 0.02 . 1 . . . . 4 ASP HA . 18180 1 32 . 1 1 4 4 ASP HB2 H 1 2.808 0.02 . 2 . . . . 4 ASP HB2 . 18180 1 33 . 1 1 4 4 ASP HB3 H 1 2.764 0.02 . 2 . . . . 4 ASP HB3 . 18180 1 34 . 1 1 4 4 ASP C C 13 177.699 0.3 . 1 . . . . 4 ASP C . 18180 1 35 . 1 1 4 4 ASP CA C 13 54.757 0.3 . 1 . . . . 4 ASP CA . 18180 1 36 . 1 1 4 4 ASP CB C 13 41.069 0.3 . 1 . . . . 4 ASP CB . 18180 1 37 . 1 1 4 4 ASP N N 15 121.025 0.3 . 1 . . . . 4 ASP N . 18180 1 38 . 1 1 5 5 THR H H 1 8.220 0.02 . 1 . . . . 5 THR H . 18180 1 39 . 1 1 5 5 THR HA H 1 4.347 0.02 . 1 . . . . 5 THR HA . 18180 1 40 . 1 1 5 5 THR HB H 1 4.391 0.02 . 1 . . . . 5 THR HB . 18180 1 41 . 1 1 5 5 THR HG21 H 1 1.260 0.02 . 1 . . . . 5 THR HG2 . 18180 1 42 . 1 1 5 5 THR HG22 H 1 1.260 0.02 . 1 . . . . 5 THR HG2 . 18180 1 43 . 1 1 5 5 THR HG23 H 1 1.260 0.02 . 1 . . . . 5 THR HG2 . 18180 1 44 . 1 1 5 5 THR C C 13 175.861 0.3 . 1 . . . . 5 THR C . 18180 1 45 . 1 1 5 5 THR CA C 13 63.590 0.3 . 1 . . . . 5 THR CA . 18180 1 46 . 1 1 5 5 THR CB C 13 69.380 0.3 . 1 . . . . 5 THR CB . 18180 1 47 . 1 1 5 5 THR CG2 C 13 21.915 0.3 . 1 . . . . 5 THR CG2 . 18180 1 48 . 1 1 5 5 THR N N 15 115.498 0.3 . 1 . . . . 5 THR N . 18180 1 49 . 1 1 6 6 GLU H H 1 8.493 0.02 . 1 . . . . 6 GLU H . 18180 1 50 . 1 1 6 6 GLU HA H 1 4.310 0.02 . 1 . . . . 6 GLU HA . 18180 1 51 . 1 1 6 6 GLU HB2 H 1 2.083 0.02 . 2 . . . . 6 GLU HB2 . 18180 1 52 . 1 1 6 6 GLU HB3 H 1 2.083 0.02 . 2 . . . . 6 GLU HB3 . 18180 1 53 . 1 1 6 6 GLU HG2 H 1 2.373 0.02 . 2 . . . . 6 GLU HG2 . 18180 1 54 . 1 1 6 6 GLU HG3 H 1 2.313 0.02 . 2 . . . . 6 GLU HG3 . 18180 1 55 . 1 1 6 6 GLU C C 13 178.209 0.3 . 1 . . . . 6 GLU C . 18180 1 56 . 1 1 6 6 GLU CA C 13 58.373 0.3 . 1 . . . . 6 GLU CA . 18180 1 57 . 1 1 6 6 GLU CB C 13 29.991 0.3 . 1 . . . . 6 GLU CB . 18180 1 58 . 1 1 6 6 GLU CG C 13 36.250 0.3 . 1 . . . . 6 GLU CG . 18180 1 59 . 1 1 6 6 GLU N N 15 123.169 0.3 . 1 . . . . 6 GLU N . 18180 1 60 . 1 1 7 7 ASP H H 1 8.480 0.02 . 1 . . . . 7 ASP H . 18180 1 61 . 1 1 7 7 ASP HA H 1 4.566 0.02 . 1 . . . . 7 ASP HA . 18180 1 62 . 1 1 7 7 ASP HB2 H 1 2.806 0.02 . 2 . . . . 7 ASP HB2 . 18180 1 63 . 1 1 7 7 ASP HB3 H 1 2.806 0.02 . 2 . . . . 7 ASP HB3 . 18180 1 64 . 1 1 7 7 ASP C C 13 177.666 0.3 . 1 . . . . 7 ASP C . 18180 1 65 . 1 1 7 7 ASP CA C 13 55.828 0.3 . 1 . . . . 7 ASP CA . 18180 1 66 . 1 1 7 7 ASP CB C 13 40.939 0.3 . 1 . . . . 7 ASP CB . 18180 1 67 . 1 1 7 7 ASP N N 15 121.579 0.3 . 1 . . . . 7 ASP N . 18180 1 68 . 1 1 8 8 TRP H H 1 8.397 0.02 . 1 . . . . 8 TRP H . 18180 1 69 . 1 1 8 8 TRP HA H 1 4.265 0.02 . 1 . . . . 8 TRP HA . 18180 1 70 . 1 1 8 8 TRP HB2 H 1 3.437 0.02 . 2 . . . . 8 TRP HB2 . 18180 1 71 . 1 1 8 8 TRP HB3 H 1 3.400 0.02 . 2 . . . . 8 TRP HB3 . 18180 1 72 . 1 1 8 8 TRP HD1 H 1 7.334 0.02 . 1 . . . . 8 TRP HD1 . 18180 1 73 . 1 1 8 8 TRP HE1 H 1 10.634 0.02 . 1 . . . . 8 TRP HE1 . 18180 1 74 . 1 1 8 8 TRP HE3 H 1 7.829 0.02 . 1 . . . . 8 TRP HE3 . 18180 1 75 . 1 1 8 8 TRP HZ2 H 1 7.613 0.02 . 1 . . . . 8 TRP HZ2 . 18180 1 76 . 1 1 8 8 TRP HZ3 H 1 6.998 0.02 . 1 . . . . 8 TRP HZ3 . 18180 1 77 . 1 1 8 8 TRP HH2 H 1 6.655 0.02 . 1 . . . . 8 TRP HH2 . 18180 1 78 . 1 1 8 8 TRP C C 13 177.979 0.3 . 1 . . . . 8 TRP C . 18180 1 79 . 1 1 8 8 TRP CA C 13 61.579 0.3 . 1 . . . . 8 TRP CA . 18180 1 80 . 1 1 8 8 TRP CB C 13 27.873 0.3 . 1 . . . . 8 TRP CB . 18180 1 81 . 1 1 8 8 TRP CD1 C 13 127.324 0.3 . 1 . . . . 8 TRP CD1 . 18180 1 82 . 1 1 8 8 TRP CE3 C 13 121.419 0.3 . 1 . . . . 8 TRP CE3 . 18180 1 83 . 1 1 8 8 TRP CZ2 C 13 114.415 0.3 . 1 . . . . 8 TRP CZ2 . 18180 1 84 . 1 1 8 8 TRP CZ3 C 13 121.262 0.3 . 1 . . . . 8 TRP CZ3 . 18180 1 85 . 1 1 8 8 TRP CH2 C 13 122.458 0.3 . 1 . . . . 8 TRP CH2 . 18180 1 86 . 1 1 8 8 TRP N N 15 122.978 0.3 . 1 . . . . 8 TRP N . 18180 1 87 . 1 1 8 8 TRP NE1 N 15 130.906 0.3 . 1 . . . . 8 TRP NE1 . 18180 1 88 . 1 1 9 9 GLU H H 1 10.280 0.02 . 1 . . . . 9 GLU H . 18180 1 89 . 1 1 9 9 GLU HA H 1 2.888 0.02 . 1 . . . . 9 GLU HA . 18180 1 90 . 1 1 9 9 GLU HB2 H 1 2.098 0.02 . 2 . . . . 9 GLU HB2 . 18180 1 91 . 1 1 9 9 GLU HB3 H 1 1.991 0.02 . 2 . . . . 9 GLU HB3 . 18180 1 92 . 1 1 9 9 GLU HG2 H 1 2.055 0.02 . 2 . . . . 9 GLU HG2 . 18180 1 93 . 1 1 9 9 GLU HG3 H 1 2.055 0.02 . 2 . . . . 9 GLU HG3 . 18180 1 94 . 1 1 9 9 GLU C C 13 179.126 0.3 . 1 . . . . 9 GLU C . 18180 1 95 . 1 1 9 9 GLU CA C 13 60.184 0.3 . 1 . . . . 9 GLU CA . 18180 1 96 . 1 1 9 9 GLU CB C 13 29.277 0.3 . 1 . . . . 9 GLU CB . 18180 1 97 . 1 1 9 9 GLU CG C 13 36.712 0.3 . 1 . . . . 9 GLU CG . 18180 1 98 . 1 1 9 9 GLU N N 15 122.265 0.3 . 1 . . . . 9 GLU N . 18180 1 99 . 1 1 10 10 THR H H 1 8.106 0.02 . 1 . . . . 10 THR H . 18180 1 100 . 1 1 10 10 THR HA H 1 3.834 0.02 . 1 . . . . 10 THR HA . 18180 1 101 . 1 1 10 10 THR HB H 1 4.244 0.02 . 1 . . . . 10 THR HB . 18180 1 102 . 1 1 10 10 THR HG21 H 1 1.232 0.02 . 1 . . . . 10 THR HG2 . 18180 1 103 . 1 1 10 10 THR HG22 H 1 1.232 0.02 . 1 . . . . 10 THR HG2 . 18180 1 104 . 1 1 10 10 THR HG23 H 1 1.232 0.02 . 1 . . . . 10 THR HG2 . 18180 1 105 . 1 1 10 10 THR C C 13 177.879 0.3 . 1 . . . . 10 THR C . 18180 1 106 . 1 1 10 10 THR CA C 13 66.331 0.3 . 1 . . . . 10 THR CA . 18180 1 107 . 1 1 10 10 THR CB C 13 68.580 0.3 . 1 . . . . 10 THR CB . 18180 1 108 . 1 1 10 10 THR CG2 C 13 21.706 0.3 . 1 . . . . 10 THR CG2 . 18180 1 109 . 1 1 10 10 THR N N 15 116.307 0.3 . 1 . . . . 10 THR N . 18180 1 110 . 1 1 11 11 GLN H H 1 8.093 0.02 . 1 . . . . 11 GLN H . 18180 1 111 . 1 1 11 11 GLN HA H 1 4.033 0.02 . 1 . . . . 11 GLN HA . 18180 1 112 . 1 1 11 11 GLN HB2 H 1 2.093 0.02 . 2 . . . . 11 GLN HB2 . 18180 1 113 . 1 1 11 11 GLN HB3 H 1 2.093 0.02 . 2 . . . . 11 GLN HB3 . 18180 1 114 . 1 1 11 11 GLN HG2 H 1 2.458 0.02 . 2 . . . . 11 GLN HG2 . 18180 1 115 . 1 1 11 11 GLN HG3 H 1 2.350 0.02 . 2 . . . . 11 GLN HG3 . 18180 1 116 . 1 1 11 11 GLN C C 13 178.298 0.3 . 1 . . . . 11 GLN C . 18180 1 117 . 1 1 11 11 GLN CA C 13 58.667 0.3 . 1 . . . . 11 GLN CA . 18180 1 118 . 1 1 11 11 GLN CB C 13 28.142 0.3 . 1 . . . . 11 GLN CB . 18180 1 119 . 1 1 11 11 GLN CG C 13 33.956 0.3 . 1 . . . . 11 GLN CG . 18180 1 120 . 1 1 11 11 GLN N N 15 122.311 0.3 . 1 . . . . 11 GLN N . 18180 1 121 . 1 1 12 12 LEU H H 1 7.998 0.02 . 1 . . . . 12 LEU H . 18180 1 122 . 1 1 12 12 LEU HA H 1 3.847 0.02 . 1 . . . . 12 LEU HA . 18180 1 123 . 1 1 12 12 LEU HB2 H 1 1.267 0.02 . 2 . . . . 12 LEU HB2 . 18180 1 124 . 1 1 12 12 LEU HB3 H 1 0.919 0.02 . 2 . . . . 12 LEU HB3 . 18180 1 125 . 1 1 12 12 LEU HG H 1 1.009 0.02 . 1 . . . . 12 LEU HG . 18180 1 126 . 1 1 12 12 LEU HD11 H 1 0.574 0.02 . 1 . . . . 12 LEU HD1 . 18180 1 127 . 1 1 12 12 LEU HD12 H 1 0.574 0.02 . 1 . . . . 12 LEU HD1 . 18180 1 128 . 1 1 12 12 LEU HD13 H 1 0.574 0.02 . 1 . . . . 12 LEU HD1 . 18180 1 129 . 1 1 12 12 LEU HD21 H 1 0.405 0.02 . 1 . . . . 12 LEU HD2 . 18180 1 130 . 1 1 12 12 LEU HD22 H 1 0.405 0.02 . 1 . . . . 12 LEU HD2 . 18180 1 131 . 1 1 12 12 LEU HD23 H 1 0.405 0.02 . 1 . . . . 12 LEU HD2 . 18180 1 132 . 1 1 12 12 LEU C C 13 179.597 0.3 . 1 . . . . 12 LEU C . 18180 1 133 . 1 1 12 12 LEU CA C 13 57.859 0.3 . 1 . . . . 12 LEU CA . 18180 1 134 . 1 1 12 12 LEU CB C 13 41.804 0.3 . 1 . . . . 12 LEU CB . 18180 1 135 . 1 1 12 12 LEU CG C 13 26.847 0.3 . 1 . . . . 12 LEU CG . 18180 1 136 . 1 1 12 12 LEU CD1 C 13 24.555 0.3 . 1 . . . . 12 LEU CD1 . 18180 1 137 . 1 1 12 12 LEU CD2 C 13 26.252 0.3 . 1 . . . . 12 LEU CD2 . 18180 1 138 . 1 1 12 12 LEU N N 15 122.368 0.3 . 1 . . . . 12 LEU N . 18180 1 139 . 1 1 13 13 GLN H H 1 8.003 0.02 . 1 . . . . 13 GLN H . 18180 1 140 . 1 1 13 13 GLN HA H 1 3.688 0.02 . 1 . . . . 13 GLN HA . 18180 1 141 . 1 1 13 13 GLN HB2 H 1 2.050 0.02 . 2 . . . . 13 GLN HB2 . 18180 1 142 . 1 1 13 13 GLN HB3 H 1 2.040 0.02 . 2 . . . . 13 GLN HB3 . 18180 1 143 . 1 1 13 13 GLN HG2 H 1 2.324 0.02 . 2 . . . . 13 GLN HG2 . 18180 1 144 . 1 1 13 13 GLN HG3 H 1 2.326 0.02 . 2 . . . . 13 GLN HG3 . 18180 1 145 . 1 1 13 13 GLN HE21 H 1 7.697 0.02 . 2 . . . . 13 GLN HE21 . 18180 1 146 . 1 1 13 13 GLN HE22 H 1 6.889 0.02 . 2 . . . . 13 GLN HE22 . 18180 1 147 . 1 1 13 13 GLN C C 13 178.388 0.3 . 1 . . . . 13 GLN C . 18180 1 148 . 1 1 13 13 GLN CA C 13 58.278 0.3 . 1 . . . . 13 GLN CA . 18180 1 149 . 1 1 13 13 GLN CB C 13 28.017 0.3 . 1 . . . . 13 GLN CB . 18180 1 150 . 1 1 13 13 GLN CG C 13 33.040 0.3 . 1 . . . . 13 GLN CG . 18180 1 151 . 1 1 13 13 GLN N N 15 117.779 0.3 . 1 . . . . 13 GLN N . 18180 1 152 . 1 1 13 13 GLN NE2 N 15 115.154 0.3 . 1 . . . . 13 GLN NE2 . 18180 1 153 . 1 1 14 14 ALA H H 1 8.017 0.02 . 1 . . . . 14 ALA H . 18180 1 154 . 1 1 14 14 ALA HA H 1 4.206 0.02 . 1 . . . . 14 ALA HA . 18180 1 155 . 1 1 14 14 ALA HB1 H 1 1.485 0.02 . 1 . . . . 14 ALA HB . 18180 1 156 . 1 1 14 14 ALA HB2 H 1 1.485 0.02 . 1 . . . . 14 ALA HB . 18180 1 157 . 1 1 14 14 ALA HB3 H 1 1.485 0.02 . 1 . . . . 14 ALA HB . 18180 1 158 . 1 1 14 14 ALA C C 13 181.251 0.3 . 1 . . . . 14 ALA C . 18180 1 159 . 1 1 14 14 ALA CA C 13 55.298 0.3 . 1 . . . . 14 ALA CA . 18180 1 160 . 1 1 14 14 ALA CB C 13 17.516 0.3 . 1 . . . . 14 ALA CB . 18180 1 161 . 1 1 14 14 ALA N N 15 121.826 0.3 . 1 . . . . 14 ALA N . 18180 1 162 . 1 1 15 15 ASN H H 1 8.180 0.02 . 1 . . . . 15 ASN H . 18180 1 163 . 1 1 15 15 ASN HA H 1 4.418 0.02 . 1 . . . . 15 ASN HA . 18180 1 164 . 1 1 15 15 ASN HB2 H 1 2.935 0.02 . 2 . . . . 15 ASN HB2 . 18180 1 165 . 1 1 15 15 ASN HB3 H 1 2.823 0.02 . 2 . . . . 15 ASN HB3 . 18180 1 166 . 1 1 15 15 ASN HD21 H 1 7.468 0.02 . 2 . . . . 15 ASN HD21 . 18180 1 167 . 1 1 15 15 ASN HD22 H 1 6.956 0.02 . 2 . . . . 15 ASN HD22 . 18180 1 168 . 1 1 15 15 ASN C C 13 179.281 0.3 . 1 . . . . 15 ASN C . 18180 1 169 . 1 1 15 15 ASN CA C 13 56.109 0.3 . 1 . . . . 15 ASN CA . 18180 1 170 . 1 1 15 15 ASN CB C 13 38.135 0.3 . 1 . . . . 15 ASN CB . 18180 1 171 . 1 1 15 15 ASN N N 15 118.570 0.3 . 1 . . . . 15 ASN N . 18180 1 172 . 1 1 15 15 ASN ND2 N 15 111.837 0.3 . 1 . . . . 15 ASN ND2 . 18180 1 173 . 1 1 16 16 ARG H H 1 8.146 0.02 . 1 . . . . 16 ARG H . 18180 1 174 . 1 1 16 16 ARG HA H 1 3.822 0.02 . 1 . . . . 16 ARG HA . 18180 1 175 . 1 1 16 16 ARG HB2 H 1 1.771 0.02 . 2 . . . . 16 ARG HB2 . 18180 1 176 . 1 1 16 16 ARG HB3 H 1 2.085 0.02 . 2 . . . . 16 ARG HB3 . 18180 1 177 . 1 1 16 16 ARG HG2 H 1 1.580 0.02 . 2 . . . . 16 ARG HG2 . 18180 1 178 . 1 1 16 16 ARG HG3 H 1 1.729 0.02 . 2 . . . . 16 ARG HG3 . 18180 1 179 . 1 1 16 16 ARG HD2 H 1 3.047 0.02 . 2 . . . . 16 ARG HD2 . 18180 1 180 . 1 1 16 16 ARG HD3 H 1 3.038 0.02 . 2 . . . . 16 ARG HD3 . 18180 1 181 . 1 1 16 16 ARG HE H 1 7.557 0.02 . 1 . . . . 16 ARG HE . 18180 1 182 . 1 1 16 16 ARG C C 13 180.026 0.3 . 1 . . . . 16 ARG C . 18180 1 183 . 1 1 16 16 ARG CA C 13 60.442 0.3 . 1 . . . . 16 ARG CA . 18180 1 184 . 1 1 16 16 ARG CB C 13 28.183 0.3 . 1 . . . . 16 ARG CB . 18180 1 185 . 1 1 16 16 ARG CG C 13 28.263 0.3 . 1 . . . . 16 ARG CG . 18180 1 186 . 1 1 16 16 ARG CD C 13 43.100 0.3 . 1 . . . . 16 ARG CD . 18180 1 187 . 1 1 16 16 ARG N N 15 122.597 0.3 . 1 . . . . 16 ARG N . 18180 1 188 . 1 1 16 16 ARG NE N 15 89.243 0.3 . 1 . . . . 16 ARG NE . 18180 1 189 . 1 1 17 17 ASP H H 1 8.805 0.02 . 1 . . . . 17 ASP H . 18180 1 190 . 1 1 17 17 ASP HA H 1 4.414 0.02 . 1 . . . . 17 ASP HA . 18180 1 191 . 1 1 17 17 ASP HB2 H 1 2.887 0.02 . 2 . . . . 17 ASP HB2 . 18180 1 192 . 1 1 17 17 ASP HB3 H 1 2.724 0.02 . 2 . . . . 17 ASP HB3 . 18180 1 193 . 1 1 17 17 ASP C C 13 179.679 0.3 . 1 . . . . 17 ASP C . 18180 1 194 . 1 1 17 17 ASP CA C 13 57.997 0.3 . 1 . . . . 17 ASP CA . 18180 1 195 . 1 1 17 17 ASP CB C 13 39.828 0.3 . 1 . . . . 17 ASP CB . 18180 1 196 . 1 1 17 17 ASP N N 15 122.910 0.3 . 1 . . . . 17 ASP N . 18180 1 197 . 1 1 18 18 GLU H H 1 8.374 0.02 . 1 . . . . 18 GLU H . 18180 1 198 . 1 1 18 18 GLU HA H 1 4.134 0.02 . 1 . . . . 18 GLU HA . 18180 1 199 . 1 1 18 18 GLU HB2 H 1 2.112 0.02 . 2 . . . . 18 GLU HB2 . 18180 1 200 . 1 1 18 18 GLU HB3 H 1 2.193 0.02 . 2 . . . . 18 GLU HB3 . 18180 1 201 . 1 1 18 18 GLU HG2 H 1 2.366 0.02 . 2 . . . . 18 GLU HG2 . 18180 1 202 . 1 1 18 18 GLU HG3 H 1 2.374 0.02 . 2 . . . . 18 GLU HG3 . 18180 1 203 . 1 1 18 18 GLU C C 13 179.272 0.3 . 1 . . . . 18 GLU C . 18180 1 204 . 1 1 18 18 GLU CA C 13 59.272 0.3 . 1 . . . . 18 GLU CA . 18180 1 205 . 1 1 18 18 GLU CB C 13 29.332 0.3 . 1 . . . . 18 GLU CB . 18180 1 206 . 1 1 18 18 GLU CG C 13 36.101 0.3 . 1 . . . . 18 GLU CG . 18180 1 207 . 1 1 18 18 GLU N N 15 121.910 0.3 . 1 . . . . 18 GLU N . 18180 1 208 . 1 1 19 19 LYS H H 1 7.979 0.02 . 1 . . . . 19 LYS H . 18180 1 209 . 1 1 19 19 LYS HA H 1 4.287 0.02 . 1 . . . . 19 LYS HA . 18180 1 210 . 1 1 19 19 LYS HB2 H 1 1.714 0.02 . 2 . . . . 19 LYS HB2 . 18180 1 211 . 1 1 19 19 LYS HB3 H 1 2.042 0.02 . 2 . . . . 19 LYS HB3 . 18180 1 212 . 1 1 19 19 LYS HG2 H 1 1.278 0.02 . 2 . . . . 19 LYS HG2 . 18180 1 213 . 1 1 19 19 LYS HG3 H 1 1.494 0.02 . 2 . . . . 19 LYS HG3 . 18180 1 214 . 1 1 19 19 LYS HD2 H 1 1.632 0.02 . 2 . . . . 19 LYS HD2 . 18180 1 215 . 1 1 19 19 LYS HD3 H 1 1.610 0.02 . 2 . . . . 19 LYS HD3 . 18180 1 216 . 1 1 19 19 LYS HE2 H 1 2.926 0.02 . 2 . . . . 19 LYS HE2 . 18180 1 217 . 1 1 19 19 LYS HE3 H 1 2.930 0.02 . 2 . . . . 19 LYS HE3 . 18180 1 218 . 1 1 19 19 LYS C C 13 178.483 0.3 . 1 . . . . 19 LYS C . 18180 1 219 . 1 1 19 19 LYS CA C 13 59.910 0.3 . 1 . . . . 19 LYS CA . 18180 1 220 . 1 1 19 19 LYS CB C 13 32.078 0.3 . 1 . . . . 19 LYS CB . 18180 1 221 . 1 1 19 19 LYS CG C 13 25.901 0.3 . 1 . . . . 19 LYS CG . 18180 1 222 . 1 1 19 19 LYS CD C 13 28.841 0.3 . 1 . . . . 19 LYS CD . 18180 1 223 . 1 1 19 19 LYS CE C 13 41.800 0.3 . 1 . . . . 19 LYS CE . 18180 1 224 . 1 1 19 19 LYS N N 15 122.874 0.3 . 1 . . . . 19 LYS N . 18180 1 225 . 1 1 20 20 ASP H H 1 7.805 0.02 . 1 . . . . 20 ASP H . 18180 1 226 . 1 1 20 20 ASP HA H 1 4.623 0.02 . 1 . . . . 20 ASP HA . 18180 1 227 . 1 1 20 20 ASP HB2 H 1 2.812 0.02 . 2 . . . . 20 ASP HB2 . 18180 1 228 . 1 1 20 20 ASP HB3 H 1 3.031 0.02 . 2 . . . . 20 ASP HB3 . 18180 1 229 . 1 1 20 20 ASP C C 13 179.899 0.3 . 1 . . . . 20 ASP C . 18180 1 230 . 1 1 20 20 ASP CA C 13 58.061 0.3 . 1 . . . . 20 ASP CA . 18180 1 231 . 1 1 20 20 ASP CB C 13 40.326 0.3 . 1 . . . . 20 ASP CB . 18180 1 232 . 1 1 20 20 ASP N N 15 119.914 0.3 . 1 . . . . 20 ASP N . 18180 1 233 . 1 1 21 21 ARG H H 1 7.907 0.02 . 1 . . . . 21 ARG H . 18180 1 234 . 1 1 21 21 ARG HA H 1 4.158 0.02 . 1 . . . . 21 ARG HA . 18180 1 235 . 1 1 21 21 ARG HB2 H 1 2.032 0.02 . 2 . . . . 21 ARG HB2 . 18180 1 236 . 1 1 21 21 ARG HB3 H 1 2.032 0.02 . 2 . . . . 21 ARG HB3 . 18180 1 237 . 1 1 21 21 ARG HG2 H 1 1.820 0.02 . 2 . . . . 21 ARG HG2 . 18180 1 238 . 1 1 21 21 ARG HG3 H 1 1.634 0.02 . 2 . . . . 21 ARG HG3 . 18180 1 239 . 1 1 21 21 ARG HD2 H 1 3.282 0.02 . 2 . . . . 21 ARG HD2 . 18180 1 240 . 1 1 21 21 ARG HD3 H 1 3.282 0.02 . 2 . . . . 21 ARG HD3 . 18180 1 241 . 1 1 21 21 ARG HE H 1 7.627 0.02 . 1 . . . . 21 ARG HE . 18180 1 242 . 1 1 21 21 ARG C C 13 179.166 0.3 . 1 . . . . 21 ARG C . 18180 1 243 . 1 1 21 21 ARG CA C 13 59.983 0.3 . 1 . . . . 21 ARG CA . 18180 1 244 . 1 1 21 21 ARG CB C 13 29.898 0.3 . 1 . . . . 21 ARG CB . 18180 1 245 . 1 1 21 21 ARG CG C 13 27.627 0.3 . 1 . . . . 21 ARG CG . 18180 1 246 . 1 1 21 21 ARG CD C 13 43.502 0.3 . 1 . . . . 21 ARG CD . 18180 1 247 . 1 1 21 21 ARG N N 15 121.156 0.3 . 1 . . . . 21 ARG N . 18180 1 248 . 1 1 21 21 ARG NE N 15 84.509 0.3 . 1 . . . . 21 ARG NE . 18180 1 249 . 1 1 22 22 PHE H H 1 8.483 0.02 . 1 . . . . 22 PHE H . 18180 1 250 . 1 1 22 22 PHE HA H 1 4.413 0.02 . 1 . . . . 22 PHE HA . 18180 1 251 . 1 1 22 22 PHE HB2 H 1 3.372 0.02 . 2 . . . . 22 PHE HB2 . 18180 1 252 . 1 1 22 22 PHE HB3 H 1 3.572 0.02 . 2 . . . . 22 PHE HB3 . 18180 1 253 . 1 1 22 22 PHE HD1 H 1 7.184 0.02 . 3 . . . . 22 PHE HD1 . 18180 1 254 . 1 1 22 22 PHE HD2 H 1 7.183 0.02 . 3 . . . . 22 PHE HD2 . 18180 1 255 . 1 1 22 22 PHE HE1 H 1 6.650 0.02 . 3 . . . . 22 PHE HE1 . 18180 1 256 . 1 1 22 22 PHE HE2 H 1 6.650 0.02 . 3 . . . . 22 PHE HE2 . 18180 1 257 . 1 1 22 22 PHE HZ H 1 6.838 0.02 . 1 . . . . 22 PHE HZ . 18180 1 258 . 1 1 22 22 PHE C C 13 178.109 0.3 . 1 . . . . 22 PHE C . 18180 1 259 . 1 1 22 22 PHE CA C 13 60.989 0.3 . 1 . . . . 22 PHE CA . 18180 1 260 . 1 1 22 22 PHE CB C 13 39.118 0.3 . 1 . . . . 22 PHE CB . 18180 1 261 . 1 1 22 22 PHE CD1 C 13 132.038 0.3 . 3 . . . . 22 PHE CD1 . 18180 1 262 . 1 1 22 22 PHE CD2 C 13 132.047 0.3 . 3 . . . . 22 PHE CD2 . 18180 1 263 . 1 1 22 22 PHE CE1 C 13 130.572 0.3 . 3 . . . . 22 PHE CE1 . 18180 1 264 . 1 1 22 22 PHE CE2 C 13 130.572 0.3 . 3 . . . . 22 PHE CE2 . 18180 1 265 . 1 1 22 22 PHE CZ C 13 129.423 0.3 . 1 . . . . 22 PHE CZ . 18180 1 266 . 1 1 22 22 PHE N N 15 122.505 0.3 . 1 . . . . 22 PHE N . 18180 1 267 . 1 1 23 23 PHE H H 1 9.154 0.02 . 1 . . . . 23 PHE H . 18180 1 268 . 1 1 23 23 PHE HA H 1 3.910 0.02 . 1 . . . . 23 PHE HA . 18180 1 269 . 1 1 23 23 PHE HB2 H 1 3.387 0.02 . 2 . . . . 23 PHE HB2 . 18180 1 270 . 1 1 23 23 PHE HB3 H 1 1.948 0.02 . 2 . . . . 23 PHE HB3 . 18180 1 271 . 1 1 23 23 PHE HD1 H 1 6.888 0.02 . 3 . . . . 23 PHE HD1 . 18180 1 272 . 1 1 23 23 PHE HD2 H 1 6.886 0.02 . 3 . . . . 23 PHE HD2 . 18180 1 273 . 1 1 23 23 PHE HE1 H 1 6.470 0.02 . 3 . . . . 23 PHE HE1 . 18180 1 274 . 1 1 23 23 PHE HE2 H 1 6.470 0.02 . 3 . . . . 23 PHE HE2 . 18180 1 275 . 1 1 23 23 PHE HZ H 1 6.784 0.02 . 1 . . . . 23 PHE HZ . 18180 1 276 . 1 1 23 23 PHE C C 13 179.120 0.3 . 1 . . . . 23 PHE C . 18180 1 277 . 1 1 23 23 PHE CA C 13 59.188 0.3 . 1 . . . . 23 PHE CA . 18180 1 278 . 1 1 23 23 PHE CB C 13 38.966 0.3 . 1 . . . . 23 PHE CB . 18180 1 279 . 1 1 23 23 PHE CD1 C 13 129.713 0.3 . 3 . . . . 23 PHE CD1 . 18180 1 280 . 1 1 23 23 PHE CD2 C 13 129.724 0.3 . 3 . . . . 23 PHE CD2 . 18180 1 281 . 1 1 23 23 PHE CE1 C 13 130.864 0.3 . 3 . . . . 23 PHE CE1 . 18180 1 282 . 1 1 23 23 PHE CE2 C 13 130.864 0.3 . 3 . . . . 23 PHE CE2 . 18180 1 283 . 1 1 23 23 PHE CZ C 13 129.848 0.3 . 1 . . . . 23 PHE CZ . 18180 1 284 . 1 1 23 23 PHE N N 15 118.599 0.3 . 1 . . . . 23 PHE N . 18180 1 285 . 1 1 24 24 SER H H 1 8.140 0.02 . 1 . . . . 24 SER H . 18180 1 286 . 1 1 24 24 SER HA H 1 4.230 0.02 . 1 . . . . 24 SER HA . 18180 1 287 . 1 1 24 24 SER HB2 H 1 4.263 0.02 . 2 . . . . 24 SER HB2 . 18180 1 288 . 1 1 24 24 SER HB3 H 1 4.134 0.02 . 2 . . . . 24 SER HB3 . 18180 1 289 . 1 1 24 24 SER C C 13 176.234 0.3 . 1 . . . . 24 SER C . 18180 1 290 . 1 1 24 24 SER CA C 13 61.261 0.3 . 1 . . . . 24 SER CA . 18180 1 291 . 1 1 24 24 SER CB C 13 64.416 0.3 . 1 . . . . 24 SER CB . 18180 1 292 . 1 1 24 24 SER N N 15 111.357 0.3 . 1 . . . . 24 SER N . 18180 1 293 . 1 1 25 25 GLU H H 1 8.037 0.02 . 1 . . . . 25 GLU H . 18180 1 294 . 1 1 25 25 GLU HA H 1 4.502 0.02 . 1 . . . . 25 GLU HA . 18180 1 295 . 1 1 25 25 GLU HB2 H 1 2.016 0.02 . 2 . . . . 25 GLU HB2 . 18180 1 296 . 1 1 25 25 GLU HB3 H 1 2.016 0.02 . 2 . . . . 25 GLU HB3 . 18180 1 297 . 1 1 25 25 GLU HG2 H 1 2.374 0.02 . 2 . . . . 25 GLU HG2 . 18180 1 298 . 1 1 25 25 GLU HG3 H 1 2.301 0.02 . 2 . . . . 25 GLU HG3 . 18180 1 299 . 1 1 25 25 GLU C C 13 177.178 0.3 . 1 . . . . 25 GLU C . 18180 1 300 . 1 1 25 25 GLU CA C 13 57.048 0.3 . 1 . . . . 25 GLU CA . 18180 1 301 . 1 1 25 25 GLU CB C 13 33.030 0.3 . 1 . . . . 25 GLU CB . 18180 1 302 . 1 1 25 25 GLU CG C 13 36.010 0.3 . 1 . . . . 25 GLU CG . 18180 1 303 . 1 1 25 25 GLU N N 15 115.765 0.3 . 1 . . . . 25 GLU N . 18180 1 304 . 1 1 26 26 HIS H H 1 8.460 0.02 . 1 . . . . 26 HIS H . 18180 1 305 . 1 1 26 26 HIS HA H 1 4.209 0.02 . 1 . . . . 26 HIS HA . 18180 1 306 . 1 1 26 26 HIS HB2 H 1 2.705 0.02 . 2 . . . . 26 HIS HB2 . 18180 1 307 . 1 1 26 26 HIS HB3 H 1 2.025 0.02 . 2 . . . . 26 HIS HB3 . 18180 1 308 . 1 1 26 26 HIS HD2 H 1 7.085 0.02 . 1 . . . . 26 HIS HD2 . 18180 1 309 . 1 1 26 26 HIS HE1 H 1 7.741 0.02 . 1 . . . . 26 HIS HE1 . 18180 1 310 . 1 1 26 26 HIS C C 13 177.274 0.3 . 1 . . . . 26 HIS C . 18180 1 311 . 1 1 26 26 HIS CA C 13 58.822 0.3 . 1 . . . . 26 HIS CA . 18180 1 312 . 1 1 26 26 HIS CB C 13 32.841 0.3 . 1 . . . . 26 HIS CB . 18180 1 313 . 1 1 26 26 HIS CD2 C 13 118.376 0.3 . 1 . . . . 26 HIS CD2 . 18180 1 314 . 1 1 26 26 HIS CE1 C 13 137.068 0.3 . 1 . . . . 26 HIS CE1 . 18180 1 315 . 1 1 26 26 HIS N N 15 123.319 0.3 . 1 . . . . 26 HIS N . 18180 1 316 . 1 1 26 26 HIS ND1 N 15 250.728 0.3 . 1 . . . . 26 HIS ND1 . 18180 1 317 . 1 1 26 26 HIS NE2 N 15 165.385 0.3 . 1 . . . . 26 HIS NE2 . 18180 1 318 . 1 1 27 27 ARG H H 1 8.201 0.02 . 1 . . . . 27 ARG H . 18180 1 319 . 1 1 27 27 ARG HA H 1 4.042 0.02 . 1 . . . . 27 ARG HA . 18180 1 320 . 1 1 27 27 ARG HB2 H 1 1.808 0.02 . 2 . . . . 27 ARG HB2 . 18180 1 321 . 1 1 27 27 ARG HB3 H 1 1.702 0.02 . 2 . . . . 27 ARG HB3 . 18180 1 322 . 1 1 27 27 ARG HG2 H 1 1.589 0.02 . 2 . . . . 27 ARG HG2 . 18180 1 323 . 1 1 27 27 ARG HG3 H 1 1.588 0.02 . 2 . . . . 27 ARG HG3 . 18180 1 324 . 1 1 27 27 ARG HD2 H 1 3.170 0.02 . 2 . . . . 27 ARG HD2 . 18180 1 325 . 1 1 27 27 ARG HD3 H 1 3.170 0.02 . 2 . . . . 27 ARG HD3 . 18180 1 326 . 1 1 27 27 ARG C C 13 174.329 0.3 . 1 . . . . 27 ARG C . 18180 1 327 . 1 1 27 27 ARG CA C 13 58.800 0.3 . 1 . . . . 27 ARG CA . 18180 1 328 . 1 1 27 27 ARG CB C 13 29.843 0.3 . 1 . . . . 27 ARG CB . 18180 1 329 . 1 1 27 27 ARG CG C 13 27.223 0.3 . 1 . . . . 27 ARG CG . 18180 1 330 . 1 1 27 27 ARG CD C 13 43.072 0.3 . 1 . . . . 27 ARG CD . 18180 1 331 . 1 1 27 27 ARG N N 15 126.629 0.3 . 1 . . . . 27 ARG N . 18180 1 332 . 1 1 28 28 GLN H H 1 8.280 0.02 . 1 . . . . 28 GLN H . 18180 1 333 . 1 1 28 28 GLN HA H 1 4.412 0.02 . 1 . . . . 28 GLN HA . 18180 1 334 . 1 1 28 28 GLN HB2 H 1 2.558 0.02 . 2 . . . . 28 GLN HB2 . 18180 1 335 . 1 1 28 28 GLN HB3 H 1 2.235 0.02 . 2 . . . . 28 GLN HB3 . 18180 1 336 . 1 1 28 28 GLN HG2 H 1 2.508 0.02 . 2 . . . . 28 GLN HG2 . 18180 1 337 . 1 1 28 28 GLN HG3 H 1 2.508 0.02 . 2 . . . . 28 GLN HG3 . 18180 1 338 . 1 1 28 28 GLN HE21 H 1 7.645 0.02 . 2 . . . . 28 GLN HE21 . 18180 1 339 . 1 1 28 28 GLN HE22 H 1 6.967 0.02 . 2 . . . . 28 GLN HE22 . 18180 1 340 . 1 1 28 28 GLN C C 13 175.622 0.3 . 1 . . . . 28 GLN C . 18180 1 341 . 1 1 28 28 GLN CA C 13 55.620 0.3 . 1 . . . . 28 GLN CA . 18180 1 342 . 1 1 28 28 GLN CB C 13 27.919 0.3 . 1 . . . . 28 GLN CB . 18180 1 343 . 1 1 28 28 GLN CG C 13 35.202 0.3 . 1 . . . . 28 GLN CG . 18180 1 344 . 1 1 28 28 GLN N N 15 125.412 0.3 . 1 . . . . 28 GLN N . 18180 1 345 . 1 1 28 28 GLN NE2 N 15 111.856 0.3 . 1 . . . . 28 GLN NE2 . 18180 1 346 . 1 1 29 29 SER H H 1 7.273 0.02 . 1 . . . . 29 SER H . 18180 1 347 . 1 1 29 29 SER HA H 1 3.623 0.02 . 1 . . . . 29 SER HA . 18180 1 348 . 1 1 29 29 SER HB2 H 1 3.391 0.02 . 2 . . . . 29 SER HB2 . 18180 1 349 . 1 1 29 29 SER HB3 H 1 4.101 0.02 . 2 . . . . 29 SER HB3 . 18180 1 350 . 1 1 29 29 SER C C 13 174.279 0.3 . 1 . . . . 29 SER C . 18180 1 351 . 1 1 29 29 SER CA C 13 54.704 0.3 . 1 . . . . 29 SER CA . 18180 1 352 . 1 1 29 29 SER CB C 13 63.161 0.3 . 1 . . . . 29 SER CB . 18180 1 353 . 1 1 29 29 SER N N 15 115.250 0.3 . 1 . . . . 29 SER N . 18180 1 354 . 1 1 30 30 PRO HA H 1 4.362 0.02 . 1 . . . . 30 PRO HA . 18180 1 355 . 1 1 30 30 PRO HB2 H 1 1.368 0.02 . 2 . . . . 30 PRO HB2 . 18180 1 356 . 1 1 30 30 PRO HB3 H 1 1.242 0.02 . 2 . . . . 30 PRO HB3 . 18180 1 357 . 1 1 30 30 PRO HG2 H 1 0.103 0.02 . 2 . . . . 30 PRO HG2 . 18180 1 358 . 1 1 30 30 PRO HG3 H 1 -0.055 0.02 . 2 . . . . 30 PRO HG3 . 18180 1 359 . 1 1 30 30 PRO HD2 H 1 2.568 0.02 . 2 . . . . 30 PRO HD2 . 18180 1 360 . 1 1 30 30 PRO HD3 H 1 1.917 0.02 . 2 . . . . 30 PRO HD3 . 18180 1 361 . 1 1 30 30 PRO C C 13 176.613 0.3 . 1 . . . . 30 PRO C . 18180 1 362 . 1 1 30 30 PRO CA C 13 63.093 0.3 . 1 . . . . 30 PRO CA . 18180 1 363 . 1 1 30 30 PRO CB C 13 32.615 0.3 . 1 . . . . 30 PRO CB . 18180 1 364 . 1 1 30 30 PRO CG C 13 27.101 0.3 . 1 . . . . 30 PRO CG . 18180 1 365 . 1 1 30 30 PRO CD C 13 49.400 0.3 . 1 . . . . 30 PRO CD . 18180 1 366 . 1 1 31 31 ILE H H 1 7.410 0.02 . 1 . . . . 31 ILE H . 18180 1 367 . 1 1 31 31 ILE HA H 1 3.900 0.02 . 1 . . . . 31 ILE HA . 18180 1 368 . 1 1 31 31 ILE HB H 1 1.481 0.02 . 1 . . . . 31 ILE HB . 18180 1 369 . 1 1 31 31 ILE HG12 H 1 0.620 0.02 . 2 . . . . 31 ILE HG12 . 18180 1 370 . 1 1 31 31 ILE HG13 H 1 0.108 0.02 . 2 . . . . 31 ILE HG13 . 18180 1 371 . 1 1 31 31 ILE HG21 H 1 0.716 0.02 . 1 . . . . 31 ILE HG2 . 18180 1 372 . 1 1 31 31 ILE HG22 H 1 0.716 0.02 . 1 . . . . 31 ILE HG2 . 18180 1 373 . 1 1 31 31 ILE HG23 H 1 0.716 0.02 . 1 . . . . 31 ILE HG2 . 18180 1 374 . 1 1 31 31 ILE HD11 H 1 0.240 0.02 . 1 . . . . 31 ILE HD1 . 18180 1 375 . 1 1 31 31 ILE HD12 H 1 0.240 0.02 . 1 . . . . 31 ILE HD1 . 18180 1 376 . 1 1 31 31 ILE HD13 H 1 0.240 0.02 . 1 . . . . 31 ILE HD1 . 18180 1 377 . 1 1 31 31 ILE C C 13 174.507 0.3 . 1 . . . . 31 ILE C . 18180 1 378 . 1 1 31 31 ILE CA C 13 56.142 0.3 . 1 . . . . 31 ILE CA . 18180 1 379 . 1 1 31 31 ILE CB C 13 35.539 0.3 . 1 . . . . 31 ILE CB . 18180 1 380 . 1 1 31 31 ILE CG1 C 13 26.191 0.3 . 1 . . . . 31 ILE CG1 . 18180 1 381 . 1 1 31 31 ILE CG2 C 13 16.513 0.3 . 1 . . . . 31 ILE CG2 . 18180 1 382 . 1 1 31 31 ILE CD1 C 13 8.935 0.3 . 1 . . . . 31 ILE CD1 . 18180 1 383 . 1 1 31 31 ILE N N 15 121.538 0.3 . 1 . . . . 31 ILE N . 18180 1 384 . 1 1 32 32 PRO HG2 H 1 1.930 0.02 . 2 . . . . 32 PRO HG2 . 18180 1 385 . 1 1 32 32 PRO HG3 H 1 1.920 0.02 . 2 . . . . 32 PRO HG3 . 18180 1 386 . 1 1 32 32 PRO HD2 H 1 4.159 0.02 . 2 . . . . 32 PRO HD2 . 18180 1 387 . 1 1 32 32 PRO HD3 H 1 3.261 0.02 . 2 . . . . 32 PRO HD3 . 18180 1 388 . 1 1 32 32 PRO CG C 13 27.140 0.3 . 1 . . . . 32 PRO CG . 18180 1 389 . 1 1 32 32 PRO CD C 13 51.130 0.3 . 1 . . . . 32 PRO CD . 18180 1 390 . 1 1 33 33 PRO HA H 1 3.833 0.02 . 1 . . . . 33 PRO HA . 18180 1 391 . 1 1 33 33 PRO HB2 H 1 2.319 0.02 . 2 . . . . 33 PRO HB2 . 18180 1 392 . 1 1 33 33 PRO HB3 H 1 1.990 0.02 . 2 . . . . 33 PRO HB3 . 18180 1 393 . 1 1 33 33 PRO HG2 H 1 2.203 0.02 . 2 . . . . 33 PRO HG2 . 18180 1 394 . 1 1 33 33 PRO HG3 H 1 1.988 0.02 . 2 . . . . 33 PRO HG3 . 18180 1 395 . 1 1 33 33 PRO HD2 H 1 3.790 0.02 . 2 . . . . 33 PRO HD2 . 18180 1 396 . 1 1 33 33 PRO HD3 H 1 3.851 0.02 . 2 . . . . 33 PRO HD3 . 18180 1 397 . 1 1 33 33 PRO C C 13 179.601 0.3 . 1 . . . . 33 PRO C . 18180 1 398 . 1 1 33 33 PRO CA C 13 66.234 0.3 . 1 . . . . 33 PRO CA . 18180 1 399 . 1 1 33 33 PRO CB C 13 32.128 0.3 . 1 . . . . 33 PRO CB . 18180 1 400 . 1 1 33 33 PRO CG C 13 27.578 0.3 . 1 . . . . 33 PRO CG . 18180 1 401 . 1 1 33 33 PRO CD C 13 50.505 0.3 . 1 . . . . 33 PRO CD . 18180 1 402 . 1 1 34 34 GLU H H 1 9.726 0.02 . 1 . . . . 34 GLU H . 18180 1 403 . 1 1 34 34 GLU HA H 1 4.249 0.02 . 1 . . . . 34 GLU HA . 18180 1 404 . 1 1 34 34 GLU HB2 H 1 2.148 0.02 . 2 . . . . 34 GLU HB2 . 18180 1 405 . 1 1 34 34 GLU HB3 H 1 2.079 0.02 . 2 . . . . 34 GLU HB3 . 18180 1 406 . 1 1 34 34 GLU HG2 H 1 2.405 0.02 . 2 . . . . 34 GLU HG2 . 18180 1 407 . 1 1 34 34 GLU HG3 H 1 2.323 0.02 . 2 . . . . 34 GLU HG3 . 18180 1 408 . 1 1 34 34 GLU C C 13 177.180 0.3 . 1 . . . . 34 GLU C . 18180 1 409 . 1 1 34 34 GLU CA C 13 58.762 0.3 . 1 . . . . 34 GLU CA . 18180 1 410 . 1 1 34 34 GLU CB C 13 28.375 0.3 . 1 . . . . 34 GLU CB . 18180 1 411 . 1 1 34 34 GLU CG C 13 36.492 0.3 . 1 . . . . 34 GLU CG . 18180 1 412 . 1 1 34 34 GLU N N 15 116.281 0.3 . 1 . . . . 34 GLU N . 18180 1 413 . 1 1 35 35 GLU H H 1 8.203 0.02 . 1 . . . . 35 GLU H . 18180 1 414 . 1 1 35 35 GLU HA H 1 4.713 0.02 . 1 . . . . 35 GLU HA . 18180 1 415 . 1 1 35 35 GLU HB2 H 1 2.345 0.02 . 2 . . . . 35 GLU HB2 . 18180 1 416 . 1 1 35 35 GLU HB3 H 1 1.826 0.02 . 2 . . . . 35 GLU HB3 . 18180 1 417 . 1 1 35 35 GLU HG2 H 1 2.290 0.02 . 2 . . . . 35 GLU HG2 . 18180 1 418 . 1 1 35 35 GLU HG3 H 1 2.206 0.02 . 2 . . . . 35 GLU HG3 . 18180 1 419 . 1 1 35 35 GLU C C 13 178.216 0.3 . 1 . . . . 35 GLU C . 18180 1 420 . 1 1 35 35 GLU CA C 13 55.748 0.3 . 1 . . . . 35 GLU CA . 18180 1 421 . 1 1 35 35 GLU CB C 13 31.064 0.3 . 1 . . . . 35 GLU CB . 18180 1 422 . 1 1 35 35 GLU CG C 13 36.393 0.3 . 1 . . . . 35 GLU CG . 18180 1 423 . 1 1 35 35 GLU N N 15 118.029 0.3 . 1 . . . . 35 GLU N . 18180 1 424 . 1 1 36 36 ARG H H 1 7.370 0.02 . 1 . . . . 36 ARG H . 18180 1 425 . 1 1 36 36 ARG HA H 1 3.816 0.02 . 1 . . . . 36 ARG HA . 18180 1 426 . 1 1 36 36 ARG HB2 H 1 2.108 0.02 . 2 . . . . 36 ARG HB2 . 18180 1 427 . 1 1 36 36 ARG HB3 H 1 1.796 0.02 . 2 . . . . 36 ARG HB3 . 18180 1 428 . 1 1 36 36 ARG HG2 H 1 1.756 0.02 . 2 . . . . 36 ARG HG2 . 18180 1 429 . 1 1 36 36 ARG HG3 H 1 1.578 0.02 . 2 . . . . 36 ARG HG3 . 18180 1 430 . 1 1 36 36 ARG HD2 H 1 3.035 0.02 . 2 . . . . 36 ARG HD2 . 18180 1 431 . 1 1 36 36 ARG HD3 H 1 3.036 0.02 . 2 . . . . 36 ARG HD3 . 18180 1 432 . 1 1 36 36 ARG HE H 1 6.710 0.02 . 1 . . . . 36 ARG HE . 18180 1 433 . 1 1 36 36 ARG C C 13 178.443 0.3 . 1 . . . . 36 ARG C . 18180 1 434 . 1 1 36 36 ARG CA C 13 60.333 0.3 . 1 . . . . 36 ARG CA . 18180 1 435 . 1 1 36 36 ARG CB C 13 30.257 0.3 . 1 . . . . 36 ARG CB . 18180 1 436 . 1 1 36 36 ARG CG C 13 28.032 0.3 . 1 . . . . 36 ARG CG . 18180 1 437 . 1 1 36 36 ARG CD C 13 43.393 0.3 . 1 . . . . 36 ARG CD . 18180 1 438 . 1 1 36 36 ARG N N 15 120.871 0.3 . 1 . . . . 36 ARG N . 18180 1 439 . 1 1 36 36 ARG NE N 15 84.403 0.3 . 1 . . . . 36 ARG NE . 18180 1 440 . 1 1 37 37 ASP H H 1 8.645 0.02 . 1 . . . . 37 ASP H . 18180 1 441 . 1 1 37 37 ASP HA H 1 4.474 0.02 . 1 . . . . 37 ASP HA . 18180 1 442 . 1 1 37 37 ASP HB2 H 1 2.667 0.02 . 2 . . . . 37 ASP HB2 . 18180 1 443 . 1 1 37 37 ASP HB3 H 1 2.667 0.02 . 2 . . . . 37 ASP HB3 . 18180 1 444 . 1 1 37 37 ASP C C 13 177.491 0.3 . 1 . . . . 37 ASP C . 18180 1 445 . 1 1 37 37 ASP CA C 13 56.960 0.3 . 1 . . . . 37 ASP CA . 18180 1 446 . 1 1 37 37 ASP CB C 13 39.717 0.3 . 1 . . . . 37 ASP CB . 18180 1 447 . 1 1 37 37 ASP N N 15 118.227 0.3 . 1 . . . . 37 ASP N . 18180 1 448 . 1 1 38 38 ASP H H 1 7.600 0.02 . 1 . . . . 38 ASP H . 18180 1 449 . 1 1 38 38 ASP HA H 1 4.762 0.02 . 1 . . . . 38 ASP HA . 18180 1 450 . 1 1 38 38 ASP HB2 H 1 2.778 0.02 . 2 . . . . 38 ASP HB2 . 18180 1 451 . 1 1 38 38 ASP HB3 H 1 2.528 0.02 . 2 . . . . 38 ASP HB3 . 18180 1 452 . 1 1 38 38 ASP C C 13 175.875 0.3 . 1 . . . . 38 ASP C . 18180 1 453 . 1 1 38 38 ASP CA C 13 53.943 0.3 . 1 . . . . 38 ASP CA . 18180 1 454 . 1 1 38 38 ASP CB C 13 41.725 0.3 . 1 . . . . 38 ASP CB . 18180 1 455 . 1 1 38 38 ASP N N 15 117.045 0.3 . 1 . . . . 38 ASP N . 18180 1 456 . 1 1 39 39 PHE H H 1 7.478 0.02 . 1 . . . . 39 PHE H . 18180 1 457 . 1 1 39 39 PHE HA H 1 4.388 0.02 . 1 . . . . 39 PHE HA . 18180 1 458 . 1 1 39 39 PHE HB2 H 1 3.188 0.02 . 2 . . . . 39 PHE HB2 . 18180 1 459 . 1 1 39 39 PHE HB3 H 1 3.215 0.02 . 2 . . . . 39 PHE HB3 . 18180 1 460 . 1 1 39 39 PHE HD1 H 1 7.350 0.02 . 3 . . . . 39 PHE HD1 . 18180 1 461 . 1 1 39 39 PHE HD2 H 1 7.350 0.02 . 3 . . . . 39 PHE HD2 . 18180 1 462 . 1 1 39 39 PHE HE1 H 1 7.254 0.02 . 3 . . . . 39 PHE HE1 . 18180 1 463 . 1 1 39 39 PHE HE2 H 1 7.254 0.02 . 3 . . . . 39 PHE HE2 . 18180 1 464 . 1 1 39 39 PHE HZ H 1 7.254 0.02 . 1 . . . . 39 PHE HZ . 18180 1 465 . 1 1 39 39 PHE C C 13 175.631 0.3 . 1 . . . . 39 PHE C . 18180 1 466 . 1 1 39 39 PHE CA C 13 59.493 0.3 . 1 . . . . 39 PHE CA . 18180 1 467 . 1 1 39 39 PHE CB C 13 39.687 0.3 . 1 . . . . 39 PHE CB . 18180 1 468 . 1 1 39 39 PHE CD1 C 13 132.449 0.3 . 3 . . . . 39 PHE CD1 . 18180 1 469 . 1 1 39 39 PHE CD2 C 13 132.449 0.3 . 3 . . . . 39 PHE CD2 . 18180 1 470 . 1 1 39 39 PHE CE1 C 13 131.327 0.3 . 3 . . . . 39 PHE CE1 . 18180 1 471 . 1 1 39 39 PHE CE2 C 13 131.327 0.3 . 3 . . . . 39 PHE CE2 . 18180 1 472 . 1 1 39 39 PHE CZ C 13 129.877 0.3 . 1 . . . . 39 PHE CZ . 18180 1 473 . 1 1 39 39 PHE N N 15 121.839 0.3 . 1 . . . . 39 PHE N . 18180 1 474 . 1 1 40 40 ASP H H 1 8.396 0.02 . 1 . . . . 40 ASP H . 18180 1 475 . 1 1 40 40 ASP HA H 1 4.686 0.02 . 1 . . . . 40 ASP HA . 18180 1 476 . 1 1 40 40 ASP HB2 H 1 2.471 0.02 . 2 . . . . 40 ASP HB2 . 18180 1 477 . 1 1 40 40 ASP HB3 H 1 2.471 0.02 . 2 . . . . 40 ASP HB3 . 18180 1 478 . 1 1 40 40 ASP C C 13 175.673 0.3 . 1 . . . . 40 ASP C . 18180 1 479 . 1 1 40 40 ASP CA C 13 52.999 0.3 . 1 . . . . 40 ASP CA . 18180 1 480 . 1 1 40 40 ASP CB C 13 41.810 0.3 . 1 . . . . 40 ASP CB . 18180 1 481 . 1 1 40 40 ASP N N 15 128.333 0.3 . 1 . . . . 40 ASP N . 18180 1 482 . 1 1 41 41 GLY H H 1 4.590 0.02 . 1 . . . . 41 GLY H . 18180 1 483 . 1 1 41 41 GLY HA2 H 1 4.252 0.02 . 2 . . . . 41 GLY HA2 . 18180 1 484 . 1 1 41 41 GLY HA3 H 1 3.102 0.02 . 2 . . . . 41 GLY HA3 . 18180 1 485 . 1 1 41 41 GLY C C 13 173.965 0.3 . 1 . . . . 41 GLY C . 18180 1 486 . 1 1 41 41 GLY CA C 13 43.782 0.3 . 1 . . . . 41 GLY CA . 18180 1 487 . 1 1 41 41 GLY N N 15 104.299 0.3 . 1 . . . . 41 GLY N . 18180 1 488 . 1 1 42 42 LEU H H 1 9.221 0.02 . 1 . . . . 42 LEU H . 18180 1 489 . 1 1 42 42 LEU HA H 1 4.376 0.02 . 1 . . . . 42 LEU HA . 18180 1 490 . 1 1 42 42 LEU HB2 H 1 1.687 0.02 . 2 . . . . 42 LEU HB2 . 18180 1 491 . 1 1 42 42 LEU HB3 H 1 1.009 0.02 . 2 . . . . 42 LEU HB3 . 18180 1 492 . 1 1 42 42 LEU HG H 1 1.651 0.02 . 1 . . . . 42 LEU HG . 18180 1 493 . 1 1 42 42 LEU HD11 H 1 0.446 0.02 . 1 . . . . 42 LEU HD1 . 18180 1 494 . 1 1 42 42 LEU HD12 H 1 0.446 0.02 . 1 . . . . 42 LEU HD1 . 18180 1 495 . 1 1 42 42 LEU HD13 H 1 0.446 0.02 . 1 . . . . 42 LEU HD1 . 18180 1 496 . 1 1 42 42 LEU HD21 H 1 0.963 0.02 . 1 . . . . 42 LEU HD2 . 18180 1 497 . 1 1 42 42 LEU HD22 H 1 0.963 0.02 . 1 . . . . 42 LEU HD2 . 18180 1 498 . 1 1 42 42 LEU HD23 H 1 0.963 0.02 . 1 . . . . 42 LEU HD2 . 18180 1 499 . 1 1 42 42 LEU C C 13 176.643 0.3 . 1 . . . . 42 LEU C . 18180 1 500 . 1 1 42 42 LEU CA C 13 54.390 0.3 . 1 . . . . 42 LEU CA . 18180 1 501 . 1 1 42 42 LEU CB C 13 41.720 0.3 . 1 . . . . 42 LEU CB . 18180 1 502 . 1 1 42 42 LEU CG C 13 27.304 0.3 . 1 . . . . 42 LEU CG . 18180 1 503 . 1 1 42 42 LEU CD1 C 13 23.966 0.3 . 1 . . . . 42 LEU CD1 . 18180 1 504 . 1 1 42 42 LEU CD2 C 13 22.146 0.3 . 1 . . . . 42 LEU CD2 . 18180 1 505 . 1 1 42 42 LEU N N 15 122.302 0.3 . 1 . . . . 42 LEU N . 18180 1 506 . 1 1 43 43 SER H H 1 8.422 0.02 . 1 . . . . 43 SER H . 18180 1 507 . 1 1 43 43 SER HA H 1 4.732 0.02 . 1 . . . . 43 SER HA . 18180 1 508 . 1 1 43 43 SER HB2 H 1 3.479 0.02 . 2 . . . . 43 SER HB2 . 18180 1 509 . 1 1 43 43 SER HB3 H 1 3.391 0.02 . 2 . . . . 43 SER HB3 . 18180 1 510 . 1 1 43 43 SER C C 13 173.301 0.3 . 1 . . . . 43 SER C . 18180 1 511 . 1 1 43 43 SER CA C 13 57.684 0.3 . 1 . . . . 43 SER CA . 18180 1 512 . 1 1 43 43 SER CB C 13 64.920 0.3 . 1 . . . . 43 SER CB . 18180 1 513 . 1 1 43 43 SER N N 15 115.518 0.3 . 1 . . . . 43 SER N . 18180 1 514 . 1 1 44 44 TYR H H 1 8.730 0.02 . 1 . . . . 44 TYR H . 18180 1 515 . 1 1 44 44 TYR HA H 1 4.915 0.02 . 1 . . . . 44 TYR HA . 18180 1 516 . 1 1 44 44 TYR HB2 H 1 2.377 0.02 . 2 . . . . 44 TYR HB2 . 18180 1 517 . 1 1 44 44 TYR HB3 H 1 3.241 0.02 . 2 . . . . 44 TYR HB3 . 18180 1 518 . 1 1 44 44 TYR HD1 H 1 6.909 0.02 . 3 . . . . 44 TYR HD1 . 18180 1 519 . 1 1 44 44 TYR HD2 H 1 6.909 0.02 . 3 . . . . 44 TYR HD2 . 18180 1 520 . 1 1 44 44 TYR C C 13 178.880 0.3 . 1 . . . . 44 TYR C . 18180 1 521 . 1 1 44 44 TYR CA C 13 58.060 0.3 . 1 . . . . 44 TYR CA . 18180 1 522 . 1 1 44 44 TYR CB C 13 43.889 0.3 . 1 . . . . 44 TYR CB . 18180 1 523 . 1 1 44 44 TYR N N 15 119.669 0.3 . 1 . . . . 44 TYR N . 18180 1 524 . 1 1 45 45 PHE H H 1 8.779 0.02 . 1 . . . . 45 PHE H . 18180 1 525 . 1 1 45 45 PHE HA H 1 4.643 0.02 . 1 . . . . 45 PHE HA . 18180 1 526 . 1 1 45 45 PHE HB2 H 1 2.788 0.02 . 2 . . . . 45 PHE HB2 . 18180 1 527 . 1 1 45 45 PHE HB3 H 1 3.315 0.02 . 2 . . . . 45 PHE HB3 . 18180 1 528 . 1 1 45 45 PHE HD1 H 1 7.201 0.02 . 3 . . . . 45 PHE HD1 . 18180 1 529 . 1 1 45 45 PHE HD2 H 1 7.201 0.02 . 3 . . . . 45 PHE HD2 . 18180 1 530 . 1 1 45 45 PHE HE1 H 1 7.333 0.02 . 3 . . . . 45 PHE HE1 . 18180 1 531 . 1 1 45 45 PHE HE2 H 1 7.332 0.02 . 3 . . . . 45 PHE HE2 . 18180 1 532 . 1 1 45 45 PHE HZ H 1 7.155 0.02 . 1 . . . . 45 PHE HZ . 18180 1 533 . 1 1 45 45 PHE C C 13 177.098 0.3 . 1 . . . . 45 PHE C . 18180 1 534 . 1 1 45 45 PHE CA C 13 59.320 0.3 . 1 . . . . 45 PHE CA . 18180 1 535 . 1 1 45 45 PHE CB C 13 39.925 0.3 . 1 . . . . 45 PHE CB . 18180 1 536 . 1 1 45 45 PHE CD1 C 13 131.990 0.3 . 3 . . . . 45 PHE CD1 . 18180 1 537 . 1 1 45 45 PHE CD2 C 13 131.990 0.3 . 3 . . . . 45 PHE CD2 . 18180 1 538 . 1 1 45 45 PHE CE1 C 13 131.432 0.3 . 3 . . . . 45 PHE CE1 . 18180 1 539 . 1 1 45 45 PHE CE2 C 13 131.423 0.3 . 3 . . . . 45 PHE CE2 . 18180 1 540 . 1 1 45 45 PHE CZ C 13 129.638 0.3 . 1 . . . . 45 PHE CZ . 18180 1 541 . 1 1 45 45 PHE N N 15 120.180 0.3 . 1 . . . . 45 PHE N . 18180 1 542 . 1 1 46 46 ASP H H 1 9.226 0.02 . 1 . . . . 46 ASP H . 18180 1 543 . 1 1 46 46 ASP HA H 1 4.757 0.02 . 1 . . . . 46 ASP HA . 18180 1 544 . 1 1 46 46 ASP HB2 H 1 2.797 0.02 . 2 . . . . 46 ASP HB2 . 18180 1 545 . 1 1 46 46 ASP HB3 H 1 2.570 0.02 . 2 . . . . 46 ASP HB3 . 18180 1 546 . 1 1 46 46 ASP C C 13 175.738 0.3 . 1 . . . . 46 ASP C . 18180 1 547 . 1 1 46 46 ASP CA C 13 53.881 0.3 . 1 . . . . 46 ASP CA . 18180 1 548 . 1 1 46 46 ASP CB C 13 38.700 0.3 . 1 . . . . 46 ASP CB . 18180 1 549 . 1 1 46 46 ASP N N 15 124.974 0.3 . 1 . . . . 46 ASP N . 18180 1 550 . 1 1 47 47 PRO HA H 1 4.705 0.02 . 1 . . . . 47 PRO HA . 18180 1 551 . 1 1 47 47 PRO HB2 H 1 2.047 0.02 . 2 . . . . 47 PRO HB2 . 18180 1 552 . 1 1 47 47 PRO HB3 H 1 1.760 0.02 . 2 . . . . 47 PRO HB3 . 18180 1 553 . 1 1 47 47 PRO HG2 H 1 1.991 0.02 . 2 . . . . 47 PRO HG2 . 18180 1 554 . 1 1 47 47 PRO HG3 H 1 1.980 0.02 . 2 . . . . 47 PRO HG3 . 18180 1 555 . 1 1 47 47 PRO HD2 H 1 3.679 0.02 . 2 . . . . 47 PRO HD2 . 18180 1 556 . 1 1 47 47 PRO HD3 H 1 3.882 0.02 . 2 . . . . 47 PRO HD3 . 18180 1 557 . 1 1 47 47 PRO C C 13 176.500 0.3 . 1 . . . . 47 PRO C . 18180 1 558 . 1 1 47 47 PRO CA C 13 62.418 0.3 . 1 . . . . 47 PRO CA . 18180 1 559 . 1 1 47 47 PRO CB C 13 33.078 0.3 . 1 . . . . 47 PRO CB . 18180 1 560 . 1 1 47 47 PRO CG C 13 27.432 0.3 . 1 . . . . 47 PRO CG . 18180 1 561 . 1 1 47 47 PRO CD C 13 50.523 0.3 . 1 . . . . 47 PRO CD . 18180 1 562 . 1 1 48 48 ASP H H 1 9.361 0.02 . 1 . . . . 48 ASP H . 18180 1 563 . 1 1 48 48 ASP HA H 1 5.011 0.02 . 1 . . . . 48 ASP HA . 18180 1 564 . 1 1 48 48 ASP HB2 H 1 1.643 0.02 . 2 . . . . 48 ASP HB2 . 18180 1 565 . 1 1 48 48 ASP HB3 H 1 1.569 0.02 . 2 . . . . 48 ASP HB3 . 18180 1 566 . 1 1 48 48 ASP C C 13 175.515 0.3 . 1 . . . . 48 ASP C . 18180 1 567 . 1 1 48 48 ASP CA C 13 51.994 0.3 . 1 . . . . 48 ASP CA . 18180 1 568 . 1 1 48 48 ASP CB C 13 40.978 0.3 . 1 . . . . 48 ASP CB . 18180 1 569 . 1 1 48 48 ASP N N 15 124.882 0.3 . 1 . . . . 48 ASP N . 18180 1 570 . 1 1 49 49 PRO HA H 1 3.667 0.02 . 1 . . . . 49 PRO HA . 18180 1 571 . 1 1 49 49 PRO HB2 H 1 1.929 0.02 . 2 . . . . 49 PRO HB2 . 18180 1 572 . 1 1 49 49 PRO HB3 H 1 1.934 0.02 . 2 . . . . 49 PRO HB3 . 18180 1 573 . 1 1 49 49 PRO HG2 H 1 2.127 0.02 . 2 . . . . 49 PRO HG2 . 18180 1 574 . 1 1 49 49 PRO HG3 H 1 1.997 0.02 . 2 . . . . 49 PRO HG3 . 18180 1 575 . 1 1 49 49 PRO HD2 H 1 3.905 0.02 . 2 . . . . 49 PRO HD2 . 18180 1 576 . 1 1 49 49 PRO HD3 H 1 3.910 0.02 . 2 . . . . 49 PRO HD3 . 18180 1 577 . 1 1 49 49 PRO C C 13 177.938 0.3 . 1 . . . . 49 PRO C . 18180 1 578 . 1 1 49 49 PRO CA C 13 64.420 0.3 . 1 . . . . 49 PRO CA . 18180 1 579 . 1 1 49 49 PRO CB C 13 31.742 0.3 . 1 . . . . 49 PRO CB . 18180 1 580 . 1 1 49 49 PRO CG C 13 27.258 0.3 . 1 . . . . 49 PRO CG . 18180 1 581 . 1 1 49 49 PRO CD C 13 50.532 0.3 . 1 . . . . 49 PRO CD . 18180 1 582 . 1 1 50 50 ASP H H 1 8.633 0.02 . 1 . . . . 50 ASP H . 18180 1 583 . 1 1 50 50 ASP HA H 1 4.378 0.02 . 1 . . . . 50 ASP HA . 18180 1 584 . 1 1 50 50 ASP HB2 H 1 2.510 0.02 . 2 . . . . 50 ASP HB2 . 18180 1 585 . 1 1 50 50 ASP HB3 H 1 2.358 0.02 . 2 . . . . 50 ASP HB3 . 18180 1 586 . 1 1 50 50 ASP C C 13 177.023 0.3 . 1 . . . . 50 ASP C . 18180 1 587 . 1 1 50 50 ASP CA C 13 56.152 0.3 . 1 . . . . 50 ASP CA . 18180 1 588 . 1 1 50 50 ASP CB C 13 39.530 0.3 . 1 . . . . 50 ASP CB . 18180 1 589 . 1 1 50 50 ASP N N 15 119.927 0.3 . 1 . . . . 50 ASP N . 18180 1 590 . 1 1 51 51 TYR H H 1 7.513 0.02 . 1 . . . . 51 TYR H . 18180 1 591 . 1 1 51 51 TYR HA H 1 4.298 0.02 . 1 . . . . 51 TYR HA . 18180 1 592 . 1 1 51 51 TYR HB2 H 1 3.482 0.02 . 2 . . . . 51 TYR HB2 . 18180 1 593 . 1 1 51 51 TYR HB3 H 1 2.482 0.02 . 2 . . . . 51 TYR HB3 . 18180 1 594 . 1 1 51 51 TYR HD1 H 1 6.745 0.02 . 3 . . . . 51 TYR HD1 . 18180 1 595 . 1 1 51 51 TYR HD2 H 1 6.744 0.02 . 3 . . . . 51 TYR HD2 . 18180 1 596 . 1 1 51 51 TYR HE1 H 1 6.702 0.02 . 3 . . . . 51 TYR HE1 . 18180 1 597 . 1 1 51 51 TYR HE2 H 1 6.702 0.02 . 3 . . . . 51 TYR HE2 . 18180 1 598 . 1 1 51 51 TYR C C 13 173.069 0.3 . 1 . . . . 51 TYR C . 18180 1 599 . 1 1 51 51 TYR CA C 13 59.446 0.3 . 1 . . . . 51 TYR CA . 18180 1 600 . 1 1 51 51 TYR CB C 13 38.686 0.3 . 1 . . . . 51 TYR CB . 18180 1 601 . 1 1 51 51 TYR CD1 C 13 132.313 0.3 . 3 . . . . 51 TYR CD1 . 18180 1 602 . 1 1 51 51 TYR CD2 C 13 132.315 0.3 . 3 . . . . 51 TYR CD2 . 18180 1 603 . 1 1 51 51 TYR CE1 C 13 118.823 0.3 . 3 . . . . 51 TYR CE1 . 18180 1 604 . 1 1 51 51 TYR CE2 C 13 118.823 0.3 . 3 . . . . 51 TYR CE2 . 18180 1 605 . 1 1 51 51 TYR N N 15 114.303 0.3 . 1 . . . . 51 TYR N . 18180 1 606 . 1 1 52 52 ARG H H 1 7.197 0.02 . 1 . . . . 52 ARG H . 18180 1 607 . 1 1 52 52 ARG HA H 1 4.867 0.02 . 1 . . . . 52 ARG HA . 18180 1 608 . 1 1 52 52 ARG HB2 H 1 1.692 0.02 . 2 . . . . 52 ARG HB2 . 18180 1 609 . 1 1 52 52 ARG HB3 H 1 1.323 0.02 . 2 . . . . 52 ARG HB3 . 18180 1 610 . 1 1 52 52 ARG HG2 H 1 1.153 0.02 . 2 . . . . 52 ARG HG2 . 18180 1 611 . 1 1 52 52 ARG HG3 H 1 1.066 0.02 . 2 . . . . 52 ARG HG3 . 18180 1 612 . 1 1 52 52 ARG HD2 H 1 2.335 0.02 . 2 . . . . 52 ARG HD2 . 18180 1 613 . 1 1 52 52 ARG HD3 H 1 2.197 0.02 . 2 . . . . 52 ARG HD3 . 18180 1 614 . 1 1 52 52 ARG HE H 1 6.872 0.02 . 1 . . . . 52 ARG HE . 18180 1 615 . 1 1 52 52 ARG C C 13 175.113 0.3 . 1 . . . . 52 ARG C . 18180 1 616 . 1 1 52 52 ARG CA C 13 55.639 0.3 . 1 . . . . 52 ARG CA . 18180 1 617 . 1 1 52 52 ARG CB C 13 29.868 0.3 . 1 . . . . 52 ARG CB . 18180 1 618 . 1 1 52 52 ARG CG C 13 27.222 0.3 . 1 . . . . 52 ARG CG . 18180 1 619 . 1 1 52 52 ARG CD C 13 42.764 0.3 . 1 . . . . 52 ARG CD . 18180 1 620 . 1 1 52 52 ARG N N 15 122.489 0.3 . 1 . . . . 52 ARG N . 18180 1 621 . 1 1 52 52 ARG NE N 15 84.212 0.3 . 1 . . . . 52 ARG NE . 18180 1 622 . 1 1 53 53 VAL H H 1 8.465 0.02 . 1 . . . . 53 VAL H . 18180 1 623 . 1 1 53 53 VAL HA H 1 4.718 0.02 . 1 . . . . 53 VAL HA . 18180 1 624 . 1 1 53 53 VAL HB H 1 2.364 0.02 . 1 . . . . 53 VAL HB . 18180 1 625 . 1 1 53 53 VAL HG11 H 1 0.992 0.02 . 1 . . . . 53 VAL HG1 . 18180 1 626 . 1 1 53 53 VAL HG12 H 1 0.992 0.02 . 1 . . . . 53 VAL HG1 . 18180 1 627 . 1 1 53 53 VAL HG13 H 1 0.992 0.02 . 1 . . . . 53 VAL HG1 . 18180 1 628 . 1 1 53 53 VAL HG21 H 1 0.838 0.02 . 1 . . . . 53 VAL HG2 . 18180 1 629 . 1 1 53 53 VAL HG22 H 1 0.838 0.02 . 1 . . . . 53 VAL HG2 . 18180 1 630 . 1 1 53 53 VAL HG23 H 1 0.838 0.02 . 1 . . . . 53 VAL HG2 . 18180 1 631 . 1 1 53 53 VAL C C 13 174.428 0.3 . 1 . . . . 53 VAL C . 18180 1 632 . 1 1 53 53 VAL CA C 13 59.062 0.3 . 1 . . . . 53 VAL CA . 18180 1 633 . 1 1 53 53 VAL CB C 13 35.154 0.3 . 1 . . . . 53 VAL CB . 18180 1 634 . 1 1 53 53 VAL CG1 C 13 22.018 0.3 . 1 . . . . 53 VAL CG1 . 18180 1 635 . 1 1 53 53 VAL CG2 C 13 19.413 0.3 . 1 . . . . 53 VAL CG2 . 18180 1 636 . 1 1 53 53 VAL N N 15 119.687 0.3 . 1 . . . . 53 VAL N . 18180 1 637 . 1 1 54 54 GLU H H 1 8.517 0.02 . 1 . . . . 54 GLU H . 18180 1 638 . 1 1 54 54 GLU HA H 1 4.622 0.02 . 1 . . . . 54 GLU HA . 18180 1 639 . 1 1 54 54 GLU HB2 H 1 1.907 0.02 . 2 . . . . 54 GLU HB2 . 18180 1 640 . 1 1 54 54 GLU HB3 H 1 1.859 0.02 . 2 . . . . 54 GLU HB3 . 18180 1 641 . 1 1 54 54 GLU HG2 H 1 2.170 0.02 . 2 . . . . 54 GLU HG2 . 18180 1 642 . 1 1 54 54 GLU HG3 H 1 2.144 0.02 . 2 . . . . 54 GLU HG3 . 18180 1 643 . 1 1 54 54 GLU C C 13 175.984 0.3 . 1 . . . . 54 GLU C . 18180 1 644 . 1 1 54 54 GLU CA C 13 55.388 0.3 . 1 . . . . 54 GLU CA . 18180 1 645 . 1 1 54 54 GLU CB C 13 29.950 0.3 . 1 . . . . 54 GLU CB . 18180 1 646 . 1 1 54 54 GLU CG C 13 36.010 0.3 . 1 . . . . 54 GLU CG . 18180 1 647 . 1 1 54 54 GLU N N 15 121.351 0.3 . 1 . . . . 54 GLU N . 18180 1 648 . 1 1 55 55 ALA H H 1 9.305 0.02 . 1 . . . . 55 ALA H . 18180 1 649 . 1 1 55 55 ALA HA H 1 5.366 0.02 . 1 . . . . 55 ALA HA . 18180 1 650 . 1 1 55 55 ALA HB1 H 1 1.202 0.02 . 1 . . . . 55 ALA HB . 18180 1 651 . 1 1 55 55 ALA HB2 H 1 1.202 0.02 . 1 . . . . 55 ALA HB . 18180 1 652 . 1 1 55 55 ALA HB3 H 1 1.202 0.02 . 1 . . . . 55 ALA HB . 18180 1 653 . 1 1 55 55 ALA C C 13 176.686 0.3 . 1 . . . . 55 ALA C . 18180 1 654 . 1 1 55 55 ALA CA C 13 49.689 0.3 . 1 . . . . 55 ALA CA . 18180 1 655 . 1 1 55 55 ALA CB C 13 22.191 0.3 . 1 . . . . 55 ALA CB . 18180 1 656 . 1 1 55 55 ALA N N 15 128.329 0.3 . 1 . . . . 55 ALA N . 18180 1 657 . 1 1 56 56 THR H H 1 9.460 0.02 . 1 . . . . 56 THR H . 18180 1 658 . 1 1 56 56 THR HA H 1 4.898 0.02 . 1 . . . . 56 THR HA . 18180 1 659 . 1 1 56 56 THR HB H 1 3.948 0.02 . 1 . . . . 56 THR HB . 18180 1 660 . 1 1 56 56 THR HG21 H 1 1.175 0.02 . 1 . . . . 56 THR HG2 . 18180 1 661 . 1 1 56 56 THR HG22 H 1 1.175 0.02 . 1 . . . . 56 THR HG2 . 18180 1 662 . 1 1 56 56 THR HG23 H 1 1.175 0.02 . 1 . . . . 56 THR HG2 . 18180 1 663 . 1 1 56 56 THR C C 13 175.842 0.3 . 1 . . . . 56 THR C . 18180 1 664 . 1 1 56 56 THR CA C 13 62.379 0.3 . 1 . . . . 56 THR CA . 18180 1 665 . 1 1 56 56 THR CB C 13 70.175 0.3 . 1 . . . . 56 THR CB . 18180 1 666 . 1 1 56 56 THR CG2 C 13 21.644 0.3 . 1 . . . . 56 THR CG2 . 18180 1 667 . 1 1 56 56 THR N N 15 116.876 0.3 . 1 . . . . 56 THR N . 18180 1 668 . 1 1 57 57 VAL H H 1 9.275 0.02 . 1 . . . . 57 VAL H . 18180 1 669 . 1 1 57 57 VAL HA H 1 4.380 0.02 . 1 . . . . 57 VAL HA . 18180 1 670 . 1 1 57 57 VAL HB H 1 1.989 0.02 . 1 . . . . 57 VAL HB . 18180 1 671 . 1 1 57 57 VAL HG11 H 1 0.680 0.02 . 1 . . . . 57 VAL HG1 . 18180 1 672 . 1 1 57 57 VAL HG12 H 1 0.680 0.02 . 1 . . . . 57 VAL HG1 . 18180 1 673 . 1 1 57 57 VAL HG13 H 1 0.680 0.02 . 1 . . . . 57 VAL HG1 . 18180 1 674 . 1 1 57 57 VAL HG21 H 1 0.758 0.02 . 1 . . . . 57 VAL HG2 . 18180 1 675 . 1 1 57 57 VAL HG22 H 1 0.758 0.02 . 1 . . . . 57 VAL HG2 . 18180 1 676 . 1 1 57 57 VAL HG23 H 1 0.758 0.02 . 1 . . . . 57 VAL HG2 . 18180 1 677 . 1 1 57 57 VAL C C 13 175.698 0.3 . 1 . . . . 57 VAL C . 18180 1 678 . 1 1 57 57 VAL CA C 13 62.457 0.3 . 1 . . . . 57 VAL CA . 18180 1 679 . 1 1 57 57 VAL CB C 13 33.743 0.3 . 1 . . . . 57 VAL CB . 18180 1 680 . 1 1 57 57 VAL CG1 C 13 22.260 0.3 . 1 . . . . 57 VAL CG1 . 18180 1 681 . 1 1 57 57 VAL CG2 C 13 22.072 0.3 . 1 . . . . 57 VAL CG2 . 18180 1 682 . 1 1 57 57 VAL N N 15 128.202 0.3 . 1 . . . . 57 VAL N . 18180 1 683 . 1 1 58 58 THR H H 1 8.901 0.02 . 1 . . . . 58 THR H . 18180 1 684 . 1 1 58 58 THR HA H 1 4.370 0.02 . 1 . . . . 58 THR HA . 18180 1 685 . 1 1 58 58 THR HB H 1 3.761 0.02 . 1 . . . . 58 THR HB . 18180 1 686 . 1 1 58 58 THR HG21 H 1 0.956 0.02 . 1 . . . . 58 THR HG2 . 18180 1 687 . 1 1 58 58 THR HG22 H 1 0.956 0.02 . 1 . . . . 58 THR HG2 . 18180 1 688 . 1 1 58 58 THR HG23 H 1 0.956 0.02 . 1 . . . . 58 THR HG2 . 18180 1 689 . 1 1 58 58 THR C C 13 173.897 0.3 . 1 . . . . 58 THR C . 18180 1 690 . 1 1 58 58 THR CA C 13 62.643 0.3 . 1 . . . . 58 THR CA . 18180 1 691 . 1 1 58 58 THR CB C 13 70.128 0.3 . 1 . . . . 58 THR CB . 18180 1 692 . 1 1 58 58 THR CG2 C 13 20.960 0.3 . 1 . . . . 58 THR CG2 . 18180 1 693 . 1 1 58 58 THR N N 15 124.644 0.3 . 1 . . . . 58 THR N . 18180 1 694 . 1 1 59 59 VAL H H 1 9.305 0.02 . 1 . . . . 59 VAL H . 18180 1 695 . 1 1 59 59 VAL HA H 1 3.675 0.02 . 1 . . . . 59 VAL HA . 18180 1 696 . 1 1 59 59 VAL HB H 1 1.933 0.02 . 1 . . . . 59 VAL HB . 18180 1 697 . 1 1 59 59 VAL HG11 H 1 0.757 0.02 . 1 . . . . 59 VAL HG1 . 18180 1 698 . 1 1 59 59 VAL HG12 H 1 0.757 0.02 . 1 . . . . 59 VAL HG1 . 18180 1 699 . 1 1 59 59 VAL HG13 H 1 0.757 0.02 . 1 . . . . 59 VAL HG1 . 18180 1 700 . 1 1 59 59 VAL HG21 H 1 0.598 0.02 . 1 . . . . 59 VAL HG2 . 18180 1 701 . 1 1 59 59 VAL HG22 H 1 0.598 0.02 . 1 . . . . 59 VAL HG2 . 18180 1 702 . 1 1 59 59 VAL HG23 H 1 0.598 0.02 . 1 . . . . 59 VAL HG2 . 18180 1 703 . 1 1 59 59 VAL C C 13 175.162 0.3 . 1 . . . . 59 VAL C . 18180 1 704 . 1 1 59 59 VAL CA C 13 62.318 0.3 . 1 . . . . 59 VAL CA . 18180 1 705 . 1 1 59 59 VAL CB C 13 32.462 0.3 . 1 . . . . 59 VAL CB . 18180 1 706 . 1 1 59 59 VAL CG1 C 13 21.346 0.3 . 1 . . . . 59 VAL CG1 . 18180 1 707 . 1 1 59 59 VAL CG2 C 13 21.852 0.3 . 1 . . . . 59 VAL CG2 . 18180 1 708 . 1 1 59 59 VAL N N 15 127.620 0.3 . 1 . . . . 59 VAL N . 18180 1 709 . 1 1 60 60 HIS H H 1 7.691 0.02 . 1 . . . . 60 HIS H . 18180 1 710 . 1 1 60 60 HIS HA H 1 4.751 0.02 . 1 . . . . 60 HIS HA . 18180 1 711 . 1 1 60 60 HIS HB2 H 1 2.889 0.02 . 2 . . . . 60 HIS HB2 . 18180 1 712 . 1 1 60 60 HIS HB3 H 1 2.724 0.02 . 2 . . . . 60 HIS HB3 . 18180 1 713 . 1 1 60 60 HIS HD2 H 1 7.080 0.02 . 1 . . . . 60 HIS HD2 . 18180 1 714 . 1 1 60 60 HIS HE1 H 1 7.520 0.02 . 1 . . . . 60 HIS HE1 . 18180 1 715 . 1 1 60 60 HIS C C 13 174.598 0.3 . 1 . . . . 60 HIS C . 18180 1 716 . 1 1 60 60 HIS CA C 13 54.194 0.3 . 1 . . . . 60 HIS CA . 18180 1 717 . 1 1 60 60 HIS CB C 13 27.712 0.3 . 1 . . . . 60 HIS CB . 18180 1 718 . 1 1 60 60 HIS CD2 C 13 119.840 0.3 . 1 . . . . 60 HIS CD2 . 18180 1 719 . 1 1 60 60 HIS CE1 C 13 138.622 0.3 . 1 . . . . 60 HIS CE1 . 18180 1 720 . 1 1 60 60 HIS N N 15 129.139 0.3 . 1 . . . . 60 HIS N . 18180 1 721 . 1 1 61 61 GLU H H 1 9.111 0.02 . 1 . . . . 61 GLU H . 18180 1 722 . 1 1 61 61 GLU HA H 1 3.951 0.02 . 1 . . . . 61 GLU HA . 18180 1 723 . 1 1 61 61 GLU HB2 H 1 2.057 0.02 . 2 . . . . 61 GLU HB2 . 18180 1 724 . 1 1 61 61 GLU HB3 H 1 2.114 0.02 . 2 . . . . 61 GLU HB3 . 18180 1 725 . 1 1 61 61 GLU HG2 H 1 2.514 0.02 . 2 . . . . 61 GLU HG2 . 18180 1 726 . 1 1 61 61 GLU HG3 H 1 2.309 0.02 . 2 . . . . 61 GLU HG3 . 18180 1 727 . 1 1 61 61 GLU C C 13 177.857 0.3 . 1 . . . . 61 GLU C . 18180 1 728 . 1 1 61 61 GLU CA C 13 60.093 0.3 . 1 . . . . 61 GLU CA . 18180 1 729 . 1 1 61 61 GLU CB C 13 28.201 0.3 . 1 . . . . 61 GLU CB . 18180 1 730 . 1 1 61 61 GLU CG C 13 36.433 0.3 . 1 . . . . 61 GLU CG . 18180 1 731 . 1 1 61 61 GLU N N 15 125.471 0.3 . 1 . . . . 61 GLU N . 18180 1 732 . 1 1 62 62 THR H H 1 8.340 0.02 . 1 . . . . 62 THR H . 18180 1 733 . 1 1 62 62 THR HA H 1 4.645 0.02 . 1 . . . . 62 THR HA . 18180 1 734 . 1 1 62 62 THR HB H 1 4.138 0.02 . 1 . . . . 62 THR HB . 18180 1 735 . 1 1 62 62 THR HG21 H 1 1.170 0.02 . 1 . . . . 62 THR HG2 . 18180 1 736 . 1 1 62 62 THR HG22 H 1 1.170 0.02 . 1 . . . . 62 THR HG2 . 18180 1 737 . 1 1 62 62 THR HG23 H 1 1.170 0.02 . 1 . . . . 62 THR HG2 . 18180 1 738 . 1 1 62 62 THR C C 13 173.185 0.3 . 1 . . . . 62 THR C . 18180 1 739 . 1 1 62 62 THR CA C 13 58.356 0.3 . 1 . . . . 62 THR CA . 18180 1 740 . 1 1 62 62 THR CB C 13 68.981 0.3 . 1 . . . . 62 THR CB . 18180 1 741 . 1 1 62 62 THR CG2 C 13 21.641 0.3 . 1 . . . . 62 THR CG2 . 18180 1 742 . 1 1 62 62 THR N N 15 114.108 0.3 . 1 . . . . 62 THR N . 18180 1 743 . 1 1 63 63 PRO HA H 1 4.241 0.02 . 1 . . . . 63 PRO HA . 18180 1 744 . 1 1 63 63 PRO HB2 H 1 2.233 0.02 . 2 . . . . 63 PRO HB2 . 18180 1 745 . 1 1 63 63 PRO HB3 H 1 1.742 0.02 . 2 . . . . 63 PRO HB3 . 18180 1 746 . 1 1 63 63 PRO HG2 H 1 2.109 0.02 . 2 . . . . 63 PRO HG2 . 18180 1 747 . 1 1 63 63 PRO HG3 H 1 2.069 0.02 . 2 . . . . 63 PRO HG3 . 18180 1 748 . 1 1 63 63 PRO HD2 H 1 3.684 0.02 . 2 . . . . 63 PRO HD2 . 18180 1 749 . 1 1 63 63 PRO HD3 H 1 3.636 0.02 . 2 . . . . 63 PRO HD3 . 18180 1 750 . 1 1 63 63 PRO C C 13 177.477 0.3 . 1 . . . . 63 PRO C . 18180 1 751 . 1 1 63 63 PRO CA C 13 63.066 0.3 . 1 . . . . 63 PRO CA . 18180 1 752 . 1 1 63 63 PRO CB C 13 33.597 0.3 . 1 . . . . 63 PRO CB . 18180 1 753 . 1 1 63 63 PRO CG C 13 27.216 0.3 . 1 . . . . 63 PRO CG . 18180 1 754 . 1 1 63 63 PRO CD C 13 51.015 0.3 . 1 . . . . 63 PRO CD . 18180 1 755 . 1 1 64 64 GLU H H 1 9.115 0.02 . 1 . . . . 64 GLU H . 18180 1 756 . 1 1 64 64 GLU HA H 1 4.401 0.02 . 1 . . . . 64 GLU HA . 18180 1 757 . 1 1 64 64 GLU HB2 H 1 2.148 0.02 . 2 . . . . 64 GLU HB2 . 18180 1 758 . 1 1 64 64 GLU HB3 H 1 2.062 0.02 . 2 . . . . 64 GLU HB3 . 18180 1 759 . 1 1 64 64 GLU HG2 H 1 2.393 0.02 . 2 . . . . 64 GLU HG2 . 18180 1 760 . 1 1 64 64 GLU HG3 H 1 2.391 0.02 . 2 . . . . 64 GLU HG3 . 18180 1 761 . 1 1 64 64 GLU C C 13 176.701 0.3 . 1 . . . . 64 GLU C . 18180 1 762 . 1 1 64 64 GLU CA C 13 55.657 0.3 . 1 . . . . 64 GLU CA . 18180 1 763 . 1 1 64 64 GLU CB C 13 31.202 0.3 . 1 . . . . 64 GLU CB . 18180 1 764 . 1 1 64 64 GLU CG C 13 36.010 0.3 . 1 . . . . 64 GLU CG . 18180 1 765 . 1 1 64 64 GLU N N 15 122.755 0.3 . 1 . . . . 64 GLU N . 18180 1 766 . 1 1 65 65 SER H H 1 8.711 0.02 . 1 . . . . 65 SER H . 18180 1 767 . 1 1 65 65 SER HA H 1 5.194 0.02 . 1 . . . . 65 SER HA . 18180 1 768 . 1 1 65 65 SER HB2 H 1 3.799 0.02 . 2 . . . . 65 SER HB2 . 18180 1 769 . 1 1 65 65 SER HB3 H 1 3.671 0.02 . 2 . . . . 65 SER HB3 . 18180 1 770 . 1 1 65 65 SER C C 13 174.522 0.3 . 1 . . . . 65 SER C . 18180 1 771 . 1 1 65 65 SER CA C 13 58.569 0.3 . 1 . . . . 65 SER CA . 18180 1 772 . 1 1 65 65 SER CB C 13 64.403 0.3 . 1 . . . . 65 SER CB . 18180 1 773 . 1 1 65 65 SER N N 15 118.251 0.3 . 1 . . . . 65 SER N . 18180 1 774 . 1 1 66 66 VAL H H 1 9.577 0.02 . 1 . . . . 66 VAL H . 18180 1 775 . 1 1 66 66 VAL HA H 1 4.419 0.02 . 1 . . . . 66 VAL HA . 18180 1 776 . 1 1 66 66 VAL HB H 1 1.997 0.02 . 1 . . . . 66 VAL HB . 18180 1 777 . 1 1 66 66 VAL HG11 H 1 0.927 0.02 . 1 . . . . 66 VAL HG1 . 18180 1 778 . 1 1 66 66 VAL HG12 H 1 0.927 0.02 . 1 . . . . 66 VAL HG1 . 18180 1 779 . 1 1 66 66 VAL HG13 H 1 0.927 0.02 . 1 . . . . 66 VAL HG1 . 18180 1 780 . 1 1 66 66 VAL HG21 H 1 1.012 0.02 . 1 . . . . 66 VAL HG2 . 18180 1 781 . 1 1 66 66 VAL HG22 H 1 1.012 0.02 . 1 . . . . 66 VAL HG2 . 18180 1 782 . 1 1 66 66 VAL HG23 H 1 1.012 0.02 . 1 . . . . 66 VAL HG2 . 18180 1 783 . 1 1 66 66 VAL C C 13 174.076 0.3 . 1 . . . . 66 VAL C . 18180 1 784 . 1 1 66 66 VAL CA C 13 60.798 0.3 . 1 . . . . 66 VAL CA . 18180 1 785 . 1 1 66 66 VAL CB C 13 35.603 0.3 . 1 . . . . 66 VAL CB . 18180 1 786 . 1 1 66 66 VAL CG1 C 13 21.095 0.3 . 1 . . . . 66 VAL CG1 . 18180 1 787 . 1 1 66 66 VAL CG2 C 13 21.130 0.3 . 1 . . . . 66 VAL CG2 . 18180 1 788 . 1 1 66 66 VAL N N 15 124.266 0.3 . 1 . . . . 66 VAL N . 18180 1 789 . 1 1 67 67 ASP H H 1 8.615 0.02 . 1 . . . . 67 ASP H . 18180 1 790 . 1 1 67 67 ASP HA H 1 5.281 0.02 . 1 . . . . 67 ASP HA . 18180 1 791 . 1 1 67 67 ASP HB2 H 1 2.224 0.02 . 2 . . . . 67 ASP HB2 . 18180 1 792 . 1 1 67 67 ASP HB3 H 1 2.586 0.02 . 2 . . . . 67 ASP HB3 . 18180 1 793 . 1 1 67 67 ASP C C 13 176.235 0.3 . 1 . . . . 67 ASP C . 18180 1 794 . 1 1 67 67 ASP CA C 13 53.529 0.3 . 1 . . . . 67 ASP CA . 18180 1 795 . 1 1 67 67 ASP CB C 13 41.354 0.3 . 1 . . . . 67 ASP CB . 18180 1 796 . 1 1 67 67 ASP N N 15 125.748 0.3 . 1 . . . . 67 ASP N . 18180 1 797 . 1 1 68 68 LEU H H 1 9.126 0.02 . 1 . . . . 68 LEU H . 18180 1 798 . 1 1 68 68 LEU HA H 1 4.579 0.02 . 1 . . . . 68 LEU HA . 18180 1 799 . 1 1 68 68 LEU HB2 H 1 1.663 0.02 . 2 . . . . 68 LEU HB2 . 18180 1 800 . 1 1 68 68 LEU HB3 H 1 1.559 0.02 . 2 . . . . 68 LEU HB3 . 18180 1 801 . 1 1 68 68 LEU HG H 1 1.420 0.02 . 1 . . . . 68 LEU HG . 18180 1 802 . 1 1 68 68 LEU HD11 H 1 0.019 0.02 . 1 . . . . 68 LEU HD1 . 18180 1 803 . 1 1 68 68 LEU HD12 H 1 0.019 0.02 . 1 . . . . 68 LEU HD1 . 18180 1 804 . 1 1 68 68 LEU HD13 H 1 0.019 0.02 . 1 . . . . 68 LEU HD1 . 18180 1 805 . 1 1 68 68 LEU HD21 H 1 0.396 0.02 . 1 . . . . 68 LEU HD2 . 18180 1 806 . 1 1 68 68 LEU HD22 H 1 0.396 0.02 . 1 . . . . 68 LEU HD2 . 18180 1 807 . 1 1 68 68 LEU HD23 H 1 0.396 0.02 . 1 . . . . 68 LEU HD2 . 18180 1 808 . 1 1 68 68 LEU C C 13 177.184 0.3 . 1 . . . . 68 LEU C . 18180 1 809 . 1 1 68 68 LEU CA C 13 53.953 0.3 . 1 . . . . 68 LEU CA . 18180 1 810 . 1 1 68 68 LEU CB C 13 41.696 0.3 . 1 . . . . 68 LEU CB . 18180 1 811 . 1 1 68 68 LEU CG C 13 27.377 0.3 . 1 . . . . 68 LEU CG . 18180 1 812 . 1 1 68 68 LEU CD1 C 13 24.750 0.3 . 1 . . . . 68 LEU CD1 . 18180 1 813 . 1 1 68 68 LEU CD2 C 13 23.005 0.3 . 1 . . . . 68 LEU CD2 . 18180 1 814 . 1 1 68 68 LEU N N 15 125.661 0.3 . 1 . . . . 68 LEU N . 18180 1 815 . 1 1 69 69 GLU H H 1 8.802 0.02 . 1 . . . . 69 GLU H . 18180 1 816 . 1 1 69 69 GLU HA H 1 4.821 0.02 . 1 . . . . 69 GLU HA . 18180 1 817 . 1 1 69 69 GLU HB2 H 1 2.191 0.02 . 2 . . . . 69 GLU HB2 . 18180 1 818 . 1 1 69 69 GLU HB3 H 1 2.010 0.02 . 2 . . . . 69 GLU HB3 . 18180 1 819 . 1 1 69 69 GLU HG2 H 1 2.417 0.02 . 2 . . . . 69 GLU HG2 . 18180 1 820 . 1 1 69 69 GLU HG3 H 1 2.417 0.02 . 2 . . . . 69 GLU HG3 . 18180 1 821 . 1 1 69 69 GLU C C 13 177.127 0.3 . 1 . . . . 69 GLU C . 18180 1 822 . 1 1 69 69 GLU CA C 13 55.899 0.3 . 1 . . . . 69 GLU CA . 18180 1 823 . 1 1 69 69 GLU CB C 13 31.371 0.3 . 1 . . . . 69 GLU CB . 18180 1 824 . 1 1 69 69 GLU CG C 13 36.664 0.3 . 1 . . . . 69 GLU CG . 18180 1 825 . 1 1 69 69 GLU N N 15 122.281 0.3 . 1 . . . . 69 GLU N . 18180 1 826 . 1 1 70 70 THR H H 1 8.174 0.02 . 1 . . . . 70 THR H . 18180 1 827 . 1 1 70 70 THR HA H 1 5.455 0.02 . 1 . . . . 70 THR HA . 18180 1 828 . 1 1 70 70 THR HB H 1 4.216 0.02 . 1 . . . . 70 THR HB . 18180 1 829 . 1 1 70 70 THR HG21 H 1 0.865 0.02 . 1 . . . . 70 THR HG2 . 18180 1 830 . 1 1 70 70 THR HG22 H 1 0.865 0.02 . 1 . . . . 70 THR HG2 . 18180 1 831 . 1 1 70 70 THR HG23 H 1 0.865 0.02 . 1 . . . . 70 THR HG2 . 18180 1 832 . 1 1 70 70 THR C C 13 178.184 0.3 . 1 . . . . 70 THR C . 18180 1 833 . 1 1 70 70 THR CA C 13 59.773 0.3 . 1 . . . . 70 THR CA . 18180 1 834 . 1 1 70 70 THR CB C 13 72.806 0.3 . 1 . . . . 70 THR CB . 18180 1 835 . 1 1 70 70 THR CG2 C 13 22.469 0.3 . 1 . . . . 70 THR CG2 . 18180 1 836 . 1 1 70 70 THR N N 15 108.761 0.3 . 1 . . . . 70 THR N . 18180 1 837 . 1 1 71 71 SER H H 1 9.141 0.02 . 1 . . . . 71 SER H . 18180 1 838 . 1 1 71 71 SER HA H 1 4.175 0.02 . 1 . . . . 71 SER HA . 18180 1 839 . 1 1 71 71 SER HB2 H 1 4.154 0.02 . 2 . . . . 71 SER HB2 . 18180 1 840 . 1 1 71 71 SER HB3 H 1 4.309 0.02 . 2 . . . . 71 SER HB3 . 18180 1 841 . 1 1 71 71 SER C C 13 174.568 0.3 . 1 . . . . 71 SER C . 18180 1 842 . 1 1 71 71 SER CA C 13 60.912 0.3 . 1 . . . . 71 SER CA . 18180 1 843 . 1 1 71 71 SER CB C 13 63.835 0.3 . 1 . . . . 71 SER CB . 18180 1 844 . 1 1 71 71 SER N N 15 117.430 0.3 . 1 . . . . 71 SER N . 18180 1 845 . 1 1 72 72 ASP H H 1 8.532 0.02 . 1 . . . . 72 ASP H . 18180 1 846 . 1 1 72 72 ASP HA H 1 4.860 0.02 . 1 . . . . 72 ASP HA . 18180 1 847 . 1 1 72 72 ASP HB2 H 1 3.014 0.02 . 2 . . . . 72 ASP HB2 . 18180 1 848 . 1 1 72 72 ASP HB3 H 1 2.703 0.02 . 2 . . . . 72 ASP HB3 . 18180 1 849 . 1 1 72 72 ASP C C 13 174.826 0.3 . 1 . . . . 72 ASP C . 18180 1 850 . 1 1 72 72 ASP CA C 13 52.525 0.3 . 1 . . . . 72 ASP CA . 18180 1 851 . 1 1 72 72 ASP CB C 13 38.542 0.3 . 1 . . . . 72 ASP CB . 18180 1 852 . 1 1 72 72 ASP N N 15 119.051 0.3 . 1 . . . . 72 ASP N . 18180 1 853 . 1 1 73 73 ASP H H 1 7.922 0.02 . 1 . . . . 73 ASP H . 18180 1 854 . 1 1 73 73 ASP HA H 1 4.465 0.02 . 1 . . . . 73 ASP HA . 18180 1 855 . 1 1 73 73 ASP HB2 H 1 3.040 0.02 . 2 . . . . 73 ASP HB2 . 18180 1 856 . 1 1 73 73 ASP HB3 H 1 2.720 0.02 . 2 . . . . 73 ASP HB3 . 18180 1 857 . 1 1 73 73 ASP C C 13 175.440 0.3 . 1 . . . . 73 ASP C . 18180 1 858 . 1 1 73 73 ASP CA C 13 55.797 0.3 . 1 . . . . 73 ASP CA . 18180 1 859 . 1 1 73 73 ASP CB C 13 38.474 0.3 . 1 . . . . 73 ASP CB . 18180 1 860 . 1 1 73 73 ASP N N 15 114.964 0.3 . 1 . . . . 73 ASP N . 18180 1 861 . 1 1 74 74 ARG H H 1 7.799 0.02 . 1 . . . . 74 ARG H . 18180 1 862 . 1 1 74 74 ARG HA H 1 4.793 0.02 . 1 . . . . 74 ARG HA . 18180 1 863 . 1 1 74 74 ARG HB2 H 1 2.008 0.02 . 2 . . . . 74 ARG HB2 . 18180 1 864 . 1 1 74 74 ARG HB3 H 1 1.619 0.02 . 2 . . . . 74 ARG HB3 . 18180 1 865 . 1 1 74 74 ARG HG2 H 1 1.448 0.02 . 2 . . . . 74 ARG HG2 . 18180 1 866 . 1 1 74 74 ARG HG3 H 1 1.497 0.02 . 2 . . . . 74 ARG HG3 . 18180 1 867 . 1 1 74 74 ARG HD2 H 1 3.175 0.02 . 2 . . . . 74 ARG HD2 . 18180 1 868 . 1 1 74 74 ARG HD3 H 1 3.170 0.02 . 2 . . . . 74 ARG HD3 . 18180 1 869 . 1 1 74 74 ARG HE H 1 7.041 0.02 . 1 . . . . 74 ARG HE . 18180 1 870 . 1 1 74 74 ARG C C 13 176.471 0.3 . 1 . . . . 74 ARG C . 18180 1 871 . 1 1 74 74 ARG CA C 13 54.102 0.3 . 1 . . . . 74 ARG CA . 18180 1 872 . 1 1 74 74 ARG CB C 13 31.956 0.3 . 1 . . . . 74 ARG CB . 18180 1 873 . 1 1 74 74 ARG CG C 13 27.310 0.3 . 1 . . . . 74 ARG CG . 18180 1 874 . 1 1 74 74 ARG CD C 13 43.475 0.3 . 1 . . . . 74 ARG CD . 18180 1 875 . 1 1 74 74 ARG N N 15 117.338 0.3 . 1 . . . . 74 ARG N . 18180 1 876 . 1 1 74 74 ARG NE N 15 85.325 0.3 . 1 . . . . 74 ARG NE . 18180 1 877 . 1 1 75 75 THR H H 1 7.739 0.02 . 1 . . . . 75 THR H . 18180 1 878 . 1 1 75 75 THR HA H 1 5.519 0.02 . 1 . . . . 75 THR HA . 18180 1 879 . 1 1 75 75 THR HB H 1 3.842 0.02 . 1 . . . . 75 THR HB . 18180 1 880 . 1 1 75 75 THR HG21 H 1 1.094 0.02 . 1 . . . . 75 THR HG2 . 18180 1 881 . 1 1 75 75 THR HG22 H 1 1.094 0.02 . 1 . . . . 75 THR HG2 . 18180 1 882 . 1 1 75 75 THR HG23 H 1 1.094 0.02 . 1 . . . . 75 THR HG2 . 18180 1 883 . 1 1 75 75 THR C C 13 174.440 0.3 . 1 . . . . 75 THR C . 18180 1 884 . 1 1 75 75 THR CA C 13 60.679 0.3 . 1 . . . . 75 THR CA . 18180 1 885 . 1 1 75 75 THR CB C 13 72.447 0.3 . 1 . . . . 75 THR CB . 18180 1 886 . 1 1 75 75 THR CG2 C 13 21.825 0.3 . 1 . . . . 75 THR CG2 . 18180 1 887 . 1 1 75 75 THR N N 15 111.372 0.3 . 1 . . . . 75 THR N . 18180 1 888 . 1 1 76 76 VAL H H 1 9.183 0.02 . 1 . . . . 76 VAL H . 18180 1 889 . 1 1 76 76 VAL HA H 1 4.474 0.02 . 1 . . . . 76 VAL HA . 18180 1 890 . 1 1 76 76 VAL HB H 1 1.950 0.02 . 1 . . . . 76 VAL HB . 18180 1 891 . 1 1 76 76 VAL HG11 H 1 0.941 0.02 . 1 . . . . 76 VAL HG1 . 18180 1 892 . 1 1 76 76 VAL HG12 H 1 0.941 0.02 . 1 . . . . 76 VAL HG1 . 18180 1 893 . 1 1 76 76 VAL HG13 H 1 0.941 0.02 . 1 . . . . 76 VAL HG1 . 18180 1 894 . 1 1 76 76 VAL HG21 H 1 0.902 0.02 . 1 . . . . 76 VAL HG2 . 18180 1 895 . 1 1 76 76 VAL HG22 H 1 0.902 0.02 . 1 . . . . 76 VAL HG2 . 18180 1 896 . 1 1 76 76 VAL HG23 H 1 0.902 0.02 . 1 . . . . 76 VAL HG2 . 18180 1 897 . 1 1 76 76 VAL C C 13 173.848 0.3 . 1 . . . . 76 VAL C . 18180 1 898 . 1 1 76 76 VAL CA C 13 60.595 0.3 . 1 . . . . 76 VAL CA . 18180 1 899 . 1 1 76 76 VAL CB C 13 35.472 0.3 . 1 . . . . 76 VAL CB . 18180 1 900 . 1 1 76 76 VAL CG1 C 13 20.945 0.3 . 1 . . . . 76 VAL CG1 . 18180 1 901 . 1 1 76 76 VAL CG2 C 13 21.507 0.3 . 1 . . . . 76 VAL CG2 . 18180 1 902 . 1 1 76 76 VAL N N 15 121.578 0.3 . 1 . . . . 76 VAL N . 18180 1 903 . 1 1 77 77 ARG H H 1 8.477 0.02 . 1 . . . . 77 ARG H . 18180 1 904 . 1 1 77 77 ARG HA H 1 5.199 0.02 . 1 . . . . 77 ARG HA . 18180 1 905 . 1 1 77 77 ARG HB2 H 1 1.788 0.02 . 2 . . . . 77 ARG HB2 . 18180 1 906 . 1 1 77 77 ARG HB3 H 1 1.792 0.02 . 2 . . . . 77 ARG HB3 . 18180 1 907 . 1 1 77 77 ARG HG2 H 1 1.504 0.02 . 2 . . . . 77 ARG HG2 . 18180 1 908 . 1 1 77 77 ARG HG3 H 1 1.634 0.02 . 2 . . . . 77 ARG HG3 . 18180 1 909 . 1 1 77 77 ARG HD2 H 1 3.129 0.02 . 2 . . . . 77 ARG HD2 . 18180 1 910 . 1 1 77 77 ARG HD3 H 1 3.203 0.02 . 2 . . . . 77 ARG HD3 . 18180 1 911 . 1 1 77 77 ARG HE H 1 8.171 0.02 . 1 . . . . 77 ARG HE . 18180 1 912 . 1 1 77 77 ARG C C 13 176.772 0.3 . 1 . . . . 77 ARG C . 18180 1 913 . 1 1 77 77 ARG CA C 13 56.515 0.3 . 1 . . . . 77 ARG CA . 18180 1 914 . 1 1 77 77 ARG CB C 13 31.435 0.3 . 1 . . . . 77 ARG CB . 18180 1 915 . 1 1 77 77 ARG CG C 13 26.938 0.3 . 1 . . . . 77 ARG CG . 18180 1 916 . 1 1 77 77 ARG CD C 13 43.100 0.3 . 1 . . . . 77 ARG CD . 18180 1 917 . 1 1 77 77 ARG N N 15 127.333 0.3 . 1 . . . . 77 ARG N . 18180 1 918 . 1 1 77 77 ARG NE N 15 85.131 0.3 . 1 . . . . 77 ARG NE . 18180 1 919 . 1 1 78 78 TYR H H 1 9.546 0.02 . 1 . . . . 78 TYR H . 18180 1 920 . 1 1 78 78 TYR HA H 1 4.736 0.02 . 1 . . . . 78 TYR HA . 18180 1 921 . 1 1 78 78 TYR HB2 H 1 3.110 0.02 . 2 . . . . 78 TYR HB2 . 18180 1 922 . 1 1 78 78 TYR HB3 H 1 2.709 0.02 . 2 . . . . 78 TYR HB3 . 18180 1 923 . 1 1 78 78 TYR HD1 H 1 6.990 0.02 . 3 . . . . 78 TYR HD1 . 18180 1 924 . 1 1 78 78 TYR HD2 H 1 6.988 0.02 . 3 . . . . 78 TYR HD2 . 18180 1 925 . 1 1 78 78 TYR HE1 H 1 6.598 0.02 . 3 . . . . 78 TYR HE1 . 18180 1 926 . 1 1 78 78 TYR HE2 H 1 6.598 0.02 . 3 . . . . 78 TYR HE2 . 18180 1 927 . 1 1 78 78 TYR C C 13 174.531 0.3 . 1 . . . . 78 TYR C . 18180 1 928 . 1 1 78 78 TYR CA C 13 57.755 0.3 . 1 . . . . 78 TYR CA . 18180 1 929 . 1 1 78 78 TYR CB C 13 44.274 0.3 . 1 . . . . 78 TYR CB . 18180 1 930 . 1 1 78 78 TYR CD1 C 13 132.600 0.3 . 3 . . . . 78 TYR CD1 . 18180 1 931 . 1 1 78 78 TYR CD2 C 13 132.600 0.3 . 3 . . . . 78 TYR CD2 . 18180 1 932 . 1 1 78 78 TYR CE1 C 13 118.188 0.3 . 3 . . . . 78 TYR CE1 . 18180 1 933 . 1 1 78 78 TYR CE2 C 13 118.188 0.3 . 3 . . . . 78 TYR CE2 . 18180 1 934 . 1 1 78 78 TYR N N 15 128.053 0.3 . 1 . . . . 78 TYR N . 18180 1 935 . 1 1 79 79 LEU H H 1 9.069 0.02 . 1 . . . . 79 LEU H . 18180 1 936 . 1 1 79 79 LEU HA H 1 5.295 0.02 . 1 . . . . 79 LEU HA . 18180 1 937 . 1 1 79 79 LEU HB2 H 1 2.198 0.02 . 2 . . . . 79 LEU HB2 . 18180 1 938 . 1 1 79 79 LEU HB3 H 1 1.134 0.02 . 2 . . . . 79 LEU HB3 . 18180 1 939 . 1 1 79 79 LEU HG H 1 1.727 0.02 . 1 . . . . 79 LEU HG . 18180 1 940 . 1 1 79 79 LEU HD11 H 1 0.906 0.02 . 1 . . . . 79 LEU HD1 . 18180 1 941 . 1 1 79 79 LEU HD12 H 1 0.906 0.02 . 1 . . . . 79 LEU HD1 . 18180 1 942 . 1 1 79 79 LEU HD13 H 1 0.906 0.02 . 1 . . . . 79 LEU HD1 . 18180 1 943 . 1 1 79 79 LEU HD21 H 1 0.836 0.02 . 1 . . . . 79 LEU HD2 . 18180 1 944 . 1 1 79 79 LEU HD22 H 1 0.836 0.02 . 1 . . . . 79 LEU HD2 . 18180 1 945 . 1 1 79 79 LEU HD23 H 1 0.836 0.02 . 1 . . . . 79 LEU HD2 . 18180 1 946 . 1 1 79 79 LEU C C 13 178.201 0.3 . 1 . . . . 79 LEU C . 18180 1 947 . 1 1 79 79 LEU CA C 13 53.694 0.3 . 1 . . . . 79 LEU CA . 18180 1 948 . 1 1 79 79 LEU CB C 13 43.799 0.3 . 1 . . . . 79 LEU CB . 18180 1 949 . 1 1 79 79 LEU CG C 13 26.996 0.3 . 1 . . . . 79 LEU CG . 18180 1 950 . 1 1 79 79 LEU CD1 C 13 25.684 0.3 . 1 . . . . 79 LEU CD1 . 18180 1 951 . 1 1 79 79 LEU CD2 C 13 22.840 0.3 . 1 . . . . 79 LEU CD2 . 18180 1 952 . 1 1 79 79 LEU N N 15 117.244 0.3 . 1 . . . . 79 LEU N . 18180 1 953 . 1 1 80 80 HIS H H 1 9.367 0.02 . 1 . . . . 80 HIS H . 18180 1 954 . 1 1 80 80 HIS HA H 1 5.325 0.02 . 1 . . . . 80 HIS HA . 18180 1 955 . 1 1 80 80 HIS HB2 H 1 3.426 0.02 . 2 . . . . 80 HIS HB2 . 18180 1 956 . 1 1 80 80 HIS HB3 H 1 3.047 0.02 . 2 . . . . 80 HIS HB3 . 18180 1 957 . 1 1 80 80 HIS HD2 H 1 7.367 0.02 . 1 . . . . 80 HIS HD2 . 18180 1 958 . 1 1 80 80 HIS HE1 H 1 6.852 0.02 . 1 . . . . 80 HIS HE1 . 18180 1 959 . 1 1 80 80 HIS C C 13 174.628 0.3 . 1 . . . . 80 HIS C . 18180 1 960 . 1 1 80 80 HIS CA C 13 53.677 0.3 . 1 . . . . 80 HIS CA . 18180 1 961 . 1 1 80 80 HIS CB C 13 29.935 0.3 . 1 . . . . 80 HIS CB . 18180 1 962 . 1 1 80 80 HIS CD2 C 13 115.814 0.3 . 1 . . . . 80 HIS CD2 . 18180 1 963 . 1 1 80 80 HIS CE1 C 13 137.345 0.3 . 1 . . . . 80 HIS CE1 . 18180 1 964 . 1 1 80 80 HIS N N 15 123.220 0.3 . 1 . . . . 80 HIS N . 18180 1 965 . 1 1 80 80 HIS ND1 N 15 227.279 0.3 . 1 . . . . 80 HIS ND1 . 18180 1 966 . 1 1 80 80 HIS NE2 N 15 167.242 0.3 . 1 . . . . 80 HIS NE2 . 18180 1 967 . 1 1 81 81 VAL H H 1 7.742 0.02 . 1 . . . . 81 VAL H . 18180 1 968 . 1 1 81 81 VAL HA H 1 4.346 0.02 . 1 . . . . 81 VAL HA . 18180 1 969 . 1 1 81 81 VAL HB H 1 2.384 0.02 . 1 . . . . 81 VAL HB . 18180 1 970 . 1 1 81 81 VAL HG11 H 1 1.060 0.02 . 1 . . . . 81 VAL HG1 . 18180 1 971 . 1 1 81 81 VAL HG12 H 1 1.060 0.02 . 1 . . . . 81 VAL HG1 . 18180 1 972 . 1 1 81 81 VAL HG13 H 1 1.060 0.02 . 1 . . . . 81 VAL HG1 . 18180 1 973 . 1 1 81 81 VAL HG21 H 1 0.773 0.02 . 1 . . . . 81 VAL HG2 . 18180 1 974 . 1 1 81 81 VAL HG22 H 1 0.773 0.02 . 1 . . . . 81 VAL HG2 . 18180 1 975 . 1 1 81 81 VAL HG23 H 1 0.773 0.02 . 1 . . . . 81 VAL HG2 . 18180 1 976 . 1 1 81 81 VAL C C 13 176.515 0.3 . 1 . . . . 81 VAL C . 18180 1 977 . 1 1 81 81 VAL CA C 13 63.146 0.3 . 1 . . . . 81 VAL CA . 18180 1 978 . 1 1 81 81 VAL CB C 13 32.140 0.3 . 1 . . . . 81 VAL CB . 18180 1 979 . 1 1 81 81 VAL CG1 C 13 23.368 0.3 . 1 . . . . 81 VAL CG1 . 18180 1 980 . 1 1 81 81 VAL CG2 C 13 18.625 0.3 . 1 . . . . 81 VAL CG2 . 18180 1 981 . 1 1 81 81 VAL N N 15 118.534 0.3 . 1 . . . . 81 VAL N . 18180 1 982 . 1 1 82 82 ALA H H 1 7.877 0.02 . 1 . . . . 82 ALA H . 18180 1 983 . 1 1 82 82 ALA HA H 1 4.961 0.02 . 1 . . . . 82 ALA HA . 18180 1 984 . 1 1 82 82 ALA HB1 H 1 1.136 0.02 . 1 . . . . 82 ALA HB . 18180 1 985 . 1 1 82 82 ALA HB2 H 1 1.136 0.02 . 1 . . . . 82 ALA HB . 18180 1 986 . 1 1 82 82 ALA HB3 H 1 1.136 0.02 . 1 . . . . 82 ALA HB . 18180 1 987 . 1 1 82 82 ALA C C 13 176.233 0.3 . 1 . . . . 82 ALA C . 18180 1 988 . 1 1 82 82 ALA CA C 13 51.368 0.3 . 1 . . . . 82 ALA CA . 18180 1 989 . 1 1 82 82 ALA CB C 13 21.615 0.3 . 1 . . . . 82 ALA CB . 18180 1 990 . 1 1 82 82 ALA N N 15 120.442 0.3 . 1 . . . . 82 ALA N . 18180 1 991 . 1 1 83 83 THR H H 1 9.306 0.02 . 1 . . . . 83 THR H . 18180 1 992 . 1 1 83 83 THR HA H 1 4.959 0.02 . 1 . . . . 83 THR HA . 18180 1 993 . 1 1 83 83 THR HB H 1 3.916 0.02 . 1 . . . . 83 THR HB . 18180 1 994 . 1 1 83 83 THR HG21 H 1 1.269 0.02 . 1 . . . . 83 THR HG2 . 18180 1 995 . 1 1 83 83 THR HG22 H 1 1.269 0.02 . 1 . . . . 83 THR HG2 . 18180 1 996 . 1 1 83 83 THR HG23 H 1 1.269 0.02 . 1 . . . . 83 THR HG2 . 18180 1 997 . 1 1 83 83 THR C C 13 172.137 0.3 . 1 . . . . 83 THR C . 18180 1 998 . 1 1 83 83 THR CA C 13 63.143 0.3 . 1 . . . . 83 THR CA . 18180 1 999 . 1 1 83 83 THR CB C 13 71.378 0.3 . 1 . . . . 83 THR CB . 18180 1 1000 . 1 1 83 83 THR CG2 C 13 22.116 0.3 . 1 . . . . 83 THR CG2 . 18180 1 1001 . 1 1 83 83 THR N N 15 119.767 0.3 . 1 . . . . 83 THR N . 18180 1 1002 . 1 1 84 84 LEU H H 1 9.463 0.02 . 1 . . . . 84 LEU H . 18180 1 1003 . 1 1 84 84 LEU HA H 1 5.079 0.02 . 1 . . . . 84 LEU HA . 18180 1 1004 . 1 1 84 84 LEU HB2 H 1 1.939 0.02 . 2 . . . . 84 LEU HB2 . 18180 1 1005 . 1 1 84 84 LEU HB3 H 1 1.240 0.02 . 2 . . . . 84 LEU HB3 . 18180 1 1006 . 1 1 84 84 LEU HG H 1 1.540 0.02 . 1 . . . . 84 LEU HG . 18180 1 1007 . 1 1 84 84 LEU HD11 H 1 0.667 0.02 . 1 . . . . 84 LEU HD1 . 18180 1 1008 . 1 1 84 84 LEU HD12 H 1 0.667 0.02 . 1 . . . . 84 LEU HD1 . 18180 1 1009 . 1 1 84 84 LEU HD13 H 1 0.667 0.02 . 1 . . . . 84 LEU HD1 . 18180 1 1010 . 1 1 84 84 LEU HD21 H 1 0.606 0.02 . 1 . . . . 84 LEU HD2 . 18180 1 1011 . 1 1 84 84 LEU HD22 H 1 0.606 0.02 . 1 . . . . 84 LEU HD2 . 18180 1 1012 . 1 1 84 84 LEU HD23 H 1 0.606 0.02 . 1 . . . . 84 LEU HD2 . 18180 1 1013 . 1 1 84 84 LEU C C 13 175.578 0.3 . 1 . . . . 84 LEU C . 18180 1 1014 . 1 1 84 84 LEU CA C 13 53.324 0.3 . 1 . . . . 84 LEU CA . 18180 1 1015 . 1 1 84 84 LEU CB C 13 43.552 0.3 . 1 . . . . 84 LEU CB . 18180 1 1016 . 1 1 84 84 LEU CG C 13 27.690 0.3 . 1 . . . . 84 LEU CG . 18180 1 1017 . 1 1 84 84 LEU CD1 C 13 26.538 0.3 . 1 . . . . 84 LEU CD1 . 18180 1 1018 . 1 1 84 84 LEU CD2 C 13 24.807 0.3 . 1 . . . . 84 LEU CD2 . 18180 1 1019 . 1 1 84 84 LEU N N 15 128.373 0.3 . 1 . . . . 84 LEU N . 18180 1 1020 . 1 1 85 85 SER H H 1 8.921 0.02 . 1 . . . . 85 SER H . 18180 1 1021 . 1 1 85 85 SER HA H 1 5.786 0.02 . 1 . . . . 85 SER HA . 18180 1 1022 . 1 1 85 85 SER HB2 H 1 3.899 0.02 . 2 . . . . 85 SER HB2 . 18180 1 1023 . 1 1 85 85 SER HB3 H 1 3.601 0.02 . 2 . . . . 85 SER HB3 . 18180 1 1024 . 1 1 85 85 SER C C 13 174.087 0.3 . 1 . . . . 85 SER C . 18180 1 1025 . 1 1 85 85 SER CA C 13 57.452 0.3 . 1 . . . . 85 SER CA . 18180 1 1026 . 1 1 85 85 SER CB C 13 64.668 0.3 . 1 . . . . 85 SER CB . 18180 1 1027 . 1 1 85 85 SER N N 15 118.334 0.3 . 1 . . . . 85 SER N . 18180 1 1028 . 1 1 86 86 PHE H H 1 8.465 0.02 . 1 . . . . 86 PHE H . 18180 1 1029 . 1 1 86 86 PHE HA H 1 5.068 0.02 . 1 . . . . 86 PHE HA . 18180 1 1030 . 1 1 86 86 PHE HB2 H 1 3.133 0.02 . 2 . . . . 86 PHE HB2 . 18180 1 1031 . 1 1 86 86 PHE HB3 H 1 2.887 0.02 . 2 . . . . 86 PHE HB3 . 18180 1 1032 . 1 1 86 86 PHE HD1 H 1 6.758 0.02 . 3 . . . . 86 PHE HD1 . 18180 1 1033 . 1 1 86 86 PHE HD2 H 1 6.758 0.02 . 3 . . . . 86 PHE HD2 . 18180 1 1034 . 1 1 86 86 PHE HE1 H 1 6.940 0.02 . 3 . . . . 86 PHE HE1 . 18180 1 1035 . 1 1 86 86 PHE HE2 H 1 6.946 0.02 . 3 . . . . 86 PHE HE2 . 18180 1 1036 . 1 1 86 86 PHE HZ H 1 6.991 0.02 . 1 . . . . 86 PHE HZ . 18180 1 1037 . 1 1 86 86 PHE C C 13 172.168 0.3 . 1 . . . . 86 PHE C . 18180 1 1038 . 1 1 86 86 PHE CA C 13 55.695 0.3 . 1 . . . . 86 PHE CA . 18180 1 1039 . 1 1 86 86 PHE CB C 13 40.423 0.3 . 1 . . . . 86 PHE CB . 18180 1 1040 . 1 1 86 86 PHE CD1 C 13 133.240 0.3 . 3 . . . . 86 PHE CD1 . 18180 1 1041 . 1 1 86 86 PHE CD2 C 13 133.240 0.3 . 3 . . . . 86 PHE CD2 . 18180 1 1042 . 1 1 86 86 PHE CE1 C 13 129.687 0.3 . 3 . . . . 86 PHE CE1 . 18180 1 1043 . 1 1 86 86 PHE CE2 C 13 129.671 0.3 . 3 . . . . 86 PHE CE2 . 18180 1 1044 . 1 1 86 86 PHE CZ C 13 128.511 0.3 . 1 . . . . 86 PHE CZ . 18180 1 1045 . 1 1 86 86 PHE N N 15 122.120 0.3 . 1 . . . . 86 PHE N . 18180 1 1046 . 1 1 87 87 ASP H H 1 9.003 0.02 . 1 . . . . 87 ASP H . 18180 1 1047 . 1 1 87 87 ASP HA H 1 5.163 0.02 . 1 . . . . 87 ASP HA . 18180 1 1048 . 1 1 87 87 ASP HB2 H 1 2.486 0.02 . 2 . . . . 87 ASP HB2 . 18180 1 1049 . 1 1 87 87 ASP HB3 H 1 2.388 0.02 . 2 . . . . 87 ASP HB3 . 18180 1 1050 . 1 1 87 87 ASP C C 13 176.743 0.3 . 1 . . . . 87 ASP C . 18180 1 1051 . 1 1 87 87 ASP CA C 13 53.413 0.3 . 1 . . . . 87 ASP CA . 18180 1 1052 . 1 1 87 87 ASP CB C 13 42.002 0.3 . 1 . . . . 87 ASP CB . 18180 1 1053 . 1 1 87 87 ASP N N 15 120.924 0.3 . 1 . . . . 87 ASP N . 18180 1 1054 . 1 1 88 88 LEU H H 1 8.340 0.02 . 1 . . . . 88 LEU H . 18180 1 1055 . 1 1 88 88 LEU HA H 1 4.550 0.02 . 1 . . . . 88 LEU HA . 18180 1 1056 . 1 1 88 88 LEU HB2 H 1 1.750 0.02 . 2 . . . . 88 LEU HB2 . 18180 1 1057 . 1 1 88 88 LEU HB3 H 1 1.552 0.02 . 2 . . . . 88 LEU HB3 . 18180 1 1058 . 1 1 88 88 LEU HG H 1 1.526 0.02 . 1 . . . . 88 LEU HG . 18180 1 1059 . 1 1 88 88 LEU HD11 H 1 0.840 0.02 . 1 . . . . 88 LEU HD1 . 18180 1 1060 . 1 1 88 88 LEU HD12 H 1 0.840 0.02 . 1 . . . . 88 LEU HD1 . 18180 1 1061 . 1 1 88 88 LEU HD13 H 1 0.840 0.02 . 1 . . . . 88 LEU HD1 . 18180 1 1062 . 1 1 88 88 LEU HD21 H 1 0.709 0.02 . 1 . . . . 88 LEU HD2 . 18180 1 1063 . 1 1 88 88 LEU HD22 H 1 0.709 0.02 . 1 . . . . 88 LEU HD2 . 18180 1 1064 . 1 1 88 88 LEU HD23 H 1 0.709 0.02 . 1 . . . . 88 LEU HD2 . 18180 1 1065 . 1 1 88 88 LEU C C 13 176.810 0.3 . 1 . . . . 88 LEU C . 18180 1 1066 . 1 1 88 88 LEU CA C 13 55.255 0.3 . 1 . . . . 88 LEU CA . 18180 1 1067 . 1 1 88 88 LEU CB C 13 46.817 0.3 . 1 . . . . 88 LEU CB . 18180 1 1068 . 1 1 88 88 LEU CG C 13 27.150 0.3 . 1 . . . . 88 LEU CG . 18180 1 1069 . 1 1 88 88 LEU CD1 C 13 23.688 0.3 . 1 . . . . 88 LEU CD1 . 18180 1 1070 . 1 1 88 88 LEU CD2 C 13 26.168 0.3 . 1 . . . . 88 LEU CD2 . 18180 1 1071 . 1 1 88 88 LEU N N 15 120.390 0.3 . 1 . . . . 88 LEU N . 18180 1 1072 . 1 1 89 89 ASP H H 1 9.788 0.02 . 1 . . . . 89 ASP H . 18180 1 1073 . 1 1 89 89 ASP HA H 1 4.303 0.02 . 1 . . . . 89 ASP HA . 18180 1 1074 . 1 1 89 89 ASP HB2 H 1 2.896 0.02 . 2 . . . . 89 ASP HB2 . 18180 1 1075 . 1 1 89 89 ASP HB3 H 1 2.397 0.02 . 2 . . . . 89 ASP HB3 . 18180 1 1076 . 1 1 89 89 ASP C C 13 176.180 0.3 . 1 . . . . 89 ASP C . 18180 1 1077 . 1 1 89 89 ASP CA C 13 55.009 0.3 . 1 . . . . 89 ASP CA . 18180 1 1078 . 1 1 89 89 ASP CB C 13 39.552 0.3 . 1 . . . . 89 ASP CB . 18180 1 1079 . 1 1 89 89 ASP N N 15 130.015 0.3 . 1 . . . . 89 ASP N . 18180 1 1080 . 1 1 90 90 GLY H H 1 8.693 0.02 . 1 . . . . 90 GLY H . 18180 1 1081 . 1 1 90 90 GLY HA2 H 1 4.104 0.02 . 2 . . . . 90 GLY HA2 . 18180 1 1082 . 1 1 90 90 GLY HA3 H 1 3.627 0.02 . 2 . . . . 90 GLY HA3 . 18180 1 1083 . 1 1 90 90 GLY C C 13 174.233 0.3 . 1 . . . . 90 GLY C . 18180 1 1084 . 1 1 90 90 GLY CA C 13 45.858 0.3 . 1 . . . . 90 GLY CA . 18180 1 1085 . 1 1 90 90 GLY N N 15 103.837 0.3 . 1 . . . . 90 GLY N . 18180 1 1086 . 1 1 91 91 GLU H H 1 7.233 0.02 . 1 . . . . 91 GLU H . 18180 1 1087 . 1 1 91 91 GLU HA H 1 4.684 0.02 . 1 . . . . 91 GLU HA . 18180 1 1088 . 1 1 91 91 GLU HB2 H 1 1.989 0.02 . 2 . . . . 91 GLU HB2 . 18180 1 1089 . 1 1 91 91 GLU HB3 H 1 1.547 0.02 . 2 . . . . 91 GLU HB3 . 18180 1 1090 . 1 1 91 91 GLU HG2 H 1 2.188 0.02 . 2 . . . . 91 GLU HG2 . 18180 1 1091 . 1 1 91 91 GLU HG3 H 1 2.188 0.02 . 2 . . . . 91 GLU HG3 . 18180 1 1092 . 1 1 91 91 GLU C C 13 175.195 0.3 . 1 . . . . 91 GLU C . 18180 1 1093 . 1 1 91 91 GLU CA C 13 54.369 0.3 . 1 . . . . 91 GLU CA . 18180 1 1094 . 1 1 91 91 GLU CB C 13 33.825 0.3 . 1 . . . . 91 GLU CB . 18180 1 1095 . 1 1 91 91 GLU CG C 13 35.824 0.3 . 1 . . . . 91 GLU CG . 18180 1 1096 . 1 1 91 91 GLU N N 15 116.512 0.3 . 1 . . . . 91 GLU N . 18180 1 1097 . 1 1 92 92 SER H H 1 8.469 0.02 . 1 . . . . 92 SER H . 18180 1 1098 . 1 1 92 92 SER HA H 1 4.681 0.02 . 1 . . . . 92 SER HA . 18180 1 1099 . 1 1 92 92 SER HB2 H 1 3.774 0.02 . 2 . . . . 92 SER HB2 . 18180 1 1100 . 1 1 92 92 SER HB3 H 1 3.693 0.02 . 2 . . . . 92 SER HB3 . 18180 1 1101 . 1 1 92 92 SER C C 13 174.581 0.3 . 1 . . . . 92 SER C . 18180 1 1102 . 1 1 92 92 SER CA C 13 58.536 0.3 . 1 . . . . 92 SER CA . 18180 1 1103 . 1 1 92 92 SER CB C 13 63.017 0.3 . 1 . . . . 92 SER CB . 18180 1 1104 . 1 1 92 92 SER N N 15 117.582 0.3 . 1 . . . . 92 SER N . 18180 1 1105 . 1 1 93 93 ARG H H 1 9.202 0.02 . 1 . . . . 93 ARG H . 18180 1 1106 . 1 1 93 93 ARG HA H 1 4.518 0.02 . 1 . . . . 93 ARG HA . 18180 1 1107 . 1 1 93 93 ARG HB2 H 1 1.380 0.02 . 2 . . . . 93 ARG HB2 . 18180 1 1108 . 1 1 93 93 ARG HB3 H 1 0.451 0.02 . 2 . . . . 93 ARG HB3 . 18180 1 1109 . 1 1 93 93 ARG HG2 H 1 1.353 0.02 . 2 . . . . 93 ARG HG2 . 18180 1 1110 . 1 1 93 93 ARG HG3 H 1 1.699 0.02 . 2 . . . . 93 ARG HG3 . 18180 1 1111 . 1 1 93 93 ARG HD2 H 1 3.154 0.02 . 2 . . . . 93 ARG HD2 . 18180 1 1112 . 1 1 93 93 ARG HD3 H 1 2.824 0.02 . 2 . . . . 93 ARG HD3 . 18180 1 1113 . 1 1 93 93 ARG HE H 1 6.886 0.02 . 1 . . . . 93 ARG HE . 18180 1 1114 . 1 1 93 93 ARG C C 13 174.332 0.3 . 1 . . . . 93 ARG C . 18180 1 1115 . 1 1 93 93 ARG CA C 13 52.715 0.3 . 1 . . . . 93 ARG CA . 18180 1 1116 . 1 1 93 93 ARG CB C 13 32.700 0.3 . 1 . . . . 93 ARG CB . 18180 1 1117 . 1 1 93 93 ARG CG C 13 27.667 0.3 . 1 . . . . 93 ARG CG . 18180 1 1118 . 1 1 93 93 ARG CD C 13 43.374 0.3 . 1 . . . . 93 ARG CD . 18180 1 1119 . 1 1 93 93 ARG N N 15 125.903 0.3 . 1 . . . . 93 ARG N . 18180 1 1120 . 1 1 93 93 ARG NE N 15 85.204 0.3 . 1 . . . . 93 ARG NE . 18180 1 1121 . 1 1 94 94 ASP H H 1 7.786 0.02 . 1 . . . . 94 ASP H . 18180 1 1122 . 1 1 94 94 ASP HA H 1 5.842 0.02 . 1 . . . . 94 ASP HA . 18180 1 1123 . 1 1 94 94 ASP HB2 H 1 2.456 0.02 . 2 . . . . 94 ASP HB2 . 18180 1 1124 . 1 1 94 94 ASP HB3 H 1 2.390 0.02 . 2 . . . . 94 ASP HB3 . 18180 1 1125 . 1 1 94 94 ASP C C 13 176.236 0.3 . 1 . . . . 94 ASP C . 18180 1 1126 . 1 1 94 94 ASP CA C 13 52.623 0.3 . 1 . . . . 94 ASP CA . 18180 1 1127 . 1 1 94 94 ASP CB C 13 44.651 0.3 . 1 . . . . 94 ASP CB . 18180 1 1128 . 1 1 94 94 ASP N N 15 116.781 0.3 . 1 . . . . 94 ASP N . 18180 1 1129 . 1 1 95 95 LEU H H 1 8.957 0.02 . 1 . . . . 95 LEU H . 18180 1 1130 . 1 1 95 95 LEU HA H 1 4.664 0.02 . 1 . . . . 95 LEU HA . 18180 1 1131 . 1 1 95 95 LEU HB2 H 1 1.560 0.02 . 2 . . . . 95 LEU HB2 . 18180 1 1132 . 1 1 95 95 LEU HB3 H 1 1.322 0.02 . 2 . . . . 95 LEU HB3 . 18180 1 1133 . 1 1 95 95 LEU HG H 1 1.915 0.02 . 1 . . . . 95 LEU HG . 18180 1 1134 . 1 1 95 95 LEU HD11 H 1 0.762 0.02 . 1 . . . . 95 LEU HD1 . 18180 1 1135 . 1 1 95 95 LEU HD12 H 1 0.762 0.02 . 1 . . . . 95 LEU HD1 . 18180 1 1136 . 1 1 95 95 LEU HD13 H 1 0.762 0.02 . 1 . . . . 95 LEU HD1 . 18180 1 1137 . 1 1 95 95 LEU HD21 H 1 1.202 0.02 . 1 . . . . 95 LEU HD2 . 18180 1 1138 . 1 1 95 95 LEU HD22 H 1 1.202 0.02 . 1 . . . . 95 LEU HD2 . 18180 1 1139 . 1 1 95 95 LEU HD23 H 1 1.202 0.02 . 1 . . . . 95 LEU HD2 . 18180 1 1140 . 1 1 95 95 LEU C C 13 176.458 0.3 . 1 . . . . 95 LEU C . 18180 1 1141 . 1 1 95 95 LEU CA C 13 53.690 0.3 . 1 . . . . 95 LEU CA . 18180 1 1142 . 1 1 95 95 LEU CB C 13 48.061 0.3 . 1 . . . . 95 LEU CB . 18180 1 1143 . 1 1 95 95 LEU CG C 13 26.770 0.3 . 1 . . . . 95 LEU CG . 18180 1 1144 . 1 1 95 95 LEU CD1 C 13 26.095 0.3 . 1 . . . . 95 LEU CD1 . 18180 1 1145 . 1 1 95 95 LEU CD2 C 13 24.092 0.3 . 1 . . . . 95 LEU CD2 . 18180 1 1146 . 1 1 95 95 LEU N N 15 116.025 0.3 . 1 . . . . 95 LEU N . 18180 1 1147 . 1 1 96 96 HIS H H 1 9.813 0.02 . 1 . . . . 96 HIS H . 18180 1 1148 . 1 1 96 96 HIS HA H 1 4.620 0.02 . 1 . . . . 96 HIS HA . 18180 1 1149 . 1 1 96 96 HIS HB2 H 1 1.908 0.02 . 2 . . . . 96 HIS HB2 . 18180 1 1150 . 1 1 96 96 HIS HB3 H 1 2.970 0.02 . 2 . . . . 96 HIS HB3 . 18180 1 1151 . 1 1 96 96 HIS HD2 H 1 6.866 0.02 . 1 . . . . 96 HIS HD2 . 18180 1 1152 . 1 1 96 96 HIS HE1 H 1 8.099 0.02 . 1 . . . . 96 HIS HE1 . 18180 1 1153 . 1 1 96 96 HIS C C 13 172.980 0.3 . 1 . . . . 96 HIS C . 18180 1 1154 . 1 1 96 96 HIS CA C 13 55.490 0.3 . 1 . . . . 96 HIS CA . 18180 1 1155 . 1 1 96 96 HIS CB C 13 31.547 0.3 . 1 . . . . 96 HIS CB . 18180 1 1156 . 1 1 96 96 HIS CD2 C 13 118.704 0.3 . 1 . . . . 96 HIS CD2 . 18180 1 1157 . 1 1 96 96 HIS CE1 C 13 137.762 0.3 . 1 . . . . 96 HIS CE1 . 18180 1 1158 . 1 1 96 96 HIS N N 15 122.717 0.3 . 1 . . . . 96 HIS N . 18180 1 1159 . 1 1 96 96 HIS ND1 N 15 210.888 0.3 . 1 . . . . 96 HIS ND1 . 18180 1 1160 . 1 1 96 96 HIS NE2 N 15 178.385 0.3 . 1 . . . . 96 HIS NE2 . 18180 1 1161 . 1 1 97 97 ALA H H 1 8.724 0.02 . 1 . . . . 97 ALA H . 18180 1 1162 . 1 1 97 97 ALA HA H 1 4.958 0.02 . 1 . . . . 97 ALA HA . 18180 1 1163 . 1 1 97 97 ALA HB1 H 1 1.155 0.02 . 1 . . . . 97 ALA HB . 18180 1 1164 . 1 1 97 97 ALA HB2 H 1 1.155 0.02 . 1 . . . . 97 ALA HB . 18180 1 1165 . 1 1 97 97 ALA HB3 H 1 1.155 0.02 . 1 . . . . 97 ALA HB . 18180 1 1166 . 1 1 97 97 ALA C C 13 176.903 0.3 . 1 . . . . 97 ALA C . 18180 1 1167 . 1 1 97 97 ALA CA C 13 49.499 0.3 . 1 . . . . 97 ALA CA . 18180 1 1168 . 1 1 97 97 ALA CB C 13 23.794 0.3 . 1 . . . . 97 ALA CB . 18180 1 1169 . 1 1 97 97 ALA N N 15 122.115 0.3 . 1 . . . . 97 ALA N . 18180 1 1170 . 1 1 98 98 PHE H H 1 9.283 0.02 . 1 . . . . 98 PHE H . 18180 1 1171 . 1 1 98 98 PHE HA H 1 6.374 0.02 . 1 . . . . 98 PHE HA . 18180 1 1172 . 1 1 98 98 PHE HB2 H 1 3.570 0.02 . 2 . . . . 98 PHE HB2 . 18180 1 1173 . 1 1 98 98 PHE HB3 H 1 2.868 0.02 . 2 . . . . 98 PHE HB3 . 18180 1 1174 . 1 1 98 98 PHE HD1 H 1 7.084 0.02 . 3 . . . . 98 PHE HD1 . 18180 1 1175 . 1 1 98 98 PHE HD2 H 1 7.082 0.02 . 3 . . . . 98 PHE HD2 . 18180 1 1176 . 1 1 98 98 PHE HE1 H 1 7.109 0.02 . 3 . . . . 98 PHE HE1 . 18180 1 1177 . 1 1 98 98 PHE HE2 H 1 7.109 0.02 . 3 . . . . 98 PHE HE2 . 18180 1 1178 . 1 1 98 98 PHE HZ H 1 7.085 0.02 . 1 . . . . 98 PHE HZ . 18180 1 1179 . 1 1 98 98 PHE C C 13 175.877 0.3 . 1 . . . . 98 PHE C . 18180 1 1180 . 1 1 98 98 PHE CA C 13 56.880 0.3 . 1 . . . . 98 PHE CA . 18180 1 1181 . 1 1 98 98 PHE CB C 13 44.915 0.3 . 1 . . . . 98 PHE CB . 18180 1 1182 . 1 1 98 98 PHE CD1 C 13 131.523 0.3 . 3 . . . . 98 PHE CD1 . 18180 1 1183 . 1 1 98 98 PHE CD2 C 13 131.538 0.3 . 3 . . . . 98 PHE CD2 . 18180 1 1184 . 1 1 98 98 PHE CE1 C 13 131.809 0.3 . 3 . . . . 98 PHE CE1 . 18180 1 1185 . 1 1 98 98 PHE CE2 C 13 131.809 0.3 . 3 . . . . 98 PHE CE2 . 18180 1 1186 . 1 1 98 98 PHE CZ C 13 130.406 0.3 . 1 . . . . 98 PHE CZ . 18180 1 1187 . 1 1 98 98 PHE N N 15 118.605 0.3 . 1 . . . . 98 PHE N . 18180 1 1188 . 1 1 99 99 ARG H H 1 9.213 0.02 . 1 . . . . 99 ARG H . 18180 1 1189 . 1 1 99 99 ARG HA H 1 4.927 0.02 . 1 . . . . 99 ARG HA . 18180 1 1190 . 1 1 99 99 ARG HB2 H 1 2.144 0.02 . 2 . . . . 99 ARG HB2 . 18180 1 1191 . 1 1 99 99 ARG HB3 H 1 1.846 0.02 . 2 . . . . 99 ARG HB3 . 18180 1 1192 . 1 1 99 99 ARG HG2 H 1 2.216 0.02 . 2 . . . . 99 ARG HG2 . 18180 1 1193 . 1 1 99 99 ARG HG3 H 1 1.845 0.02 . 2 . . . . 99 ARG HG3 . 18180 1 1194 . 1 1 99 99 ARG HD2 H 1 3.476 0.02 . 2 . . . . 99 ARG HD2 . 18180 1 1195 . 1 1 99 99 ARG HD3 H 1 3.294 0.02 . 2 . . . . 99 ARG HD3 . 18180 1 1196 . 1 1 99 99 ARG HE H 1 7.180 0.02 . 1 . . . . 99 ARG HE . 18180 1 1197 . 1 1 99 99 ARG C C 13 176.148 0.3 . 1 . . . . 99 ARG C . 18180 1 1198 . 1 1 99 99 ARG CA C 13 57.055 0.3 . 1 . . . . 99 ARG CA . 18180 1 1199 . 1 1 99 99 ARG CB C 13 34.898 0.3 . 1 . . . . 99 ARG CB . 18180 1 1200 . 1 1 99 99 ARG CG C 13 27.917 0.3 . 1 . . . . 99 ARG CG . 18180 1 1201 . 1 1 99 99 ARG CD C 13 43.693 0.3 . 1 . . . . 99 ARG CD . 18180 1 1202 . 1 1 99 99 ARG N N 15 118.648 0.3 . 1 . . . . 99 ARG N . 18180 1 1203 . 1 1 99 99 ARG NE N 15 86.391 0.3 . 1 . . . . 99 ARG NE . 18180 1 1204 . 1 1 100 100 GLN H H 1 9.758 0.02 . 1 . . . . 100 GLN H . 18180 1 1205 . 1 1 100 100 GLN HA H 1 3.977 0.02 . 1 . . . . 100 GLN HA . 18180 1 1206 . 1 1 100 100 GLN HB2 H 1 2.105 0.02 . 2 . . . . 100 GLN HB2 . 18180 1 1207 . 1 1 100 100 GLN HB3 H 1 1.871 0.02 . 2 . . . . 100 GLN HB3 . 18180 1 1208 . 1 1 100 100 GLN HG2 H 1 2.002 0.02 . 2 . . . . 100 GLN HG2 . 18180 1 1209 . 1 1 100 100 GLN HG3 H 1 1.668 0.02 . 2 . . . . 100 GLN HG3 . 18180 1 1210 . 1 1 100 100 GLN HE21 H 1 6.966 0.02 . 2 . . . . 100 GLN HE21 . 18180 1 1211 . 1 1 100 100 GLN HE22 H 1 6.834 0.02 . 2 . . . . 100 GLN HE22 . 18180 1 1212 . 1 1 100 100 GLN C C 13 177.603 0.3 . 1 . . . . 100 GLN C . 18180 1 1213 . 1 1 100 100 GLN CA C 13 58.087 0.3 . 1 . . . . 100 GLN CA . 18180 1 1214 . 1 1 100 100 GLN CB C 13 29.319 0.3 . 1 . . . . 100 GLN CB . 18180 1 1215 . 1 1 100 100 GLN CG C 13 35.408 0.3 . 1 . . . . 100 GLN CG . 18180 1 1216 . 1 1 100 100 GLN N N 15 126.920 0.3 . 1 . . . . 100 GLN N . 18180 1 1217 . 1 1 100 100 GLN NE2 N 15 111.802 0.3 . 1 . . . . 100 GLN NE2 . 18180 1 1218 . 1 1 101 101 ALA H H 1 8.858 0.02 . 1 . . . . 101 ALA H . 18180 1 1219 . 1 1 101 101 ALA HA H 1 4.018 0.02 . 1 . . . . 101 ALA HA . 18180 1 1220 . 1 1 101 101 ALA HB1 H 1 1.380 0.02 . 1 . . . . 101 ALA HB . 18180 1 1221 . 1 1 101 101 ALA HB2 H 1 1.380 0.02 . 1 . . . . 101 ALA HB . 18180 1 1222 . 1 1 101 101 ALA HB3 H 1 1.380 0.02 . 1 . . . . 101 ALA HB . 18180 1 1223 . 1 1 101 101 ALA C C 13 178.636 0.3 . 1 . . . . 101 ALA C . 18180 1 1224 . 1 1 101 101 ALA CA C 13 54.963 0.3 . 1 . . . . 101 ALA CA . 18180 1 1225 . 1 1 101 101 ALA CB C 13 18.333 0.3 . 1 . . . . 101 ALA CB . 18180 1 1226 . 1 1 101 101 ALA N N 15 125.253 0.3 . 1 . . . . 101 ALA N . 18180 1 1227 . 1 1 102 102 ALA H H 1 8.167 0.02 . 1 . . . . 102 ALA H . 18180 1 1228 . 1 1 102 102 ALA HA H 1 4.278 0.02 . 1 . . . . 102 ALA HA . 18180 1 1229 . 1 1 102 102 ALA HB1 H 1 1.393 0.02 . 1 . . . . 102 ALA HB . 18180 1 1230 . 1 1 102 102 ALA HB2 H 1 1.393 0.02 . 1 . . . . 102 ALA HB . 18180 1 1231 . 1 1 102 102 ALA HB3 H 1 1.393 0.02 . 1 . . . . 102 ALA HB . 18180 1 1232 . 1 1 102 102 ALA C C 13 177.088 0.3 . 1 . . . . 102 ALA C . 18180 1 1233 . 1 1 102 102 ALA CA C 13 52.413 0.3 . 1 . . . . 102 ALA CA . 18180 1 1234 . 1 1 102 102 ALA CB C 13 18.481 0.3 . 1 . . . . 102 ALA CB . 18180 1 1235 . 1 1 102 102 ALA N N 15 117.031 0.3 . 1 . . . . 102 ALA N . 18180 1 1236 . 1 1 103 103 ASP H H 1 7.429 0.02 . 1 . . . . 103 ASP H . 18180 1 1237 . 1 1 103 103 ASP HA H 1 4.554 0.02 . 1 . . . . 103 ASP HA . 18180 1 1238 . 1 1 103 103 ASP HB2 H 1 3.110 0.02 . 2 . . . . 103 ASP HB2 . 18180 1 1239 . 1 1 103 103 ASP HB3 H 1 2.578 0.02 . 2 . . . . 103 ASP HB3 . 18180 1 1240 . 1 1 103 103 ASP C C 13 176.800 0.3 . 1 . . . . 103 ASP C . 18180 1 1241 . 1 1 103 103 ASP CA C 13 53.922 0.3 . 1 . . . . 103 ASP CA . 18180 1 1242 . 1 1 103 103 ASP CB C 13 41.550 0.3 . 1 . . . . 103 ASP CB . 18180 1 1243 . 1 1 103 103 ASP N N 15 119.296 0.3 . 1 . . . . 103 ASP N . 18180 1 1244 . 1 1 104 104 GLU H H 1 8.734 0.02 . 1 . . . . 104 GLU H . 18180 1 1245 . 1 1 104 104 GLU HA H 1 4.435 0.02 . 1 . . . . 104 GLU HA . 18180 1 1246 . 1 1 104 104 GLU HB2 H 1 2.274 0.02 . 2 . . . . 104 GLU HB2 . 18180 1 1247 . 1 1 104 104 GLU HB3 H 1 1.895 0.02 . 2 . . . . 104 GLU HB3 . 18180 1 1248 . 1 1 104 104 GLU HG2 H 1 2.353 0.02 . 2 . . . . 104 GLU HG2 . 18180 1 1249 . 1 1 104 104 GLU HG3 H 1 2.236 0.02 . 2 . . . . 104 GLU HG3 . 18180 1 1250 . 1 1 104 104 GLU C C 13 177.035 0.3 . 1 . . . . 104 GLU C . 18180 1 1251 . 1 1 104 104 GLU CA C 13 56.248 0.3 . 1 . . . . 104 GLU CA . 18180 1 1252 . 1 1 104 104 GLU CB C 13 29.420 0.3 . 1 . . . . 104 GLU CB . 18180 1 1253 . 1 1 104 104 GLU CG C 13 36.010 0.3 . 1 . . . . 104 GLU CG . 18180 1 1254 . 1 1 104 104 GLU N N 15 125.549 0.3 . 1 . . . . 104 GLU N . 18180 1 1255 . 1 1 105 105 SER H H 1 8.560 0.02 . 1 . . . . 105 SER H . 18180 1 1256 . 1 1 105 105 SER HA H 1 4.531 0.02 . 1 . . . . 105 SER HA . 18180 1 1257 . 1 1 105 105 SER HB2 H 1 4.269 0.02 . 2 . . . . 105 SER HB2 . 18180 1 1258 . 1 1 105 105 SER HB3 H 1 4.008 0.02 . 2 . . . . 105 SER HB3 . 18180 1 1259 . 1 1 105 105 SER C C 13 173.872 0.3 . 1 . . . . 105 SER C . 18180 1 1260 . 1 1 105 105 SER CA C 13 58.623 0.3 . 1 . . . . 105 SER CA . 18180 1 1261 . 1 1 105 105 SER CB C 13 64.775 0.3 . 1 . . . . 105 SER CB . 18180 1 1262 . 1 1 105 105 SER N N 15 118.517 0.3 . 1 . . . . 105 SER N . 18180 1 1263 . 1 1 106 106 ARG H H 1 8.639 0.02 . 1 . . . . 106 ARG H . 18180 1 1264 . 1 1 106 106 ARG HA H 1 4.397 0.02 . 1 . . . . 106 ARG HA . 18180 1 1265 . 1 1 106 106 ARG HB2 H 1 1.933 0.02 . 2 . . . . 106 ARG HB2 . 18180 1 1266 . 1 1 106 106 ARG HB3 H 1 1.745 0.02 . 2 . . . . 106 ARG HB3 . 18180 1 1267 . 1 1 106 106 ARG HG2 H 1 1.689 0.02 . 2 . . . . 106 ARG HG2 . 18180 1 1268 . 1 1 106 106 ARG HG3 H 1 1.569 0.02 . 2 . . . . 106 ARG HG3 . 18180 1 1269 . 1 1 106 106 ARG HD2 H 1 2.991 0.02 . 2 . . . . 106 ARG HD2 . 18180 1 1270 . 1 1 106 106 ARG HD3 H 1 2.991 0.02 . 2 . . . . 106 ARG HD3 . 18180 1 1271 . 1 1 106 106 ARG HE H 1 7.154 0.02 . 1 . . . . 106 ARG HE . 18180 1 1272 . 1 1 106 106 ARG C C 13 176.647 0.3 . 1 . . . . 106 ARG C . 18180 1 1273 . 1 1 106 106 ARG CA C 13 55.857 0.3 . 1 . . . . 106 ARG CA . 18180 1 1274 . 1 1 106 106 ARG CB C 13 30.504 0.3 . 1 . . . . 106 ARG CB . 18180 1 1275 . 1 1 106 106 ARG CG C 13 27.953 0.3 . 1 . . . . 106 ARG CG . 18180 1 1276 . 1 1 106 106 ARG CD C 13 43.690 0.3 . 1 . . . . 106 ARG CD . 18180 1 1277 . 1 1 106 106 ARG N N 15 116.429 0.3 . 1 . . . . 106 ARG N . 18180 1 1278 . 1 1 106 106 ARG NE N 15 85.023 0.3 . 1 . . . . 106 ARG NE . 18180 1 1279 . 1 1 107 107 THR H H 1 7.835 0.02 . 1 . . . . 107 THR H . 18180 1 1280 . 1 1 107 107 THR HA H 1 4.255 0.02 . 1 . . . . 107 THR HA . 18180 1 1281 . 1 1 107 107 THR HB H 1 4.002 0.02 . 1 . . . . 107 THR HB . 18180 1 1282 . 1 1 107 107 THR HG21 H 1 1.267 0.02 . 1 . . . . 107 THR HG2 . 18180 1 1283 . 1 1 107 107 THR HG22 H 1 1.267 0.02 . 1 . . . . 107 THR HG2 . 18180 1 1284 . 1 1 107 107 THR HG23 H 1 1.267 0.02 . 1 . . . . 107 THR HG2 . 18180 1 1285 . 1 1 107 107 THR C C 13 174.742 0.3 . 1 . . . . 107 THR C . 18180 1 1286 . 1 1 107 107 THR CA C 13 64.726 0.3 . 1 . . . . 107 THR CA . 18180 1 1287 . 1 1 107 107 THR CB C 13 69.914 0.3 . 1 . . . . 107 THR CB . 18180 1 1288 . 1 1 107 107 THR CG2 C 13 21.913 0.3 . 1 . . . . 107 THR CG2 . 18180 1 1289 . 1 1 107 107 THR N N 15 115.187 0.3 . 1 . . . . 107 THR N . 18180 1 1290 . 1 1 108 108 LEU H H 1 9.108 0.02 . 1 . . . . 108 LEU H . 18180 1 1291 . 1 1 108 108 LEU HA H 1 4.807 0.02 . 1 . . . . 108 LEU HA . 18180 1 1292 . 1 1 108 108 LEU HB2 H 1 1.931 0.02 . 2 . . . . 108 LEU HB2 . 18180 1 1293 . 1 1 108 108 LEU HB3 H 1 1.047 0.02 . 2 . . . . 108 LEU HB3 . 18180 1 1294 . 1 1 108 108 LEU HG H 1 1.761 0.02 . 1 . . . . 108 LEU HG . 18180 1 1295 . 1 1 108 108 LEU HD11 H 1 0.646 0.02 . 1 . . . . 108 LEU HD1 . 18180 1 1296 . 1 1 108 108 LEU HD12 H 1 0.646 0.02 . 1 . . . . 108 LEU HD1 . 18180 1 1297 . 1 1 108 108 LEU HD13 H 1 0.646 0.02 . 1 . . . . 108 LEU HD1 . 18180 1 1298 . 1 1 108 108 LEU HD21 H 1 0.694 0.02 . 1 . . . . 108 LEU HD2 . 18180 1 1299 . 1 1 108 108 LEU HD22 H 1 0.694 0.02 . 1 . . . . 108 LEU HD2 . 18180 1 1300 . 1 1 108 108 LEU HD23 H 1 0.694 0.02 . 1 . . . . 108 LEU HD2 . 18180 1 1301 . 1 1 108 108 LEU C C 13 174.606 0.3 . 1 . . . . 108 LEU C . 18180 1 1302 . 1 1 108 108 LEU CA C 13 53.522 0.3 . 1 . . . . 108 LEU CA . 18180 1 1303 . 1 1 108 108 LEU CB C 13 44.700 0.3 . 1 . . . . 108 LEU CB . 18180 1 1304 . 1 1 108 108 LEU CG C 13 26.149 0.3 . 1 . . . . 108 LEU CG . 18180 1 1305 . 1 1 108 108 LEU CD1 C 13 25.206 0.3 . 1 . . . . 108 LEU CD1 . 18180 1 1306 . 1 1 108 108 LEU CD2 C 13 23.973 0.3 . 1 . . . . 108 LEU CD2 . 18180 1 1307 . 1 1 108 108 LEU N N 15 124.762 0.3 . 1 . . . . 108 LEU N . 18180 1 1308 . 1 1 109 109 PHE H H 1 9.333 0.02 . 1 . . . . 109 PHE H . 18180 1 1309 . 1 1 109 109 PHE HA H 1 5.247 0.02 . 1 . . . . 109 PHE HA . 18180 1 1310 . 1 1 109 109 PHE HB2 H 1 3.504 0.02 . 2 . . . . 109 PHE HB2 . 18180 1 1311 . 1 1 109 109 PHE HB3 H 1 3.186 0.02 . 2 . . . . 109 PHE HB3 . 18180 1 1312 . 1 1 109 109 PHE HD1 H 1 6.865 0.02 . 3 . . . . 109 PHE HD1 . 18180 1 1313 . 1 1 109 109 PHE HD2 H 1 6.865 0.02 . 3 . . . . 109 PHE HD2 . 18180 1 1314 . 1 1 109 109 PHE HE1 H 1 5.964 0.02 . 3 . . . . 109 PHE HE1 . 18180 1 1315 . 1 1 109 109 PHE HE2 H 1 5.964 0.02 . 3 . . . . 109 PHE HE2 . 18180 1 1316 . 1 1 109 109 PHE HZ H 1 6.262 0.02 . 1 . . . . 109 PHE HZ . 18180 1 1317 . 1 1 109 109 PHE C C 13 175.472 0.3 . 1 . . . . 109 PHE C . 18180 1 1318 . 1 1 109 109 PHE CA C 13 55.950 0.3 . 1 . . . . 109 PHE CA . 18180 1 1319 . 1 1 109 109 PHE CB C 13 39.879 0.3 . 1 . . . . 109 PHE CB . 18180 1 1320 . 1 1 109 109 PHE CD1 C 13 131.553 0.3 . 3 . . . . 109 PHE CD1 . 18180 1 1321 . 1 1 109 109 PHE CD2 C 13 131.553 0.3 . 3 . . . . 109 PHE CD2 . 18180 1 1322 . 1 1 109 109 PHE CE1 C 13 129.963 0.3 . 3 . . . . 109 PHE CE1 . 18180 1 1323 . 1 1 109 109 PHE CE2 C 13 129.963 0.3 . 3 . . . . 109 PHE CE2 . 18180 1 1324 . 1 1 109 109 PHE CZ C 13 129.023 0.3 . 1 . . . . 109 PHE CZ . 18180 1 1325 . 1 1 109 109 PHE N N 15 125.006 0.3 . 1 . . . . 109 PHE N . 18180 1 1326 . 1 1 110 110 VAL H H 1 8.778 0.02 . 1 . . . . 110 VAL H . 18180 1 1327 . 1 1 110 110 VAL HA H 1 4.569 0.02 . 1 . . . . 110 VAL HA . 18180 1 1328 . 1 1 110 110 VAL HB H 1 2.130 0.02 . 1 . . . . 110 VAL HB . 18180 1 1329 . 1 1 110 110 VAL HG11 H 1 0.752 0.02 . 1 . . . . 110 VAL HG1 . 18180 1 1330 . 1 1 110 110 VAL HG12 H 1 0.752 0.02 . 1 . . . . 110 VAL HG1 . 18180 1 1331 . 1 1 110 110 VAL HG13 H 1 0.752 0.02 . 1 . . . . 110 VAL HG1 . 18180 1 1332 . 1 1 110 110 VAL HG21 H 1 0.630 0.02 . 1 . . . . 110 VAL HG2 . 18180 1 1333 . 1 1 110 110 VAL HG22 H 1 0.630 0.02 . 1 . . . . 110 VAL HG2 . 18180 1 1334 . 1 1 110 110 VAL HG23 H 1 0.630 0.02 . 1 . . . . 110 VAL HG2 . 18180 1 1335 . 1 1 110 110 VAL C C 13 172.157 0.3 . 1 . . . . 110 VAL C . 18180 1 1336 . 1 1 110 110 VAL CA C 13 59.334 0.3 . 1 . . . . 110 VAL CA . 18180 1 1337 . 1 1 110 110 VAL CB C 13 32.661 0.3 . 1 . . . . 110 VAL CB . 18180 1 1338 . 1 1 110 110 VAL CG1 C 13 23.605 0.3 . 1 . . . . 110 VAL CG1 . 18180 1 1339 . 1 1 110 110 VAL CG2 C 13 19.810 0.3 . 1 . . . . 110 VAL CG2 . 18180 1 1340 . 1 1 110 110 VAL N N 15 127.815 0.3 . 1 . . . . 110 VAL N . 18180 1 1341 . 1 1 111 111 PRO HA H 1 5.645 0.02 . 1 . . . . 111 PRO HA . 18180 1 1342 . 1 1 111 111 PRO HG2 H 1 1.930 0.02 . 2 . . . . 111 PRO HG2 . 18180 1 1343 . 1 1 111 111 PRO HG3 H 1 1.920 0.02 . 2 . . . . 111 PRO HG3 . 18180 1 1344 . 1 1 111 111 PRO HD2 H 1 3.633 0.02 . 2 . . . . 111 PRO HD2 . 18180 1 1345 . 1 1 111 111 PRO HD3 H 1 1.843 0.02 . 2 . . . . 111 PRO HD3 . 18180 1 1346 . 1 1 111 111 PRO C C 13 176.999 0.3 . 1 . . . . 111 PRO C . 18180 1 1347 . 1 1 111 111 PRO CA C 13 61.325 0.3 . 1 . . . . 111 PRO CA . 18180 1 1348 . 1 1 111 111 PRO CG C 13 27.140 0.3 . 1 . . . . 111 PRO CG . 18180 1 1349 . 1 1 111 111 PRO CD C 13 48.610 0.3 . 1 . . . . 111 PRO CD . 18180 1 1350 . 1 1 112 112 PHE H H 1 10.164 0.02 . 1 . . . . 112 PHE H . 18180 1 1351 . 1 1 112 112 PHE HA H 1 5.580 0.02 . 1 . . . . 112 PHE HA . 18180 1 1352 . 1 1 112 112 PHE HB2 H 1 3.292 0.02 . 2 . . . . 112 PHE HB2 . 18180 1 1353 . 1 1 112 112 PHE HB3 H 1 3.588 0.02 . 2 . . . . 112 PHE HB3 . 18180 1 1354 . 1 1 112 112 PHE HD1 H 1 7.349 0.02 . 3 . . . . 112 PHE HD1 . 18180 1 1355 . 1 1 112 112 PHE HD2 H 1 7.347 0.02 . 3 . . . . 112 PHE HD2 . 18180 1 1356 . 1 1 112 112 PHE HE1 H 1 7.228 0.02 . 3 . . . . 112 PHE HE1 . 18180 1 1357 . 1 1 112 112 PHE HE2 H 1 7.227 0.02 . 3 . . . . 112 PHE HE2 . 18180 1 1358 . 1 1 112 112 PHE HZ H 1 7.111 0.02 . 1 . . . . 112 PHE HZ . 18180 1 1359 . 1 1 112 112 PHE C C 13 173.130 0.3 . 1 . . . . 112 PHE C . 18180 1 1360 . 1 1 112 112 PHE CA C 13 57.749 0.3 . 1 . . . . 112 PHE CA . 18180 1 1361 . 1 1 112 112 PHE CB C 13 41.709 0.3 . 1 . . . . 112 PHE CB . 18180 1 1362 . 1 1 112 112 PHE CD1 C 13 132.439 0.3 . 3 . . . . 112 PHE CD1 . 18180 1 1363 . 1 1 112 112 PHE CD2 C 13 132.406 0.3 . 3 . . . . 112 PHE CD2 . 18180 1 1364 . 1 1 112 112 PHE CE1 C 13 131.540 0.3 . 3 . . . . 112 PHE CE1 . 18180 1 1365 . 1 1 112 112 PHE CE2 C 13 131.535 0.3 . 3 . . . . 112 PHE CE2 . 18180 1 1366 . 1 1 112 112 PHE CZ C 13 128.612 0.3 . 1 . . . . 112 PHE CZ . 18180 1 1367 . 1 1 112 112 PHE N N 15 120.205 0.3 . 1 . . . . 112 PHE N . 18180 1 1368 . 1 1 113 113 ARG H H 1 8.643 0.02 . 1 . . . . 113 ARG H . 18180 1 1369 . 1 1 113 113 ARG HA H 1 4.786 0.02 . 1 . . . . 113 ARG HA . 18180 1 1370 . 1 1 113 113 ARG HB2 H 1 1.794 0.02 . 2 . . . . 113 ARG HB2 . 18180 1 1371 . 1 1 113 113 ARG HB3 H 1 1.484 0.02 . 2 . . . . 113 ARG HB3 . 18180 1 1372 . 1 1 113 113 ARG HG2 H 1 1.370 0.02 . 2 . . . . 113 ARG HG2 . 18180 1 1373 . 1 1 113 113 ARG HG3 H 1 1.342 0.02 . 2 . . . . 113 ARG HG3 . 18180 1 1374 . 1 1 113 113 ARG HD2 H 1 2.153 0.02 . 2 . . . . 113 ARG HD2 . 18180 1 1375 . 1 1 113 113 ARG HD3 H 1 1.978 0.02 . 2 . . . . 113 ARG HD3 . 18180 1 1376 . 1 1 113 113 ARG HE H 1 6.354 0.02 . 1 . . . . 113 ARG HE . 18180 1 1377 . 1 1 113 113 ARG C C 13 174.542 0.3 . 1 . . . . 113 ARG C . 18180 1 1378 . 1 1 113 113 ARG CA C 13 54.908 0.3 . 1 . . . . 113 ARG CA . 18180 1 1379 . 1 1 113 113 ARG CB C 13 35.219 0.3 . 1 . . . . 113 ARG CB . 18180 1 1380 . 1 1 113 113 ARG CG C 13 28.818 0.3 . 1 . . . . 113 ARG CG . 18180 1 1381 . 1 1 113 113 ARG CD C 13 42.578 0.3 . 1 . . . . 113 ARG CD . 18180 1 1382 . 1 1 113 113 ARG N N 15 117.652 0.3 . 1 . . . . 113 ARG N . 18180 1 1383 . 1 1 113 113 ARG NE N 15 82.562 0.3 . 1 . . . . 113 ARG NE . 18180 1 1384 . 1 1 114 114 ASP H H 1 9.263 0.02 . 1 . . . . 114 ASP H . 18180 1 1385 . 1 1 114 114 ASP HA H 1 5.702 0.02 . 1 . . . . 114 ASP HA . 18180 1 1386 . 1 1 114 114 ASP HB2 H 1 3.781 0.02 . 2 . . . . 114 ASP HB2 . 18180 1 1387 . 1 1 114 114 ASP HB3 H 1 2.811 0.02 . 2 . . . . 114 ASP HB3 . 18180 1 1388 . 1 1 114 114 ASP C C 13 176.203 0.3 . 1 . . . . 114 ASP C . 18180 1 1389 . 1 1 114 114 ASP CA C 13 54.563 0.3 . 1 . . . . 114 ASP CA . 18180 1 1390 . 1 1 114 114 ASP CB C 13 42.748 0.3 . 1 . . . . 114 ASP CB . 18180 1 1391 . 1 1 114 114 ASP N N 15 118.871 0.3 . 1 . . . . 114 ASP N . 18180 1 1392 . 1 1 115 115 LYS H H 1 8.638 0.02 . 1 . . . . 115 LYS H . 18180 1 1393 . 1 1 115 115 LYS HA H 1 4.306 0.02 . 1 . . . . 115 LYS HA . 18180 1 1394 . 1 1 115 115 LYS HB2 H 1 2.001 0.02 . 2 . . . . 115 LYS HB2 . 18180 1 1395 . 1 1 115 115 LYS HB3 H 1 1.248 0.02 . 2 . . . . 115 LYS HB3 . 18180 1 1396 . 1 1 115 115 LYS HG2 H 1 1.438 0.02 . 2 . . . . 115 LYS HG2 . 18180 1 1397 . 1 1 115 115 LYS HG3 H 1 1.453 0.02 . 2 . . . . 115 LYS HG3 . 18180 1 1398 . 1 1 115 115 LYS HD2 H 1 1.634 0.02 . 2 . . . . 115 LYS HD2 . 18180 1 1399 . 1 1 115 115 LYS HD3 H 1 1.634 0.02 . 2 . . . . 115 LYS HD3 . 18180 1 1400 . 1 1 115 115 LYS HE2 H 1 2.899 0.02 . 2 . . . . 115 LYS HE2 . 18180 1 1401 . 1 1 115 115 LYS HE3 H 1 2.955 0.02 . 2 . . . . 115 LYS HE3 . 18180 1 1402 . 1 1 115 115 LYS C C 13 178.794 0.3 . 1 . . . . 115 LYS C . 18180 1 1403 . 1 1 115 115 LYS CA C 13 59.335 0.3 . 1 . . . . 115 LYS CA . 18180 1 1404 . 1 1 115 115 LYS CB C 13 31.713 0.3 . 1 . . . . 115 LYS CB . 18180 1 1405 . 1 1 115 115 LYS CG C 13 25.812 0.3 . 1 . . . . 115 LYS CG . 18180 1 1406 . 1 1 115 115 LYS CD C 13 28.900 0.3 . 1 . . . . 115 LYS CD . 18180 1 1407 . 1 1 115 115 LYS CE C 13 41.749 0.3 . 1 . . . . 115 LYS CE . 18180 1 1408 . 1 1 115 115 LYS N N 15 120.153 0.3 . 1 . . . . 115 LYS N . 18180 1 1409 . 1 1 116 116 THR H H 1 9.478 0.02 . 1 . . . . 116 THR H . 18180 1 1410 . 1 1 116 116 THR HA H 1 4.542 0.02 . 1 . . . . 116 THR HA . 18180 1 1411 . 1 1 116 116 THR HB H 1 4.379 0.02 . 1 . . . . 116 THR HB . 18180 1 1412 . 1 1 116 116 THR HG21 H 1 1.130 0.02 . 1 . . . . 116 THR HG2 . 18180 1 1413 . 1 1 116 116 THR HG22 H 1 1.130 0.02 . 1 . . . . 116 THR HG2 . 18180 1 1414 . 1 1 116 116 THR HG23 H 1 1.130 0.02 . 1 . . . . 116 THR HG2 . 18180 1 1415 . 1 1 116 116 THR C C 13 177.866 0.3 . 1 . . . . 116 THR C . 18180 1 1416 . 1 1 116 116 THR CA C 13 63.822 0.3 . 1 . . . . 116 THR CA . 18180 1 1417 . 1 1 116 116 THR CB C 13 71.289 0.3 . 1 . . . . 116 THR CB . 18180 1 1418 . 1 1 116 116 THR CG2 C 13 20.917 0.3 . 1 . . . . 116 THR CG2 . 18180 1 1419 . 1 1 116 116 THR N N 15 108.443 0.3 . 1 . . . . 116 THR N . 18180 1 1420 . 1 1 117 117 THR H H 1 8.144 0.02 . 1 . . . . 117 THR H . 18180 1 1421 . 1 1 117 117 THR HA H 1 3.670 0.02 . 1 . . . . 117 THR HA . 18180 1 1422 . 1 1 117 117 THR HB H 1 4.218 0.02 . 1 . . . . 117 THR HB . 18180 1 1423 . 1 1 117 117 THR HG21 H 1 1.116 0.02 . 1 . . . . 117 THR HG2 . 18180 1 1424 . 1 1 117 117 THR HG22 H 1 1.116 0.02 . 1 . . . . 117 THR HG2 . 18180 1 1425 . 1 1 117 117 THR HG23 H 1 1.116 0.02 . 1 . . . . 117 THR HG2 . 18180 1 1426 . 1 1 117 117 THR C C 13 176.517 0.3 . 1 . . . . 117 THR C . 18180 1 1427 . 1 1 117 117 THR CA C 13 65.597 0.3 . 1 . . . . 117 THR CA . 18180 1 1428 . 1 1 117 117 THR CB C 13 68.686 0.3 . 1 . . . . 117 THR CB . 18180 1 1429 . 1 1 117 117 THR CG2 C 13 22.725 0.3 . 1 . . . . 117 THR CG2 . 18180 1 1430 . 1 1 117 117 THR N N 15 126.677 0.3 . 1 . . . . 117 THR N . 18180 1 1431 . 1 1 118 118 GLY H H 1 8.088 0.02 . 1 . . . . 118 GLY H . 18180 1 1432 . 1 1 118 118 GLY HA2 H 1 4.319 0.02 . 2 . . . . 118 GLY HA2 . 18180 1 1433 . 1 1 118 118 GLY HA3 H 1 3.742 0.02 . 2 . . . . 118 GLY HA3 . 18180 1 1434 . 1 1 118 118 GLY C C 13 173.276 0.3 . 1 . . . . 118 GLY C . 18180 1 1435 . 1 1 118 118 GLY CA C 13 45.541 0.3 . 1 . . . . 118 GLY CA . 18180 1 1436 . 1 1 118 118 GLY N N 15 115.957 0.3 . 1 . . . . 118 GLY N . 18180 1 1437 . 1 1 119 119 GLN H H 1 8.264 0.02 . 1 . . . . 119 GLN H . 18180 1 1438 . 1 1 119 119 GLN HA H 1 4.551 0.02 . 1 . . . . 119 GLN HA . 18180 1 1439 . 1 1 119 119 GLN HB2 H 1 2.182 0.02 . 2 . . . . 119 GLN HB2 . 18180 1 1440 . 1 1 119 119 GLN HB3 H 1 1.868 0.02 . 2 . . . . 119 GLN HB3 . 18180 1 1441 . 1 1 119 119 GLN HG2 H 1 2.363 0.02 . 2 . . . . 119 GLN HG2 . 18180 1 1442 . 1 1 119 119 GLN HG3 H 1 2.198 0.02 . 2 . . . . 119 GLN HG3 . 18180 1 1443 . 1 1 119 119 GLN HE21 H 1 7.480 0.02 . 2 . . . . 119 GLN HE21 . 18180 1 1444 . 1 1 119 119 GLN HE22 H 1 6.791 0.02 . 2 . . . . 119 GLN HE22 . 18180 1 1445 . 1 1 119 119 GLN C C 13 175.548 0.3 . 1 . . . . 119 GLN C . 18180 1 1446 . 1 1 119 119 GLN CA C 13 56.480 0.3 . 1 . . . . 119 GLN CA . 18180 1 1447 . 1 1 119 119 GLN CB C 13 29.303 0.3 . 1 . . . . 119 GLN CB . 18180 1 1448 . 1 1 119 119 GLN CG C 13 33.271 0.3 . 1 . . . . 119 GLN CG . 18180 1 1449 . 1 1 119 119 GLN N N 15 119.592 0.3 . 1 . . . . 119 GLN N . 18180 1 1450 . 1 1 119 119 GLN NE2 N 15 112.218 0.3 . 1 . . . . 119 GLN NE2 . 18180 1 1451 . 1 1 120 120 GLN H H 1 8.577 0.02 . 1 . . . . 120 GLN H . 18180 1 1452 . 1 1 120 120 GLN HA H 1 4.512 0.02 . 1 . . . . 120 GLN HA . 18180 1 1453 . 1 1 120 120 GLN HB2 H 1 2.238 0.02 . 2 . . . . 120 GLN HB2 . 18180 1 1454 . 1 1 120 120 GLN HB3 H 1 2.062 0.02 . 2 . . . . 120 GLN HB3 . 18180 1 1455 . 1 1 120 120 GLN HG2 H 1 2.610 0.02 . 2 . . . . 120 GLN HG2 . 18180 1 1456 . 1 1 120 120 GLN HG3 H 1 2.402 0.02 . 2 . . . . 120 GLN HG3 . 18180 1 1457 . 1 1 120 120 GLN HE21 H 1 7.577 0.02 . 2 . . . . 120 GLN HE21 . 18180 1 1458 . 1 1 120 120 GLN HE22 H 1 6.792 0.02 . 2 . . . . 120 GLN HE22 . 18180 1 1459 . 1 1 120 120 GLN C C 13 175.211 0.3 . 1 . . . . 120 GLN C . 18180 1 1460 . 1 1 120 120 GLN CA C 13 57.118 0.3 . 1 . . . . 120 GLN CA . 18180 1 1461 . 1 1 120 120 GLN CB C 13 31.602 0.3 . 1 . . . . 120 GLN CB . 18180 1 1462 . 1 1 120 120 GLN CG C 13 34.285 0.3 . 1 . . . . 120 GLN CG . 18180 1 1463 . 1 1 120 120 GLN N N 15 115.843 0.3 . 1 . . . . 120 GLN N . 18180 1 1464 . 1 1 120 120 GLN NE2 N 15 110.618 0.3 . 1 . . . . 120 GLN NE2 . 18180 1 1465 . 1 1 121 121 SER H H 1 8.182 0.02 . 1 . . . . 121 SER H . 18180 1 1466 . 1 1 121 121 SER HA H 1 4.510 0.02 . 1 . . . . 121 SER HA . 18180 1 1467 . 1 1 121 121 SER HB2 H 1 3.864 0.02 . 2 . . . . 121 SER HB2 . 18180 1 1468 . 1 1 121 121 SER HB3 H 1 3.864 0.02 . 2 . . . . 121 SER HB3 . 18180 1 1469 . 1 1 121 121 SER CA C 13 57.641 0.3 . 1 . . . . 121 SER CA . 18180 1 1470 . 1 1 121 121 SER CB C 13 66.108 0.3 . 1 . . . . 121 SER CB . 18180 1 1471 . 1 1 121 121 SER N N 15 112.604 0.3 . 1 . . . . 121 SER N . 18180 1 1472 . 1 1 122 122 TYR HA H 1 4.297 0.02 . 1 . . . . 122 TYR HA . 18180 1 1473 . 1 1 122 122 TYR HB2 H 1 3.014 0.02 . 2 . . . . 122 TYR HB2 . 18180 1 1474 . 1 1 122 122 TYR HB3 H 1 3.065 0.02 . 2 . . . . 122 TYR HB3 . 18180 1 1475 . 1 1 122 122 TYR HD1 H 1 7.077 0.02 . 3 . . . . 122 TYR HD1 . 18180 1 1476 . 1 1 122 122 TYR HD2 H 1 7.077 0.02 . 3 . . . . 122 TYR HD2 . 18180 1 1477 . 1 1 122 122 TYR HE1 H 1 6.940 0.02 . 3 . . . . 122 TYR HE1 . 18180 1 1478 . 1 1 122 122 TYR HE2 H 1 6.940 0.02 . 3 . . . . 122 TYR HE2 . 18180 1 1479 . 1 1 122 122 TYR C C 13 177.851 0.3 . 1 . . . . 122 TYR C . 18180 1 1480 . 1 1 122 122 TYR CA C 13 59.424 0.3 . 1 . . . . 122 TYR CA . 18180 1 1481 . 1 1 122 122 TYR CB C 13 37.279 0.3 . 1 . . . . 122 TYR CB . 18180 1 1482 . 1 1 122 122 TYR CD1 C 13 131.755 0.3 . 3 . . . . 122 TYR CD1 . 18180 1 1483 . 1 1 122 122 TYR CD2 C 13 131.755 0.3 . 3 . . . . 122 TYR CD2 . 18180 1 1484 . 1 1 122 122 TYR CE1 C 13 118.127 0.3 . 3 . . . . 122 TYR CE1 . 18180 1 1485 . 1 1 122 122 TYR CE2 C 13 118.127 0.3 . 3 . . . . 122 TYR CE2 . 18180 1 1486 . 1 1 123 123 ASP H H 1 8.147 0.02 . 1 . . . . 123 ASP H . 18180 1 1487 . 1 1 123 123 ASP HA H 1 3.792 0.02 . 1 . . . . 123 ASP HA . 18180 1 1488 . 1 1 123 123 ASP HB2 H 1 2.322 0.02 . 2 . . . . 123 ASP HB2 . 18180 1 1489 . 1 1 123 123 ASP HB3 H 1 2.276 0.02 . 2 . . . . 123 ASP HB3 . 18180 1 1490 . 1 1 123 123 ASP C C 13 175.044 0.3 . 1 . . . . 123 ASP C . 18180 1 1491 . 1 1 123 123 ASP CA C 13 57.133 0.3 . 1 . . . . 123 ASP CA . 18180 1 1492 . 1 1 123 123 ASP CB C 13 40.753 0.3 . 1 . . . . 123 ASP CB . 18180 1 1493 . 1 1 123 123 ASP N N 15 127.469 0.3 . 1 . . . . 123 ASP N . 18180 1 1494 . 1 1 124 124 GLY H H 1 5.103 0.02 . 1 . . . . 124 GLY H . 18180 1 1495 . 1 1 124 124 GLY HA2 H 1 4.030 0.02 . 2 . . . . 124 GLY HA2 . 18180 1 1496 . 1 1 124 124 GLY HA3 H 1 3.257 0.02 . 2 . . . . 124 GLY HA3 . 18180 1 1497 . 1 1 124 124 GLY C C 13 173.655 0.3 . 1 . . . . 124 GLY C . 18180 1 1498 . 1 1 124 124 GLY CA C 13 44.719 0.3 . 1 . . . . 124 GLY CA . 18180 1 1499 . 1 1 124 124 GLY N N 15 102.183 0.3 . 1 . . . . 124 GLY N . 18180 1 1500 . 1 1 125 125 GLY H H 1 7.220 0.02 . 1 . . . . 125 GLY H . 18180 1 1501 . 1 1 125 125 GLY HA2 H 1 4.409 0.02 . 2 . . . . 125 GLY HA2 . 18180 1 1502 . 1 1 125 125 GLY HA3 H 1 3.652 0.02 . 2 . . . . 125 GLY HA3 . 18180 1 1503 . 1 1 125 125 GLY C C 13 170.957 0.3 . 1 . . . . 125 GLY C . 18180 1 1504 . 1 1 125 125 GLY CA C 13 43.514 0.3 . 1 . . . . 125 GLY CA . 18180 1 1505 . 1 1 125 125 GLY N N 15 107.456 0.3 . 1 . . . . 125 GLY N . 18180 1 1506 . 1 1 126 126 ARG H H 1 8.022 0.02 . 1 . . . . 126 ARG H . 18180 1 1507 . 1 1 126 126 ARG HA H 1 4.616 0.02 . 1 . . . . 126 ARG HA . 18180 1 1508 . 1 1 126 126 ARG HB2 H 1 1.789 0.02 . 2 . . . . 126 ARG HB2 . 18180 1 1509 . 1 1 126 126 ARG HB3 H 1 1.778 0.02 . 2 . . . . 126 ARG HB3 . 18180 1 1510 . 1 1 126 126 ARG HG2 H 1 1.580 0.02 . 2 . . . . 126 ARG HG2 . 18180 1 1511 . 1 1 126 126 ARG HG3 H 1 1.580 0.02 . 2 . . . . 126 ARG HG3 . 18180 1 1512 . 1 1 126 126 ARG HD2 H 1 3.137 0.02 . 2 . . . . 126 ARG HD2 . 18180 1 1513 . 1 1 126 126 ARG HD3 H 1 3.137 0.02 . 2 . . . . 126 ARG HD3 . 18180 1 1514 . 1 1 126 126 ARG HE H 1 7.232 0.02 . 1 . . . . 126 ARG HE . 18180 1 1515 . 1 1 126 126 ARG C C 13 174.541 0.3 . 1 . . . . 126 ARG C . 18180 1 1516 . 1 1 126 126 ARG CA C 13 54.489 0.3 . 1 . . . . 126 ARG CA . 18180 1 1517 . 1 1 126 126 ARG CB C 13 38.548 0.3 . 1 . . . . 126 ARG CB . 18180 1 1518 . 1 1 126 126 ARG CG C 13 27.310 0.3 . 1 . . . . 126 ARG CG . 18180 1 1519 . 1 1 126 126 ARG CD C 13 42.773 0.3 . 1 . . . . 126 ARG CD . 18180 1 1520 . 1 1 126 126 ARG N N 15 110.554 0.3 . 1 . . . . 126 ARG N . 18180 1 1521 . 1 1 126 126 ARG NE N 15 84.612 0.3 . 1 . . . . 126 ARG NE . 18180 1 1522 . 1 1 127 127 TYR H H 1 9.133 0.02 . 1 . . . . 127 TYR H . 18180 1 1523 . 1 1 127 127 TYR HA H 1 5.218 0.02 . 1 . . . . 127 TYR HA . 18180 1 1524 . 1 1 127 127 TYR HB2 H 1 2.910 0.02 . 2 . . . . 127 TYR HB2 . 18180 1 1525 . 1 1 127 127 TYR HB3 H 1 2.910 0.02 . 2 . . . . 127 TYR HB3 . 18180 1 1526 . 1 1 127 127 TYR HD1 H 1 7.067 0.02 . 3 . . . . 127 TYR HD1 . 18180 1 1527 . 1 1 127 127 TYR HD2 H 1 7.067 0.02 . 3 . . . . 127 TYR HD2 . 18180 1 1528 . 1 1 127 127 TYR HE1 H 1 6.778 0.02 . 3 . . . . 127 TYR HE1 . 18180 1 1529 . 1 1 127 127 TYR HE2 H 1 6.778 0.02 . 3 . . . . 127 TYR HE2 . 18180 1 1530 . 1 1 127 127 TYR C C 13 175.827 0.3 . 1 . . . . 127 TYR C . 18180 1 1531 . 1 1 127 127 TYR CA C 13 53.491 0.3 . 1 . . . . 127 TYR CA . 18180 1 1532 . 1 1 127 127 TYR CB C 13 40.237 0.3 . 1 . . . . 127 TYR CB . 18180 1 1533 . 1 1 127 127 TYR CD1 C 13 133.230 0.3 . 3 . . . . 127 TYR CD1 . 18180 1 1534 . 1 1 127 127 TYR CD2 C 13 133.230 0.3 . 3 . . . . 127 TYR CD2 . 18180 1 1535 . 1 1 127 127 TYR CE1 C 13 118.220 0.3 . 3 . . . . 127 TYR CE1 . 18180 1 1536 . 1 1 127 127 TYR CE2 C 13 118.220 0.3 . 3 . . . . 127 TYR CE2 . 18180 1 1537 . 1 1 127 127 TYR N N 15 117.592 0.3 . 1 . . . . 127 TYR N . 18180 1 1538 . 1 1 128 128 MET H H 1 7.440 0.02 . 1 . . . . 128 MET H . 18180 1 1539 . 1 1 128 128 MET HA H 1 4.903 0.02 . 1 . . . . 128 MET HA . 18180 1 1540 . 1 1 128 128 MET HB2 H 1 1.992 0.02 . 2 . . . . 128 MET HB2 . 18180 1 1541 . 1 1 128 128 MET HB3 H 1 1.704 0.02 . 2 . . . . 128 MET HB3 . 18180 1 1542 . 1 1 128 128 MET HG2 H 1 2.343 0.02 . 2 . . . . 128 MET HG2 . 18180 1 1543 . 1 1 128 128 MET HG3 H 1 2.343 0.02 . 2 . . . . 128 MET HG3 . 18180 1 1544 . 1 1 128 128 MET HE1 H 1 1.155 0.02 . 1 . . . . 128 MET HE . 18180 1 1545 . 1 1 128 128 MET HE2 H 1 1.155 0.02 . 1 . . . . 128 MET HE . 18180 1 1546 . 1 1 128 128 MET HE3 H 1 1.155 0.02 . 1 . . . . 128 MET HE . 18180 1 1547 . 1 1 128 128 MET C C 13 175.256 0.3 . 1 . . . . 128 MET C . 18180 1 1548 . 1 1 128 128 MET CA C 13 54.557 0.3 . 1 . . . . 128 MET CA . 18180 1 1549 . 1 1 128 128 MET CB C 13 35.815 0.3 . 1 . . . . 128 MET CB . 18180 1 1550 . 1 1 128 128 MET CG C 13 32.374 0.3 . 1 . . . . 128 MET CG . 18180 1 1551 . 1 1 128 128 MET CE C 13 16.323 0.3 . 1 . . . . 128 MET CE . 18180 1 1552 . 1 1 128 128 MET N N 15 115.261 0.3 . 1 . . . . 128 MET N . 18180 1 1553 . 1 1 129 129 GLU H H 1 8.560 0.02 . 1 . . . . 129 GLU H . 18180 1 1554 . 1 1 129 129 GLU HA H 1 5.426 0.02 . 1 . . . . 129 GLU HA . 18180 1 1555 . 1 1 129 129 GLU HB2 H 1 2.152 0.02 . 2 . . . . 129 GLU HB2 . 18180 1 1556 . 1 1 129 129 GLU HB3 H 1 2.175 0.02 . 2 . . . . 129 GLU HB3 . 18180 1 1557 . 1 1 129 129 GLU HG2 H 1 2.463 0.02 . 2 . . . . 129 GLU HG2 . 18180 1 1558 . 1 1 129 129 GLU HG3 H 1 2.308 0.02 . 2 . . . . 129 GLU HG3 . 18180 1 1559 . 1 1 129 129 GLU C C 13 175.575 0.3 . 1 . . . . 129 GLU C . 18180 1 1560 . 1 1 129 129 GLU CA C 13 55.437 0.3 . 1 . . . . 129 GLU CA . 18180 1 1561 . 1 1 129 129 GLU CB C 13 33.427 0.3 . 1 . . . . 129 GLU CB . 18180 1 1562 . 1 1 129 129 GLU CG C 13 37.613 0.3 . 1 . . . . 129 GLU CG . 18180 1 1563 . 1 1 129 129 GLU N N 15 120.492 0.3 . 1 . . . . 129 GLU N . 18180 1 1564 . 1 1 130 130 LEU H H 1 9.048 0.02 . 1 . . . . 130 LEU H . 18180 1 1565 . 1 1 130 130 LEU HA H 1 4.864 0.02 . 1 . . . . 130 LEU HA . 18180 1 1566 . 1 1 130 130 LEU HB2 H 1 1.627 0.02 . 2 . . . . 130 LEU HB2 . 18180 1 1567 . 1 1 130 130 LEU HB3 H 1 1.542 0.02 . 2 . . . . 130 LEU HB3 . 18180 1 1568 . 1 1 130 130 LEU HG H 1 1.566 0.02 . 1 . . . . 130 LEU HG . 18180 1 1569 . 1 1 130 130 LEU HD11 H 1 0.691 0.02 . 1 . . . . 130 LEU HD1 . 18180 1 1570 . 1 1 130 130 LEU HD12 H 1 0.691 0.02 . 1 . . . . 130 LEU HD1 . 18180 1 1571 . 1 1 130 130 LEU HD13 H 1 0.691 0.02 . 1 . . . . 130 LEU HD1 . 18180 1 1572 . 1 1 130 130 LEU HD21 H 1 0.809 0.02 . 1 . . . . 130 LEU HD2 . 18180 1 1573 . 1 1 130 130 LEU HD22 H 1 0.809 0.02 . 1 . . . . 130 LEU HD2 . 18180 1 1574 . 1 1 130 130 LEU HD23 H 1 0.809 0.02 . 1 . . . . 130 LEU HD2 . 18180 1 1575 . 1 1 130 130 LEU C C 13 175.708 0.3 . 1 . . . . 130 LEU C . 18180 1 1576 . 1 1 130 130 LEU CA C 13 53.902 0.3 . 1 . . . . 130 LEU CA . 18180 1 1577 . 1 1 130 130 LEU CB C 13 44.675 0.3 . 1 . . . . 130 LEU CB . 18180 1 1578 . 1 1 130 130 LEU CG C 13 27.866 0.3 . 1 . . . . 130 LEU CG . 18180 1 1579 . 1 1 130 130 LEU CD1 C 13 25.929 0.3 . 1 . . . . 130 LEU CD1 . 18180 1 1580 . 1 1 130 130 LEU CD2 C 13 24.966 0.3 . 1 . . . . 130 LEU CD2 . 18180 1 1581 . 1 1 130 130 LEU N N 15 124.650 0.3 . 1 . . . . 130 LEU N . 18180 1 1582 . 1 1 131 131 GLU H H 1 8.932 0.02 . 1 . . . . 131 GLU H . 18180 1 1583 . 1 1 131 131 GLU HA H 1 4.858 0.02 . 1 . . . . 131 GLU HA . 18180 1 1584 . 1 1 131 131 GLU HB2 H 1 2.042 0.02 . 2 . . . . 131 GLU HB2 . 18180 1 1585 . 1 1 131 131 GLU HB3 H 1 1.842 0.02 . 2 . . . . 131 GLU HB3 . 18180 1 1586 . 1 1 131 131 GLU HG2 H 1 2.062 0.02 . 2 . . . . 131 GLU HG2 . 18180 1 1587 . 1 1 131 131 GLU HG3 H 1 2.143 0.02 . 2 . . . . 131 GLU HG3 . 18180 1 1588 . 1 1 131 131 GLU C C 13 173.376 0.3 . 1 . . . . 131 GLU C . 18180 1 1589 . 1 1 131 131 GLU CA C 13 52.847 0.3 . 1 . . . . 131 GLU CA . 18180 1 1590 . 1 1 131 131 GLU CB C 13 30.205 0.3 . 1 . . . . 131 GLU CB . 18180 1 1591 . 1 1 131 131 GLU CG C 13 35.575 0.3 . 1 . . . . 131 GLU CG . 18180 1 1592 . 1 1 131 131 GLU N N 15 122.247 0.3 . 1 . . . . 131 GLU N . 18180 1 1593 . 1 1 132 132 PRO HA H 1 4.544 0.02 . 1 . . . . 132 PRO HA . 18180 1 1594 . 1 1 132 132 PRO HB2 H 1 2.339 0.02 . 2 . . . . 132 PRO HB2 . 18180 1 1595 . 1 1 132 132 PRO HB3 H 1 2.141 0.02 . 2 . . . . 132 PRO HB3 . 18180 1 1596 . 1 1 132 132 PRO HG2 H 1 1.791 0.02 . 2 . . . . 132 PRO HG2 . 18180 1 1597 . 1 1 132 132 PRO HG3 H 1 2.142 0.02 . 2 . . . . 132 PRO HG3 . 18180 1 1598 . 1 1 132 132 PRO HD2 H 1 3.693 0.02 . 2 . . . . 132 PRO HD2 . 18180 1 1599 . 1 1 132 132 PRO HD3 H 1 3.513 0.02 . 2 . . . . 132 PRO HD3 . 18180 1 1600 . 1 1 132 132 PRO C C 13 176.649 0.3 . 1 . . . . 132 PRO C . 18180 1 1601 . 1 1 132 132 PRO CA C 13 62.859 0.3 . 1 . . . . 132 PRO CA . 18180 1 1602 . 1 1 132 132 PRO CB C 13 32.711 0.3 . 1 . . . . 132 PRO CB . 18180 1 1603 . 1 1 132 132 PRO CG C 13 27.715 0.3 . 1 . . . . 132 PRO CG . 18180 1 1604 . 1 1 132 132 PRO CD C 13 50.692 0.3 . 1 . . . . 132 PRO CD . 18180 1 1605 . 1 1 133 133 ASP H H 1 8.710 0.02 . 1 . . . . 133 ASP H . 18180 1 1606 . 1 1 133 133 ASP HA H 1 4.484 0.02 . 1 . . . . 133 ASP HA . 18180 1 1607 . 1 1 133 133 ASP HB2 H 1 2.722 0.02 . 2 . . . . 133 ASP HB2 . 18180 1 1608 . 1 1 133 133 ASP HB3 H 1 2.822 0.02 . 2 . . . . 133 ASP HB3 . 18180 1 1609 . 1 1 133 133 ASP C C 13 175.275 0.3 . 1 . . . . 133 ASP C . 18180 1 1610 . 1 1 133 133 ASP CA C 13 54.269 0.3 . 1 . . . . 133 ASP CA . 18180 1 1611 . 1 1 133 133 ASP CB C 13 40.866 0.3 . 1 . . . . 133 ASP CB . 18180 1 1612 . 1 1 133 133 ASP N N 15 120.427 0.3 . 1 . . . . 133 ASP N . 18180 1 1613 . 1 1 134 134 ARG H H 1 7.448 0.02 . 1 . . . . 134 ARG H . 18180 1 1614 . 1 1 134 134 ARG HA H 1 4.384 0.02 . 1 . . . . 134 ARG HA . 18180 1 1615 . 1 1 134 134 ARG HB2 H 1 1.844 0.02 . 2 . . . . 134 ARG HB2 . 18180 1 1616 . 1 1 134 134 ARG HB3 H 1 1.725 0.02 . 2 . . . . 134 ARG HB3 . 18180 1 1617 . 1 1 134 134 ARG HG2 H 1 1.493 0.02 . 2 . . . . 134 ARG HG2 . 18180 1 1618 . 1 1 134 134 ARG HG3 H 1 1.304 0.02 . 2 . . . . 134 ARG HG3 . 18180 1 1619 . 1 1 134 134 ARG HD2 H 1 3.132 0.02 . 2 . . . . 134 ARG HD2 . 18180 1 1620 . 1 1 134 134 ARG HD3 H 1 3.132 0.02 . 2 . . . . 134 ARG HD3 . 18180 1 1621 . 1 1 134 134 ARG HE H 1 7.298 0.02 . 1 . . . . 134 ARG HE . 18180 1 1622 . 1 1 134 134 ARG C C 13 174.576 0.3 . 1 . . . . 134 ARG C . 18180 1 1623 . 1 1 134 134 ARG CA C 13 53.847 0.3 . 1 . . . . 134 ARG CA . 18180 1 1624 . 1 1 134 134 ARG CB C 13 31.828 0.3 . 1 . . . . 134 ARG CB . 18180 1 1625 . 1 1 134 134 ARG CG C 13 25.204 0.3 . 1 . . . . 134 ARG CG . 18180 1 1626 . 1 1 134 134 ARG CD C 13 43.430 0.3 . 1 . . . . 134 ARG CD . 18180 1 1627 . 1 1 134 134 ARG N N 15 114.329 0.3 . 1 . . . . 134 ARG N . 18180 1 1628 . 1 1 134 134 ARG NE N 15 85.414 0.3 . 1 . . . . 134 ARG NE . 18180 1 1629 . 1 1 135 135 ASP H H 1 8.457 0.02 . 1 . . . . 135 ASP H . 18180 1 1630 . 1 1 135 135 ASP HA H 1 4.524 0.02 . 1 . . . . 135 ASP HA . 18180 1 1631 . 1 1 135 135 ASP HB2 H 1 2.647 0.02 . 2 . . . . 135 ASP HB2 . 18180 1 1632 . 1 1 135 135 ASP HB3 H 1 2.512 0.02 . 2 . . . . 135 ASP HB3 . 18180 1 1633 . 1 1 135 135 ASP C C 13 176.440 0.3 . 1 . . . . 135 ASP C . 18180 1 1634 . 1 1 135 135 ASP CA C 13 54.879 0.3 . 1 . . . . 135 ASP CA . 18180 1 1635 . 1 1 135 135 ASP CB C 13 40.260 0.3 . 1 . . . . 135 ASP CB . 18180 1 1636 . 1 1 135 135 ASP N N 15 119.047 0.3 . 1 . . . . 135 ASP N . 18180 1 1637 . 1 1 136 136 LEU H H 1 8.228 0.02 . 1 . . . . 136 LEU H . 18180 1 1638 . 1 1 136 136 LEU HA H 1 4.450 0.02 . 1 . . . . 136 LEU HA . 18180 1 1639 . 1 1 136 136 LEU HB2 H 1 1.639 0.02 . 2 . . . . 136 LEU HB2 . 18180 1 1640 . 1 1 136 136 LEU HB3 H 1 1.200 0.02 . 2 . . . . 136 LEU HB3 . 18180 1 1641 . 1 1 136 136 LEU HG H 1 1.788 0.02 . 1 . . . . 136 LEU HG . 18180 1 1642 . 1 1 136 136 LEU HD11 H 1 0.835 0.02 . 1 . . . . 136 LEU HD1 . 18180 1 1643 . 1 1 136 136 LEU HD12 H 1 0.835 0.02 . 1 . . . . 136 LEU HD1 . 18180 1 1644 . 1 1 136 136 LEU HD13 H 1 0.835 0.02 . 1 . . . . 136 LEU HD1 . 18180 1 1645 . 1 1 136 136 LEU HD21 H 1 0.849 0.02 . 1 . . . . 136 LEU HD2 . 18180 1 1646 . 1 1 136 136 LEU HD22 H 1 0.849 0.02 . 1 . . . . 136 LEU HD2 . 18180 1 1647 . 1 1 136 136 LEU HD23 H 1 0.849 0.02 . 1 . . . . 136 LEU HD2 . 18180 1 1648 . 1 1 136 136 LEU C C 13 176.891 0.3 . 1 . . . . 136 LEU C . 18180 1 1649 . 1 1 136 136 LEU CA C 13 54.657 0.3 . 1 . . . . 136 LEU CA . 18180 1 1650 . 1 1 136 136 LEU CB C 13 43.779 0.3 . 1 . . . . 136 LEU CB . 18180 1 1651 . 1 1 136 136 LEU CG C 13 26.510 0.3 . 1 . . . . 136 LEU CG . 18180 1 1652 . 1 1 136 136 LEU CD1 C 13 26.201 0.3 . 1 . . . . 136 LEU CD1 . 18180 1 1653 . 1 1 136 136 LEU CD2 C 13 22.973 0.3 . 1 . . . . 136 LEU CD2 . 18180 1 1654 . 1 1 136 136 LEU N N 15 124.529 0.3 . 1 . . . . 136 LEU N . 18180 1 1655 . 1 1 137 137 SER H H 1 8.919 0.02 . 1 . . . . 137 SER H . 18180 1 1656 . 1 1 137 137 SER HA H 1 4.620 0.02 . 1 . . . . 137 SER HA . 18180 1 1657 . 1 1 137 137 SER HB2 H 1 3.784 0.02 . 2 . . . . 137 SER HB2 . 18180 1 1658 . 1 1 137 137 SER HB3 H 1 3.606 0.02 . 2 . . . . 137 SER HB3 . 18180 1 1659 . 1 1 137 137 SER C C 13 173.055 0.3 . 1 . . . . 137 SER C . 18180 1 1660 . 1 1 137 137 SER CA C 13 56.841 0.3 . 1 . . . . 137 SER CA . 18180 1 1661 . 1 1 137 137 SER CB C 13 65.796 0.3 . 1 . . . . 137 SER CB . 18180 1 1662 . 1 1 137 137 SER N N 15 118.128 0.3 . 1 . . . . 137 SER N . 18180 1 1663 . 1 1 138 138 ASP H H 1 8.529 0.02 . 1 . . . . 138 ASP H . 18180 1 1664 . 1 1 138 138 ASP HA H 1 4.452 0.02 . 1 . . . . 138 ASP HA . 18180 1 1665 . 1 1 138 138 ASP HB2 H 1 2.765 0.02 . 2 . . . . 138 ASP HB2 . 18180 1 1666 . 1 1 138 138 ASP HB3 H 1 2.544 0.02 . 2 . . . . 138 ASP HB3 . 18180 1 1667 . 1 1 138 138 ASP C C 13 178.299 0.3 . 1 . . . . 138 ASP C . 18180 1 1668 . 1 1 138 138 ASP CA C 13 56.083 0.3 . 1 . . . . 138 ASP CA . 18180 1 1669 . 1 1 138 138 ASP CB C 13 40.320 0.3 . 1 . . . . 138 ASP CB . 18180 1 1670 . 1 1 138 138 ASP N N 15 121.063 0.3 . 1 . . . . 138 ASP N . 18180 1 1671 . 1 1 139 139 GLY H H 1 9.296 0.02 . 1 . . . . 139 GLY H . 18180 1 1672 . 1 1 139 139 GLY HA2 H 1 4.351 0.02 . 2 . . . . 139 GLY HA2 . 18180 1 1673 . 1 1 139 139 GLY HA3 H 1 3.512 0.02 . 2 . . . . 139 GLY HA3 . 18180 1 1674 . 1 1 139 139 GLY C C 13 175.058 0.3 . 1 . . . . 139 GLY C . 18180 1 1675 . 1 1 139 139 GLY CA C 13 45.092 0.3 . 1 . . . . 139 GLY CA . 18180 1 1676 . 1 1 139 139 GLY N N 15 112.831 0.3 . 1 . . . . 139 GLY N . 18180 1 1677 . 1 1 140 140 ASP H H 1 8.025 0.02 . 1 . . . . 140 ASP H . 18180 1 1678 . 1 1 140 140 ASP HA H 1 4.601 0.02 . 1 . . . . 140 ASP HA . 18180 1 1679 . 1 1 140 140 ASP HB2 H 1 2.757 0.02 . 2 . . . . 140 ASP HB2 . 18180 1 1680 . 1 1 140 140 ASP HB3 H 1 2.570 0.02 . 2 . . . . 140 ASP HB3 . 18180 1 1681 . 1 1 140 140 ASP C C 13 174.833 0.3 . 1 . . . . 140 ASP C . 18180 1 1682 . 1 1 140 140 ASP CA C 13 55.249 0.3 . 1 . . . . 140 ASP CA . 18180 1 1683 . 1 1 140 140 ASP CB C 13 41.752 0.3 . 1 . . . . 140 ASP CB . 18180 1 1684 . 1 1 140 140 ASP N N 15 121.912 0.3 . 1 . . . . 140 ASP N . 18180 1 1685 . 1 1 141 141 GLU H H 1 8.282 0.02 . 1 . . . . 141 GLU H . 18180 1 1686 . 1 1 141 141 GLU HA H 1 5.542 0.02 . 1 . . . . 141 GLU HA . 18180 1 1687 . 1 1 141 141 GLU HB2 H 1 1.879 0.02 . 2 . . . . 141 GLU HB2 . 18180 1 1688 . 1 1 141 141 GLU HB3 H 1 1.881 0.02 . 2 . . . . 141 GLU HB3 . 18180 1 1689 . 1 1 141 141 GLU HG2 H 1 2.265 0.02 . 2 . . . . 141 GLU HG2 . 18180 1 1690 . 1 1 141 141 GLU HG3 H 1 2.175 0.02 . 2 . . . . 141 GLU HG3 . 18180 1 1691 . 1 1 141 141 GLU C C 13 176.798 0.3 . 1 . . . . 141 GLU C . 18180 1 1692 . 1 1 141 141 GLU CA C 13 54.472 0.3 . 1 . . . . 141 GLU CA . 18180 1 1693 . 1 1 141 141 GLU CB C 13 32.250 0.3 . 1 . . . . 141 GLU CB . 18180 1 1694 . 1 1 141 141 GLU CG C 13 36.332 0.3 . 1 . . . . 141 GLU CG . 18180 1 1695 . 1 1 141 141 GLU N N 15 118.029 0.3 . 1 . . . . 141 GLU N . 18180 1 1696 . 1 1 142 142 ILE H H 1 9.051 0.02 . 1 . . . . 142 ILE H . 18180 1 1697 . 1 1 142 142 ILE HA H 1 4.603 0.02 . 1 . . . . 142 ILE HA . 18180 1 1698 . 1 1 142 142 ILE HB H 1 1.623 0.02 . 1 . . . . 142 ILE HB . 18180 1 1699 . 1 1 142 142 ILE HG12 H 1 1.465 0.02 . 2 . . . . 142 ILE HG12 . 18180 1 1700 . 1 1 142 142 ILE HG13 H 1 0.967 0.02 . 2 . . . . 142 ILE HG13 . 18180 1 1701 . 1 1 142 142 ILE HG21 H 1 0.628 0.02 . 1 . . . . 142 ILE HG2 . 18180 1 1702 . 1 1 142 142 ILE HG22 H 1 0.628 0.02 . 1 . . . . 142 ILE HG2 . 18180 1 1703 . 1 1 142 142 ILE HG23 H 1 0.628 0.02 . 1 . . . . 142 ILE HG2 . 18180 1 1704 . 1 1 142 142 ILE HD11 H 1 0.702 0.02 . 1 . . . . 142 ILE HD1 . 18180 1 1705 . 1 1 142 142 ILE HD12 H 1 0.702 0.02 . 1 . . . . 142 ILE HD1 . 18180 1 1706 . 1 1 142 142 ILE HD13 H 1 0.702 0.02 . 1 . . . . 142 ILE HD1 . 18180 1 1707 . 1 1 142 142 ILE C C 13 173.684 0.3 . 1 . . . . 142 ILE C . 18180 1 1708 . 1 1 142 142 ILE CA C 13 59.443 0.3 . 1 . . . . 142 ILE CA . 18180 1 1709 . 1 1 142 142 ILE CB C 13 42.454 0.3 . 1 . . . . 142 ILE CB . 18180 1 1710 . 1 1 142 142 ILE CG1 C 13 27.388 0.3 . 1 . . . . 142 ILE CG1 . 18180 1 1711 . 1 1 142 142 ILE CG2 C 13 16.882 0.3 . 1 . . . . 142 ILE CG2 . 18180 1 1712 . 1 1 142 142 ILE CD1 C 13 14.981 0.3 . 1 . . . . 142 ILE CD1 . 18180 1 1713 . 1 1 142 142 ILE N N 15 120.028 0.3 . 1 . . . . 142 ILE N . 18180 1 1714 . 1 1 143 143 THR H H 1 8.286 0.02 . 1 . . . . 143 THR H . 18180 1 1715 . 1 1 143 143 THR HA H 1 4.383 0.02 . 1 . . . . 143 THR HA . 18180 1 1716 . 1 1 143 143 THR HB H 1 3.843 0.02 . 1 . . . . 143 THR HB . 18180 1 1717 . 1 1 143 143 THR HG21 H 1 0.959 0.02 . 1 . . . . 143 THR HG2 . 18180 1 1718 . 1 1 143 143 THR HG22 H 1 0.959 0.02 . 1 . . . . 143 THR HG2 . 18180 1 1719 . 1 1 143 143 THR HG23 H 1 0.959 0.02 . 1 . . . . 143 THR HG2 . 18180 1 1720 . 1 1 143 143 THR C C 13 173.616 0.3 . 1 . . . . 143 THR C . 18180 1 1721 . 1 1 143 143 THR CA C 13 63.715 0.3 . 1 . . . . 143 THR CA . 18180 1 1722 . 1 1 143 143 THR CB C 13 68.933 0.3 . 1 . . . . 143 THR CB . 18180 1 1723 . 1 1 143 143 THR CG2 C 13 22.146 0.3 . 1 . . . . 143 THR CG2 . 18180 1 1724 . 1 1 143 143 THR N N 15 121.975 0.3 . 1 . . . . 143 THR N . 18180 1 1725 . 1 1 144 144 LEU H H 1 9.285 0.02 . 1 . . . . 144 LEU H . 18180 1 1726 . 1 1 144 144 LEU HA H 1 4.080 0.02 . 1 . . . . 144 LEU HA . 18180 1 1727 . 1 1 144 144 LEU HB2 H 1 1.170 0.02 . 2 . . . . 144 LEU HB2 . 18180 1 1728 . 1 1 144 144 LEU HB3 H 1 0.649 0.02 . 2 . . . . 144 LEU HB3 . 18180 1 1729 . 1 1 144 144 LEU HG H 1 0.479 0.02 . 1 . . . . 144 LEU HG . 18180 1 1730 . 1 1 144 144 LEU HD11 H 1 0.112 0.02 . 1 . . . . 144 LEU HD1 . 18180 1 1731 . 1 1 144 144 LEU HD12 H 1 0.112 0.02 . 1 . . . . 144 LEU HD1 . 18180 1 1732 . 1 1 144 144 LEU HD13 H 1 0.112 0.02 . 1 . . . . 144 LEU HD1 . 18180 1 1733 . 1 1 144 144 LEU HD21 H 1 -0.236 0.02 . 1 . . . . 144 LEU HD2 . 18180 1 1734 . 1 1 144 144 LEU HD22 H 1 -0.236 0.02 . 1 . . . . 144 LEU HD2 . 18180 1 1735 . 1 1 144 144 LEU HD23 H 1 -0.236 0.02 . 1 . . . . 144 LEU HD2 . 18180 1 1736 . 1 1 144 144 LEU C C 13 172.798 0.3 . 1 . . . . 144 LEU C . 18180 1 1737 . 1 1 144 144 LEU CA C 13 53.195 0.3 . 1 . . . . 144 LEU CA . 18180 1 1738 . 1 1 144 144 LEU CB C 13 43.617 0.3 . 1 . . . . 144 LEU CB . 18180 1 1739 . 1 1 144 144 LEU CG C 13 26.047 0.3 . 1 . . . . 144 LEU CG . 18180 1 1740 . 1 1 144 144 LEU CD1 C 13 24.700 0.3 . 1 . . . . 144 LEU CD1 . 18180 1 1741 . 1 1 144 144 LEU CD2 C 13 26.005 0.3 . 1 . . . . 144 LEU CD2 . 18180 1 1742 . 1 1 144 144 LEU N N 15 132.612 0.3 . 1 . . . . 144 LEU N . 18180 1 1743 . 1 1 145 145 ASP H H 1 8.402 0.02 . 1 . . . . 145 ASP H . 18180 1 1744 . 1 1 145 145 ASP HA H 1 5.377 0.02 . 1 . . . . 145 ASP HA . 18180 1 1745 . 1 1 145 145 ASP HB2 H 1 3.166 0.02 . 2 . . . . 145 ASP HB2 . 18180 1 1746 . 1 1 145 145 ASP HB3 H 1 2.187 0.02 . 2 . . . . 145 ASP HB3 . 18180 1 1747 . 1 1 145 145 ASP C C 13 177.922 0.3 . 1 . . . . 145 ASP C . 18180 1 1748 . 1 1 145 145 ASP CA C 13 51.956 0.3 . 1 . . . . 145 ASP CA . 18180 1 1749 . 1 1 145 145 ASP CB C 13 41.298 0.3 . 1 . . . . 145 ASP CB . 18180 1 1750 . 1 1 145 145 ASP N N 15 122.483 0.3 . 1 . . . . 145 ASP N . 18180 1 1751 . 1 1 146 146 PHE H H 1 8.739 0.02 . 1 . . . . 146 PHE H . 18180 1 1752 . 1 1 146 146 PHE HA H 1 4.481 0.02 . 1 . . . . 146 PHE HA . 18180 1 1753 . 1 1 146 146 PHE HB2 H 1 3.001 0.02 . 2 . . . . 146 PHE HB2 . 18180 1 1754 . 1 1 146 146 PHE HB3 H 1 2.926 0.02 . 2 . . . . 146 PHE HB3 . 18180 1 1755 . 1 1 146 146 PHE HD1 H 1 7.137 0.02 . 3 . . . . 146 PHE HD1 . 18180 1 1756 . 1 1 146 146 PHE HD2 H 1 7.139 0.02 . 3 . . . . 146 PHE HD2 . 18180 1 1757 . 1 1 146 146 PHE HE1 H 1 6.078 0.02 . 3 . . . . 146 PHE HE1 . 18180 1 1758 . 1 1 146 146 PHE HE2 H 1 6.081 0.02 . 3 . . . . 146 PHE HE2 . 18180 1 1759 . 1 1 146 146 PHE HZ H 1 6.433 0.02 . 1 . . . . 146 PHE HZ . 18180 1 1760 . 1 1 146 146 PHE C C 13 177.895 0.3 . 1 . . . . 146 PHE C . 18180 1 1761 . 1 1 146 146 PHE CA C 13 61.141 0.3 . 1 . . . . 146 PHE CA . 18180 1 1762 . 1 1 146 146 PHE CB C 13 38.713 0.3 . 1 . . . . 146 PHE CB . 18180 1 1763 . 1 1 146 146 PHE CD1 C 13 132.000 0.3 . 3 . . . . 146 PHE CD1 . 18180 1 1764 . 1 1 146 146 PHE CD2 C 13 131.976 0.3 . 3 . . . . 146 PHE CD2 . 18180 1 1765 . 1 1 146 146 PHE CE1 C 13 129.947 0.3 . 3 . . . . 146 PHE CE1 . 18180 1 1766 . 1 1 146 146 PHE CE2 C 13 129.947 0.3 . 3 . . . . 146 PHE CE2 . 18180 1 1767 . 1 1 146 146 PHE CZ C 13 128.354 0.3 . 1 . . . . 146 PHE CZ . 18180 1 1768 . 1 1 146 146 PHE N N 15 123.011 0.3 . 1 . . . . 146 PHE N . 18180 1 1769 . 1 1 147 147 ASN H H 1 8.977 0.02 . 1 . . . . 147 ASN H . 18180 1 1770 . 1 1 147 147 ASN HA H 1 4.365 0.02 . 1 . . . . 147 ASN HA . 18180 1 1771 . 1 1 147 147 ASN HB2 H 1 2.548 0.02 . 2 . . . . 147 ASN HB2 . 18180 1 1772 . 1 1 147 147 ASN HB3 H 1 3.500 0.02 . 2 . . . . 147 ASN HB3 . 18180 1 1773 . 1 1 147 147 ASN C C 13 176.476 0.3 . 1 . . . . 147 ASN C . 18180 1 1774 . 1 1 147 147 ASN CA C 13 56.237 0.3 . 1 . . . . 147 ASN CA . 18180 1 1775 . 1 1 147 147 ASN CB C 13 38.705 0.3 . 1 . . . . 147 ASN CB . 18180 1 1776 . 1 1 147 147 ASN N N 15 114.966 0.3 . 1 . . . . 147 ASN N . 18180 1 1777 . 1 1 148 148 LEU H H 1 8.228 0.02 . 1 . . . . 148 LEU H . 18180 1 1778 . 1 1 148 148 LEU HA H 1 4.471 0.02 . 1 . . . . 148 LEU HA . 18180 1 1779 . 1 1 148 148 LEU HB2 H 1 2.034 0.02 . 2 . . . . 148 LEU HB2 . 18180 1 1780 . 1 1 148 148 LEU HB3 H 1 1.992 0.02 . 2 . . . . 148 LEU HB3 . 18180 1 1781 . 1 1 148 148 LEU HG H 1 1.622 0.02 . 1 . . . . 148 LEU HG . 18180 1 1782 . 1 1 148 148 LEU HD11 H 1 1.128 0.02 . 1 . . . . 148 LEU HD1 . 18180 1 1783 . 1 1 148 148 LEU HD12 H 1 1.128 0.02 . 1 . . . . 148 LEU HD1 . 18180 1 1784 . 1 1 148 148 LEU HD13 H 1 1.128 0.02 . 1 . . . . 148 LEU HD1 . 18180 1 1785 . 1 1 148 148 LEU HD21 H 1 0.881 0.02 . 1 . . . . 148 LEU HD2 . 18180 1 1786 . 1 1 148 148 LEU HD22 H 1 0.881 0.02 . 1 . . . . 148 LEU HD2 . 18180 1 1787 . 1 1 148 148 LEU HD23 H 1 0.881 0.02 . 1 . . . . 148 LEU HD2 . 18180 1 1788 . 1 1 148 148 LEU C C 13 177.184 0.3 . 1 . . . . 148 LEU C . 18180 1 1789 . 1 1 148 148 LEU CA C 13 54.558 0.3 . 1 . . . . 148 LEU CA . 18180 1 1790 . 1 1 148 148 LEU CB C 13 41.589 0.3 . 1 . . . . 148 LEU CB . 18180 1 1791 . 1 1 148 148 LEU CG C 13 26.970 0.3 . 1 . . . . 148 LEU CG . 18180 1 1792 . 1 1 148 148 LEU CD1 C 13 25.970 0.3 . 1 . . . . 148 LEU CD1 . 18180 1 1793 . 1 1 148 148 LEU CD2 C 13 22.978 0.3 . 1 . . . . 148 LEU CD2 . 18180 1 1794 . 1 1 148 148 LEU N N 15 118.731 0.3 . 1 . . . . 148 LEU N . 18180 1 1795 . 1 1 149 149 ALA H H 1 7.723 0.02 . 1 . . . . 149 ALA H . 18180 1 1796 . 1 1 149 149 ALA HA H 1 5.116 0.02 . 1 . . . . 149 ALA HA . 18180 1 1797 . 1 1 149 149 ALA HB1 H 1 1.834 0.02 . 1 . . . . 149 ALA HB . 18180 1 1798 . 1 1 149 149 ALA HB2 H 1 1.834 0.02 . 1 . . . . 149 ALA HB . 18180 1 1799 . 1 1 149 149 ALA HB3 H 1 1.834 0.02 . 1 . . . . 149 ALA HB . 18180 1 1800 . 1 1 149 149 ALA C C 13 178.593 0.3 . 1 . . . . 149 ALA C . 18180 1 1801 . 1 1 149 149 ALA CA C 13 53.412 0.3 . 1 . . . . 149 ALA CA . 18180 1 1802 . 1 1 149 149 ALA CB C 13 19.788 0.3 . 1 . . . . 149 ALA CB . 18180 1 1803 . 1 1 149 149 ALA N N 15 124.144 0.3 . 1 . . . . 149 ALA N . 18180 1 1804 . 1 1 150 150 TYR H H 1 9.428 0.02 . 1 . . . . 150 TYR H . 18180 1 1805 . 1 1 150 150 TYR HA H 1 5.621 0.02 . 1 . . . . 150 TYR HA . 18180 1 1806 . 1 1 150 150 TYR HB2 H 1 3.378 0.02 . 2 . . . . 150 TYR HB2 . 18180 1 1807 . 1 1 150 150 TYR HB3 H 1 3.177 0.02 . 2 . . . . 150 TYR HB3 . 18180 1 1808 . 1 1 150 150 TYR HD1 H 1 7.557 0.02 . 3 . . . . 150 TYR HD1 . 18180 1 1809 . 1 1 150 150 TYR HD2 H 1 7.557 0.02 . 3 . . . . 150 TYR HD2 . 18180 1 1810 . 1 1 150 150 TYR HE1 H 1 6.853 0.02 . 3 . . . . 150 TYR HE1 . 18180 1 1811 . 1 1 150 150 TYR HE2 H 1 6.853 0.02 . 3 . . . . 150 TYR HE2 . 18180 1 1812 . 1 1 150 150 TYR C C 13 174.454 0.3 . 1 . . . . 150 TYR C . 18180 1 1813 . 1 1 150 150 TYR CA C 13 54.894 0.3 . 1 . . . . 150 TYR CA . 18180 1 1814 . 1 1 150 150 TYR CB C 13 41.939 0.3 . 1 . . . . 150 TYR CB . 18180 1 1815 . 1 1 150 150 TYR CD1 C 13 135.389 0.3 . 3 . . . . 150 TYR CD1 . 18180 1 1816 . 1 1 150 150 TYR CD2 C 13 135.389 0.3 . 3 . . . . 150 TYR CD2 . 18180 1 1817 . 1 1 150 150 TYR CE1 C 13 118.329 0.3 . 3 . . . . 150 TYR CE1 . 18180 1 1818 . 1 1 150 150 TYR CE2 C 13 118.329 0.3 . 3 . . . . 150 TYR CE2 . 18180 1 1819 . 1 1 150 150 TYR N N 15 122.021 0.3 . 1 . . . . 150 TYR N . 18180 1 1820 . 1 1 151 151 SER H H 1 8.793 0.02 . 1 . . . . 151 SER H . 18180 1 1821 . 1 1 151 151 SER HA H 1 4.640 0.02 . 1 . . . . 151 SER HA . 18180 1 1822 . 1 1 151 151 SER HB2 H 1 3.212 0.02 . 2 . . . . 151 SER HB2 . 18180 1 1823 . 1 1 151 151 SER HB3 H 1 3.841 0.02 . 2 . . . . 151 SER HB3 . 18180 1 1824 . 1 1 151 151 SER CA C 13 56.966 0.3 . 1 . . . . 151 SER CA . 18180 1 1825 . 1 1 151 151 SER CB C 13 61.974 0.3 . 1 . . . . 151 SER CB . 18180 1 1826 . 1 1 151 151 SER N N 15 118.776 0.3 . 1 . . . . 151 SER N . 18180 1 1827 . 1 1 152 152 PRO HA H 1 4.164 0.02 . 1 . . . . 152 PRO HA . 18180 1 1828 . 1 1 152 152 PRO HB2 H 1 1.707 0.02 . 2 . . . . 152 PRO HB2 . 18180 1 1829 . 1 1 152 152 PRO HB3 H 1 2.051 0.02 . 2 . . . . 152 PRO HB3 . 18180 1 1830 . 1 1 152 152 PRO HG2 H 1 1.467 0.02 . 2 . . . . 152 PRO HG2 . 18180 1 1831 . 1 1 152 152 PRO HG3 H 1 1.471 0.02 . 2 . . . . 152 PRO HG3 . 18180 1 1832 . 1 1 152 152 PRO HD2 H 1 3.584 0.02 . 2 . . . . 152 PRO HD2 . 18180 1 1833 . 1 1 152 152 PRO HD3 H 1 3.584 0.02 . 2 . . . . 152 PRO HD3 . 18180 1 1834 . 1 1 152 152 PRO C C 13 178.156 0.3 . 1 . . . . 152 PRO C . 18180 1 1835 . 1 1 152 152 PRO CA C 13 61.558 0.3 . 1 . . . . 152 PRO CA . 18180 1 1836 . 1 1 152 152 PRO CB C 13 31.566 0.3 . 1 . . . . 152 PRO CB . 18180 1 1837 . 1 1 152 152 PRO CG C 13 26.890 0.3 . 1 . . . . 152 PRO CG . 18180 1 1838 . 1 1 152 152 PRO CD C 13 51.055 0.3 . 1 . . . . 152 PRO CD . 18180 1 1839 . 1 1 153 153 PHE H H 1 9.178 0.02 . 1 . . . . 153 PHE H . 18180 1 1840 . 1 1 153 153 PHE HA H 1 4.555 0.02 . 1 . . . . 153 PHE HA . 18180 1 1841 . 1 1 153 153 PHE HB2 H 1 2.479 0.02 . 2 . . . . 153 PHE HB2 . 18180 1 1842 . 1 1 153 153 PHE HB3 H 1 2.263 0.02 . 2 . . . . 153 PHE HB3 . 18180 1 1843 . 1 1 153 153 PHE HD1 H 1 6.977 0.02 . 3 . . . . 153 PHE HD1 . 18180 1 1844 . 1 1 153 153 PHE HD2 H 1 6.978 0.02 . 3 . . . . 153 PHE HD2 . 18180 1 1845 . 1 1 153 153 PHE HE1 H 1 7.542 0.02 . 3 . . . . 153 PHE HE1 . 18180 1 1846 . 1 1 153 153 PHE HE2 H 1 7.542 0.02 . 3 . . . . 153 PHE HE2 . 18180 1 1847 . 1 1 153 153 PHE HZ H 1 7.370 0.02 . 1 . . . . 153 PHE HZ . 18180 1 1848 . 1 1 153 153 PHE C C 13 177.732 0.3 . 1 . . . . 153 PHE C . 18180 1 1849 . 1 1 153 153 PHE CA C 13 57.642 0.3 . 1 . . . . 153 PHE CA . 18180 1 1850 . 1 1 153 153 PHE CB C 13 39.000 0.3 . 1 . . . . 153 PHE CB . 18180 1 1851 . 1 1 153 153 PHE CD1 C 13 129.709 0.3 . 3 . . . . 153 PHE CD1 . 18180 1 1852 . 1 1 153 153 PHE CD2 C 13 129.699 0.3 . 3 . . . . 153 PHE CD2 . 18180 1 1853 . 1 1 153 153 PHE CE1 C 13 131.510 0.3 . 3 . . . . 153 PHE CE1 . 18180 1 1854 . 1 1 153 153 PHE CE2 C 13 131.510 0.3 . 3 . . . . 153 PHE CE2 . 18180 1 1855 . 1 1 153 153 PHE CZ C 13 129.032 0.3 . 1 . . . . 153 PHE CZ . 18180 1 1856 . 1 1 153 153 PHE N N 15 119.990 0.3 . 1 . . . . 153 PHE N . 18180 1 1857 . 1 1 154 154 CYS H H 1 7.698 0.02 . 1 . . . . 154 CYS H . 18180 1 1858 . 1 1 154 154 CYS HA H 1 5.522 0.02 . 1 . . . . 154 CYS HA . 18180 1 1859 . 1 1 154 154 CYS HB2 H 1 3.553 0.02 . 2 . . . . 154 CYS HB2 . 18180 1 1860 . 1 1 154 154 CYS HB3 H 1 3.074 0.02 . 2 . . . . 154 CYS HB3 . 18180 1 1861 . 1 1 154 154 CYS C C 13 175.269 0.3 . 1 . . . . 154 CYS C . 18180 1 1862 . 1 1 154 154 CYS CA C 13 57.966 0.3 . 1 . . . . 154 CYS CA . 18180 1 1863 . 1 1 154 154 CYS CB C 13 26.706 0.3 . 1 . . . . 154 CYS CB . 18180 1 1864 . 1 1 154 154 CYS N N 15 116.925 0.3 . 1 . . . . 154 CYS N . 18180 1 1865 . 1 1 155 155 ALA H H 1 7.997 0.02 . 1 . . . . 155 ALA H . 18180 1 1866 . 1 1 155 155 ALA HA H 1 3.625 0.02 . 1 . . . . 155 ALA HA . 18180 1 1867 . 1 1 155 155 ALA HB1 H 1 0.024 0.02 . 1 . . . . 155 ALA HB . 18180 1 1868 . 1 1 155 155 ALA HB2 H 1 0.024 0.02 . 1 . . . . 155 ALA HB . 18180 1 1869 . 1 1 155 155 ALA HB3 H 1 0.024 0.02 . 1 . . . . 155 ALA HB . 18180 1 1870 . 1 1 155 155 ALA C C 13 178.664 0.3 . 1 . . . . 155 ALA C . 18180 1 1871 . 1 1 155 155 ALA CA C 13 53.866 0.3 . 1 . . . . 155 ALA CA . 18180 1 1872 . 1 1 155 155 ALA CB C 13 17.729 0.3 . 1 . . . . 155 ALA CB . 18180 1 1873 . 1 1 155 155 ALA N N 15 124.902 0.3 . 1 . . . . 155 ALA N . 18180 1 1874 . 1 1 156 156 TYR H H 1 7.249 0.02 . 1 . . . . 156 TYR H . 18180 1 1875 . 1 1 156 156 TYR HA H 1 4.631 0.02 . 1 . . . . 156 TYR HA . 18180 1 1876 . 1 1 156 156 TYR HB2 H 1 3.143 0.02 . 2 . . . . 156 TYR HB2 . 18180 1 1877 . 1 1 156 156 TYR HB3 H 1 2.455 0.02 . 2 . . . . 156 TYR HB3 . 18180 1 1878 . 1 1 156 156 TYR HD1 H 1 6.780 0.02 . 3 . . . . 156 TYR HD1 . 18180 1 1879 . 1 1 156 156 TYR HD2 H 1 6.778 0.02 . 3 . . . . 156 TYR HD2 . 18180 1 1880 . 1 1 156 156 TYR HE1 H 1 6.816 0.02 . 3 . . . . 156 TYR HE1 . 18180 1 1881 . 1 1 156 156 TYR HE2 H 1 6.816 0.02 . 3 . . . . 156 TYR HE2 . 18180 1 1882 . 1 1 156 156 TYR C C 13 177.072 0.3 . 1 . . . . 156 TYR C . 18180 1 1883 . 1 1 156 156 TYR CA C 13 55.794 0.3 . 1 . . . . 156 TYR CA . 18180 1 1884 . 1 1 156 156 TYR CB C 13 39.636 0.3 . 1 . . . . 156 TYR CB . 18180 1 1885 . 1 1 156 156 TYR CD1 C 13 132.479 0.3 . 3 . . . . 156 TYR CD1 . 18180 1 1886 . 1 1 156 156 TYR CD2 C 13 132.489 0.3 . 3 . . . . 156 TYR CD2 . 18180 1 1887 . 1 1 156 156 TYR CE1 C 13 118.319 0.3 . 3 . . . . 156 TYR CE1 . 18180 1 1888 . 1 1 156 156 TYR CE2 C 13 118.319 0.3 . 3 . . . . 156 TYR CE2 . 18180 1 1889 . 1 1 156 156 TYR N N 15 115.598 0.3 . 1 . . . . 156 TYR N . 18180 1 1890 . 1 1 157 157 SER H H 1 7.491 0.02 . 1 . . . . 157 SER H . 18180 1 1891 . 1 1 157 157 SER HA H 1 4.664 0.02 . 1 . . . . 157 SER HA . 18180 1 1892 . 1 1 157 157 SER HB2 H 1 4.202 0.02 . 2 . . . . 157 SER HB2 . 18180 1 1893 . 1 1 157 157 SER HB3 H 1 3.833 0.02 . 2 . . . . 157 SER HB3 . 18180 1 1894 . 1 1 157 157 SER C C 13 174.723 0.3 . 1 . . . . 157 SER C . 18180 1 1895 . 1 1 157 157 SER CA C 13 57.127 0.3 . 1 . . . . 157 SER CA . 18180 1 1896 . 1 1 157 157 SER CB C 13 64.352 0.3 . 1 . . . . 157 SER CB . 18180 1 1897 . 1 1 157 157 SER N N 15 109.596 0.3 . 1 . . . . 157 SER N . 18180 1 1898 . 1 1 158 158 ASP H H 1 8.848 0.02 . 1 . . . . 158 ASP H . 18180 1 1899 . 1 1 158 158 ASP HA H 1 4.658 0.02 . 1 . . . . 158 ASP HA . 18180 1 1900 . 1 1 158 158 ASP HB2 H 1 2.891 0.02 . 2 . . . . 158 ASP HB2 . 18180 1 1901 . 1 1 158 158 ASP HB3 H 1 2.830 0.02 . 2 . . . . 158 ASP HB3 . 18180 1 1902 . 1 1 158 158 ASP C C 13 176.804 0.3 . 1 . . . . 158 ASP C . 18180 1 1903 . 1 1 158 158 ASP CA C 13 55.520 0.3 . 1 . . . . 158 ASP CA . 18180 1 1904 . 1 1 158 158 ASP CB C 13 40.111 0.3 . 1 . . . . 158 ASP CB . 18180 1 1905 . 1 1 158 158 ASP N N 15 126.558 0.3 . 1 . . . . 158 ASP N . 18180 1 1906 . 1 1 159 159 THR H H 1 7.699 0.02 . 1 . . . . 159 THR H . 18180 1 1907 . 1 1 159 159 THR HA H 1 3.982 0.02 . 1 . . . . 159 THR HA . 18180 1 1908 . 1 1 159 159 THR HB H 1 3.970 0.02 . 1 . . . . 159 THR HB . 18180 1 1909 . 1 1 159 159 THR HG21 H 1 1.037 0.02 . 1 . . . . 159 THR HG2 . 18180 1 1910 . 1 1 159 159 THR HG22 H 1 1.037 0.02 . 1 . . . . 159 THR HG2 . 18180 1 1911 . 1 1 159 159 THR HG23 H 1 1.037 0.02 . 1 . . . . 159 THR HG2 . 18180 1 1912 . 1 1 159 159 THR C C 13 175.046 0.3 . 1 . . . . 159 THR C . 18180 1 1913 . 1 1 159 159 THR CA C 13 63.165 0.3 . 1 . . . . 159 THR CA . 18180 1 1914 . 1 1 159 159 THR CB C 13 68.909 0.3 . 1 . . . . 159 THR CB . 18180 1 1915 . 1 1 159 159 THR CG2 C 13 21.536 0.3 . 1 . . . . 159 THR CG2 . 18180 1 1916 . 1 1 159 159 THR N N 15 109.487 0.3 . 1 . . . . 159 THR N . 18180 1 1917 . 1 1 160 160 PHE H H 1 7.173 0.02 . 1 . . . . 160 PHE H . 18180 1 1918 . 1 1 160 160 PHE HA H 1 4.423 0.02 . 1 . . . . 160 PHE HA . 18180 1 1919 . 1 1 160 160 PHE HB2 H 1 3.117 0.02 . 2 . . . . 160 PHE HB2 . 18180 1 1920 . 1 1 160 160 PHE HB3 H 1 2.548 0.02 . 2 . . . . 160 PHE HB3 . 18180 1 1921 . 1 1 160 160 PHE HD1 H 1 7.449 0.02 . 3 . . . . 160 PHE HD1 . 18180 1 1922 . 1 1 160 160 PHE HD2 H 1 7.449 0.02 . 3 . . . . 160 PHE HD2 . 18180 1 1923 . 1 1 160 160 PHE HE1 H 1 7.475 0.02 . 3 . . . . 160 PHE HE1 . 18180 1 1924 . 1 1 160 160 PHE HE2 H 1 7.475 0.02 . 3 . . . . 160 PHE HE2 . 18180 1 1925 . 1 1 160 160 PHE HZ H 1 7.343 0.02 . 1 . . . . 160 PHE HZ . 18180 1 1926 . 1 1 160 160 PHE C C 13 174.462 0.3 . 1 . . . . 160 PHE C . 18180 1 1927 . 1 1 160 160 PHE CA C 13 58.406 0.3 . 1 . . . . 160 PHE CA . 18180 1 1928 . 1 1 160 160 PHE CB C 13 40.685 0.3 . 1 . . . . 160 PHE CB . 18180 1 1929 . 1 1 160 160 PHE CD1 C 13 132.569 0.3 . 3 . . . . 160 PHE CD1 . 18180 1 1930 . 1 1 160 160 PHE CD2 C 13 132.569 0.3 . 3 . . . . 160 PHE CD2 . 18180 1 1931 . 1 1 160 160 PHE CE1 C 13 131.394 0.3 . 3 . . . . 160 PHE CE1 . 18180 1 1932 . 1 1 160 160 PHE CE2 C 13 131.394 0.3 . 3 . . . . 160 PHE CE2 . 18180 1 1933 . 1 1 160 160 PHE CZ C 13 129.800 0.3 . 1 . . . . 160 PHE CZ . 18180 1 1934 . 1 1 160 160 PHE N N 15 119.764 0.3 . 1 . . . . 160 PHE N . 18180 1 1935 . 1 1 161 161 SER H H 1 8.669 0.02 . 1 . . . . 161 SER H . 18180 1 1936 . 1 1 161 161 SER HA H 1 4.318 0.02 . 1 . . . . 161 SER HA . 18180 1 1937 . 1 1 161 161 SER HB2 H 1 3.816 0.02 . 2 . . . . 161 SER HB2 . 18180 1 1938 . 1 1 161 161 SER HB3 H 1 3.816 0.02 . 2 . . . . 161 SER HB3 . 18180 1 1939 . 1 1 161 161 SER C C 13 176.443 0.3 . 1 . . . . 161 SER C . 18180 1 1940 . 1 1 161 161 SER CA C 13 56.971 0.3 . 1 . . . . 161 SER CA . 18180 1 1941 . 1 1 161 161 SER CB C 13 62.314 0.3 . 1 . . . . 161 SER CB . 18180 1 1942 . 1 1 161 161 SER N N 15 118.223 0.3 . 1 . . . . 161 SER N . 18180 1 1943 . 1 1 162 162 CYS H H 1 8.536 0.02 . 1 . . . . 162 CYS H . 18180 1 1944 . 1 1 162 162 CYS HA H 1 5.256 0.02 . 1 . . . . 162 CYS HA . 18180 1 1945 . 1 1 162 162 CYS HB2 H 1 3.946 0.02 . 2 . . . . 162 CYS HB2 . 18180 1 1946 . 1 1 162 162 CYS HB3 H 1 2.711 0.02 . 2 . . . . 162 CYS HB3 . 18180 1 1947 . 1 1 162 162 CYS C C 13 173.599 0.3 . 1 . . . . 162 CYS C . 18180 1 1948 . 1 1 162 162 CYS CA C 13 56.421 0.3 . 1 . . . . 162 CYS CA . 18180 1 1949 . 1 1 162 162 CYS CB C 13 30.950 0.3 . 1 . . . . 162 CYS CB . 18180 1 1950 . 1 1 162 162 CYS N N 15 127.017 0.3 . 1 . . . . 162 CYS N . 18180 1 1951 . 1 1 163 163 PRO HA H 1 4.396 0.02 . 1 . . . . 163 PRO HA . 18180 1 1952 . 1 1 163 163 PRO HB2 H 1 1.886 0.02 . 2 . . . . 163 PRO HB2 . 18180 1 1953 . 1 1 163 163 PRO HB3 H 1 2.160 0.02 . 2 . . . . 163 PRO HB3 . 18180 1 1954 . 1 1 163 163 PRO HG2 H 1 2.189 0.02 . 2 . . . . 163 PRO HG2 . 18180 1 1955 . 1 1 163 163 PRO HG3 H 1 1.987 0.02 . 2 . . . . 163 PRO HG3 . 18180 1 1956 . 1 1 163 163 PRO HD2 H 1 4.159 0.02 . 2 . . . . 163 PRO HD2 . 18180 1 1957 . 1 1 163 163 PRO HD3 H 1 3.930 0.02 . 2 . . . . 163 PRO HD3 . 18180 1 1958 . 1 1 163 163 PRO C C 13 177.392 0.3 . 1 . . . . 163 PRO C . 18180 1 1959 . 1 1 163 163 PRO CA C 13 63.784 0.3 . 1 . . . . 163 PRO CA . 18180 1 1960 . 1 1 163 163 PRO CB C 13 32.066 0.3 . 1 . . . . 163 PRO CB . 18180 1 1961 . 1 1 163 163 PRO CG C 13 27.362 0.3 . 1 . . . . 163 PRO CG . 18180 1 1962 . 1 1 163 163 PRO CD C 13 51.587 0.3 . 1 . . . . 163 PRO CD . 18180 1 1963 . 1 1 164 164 LEU H H 1 9.080 0.02 . 1 . . . . 164 LEU H . 18180 1 1964 . 1 1 164 164 LEU HA H 1 5.481 0.02 . 1 . . . . 164 LEU HA . 18180 1 1965 . 1 1 164 164 LEU HB2 H 1 3.208 0.02 . 2 . . . . 164 LEU HB2 . 18180 1 1966 . 1 1 164 164 LEU HB3 H 1 2.907 0.02 . 2 . . . . 164 LEU HB3 . 18180 1 1967 . 1 1 164 164 LEU HG H 1 1.540 0.02 . 1 . . . . 164 LEU HG . 18180 1 1968 . 1 1 164 164 LEU C C 13 177.314 0.3 . 1 . . . . 164 LEU C . 18180 1 1969 . 1 1 164 164 LEU CA C 13 50.961 0.3 . 1 . . . . 164 LEU CA . 18180 1 1970 . 1 1 164 164 LEU CB C 13 42.963 0.3 . 1 . . . . 164 LEU CB . 18180 1 1971 . 1 1 164 164 LEU CG C 13 26.770 0.3 . 1 . . . . 164 LEU CG . 18180 1 1972 . 1 1 164 164 LEU N N 15 122.206 0.3 . 1 . . . . 164 LEU N . 18180 1 1973 . 1 1 165 165 PRO HA H 1 4.410 0.02 . 1 . . . . 165 PRO HA . 18180 1 1974 . 1 1 165 165 PRO HB2 H 1 2.050 0.02 . 2 . . . . 165 PRO HB2 . 18180 1 1975 . 1 1 165 165 PRO HB3 H 1 1.935 0.02 . 2 . . . . 165 PRO HB3 . 18180 1 1976 . 1 1 165 165 PRO HG2 H 1 2.032 0.02 . 2 . . . . 165 PRO HG2 . 18180 1 1977 . 1 1 165 165 PRO HG3 H 1 2.087 0.02 . 2 . . . . 165 PRO HG3 . 18180 1 1978 . 1 1 165 165 PRO HD2 H 1 4.278 0.02 . 2 . . . . 165 PRO HD2 . 18180 1 1979 . 1 1 165 165 PRO HD3 H 1 3.956 0.02 . 2 . . . . 165 PRO HD3 . 18180 1 1980 . 1 1 165 165 PRO CA C 13 63.000 0.3 . 1 . . . . 165 PRO CA . 18180 1 1981 . 1 1 165 165 PRO CB C 13 32.000 0.3 . 1 . . . . 165 PRO CB . 18180 1 1982 . 1 1 165 165 PRO CG C 13 26.655 0.3 . 1 . . . . 165 PRO CG . 18180 1 1983 . 1 1 165 165 PRO CD C 13 51.882 0.3 . 1 . . . . 165 PRO CD . 18180 1 1984 . 1 1 166 166 PRO HA H 1 4.606 0.02 . 1 . . . . 166 PRO HA . 18180 1 1985 . 1 1 166 166 PRO HB2 H 1 2.491 0.02 . 2 . . . . 166 PRO HB2 . 18180 1 1986 . 1 1 166 166 PRO HB3 H 1 1.713 0.02 . 2 . . . . 166 PRO HB3 . 18180 1 1987 . 1 1 166 166 PRO HG2 H 1 2.169 0.02 . 2 . . . . 166 PRO HG2 . 18180 1 1988 . 1 1 166 166 PRO HG3 H 1 2.074 0.02 . 2 . . . . 166 PRO HG3 . 18180 1 1989 . 1 1 166 166 PRO HD2 H 1 3.674 0.02 . 2 . . . . 166 PRO HD2 . 18180 1 1990 . 1 1 166 166 PRO HD3 H 1 3.605 0.02 . 2 . . . . 166 PRO HD3 . 18180 1 1991 . 1 1 166 166 PRO C C 13 177.291 0.3 . 1 . . . . 166 PRO C . 18180 1 1992 . 1 1 166 166 PRO CA C 13 61.853 0.3 . 1 . . . . 166 PRO CA . 18180 1 1993 . 1 1 166 166 PRO CB C 13 31.788 0.3 . 1 . . . . 166 PRO CB . 18180 1 1994 . 1 1 166 166 PRO CG C 13 28.290 0.3 . 1 . . . . 166 PRO CG . 18180 1 1995 . 1 1 166 166 PRO CD C 13 52.484 0.3 . 1 . . . . 166 PRO CD . 18180 1 1996 . 1 1 167 167 GLU H H 1 8.767 0.02 . 1 . . . . 167 GLU H . 18180 1 1997 . 1 1 167 167 GLU HA H 1 2.021 0.02 . 1 . . . . 167 GLU HA . 18180 1 1998 . 1 1 167 167 GLU HB2 H 1 1.425 0.02 . 2 . . . . 167 GLU HB2 . 18180 1 1999 . 1 1 167 167 GLU HB3 H 1 1.416 0.02 . 2 . . . . 167 GLU HB3 . 18180 1 2000 . 1 1 167 167 GLU HG2 H 1 1.623 0.02 . 2 . . . . 167 GLU HG2 . 18180 1 2001 . 1 1 167 167 GLU HG3 H 1 1.592 0.02 . 2 . . . . 167 GLU HG3 . 18180 1 2002 . 1 1 167 167 GLU C C 13 178.079 0.3 . 1 . . . . 167 GLU C . 18180 1 2003 . 1 1 167 167 GLU CA C 13 58.836 0.3 . 1 . . . . 167 GLU CA . 18180 1 2004 . 1 1 167 167 GLU CB C 13 28.826 0.3 . 1 . . . . 167 GLU CB . 18180 1 2005 . 1 1 167 167 GLU CG C 13 35.968 0.3 . 1 . . . . 167 GLU CG . 18180 1 2006 . 1 1 167 167 GLU N N 15 121.460 0.3 . 1 . . . . 167 GLU N . 18180 1 2007 . 1 1 168 168 SER H H 1 7.884 0.02 . 1 . . . . 168 SER H . 18180 1 2008 . 1 1 168 168 SER HA H 1 3.973 0.02 . 1 . . . . 168 SER HA . 18180 1 2009 . 1 1 168 168 SER HB2 H 1 3.458 0.02 . 2 . . . . 168 SER HB2 . 18180 1 2010 . 1 1 168 168 SER HB3 H 1 3.106 0.02 . 2 . . . . 168 SER HB3 . 18180 1 2011 . 1 1 168 168 SER C C 13 175.158 0.3 . 1 . . . . 168 SER C . 18180 1 2012 . 1 1 168 168 SER CA C 13 60.259 0.3 . 1 . . . . 168 SER CA . 18180 1 2013 . 1 1 168 168 SER CB C 13 62.690 0.3 . 1 . . . . 168 SER CB . 18180 1 2014 . 1 1 168 168 SER N N 15 112.834 0.3 . 1 . . . . 168 SER N . 18180 1 2015 . 1 1 169 169 ASN H H 1 8.160 0.02 . 1 . . . . 169 ASN H . 18180 1 2016 . 1 1 169 169 ASN HA H 1 5.222 0.02 . 1 . . . . 169 ASN HA . 18180 1 2017 . 1 1 169 169 ASN HB2 H 1 4.197 0.02 . 2 . . . . 169 ASN HB2 . 18180 1 2018 . 1 1 169 169 ASN HB3 H 1 2.722 0.02 . 2 . . . . 169 ASN HB3 . 18180 1 2019 . 1 1 169 169 ASN HD21 H 1 7.482 0.02 . 2 . . . . 169 ASN HD21 . 18180 1 2020 . 1 1 169 169 ASN HD22 H 1 6.930 0.02 . 2 . . . . 169 ASN HD22 . 18180 1 2021 . 1 1 169 169 ASN C C 13 174.188 0.3 . 1 . . . . 169 ASN C . 18180 1 2022 . 1 1 169 169 ASN CA C 13 51.363 0.3 . 1 . . . . 169 ASN CA . 18180 1 2023 . 1 1 169 169 ASN CB C 13 37.408 0.3 . 1 . . . . 169 ASN CB . 18180 1 2024 . 1 1 169 169 ASN N N 15 121.981 0.3 . 1 . . . . 169 ASN N . 18180 1 2025 . 1 1 169 169 ASN ND2 N 15 113.117 0.3 . 1 . . . . 169 ASN ND2 . 18180 1 2026 . 1 1 170 170 TRP H H 1 7.455 0.02 . 1 . . . . 170 TRP H . 18180 1 2027 . 1 1 170 170 TRP HA H 1 5.154 0.02 . 1 . . . . 170 TRP HA . 18180 1 2028 . 1 1 170 170 TRP HB2 H 1 3.169 0.02 . 2 . . . . 170 TRP HB2 . 18180 1 2029 . 1 1 170 170 TRP HB3 H 1 3.444 0.02 . 2 . . . . 170 TRP HB3 . 18180 1 2030 . 1 1 170 170 TRP HD1 H 1 6.639 0.02 . 1 . . . . 170 TRP HD1 . 18180 1 2031 . 1 1 170 170 TRP HE1 H 1 9.352 0.02 . 1 . . . . 170 TRP HE1 . 18180 1 2032 . 1 1 170 170 TRP HE3 H 1 7.583 0.02 . 1 . . . . 170 TRP HE3 . 18180 1 2033 . 1 1 170 170 TRP HZ2 H 1 7.444 0.02 . 1 . . . . 170 TRP HZ2 . 18180 1 2034 . 1 1 170 170 TRP HZ3 H 1 7.105 0.02 . 1 . . . . 170 TRP HZ3 . 18180 1 2035 . 1 1 170 170 TRP HH2 H 1 7.195 0.02 . 1 . . . . 170 TRP HH2 . 18180 1 2036 . 1 1 170 170 TRP C C 13 175.593 0.3 . 1 . . . . 170 TRP C . 18180 1 2037 . 1 1 170 170 TRP CA C 13 54.992 0.3 . 1 . . . . 170 TRP CA . 18180 1 2038 . 1 1 170 170 TRP CB C 13 28.105 0.3 . 1 . . . . 170 TRP CB . 18180 1 2039 . 1 1 170 170 TRP CD1 C 13 124.537 0.3 . 1 . . . . 170 TRP CD1 . 18180 1 2040 . 1 1 170 170 TRP CE3 C 13 121.081 0.3 . 1 . . . . 170 TRP CE3 . 18180 1 2041 . 1 1 170 170 TRP CZ2 C 13 114.443 0.3 . 1 . . . . 170 TRP CZ2 . 18180 1 2042 . 1 1 170 170 TRP CZ3 C 13 122.301 0.3 . 1 . . . . 170 TRP CZ3 . 18180 1 2043 . 1 1 170 170 TRP CH2 C 13 125.341 0.3 . 1 . . . . 170 TRP CH2 . 18180 1 2044 . 1 1 170 170 TRP N N 15 120.938 0.3 . 1 . . . . 170 TRP N . 18180 1 2045 . 1 1 170 170 TRP NE1 N 15 125.920 0.3 . 1 . . . . 170 TRP NE1 . 18180 1 2046 . 1 1 171 171 LEU H H 1 8.906 0.02 . 1 . . . . 171 LEU H . 18180 1 2047 . 1 1 171 171 LEU HA H 1 4.592 0.02 . 1 . . . . 171 LEU HA . 18180 1 2048 . 1 1 171 171 LEU HB2 H 1 2.217 0.02 . 2 . . . . 171 LEU HB2 . 18180 1 2049 . 1 1 171 171 LEU HB3 H 1 1.170 0.02 . 2 . . . . 171 LEU HB3 . 18180 1 2050 . 1 1 171 171 LEU HG H 1 2.068 0.02 . 1 . . . . 171 LEU HG . 18180 1 2051 . 1 1 171 171 LEU HD11 H 1 0.852 0.02 . 1 . . . . 171 LEU HD1 . 18180 1 2052 . 1 1 171 171 LEU HD12 H 1 0.852 0.02 . 1 . . . . 171 LEU HD1 . 18180 1 2053 . 1 1 171 171 LEU HD13 H 1 0.852 0.02 . 1 . . . . 171 LEU HD1 . 18180 1 2054 . 1 1 171 171 LEU HD21 H 1 0.984 0.02 . 1 . . . . 171 LEU HD2 . 18180 1 2055 . 1 1 171 171 LEU HD22 H 1 0.984 0.02 . 1 . . . . 171 LEU HD2 . 18180 1 2056 . 1 1 171 171 LEU HD23 H 1 0.984 0.02 . 1 . . . . 171 LEU HD2 . 18180 1 2057 . 1 1 171 171 LEU C C 13 178.448 0.3 . 1 . . . . 171 LEU C . 18180 1 2058 . 1 1 171 171 LEU CA C 13 54.346 0.3 . 1 . . . . 171 LEU CA . 18180 1 2059 . 1 1 171 171 LEU CB C 13 44.725 0.3 . 1 . . . . 171 LEU CB . 18180 1 2060 . 1 1 171 171 LEU CG C 13 26.866 0.3 . 1 . . . . 171 LEU CG . 18180 1 2061 . 1 1 171 171 LEU CD1 C 13 26.799 0.3 . 1 . . . . 171 LEU CD1 . 18180 1 2062 . 1 1 171 171 LEU CD2 C 13 24.386 0.3 . 1 . . . . 171 LEU CD2 . 18180 1 2063 . 1 1 171 171 LEU N N 15 125.461 0.3 . 1 . . . . 171 LEU N . 18180 1 2064 . 1 1 172 172 GLU H H 1 8.723 0.02 . 1 . . . . 172 GLU H . 18180 1 2065 . 1 1 172 172 GLU HA H 1 4.424 0.02 . 1 . . . . 172 GLU HA . 18180 1 2066 . 1 1 172 172 GLU HB2 H 1 2.313 0.02 . 2 . . . . 172 GLU HB2 . 18180 1 2067 . 1 1 172 172 GLU HB3 H 1 1.824 0.02 . 2 . . . . 172 GLU HB3 . 18180 1 2068 . 1 1 172 172 GLU HG2 H 1 2.431 0.02 . 2 . . . . 172 GLU HG2 . 18180 1 2069 . 1 1 172 172 GLU HG3 H 1 2.356 0.02 . 2 . . . . 172 GLU HG3 . 18180 1 2070 . 1 1 172 172 GLU C C 13 175.343 0.3 . 1 . . . . 172 GLU C . 18180 1 2071 . 1 1 172 172 GLU CA C 13 54.882 0.3 . 1 . . . . 172 GLU CA . 18180 1 2072 . 1 1 172 172 GLU CB C 13 27.969 0.3 . 1 . . . . 172 GLU CB . 18180 1 2073 . 1 1 172 172 GLU CG C 13 36.259 0.3 . 1 . . . . 172 GLU CG . 18180 1 2074 . 1 1 172 172 GLU N N 15 124.579 0.3 . 1 . . . . 172 GLU N . 18180 1 2075 . 1 1 173 173 THR H H 1 7.642 0.02 . 1 . . . . 173 THR H . 18180 1 2076 . 1 1 173 173 THR HA H 1 4.556 0.02 . 1 . . . . 173 THR HA . 18180 1 2077 . 1 1 173 173 THR HB H 1 4.105 0.02 . 1 . . . . 173 THR HB . 18180 1 2078 . 1 1 173 173 THR HG21 H 1 0.806 0.02 . 1 . . . . 173 THR HG2 . 18180 1 2079 . 1 1 173 173 THR HG22 H 1 0.806 0.02 . 1 . . . . 173 THR HG2 . 18180 1 2080 . 1 1 173 173 THR HG23 H 1 0.806 0.02 . 1 . . . . 173 THR HG2 . 18180 1 2081 . 1 1 173 173 THR C C 13 172.544 0.3 . 1 . . . . 173 THR C . 18180 1 2082 . 1 1 173 173 THR CA C 13 59.981 0.3 . 1 . . . . 173 THR CA . 18180 1 2083 . 1 1 173 173 THR CB C 13 68.138 0.3 . 1 . . . . 173 THR CB . 18180 1 2084 . 1 1 173 173 THR CG2 C 13 18.977 0.3 . 1 . . . . 173 THR CG2 . 18180 1 2085 . 1 1 173 173 THR N N 15 113.424 0.3 . 1 . . . . 173 THR N . 18180 1 2086 . 1 1 174 174 ALA H H 1 8.595 0.02 . 1 . . . . 174 ALA H . 18180 1 2087 . 1 1 174 174 ALA HA H 1 4.418 0.02 . 1 . . . . 174 ALA HA . 18180 1 2088 . 1 1 174 174 ALA HB1 H 1 1.281 0.02 . 1 . . . . 174 ALA HB . 18180 1 2089 . 1 1 174 174 ALA HB2 H 1 1.281 0.02 . 1 . . . . 174 ALA HB . 18180 1 2090 . 1 1 174 174 ALA HB3 H 1 1.281 0.02 . 1 . . . . 174 ALA HB . 18180 1 2091 . 1 1 174 174 ALA C C 13 175.341 0.3 . 1 . . . . 174 ALA C . 18180 1 2092 . 1 1 174 174 ALA CA C 13 52.285 0.3 . 1 . . . . 174 ALA CA . 18180 1 2093 . 1 1 174 174 ALA CB C 13 18.460 0.3 . 1 . . . . 174 ALA CB . 18180 1 2094 . 1 1 174 174 ALA N N 15 131.118 0.3 . 1 . . . . 174 ALA N . 18180 1 2095 . 1 1 175 175 VAL H H 1 8.558 0.02 . 1 . . . . 175 VAL H . 18180 1 2096 . 1 1 175 175 VAL HA H 1 3.642 0.02 . 1 . . . . 175 VAL HA . 18180 1 2097 . 1 1 175 175 VAL HB H 1 1.774 0.02 . 1 . . . . 175 VAL HB . 18180 1 2098 . 1 1 175 175 VAL HG11 H 1 0.439 0.02 . 1 . . . . 175 VAL HG1 . 18180 1 2099 . 1 1 175 175 VAL HG12 H 1 0.439 0.02 . 1 . . . . 175 VAL HG1 . 18180 1 2100 . 1 1 175 175 VAL HG13 H 1 0.439 0.02 . 1 . . . . 175 VAL HG1 . 18180 1 2101 . 1 1 175 175 VAL HG21 H 1 0.416 0.02 . 1 . . . . 175 VAL HG2 . 18180 1 2102 . 1 1 175 175 VAL HG22 H 1 0.416 0.02 . 1 . . . . 175 VAL HG2 . 18180 1 2103 . 1 1 175 175 VAL HG23 H 1 0.416 0.02 . 1 . . . . 175 VAL HG2 . 18180 1 2104 . 1 1 175 175 VAL C C 13 174.852 0.3 . 1 . . . . 175 VAL C . 18180 1 2105 . 1 1 175 175 VAL CA C 13 61.002 0.3 . 1 . . . . 175 VAL CA . 18180 1 2106 . 1 1 175 175 VAL CB C 13 30.123 0.3 . 1 . . . . 175 VAL CB . 18180 1 2107 . 1 1 175 175 VAL CG1 C 13 21.260 0.3 . 1 . . . . 175 VAL CG1 . 18180 1 2108 . 1 1 175 175 VAL CG2 C 13 20.841 0.3 . 1 . . . . 175 VAL CG2 . 18180 1 2109 . 1 1 175 175 VAL N N 15 127.914 0.3 . 1 . . . . 175 VAL N . 18180 1 2110 . 1 1 176 176 THR H H 1 6.576 0.02 . 1 . . . . 176 THR H . 18180 1 2111 . 1 1 176 176 THR HA H 1 2.432 0.02 . 1 . . . . 176 THR HA . 18180 1 2112 . 1 1 176 176 THR HB H 1 3.742 0.02 . 1 . . . . 176 THR HB . 18180 1 2113 . 1 1 176 176 THR HG21 H 1 0.672 0.02 . 1 . . . . 176 THR HG2 . 18180 1 2114 . 1 1 176 176 THR HG22 H 1 0.672 0.02 . 1 . . . . 176 THR HG2 . 18180 1 2115 . 1 1 176 176 THR HG23 H 1 0.672 0.02 . 1 . . . . 176 THR HG2 . 18180 1 2116 . 1 1 176 176 THR C C 13 172.475 0.3 . 1 . . . . 176 THR C . 18180 1 2117 . 1 1 176 176 THR CA C 13 57.297 0.3 . 1 . . . . 176 THR CA . 18180 1 2118 . 1 1 176 176 THR CB C 13 65.703 0.3 . 1 . . . . 176 THR CB . 18180 1 2119 . 1 1 176 176 THR CG2 C 13 20.661 0.3 . 1 . . . . 176 THR CG2 . 18180 1 2120 . 1 1 176 176 THR N N 15 118.911 0.3 . 1 . . . . 176 THR N . 18180 1 2121 . 1 1 177 177 ALA H H 1 7.119 0.02 . 1 . . . . 177 ALA H . 18180 1 2122 . 1 1 177 177 ALA HA H 1 4.316 0.02 . 1 . . . . 177 ALA HA . 18180 1 2123 . 1 1 177 177 ALA HB1 H 1 0.571 0.02 . 1 . . . . 177 ALA HB . 18180 1 2124 . 1 1 177 177 ALA HB2 H 1 0.571 0.02 . 1 . . . . 177 ALA HB . 18180 1 2125 . 1 1 177 177 ALA HB3 H 1 0.571 0.02 . 1 . . . . 177 ALA HB . 18180 1 2126 . 1 1 177 177 ALA C C 13 176.413 0.3 . 1 . . . . 177 ALA C . 18180 1 2127 . 1 1 177 177 ALA CA C 13 50.351 0.3 . 1 . . . . 177 ALA CA . 18180 1 2128 . 1 1 177 177 ALA CB C 13 21.720 0.3 . 1 . . . . 177 ALA CB . 18180 1 2129 . 1 1 177 177 ALA N N 15 121.554 0.3 . 1 . . . . 177 ALA N . 18180 1 2130 . 1 1 178 178 GLY H H 1 9.450 0.02 . 1 . . . . 178 GLY H . 18180 1 2131 . 1 1 178 178 GLY HA2 H 1 4.788 0.02 . 2 . . . . 178 GLY HA2 . 18180 1 2132 . 1 1 178 178 GLY HA3 H 1 4.140 0.02 . 2 . . . . 178 GLY HA3 . 18180 1 2133 . 1 1 178 178 GLY C C 13 174.146 0.3 . 1 . . . . 178 GLY C . 18180 1 2134 . 1 1 178 178 GLY CA C 13 44.919 0.3 . 1 . . . . 178 GLY CA . 18180 1 2135 . 1 1 178 178 GLY N N 15 108.948 0.3 . 1 . . . . 178 GLY N . 18180 1 2136 . 1 1 179 179 GLU H H 1 8.563 0.02 . 1 . . . . 179 GLU H . 18180 1 2137 . 1 1 179 179 GLU HA H 1 4.260 0.02 . 1 . . . . 179 GLU HA . 18180 1 2138 . 1 1 179 179 GLU HB2 H 1 2.040 0.02 . 2 . . . . 179 GLU HB2 . 18180 1 2139 . 1 1 179 179 GLU HB3 H 1 2.040 0.02 . 2 . . . . 179 GLU HB3 . 18180 1 2140 . 1 1 179 179 GLU HG2 H 1 2.310 0.02 . 2 . . . . 179 GLU HG2 . 18180 1 2141 . 1 1 179 179 GLU HG3 H 1 2.310 0.02 . 2 . . . . 179 GLU HG3 . 18180 1 2142 . 1 1 179 179 GLU C C 13 176.844 0.3 . 1 . . . . 179 GLU C . 18180 1 2143 . 1 1 179 179 GLU CA C 13 58.294 0.3 . 1 . . . . 179 GLU CA . 18180 1 2144 . 1 1 179 179 GLU CB C 13 30.000 0.3 . 1 . . . . 179 GLU CB . 18180 1 2145 . 1 1 179 179 GLU CG C 13 36.010 0.3 . 1 . . . . 179 GLU CG . 18180 1 2146 . 1 1 179 179 GLU N N 15 121.178 0.3 . 1 . . . . 179 GLU N . 18180 1 2147 . 1 1 180 180 ARG H H 1 8.724 0.02 . 1 . . . . 180 ARG H . 18180 1 2148 . 1 1 180 180 ARG HA H 1 4.746 0.02 . 1 . . . . 180 ARG HA . 18180 1 2149 . 1 1 180 180 ARG HB2 H 1 0.817 0.02 . 2 . . . . 180 ARG HB2 . 18180 1 2150 . 1 1 180 180 ARG HB3 H 1 1.669 0.02 . 2 . . . . 180 ARG HB3 . 18180 1 2151 . 1 1 180 180 ARG HD2 H 1 2.289 0.02 . 2 . . . . 180 ARG HD2 . 18180 1 2152 . 1 1 180 180 ARG HD3 H 1 1.734 0.02 . 2 . . . . 180 ARG HD3 . 18180 1 2153 . 1 1 180 180 ARG C C 13 174.731 0.3 . 1 . . . . 180 ARG C . 18180 1 2154 . 1 1 180 180 ARG CA C 13 53.833 0.3 . 1 . . . . 180 ARG CA . 18180 1 2155 . 1 1 180 180 ARG CB C 13 33.642 0.3 . 1 . . . . 180 ARG CB . 18180 1 2156 . 1 1 180 180 ARG CD C 13 43.124 0.3 . 1 . . . . 180 ARG CD . 18180 1 2157 . 1 1 180 180 ARG N N 15 126.601 0.3 . 1 . . . . 180 ARG N . 18180 1 2158 . 1 1 181 181 THR H H 1 8.340 0.02 . 1 . . . . 181 THR H . 18180 1 2159 . 1 1 181 181 THR HA H 1 4.407 0.02 . 1 . . . . 181 THR HA . 18180 1 2160 . 1 1 181 181 THR HB H 1 4.077 0.02 . 1 . . . . 181 THR HB . 18180 1 2161 . 1 1 181 181 THR HG21 H 1 1.104 0.02 . 1 . . . . 181 THR HG2 . 18180 1 2162 . 1 1 181 181 THR HG22 H 1 1.104 0.02 . 1 . . . . 181 THR HG2 . 18180 1 2163 . 1 1 181 181 THR HG23 H 1 1.104 0.02 . 1 . . . . 181 THR HG2 . 18180 1 2164 . 1 1 181 181 THR C C 13 175.074 0.3 . 1 . . . . 181 THR C . 18180 1 2165 . 1 1 181 181 THR CA C 13 61.533 0.3 . 1 . . . . 181 THR CA . 18180 1 2166 . 1 1 181 181 THR CB C 13 69.829 0.3 . 1 . . . . 181 THR CB . 18180 1 2167 . 1 1 181 181 THR CG2 C 13 22.092 0.3 . 1 . . . . 181 THR CG2 . 18180 1 2168 . 1 1 181 181 THR N N 15 111.588 0.3 . 1 . . . . 181 THR N . 18180 1 2169 . 1 1 182 182 ASP H H 1 8.930 0.02 . 1 . . . . 182 ASP H . 18180 1 2170 . 1 1 182 182 ASP HA H 1 4.545 0.02 . 1 . . . . 182 ASP HA . 18180 1 2171 . 1 1 182 182 ASP HB2 H 1 2.710 0.02 . 2 . . . . 182 ASP HB2 . 18180 1 2172 . 1 1 182 182 ASP HB3 H 1 2.814 0.02 . 2 . . . . 182 ASP HB3 . 18180 1 2173 . 1 1 182 182 ASP C C 13 176.816 0.3 . 1 . . . . 182 ASP C . 18180 1 2174 . 1 1 182 182 ASP CA C 13 53.852 0.3 . 1 . . . . 182 ASP CA . 18180 1 2175 . 1 1 182 182 ASP CB C 13 40.744 0.3 . 1 . . . . 182 ASP CB . 18180 1 2176 . 1 1 182 182 ASP N N 15 123.327 0.3 . 1 . . . . 182 ASP N . 18180 1 2177 . 1 1 183 183 LEU H H 1 8.002 0.02 . 1 . . . . 183 LEU H . 18180 1 2178 . 1 1 183 183 LEU HA H 1 4.232 0.02 . 1 . . . . 183 LEU HA . 18180 1 2179 . 1 1 183 183 LEU HB2 H 1 1.573 0.02 . 2 . . . . 183 LEU HB2 . 18180 1 2180 . 1 1 183 183 LEU HB3 H 1 1.494 0.02 . 2 . . . . 183 LEU HB3 . 18180 1 2181 . 1 1 183 183 LEU HG H 1 1.527 0.02 . 1 . . . . 183 LEU HG . 18180 1 2182 . 1 1 183 183 LEU HD11 H 1 0.839 0.02 . 1 . . . . 183 LEU HD1 . 18180 1 2183 . 1 1 183 183 LEU HD12 H 1 0.839 0.02 . 1 . . . . 183 LEU HD1 . 18180 1 2184 . 1 1 183 183 LEU HD13 H 1 0.839 0.02 . 1 . . . . 183 LEU HD1 . 18180 1 2185 . 1 1 183 183 LEU HD21 H 1 0.774 0.02 . 1 . . . . 183 LEU HD2 . 18180 1 2186 . 1 1 183 183 LEU HD22 H 1 0.774 0.02 . 1 . . . . 183 LEU HD2 . 18180 1 2187 . 1 1 183 183 LEU HD23 H 1 0.774 0.02 . 1 . . . . 183 LEU HD2 . 18180 1 2188 . 1 1 183 183 LEU C C 13 178.058 0.3 . 1 . . . . 183 LEU C . 18180 1 2189 . 1 1 183 183 LEU CA C 13 55.376 0.3 . 1 . . . . 183 LEU CA . 18180 1 2190 . 1 1 183 183 LEU CB C 13 42.090 0.3 . 1 . . . . 183 LEU CB . 18180 1 2191 . 1 1 183 183 LEU CG C 13 26.900 0.3 . 1 . . . . 183 LEU CG . 18180 1 2192 . 1 1 183 183 LEU CD1 C 13 25.140 0.3 . 1 . . . . 183 LEU CD1 . 18180 1 2193 . 1 1 183 183 LEU CD2 C 13 22.975 0.3 . 1 . . . . 183 LEU CD2 . 18180 1 2194 . 1 1 183 183 LEU N N 15 122.870 0.3 . 1 . . . . 183 LEU N . 18180 1 2195 . 1 1 184 184 GLU H H 1 8.282 0.02 . 1 . . . . 184 GLU H . 18180 1 2196 . 1 1 184 184 GLU HA H 1 4.153 0.02 . 1 . . . . 184 GLU HA . 18180 1 2197 . 1 1 184 184 GLU HB2 H 1 1.847 0.02 . 2 . . . . 184 GLU HB2 . 18180 1 2198 . 1 1 184 184 GLU HB3 H 1 1.881 0.02 . 2 . . . . 184 GLU HB3 . 18180 1 2199 . 1 1 184 184 GLU HG2 H 1 2.113 0.02 . 2 . . . . 184 GLU HG2 . 18180 1 2200 . 1 1 184 184 GLU HG3 H 1 2.202 0.02 . 2 . . . . 184 GLU HG3 . 18180 1 2201 . 1 1 184 184 GLU C C 13 176.767 0.3 . 1 . . . . 184 GLU C . 18180 1 2202 . 1 1 184 184 GLU CA C 13 56.645 0.3 . 1 . . . . 184 GLU CA . 18180 1 2203 . 1 1 184 184 GLU CB C 13 29.906 0.3 . 1 . . . . 184 GLU CB . 18180 1 2204 . 1 1 184 184 GLU CG C 13 36.074 0.3 . 1 . . . . 184 GLU CG . 18180 1 2205 . 1 1 184 184 GLU N N 15 119.642 0.3 . 1 . . . . 184 GLU N . 18180 1 2206 . 1 1 185 185 HIS H H 1 8.202 0.02 . 1 . . . . 185 HIS H . 18180 1 2207 . 1 1 185 185 HIS HD2 H 1 7.102 0.02 . 1 . . . . 185 HIS HD2 . 18180 1 2208 . 1 1 185 185 HIS CD2 C 13 119.840 0.3 . 1 . . . . 185 HIS CD2 . 18180 1 2209 . 1 1 185 185 HIS N N 15 118.677 0.3 . 1 . . . . 185 HIS N . 18180 1 stop_ save_