data_18215 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18215 _Entry.Title ; Solution NMR Structure of the uncharacterized protein from gene locus VNG_0733H of Halobacterium salinarium, Northeast Structural Genomics Consortium Target HsR50. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-01-24 _Entry.Accession_date 2012-01-24 _Entry.Last_release_date 2012-02-03 _Entry.Original_release_date 2012-02-03 _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 . . . 18215 2 Oliver Lange . F. . 18215 3 Hsiau-Wei Lee . . . 18215 4 Keith Hamilton . . . 18215 5 Colleen Ciccosanti . . . 18215 6 William Buchwald . A. . 18215 7 Huang Wang . . . 18215 8 Thomas Acton . B. . 18215 9 Rong Xiao . . . 18215 10 John Everett . K. . 18215 11 Gaetano Montelione . T. . 18215 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' . 18215 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG)' . 18215 'Protein NMR' . 18215 'Protein Structure Initiative' . 18215 PSI:Biology . 18215 'Structural Genomics' . 18215 'Target HsR50' . 18215 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18215 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 704 18215 '15N chemical shifts' 169 18215 '1H chemical shifts' 1023 18215 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 . . 2012-02-03 2012-01-24 original author . 18215 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LOK 'BMRB Entry Tracking System' 18215 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 18215 _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 VNG_0733H of Halobacterium salinarium, Northeast Structural Genomics Consortium Target HsR50.' _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 . . . 18215 1 2 Oliver Lange . F. . 18215 1 3 Hsiau-Wei Lee . . . 18215 1 4 Keith Hamilton . . . 18215 1 5 Colleen Ciccosanti . . . 18215 1 6 William Buchwald . A. . 18215 1 7 Huang Wang . . . 18215 1 8 Thomas Acton . B. . 18215 1 9 Rong Xiao . . . 18215 1 10 John Everett . K. . 18215 1 11 Gaetano Montelione . T. . 18215 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18215 _Assembly.ID 1 _Assembly.Name HsR50 _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 HsR50 1 $HsR50 A . yes native no no . . . 18215 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HsR50 _Entity.Sf_category entity _Entity.Sf_framecode HsR50 _Entity.Entry_ID 18215 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HsR50 _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 ; MSPIPLPVTDTDDAWRARIA AHRADKDEFLATHDQSPIPP ADRGAFDGLRYFDIDASFRV AARYQPARDPEAVELETTRG PPAEYTRAAVLGFDLGDSHH TLTAFRVEGESSLFVPFTDE TTDDGRTYEHGRYLDVDPAG ADGGDEVALDFNLAYNPFCA YGGSFSCALPPADNHVPAAI TAGERVDADLE ; _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 191 _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 20753.697 _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 2LOK . "Solution Nmr Structure Of The Uncharacterized Protein From Gene Locus Vng_0733h Of Halobacterium Salinarium, Northeast Structur" . . . . . 100.00 197 100.00 100.00 3.36e-132 . . . . 18215 1 2 no PDB 4DLH . "Crystal Structure Of The Protein Q9hre7 From Halobacterium Salinarium At The Resolution 1.9a, Northeast Structural Genomics Con" . . . . . 100.00 197 100.00 100.00 3.36e-132 . . . . 18215 1 3 no PDB 4FJ4 . "Crystal Structure Of The Protein Q9hre7 Complexed With Mercury From Halobacterium Salinarium At The Resolution 2.1a, Northeast " . . . . . 100.00 197 100.00 100.00 3.36e-132 . . . . 18215 1 4 no EMBL CAP13480 . "DUF1684 family protein [Halobacterium salinarum R1]" . . . . . 95.29 182 99.45 100.00 1.27e-124 . . . . 18215 1 5 no GB AAG19211 . "hypothetical protein VNG_0733H [Halobacterium sp. NRC-1]" . . . . . 98.95 189 100.00 100.00 7.28e-131 . . . . 18215 1 6 no REF WP_010902507 . "hypothetical protein [Halobacterium salinarum]" . . . . . 98.95 189 100.00 100.00 7.28e-131 . . . . 18215 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 . 18215 1 2 . SER . 18215 1 3 . PRO . 18215 1 4 . ILE . 18215 1 5 . PRO . 18215 1 6 . LEU . 18215 1 7 . PRO . 18215 1 8 . VAL . 18215 1 9 . THR . 18215 1 10 . ASP . 18215 1 11 . THR . 18215 1 12 . ASP . 18215 1 13 . ASP . 18215 1 14 . ALA . 18215 1 15 . TRP . 18215 1 16 . ARG . 18215 1 17 . ALA . 18215 1 18 . ARG . 18215 1 19 . ILE . 18215 1 20 . ALA . 18215 1 21 . ALA . 18215 1 22 . HIS . 18215 1 23 . ARG . 18215 1 24 . ALA . 18215 1 25 . ASP . 18215 1 26 . LYS . 18215 1 27 . ASP . 18215 1 28 . GLU . 18215 1 29 . PHE . 18215 1 30 . LEU . 18215 1 31 . ALA . 18215 1 32 . THR . 18215 1 33 . HIS . 18215 1 34 . ASP . 18215 1 35 . GLN . 18215 1 36 . SER . 18215 1 37 . PRO . 18215 1 38 . ILE . 18215 1 39 . PRO . 18215 1 40 . PRO . 18215 1 41 . ALA . 18215 1 42 . ASP . 18215 1 43 . ARG . 18215 1 44 . GLY . 18215 1 45 . ALA . 18215 1 46 . PHE . 18215 1 47 . ASP . 18215 1 48 . GLY . 18215 1 49 . LEU . 18215 1 50 . ARG . 18215 1 51 . TYR . 18215 1 52 . PHE . 18215 1 53 . ASP . 18215 1 54 . ILE . 18215 1 55 . ASP . 18215 1 56 . ALA . 18215 1 57 . SER . 18215 1 58 . PHE . 18215 1 59 . ARG . 18215 1 60 . VAL . 18215 1 61 . ALA . 18215 1 62 . ALA . 18215 1 63 . ARG . 18215 1 64 . TYR . 18215 1 65 . GLN . 18215 1 66 . PRO . 18215 1 67 . ALA . 18215 1 68 . ARG . 18215 1 69 . ASP . 18215 1 70 . PRO . 18215 1 71 . GLU . 18215 1 72 . ALA . 18215 1 73 . VAL . 18215 1 74 . GLU . 18215 1 75 . LEU . 18215 1 76 . GLU . 18215 1 77 . THR . 18215 1 78 . THR . 18215 1 79 . ARG . 18215 1 80 . GLY . 18215 1 81 . PRO . 18215 1 82 . PRO . 18215 1 83 . ALA . 18215 1 84 . GLU . 18215 1 85 . TYR . 18215 1 86 . THR . 18215 1 87 . ARG . 18215 1 88 . ALA . 18215 1 89 . ALA . 18215 1 90 . VAL . 18215 1 91 . LEU . 18215 1 92 . GLY . 18215 1 93 . PHE . 18215 1 94 . ASP . 18215 1 95 . LEU . 18215 1 96 . GLY . 18215 1 97 . ASP . 18215 1 98 . SER . 18215 1 99 . HIS . 18215 1 100 . HIS . 18215 1 101 . THR . 18215 1 102 . LEU . 18215 1 103 . THR . 18215 1 104 . ALA . 18215 1 105 . PHE . 18215 1 106 . ARG . 18215 1 107 . VAL . 18215 1 108 . GLU . 18215 1 109 . GLY . 18215 1 110 . GLU . 18215 1 111 . SER . 18215 1 112 . SER . 18215 1 113 . LEU . 18215 1 114 . PHE . 18215 1 115 . VAL . 18215 1 116 . PRO . 18215 1 117 . PHE . 18215 1 118 . THR . 18215 1 119 . ASP . 18215 1 120 . GLU . 18215 1 121 . THR . 18215 1 122 . THR . 18215 1 123 . ASP . 18215 1 124 . ASP . 18215 1 125 . GLY . 18215 1 126 . ARG . 18215 1 127 . THR . 18215 1 128 . TYR . 18215 1 129 . GLU . 18215 1 130 . HIS . 18215 1 131 . GLY . 18215 1 132 . ARG . 18215 1 133 . TYR . 18215 1 134 . LEU . 18215 1 135 . ASP . 18215 1 136 . VAL . 18215 1 137 . ASP . 18215 1 138 . PRO . 18215 1 139 . ALA . 18215 1 140 . GLY . 18215 1 141 . ALA . 18215 1 142 . ASP . 18215 1 143 . GLY . 18215 1 144 . GLY . 18215 1 145 . ASP . 18215 1 146 . GLU . 18215 1 147 . VAL . 18215 1 148 . ALA . 18215 1 149 . LEU . 18215 1 150 . ASP . 18215 1 151 . PHE . 18215 1 152 . ASN . 18215 1 153 . LEU . 18215 1 154 . ALA . 18215 1 155 . TYR . 18215 1 156 . ASN . 18215 1 157 . PRO . 18215 1 158 . PHE . 18215 1 159 . CYS . 18215 1 160 . ALA . 18215 1 161 . TYR . 18215 1 162 . GLY . 18215 1 163 . GLY . 18215 1 164 . SER . 18215 1 165 . PHE . 18215 1 166 . SER . 18215 1 167 . CYS . 18215 1 168 . ALA . 18215 1 169 . LEU . 18215 1 170 . PRO . 18215 1 171 . PRO . 18215 1 172 . ALA . 18215 1 173 . ASP . 18215 1 174 . ASN . 18215 1 175 . HIS . 18215 1 176 . VAL . 18215 1 177 . PRO . 18215 1 178 . ALA . 18215 1 179 . ALA . 18215 1 180 . ILE . 18215 1 181 . THR . 18215 1 182 . ALA . 18215 1 183 . GLY . 18215 1 184 . GLU . 18215 1 185 . ARG . 18215 1 186 . VAL . 18215 1 187 . ASP . 18215 1 188 . ALA . 18215 1 189 . ASP . 18215 1 190 . LEU . 18215 1 191 . GLU . 18215 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 18215 1 . SER 2 2 18215 1 . PRO 3 3 18215 1 . ILE 4 4 18215 1 . PRO 5 5 18215 1 . LEU 6 6 18215 1 . PRO 7 7 18215 1 . VAL 8 8 18215 1 . THR 9 9 18215 1 . ASP 10 10 18215 1 . THR 11 11 18215 1 . ASP 12 12 18215 1 . ASP 13 13 18215 1 . ALA 14 14 18215 1 . TRP 15 15 18215 1 . ARG 16 16 18215 1 . ALA 17 17 18215 1 . ARG 18 18 18215 1 . ILE 19 19 18215 1 . ALA 20 20 18215 1 . ALA 21 21 18215 1 . HIS 22 22 18215 1 . ARG 23 23 18215 1 . ALA 24 24 18215 1 . ASP 25 25 18215 1 . LYS 26 26 18215 1 . ASP 27 27 18215 1 . GLU 28 28 18215 1 . PHE 29 29 18215 1 . LEU 30 30 18215 1 . ALA 31 31 18215 1 . THR 32 32 18215 1 . HIS 33 33 18215 1 . ASP 34 34 18215 1 . GLN 35 35 18215 1 . SER 36 36 18215 1 . PRO 37 37 18215 1 . ILE 38 38 18215 1 . PRO 39 39 18215 1 . PRO 40 40 18215 1 . ALA 41 41 18215 1 . ASP 42 42 18215 1 . ARG 43 43 18215 1 . GLY 44 44 18215 1 . ALA 45 45 18215 1 . PHE 46 46 18215 1 . ASP 47 47 18215 1 . GLY 48 48 18215 1 . LEU 49 49 18215 1 . ARG 50 50 18215 1 . TYR 51 51 18215 1 . PHE 52 52 18215 1 . ASP 53 53 18215 1 . ILE 54 54 18215 1 . ASP 55 55 18215 1 . ALA 56 56 18215 1 . SER 57 57 18215 1 . PHE 58 58 18215 1 . ARG 59 59 18215 1 . VAL 60 60 18215 1 . ALA 61 61 18215 1 . ALA 62 62 18215 1 . ARG 63 63 18215 1 . TYR 64 64 18215 1 . GLN 65 65 18215 1 . PRO 66 66 18215 1 . ALA 67 67 18215 1 . ARG 68 68 18215 1 . ASP 69 69 18215 1 . PRO 70 70 18215 1 . GLU 71 71 18215 1 . ALA 72 72 18215 1 . VAL 73 73 18215 1 . GLU 74 74 18215 1 . LEU 75 75 18215 1 . GLU 76 76 18215 1 . THR 77 77 18215 1 . THR 78 78 18215 1 . ARG 79 79 18215 1 . GLY 80 80 18215 1 . PRO 81 81 18215 1 . PRO 82 82 18215 1 . ALA 83 83 18215 1 . GLU 84 84 18215 1 . TYR 85 85 18215 1 . THR 86 86 18215 1 . ARG 87 87 18215 1 . ALA 88 88 18215 1 . ALA 89 89 18215 1 . VAL 90 90 18215 1 . LEU 91 91 18215 1 . GLY 92 92 18215 1 . PHE 93 93 18215 1 . ASP 94 94 18215 1 . LEU 95 95 18215 1 . GLY 96 96 18215 1 . ASP 97 97 18215 1 . SER 98 98 18215 1 . HIS 99 99 18215 1 . HIS 100 100 18215 1 . THR 101 101 18215 1 . LEU 102 102 18215 1 . THR 103 103 18215 1 . ALA 104 104 18215 1 . PHE 105 105 18215 1 . ARG 106 106 18215 1 . VAL 107 107 18215 1 . GLU 108 108 18215 1 . GLY 109 109 18215 1 . GLU 110 110 18215 1 . SER 111 111 18215 1 . SER 112 112 18215 1 . LEU 113 113 18215 1 . PHE 114 114 18215 1 . VAL 115 115 18215 1 . PRO 116 116 18215 1 . PHE 117 117 18215 1 . THR 118 118 18215 1 . ASP 119 119 18215 1 . GLU 120 120 18215 1 . THR 121 121 18215 1 . THR 122 122 18215 1 . ASP 123 123 18215 1 . ASP 124 124 18215 1 . GLY 125 125 18215 1 . ARG 126 126 18215 1 . THR 127 127 18215 1 . TYR 128 128 18215 1 . GLU 129 129 18215 1 . HIS 130 130 18215 1 . GLY 131 131 18215 1 . ARG 132 132 18215 1 . TYR 133 133 18215 1 . LEU 134 134 18215 1 . ASP 135 135 18215 1 . VAL 136 136 18215 1 . ASP 137 137 18215 1 . PRO 138 138 18215 1 . ALA 139 139 18215 1 . GLY 140 140 18215 1 . ALA 141 141 18215 1 . ASP 142 142 18215 1 . GLY 143 143 18215 1 . GLY 144 144 18215 1 . ASP 145 145 18215 1 . GLU 146 146 18215 1 . VAL 147 147 18215 1 . ALA 148 148 18215 1 . LEU 149 149 18215 1 . ASP 150 150 18215 1 . PHE 151 151 18215 1 . ASN 152 152 18215 1 . LEU 153 153 18215 1 . ALA 154 154 18215 1 . TYR 155 155 18215 1 . ASN 156 156 18215 1 . PRO 157 157 18215 1 . PHE 158 158 18215 1 . CYS 159 159 18215 1 . ALA 160 160 18215 1 . TYR 161 161 18215 1 . GLY 162 162 18215 1 . GLY 163 163 18215 1 . SER 164 164 18215 1 . PHE 165 165 18215 1 . SER 166 166 18215 1 . CYS 167 167 18215 1 . ALA 168 168 18215 1 . LEU 169 169 18215 1 . PRO 170 170 18215 1 . PRO 171 171 18215 1 . ALA 172 172 18215 1 . ASP 173 173 18215 1 . ASN 174 174 18215 1 . HIS 175 175 18215 1 . VAL 176 176 18215 1 . PRO 177 177 18215 1 . ALA 178 178 18215 1 . ALA 179 179 18215 1 . ILE 180 180 18215 1 . THR 181 181 18215 1 . ALA 182 182 18215 1 . GLY 183 183 18215 1 . GLU 184 184 18215 1 . ARG 185 185 18215 1 . VAL 186 186 18215 1 . ASP 187 187 18215 1 . ALA 188 188 18215 1 . ASP 189 189 18215 1 . LEU 190 190 18215 1 . GLU 191 191 18215 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 18215 _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 $HsR50 . 2242 organism . 'Halobacterium salinarium' 'Halobacterium salinarium' . . Archaea . Halobacterium salinarium . . . . . . . . . . . . . . . . . . . . . 18215 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 18215 _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 $HsR50 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET21_NESG . . . . . . 18215 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18215 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.726 mM hsr50.005, 90% H2O/10% 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 hsr50.005 '[U-100% 13C; U-100% 15N]' . . 1 $HsR50 . . 0.726 . . mM . . . . 18215 1 2 'Proteinase Inhibitors' 'natural abundance' . . . . . . 1 . . x . . . . 18215 1 3 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 18215 1 4 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 18215 1 5 CaCL2 'natural abundance' . . . . . . 5 . . mM . . . . 18215 1 6 NaCL 'natural abundance' . . . . . . 200 . . mM . . . . 18215 1 7 'MES pH 6.5' 'natural abundance' . . . . . . 20 . . mM . . . . 18215 1 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18215 1 9 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 18215 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18215 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.726 mM hsr50.005, 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 hsr50.009 '[U-100% 13C; U-100% 15N; U-2H]' . . 1 $HsR50 . . 0.800 . . mM . . . . 18215 2 2 'Proteinase Inhibitors' 'natural abundance' . . . . . . 1 . . x . . . . 18215 2 3 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 18215 2 4 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 18215 2 5 CaCL2 'natural abundance' . . . . . . 5 . . mM . . . . 18215 2 6 NaCL 'natural abundance' . . . . . . 200 . . mM . . . . 18215 2 7 'MES pH 6.5' 'natural abundance' . . . . . . 20 . . mM . . . . 18215 2 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18215 2 9 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 18215 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 18215 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.726 mM hsr50.005, 90% H2O/10% 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 hsr50.007 '[U-100% 13C; U-100% 15N]' . . 1 $HsR50 . . 0.674 . . mM . . . . 18215 3 2 'Proteinase Inhibitors' 'natural abundance' . . . . . . 1 . . x . . . . 18215 3 3 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 18215 3 4 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 18215 3 5 CaCL2 'natural abundance' . . . . . . 5 . . mM . . . . 18215 3 6 NaCL 'natural abundance' . . . . . . 200 . . mM . . . . 18215 3 7 'MES pH 6.5' 'natural abundance' . . . . . . 20 . . mM . . . . 18215 3 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18215 3 9 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 18215 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 18215 _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 18215 1 pressure 1 . atm 18215 1 temperature 298 . K 18215 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 18215 _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' . . 18215 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'refinemen,structure solution,geometry optimization' 18215 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18215 _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' . . 18215 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'refinement,geometry optimization,structure solution' 18215 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18215 _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' . . 18215 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18215 3 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18215 _Software.ID 4 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18215 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18215 4 stop_ save_ save_PINE _Software.Sf_category software _Software.Sf_framecode PINE _Software.Entry_ID 18215 _Software.ID 5 _Software.Name PINE _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bahrami, Markley, Assadi, and Eghbalnia' . . 18215 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18215 5 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18215 _Software.ID 6 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18215 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18215 6 stop_ save_ save_TALOS+ _Software.Sf_category software _Software.Sf_framecode TALOS+ _Software.Entry_ID 18215 _Software.ID 7 _Software.Name TALOS+ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Shen, Cornilescu, Delaglio and Bax' . . 18215 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 18215 7 stop_ save_ save_PALES _Software.Sf_category software _Software.Sf_framecode PALES _Software.Entry_ID 18215 _Software.ID 8 _Software.Name PALES _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'PALES (Zweckstetter, Bax)' . . 18215 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 18215 8 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 18215 _Software.ID 9 _Software.Name PSVS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya, Montelione' . . 18215 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure validation' 18215 9 stop_ save_ save_PDBSTAT _Software.Sf_category software _Software.Sf_framecode PDBSTAT _Software.Entry_ID 18215 _Software.ID 10 _Software.Name PDBStat _Software.Version 5.5-exp _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Tejero; Montelione' . . 18215 10 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure validation' 18215 10 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 18215 _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 18215 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 18215 _NMR_spectrometer.ID 3 _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 18215 _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 . . . 18215 1 2 spectrometer_2 Bruker Avance . 900 . . . 18215 1 3 spectrometer_3 Varian INOVA . 600 . . . 18215 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 18215 _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 . . . . . . . . . . . . . . . . 18215 1 2 '2D 1H-13C HSQC' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18215 1 3 '3D HNCO' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18215 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18215 1 5 '3D HNCACB' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18215 1 6 '3D 1H-13C arom NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18215 1 7 cCH_NOESY no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18215 1 8 nNH_NOESY yes . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18215 1 9 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18215 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18215 1 11 '3D HCCH-TOCSY' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18215 1 12 '3D 1H-13C NOESY aliphatic' yes . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18215 1 13 '3D 1H-13C NOESY aliphatic' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18215 1 14 '3D 1H-13C NOESY aromatic' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18215 1 15 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18215 1 16 '3D 1H-15N NOESY' yes . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18215 1 17 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 anisotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 18215 1 18 '3D HA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18215 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 18215 _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/bmr18215/timedomain_data/HsR50_raw_data/B800/HsR50.005_090409_NC/hsqc/ . . . . . . . 18215 1 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18215/timedomain_data/HsR50_raw_data/B800/HsR50.005_090409_NC/hsqc/ . . . . . . . 18215 1 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18215/timedomain_data/HsR50_raw_data/B800/HsR50.005_090409_NC/hsqc/ . . . . . . . 18215 1 . 'NMR Experimental Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18215/timedomain_data/HsR50_raw_data/B800/HsR50.005_090409_NC/hsqc/ . . . . . . . 18215 1 stop_ save_ save_NMR_spectrometer_expt_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_2 _NMR_spec_expt.Entry_ID 18215 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D 1H-13C HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqu 'acquisition parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18215/timedomain_data/HsR50_raw_data/B800/HsR50.005_090409_NC/HSQC_second/ . . . . . . . 18215 2 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18215/timedomain_data/HsR50_raw_data/B800/HsR50.005_090409_NC/HSQC_second/ . . . . . . . 18215 2 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18215/timedomain_data/HsR50_raw_data/B800/HsR50.005_090409_NC/HSQC_second/ . . . . . . . 18215 2 . 'NMR Experimental Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18215/timedomain_data/HsR50_raw_data/B800/HsR50.005_090409_NC/HSQC_second/ . . . . . . . 18215 2 stop_ save_ save_NMR_spectrometer_expt_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_3 _NMR_spec_expt.Entry_ID 18215 _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/bmr18215/timedomain_data/HsR50_raw_data/B800/HsR50.005_090409_NC/HNCO/ . . . . . . . 18215 3 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18215/timedomain_data/HsR50_raw_data/B800/HsR50.005_090409_NC/HNCO/ . . . . . . . 18215 3 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18215/timedomain_data/HsR50_raw_data/B800/HsR50.005_090409_NC/HNCO/ . . . . . . . 18215 3 . 'NMR Experimental Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18215/timedomain_data/HsR50_raw_data/B800/HsR50.005_090409_NC/HNCO/ . . . . . . . 18215 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 18215 _NMR_spec_expt.ID 4 _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/bmr18215/timedomain_data/HsR50_raw_data/B800/HsR50.005_090409_NC/HNCACB/ . . . . . . . 18215 4 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18215/timedomain_data/HsR50_raw_data/B800/HsR50.005_090409_NC/HNCACB/ . . . . . . . 18215 4 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18215/timedomain_data/HsR50_raw_data/B800/HsR50.005_090409_NC/HNCACB/ . . . . . . . 18215 4 . 'NMR Experimental Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18215/timedomain_data/HsR50_raw_data/B800/HsR50.005_090409_NC/HNCACB/ . . . . . . . 18215 4 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 18215 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name nNH_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/bmr18215/timedomain_data/HsR50_raw_data/B800/HsR50.005_090409_NC/HNN_noesy/ . . . . . . . 18215 5 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18215/timedomain_data/HsR50_raw_data/B800/HsR50.005_090409_NC/HNN_noesy/ . . . . . . . 18215 5 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18215/timedomain_data/HsR50_raw_data/B800/HsR50.005_090409_NC/HNN_noesy/ . . . . . . . 18215 5 . 'NMR Experimental Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18215/timedomain_data/HsR50_raw_data/B800/HsR50.005_090409_NC/HNN_noesy/ . . . . . . . 18215 5 stop_ save_ save_NMR_spectrometer_expt_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_11 _NMR_spec_expt.Entry_ID 18215 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D HCCH-TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqu 'acquisition parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18215/timedomain_data/HsR50_raw_data/B800/HsR50.005_090409_NC/CCH_TOCSY/ . . . . . . . 18215 6 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18215/timedomain_data/HsR50_raw_data/B800/HsR50.005_090409_NC/CCH_TOCSY/ . . . . . . . 18215 6 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18215/timedomain_data/HsR50_raw_data/B800/HsR50.005_090409_NC/CCH_TOCSY/ . . . . . . . 18215 6 . 'NMR Experimental Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18215/timedomain_data/HsR50_raw_data/B800/HsR50.005_090409_NC/CCH_TOCSY/ . . . . . . . 18215 6 stop_ save_ save_NMR_spectrometer_expt_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_12 _NMR_spec_expt.Entry_ID 18215 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D 1H-13C NOESY aliphatic' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 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/bmr18215/timedomain_data/HsR50_raw_data/B800/HsR50.005_090409_NC/ali_noesy/ . . . . . . . 18215 7 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18215/timedomain_data/HsR50_raw_data/B800/HsR50.005_090409_NC/ali_noesy/ . . . . . . . 18215 7 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18215/timedomain_data/HsR50_raw_data/B800/HsR50.005_090409_NC/ali_noesy/ . . . . . . . 18215 7 . 'NMR Experimental Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18215/timedomain_data/HsR50_raw_data/B800/HsR50.005_090409_NC/ali_noesy/ . . . . . . . 18215 7 stop_ save_ save_NMR_spectrometer_expt_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_13 _NMR_spec_expt.Entry_ID 18215 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '3D 1H-13C NOESY aliphatic' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqu 'acquisition parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18215/timedomain_data/HsR50_raw_data/B900/ali_noesy_d2o/ . . . . . . . 18215 8 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18215/timedomain_data/HsR50_raw_data/B900/ali_noesy_d2o/ . . . . . . . 18215 8 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18215/timedomain_data/HsR50_raw_data/B900/ali_noesy_d2o/ . . . . . . . 18215 8 . 'NMR Experimental Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18215/timedomain_data/HsR50_raw_data/B900/ali_noesy_d2o/ . . . . . . . 18215 8 stop_ save_ save_NMR_spectrometer_expt_14 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_14 _NMR_spec_expt.Entry_ID 18215 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '3D 1H-13C NOESY aromatic' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqu 'acquisition parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18215/timedomain_data/HsR50_raw_data/B900/aro_noesy_d2o/ . . . . . . . 18215 9 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18215/timedomain_data/HsR50_raw_data/B900/aro_noesy_d2o/ . . . . . . . 18215 9 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18215/timedomain_data/HsR50_raw_data/B900/aro_noesy_d2o/ . . . . . . . 18215 9 . 'NMR Experimental Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18215/timedomain_data/HsR50_raw_data/B900/aro_noesy_d2o/ . . . . . . . 18215 9 stop_ save_ save_NMR_spectrometer_expt_16 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_16 _NMR_spec_expt.Entry_ID 18215 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '3D 1H-15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqu 'acquisition parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18215/timedomain_data/HsR50_raw_data/B800/HsR50.005_090409_NC/N_noesy/ . . . . . . . 18215 10 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18215/timedomain_data/HsR50_raw_data/B800/HsR50.005_090409_NC/N_noesy/ . . . . . . . 18215 10 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18215/timedomain_data/HsR50_raw_data/B800/HsR50.005_090409_NC/N_noesy/ . . . . . . . 18215 10 . 'NMR Experimental Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18215/timedomain_data/HsR50_raw_data/B800/HsR50.005_090409_NC/N_noesy/ . . . . . . . 18215 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 18215 _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 . . . . . . . . . 18215 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18215 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18215 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 18215 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _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' . . . 18215 1 2 '2D 1H-13C HSQC' . . . 18215 1 3 '3D HNCO' . . . 18215 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 3 3 PRO CA C 13 62.685 0.3 . 1 . . . . 3 Pro CA . 18215 1 2 . 1 1 3 3 PRO CB C 13 32.529 0.3 . 1 . . . . 3 Pro CB . 18215 1 3 . 1 1 4 4 ILE H H 1 8.329 0.02 . 1 . . . . 4 Ile H . 18215 1 4 . 1 1 4 4 ILE HA H 1 4.511 0.02 . 1 . . . . 4 Ile HA . 18215 1 5 . 1 1 4 4 ILE HB H 1 1.857 0.02 . 1 . . . . 4 Ile HB . 18215 1 6 . 1 1 4 4 ILE HG12 H 1 1.518 0.02 . 2 . . . . 4 Ile HG12 . 18215 1 7 . 1 1 4 4 ILE HG13 H 1 1.196 0.02 . 2 . . . . 4 Ile HG13 . 18215 1 8 . 1 1 4 4 ILE HG21 H 1 0.957 0.02 . 1 . . . . 4 Ile HG2 . 18215 1 9 . 1 1 4 4 ILE HG22 H 1 0.957 0.02 . 1 . . . . 4 Ile HG2 . 18215 1 10 . 1 1 4 4 ILE HG23 H 1 0.957 0.02 . 1 . . . . 4 Ile HG2 . 18215 1 11 . 1 1 4 4 ILE HD11 H 1 0.860 0.02 . 1 . . . . 4 Ile HD1 . 18215 1 12 . 1 1 4 4 ILE HD12 H 1 0.860 0.02 . 1 . . . . 4 Ile HD1 . 18215 1 13 . 1 1 4 4 ILE HD13 H 1 0.860 0.02 . 1 . . . . 4 Ile HD1 . 18215 1 14 . 1 1 4 4 ILE CA C 13 59.176 0.3 . 1 . . . . 4 Ile CA . 18215 1 15 . 1 1 4 4 ILE CB C 13 38.662 0.3 . 1 . . . . 4 Ile CB . 18215 1 16 . 1 1 4 4 ILE CG1 C 13 26.968 0.3 . 1 . . . . 4 Ile CG1 . 18215 1 17 . 1 1 4 4 ILE CG2 C 13 17.068 0.3 . 1 . . . . 4 Ile CG2 . 18215 1 18 . 1 1 4 4 ILE CD1 C 13 12.966 0.3 . 1 . . . . 4 Ile CD1 . 18215 1 19 . 1 1 4 4 ILE N N 15 119.033 0.3 . 1 . . . . 4 Ile N . 18215 1 20 . 1 1 5 5 PRO HA H 1 4.408 0.02 . 1 . . . . 5 Pro HA . 18215 1 21 . 1 1 5 5 PRO HB2 H 1 2.266 0.02 . 2 . . . . 5 Pro HB2 . 18215 1 22 . 1 1 5 5 PRO HB3 H 1 1.861 0.02 . 2 . . . . 5 Pro HB3 . 18215 1 23 . 1 1 5 5 PRO HG2 H 1 1.987 0.02 . 2 . . . . 5 Pro HG2 . 18215 1 24 . 1 1 5 5 PRO HG3 H 1 1.989 0.02 . 2 . . . . 5 Pro HG3 . 18215 1 25 . 1 1 5 5 PRO HD2 H 1 3.887 0.02 . 2 . . . . 5 Pro HD2 . 18215 1 26 . 1 1 5 5 PRO HD3 H 1 3.682 0.02 . 2 . . . . 5 Pro HD3 . 18215 1 27 . 1 1 5 5 PRO CA C 13 62.972 0.3 . 1 . . . . 5 Pro CA . 18215 1 28 . 1 1 5 5 PRO CB C 13 32.001 0.3 . 1 . . . . 5 Pro CB . 18215 1 29 . 1 1 5 5 PRO CG C 13 27.465 0.3 . 1 . . . . 5 Pro CG . 18215 1 30 . 1 1 5 5 PRO CD C 13 51.181 0.3 . 1 . . . . 5 Pro CD . 18215 1 31 . 1 1 6 6 LEU H H 1 8.300 0.02 . 1 . . . . 6 Leu H . 18215 1 32 . 1 1 6 6 LEU HA H 1 4.564 0.02 . 1 . . . . 6 Leu HA . 18215 1 33 . 1 1 6 6 LEU HB2 H 1 1.562 0.02 . 2 . . . . 6 Leu HB2 . 18215 1 34 . 1 1 6 6 LEU HB3 H 1 1.562 0.02 . 2 . . . . 6 Leu HB3 . 18215 1 35 . 1 1 6 6 LEU HG H 1 1.697 0.02 . 1 . . . . 6 Leu HG . 18215 1 36 . 1 1 6 6 LEU HD11 H 1 0.920 0.02 . 2 . . . . 6 Leu HD1 . 18215 1 37 . 1 1 6 6 LEU HD12 H 1 0.920 0.02 . 2 . . . . 6 Leu HD1 . 18215 1 38 . 1 1 6 6 LEU HD13 H 1 0.920 0.02 . 2 . . . . 6 Leu HD1 . 18215 1 39 . 1 1 6 6 LEU HD21 H 1 0.875 0.02 . 2 . . . . 6 Leu HD2 . 18215 1 40 . 1 1 6 6 LEU HD22 H 1 0.875 0.02 . 2 . . . . 6 Leu HD2 . 18215 1 41 . 1 1 6 6 LEU HD23 H 1 0.875 0.02 . 2 . . . . 6 Leu HD2 . 18215 1 42 . 1 1 6 6 LEU CA C 13 53.069 0.3 . 1 . . . . 6 Leu CA . 18215 1 43 . 1 1 6 6 LEU CB C 13 41.681 0.3 . 1 . . . . 6 Leu CB . 18215 1 44 . 1 1 6 6 LEU CG C 13 27.023 0.3 . 1 . . . . 6 Leu CG . 18215 1 45 . 1 1 6 6 LEU CD1 C 13 25.274 0.3 . 2 . . . . 6 Leu CD1 . 18215 1 46 . 1 1 6 6 LEU CD2 C 13 23.290 0.3 . 2 . . . . 6 Leu CD2 . 18215 1 47 . 1 1 6 6 LEU N N 15 123.810 0.3 . 1 . . . . 6 Leu N . 18215 1 48 . 1 1 7 7 PRO HA H 1 4.458 0.02 . 1 . . . . 7 Pro HA . 18215 1 49 . 1 1 7 7 PRO HB2 H 1 2.280 0.02 . 2 . . . . 7 Pro HB2 . 18215 1 50 . 1 1 7 7 PRO HB3 H 1 2.078 0.02 . 2 . . . . 7 Pro HB3 . 18215 1 51 . 1 1 7 7 PRO HG2 H 1 2.032 0.02 . 2 . . . . 7 Pro HG2 . 18215 1 52 . 1 1 7 7 PRO HG3 H 1 2.032 0.02 . 2 . . . . 7 Pro HG3 . 18215 1 53 . 1 1 7 7 PRO HD2 H 1 3.850 0.02 . 2 . . . . 7 Pro HD2 . 18215 1 54 . 1 1 7 7 PRO HD3 H 1 3.637 0.02 . 2 . . . . 7 Pro HD3 . 18215 1 55 . 1 1 7 7 PRO C C 13 177.047 0.3 . 1 . . . . 7 Pro C . 18215 1 56 . 1 1 7 7 PRO CA C 13 63.031 0.3 . 1 . . . . 7 Pro CA . 18215 1 57 . 1 1 7 7 PRO CB C 13 32.032 0.3 . 1 . . . . 7 Pro CB . 18215 1 58 . 1 1 7 7 PRO CG C 13 27.494 0.3 . 1 . . . . 7 Pro CG . 18215 1 59 . 1 1 7 7 PRO CD C 13 50.638 0.3 . 1 . . . . 7 Pro CD . 18215 1 60 . 1 1 8 8 VAL H H 1 8.307 0.02 . 1 . . . . 8 Val H . 18215 1 61 . 1 1 8 8 VAL HA H 1 4.144 0.02 . 1 . . . . 8 Val HA . 18215 1 62 . 1 1 8 8 VAL HB H 1 2.111 0.02 . 1 . . . . 8 Val HB . 18215 1 63 . 1 1 8 8 VAL HG11 H 1 0.970 0.02 . 2 . . . . 8 Val HG1 . 18215 1 64 . 1 1 8 8 VAL HG12 H 1 0.970 0.02 . 2 . . . . 8 Val HG1 . 18215 1 65 . 1 1 8 8 VAL HG13 H 1 0.970 0.02 . 2 . . . . 8 Val HG1 . 18215 1 66 . 1 1 8 8 VAL HG21 H 1 0.953 0.02 . 2 . . . . 8 Val HG2 . 18215 1 67 . 1 1 8 8 VAL HG22 H 1 0.953 0.02 . 2 . . . . 8 Val HG2 . 18215 1 68 . 1 1 8 8 VAL HG23 H 1 0.953 0.02 . 2 . . . . 8 Val HG2 . 18215 1 69 . 1 1 8 8 VAL C C 13 176.614 0.3 . 1 . . . . 8 Val C . 18215 1 70 . 1 1 8 8 VAL CA C 13 62.835 0.3 . 1 . . . . 8 Val CA . 18215 1 71 . 1 1 8 8 VAL CB C 13 32.477 0.3 . 1 . . . . 8 Val CB . 18215 1 72 . 1 1 8 8 VAL CG1 C 13 20.500 0.3 . 2 . . . . 8 Val CG1 . 18215 1 73 . 1 1 8 8 VAL CG2 C 13 21.220 0.3 . 2 . . . . 8 Val CG2 . 18215 1 74 . 1 1 8 8 VAL N N 15 120.249 0.3 . 1 . . . . 8 Val N . 18215 1 75 . 1 1 9 9 THR H H 1 8.118 0.02 . 1 . . . . 9 Thr H . 18215 1 76 . 1 1 9 9 THR HA H 1 4.361 0.02 . 1 . . . . 9 Thr HA . 18215 1 77 . 1 1 9 9 THR HB H 1 4.265 0.02 . 1 . . . . 9 Thr HB . 18215 1 78 . 1 1 9 9 THR HG21 H 1 1.194 0.02 . 1 . . . . 9 Thr HG2 . 18215 1 79 . 1 1 9 9 THR HG22 H 1 1.194 0.02 . 1 . . . . 9 Thr HG2 . 18215 1 80 . 1 1 9 9 THR HG23 H 1 1.194 0.02 . 1 . . . . 9 Thr HG2 . 18215 1 81 . 1 1 9 9 THR C C 13 174.164 0.3 . 1 . . . . 9 Thr C . 18215 1 82 . 1 1 9 9 THR CA C 13 61.708 0.3 . 1 . . . . 9 Thr CA . 18215 1 83 . 1 1 9 9 THR CB C 13 69.916 0.3 . 1 . . . . 9 Thr CB . 18215 1 84 . 1 1 9 9 THR CG2 C 13 21.701 0.3 . 1 . . . . 9 Thr CG2 . 18215 1 85 . 1 1 9 9 THR N N 15 116.288 0.3 . 1 . . . . 9 Thr N . 18215 1 86 . 1 1 10 10 ASP H H 1 8.353 0.02 . 1 . . . . 10 Asp H . 18215 1 87 . 1 1 10 10 ASP HA H 1 4.779 0.02 . 1 . . . . 10 Asp HA . 18215 1 88 . 1 1 10 10 ASP HB2 H 1 2.657 0.02 . 2 . . . . 10 Asp HB2 . 18215 1 89 . 1 1 10 10 ASP HB3 H 1 2.657 0.02 . 2 . . . . 10 Asp HB3 . 18215 1 90 . 1 1 10 10 ASP C C 13 176.515 0.3 . 1 . . . . 10 Asp C . 18215 1 91 . 1 1 10 10 ASP CA C 13 54.163 0.3 . 1 . . . . 10 Asp CA . 18215 1 92 . 1 1 10 10 ASP CB C 13 41.793 0.3 . 1 . . . . 10 Asp CB . 18215 1 93 . 1 1 10 10 ASP N N 15 123.254 0.3 . 1 . . . . 10 Asp N . 18215 1 94 . 1 1 11 11 THR H H 1 8.046 0.02 . 1 . . . . 11 Thr H . 18215 1 95 . 1 1 11 11 THR HA H 1 4.367 0.02 . 1 . . . . 11 Thr HA . 18215 1 96 . 1 1 11 11 THR HB H 1 4.381 0.02 . 1 . . . . 11 Thr HB . 18215 1 97 . 1 1 11 11 THR HG21 H 1 1.099 0.02 . 1 . . . . 11 Thr HG2 . 18215 1 98 . 1 1 11 11 THR HG22 H 1 1.099 0.02 . 1 . . . . 11 Thr HG2 . 18215 1 99 . 1 1 11 11 THR HG23 H 1 1.099 0.02 . 1 . . . . 11 Thr HG2 . 18215 1 100 . 1 1 11 11 THR C C 13 175.150 0.3 . 1 . . . . 11 Thr C . 18215 1 101 . 1 1 11 11 THR CA C 13 61.316 0.3 . 1 . . . . 11 Thr CA . 18215 1 102 . 1 1 11 11 THR CB C 13 70.345 0.3 . 1 . . . . 11 Thr CB . 18215 1 103 . 1 1 11 11 THR CG2 C 13 21.704 0.3 . 1 . . . . 11 Thr CG2 . 18215 1 104 . 1 1 11 11 THR N N 15 112.607 0.3 . 1 . . . . 11 Thr N . 18215 1 105 . 1 1 12 12 ASP H H 1 8.599 0.02 . 1 . . . . 12 Asp H . 18215 1 106 . 1 1 12 12 ASP HA H 1 4.803 0.02 . 1 . . . . 12 Asp HA . 18215 1 107 . 1 1 12 12 ASP HB2 H 1 2.892 0.02 . 2 . . . . 12 Asp HB2 . 18215 1 108 . 1 1 12 12 ASP HB3 H 1 2.892 0.02 . 2 . . . . 12 Asp HB3 . 18215 1 109 . 1 1 12 12 ASP C C 13 177.520 0.3 . 1 . . . . 12 Asp C . 18215 1 110 . 1 1 12 12 ASP CA C 13 56.268 0.3 . 1 . . . . 12 Asp CA . 18215 1 111 . 1 1 12 12 ASP CB C 13 41.281 0.3 . 1 . . . . 12 Asp CB . 18215 1 112 . 1 1 12 12 ASP N N 15 122.700 0.3 . 1 . . . . 12 Asp N . 18215 1 113 . 1 1 13 13 ASP H H 1 8.439 0.02 . 1 . . . . 13 Asp H . 18215 1 114 . 1 1 13 13 ASP HA H 1 4.456 0.02 . 1 . . . . 13 Asp HA . 18215 1 115 . 1 1 13 13 ASP HB2 H 1 2.699 0.02 . 2 . . . . 13 Asp HB2 . 18215 1 116 . 1 1 13 13 ASP HB3 H 1 2.699 0.02 . 2 . . . . 13 Asp HB3 . 18215 1 117 . 1 1 13 13 ASP C C 13 178.438 0.3 . 1 . . . . 13 Asp C . 18215 1 118 . 1 1 13 13 ASP CA C 13 57.281 0.3 . 1 . . . . 13 Asp CA . 18215 1 119 . 1 1 13 13 ASP CB C 13 40.681 0.3 . 1 . . . . 13 Asp CB . 18215 1 120 . 1 1 13 13 ASP N N 15 119.345 0.3 . 1 . . . . 13 Asp N . 18215 1 121 . 1 1 14 14 ALA H H 1 8.202 0.02 . 1 . . . . 14 Ala H . 18215 1 122 . 1 1 14 14 ALA HA H 1 4.194 0.02 . 1 . . . . 14 Ala HA . 18215 1 123 . 1 1 14 14 ALA HB1 H 1 1.556 0.02 . 1 . . . . 14 Ala HB . 18215 1 124 . 1 1 14 14 ALA HB2 H 1 1.556 0.02 . 1 . . . . 14 Ala HB . 18215 1 125 . 1 1 14 14 ALA HB3 H 1 1.556 0.02 . 1 . . . . 14 Ala HB . 18215 1 126 . 1 1 14 14 ALA C C 13 180.130 0.3 . 1 . . . . 14 Ala C . 18215 1 127 . 1 1 14 14 ALA CA C 13 55.222 0.3 . 1 . . . . 14 Ala CA . 18215 1 128 . 1 1 14 14 ALA CB C 13 18.061 0.3 . 1 . . . . 14 Ala CB . 18215 1 129 . 1 1 14 14 ALA N N 15 123.984 0.3 . 1 . . . . 14 Ala N . 18215 1 130 . 1 1 15 15 TRP H H 1 8.276 0.02 . 1 . . . . 15 Trp H . 18215 1 131 . 1 1 15 15 TRP HA H 1 4.248 0.02 . 1 . . . . 15 Trp HA . 18215 1 132 . 1 1 15 15 TRP HB2 H 1 3.615 0.02 . 2 . . . . 15 Trp HB2 . 18215 1 133 . 1 1 15 15 TRP HB3 H 1 3.423 0.02 . 2 . . . . 15 Trp HB3 . 18215 1 134 . 1 1 15 15 TRP HD1 H 1 7.252 0.02 . 1 . . . . 15 Trp HD1 . 18215 1 135 . 1 1 15 15 TRP HE1 H 1 10.747 0.02 . 1 . . . . 15 Trp HE1 . 18215 1 136 . 1 1 15 15 TRP HZ2 H 1 7.656 0.02 . 1 . . . . 15 Trp HZ2 . 18215 1 137 . 1 1 15 15 TRP HH2 H 1 6.646 0.02 . 1 . . . . 15 Trp HH2 . 18215 1 138 . 1 1 15 15 TRP CA C 13 61.265 0.3 . 1 . . . . 15 Trp CA . 18215 1 139 . 1 1 15 15 TRP CB C 13 27.661 0.3 . 1 . . . . 15 Trp CB . 18215 1 140 . 1 1 15 15 TRP CD1 C 13 126.224 0.3 . 1 . . . . 15 Trp CD1 . 18215 1 141 . 1 1 15 15 TRP CZ2 C 13 114.120 0.3 . 1 . . . . 15 Trp CZ2 . 18215 1 142 . 1 1 15 15 TRP CH2 C 13 123.220 0.3 . 1 . . . . 15 Trp CH2 . 18215 1 143 . 1 1 15 15 TRP N N 15 122.338 0.3 . 1 . . . . 15 Trp N . 18215 1 144 . 1 1 15 15 TRP NE1 N 15 132.602 0.3 . 1 . . . . 15 Trp NE1 . 18215 1 145 . 1 1 16 16 ARG HA H 1 2.949 0.02 . 1 . . . . 16 Arg HA . 18215 1 146 . 1 1 16 16 ARG HB2 H 1 1.345 0.02 . 2 . . . . 16 Arg HB2 . 18215 1 147 . 1 1 16 16 ARG HB3 H 1 1.345 0.02 . 2 . . . . 16 Arg HB3 . 18215 1 148 . 1 1 16 16 ARG C C 13 178.788 0.3 . 1 . . . . 16 Arg C . 18215 1 149 . 1 1 16 16 ARG CA C 13 60.042 0.3 . 1 . . . . 16 Arg CA . 18215 1 150 . 1 1 16 16 ARG CB C 13 29.924 0.3 . 1 . . . . 16 Arg CB . 18215 1 151 . 1 1 16 16 ARG CG C 13 28.695 0.3 . 1 . . . . 16 Arg CG . 18215 1 152 . 1 1 16 16 ARG CD C 13 43.285 0.3 . 1 . . . . 16 Arg CD . 18215 1 153 . 1 1 17 17 ALA H H 1 7.912 0.02 . 1 . . . . 17 Ala H . 18215 1 154 . 1 1 17 17 ALA HA H 1 4.064 0.02 . 1 . . . . 17 Ala HA . 18215 1 155 . 1 1 17 17 ALA HB1 H 1 1.493 0.02 . 1 . . . . 17 Ala HB . 18215 1 156 . 1 1 17 17 ALA HB2 H 1 1.493 0.02 . 1 . . . . 17 Ala HB . 18215 1 157 . 1 1 17 17 ALA HB3 H 1 1.493 0.02 . 1 . . . . 17 Ala HB . 18215 1 158 . 1 1 17 17 ALA C C 13 180.768 0.3 . 1 . . . . 17 Ala C . 18215 1 159 . 1 1 17 17 ALA CA C 13 54.829 0.3 . 1 . . . . 17 Ala CA . 18215 1 160 . 1 1 17 17 ALA CB C 13 17.848 0.3 . 1 . . . . 17 Ala CB . 18215 1 161 . 1 1 17 17 ALA N N 15 120.098 0.3 . 1 . . . . 17 Ala N . 18215 1 162 . 1 1 18 18 ARG H H 1 8.049 0.02 . 1 . . . . 18 Arg H . 18215 1 163 . 1 1 18 18 ARG HA H 1 4.123 0.02 . 1 . . . . 18 Arg HA . 18215 1 164 . 1 1 18 18 ARG HB2 H 1 2.088 0.02 . 2 . . . . 18 Arg HB2 . 18215 1 165 . 1 1 18 18 ARG HB3 H 1 1.922 0.02 . 2 . . . . 18 Arg HB3 . 18215 1 166 . 1 1 18 18 ARG HG2 H 1 1.884 0.02 . 2 . . . . 18 Arg HG2 . 18215 1 167 . 1 1 18 18 ARG HG3 H 1 1.542 0.02 . 2 . . . . 18 Arg HG3 . 18215 1 168 . 1 1 18 18 ARG C C 13 179.990 0.3 . 1 . . . . 18 Arg C . 18215 1 169 . 1 1 18 18 ARG CA C 13 59.621 0.3 . 1 . . . . 18 Arg CA . 18215 1 170 . 1 1 18 18 ARG CB C 13 30.105 0.3 . 1 . . . . 18 Arg CB . 18215 1 171 . 1 1 18 18 ARG CG C 13 27.922 0.3 . 1 . . . . 18 Arg CG . 18215 1 172 . 1 1 18 18 ARG CD C 13 43.732 0.3 . 1 . . . . 18 Arg CD . 18215 1 173 . 1 1 18 18 ARG N N 15 120.957 0.3 . 1 . . . . 18 Arg N . 18215 1 174 . 1 1 19 19 ILE H H 1 7.821 0.02 . 1 . . . . 19 Ile H . 18215 1 175 . 1 1 19 19 ILE HA H 1 3.523 0.02 . 1 . . . . 19 Ile HA . 18215 1 176 . 1 1 19 19 ILE HB H 1 1.539 0.02 . 1 . . . . 19 Ile HB . 18215 1 177 . 1 1 19 19 ILE HG12 H 1 0.783 0.02 . 2 . . . . 19 Ile HG12 . 18215 1 178 . 1 1 19 19 ILE HG13 H 1 0.758 0.02 . 2 . . . . 19 Ile HG13 . 18215 1 179 . 1 1 19 19 ILE HG21 H 1 0.516 0.02 . 1 . . . . 19 Ile HG2 . 18215 1 180 . 1 1 19 19 ILE HG22 H 1 0.516 0.02 . 1 . . . . 19 Ile HG2 . 18215 1 181 . 1 1 19 19 ILE HG23 H 1 0.516 0.02 . 1 . . . . 19 Ile HG2 . 18215 1 182 . 1 1 19 19 ILE HD11 H 1 0.324 0.02 . 1 . . . . 19 Ile HD1 . 18215 1 183 . 1 1 19 19 ILE HD12 H 1 0.324 0.02 . 1 . . . . 19 Ile HD1 . 18215 1 184 . 1 1 19 19 ILE HD13 H 1 0.324 0.02 . 1 . . . . 19 Ile HD1 . 18215 1 185 . 1 1 19 19 ILE C C 13 177.957 0.3 . 1 . . . . 19 Ile C . 18215 1 186 . 1 1 19 19 ILE CA C 13 64.151 0.3 . 1 . . . . 19 Ile CA . 18215 1 187 . 1 1 19 19 ILE CB C 13 35.763 0.3 . 1 . . . . 19 Ile CB . 18215 1 188 . 1 1 19 19 ILE CG1 C 13 27.312 0.3 . 1 . . . . 19 Ile CG1 . 18215 1 189 . 1 1 19 19 ILE CG2 C 13 17.516 0.3 . 1 . . . . 19 Ile CG2 . 18215 1 190 . 1 1 19 19 ILE CD1 C 13 10.898 0.3 . 1 . . . . 19 Ile CD1 . 18215 1 191 . 1 1 19 19 ILE N N 15 121.419 0.3 . 1 . . . . 19 Ile N . 18215 1 192 . 1 1 20 20 ALA H H 1 8.101 0.02 . 1 . . . . 20 Ala H . 18215 1 193 . 1 1 20 20 ALA HA H 1 3.859 0.02 . 1 . . . . 20 Ala HA . 18215 1 194 . 1 1 20 20 ALA HB1 H 1 1.379 0.02 . 1 . . . . 20 Ala HB . 18215 1 195 . 1 1 20 20 ALA HB2 H 1 1.379 0.02 . 1 . . . . 20 Ala HB . 18215 1 196 . 1 1 20 20 ALA HB3 H 1 1.379 0.02 . 1 . . . . 20 Ala HB . 18215 1 197 . 1 1 20 20 ALA C C 13 180.844 0.3 . 1 . . . . 20 Ala C . 18215 1 198 . 1 1 20 20 ALA CA C 13 55.618 0.3 . 1 . . . . 20 Ala CA . 18215 1 199 . 1 1 20 20 ALA CB C 13 17.725 0.3 . 1 . . . . 20 Ala CB . 18215 1 200 . 1 1 20 20 ALA N N 15 122.181 0.3 . 1 . . . . 20 Ala N . 18215 1 201 . 1 1 21 21 ALA H H 1 8.223 0.02 . 1 . . . . 21 Ala H . 18215 1 202 . 1 1 21 21 ALA HA H 1 4.189 0.02 . 1 . . . . 21 Ala HA . 18215 1 203 . 1 1 21 21 ALA HB1 H 1 1.500 0.02 . 1 . . . . 21 Ala HB . 18215 1 204 . 1 1 21 21 ALA HB2 H 1 1.500 0.02 . 1 . . . . 21 Ala HB . 18215 1 205 . 1 1 21 21 ALA HB3 H 1 1.500 0.02 . 1 . . . . 21 Ala HB . 18215 1 206 . 1 1 21 21 ALA C C 13 179.115 0.3 . 1 . . . . 21 Ala C . 18215 1 207 . 1 1 21 21 ALA CA C 13 55.261 0.3 . 1 . . . . 21 Ala CA . 18215 1 208 . 1 1 21 21 ALA CB C 13 18.031 0.3 . 1 . . . . 21 Ala CB . 18215 1 209 . 1 1 21 21 ALA N N 15 121.543 0.3 . 1 . . . . 21 Ala N . 18215 1 210 . 1 1 22 22 HIS H H 1 8.026 0.02 . 1 . . . . 22 His H . 18215 1 211 . 1 1 22 22 HIS HA H 1 4.383 0.02 . 1 . . . . 22 His HA . 18215 1 212 . 1 1 22 22 HIS HB2 H 1 3.447 0.02 . 2 . . . . 22 His HB2 . 18215 1 213 . 1 1 22 22 HIS HB3 H 1 3.201 0.02 . 2 . . . . 22 His HB3 . 18215 1 214 . 1 1 22 22 HIS C C 13 177.956 0.3 . 1 . . . . 22 His C . 18215 1 215 . 1 1 22 22 HIS CA C 13 59.472 0.3 . 1 . . . . 22 His CA . 18215 1 216 . 1 1 22 22 HIS CB C 13 29.727 0.3 . 1 . . . . 22 His CB . 18215 1 217 . 1 1 22 22 HIS N N 15 119.217 0.3 . 1 . . . . 22 His N . 18215 1 218 . 1 1 23 23 ARG H H 1 8.237 0.02 . 1 . . . . 23 Arg H . 18215 1 219 . 1 1 23 23 ARG HA H 1 3.583 0.02 . 1 . . . . 23 Arg HA . 18215 1 220 . 1 1 23 23 ARG C C 13 179.361 0.3 . 1 . . . . 23 Arg C . 18215 1 221 . 1 1 23 23 ARG CA C 13 60.182 0.3 . 1 . . . . 23 Arg CA . 18215 1 222 . 1 1 23 23 ARG CB C 13 29.444 0.3 . 1 . . . . 23 Arg CB . 18215 1 223 . 1 1 23 23 ARG N N 15 118.082 0.3 . 1 . . . . 23 Arg N . 18215 1 224 . 1 1 24 24 ALA H H 1 8.091 0.02 . 1 . . . . 24 Ala H . 18215 1 225 . 1 1 24 24 ALA HA H 1 4.322 0.02 . 1 . . . . 24 Ala HA . 18215 1 226 . 1 1 24 24 ALA HB1 H 1 1.536 0.02 . 1 . . . . 24 Ala HB . 18215 1 227 . 1 1 24 24 ALA HB2 H 1 1.536 0.02 . 1 . . . . 24 Ala HB . 18215 1 228 . 1 1 24 24 ALA HB3 H 1 1.536 0.02 . 1 . . . . 24 Ala HB . 18215 1 229 . 1 1 24 24 ALA C C 13 180.624 0.3 . 1 . . . . 24 Ala C . 18215 1 230 . 1 1 24 24 ALA CA C 13 55.429 0.3 . 1 . . . . 24 Ala CA . 18215 1 231 . 1 1 24 24 ALA CB C 13 17.872 0.3 . 1 . . . . 24 Ala CB . 18215 1 232 . 1 1 24 24 ALA N N 15 124.096 0.3 . 1 . . . . 24 Ala N . 18215 1 233 . 1 1 25 25 ASP H H 1 8.753 0.02 . 1 . . . . 25 Asp H . 18215 1 234 . 1 1 25 25 ASP HA H 1 4.382 0.02 . 1 . . . . 25 Asp HA . 18215 1 235 . 1 1 25 25 ASP HB2 H 1 2.797 0.02 . 2 . . . . 25 Asp HB2 . 18215 1 236 . 1 1 25 25 ASP HB3 H 1 2.617 0.02 . 2 . . . . 25 Asp HB3 . 18215 1 237 . 1 1 25 25 ASP C C 13 179.152 0.3 . 1 . . . . 25 Asp C . 18215 1 238 . 1 1 25 25 ASP CA C 13 57.249 0.3 . 1 . . . . 25 Asp CA . 18215 1 239 . 1 1 25 25 ASP CB C 13 40.213 0.3 . 1 . . . . 25 Asp CB . 18215 1 240 . 1 1 25 25 ASP N N 15 121.203 0.3 . 1 . . . . 25 Asp N . 18215 1 241 . 1 1 26 26 LYS H H 1 8.214 0.02 . 1 . . . . 26 Lys H . 18215 1 242 . 1 1 26 26 LYS HA H 1 4.190 0.02 . 1 . . . . 26 Lys HA . 18215 1 243 . 1 1 26 26 LYS CA C 13 59.658 0.3 . 1 . . . . 26 Lys CA . 18215 1 244 . 1 1 26 26 LYS CB C 13 31.867 0.3 . 1 . . . . 26 Lys CB . 18215 1 245 . 1 1 26 26 LYS N N 15 122.754 0.3 . 1 . . . . 26 Lys N . 18215 1 246 . 1 1 27 27 ASP H H 1 7.755 0.02 . 1 . . . . 27 Asp H . 18215 1 247 . 1 1 27 27 ASP HA H 1 4.750 0.02 . 1 . . . . 27 Asp HA . 18215 1 248 . 1 1 27 27 ASP HB2 H 1 2.953 0.02 . 2 . . . . 27 Asp HB2 . 18215 1 249 . 1 1 27 27 ASP HB3 H 1 2.806 0.02 . 2 . . . . 27 Asp HB3 . 18215 1 250 . 1 1 27 27 ASP CA C 13 58.184 0.3 . 1 . . . . 27 Asp CA . 18215 1 251 . 1 1 27 27 ASP CB C 13 40.216 0.3 . 1 . . . . 27 Asp CB . 18215 1 252 . 1 1 27 27 ASP N N 15 120.344 0.3 . 1 . . . . 27 Asp N . 18215 1 253 . 1 1 28 28 GLU H H 1 7.752 0.02 . 1 . . . . 28 Glu H . 18215 1 254 . 1 1 28 28 GLU HA H 1 4.204 0.02 . 1 . . . . 28 Glu HA . 18215 1 255 . 1 1 28 28 GLU HB2 H 1 2.200 0.02 . 2 . . . . 28 Glu HB2 . 18215 1 256 . 1 1 28 28 GLU HB3 H 1 2.187 0.02 . 2 . . . . 28 Glu HB3 . 18215 1 257 . 1 1 28 28 GLU HG2 H 1 2.341 0.02 . 2 . . . . 28 Glu HG2 . 18215 1 258 . 1 1 28 28 GLU HG3 H 1 2.246 0.02 . 2 . . . . 28 Glu HG3 . 18215 1 259 . 1 1 28 28 GLU C C 13 179.588 0.3 . 1 . . . . 28 Glu C . 18215 1 260 . 1 1 28 28 GLU CA C 13 59.652 0.3 . 1 . . . . 28 Glu CA . 18215 1 261 . 1 1 28 28 GLU CB C 13 29.372 0.3 . 1 . . . . 28 Glu CB . 18215 1 262 . 1 1 28 28 GLU CG C 13 36.007 0.3 . 1 . . . . 28 Glu CG . 18215 1 263 . 1 1 28 28 GLU N N 15 119.990 0.3 . 1 . . . . 28 Glu N . 18215 1 264 . 1 1 29 29 PHE H H 1 8.276 0.02 . 1 . . . . 29 Phe H . 18215 1 265 . 1 1 29 29 PHE HA H 1 4.300 0.02 . 1 . . . . 29 Phe HA . 18215 1 266 . 1 1 29 29 PHE HB2 H 1 3.303 0.02 . 2 . . . . 29 Phe HB2 . 18215 1 267 . 1 1 29 29 PHE HB3 H 1 3.303 0.02 . 2 . . . . 29 Phe HB3 . 18215 1 268 . 1 1 29 29 PHE HD1 H 1 7.029 0.02 . 3 . . . . 29 Phe HD1 . 18215 1 269 . 1 1 29 29 PHE HD2 H 1 7.029 0.02 . 3 . . . . 29 Phe HD2 . 18215 1 270 . 1 1 29 29 PHE HE1 H 1 6.642 0.02 . 3 . . . . 29 Phe HE1 . 18215 1 271 . 1 1 29 29 PHE HE2 H 1 6.642 0.02 . 3 . . . . 29 Phe HE2 . 18215 1 272 . 1 1 29 29 PHE HZ H 1 6.898 0.02 . 1 . . . . 29 Phe HZ . 18215 1 273 . 1 1 29 29 PHE C C 13 177.010 0.3 . 1 . . . . 29 Phe C . 18215 1 274 . 1 1 29 29 PHE CA C 13 60.675 0.3 . 1 . . . . 29 Phe CA . 18215 1 275 . 1 1 29 29 PHE CB C 13 38.861 0.3 . 1 . . . . 29 Phe CB . 18215 1 276 . 1 1 29 29 PHE CD1 C 13 132.268 0.3 . 3 . . . . 29 Phe CD1 . 18215 1 277 . 1 1 29 29 PHE CD2 C 13 132.268 0.3 . 3 . . . . 29 Phe CD2 . 18215 1 278 . 1 1 29 29 PHE CE1 C 13 130.466 0.3 . 3 . . . . 29 Phe CE1 . 18215 1 279 . 1 1 29 29 PHE CE2 C 13 130.466 0.3 . 3 . . . . 29 Phe CE2 . 18215 1 280 . 1 1 29 29 PHE CZ C 13 129.208 0.3 . 1 . . . . 29 Phe CZ . 18215 1 281 . 1 1 29 29 PHE N N 15 123.757 0.3 . 1 . . . . 29 Phe N . 18215 1 282 . 1 1 30 30 LEU H H 1 8.609 0.02 . 1 . . . . 30 Leu H . 18215 1 283 . 1 1 30 30 LEU HA H 1 3.551 0.02 . 1 . . . . 30 Leu HA . 18215 1 284 . 1 1 30 30 LEU HB2 H 1 1.673 0.02 . 2 . . . . 30 Leu HB2 . 18215 1 285 . 1 1 30 30 LEU HB3 H 1 0.527 0.02 . 2 . . . . 30 Leu HB3 . 18215 1 286 . 1 1 30 30 LEU HG H 1 1.777 0.02 . 1 . . . . 30 Leu HG . 18215 1 287 . 1 1 30 30 LEU HD11 H 1 0.804 0.02 . 2 . . . . 30 Leu HD1 . 18215 1 288 . 1 1 30 30 LEU HD12 H 1 0.804 0.02 . 2 . . . . 30 Leu HD1 . 18215 1 289 . 1 1 30 30 LEU HD13 H 1 0.804 0.02 . 2 . . . . 30 Leu HD1 . 18215 1 290 . 1 1 30 30 LEU HD21 H 1 0.469 0.02 . 2 . . . . 30 Leu HD2 . 18215 1 291 . 1 1 30 30 LEU HD22 H 1 0.469 0.02 . 2 . . . . 30 Leu HD2 . 18215 1 292 . 1 1 30 30 LEU HD23 H 1 0.469 0.02 . 2 . . . . 30 Leu HD2 . 18215 1 293 . 1 1 30 30 LEU C C 13 179.251 0.3 . 1 . . . . 30 Leu C . 18215 1 294 . 1 1 30 30 LEU CA C 13 56.242 0.3 . 1 . . . . 30 Leu CA . 18215 1 295 . 1 1 30 30 LEU CB C 13 40.936 0.3 . 1 . . . . 30 Leu CB . 18215 1 296 . 1 1 30 30 LEU CG C 13 28.239 0.3 . 1 . . . . 30 Leu CG . 18215 1 297 . 1 1 30 30 LEU CD1 C 13 26.675 0.3 . 2 . . . . 30 Leu CD1 . 18215 1 298 . 1 1 30 30 LEU CD2 C 13 24.139 0.3 . 2 . . . . 30 Leu CD2 . 18215 1 299 . 1 1 30 30 LEU N N 15 119.017 0.3 . 1 . . . . 30 Leu N . 18215 1 300 . 1 1 31 31 ALA H H 1 7.887 0.02 . 1 . . . . 31 Ala H . 18215 1 301 . 1 1 31 31 ALA HA H 1 3.958 0.02 . 1 . . . . 31 Ala HA . 18215 1 302 . 1 1 31 31 ALA HB1 H 1 1.709 0.02 . 1 . . . . 31 Ala HB . 18215 1 303 . 1 1 31 31 ALA HB2 H 1 1.709 0.02 . 1 . . . . 31 Ala HB . 18215 1 304 . 1 1 31 31 ALA HB3 H 1 1.709 0.02 . 1 . . . . 31 Ala HB . 18215 1 305 . 1 1 31 31 ALA C C 13 179.284 0.3 . 1 . . . . 31 Ala C . 18215 1 306 . 1 1 31 31 ALA CA C 13 54.082 0.3 . 1 . . . . 31 Ala CA . 18215 1 307 . 1 1 31 31 ALA CB C 13 20.712 0.3 . 1 . . . . 31 Ala CB . 18215 1 308 . 1 1 31 31 ALA N N 15 115.904 0.3 . 1 . . . . 31 Ala N . 18215 1 309 . 1 1 32 32 THR H H 1 7.560 0.02 . 1 . . . . 32 Thr H . 18215 1 310 . 1 1 32 32 THR HA H 1 4.596 0.02 . 1 . . . . 32 Thr HA . 18215 1 311 . 1 1 32 32 THR HB H 1 4.214 0.02 . 1 . . . . 32 Thr HB . 18215 1 312 . 1 1 32 32 THR HG21 H 1 1.244 0.02 . 1 . . . . 32 Thr HG2 . 18215 1 313 . 1 1 32 32 THR HG22 H 1 1.244 0.02 . 1 . . . . 32 Thr HG2 . 18215 1 314 . 1 1 32 32 THR HG23 H 1 1.244 0.02 . 1 . . . . 32 Thr HG2 . 18215 1 315 . 1 1 32 32 THR C C 13 174.812 0.3 . 1 . . . . 32 Thr C . 18215 1 316 . 1 1 32 32 THR CA C 13 62.230 0.3 . 1 . . . . 32 Thr CA . 18215 1 317 . 1 1 32 32 THR CB C 13 73.146 0.3 . 1 . . . . 32 Thr CB . 18215 1 318 . 1 1 32 32 THR CG2 C 13 21.514 0.3 . 1 . . . . 32 Thr CG2 . 18215 1 319 . 1 1 32 32 THR N N 15 103.075 0.3 . 1 . . . . 32 Thr N . 18215 1 320 . 1 1 33 33 HIS H H 1 8.432 0.02 . 1 . . . . 33 His H . 18215 1 321 . 1 1 33 33 HIS HA H 1 4.214 0.02 . 1 . . . . 33 His HA . 18215 1 322 . 1 1 33 33 HIS HB2 H 1 2.840 0.02 . 2 . . . . 33 His HB2 . 18215 1 323 . 1 1 33 33 HIS HB3 H 1 2.099 0.02 . 2 . . . . 33 His HB3 . 18215 1 324 . 1 1 33 33 HIS C C 13 176.738 0.3 . 1 . . . . 33 His C . 18215 1 325 . 1 1 33 33 HIS CA C 13 59.293 0.3 . 1 . . . . 33 His CA . 18215 1 326 . 1 1 33 33 HIS CB C 13 33.111 0.3 . 1 . . . . 33 His CB . 18215 1 327 . 1 1 33 33 HIS N N 15 127.037 0.3 . 1 . . . . 33 His N . 18215 1 328 . 1 1 34 34 ASP H H 1 8.313 0.02 . 1 . . . . 34 Asp H . 18215 1 329 . 1 1 34 34 ASP HA H 1 4.321 0.02 . 1 . . . . 34 Asp HA . 18215 1 330 . 1 1 34 34 ASP HB2 H 1 2.596 0.02 . 2 . . . . 34 Asp HB2 . 18215 1 331 . 1 1 34 34 ASP HB3 H 1 2.533 0.02 . 2 . . . . 34 Asp HB3 . 18215 1 332 . 1 1 34 34 ASP C C 13 178.598 0.3 . 1 . . . . 34 Asp C . 18215 1 333 . 1 1 34 34 ASP CA C 13 57.410 0.3 . 1 . . . . 34 Asp CA . 18215 1 334 . 1 1 34 34 ASP CB C 13 41.132 0.3 . 1 . . . . 34 Asp CB . 18215 1 335 . 1 1 34 34 ASP N N 15 126.340 0.3 . 1 . . . . 34 Asp N . 18215 1 336 . 1 1 35 35 GLN HA H 1 4.464 0.02 . 1 . . . . 35 Gln HA . 18215 1 337 . 1 1 35 35 GLN HB2 H 1 2.573 0.02 . 2 . . . . 35 Gln HB2 . 18215 1 338 . 1 1 35 35 GLN HB3 H 1 2.171 0.02 . 2 . . . . 35 Gln HB3 . 18215 1 339 . 1 1 35 35 GLN HG2 H 1 2.558 0.02 . 2 . . . . 35 Gln HG2 . 18215 1 340 . 1 1 35 35 GLN HG3 H 1 2.558 0.02 . 2 . . . . 35 Gln HG3 . 18215 1 341 . 1 1 35 35 GLN HE21 H 1 7.715 0.02 . 2 . . . . 35 Gln HE21 . 18215 1 342 . 1 1 35 35 GLN HE22 H 1 6.949 0.02 . 2 . . . . 35 Gln HE22 . 18215 1 343 . 1 1 35 35 GLN C C 13 175.601 0.3 . 1 . . . . 35 Gln C . 18215 1 344 . 1 1 35 35 GLN CA C 13 54.958 0.3 . 1 . . . . 35 Gln CA . 18215 1 345 . 1 1 35 35 GLN CB C 13 27.793 0.3 . 1 . . . . 35 Gln CB . 18215 1 346 . 1 1 35 35 GLN CG C 13 34.538 0.3 . 1 . . . . 35 Gln CG . 18215 1 347 . 1 1 35 35 GLN NE2 N 15 113.288 0.3 . 1 . . . . 35 Gln NE2 . 18215 1 348 . 1 1 36 36 SER H H 1 7.482 0.02 . 1 . . . . 36 Ser H . 18215 1 349 . 1 1 36 36 SER HA H 1 3.921 0.02 . 1 . . . . 36 Ser HA . 18215 1 350 . 1 1 36 36 SER HB2 H 1 4.000 0.02 . 2 . . . . 36 Ser HB2 . 18215 1 351 . 1 1 36 36 SER HB3 H 1 3.552 0.02 . 2 . . . . 36 Ser HB3 . 18215 1 352 . 1 1 36 36 SER CA C 13 54.851 0.3 . 1 . . . . 36 Ser CA . 18215 1 353 . 1 1 36 36 SER CB C 13 63.222 0.3 . 1 . . . . 36 Ser CB . 18215 1 354 . 1 1 36 36 SER N N 15 115.808 0.3 . 1 . . . . 36 Ser N . 18215 1 355 . 1 1 37 37 PRO HA H 1 4.543 0.02 . 1 . . . . 37 Pro HA . 18215 1 356 . 1 1 37 37 PRO C C 13 177.317 0.3 . 1 . . . . 37 Pro C . 18215 1 357 . 1 1 37 37 PRO CA C 13 62.886 0.3 . 1 . . . . 37 Pro CA . 18215 1 358 . 1 1 37 37 PRO CB C 13 32.567 0.3 . 1 . . . . 37 Pro CB . 18215 1 359 . 1 1 38 38 ILE H H 1 8.102 0.02 . 1 . . . . 38 Ile H . 18215 1 360 . 1 1 38 38 ILE HA H 1 4.093 0.02 . 1 . . . . 38 Ile HA . 18215 1 361 . 1 1 38 38 ILE HB H 1 1.538 0.02 . 1 . . . . 38 Ile HB . 18215 1 362 . 1 1 38 38 ILE HG12 H 1 0.786 0.02 . 2 . . . . 38 Ile HG12 . 18215 1 363 . 1 1 38 38 ILE HG13 H 1 0.373 0.02 . 2 . . . . 38 Ile HG13 . 18215 1 364 . 1 1 38 38 ILE HG21 H 1 0.743 0.02 . 1 . . . . 38 Ile HG2 . 18215 1 365 . 1 1 38 38 ILE HG22 H 1 0.743 0.02 . 1 . . . . 38 Ile HG2 . 18215 1 366 . 1 1 38 38 ILE HG23 H 1 0.743 0.02 . 1 . . . . 38 Ile HG2 . 18215 1 367 . 1 1 38 38 ILE HD11 H 1 0.038 0.02 . 1 . . . . 38 Ile HD1 . 18215 1 368 . 1 1 38 38 ILE HD12 H 1 0.038 0.02 . 1 . . . . 38 Ile HD1 . 18215 1 369 . 1 1 38 38 ILE HD13 H 1 0.038 0.02 . 1 . . . . 38 Ile HD1 . 18215 1 370 . 1 1 38 38 ILE C C 13 173.487 0.3 . 1 . . . . 38 Ile C . 18215 1 371 . 1 1 38 38 ILE CA C 13 57.856 0.3 . 1 . . . . 38 Ile CA . 18215 1 372 . 1 1 38 38 ILE CB C 13 36.135 0.3 . 1 . . . . 38 Ile CB . 18215 1 373 . 1 1 38 38 ILE CG1 C 13 27.238 0.3 . 1 . . . . 38 Ile CG1 . 18215 1 374 . 1 1 38 38 ILE CG2 C 13 16.254 0.3 . 1 . . . . 38 Ile CG2 . 18215 1 375 . 1 1 38 38 ILE CD1 C 13 10.217 0.3 . 1 . . . . 38 Ile CD1 . 18215 1 376 . 1 1 38 38 ILE N N 15 125.636 0.3 . 1 . . . . 38 Ile N . 18215 1 377 . 1 1 40 40 PRO HA H 1 3.775 0.02 . 1 . . . . 40 Pro HA . 18215 1 378 . 1 1 40 40 PRO HB2 H 1 2.336 0.02 . 2 . . . . 40 Pro HB2 . 18215 1 379 . 1 1 40 40 PRO HB3 H 1 1.969 0.02 . 2 . . . . 40 Pro HB3 . 18215 1 380 . 1 1 40 40 PRO HG2 H 1 1.979 0.02 . 2 . . . . 40 Pro HG2 . 18215 1 381 . 1 1 40 40 PRO HG3 H 1 1.979 0.02 . 2 . . . . 40 Pro HG3 . 18215 1 382 . 1 1 40 40 PRO C C 13 178.847 0.3 . 1 . . . . 40 Pro C . 18215 1 383 . 1 1 40 40 PRO CA C 13 66.475 0.3 . 1 . . . . 40 Pro CA . 18215 1 384 . 1 1 40 40 PRO CB C 13 32.072 0.3 . 1 . . . . 40 Pro CB . 18215 1 385 . 1 1 40 40 PRO CG C 13 27.459 0.3 . 1 . . . . 40 Pro CG . 18215 1 386 . 1 1 41 41 ALA H H 1 8.682 0.02 . 1 . . . . 41 Ala H . 18215 1 387 . 1 1 41 41 ALA HA H 1 4.165 0.02 . 1 . . . . 41 Ala HA . 18215 1 388 . 1 1 41 41 ALA HB1 H 1 1.399 0.02 . 1 . . . . 41 Ala HB . 18215 1 389 . 1 1 41 41 ALA HB2 H 1 1.399 0.02 . 1 . . . . 41 Ala HB . 18215 1 390 . 1 1 41 41 ALA HB3 H 1 1.399 0.02 . 1 . . . . 41 Ala HB . 18215 1 391 . 1 1 41 41 ALA C C 13 178.257 0.3 . 1 . . . . 41 Ala C . 18215 1 392 . 1 1 41 41 ALA CA C 13 54.568 0.3 . 1 . . . . 41 Ala CA . 18215 1 393 . 1 1 41 41 ALA CB C 13 18.588 0.3 . 1 . . . . 41 Ala CB . 18215 1 394 . 1 1 41 41 ALA N N 15 117.871 0.3 . 1 . . . . 41 Ala N . 18215 1 395 . 1 1 42 42 ASP H H 1 8.066 0.02 . 1 . . . . 42 Asp H . 18215 1 396 . 1 1 42 42 ASP HA H 1 4.870 0.02 . 1 . . . . 42 Asp HA . 18215 1 397 . 1 1 42 42 ASP HB2 H 1 2.859 0.02 . 2 . . . . 42 Asp HB2 . 18215 1 398 . 1 1 42 42 ASP HB3 H 1 2.859 0.02 . 2 . . . . 42 Asp HB3 . 18215 1 399 . 1 1 42 42 ASP C C 13 177.851 0.3 . 1 . . . . 42 Asp C . 18215 1 400 . 1 1 42 42 ASP CA C 13 54.481 0.3 . 1 . . . . 42 Asp CA . 18215 1 401 . 1 1 42 42 ASP CB C 13 42.253 0.3 . 1 . . . . 42 Asp CB . 18215 1 402 . 1 1 42 42 ASP N N 15 115.757 0.3 . 1 . . . . 42 Asp N . 18215 1 403 . 1 1 43 43 ARG H H 1 7.435 0.02 . 1 . . . . 43 Arg H . 18215 1 404 . 1 1 43 43 ARG HA H 1 3.724 0.02 . 1 . . . . 43 Arg HA . 18215 1 405 . 1 1 43 43 ARG HB2 H 1 2.126 0.02 . 2 . . . . 43 Arg HB2 . 18215 1 406 . 1 1 43 43 ARG HB3 H 1 1.699 0.02 . 2 . . . . 43 Arg HB3 . 18215 1 407 . 1 1 43 43 ARG C C 13 178.185 0.3 . 1 . . . . 43 Arg C . 18215 1 408 . 1 1 43 43 ARG CA C 13 60.724 0.3 . 1 . . . . 43 Arg CA . 18215 1 409 . 1 1 43 43 ARG CB C 13 30.170 0.3 . 1 . . . . 43 Arg CB . 18215 1 410 . 1 1 43 43 ARG CG C 13 28.226 0.3 . 1 . . . . 43 Arg CG . 18215 1 411 . 1 1 43 43 ARG N N 15 121.452 0.3 . 1 . . . . 43 Arg N . 18215 1 412 . 1 1 44 44 GLY H H 1 8.672 0.02 . 1 . . . . 44 Gly H . 18215 1 413 . 1 1 44 44 GLY HA2 H 1 3.916 0.02 . 2 . . . . 44 Gly HA2 . 18215 1 414 . 1 1 44 44 GLY HA3 H 1 3.812 0.02 . 2 . . . . 44 Gly HA3 . 18215 1 415 . 1 1 44 44 GLY C C 13 174.569 0.3 . 1 . . . . 44 Gly C . 18215 1 416 . 1 1 44 44 GLY CA C 13 46.848 0.3 . 1 . . . . 44 Gly CA . 18215 1 417 . 1 1 44 44 GLY N N 15 107.085 0.3 . 1 . . . . 44 Gly N . 18215 1 418 . 1 1 45 45 ALA H H 1 7.435 0.02 . 1 . . . . 45 Ala H . 18215 1 419 . 1 1 45 45 ALA HA H 1 4.476 0.02 . 1 . . . . 45 Ala HA . 18215 1 420 . 1 1 45 45 ALA HB1 H 1 1.377 0.02 . 1 . . . . 45 Ala HB . 18215 1 421 . 1 1 45 45 ALA HB2 H 1 1.377 0.02 . 1 . . . . 45 Ala HB . 18215 1 422 . 1 1 45 45 ALA HB3 H 1 1.377 0.02 . 1 . . . . 45 Ala HB . 18215 1 423 . 1 1 45 45 ALA C C 13 177.053 0.3 . 1 . . . . 45 Ala C . 18215 1 424 . 1 1 45 45 ALA CA C 13 51.047 0.3 . 1 . . . . 45 Ala CA . 18215 1 425 . 1 1 45 45 ALA CB C 13 19.236 0.3 . 1 . . . . 45 Ala CB . 18215 1 426 . 1 1 45 45 ALA N N 15 120.999 0.3 . 1 . . . . 45 Ala N . 18215 1 427 . 1 1 46 46 PHE H H 1 7.382 0.02 . 1 . . . . 46 Phe H . 18215 1 428 . 1 1 46 46 PHE HA H 1 4.359 0.02 . 1 . . . . 46 Phe HA . 18215 1 429 . 1 1 46 46 PHE HB2 H 1 3.157 0.02 . 2 . . . . 46 Phe HB2 . 18215 1 430 . 1 1 46 46 PHE HB3 H 1 3.131 0.02 . 2 . . . . 46 Phe HB3 . 18215 1 431 . 1 1 46 46 PHE HD1 H 1 7.213 0.02 . 3 . . . . 46 Phe HD1 . 18215 1 432 . 1 1 46 46 PHE HD2 H 1 7.213 0.02 . 3 . . . . 46 Phe HD2 . 18215 1 433 . 1 1 46 46 PHE HE1 H 1 7.523 0.02 . 3 . . . . 46 Phe HE1 . 18215 1 434 . 1 1 46 46 PHE HE2 H 1 7.523 0.02 . 3 . . . . 46 Phe HE2 . 18215 1 435 . 1 1 46 46 PHE C C 13 175.332 0.3 . 1 . . . . 46 Phe C . 18215 1 436 . 1 1 46 46 PHE CA C 13 59.479 0.3 . 1 . . . . 46 Phe CA . 18215 1 437 . 1 1 46 46 PHE CB C 13 39.511 0.3 . 1 . . . . 46 Phe CB . 18215 1 438 . 1 1 46 46 PHE CD1 C 13 131.946 0.3 . 3 . . . . 46 Phe CD1 . 18215 1 439 . 1 1 46 46 PHE CD2 C 13 131.946 0.3 . 3 . . . . 46 Phe CD2 . 18215 1 440 . 1 1 46 46 PHE CE1 C 13 131.868 0.3 . 3 . . . . 46 Phe CE1 . 18215 1 441 . 1 1 46 46 PHE CE2 C 13 131.868 0.3 . 3 . . . . 46 Phe CE2 . 18215 1 442 . 1 1 46 46 PHE N N 15 121.528 0.3 . 1 . . . . 46 Phe N . 18215 1 443 . 1 1 47 47 ASP H H 1 8.272 0.02 . 1 . . . . 47 Asp H . 18215 1 444 . 1 1 47 47 ASP HA H 1 4.604 0.02 . 1 . . . . 47 Asp HA . 18215 1 445 . 1 1 47 47 ASP HB2 H 1 2.597 0.02 . 2 . . . . 47 Asp HB2 . 18215 1 446 . 1 1 47 47 ASP HB3 H 1 2.421 0.02 . 2 . . . . 47 Asp HB3 . 18215 1 447 . 1 1 47 47 ASP CA C 13 52.623 0.3 . 1 . . . . 47 Asp CA . 18215 1 448 . 1 1 47 47 ASP CB C 13 41.384 0.3 . 1 . . . . 47 Asp CB . 18215 1 449 . 1 1 47 47 ASP N N 15 128.207 0.3 . 1 . . . . 47 Asp N . 18215 1 450 . 1 1 48 48 GLY H H 1 4.424 0.02 . 1 . . . . 48 Gly H . 18215 1 451 . 1 1 48 48 GLY HA2 H 1 4.148 0.02 . 2 . . . . 48 Gly HA2 . 18215 1 452 . 1 1 48 48 GLY HA3 H 1 3.042 0.02 . 2 . . . . 48 Gly HA3 . 18215 1 453 . 1 1 48 48 GLY C C 13 173.434 0.3 . 1 . . . . 48 Gly C . 18215 1 454 . 1 1 48 48 GLY CA C 13 43.991 0.3 . 1 . . . . 48 Gly CA . 18215 1 455 . 1 1 48 48 GLY N N 15 104.355 0.3 . 1 . . . . 48 Gly N . 18215 1 456 . 1 1 49 49 LEU H H 1 9.215 0.02 . 1 . . . . 49 Leu H . 18215 1 457 . 1 1 49 49 LEU HA H 1 4.345 0.02 . 1 . . . . 49 Leu HA . 18215 1 458 . 1 1 49 49 LEU HD11 H 1 0.849 0.02 . 2 . . . . 49 Leu HD1 . 18215 1 459 . 1 1 49 49 LEU HD12 H 1 0.849 0.02 . 2 . . . . 49 Leu HD1 . 18215 1 460 . 1 1 49 49 LEU HD13 H 1 0.849 0.02 . 2 . . . . 49 Leu HD1 . 18215 1 461 . 1 1 49 49 LEU HD21 H 1 1.036 0.02 . 2 . . . . 49 Leu HD2 . 18215 1 462 . 1 1 49 49 LEU HD22 H 1 1.036 0.02 . 2 . . . . 49 Leu HD2 . 18215 1 463 . 1 1 49 49 LEU HD23 H 1 1.036 0.02 . 2 . . . . 49 Leu HD2 . 18215 1 464 . 1 1 49 49 LEU C C 13 176.485 0.3 . 1 . . . . 49 Leu C . 18215 1 465 . 1 1 49 49 LEU CA C 13 54.338 0.3 . 1 . . . . 49 Leu CA . 18215 1 466 . 1 1 49 49 LEU CB C 13 41.668 0.3 . 1 . . . . 49 Leu CB . 18215 1 467 . 1 1 49 49 LEU CD1 C 13 22.507 0.3 . 2 . . . . 49 Leu CD1 . 18215 1 468 . 1 1 49 49 LEU CD2 C 13 25.552 0.3 . 2 . . . . 49 Leu CD2 . 18215 1 469 . 1 1 49 49 LEU N N 15 121.000 0.3 . 1 . . . . 49 Leu N . 18215 1 470 . 1 1 50 50 ARG H H 1 8.287 0.02 . 1 . . . . 50 Arg H . 18215 1 471 . 1 1 50 50 ARG HA H 1 4.511 0.02 . 1 . . . . 50 Arg HA . 18215 1 472 . 1 1 50 50 ARG HB2 H 1 1.443 0.02 . 2 . . . . 50 Arg HB2 . 18215 1 473 . 1 1 50 50 ARG HB3 H 1 1.261 0.02 . 2 . . . . 50 Arg HB3 . 18215 1 474 . 1 1 50 50 ARG HG2 H 1 1.476 0.02 . 2 . . . . 50 Arg HG2 . 18215 1 475 . 1 1 50 50 ARG HG3 H 1 1.476 0.02 . 2 . . . . 50 Arg HG3 . 18215 1 476 . 1 1 50 50 ARG HD2 H 1 2.988 0.02 . 2 . . . . 50 Arg HD2 . 18215 1 477 . 1 1 50 50 ARG HD3 H 1 2.988 0.02 . 2 . . . . 50 Arg HD3 . 18215 1 478 . 1 1 50 50 ARG C C 13 174.869 0.3 . 1 . . . . 50 Arg C . 18215 1 479 . 1 1 50 50 ARG CA C 13 53.599 0.3 . 1 . . . . 50 Arg CA . 18215 1 480 . 1 1 50 50 ARG CB C 13 31.609 0.3 . 1 . . . . 50 Arg CB . 18215 1 481 . 1 1 50 50 ARG CG C 13 27.078 0.3 . 1 . . . . 50 Arg CG . 18215 1 482 . 1 1 50 50 ARG CD C 13 42.682 0.3 . 1 . . . . 50 Arg CD . 18215 1 483 . 1 1 50 50 ARG N N 15 118.990 0.3 . 1 . . . . 50 Arg N . 18215 1 484 . 1 1 51 51 TYR H H 1 8.620 0.02 . 1 . . . . 51 Tyr H . 18215 1 485 . 1 1 51 51 TYR HA H 1 4.880 0.02 . 1 . . . . 51 Tyr HA . 18215 1 486 . 1 1 51 51 TYR HB2 H 1 3.279 0.02 . 2 . . . . 51 Tyr HB2 . 18215 1 487 . 1 1 51 51 TYR HB3 H 1 2.400 0.02 . 2 . . . . 51 Tyr HB3 . 18215 1 488 . 1 1 51 51 TYR HD1 H 1 6.869 0.02 . 3 . . . . 51 Tyr HD1 . 18215 1 489 . 1 1 51 51 TYR HD2 H 1 6.869 0.02 . 3 . . . . 51 Tyr HD2 . 18215 1 490 . 1 1 51 51 TYR C C 13 178.440 0.3 . 1 . . . . 51 Tyr C . 18215 1 491 . 1 1 51 51 TYR CA C 13 58.115 0.3 . 1 . . . . 51 Tyr CA . 18215 1 492 . 1 1 51 51 TYR CB C 13 44.607 0.3 . 1 . . . . 51 Tyr CB . 18215 1 493 . 1 1 51 51 TYR N N 15 117.966 0.3 . 1 . . . . 51 Tyr N . 18215 1 494 . 1 1 52 52 PHE HA H 1 4.704 0.02 . 1 . . . . 52 Phe HA . 18215 1 495 . 1 1 52 52 PHE HB2 H 1 3.024 0.02 . 2 . . . . 52 Phe HB2 . 18215 1 496 . 1 1 52 52 PHE HB3 H 1 2.636 0.02 . 2 . . . . 52 Phe HB3 . 18215 1 497 . 1 1 52 52 PHE HE1 H 1 7.174 0.02 . 3 . . . . 52 Phe HE1 . 18215 1 498 . 1 1 52 52 PHE HE2 H 1 7.179 0.02 . 3 . . . . 52 Phe HE2 . 18215 1 499 . 1 1 52 52 PHE HZ H 1 6.817 0.02 . 1 . . . . 52 Phe HZ . 18215 1 500 . 1 1 52 52 PHE C C 13 176.370 0.3 . 1 . . . . 52 Phe C . 18215 1 501 . 1 1 52 52 PHE CA C 13 59.004 0.3 . 1 . . . . 52 Phe CA . 18215 1 502 . 1 1 52 52 PHE CB C 13 40.735 0.3 . 1 . . . . 52 Phe CB . 18215 1 503 . 1 1 52 52 PHE CE1 C 13 131.871 0.3 . 3 . . . . 52 Phe CE1 . 18215 1 504 . 1 1 52 52 PHE CE2 C 13 131.871 0.3 . 3 . . . . 52 Phe CE2 . 18215 1 505 . 1 1 52 52 PHE CZ C 13 127.774 0.3 . 1 . . . . 52 Phe CZ . 18215 1 506 . 1 1 53 53 ASP H H 1 9.049 0.02 . 1 . . . . 53 Asp H . 18215 1 507 . 1 1 53 53 ASP HA H 1 4.564 0.02 . 1 . . . . 53 Asp HA . 18215 1 508 . 1 1 53 53 ASP HB2 H 1 2.800 0.02 . 2 . . . . 53 Asp HB2 . 18215 1 509 . 1 1 53 53 ASP HB3 H 1 2.673 0.02 . 2 . . . . 53 Asp HB3 . 18215 1 510 . 1 1 53 53 ASP C C 13 177.971 0.3 . 1 . . . . 53 Asp C . 18215 1 511 . 1 1 53 53 ASP CA C 13 54.966 0.3 . 1 . . . . 53 Asp CA . 18215 1 512 . 1 1 53 53 ASP CB C 13 40.642 0.3 . 1 . . . . 53 Asp CB . 18215 1 513 . 1 1 53 53 ASP N N 15 122.164 0.3 . 1 . . . . 53 Asp N . 18215 1 514 . 1 1 54 54 ILE H H 1 8.953 0.02 . 1 . . . . 54 Ile H . 18215 1 515 . 1 1 54 54 ILE HA H 1 3.740 0.02 . 1 . . . . 54 Ile HA . 18215 1 516 . 1 1 54 54 ILE HB H 1 1.587 0.02 . 1 . . . . 54 Ile HB . 18215 1 517 . 1 1 54 54 ILE HG12 H 1 1.782 0.02 . 2 . . . . 54 Ile HG12 . 18215 1 518 . 1 1 54 54 ILE HG13 H 1 0.577 0.02 . 2 . . . . 54 Ile HG13 . 18215 1 519 . 1 1 54 54 ILE HG21 H 1 0.472 0.02 . 1 . . . . 54 Ile HG2 . 18215 1 520 . 1 1 54 54 ILE HG22 H 1 0.472 0.02 . 1 . . . . 54 Ile HG2 . 18215 1 521 . 1 1 54 54 ILE HG23 H 1 0.472 0.02 . 1 . . . . 54 Ile HG2 . 18215 1 522 . 1 1 54 54 ILE HD11 H 1 0.663 0.02 . 1 . . . . 54 Ile HD1 . 18215 1 523 . 1 1 54 54 ILE HD12 H 1 0.663 0.02 . 1 . . . . 54 Ile HD1 . 18215 1 524 . 1 1 54 54 ILE HD13 H 1 0.663 0.02 . 1 . . . . 54 Ile HD1 . 18215 1 525 . 1 1 54 54 ILE C C 13 176.012 0.3 . 1 . . . . 54 Ile C . 18215 1 526 . 1 1 54 54 ILE CA C 13 64.161 0.3 . 1 . . . . 54 Ile CA . 18215 1 527 . 1 1 54 54 ILE CB C 13 37.852 0.3 . 1 . . . . 54 Ile CB . 18215 1 528 . 1 1 54 54 ILE CG1 C 13 29.343 0.3 . 1 . . . . 54 Ile CG1 . 18215 1 529 . 1 1 54 54 ILE CG2 C 13 19.649 0.3 . 1 . . . . 54 Ile CG2 . 18215 1 530 . 1 1 54 54 ILE CD1 C 13 13.945 0.3 . 1 . . . . 54 Ile CD1 . 18215 1 531 . 1 1 54 54 ILE N N 15 125.143 0.3 . 1 . . . . 54 Ile N . 18215 1 532 . 1 1 55 55 ASP H H 1 8.825 0.02 . 1 . . . . 55 Asp H . 18215 1 533 . 1 1 55 55 ASP HA H 1 5.223 0.02 . 1 . . . . 55 Asp HA . 18215 1 534 . 1 1 55 55 ASP HB2 H 1 3.170 0.02 . 2 . . . . 55 Asp HB2 . 18215 1 535 . 1 1 55 55 ASP HB3 H 1 2.803 0.02 . 2 . . . . 55 Asp HB3 . 18215 1 536 . 1 1 55 55 ASP C C 13 177.975 0.3 . 1 . . . . 55 Asp C . 18215 1 537 . 1 1 55 55 ASP CA C 13 53.720 0.3 . 1 . . . . 55 Asp CA . 18215 1 538 . 1 1 55 55 ASP CB C 13 43.591 0.3 . 1 . . . . 55 Asp CB . 18215 1 539 . 1 1 55 55 ASP N N 15 127.687 0.3 . 1 . . . . 55 Asp N . 18215 1 540 . 1 1 56 56 ALA H H 1 9.803 0.02 . 1 . . . . 56 Ala H . 18215 1 541 . 1 1 56 56 ALA HA H 1 4.009 0.02 . 1 . . . . 56 Ala HA . 18215 1 542 . 1 1 56 56 ALA HB1 H 1 1.401 0.02 . 1 . . . . 56 Ala HB . 18215 1 543 . 1 1 56 56 ALA HB2 H 1 1.401 0.02 . 1 . . . . 56 Ala HB . 18215 1 544 . 1 1 56 56 ALA HB3 H 1 1.401 0.02 . 1 . . . . 56 Ala HB . 18215 1 545 . 1 1 56 56 ALA C C 13 178.612 0.3 . 1 . . . . 56 Ala C . 18215 1 546 . 1 1 56 56 ALA CA C 13 55.180 0.3 . 1 . . . . 56 Ala CA . 18215 1 547 . 1 1 56 56 ALA CB C 13 18.304 0.3 . 1 . . . . 56 Ala CB . 18215 1 548 . 1 1 56 56 ALA N N 15 133.072 0.3 . 1 . . . . 56 Ala N . 18215 1 549 . 1 1 57 57 SER H H 1 9.198 0.02 . 1 . . . . 57 Ser H . 18215 1 550 . 1 1 57 57 SER HA H 1 4.134 0.02 . 1 . . . . 57 Ser HA . 18215 1 551 . 1 1 57 57 SER HB2 H 1 3.626 0.02 . 2 . . . . 57 Ser HB2 . 18215 1 552 . 1 1 57 57 SER HB3 H 1 3.557 0.02 . 2 . . . . 57 Ser HB3 . 18215 1 553 . 1 1 57 57 SER C C 13 174.434 0.3 . 1 . . . . 57 Ser C . 18215 1 554 . 1 1 57 57 SER CA C 13 61.033 0.3 . 1 . . . . 57 Ser CA . 18215 1 555 . 1 1 57 57 SER CB C 13 62.414 0.3 . 1 . . . . 57 Ser CB . 18215 1 556 . 1 1 57 57 SER N N 15 114.983 0.3 . 1 . . . . 57 Ser N . 18215 1 557 . 1 1 58 58 PHE H H 1 7.359 0.02 . 1 . . . . 58 Phe H . 18215 1 558 . 1 1 58 58 PHE HA H 1 4.515 0.02 . 1 . . . . 58 Phe HA . 18215 1 559 . 1 1 58 58 PHE HB2 H 1 3.596 0.02 . 2 . . . . 58 Phe HB2 . 18215 1 560 . 1 1 58 58 PHE HB3 H 1 3.596 0.02 . 2 . . . . 58 Phe HB3 . 18215 1 561 . 1 1 58 58 PHE HD1 H 1 6.900 0.02 . 3 . . . . 58 Phe HD1 . 18215 1 562 . 1 1 58 58 PHE HD2 H 1 6.900 0.02 . 3 . . . . 58 Phe HD2 . 18215 1 563 . 1 1 58 58 PHE HE1 H 1 7.149 0.02 . 3 . . . . 58 Phe HE1 . 18215 1 564 . 1 1 58 58 PHE HE2 H 1 7.149 0.02 . 3 . . . . 58 Phe HE2 . 18215 1 565 . 1 1 58 58 PHE C C 13 172.714 0.3 . 1 . . . . 58 Phe C . 18215 1 566 . 1 1 58 58 PHE CA C 13 58.888 0.3 . 1 . . . . 58 Phe CA . 18215 1 567 . 1 1 58 58 PHE CB C 13 40.136 0.3 . 1 . . . . 58 Phe CB . 18215 1 568 . 1 1 58 58 PHE CD1 C 13 131.301 0.3 . 3 . . . . 58 Phe CD1 . 18215 1 569 . 1 1 58 58 PHE CD2 C 13 131.301 0.3 . 3 . . . . 58 Phe CD2 . 18215 1 570 . 1 1 58 58 PHE CE1 C 13 131.394 0.3 . 3 . . . . 58 Phe CE1 . 18215 1 571 . 1 1 58 58 PHE CE2 C 13 131.394 0.3 . 3 . . . . 58 Phe CE2 . 18215 1 572 . 1 1 58 58 PHE N N 15 115.229 0.3 . 1 . . . . 58 Phe N . 18215 1 573 . 1 1 59 59 ARG H H 1 7.390 0.02 . 1 . . . . 59 Arg H . 18215 1 574 . 1 1 59 59 ARG HA H 1 4.990 0.02 . 1 . . . . 59 Arg HA . 18215 1 575 . 1 1 59 59 ARG HB2 H 1 1.832 0.02 . 2 . . . . 59 Arg HB2 . 18215 1 576 . 1 1 59 59 ARG HB3 H 1 1.340 0.02 . 2 . . . . 59 Arg HB3 . 18215 1 577 . 1 1 59 59 ARG C C 13 174.668 0.3 . 1 . . . . 59 Arg C . 18215 1 578 . 1 1 59 59 ARG CA C 13 55.793 0.3 . 1 . . . . 59 Arg CA . 18215 1 579 . 1 1 59 59 ARG CB C 13 29.956 0.3 . 1 . . . . 59 Arg CB . 18215 1 580 . 1 1 59 59 ARG N N 15 123.364 0.3 . 1 . . . . 59 Arg N . 18215 1 581 . 1 1 60 60 VAL H H 1 8.457 0.02 . 1 . . . . 60 Val H . 18215 1 582 . 1 1 60 60 VAL HA H 1 4.673 0.02 . 1 . . . . 60 Val HA . 18215 1 583 . 1 1 60 60 VAL HB H 1 2.412 0.02 . 1 . . . . 60 Val HB . 18215 1 584 . 1 1 60 60 VAL HG11 H 1 1.005 0.02 . 2 . . . . 60 Val HG1 . 18215 1 585 . 1 1 60 60 VAL HG12 H 1 1.005 0.02 . 2 . . . . 60 Val HG1 . 18215 1 586 . 1 1 60 60 VAL HG13 H 1 1.005 0.02 . 2 . . . . 60 Val HG1 . 18215 1 587 . 1 1 60 60 VAL HG21 H 1 0.851 0.02 . 2 . . . . 60 Val HG2 . 18215 1 588 . 1 1 60 60 VAL HG22 H 1 0.851 0.02 . 2 . . . . 60 Val HG2 . 18215 1 589 . 1 1 60 60 VAL HG23 H 1 0.851 0.02 . 2 . . . . 60 Val HG2 . 18215 1 590 . 1 1 60 60 VAL C C 13 174.124 0.3 . 1 . . . . 60 Val C . 18215 1 591 . 1 1 60 60 VAL CA C 13 59.306 0.3 . 1 . . . . 60 Val CA . 18215 1 592 . 1 1 60 60 VAL CB C 13 34.999 0.3 . 1 . . . . 60 Val CB . 18215 1 593 . 1 1 60 60 VAL CG1 C 13 22.069 0.3 . 2 . . . . 60 Val CG1 . 18215 1 594 . 1 1 60 60 VAL CG2 C 13 19.566 0.3 . 2 . . . . 60 Val CG2 . 18215 1 595 . 1 1 60 60 VAL N N 15 119.878 0.3 . 1 . . . . 60 Val N . 18215 1 596 . 1 1 61 61 ALA H H 1 8.541 0.02 . 1 . . . . 61 Ala H . 18215 1 597 . 1 1 61 61 ALA HA H 1 4.572 0.02 . 1 . . . . 61 Ala HA . 18215 1 598 . 1 1 61 61 ALA HB1 H 1 1.252 0.02 . 1 . . . . 61 Ala HB . 18215 1 599 . 1 1 61 61 ALA HB2 H 1 1.252 0.02 . 1 . . . . 61 Ala HB . 18215 1 600 . 1 1 61 61 ALA HB3 H 1 1.252 0.02 . 1 . . . . 61 Ala HB . 18215 1 601 . 1 1 61 61 ALA C C 13 176.294 0.3 . 1 . . . . 61 Ala C . 18215 1 602 . 1 1 61 61 ALA CA C 13 51.196 0.3 . 1 . . . . 61 Ala CA . 18215 1 603 . 1 1 61 61 ALA CB C 13 19.350 0.3 . 1 . . . . 61 Ala CB . 18215 1 604 . 1 1 61 61 ALA N N 15 125.664 0.3 . 1 . . . . 61 Ala N . 18215 1 605 . 1 1 62 62 ALA H H 1 9.130 0.02 . 1 . . . . 62 Ala H . 18215 1 606 . 1 1 62 62 ALA HA H 1 5.358 0.02 . 1 . . . . 62 Ala HA . 18215 1 607 . 1 1 62 62 ALA HB1 H 1 1.176 0.02 . 1 . . . . 62 Ala HB . 18215 1 608 . 1 1 62 62 ALA HB2 H 1 1.176 0.02 . 1 . . . . 62 Ala HB . 18215 1 609 . 1 1 62 62 ALA HB3 H 1 1.176 0.02 . 1 . . . . 62 Ala HB . 18215 1 610 . 1 1 62 62 ALA C C 13 176.315 0.3 . 1 . . . . 62 Ala C . 18215 1 611 . 1 1 62 62 ALA CA C 13 49.566 0.3 . 1 . . . . 62 Ala CA . 18215 1 612 . 1 1 62 62 ALA CB C 13 22.602 0.3 . 1 . . . . 62 Ala CB . 18215 1 613 . 1 1 62 62 ALA N N 15 125.942 0.3 . 1 . . . . 62 Ala N . 18215 1 614 . 1 1 63 63 ARG H H 1 9.630 0.02 . 1 . . . . 63 Arg H . 18215 1 615 . 1 1 63 63 ARG HA H 1 4.558 0.02 . 1 . . . . 63 Arg HA . 18215 1 616 . 1 1 63 63 ARG HB2 H 1 1.917 0.02 . 2 . . . . 63 Arg HB2 . 18215 1 617 . 1 1 63 63 ARG HB3 H 1 1.836 0.02 . 2 . . . . 63 Arg HB3 . 18215 1 618 . 1 1 63 63 ARG C C 13 175.873 0.3 . 1 . . . . 63 Arg C . 18215 1 619 . 1 1 63 63 ARG CA C 13 55.903 0.3 . 1 . . . . 63 Arg CA . 18215 1 620 . 1 1 63 63 ARG CB C 13 30.246 0.3 . 1 . . . . 63 Arg CB . 18215 1 621 . 1 1 63 63 ARG N N 15 122.522 0.3 . 1 . . . . 63 Arg N . 18215 1 622 . 1 1 64 64 TYR H H 1 8.917 0.02 . 1 . . . . 64 Tyr H . 18215 1 623 . 1 1 64 64 TYR HA H 1 4.618 0.02 . 1 . . . . 64 Tyr HA . 18215 1 624 . 1 1 64 64 TYR HB2 H 1 3.038 0.02 . 2 . . . . 64 Tyr HB2 . 18215 1 625 . 1 1 64 64 TYR HB3 H 1 2.654 0.02 . 2 . . . . 64 Tyr HB3 . 18215 1 626 . 1 1 64 64 TYR HD1 H 1 6.715 0.02 . 3 . . . . 64 Tyr HD1 . 18215 1 627 . 1 1 64 64 TYR HD2 H 1 6.715 0.02 . 3 . . . . 64 Tyr HD2 . 18215 1 628 . 1 1 64 64 TYR HE1 H 1 6.457 0.02 . 3 . . . . 64 Tyr HE1 . 18215 1 629 . 1 1 64 64 TYR HE2 H 1 6.457 0.02 . 3 . . . . 64 Tyr HE2 . 18215 1 630 . 1 1 64 64 TYR C C 13 174.119 0.3 . 1 . . . . 64 Tyr C . 18215 1 631 . 1 1 64 64 TYR CA C 13 57.222 0.3 . 1 . . . . 64 Tyr CA . 18215 1 632 . 1 1 64 64 TYR CB C 13 40.384 0.3 . 1 . . . . 64 Tyr CB . 18215 1 633 . 1 1 64 64 TYR CD1 C 13 132.500 0.3 . 3 . . . . 64 Tyr CD1 . 18215 1 634 . 1 1 64 64 TYR CD2 C 13 132.500 0.3 . 3 . . . . 64 Tyr CD2 . 18215 1 635 . 1 1 64 64 TYR CE1 C 13 117.660 0.3 . 3 . . . . 64 Tyr CE1 . 18215 1 636 . 1 1 64 64 TYR CE2 C 13 117.699 0.3 . 3 . . . . 64 Tyr CE2 . 18215 1 637 . 1 1 64 64 TYR N N 15 129.069 0.3 . 1 . . . . 64 Tyr N . 18215 1 638 . 1 1 65 65 GLN H H 1 8.195 0.02 . 1 . . . . 65 Gln H . 18215 1 639 . 1 1 65 65 GLN HA H 1 4.917 0.02 . 1 . . . . 65 Gln HA . 18215 1 640 . 1 1 65 65 GLN HB2 H 1 1.976 0.02 . 2 . . . . 65 Gln HB2 . 18215 1 641 . 1 1 65 65 GLN HB3 H 1 1.976 0.02 . 2 . . . . 65 Gln HB3 . 18215 1 642 . 1 1 65 65 GLN HG2 H 1 2.166 0.02 . 2 . . . . 65 Gln HG2 . 18215 1 643 . 1 1 65 65 GLN HG3 H 1 2.166 0.02 . 2 . . . . 65 Gln HG3 . 18215 1 644 . 1 1 65 65 GLN HE21 H 1 7.300 0.02 . 2 . . . . 65 Gln HE21 . 18215 1 645 . 1 1 65 65 GLN HE22 H 1 6.887 0.02 . 2 . . . . 65 Gln HE22 . 18215 1 646 . 1 1 65 65 GLN C C 13 181.642 0.3 . 1 . . . . 65 Gln C . 18215 1 647 . 1 1 65 65 GLN CA C 13 51.794 0.3 . 1 . . . . 65 Gln CA . 18215 1 648 . 1 1 65 65 GLN CB C 13 29.713 0.3 . 1 . . . . 65 Gln CB . 18215 1 649 . 1 1 65 65 GLN CG C 13 33.365 0.3 . 1 . . . . 65 Gln CG . 18215 1 650 . 1 1 65 65 GLN N N 15 126.597 0.3 . 1 . . . . 65 Gln N . 18215 1 651 . 1 1 65 65 GLN NE2 N 15 110.870 0.3 . 1 . . . . 65 Gln NE2 . 18215 1 652 . 1 1 66 66 PRO HA H 1 4.248 0.02 . 1 . . . . 66 Pro HA . 18215 1 653 . 1 1 66 66 PRO C C 13 175.965 0.3 . 1 . . . . 66 Pro C . 18215 1 654 . 1 1 66 66 PRO CA C 13 62.296 0.3 . 1 . . . . 66 Pro CA . 18215 1 655 . 1 1 66 66 PRO CB C 13 31.880 0.3 . 1 . . . . 66 Pro CB . 18215 1 656 . 1 1 66 66 PRO CG C 13 26.768 0.3 . 1 . . . . 66 Pro CG . 18215 1 657 . 1 1 67 67 ALA H H 1 7.958 0.02 . 1 . . . . 67 Ala H . 18215 1 658 . 1 1 67 67 ALA HA H 1 4.220 0.02 . 1 . . . . 67 Ala HA . 18215 1 659 . 1 1 67 67 ALA HB1 H 1 1.103 0.02 . 1 . . . . 67 Ala HB . 18215 1 660 . 1 1 67 67 ALA HB2 H 1 1.103 0.02 . 1 . . . . 67 Ala HB . 18215 1 661 . 1 1 67 67 ALA HB3 H 1 1.103 0.02 . 1 . . . . 67 Ala HB . 18215 1 662 . 1 1 67 67 ALA C C 13 177.389 0.3 . 1 . . . . 67 Ala C . 18215 1 663 . 1 1 67 67 ALA CA C 13 51.758 0.3 . 1 . . . . 67 Ala CA . 18215 1 664 . 1 1 67 67 ALA CB C 13 18.481 0.3 . 1 . . . . 67 Ala CB . 18215 1 665 . 1 1 67 67 ALA N N 15 125.692 0.3 . 1 . . . . 67 Ala N . 18215 1 666 . 1 1 68 68 ARG H H 1 8.623 0.02 . 1 . . . . 68 Arg H . 18215 1 667 . 1 1 68 68 ARG HA H 1 4.095 0.02 . 1 . . . . 68 Arg HA . 18215 1 668 . 1 1 68 68 ARG C C 13 175.871 0.3 . 1 . . . . 68 Arg C . 18215 1 669 . 1 1 68 68 ARG CA C 13 57.802 0.3 . 1 . . . . 68 Arg CA . 18215 1 670 . 1 1 68 68 ARG CB C 13 30.103 0.3 . 1 . . . . 68 Arg CB . 18215 1 671 . 1 1 68 68 ARG N N 15 124.385 0.3 . 1 . . . . 68 Arg N . 18215 1 672 . 1 1 69 69 ASP H H 1 8.129 0.02 . 1 . . . . 69 Asp H . 18215 1 673 . 1 1 69 69 ASP HA H 1 5.046 0.02 . 1 . . . . 69 Asp HA . 18215 1 674 . 1 1 69 69 ASP HB2 H 1 2.471 0.02 . 2 . . . . 69 Asp HB2 . 18215 1 675 . 1 1 69 69 ASP HB3 H 1 2.659 0.02 . 2 . . . . 69 Asp HB3 . 18215 1 676 . 1 1 69 69 ASP C C 13 175.887 0.3 . 1 . . . . 69 Asp C . 18215 1 677 . 1 1 69 69 ASP CA C 13 51.555 0.3 . 1 . . . . 69 Asp CA . 18215 1 678 . 1 1 69 69 ASP CB C 13 41.623 0.3 . 1 . . . . 69 Asp CB . 18215 1 679 . 1 1 69 69 ASP N N 15 117.818 0.3 . 1 . . . . 69 Asp N . 18215 1 680 . 1 1 70 70 PRO HA H 1 4.444 0.02 . 1 . . . . 70 Pro HA . 18215 1 681 . 1 1 70 70 PRO HB2 H 1 2.207 0.02 . 2 . . . . 70 Pro HB2 . 18215 1 682 . 1 1 70 70 PRO HB3 H 1 1.986 0.02 . 2 . . . . 70 Pro HB3 . 18215 1 683 . 1 1 70 70 PRO HG2 H 1 2.039 0.02 . 2 . . . . 70 Pro HG2 . 18215 1 684 . 1 1 70 70 PRO HG3 H 1 2.120 0.02 . 2 . . . . 70 Pro HG3 . 18215 1 685 . 1 1 70 70 PRO HD2 H 1 3.747 0.02 . 2 . . . . 70 Pro HD2 . 18215 1 686 . 1 1 70 70 PRO HD3 H 1 3.668 0.02 . 2 . . . . 70 Pro HD3 . 18215 1 687 . 1 1 70 70 PRO C C 13 176.236 0.3 . 1 . . . . 70 Pro C . 18215 1 688 . 1 1 70 70 PRO CA C 13 63.477 0.3 . 1 . . . . 70 Pro CA . 18215 1 689 . 1 1 70 70 PRO CB C 13 31.887 0.3 . 1 . . . . 70 Pro CB . 18215 1 690 . 1 1 70 70 PRO CG C 13 27.472 0.3 . 1 . . . . 70 Pro CG . 18215 1 691 . 1 1 70 70 PRO CD C 13 50.665 0.3 . 1 . . . . 70 Pro CD . 18215 1 692 . 1 1 71 71 GLU H H 1 7.969 0.02 . 1 . . . . 71 Glu H . 18215 1 693 . 1 1 71 71 GLU HA H 1 4.533 0.02 . 1 . . . . 71 Glu HA . 18215 1 694 . 1 1 71 71 GLU HB2 H 1 2.042 0.02 . 2 . . . . 71 Glu HB2 . 18215 1 695 . 1 1 71 71 GLU HB3 H 1 1.989 0.02 . 2 . . . . 71 Glu HB3 . 18215 1 696 . 1 1 71 71 GLU HG2 H 1 2.311 0.02 . 2 . . . . 71 Glu HG2 . 18215 1 697 . 1 1 71 71 GLU HG3 H 1 2.289 0.02 . 2 . . . . 71 Glu HG3 . 18215 1 698 . 1 1 71 71 GLU C C 13 174.767 0.3 . 1 . . . . 71 Glu C . 18215 1 699 . 1 1 71 71 GLU CA C 13 55.402 0.3 . 1 . . . . 71 Glu CA . 18215 1 700 . 1 1 71 71 GLU CB C 13 32.650 0.3 . 1 . . . . 71 Glu CB . 18215 1 701 . 1 1 71 71 GLU CG C 13 36.105 0.3 . 1 . . . . 71 Glu CG . 18215 1 702 . 1 1 71 71 GLU N N 15 123.478 0.3 . 1 . . . . 71 Glu N . 18215 1 703 . 1 1 72 72 ALA H H 1 8.656 0.02 . 1 . . . . 72 Ala H . 18215 1 704 . 1 1 72 72 ALA HA H 1 4.845 0.02 . 1 . . . . 72 Ala HA . 18215 1 705 . 1 1 72 72 ALA HB1 H 1 1.364 0.02 . 1 . . . . 72 Ala HB . 18215 1 706 . 1 1 72 72 ALA HB2 H 1 1.364 0.02 . 1 . . . . 72 Ala HB . 18215 1 707 . 1 1 72 72 ALA HB3 H 1 1.364 0.02 . 1 . . . . 72 Ala HB . 18215 1 708 . 1 1 72 72 ALA C C 13 177.335 0.3 . 1 . . . . 72 Ala C . 18215 1 709 . 1 1 72 72 ALA CA C 13 52.378 0.3 . 1 . . . . 72 Ala CA . 18215 1 710 . 1 1 72 72 ALA CB C 13 19.270 0.3 . 1 . . . . 72 Ala CB . 18215 1 711 . 1 1 72 72 ALA N N 15 126.916 0.3 . 1 . . . . 72 Ala N . 18215 1 712 . 1 1 73 73 VAL H H 1 9.245 0.02 . 1 . . . . 73 Val H . 18215 1 713 . 1 1 73 73 VAL HA H 1 4.547 0.02 . 1 . . . . 73 Val HA . 18215 1 714 . 1 1 73 73 VAL HB H 1 2.212 0.02 . 1 . . . . 73 Val HB . 18215 1 715 . 1 1 73 73 VAL HG11 H 1 1.078 0.02 . 2 . . . . 73 Val HG1 . 18215 1 716 . 1 1 73 73 VAL HG12 H 1 1.078 0.02 . 2 . . . . 73 Val HG1 . 18215 1 717 . 1 1 73 73 VAL HG13 H 1 1.078 0.02 . 2 . . . . 73 Val HG1 . 18215 1 718 . 1 1 73 73 VAL HG21 H 1 1.043 0.02 . 2 . . . . 73 Val HG2 . 18215 1 719 . 1 1 73 73 VAL HG22 H 1 1.043 0.02 . 2 . . . . 73 Val HG2 . 18215 1 720 . 1 1 73 73 VAL HG23 H 1 1.043 0.02 . 2 . . . . 73 Val HG2 . 18215 1 721 . 1 1 73 73 VAL C C 13 174.125 0.3 . 1 . . . . 73 Val C . 18215 1 722 . 1 1 73 73 VAL CA C 13 60.351 0.3 . 1 . . . . 73 Val CA . 18215 1 723 . 1 1 73 73 VAL CB C 13 35.499 0.3 . 1 . . . . 73 Val CB . 18215 1 724 . 1 1 73 73 VAL CG1 C 13 20.703 0.3 . 2 . . . . 73 Val CG1 . 18215 1 725 . 1 1 73 73 VAL CG2 C 13 21.405 0.3 . 2 . . . . 73 Val CG2 . 18215 1 726 . 1 1 73 73 VAL N N 15 121.131 0.3 . 1 . . . . 73 Val N . 18215 1 727 . 1 1 74 74 GLU H H 1 8.494 0.02 . 1 . . . . 74 Glu H . 18215 1 728 . 1 1 74 74 GLU C C 13 176.260 0.3 . 1 . . . . 74 Glu C . 18215 1 729 . 1 1 74 74 GLU CA C 13 55.200 0.3 . 1 . . . . 74 Glu CA . 18215 1 730 . 1 1 74 74 GLU CB C 13 31.113 0.3 . 1 . . . . 74 Glu CB . 18215 1 731 . 1 1 74 74 GLU N N 15 122.539 0.3 . 1 . . . . 74 Glu N . 18215 1 732 . 1 1 75 75 LEU H H 1 9.143 0.02 . 1 . . . . 75 Leu H . 18215 1 733 . 1 1 75 75 LEU HD11 H 1 0.581 0.02 . 2 . . . . 75 Leu HD1 . 18215 1 734 . 1 1 75 75 LEU HD12 H 1 0.581 0.02 . 2 . . . . 75 Leu HD1 . 18215 1 735 . 1 1 75 75 LEU HD13 H 1 0.581 0.02 . 2 . . . . 75 Leu HD1 . 18215 1 736 . 1 1 75 75 LEU HD21 H 1 -0.088 0.02 . 2 . . . . 75 Leu HD2 . 18215 1 737 . 1 1 75 75 LEU HD22 H 1 -0.088 0.02 . 2 . . . . 75 Leu HD2 . 18215 1 738 . 1 1 75 75 LEU HD23 H 1 -0.088 0.02 . 2 . . . . 75 Leu HD2 . 18215 1 739 . 1 1 75 75 LEU C C 13 176.559 0.3 . 1 . . . . 75 Leu C . 18215 1 740 . 1 1 75 75 LEU CA C 13 53.718 0.3 . 1 . . . . 75 Leu CA . 18215 1 741 . 1 1 75 75 LEU CB C 13 42.304 0.3 . 1 . . . . 75 Leu CB . 18215 1 742 . 1 1 75 75 LEU CD1 C 13 22.716 0.3 . 2 . . . . 75 Leu CD1 . 18215 1 743 . 1 1 75 75 LEU CD2 C 13 23.947 0.3 . 2 . . . . 75 Leu CD2 . 18215 1 744 . 1 1 75 75 LEU N N 15 125.326 0.3 . 1 . . . . 75 Leu N . 18215 1 745 . 1 1 76 76 GLU H H 1 8.476 0.02 . 1 . . . . 76 Glu H . 18215 1 746 . 1 1 76 76 GLU HA H 1 4.165 0.02 . 1 . . . . 76 Glu HA . 18215 1 747 . 1 1 76 76 GLU HB2 H 1 2.056 0.02 . 2 . . . . 76 Glu HB2 . 18215 1 748 . 1 1 76 76 GLU HB3 H 1 1.904 0.02 . 2 . . . . 76 Glu HB3 . 18215 1 749 . 1 1 76 76 GLU HG2 H 1 2.430 0.02 . 2 . . . . 76 Glu HG2 . 18215 1 750 . 1 1 76 76 GLU HG3 H 1 2.294 0.02 . 2 . . . . 76 Glu HG3 . 18215 1 751 . 1 1 76 76 GLU C C 13 175.454 0.3 . 1 . . . . 76 Glu C . 18215 1 752 . 1 1 76 76 GLU CA C 13 56.725 0.3 . 1 . . . . 76 Glu CA . 18215 1 753 . 1 1 76 76 GLU CB C 13 30.748 0.3 . 1 . . . . 76 Glu CB . 18215 1 754 . 1 1 76 76 GLU CG C 13 36.976 0.3 . 1 . . . . 76 Glu CG . 18215 1 755 . 1 1 76 76 GLU N N 15 121.314 0.3 . 1 . . . . 76 Glu N . 18215 1 756 . 1 1 77 77 THR H H 1 8.668 0.02 . 1 . . . . 77 Thr H . 18215 1 757 . 1 1 77 77 THR HA H 1 5.425 0.02 . 1 . . . . 77 Thr HA . 18215 1 758 . 1 1 77 77 THR HB H 1 4.005 0.02 . 1 . . . . 77 Thr HB . 18215 1 759 . 1 1 77 77 THR HG21 H 1 1.144 0.02 . 1 . . . . 77 Thr HG2 . 18215 1 760 . 1 1 77 77 THR HG22 H 1 1.144 0.02 . 1 . . . . 77 Thr HG2 . 18215 1 761 . 1 1 77 77 THR HG23 H 1 1.144 0.02 . 1 . . . . 77 Thr HG2 . 18215 1 762 . 1 1 77 77 THR C C 13 177.217 0.3 . 1 . . . . 77 Thr C . 18215 1 763 . 1 1 77 77 THR CA C 13 59.384 0.3 . 1 . . . . 77 Thr CA . 18215 1 764 . 1 1 77 77 THR CB C 13 73.299 0.3 . 1 . . . . 77 Thr CB . 18215 1 765 . 1 1 77 77 THR CG2 C 13 21.982 0.3 . 1 . . . . 77 Thr CG2 . 18215 1 766 . 1 1 77 77 THR N N 15 109.033 0.3 . 1 . . . . 77 Thr N . 18215 1 767 . 1 1 78 78 THR H H 1 8.597 0.02 . 1 . . . . 78 Thr H . 18215 1 768 . 1 1 78 78 THR HA H 1 3.884 0.02 . 1 . . . . 78 Thr HA . 18215 1 769 . 1 1 78 78 THR HB H 1 4.382 0.02 . 1 . . . . 78 Thr HB . 18215 1 770 . 1 1 78 78 THR HG21 H 1 1.177 0.02 . 1 . . . . 78 Thr HG2 . 18215 1 771 . 1 1 78 78 THR HG22 H 1 1.177 0.02 . 1 . . . . 78 Thr HG2 . 18215 1 772 . 1 1 78 78 THR HG23 H 1 1.177 0.02 . 1 . . . . 78 Thr HG2 . 18215 1 773 . 1 1 78 78 THR C C 13 176.007 0.3 . 1 . . . . 78 Thr C . 18215 1 774 . 1 1 78 78 THR CA C 13 64.064 0.3 . 1 . . . . 78 Thr CA . 18215 1 775 . 1 1 78 78 THR CB C 13 69.572 0.3 . 1 . . . . 78 Thr CB . 18215 1 776 . 1 1 78 78 THR CG2 C 13 23.171 0.3 . 1 . . . . 78 Thr CG2 . 18215 1 777 . 1 1 78 78 THR N N 15 109.922 0.3 . 1 . . . . 78 Thr N . 18215 1 778 . 1 1 79 79 ARG H H 1 7.345 0.02 . 1 . . . . 79 Arg H . 18215 1 779 . 1 1 79 79 ARG HA H 1 4.506 0.02 . 1 . . . . 79 Arg HA . 18215 1 780 . 1 1 79 79 ARG HB2 H 1 1.859 0.02 . 2 . . . . 79 Arg HB2 . 18215 1 781 . 1 1 79 79 ARG HB3 H 1 1.740 0.02 . 2 . . . . 79 Arg HB3 . 18215 1 782 . 1 1 79 79 ARG HG2 H 1 1.607 0.02 . 2 . . . . 79 Arg HG2 . 18215 1 783 . 1 1 79 79 ARG HG3 H 1 1.607 0.02 . 2 . . . . 79 Arg HG3 . 18215 1 784 . 1 1 79 79 ARG HD2 H 1 3.129 0.02 . 2 . . . . 79 Arg HD2 . 18215 1 785 . 1 1 79 79 ARG HD3 H 1 3.129 0.02 . 2 . . . . 79 Arg HD3 . 18215 1 786 . 1 1 79 79 ARG C C 13 175.140 0.3 . 1 . . . . 79 Arg C . 18215 1 787 . 1 1 79 79 ARG CA C 13 56.331 0.3 . 1 . . . . 79 Arg CA . 18215 1 788 . 1 1 79 79 ARG CB C 13 31.900 0.3 . 1 . . . . 79 Arg CB . 18215 1 789 . 1 1 79 79 ARG CG C 13 27.041 0.3 . 1 . . . . 79 Arg CG . 18215 1 790 . 1 1 79 79 ARG CD C 13 43.385 0.3 . 1 . . . . 79 Arg CD . 18215 1 791 . 1 1 79 79 ARG N N 15 118.053 0.3 . 1 . . . . 79 Arg N . 18215 1 792 . 1 1 80 80 GLY H H 1 8.106 0.02 . 1 . . . . 80 Gly H . 18215 1 793 . 1 1 80 80 GLY HA2 H 1 4.370 0.02 . 2 . . . . 80 Gly HA2 . 18215 1 794 . 1 1 80 80 GLY HA3 H 1 3.919 0.02 . 2 . . . . 80 Gly HA3 . 18215 1 795 . 1 1 80 80 GLY C C 13 171.121 0.3 . 1 . . . . 80 Gly C . 18215 1 796 . 1 1 80 80 GLY CA C 13 44.784 0.3 . 1 . . . . 80 Gly CA . 18215 1 797 . 1 1 80 80 GLY N N 15 111.218 0.3 . 1 . . . . 80 Gly N . 18215 1 798 . 1 1 82 82 PRO HA H 1 4.693 0.02 . 1 . . . . 82 Pro HA . 18215 1 799 . 1 1 82 82 PRO HB2 H 1 2.151 0.02 . 2 . . . . 82 Pro HB2 . 18215 1 800 . 1 1 82 82 PRO HB3 H 1 1.626 0.02 . 2 . . . . 82 Pro HB3 . 18215 1 801 . 1 1 82 82 PRO HG2 H 1 1.938 0.02 . 2 . . . . 82 Pro HG2 . 18215 1 802 . 1 1 82 82 PRO HG3 H 1 1.938 0.02 . 2 . . . . 82 Pro HG3 . 18215 1 803 . 1 1 82 82 PRO HD2 H 1 3.809 0.02 . 2 . . . . 82 Pro HD2 . 18215 1 804 . 1 1 82 82 PRO HD3 H 1 3.569 0.02 . 2 . . . . 82 Pro HD3 . 18215 1 805 . 1 1 82 82 PRO C C 13 175.336 0.3 . 1 . . . . 82 Pro C . 18215 1 806 . 1 1 82 82 PRO CA C 13 63.408 0.3 . 1 . . . . 82 Pro CA . 18215 1 807 . 1 1 82 82 PRO CB C 13 32.974 0.3 . 1 . . . . 82 Pro CB . 18215 1 808 . 1 1 82 82 PRO CG C 13 27.365 0.3 . 1 . . . . 82 Pro CG . 18215 1 809 . 1 1 82 82 PRO CD C 13 50.673 0.3 . 1 . . . . 82 Pro CD . 18215 1 810 . 1 1 83 83 ALA H H 1 8.873 0.02 . 1 . . . . 83 Ala H . 18215 1 811 . 1 1 83 83 ALA HA H 1 4.671 0.02 . 1 . . . . 83 Ala HA . 18215 1 812 . 1 1 83 83 ALA HB1 H 1 1.285 0.02 . 1 . . . . 83 Ala HB . 18215 1 813 . 1 1 83 83 ALA HB2 H 1 1.285 0.02 . 1 . . . . 83 Ala HB . 18215 1 814 . 1 1 83 83 ALA HB3 H 1 1.285 0.02 . 1 . . . . 83 Ala HB . 18215 1 815 . 1 1 83 83 ALA C C 13 175.657 0.3 . 1 . . . . 83 Ala C . 18215 1 816 . 1 1 83 83 ALA CA C 13 50.561 0.3 . 1 . . . . 83 Ala CA . 18215 1 817 . 1 1 83 83 ALA CB C 13 22.656 0.3 . 1 . . . . 83 Ala CB . 18215 1 818 . 1 1 83 83 ALA N N 15 124.721 0.3 . 1 . . . . 83 Ala N . 18215 1 819 . 1 1 84 84 GLU H H 1 8.315 0.02 . 1 . . . . 84 Glu H . 18215 1 820 . 1 1 84 84 GLU HA H 1 4.854 0.02 . 1 . . . . 84 Glu HA . 18215 1 821 . 1 1 84 84 GLU HB2 H 1 1.865 0.02 . 2 . . . . 84 Glu HB2 . 18215 1 822 . 1 1 84 84 GLU HB3 H 1 1.865 0.02 . 2 . . . . 84 Glu HB3 . 18215 1 823 . 1 1 84 84 GLU HG2 H 1 2.215 0.02 . 2 . . . . 84 Glu HG2 . 18215 1 824 . 1 1 84 84 GLU HG3 H 1 2.035 0.02 . 2 . . . . 84 Glu HG3 . 18215 1 825 . 1 1 84 84 GLU C C 13 175.858 0.3 . 1 . . . . 84 Glu C . 18215 1 826 . 1 1 84 84 GLU CA C 13 56.301 0.3 . 1 . . . . 84 Glu CA . 18215 1 827 . 1 1 84 84 GLU CB C 13 31.328 0.3 . 1 . . . . 84 Glu CB . 18215 1 828 . 1 1 84 84 GLU CG C 13 37.198 0.3 . 1 . . . . 84 Glu CG . 18215 1 829 . 1 1 84 84 GLU N N 15 121.233 0.3 . 1 . . . . 84 Glu N . 18215 1 830 . 1 1 85 85 TYR H H 1 9.035 0.02 . 1 . . . . 85 Tyr H . 18215 1 831 . 1 1 85 85 TYR HA H 1 4.867 0.02 . 1 . . . . 85 Tyr HA . 18215 1 832 . 1 1 85 85 TYR HB2 H 1 3.133 0.02 . 2 . . . . 85 Tyr HB2 . 18215 1 833 . 1 1 85 85 TYR HB3 H 1 2.414 0.02 . 2 . . . . 85 Tyr HB3 . 18215 1 834 . 1 1 85 85 TYR HD1 H 1 6.999 0.02 . 3 . . . . 85 Tyr HD1 . 18215 1 835 . 1 1 85 85 TYR HD2 H 1 6.999 0.02 . 3 . . . . 85 Tyr HD2 . 18215 1 836 . 1 1 85 85 TYR HE1 H 1 6.446 0.02 . 3 . . . . 85 Tyr HE1 . 18215 1 837 . 1 1 85 85 TYR HE2 H 1 6.448 0.02 . 3 . . . . 85 Tyr HE2 . 18215 1 838 . 1 1 85 85 TYR C C 13 175.147 0.3 . 1 . . . . 85 Tyr C . 18215 1 839 . 1 1 85 85 TYR CA C 13 57.148 0.3 . 1 . . . . 85 Tyr CA . 18215 1 840 . 1 1 85 85 TYR CB C 13 44.086 0.3 . 1 . . . . 85 Tyr CB . 18215 1 841 . 1 1 85 85 TYR CD1 C 13 132.758 0.3 . 3 . . . . 85 Tyr CD1 . 18215 1 842 . 1 1 85 85 TYR CD2 C 13 132.758 0.3 . 3 . . . . 85 Tyr CD2 . 18215 1 843 . 1 1 85 85 TYR CE1 C 13 118.170 0.3 . 3 . . . . 85 Tyr CE1 . 18215 1 844 . 1 1 85 85 TYR CE2 C 13 118.170 0.3 . 3 . . . . 85 Tyr CE2 . 18215 1 845 . 1 1 85 85 TYR N N 15 123.797 0.3 . 1 . . . . 85 Tyr N . 18215 1 846 . 1 1 86 86 THR H H 1 9.060 0.02 . 1 . . . . 86 Thr H . 18215 1 847 . 1 1 86 86 THR HA H 1 4.925 0.02 . 1 . . . . 86 Thr HA . 18215 1 848 . 1 1 86 86 THR HB H 1 4.057 0.02 . 1 . . . . 86 Thr HB . 18215 1 849 . 1 1 86 86 THR HG21 H 1 1.163 0.02 . 1 . . . . 86 Thr HG2 . 18215 1 850 . 1 1 86 86 THR HG22 H 1 1.163 0.02 . 1 . . . . 86 Thr HG2 . 18215 1 851 . 1 1 86 86 THR HG23 H 1 1.163 0.02 . 1 . . . . 86 Thr HG2 . 18215 1 852 . 1 1 86 86 THR C C 13 175.067 0.3 . 1 . . . . 86 Thr C . 18215 1 853 . 1 1 86 86 THR CA C 13 62.364 0.3 . 1 . . . . 86 Thr CA . 18215 1 854 . 1 1 86 86 THR CB C 13 70.391 0.3 . 1 . . . . 86 Thr CB . 18215 1 855 . 1 1 86 86 THR CG2 C 13 22.110 0.3 . 1 . . . . 86 Thr CG2 . 18215 1 856 . 1 1 86 86 THR N N 15 115.979 0.3 . 1 . . . . 86 Thr N . 18215 1 857 . 1 1 87 87 ARG H H 1 9.254 0.02 . 1 . . . . 87 Arg H . 18215 1 858 . 1 1 87 87 ARG HA H 1 4.086 0.02 . 1 . . . . 87 Arg HA . 18215 1 859 . 1 1 87 87 ARG HB2 H 1 1.804 0.02 . 2 . . . . 87 Arg HB2 . 18215 1 860 . 1 1 87 87 ARG HB3 H 1 1.804 0.02 . 2 . . . . 87 Arg HB3 . 18215 1 861 . 1 1 87 87 ARG HG2 H 1 1.679 0.02 . 2 . . . . 87 Arg HG2 . 18215 1 862 . 1 1 87 87 ARG HG3 H 1 1.633 0.02 . 2 . . . . 87 Arg HG3 . 18215 1 863 . 1 1 87 87 ARG HD2 H 1 3.196 0.02 . 2 . . . . 87 Arg HD2 . 18215 1 864 . 1 1 87 87 ARG HD3 H 1 3.196 0.02 . 2 . . . . 87 Arg HD3 . 18215 1 865 . 1 1 87 87 ARG C C 13 174.034 0.3 . 1 . . . . 87 Arg C . 18215 1 866 . 1 1 87 87 ARG CA C 13 57.932 0.3 . 1 . . . . 87 Arg CA . 18215 1 867 . 1 1 87 87 ARG CB C 13 30.210 0.3 . 1 . . . . 87 Arg CB . 18215 1 868 . 1 1 87 87 ARG CG C 13 27.240 0.3 . 1 . . . . 87 Arg CG . 18215 1 869 . 1 1 87 87 ARG CD C 13 43.335 0.3 . 1 . . . . 87 Arg CD . 18215 1 870 . 1 1 87 87 ARG N N 15 128.895 0.3 . 1 . . . . 87 Arg N . 18215 1 871 . 1 1 88 88 ALA H H 1 8.652 0.02 . 1 . . . . 88 Ala H . 18215 1 872 . 1 1 88 88 ALA HA H 1 4.601 0.02 . 1 . . . . 88 Ala HA . 18215 1 873 . 1 1 88 88 ALA HB1 H 1 1.317 0.02 . 1 . . . . 88 Ala HB . 18215 1 874 . 1 1 88 88 ALA HB2 H 1 1.317 0.02 . 1 . . . . 88 Ala HB . 18215 1 875 . 1 1 88 88 ALA HB3 H 1 1.317 0.02 . 1 . . . . 88 Ala HB . 18215 1 876 . 1 1 88 88 ALA C C 13 178.590 0.3 . 1 . . . . 88 Ala C . 18215 1 877 . 1 1 88 88 ALA CA C 13 53.078 0.3 . 1 . . . . 88 Ala CA . 18215 1 878 . 1 1 88 88 ALA CB C 13 22.849 0.3 . 1 . . . . 88 Ala CB . 18215 1 879 . 1 1 88 88 ALA N N 15 127.849 0.3 . 1 . . . . 88 Ala N . 18215 1 880 . 1 1 89 89 ALA H H 1 7.947 0.02 . 1 . . . . 89 Ala H . 18215 1 881 . 1 1 89 89 ALA HA H 1 4.667 0.02 . 1 . . . . 89 Ala HA . 18215 1 882 . 1 1 89 89 ALA HB1 H 1 0.955 0.02 . 1 . . . . 89 Ala HB . 18215 1 883 . 1 1 89 89 ALA HB2 H 1 0.955 0.02 . 1 . . . . 89 Ala HB . 18215 1 884 . 1 1 89 89 ALA HB3 H 1 0.955 0.02 . 1 . . . . 89 Ala HB . 18215 1 885 . 1 1 89 89 ALA C C 13 173.994 0.3 . 1 . . . . 89 Ala C . 18215 1 886 . 1 1 89 89 ALA CA C 13 51.572 0.3 . 1 . . . . 89 Ala CA . 18215 1 887 . 1 1 89 89 ALA CB C 13 22.784 0.3 . 1 . . . . 89 Ala CB . 18215 1 888 . 1 1 89 89 ALA N N 15 117.934 0.3 . 1 . . . . 89 Ala N . 18215 1 889 . 1 1 90 90 VAL H H 1 8.195 0.02 . 1 . . . . 90 Val H . 18215 1 890 . 1 1 90 90 VAL HA H 1 4.620 0.02 . 1 . . . . 90 Val HA . 18215 1 891 . 1 1 90 90 VAL HB H 1 1.819 0.02 . 1 . . . . 90 Val HB . 18215 1 892 . 1 1 90 90 VAL HG11 H 1 0.861 0.02 . 2 . . . . 90 Val HG1 . 18215 1 893 . 1 1 90 90 VAL HG12 H 1 0.861 0.02 . 2 . . . . 90 Val HG1 . 18215 1 894 . 1 1 90 90 VAL HG13 H 1 0.861 0.02 . 2 . . . . 90 Val HG1 . 18215 1 895 . 1 1 90 90 VAL HG21 H 1 0.885 0.02 . 2 . . . . 90 Val HG2 . 18215 1 896 . 1 1 90 90 VAL HG22 H 1 0.885 0.02 . 2 . . . . 90 Val HG2 . 18215 1 897 . 1 1 90 90 VAL HG23 H 1 0.885 0.02 . 2 . . . . 90 Val HG2 . 18215 1 898 . 1 1 90 90 VAL C C 13 174.303 0.3 . 1 . . . . 90 Val C . 18215 1 899 . 1 1 90 90 VAL CA C 13 61.769 0.3 . 1 . . . . 90 Val CA . 18215 1 900 . 1 1 90 90 VAL CB C 13 34.476 0.3 . 1 . . . . 90 Val CB . 18215 1 901 . 1 1 90 90 VAL CG1 C 13 21.398 0.3 . 2 . . . . 90 Val CG1 . 18215 1 902 . 1 1 90 90 VAL CG2 C 13 21.435 0.3 . 2 . . . . 90 Val CG2 . 18215 1 903 . 1 1 90 90 VAL N N 15 118.366 0.3 . 1 . . . . 90 Val N . 18215 1 904 . 1 1 91 91 LEU H H 1 9.219 0.02 . 1 . . . . 91 Leu H . 18215 1 905 . 1 1 91 91 LEU HA H 1 5.341 0.02 . 1 . . . . 91 Leu HA . 18215 1 906 . 1 1 91 91 LEU HB2 H 1 1.848 0.02 . 2 . . . . 91 Leu HB2 . 18215 1 907 . 1 1 91 91 LEU HB3 H 1 1.132 0.02 . 2 . . . . 91 Leu HB3 . 18215 1 908 . 1 1 91 91 LEU HG H 1 1.537 0.02 . 1 . . . . 91 Leu HG . 18215 1 909 . 1 1 91 91 LEU HD11 H 1 0.755 0.02 . 2 . . . . 91 Leu HD1 . 18215 1 910 . 1 1 91 91 LEU HD12 H 1 0.755 0.02 . 2 . . . . 91 Leu HD1 . 18215 1 911 . 1 1 91 91 LEU HD13 H 1 0.755 0.02 . 2 . . . . 91 Leu HD1 . 18215 1 912 . 1 1 91 91 LEU HD21 H 1 0.685 0.02 . 2 . . . . 91 Leu HD2 . 18215 1 913 . 1 1 91 91 LEU HD22 H 1 0.685 0.02 . 2 . . . . 91 Leu HD2 . 18215 1 914 . 1 1 91 91 LEU HD23 H 1 0.685 0.02 . 2 . . . . 91 Leu HD2 . 18215 1 915 . 1 1 91 91 LEU C C 13 175.661 0.3 . 1 . . . . 91 Leu C . 18215 1 916 . 1 1 91 91 LEU CA C 13 52.610 0.3 . 1 . . . . 91 Leu CA . 18215 1 917 . 1 1 91 91 LEU CB C 13 43.708 0.3 . 1 . . . . 91 Leu CB . 18215 1 918 . 1 1 91 91 LEU CG C 13 27.271 0.3 . 1 . . . . 91 Leu CG . 18215 1 919 . 1 1 91 91 LEU CD1 C 13 24.797 0.3 . 2 . . . . 91 Leu CD1 . 18215 1 920 . 1 1 91 91 LEU CD2 C 13 27.079 0.3 . 2 . . . . 91 Leu CD2 . 18215 1 921 . 1 1 91 91 LEU N N 15 126.237 0.3 . 1 . . . . 91 Leu N . 18215 1 922 . 1 1 92 92 GLY H H 1 8.704 0.02 . 1 . . . . 92 Gly H . 18215 1 923 . 1 1 92 92 GLY HA2 H 1 5.320 0.02 . 2 . . . . 92 Gly HA2 . 18215 1 924 . 1 1 92 92 GLY HA3 H 1 3.770 0.02 . 2 . . . . 92 Gly HA3 . 18215 1 925 . 1 1 92 92 GLY C C 13 172.807 0.3 . 1 . . . . 92 Gly C . 18215 1 926 . 1 1 92 92 GLY CA C 13 44.252 0.3 . 1 . . . . 92 Gly CA . 18215 1 927 . 1 1 92 92 GLY N N 15 109.806 0.3 . 1 . . . . 92 Gly N . 18215 1 928 . 1 1 93 93 PHE H H 1 8.421 0.02 . 1 . . . . 93 Phe H . 18215 1 929 . 1 1 93 93 PHE HA H 1 5.171 0.02 . 1 . . . . 93 Phe HA . 18215 1 930 . 1 1 93 93 PHE HB2 H 1 3.002 0.02 . 2 . . . . 93 Phe HB2 . 18215 1 931 . 1 1 93 93 PHE HB3 H 1 2.946 0.02 . 2 . . . . 93 Phe HB3 . 18215 1 932 . 1 1 93 93 PHE HD1 H 1 6.777 0.02 . 3 . . . . 93 Phe HD1 . 18215 1 933 . 1 1 93 93 PHE HD2 H 1 6.777 0.02 . 3 . . . . 93 Phe HD2 . 18215 1 934 . 1 1 93 93 PHE HE1 H 1 6.857 0.02 . 3 . . . . 93 Phe HE1 . 18215 1 935 . 1 1 93 93 PHE C C 13 171.087 0.3 . 1 . . . . 93 Phe C . 18215 1 936 . 1 1 93 93 PHE CA C 13 55.902 0.3 . 1 . . . . 93 Phe CA . 18215 1 937 . 1 1 93 93 PHE CB C 13 41.341 0.3 . 1 . . . . 93 Phe CB . 18215 1 938 . 1 1 93 93 PHE CD1 C 13 132.968 0.3 . 3 . . . . 93 Phe CD1 . 18215 1 939 . 1 1 93 93 PHE CD2 C 13 132.968 0.3 . 3 . . . . 93 Phe CD2 . 18215 1 940 . 1 1 93 93 PHE CE1 C 13 129.625 0.3 . 3 . . . . 93 Phe CE1 . 18215 1 941 . 1 1 93 93 PHE N N 15 120.526 0.3 . 1 . . . . 93 Phe N . 18215 1 942 . 1 1 94 94 ASP H H 1 9.076 0.02 . 1 . . . . 94 Asp H . 18215 1 943 . 1 1 94 94 ASP HA H 1 5.538 0.02 . 1 . . . . 94 Asp HA . 18215 1 944 . 1 1 94 94 ASP HB2 H 1 2.613 0.02 . 2 . . . . 94 Asp HB2 . 18215 1 945 . 1 1 94 94 ASP HB3 H 1 2.557 0.02 . 2 . . . . 94 Asp HB3 . 18215 1 946 . 1 1 94 94 ASP C C 13 176.112 0.3 . 1 . . . . 94 Asp C . 18215 1 947 . 1 1 94 94 ASP CA C 13 53.049 0.3 . 1 . . . . 94 Asp CA . 18215 1 948 . 1 1 94 94 ASP CB C 13 42.852 0.3 . 1 . . . . 94 Asp CB . 18215 1 949 . 1 1 94 94 ASP N N 15 120.548 0.3 . 1 . . . . 94 Asp N . 18215 1 950 . 1 1 95 95 LEU H H 1 8.313 0.02 . 1 . . . . 95 Leu H . 18215 1 951 . 1 1 95 95 LEU HA H 1 4.602 0.02 . 1 . . . . 95 Leu HA . 18215 1 952 . 1 1 95 95 LEU HB2 H 1 1.719 0.02 . 2 . . . . 95 Leu HB2 . 18215 1 953 . 1 1 95 95 LEU HB3 H 1 1.528 0.02 . 2 . . . . 95 Leu HB3 . 18215 1 954 . 1 1 95 95 LEU HD11 H 1 0.730 0.02 . 2 . . . . 95 Leu HD1 . 18215 1 955 . 1 1 95 95 LEU HD12 H 1 0.730 0.02 . 2 . . . . 95 Leu HD1 . 18215 1 956 . 1 1 95 95 LEU HD13 H 1 0.730 0.02 . 2 . . . . 95 Leu HD1 . 18215 1 957 . 1 1 95 95 LEU HD21 H 1 0.820 0.02 . 2 . . . . 95 Leu HD2 . 18215 1 958 . 1 1 95 95 LEU HD22 H 1 0.820 0.02 . 2 . . . . 95 Leu HD2 . 18215 1 959 . 1 1 95 95 LEU HD23 H 1 0.820 0.02 . 2 . . . . 95 Leu HD2 . 18215 1 960 . 1 1 95 95 LEU C C 13 177.187 0.3 . 1 . . . . 95 Leu C . 18215 1 961 . 1 1 95 95 LEU CA C 13 54.881 0.3 . 1 . . . . 95 Leu CA . 18215 1 962 . 1 1 95 95 LEU CB C 13 44.515 0.3 . 1 . . . . 95 Leu CB . 18215 1 963 . 1 1 95 95 LEU CD1 C 13 25.176 0.3 . 2 . . . . 95 Leu CD1 . 18215 1 964 . 1 1 95 95 LEU CD2 C 13 24.894 0.3 . 2 . . . . 95 Leu CD2 . 18215 1 965 . 1 1 95 95 LEU N N 15 121.275 0.3 . 1 . . . . 95 Leu N . 18215 1 966 . 1 1 96 96 GLY H H 1 9.117 0.02 . 1 . . . . 96 Gly H . 18215 1 967 . 1 1 96 96 GLY HA2 H 1 3.695 0.02 . 2 . . . . 96 Gly HA2 . 18215 1 968 . 1 1 96 96 GLY HA3 H 1 3.932 0.02 . 2 . . . . 96 Gly HA3 . 18215 1 969 . 1 1 96 96 GLY C C 13 174.861 0.3 . 1 . . . . 96 Gly C . 18215 1 970 . 1 1 96 96 GLY CA C 13 47.166 0.3 . 1 . . . . 96 Gly CA . 18215 1 971 . 1 1 96 96 GLY N N 15 117.072 0.3 . 1 . . . . 96 Gly N . 18215 1 972 . 1 1 97 97 ASP H H 1 8.764 0.02 . 1 . . . . 97 Asp H . 18215 1 973 . 1 1 97 97 ASP HA H 1 4.567 0.02 . 1 . . . . 97 Asp HA . 18215 1 974 . 1 1 97 97 ASP HB2 H 1 2.801 0.02 . 2 . . . . 97 Asp HB2 . 18215 1 975 . 1 1 97 97 ASP HB3 H 1 2.731 0.02 . 2 . . . . 97 Asp HB3 . 18215 1 976 . 1 1 97 97 ASP C C 13 175.554 0.3 . 1 . . . . 97 Asp C . 18215 1 977 . 1 1 97 97 ASP CA C 13 54.625 0.3 . 1 . . . . 97 Asp CA . 18215 1 978 . 1 1 97 97 ASP CB C 13 40.738 0.3 . 1 . . . . 97 Asp CB . 18215 1 979 . 1 1 97 97 ASP N N 15 123.541 0.3 . 1 . . . . 97 Asp N . 18215 1 980 . 1 1 98 98 SER H H 1 7.634 0.02 . 1 . . . . 98 Ser H . 18215 1 981 . 1 1 98 98 SER HA H 1 4.590 0.02 . 1 . . . . 98 Ser HA . 18215 1 982 . 1 1 98 98 SER HB2 H 1 3.660 0.02 . 2 . . . . 98 Ser HB2 . 18215 1 983 . 1 1 98 98 SER HB3 H 1 3.559 0.02 . 2 . . . . 98 Ser HB3 . 18215 1 984 . 1 1 98 98 SER C C 13 170.784 0.3 . 1 . . . . 98 Ser C . 18215 1 985 . 1 1 98 98 SER CA C 13 57.795 0.3 . 1 . . . . 98 Ser CA . 18215 1 986 . 1 1 98 98 SER CB C 13 65.931 0.3 . 1 . . . . 98 Ser CB . 18215 1 987 . 1 1 98 98 SER N N 15 113.912 0.3 . 1 . . . . 98 Ser N . 18215 1 988 . 1 1 99 99 HIS H H 1 8.174 0.02 . 1 . . . . 99 His H . 18215 1 989 . 1 1 99 99 HIS HA H 1 4.976 0.02 . 1 . . . . 99 His HA . 18215 1 990 . 1 1 99 99 HIS HB2 H 1 2.923 0.02 . 2 . . . . 99 His HB2 . 18215 1 991 . 1 1 99 99 HIS HB3 H 1 2.917 0.02 . 2 . . . . 99 His HB3 . 18215 1 992 . 1 1 99 99 HIS HD2 H 1 7.030 0.02 . 1 . . . . 99 His HD2 . 18215 1 993 . 1 1 99 99 HIS C C 13 173.156 0.3 . 1 . . . . 99 His C . 18215 1 994 . 1 1 99 99 HIS CA C 13 54.515 0.3 . 1 . . . . 99 His CA . 18215 1 995 . 1 1 99 99 HIS CB C 13 30.146 0.3 . 1 . . . . 99 His CB . 18215 1 996 . 1 1 99 99 HIS N N 15 120.713 0.3 . 1 . . . . 99 His N . 18215 1 997 . 1 1 100 100 HIS H H 1 8.485 0.02 . 1 . . . . 100 His H . 18215 1 998 . 1 1 100 100 HIS HA H 1 4.855 0.02 . 1 . . . . 100 His HA . 18215 1 999 . 1 1 100 100 HIS HB2 H 1 2.670 0.02 . 2 . . . . 100 His HB2 . 18215 1 1000 . 1 1 100 100 HIS HB3 H 1 2.670 0.02 . 2 . . . . 100 His HB3 . 18215 1 1001 . 1 1 100 100 HIS C C 13 173.582 0.3 . 1 . . . . 100 His C . 18215 1 1002 . 1 1 100 100 HIS CA C 13 54.568 0.3 . 1 . . . . 100 His CA . 18215 1 1003 . 1 1 100 100 HIS CB C 13 34.652 0.3 . 1 . . . . 100 His CB . 18215 1 1004 . 1 1 100 100 HIS N N 15 124.689 0.3 . 1 . . . . 100 His N . 18215 1 1005 . 1 1 101 101 THR H H 1 7.812 0.02 . 1 . . . . 101 Thr H . 18215 1 1006 . 1 1 101 101 THR HA H 1 5.516 0.02 . 1 . . . . 101 Thr HA . 18215 1 1007 . 1 1 101 101 THR HB H 1 3.947 0.02 . 1 . . . . 101 Thr HB . 18215 1 1008 . 1 1 101 101 THR HG21 H 1 1.091 0.02 . 1 . . . . 101 Thr HG2 . 18215 1 1009 . 1 1 101 101 THR HG22 H 1 1.091 0.02 . 1 . . . . 101 Thr HG2 . 18215 1 1010 . 1 1 101 101 THR HG23 H 1 1.091 0.02 . 1 . . . . 101 Thr HG2 . 18215 1 1011 . 1 1 101 101 THR C C 13 174.453 0.3 . 1 . . . . 101 Thr C . 18215 1 1012 . 1 1 101 101 THR CA C 13 59.536 0.3 . 1 . . . . 101 Thr CA . 18215 1 1013 . 1 1 101 101 THR CB C 13 72.314 0.3 . 1 . . . . 101 Thr CB . 18215 1 1014 . 1 1 101 101 THR CG2 C 13 21.869 0.3 . 1 . . . . 101 Thr CG2 . 18215 1 1015 . 1 1 101 101 THR N N 15 109.457 0.3 . 1 . . . . 101 Thr N . 18215 1 1016 . 1 1 102 102 LEU H H 1 8.854 0.02 . 1 . . . . 102 Leu H . 18215 1 1017 . 1 1 102 102 LEU HA H 1 4.785 0.02 . 1 . . . . 102 Leu HA . 18215 1 1018 . 1 1 102 102 LEU HB2 H 1 1.475 0.02 . 2 . . . . 102 Leu HB2 . 18215 1 1019 . 1 1 102 102 LEU HB3 H 1 1.264 0.02 . 2 . . . . 102 Leu HB3 . 18215 1 1020 . 1 1 102 102 LEU HD11 H 1 1.072 0.02 . 2 . . . . 102 Leu HD1 . 18215 1 1021 . 1 1 102 102 LEU HD12 H 1 1.072 0.02 . 2 . . . . 102 Leu HD1 . 18215 1 1022 . 1 1 102 102 LEU HD13 H 1 1.072 0.02 . 2 . . . . 102 Leu HD1 . 18215 1 1023 . 1 1 102 102 LEU HD21 H 1 0.635 0.02 . 2 . . . . 102 Leu HD2 . 18215 1 1024 . 1 1 102 102 LEU HD22 H 1 0.635 0.02 . 2 . . . . 102 Leu HD2 . 18215 1 1025 . 1 1 102 102 LEU HD23 H 1 0.635 0.02 . 2 . . . . 102 Leu HD2 . 18215 1 1026 . 1 1 102 102 LEU C C 13 175.525 0.3 . 1 . . . . 102 Leu C . 18215 1 1027 . 1 1 102 102 LEU CA C 13 53.219 0.3 . 1 . . . . 102 Leu CA . 18215 1 1028 . 1 1 102 102 LEU CB C 13 48.221 0.3 . 1 . . . . 102 Leu CB . 18215 1 1029 . 1 1 102 102 LEU CD1 C 13 23.852 0.3 . 2 . . . . 102 Leu CD1 . 18215 1 1030 . 1 1 102 102 LEU CD2 C 13 25.366 0.3 . 2 . . . . 102 Leu CD2 . 18215 1 1031 . 1 1 102 102 LEU N N 15 121.037 0.3 . 1 . . . . 102 Leu N . 18215 1 1032 . 1 1 103 103 THR H H 1 9.719 0.02 . 1 . . . . 103 Thr H . 18215 1 1033 . 1 1 103 103 THR HA H 1 4.474 0.02 . 1 . . . . 103 Thr HA . 18215 1 1034 . 1 1 103 103 THR HB H 1 3.887 0.02 . 1 . . . . 103 Thr HB . 18215 1 1035 . 1 1 103 103 THR HG21 H 1 0.642 0.02 . 1 . . . . 103 Thr HG2 . 18215 1 1036 . 1 1 103 103 THR HG22 H 1 0.642 0.02 . 1 . . . . 103 Thr HG2 . 18215 1 1037 . 1 1 103 103 THR HG23 H 1 0.642 0.02 . 1 . . . . 103 Thr HG2 . 18215 1 1038 . 1 1 103 103 THR C C 13 171.978 0.3 . 1 . . . . 103 Thr C . 18215 1 1039 . 1 1 103 103 THR CA C 13 63.679 0.3 . 1 . . . . 103 Thr CA . 18215 1 1040 . 1 1 103 103 THR CB C 13 69.052 0.3 . 1 . . . . 103 Thr CB . 18215 1 1041 . 1 1 103 103 THR CG2 C 13 22.695 0.3 . 1 . . . . 103 Thr CG2 . 18215 1 1042 . 1 1 103 103 THR N N 15 119.976 0.3 . 1 . . . . 103 Thr N . 18215 1 1043 . 1 1 104 104 ALA H H 1 8.699 0.02 . 1 . . . . 104 Ala H . 18215 1 1044 . 1 1 104 104 ALA HA H 1 4.857 0.02 . 1 . . . . 104 Ala HA . 18215 1 1045 . 1 1 104 104 ALA HB1 H 1 1.105 0.02 . 1 . . . . 104 Ala HB . 18215 1 1046 . 1 1 104 104 ALA HB2 H 1 1.105 0.02 . 1 . . . . 104 Ala HB . 18215 1 1047 . 1 1 104 104 ALA HB3 H 1 1.105 0.02 . 1 . . . . 104 Ala HB . 18215 1 1048 . 1 1 104 104 ALA C C 13 175.623 0.3 . 1 . . . . 104 Ala C . 18215 1 1049 . 1 1 104 104 ALA CA C 13 49.080 0.3 . 1 . . . . 104 Ala CA . 18215 1 1050 . 1 1 104 104 ALA CB C 13 23.652 0.3 . 1 . . . . 104 Ala CB . 18215 1 1051 . 1 1 104 104 ALA N N 15 125.995 0.3 . 1 . . . . 104 Ala N . 18215 1 1052 . 1 1 105 105 PHE H H 1 9.169 0.02 . 1 . . . . 105 Phe H . 18215 1 1053 . 1 1 105 105 PHE HA H 1 5.381 0.02 . 1 . . . . 105 Phe HA . 18215 1 1054 . 1 1 105 105 PHE HB2 H 1 3.260 0.02 . 2 . . . . 105 Phe HB2 . 18215 1 1055 . 1 1 105 105 PHE HB3 H 1 2.756 0.02 . 2 . . . . 105 Phe HB3 . 18215 1 1056 . 1 1 105 105 PHE HD1 H 1 6.970 0.02 . 3 . . . . 105 Phe HD1 . 18215 1 1057 . 1 1 105 105 PHE HD2 H 1 6.970 0.02 . 3 . . . . 105 Phe HD2 . 18215 1 1058 . 1 1 105 105 PHE C C 13 174.471 0.3 . 1 . . . . 105 Phe C . 18215 1 1059 . 1 1 105 105 PHE CA C 13 57.187 0.3 . 1 . . . . 105 Phe CA . 18215 1 1060 . 1 1 105 105 PHE CB C 13 42.779 0.3 . 1 . . . . 105 Phe CB . 18215 1 1061 . 1 1 105 105 PHE CD1 C 13 131.731 0.3 . 3 . . . . 105 Phe CD1 . 18215 1 1062 . 1 1 105 105 PHE CD2 C 13 131.731 0.3 . 3 . . . . 105 Phe CD2 . 18215 1 1063 . 1 1 105 105 PHE N N 15 120.025 0.3 . 1 . . . . 105 Phe N . 18215 1 1064 . 1 1 106 106 ARG H H 1 9.135 0.02 . 1 . . . . 106 Arg H . 18215 1 1065 . 1 1 106 106 ARG HA H 1 4.955 0.02 . 1 . . . . 106 Arg HA . 18215 1 1066 . 1 1 106 106 ARG HB2 H 1 1.904 0.02 . 2 . . . . 106 Arg HB2 . 18215 1 1067 . 1 1 106 106 ARG HB3 H 1 1.741 0.02 . 2 . . . . 106 Arg HB3 . 18215 1 1068 . 1 1 106 106 ARG HG2 H 1 1.682 0.02 . 2 . . . . 106 Arg HG2 . 18215 1 1069 . 1 1 106 106 ARG HG3 H 1 1.627 0.02 . 2 . . . . 106 Arg HG3 . 18215 1 1070 . 1 1 106 106 ARG HD2 H 1 3.255 0.02 . 2 . . . . 106 Arg HD2 . 18215 1 1071 . 1 1 106 106 ARG HD3 H 1 3.256 0.02 . 2 . . . . 106 Arg HD3 . 18215 1 1072 . 1 1 106 106 ARG C C 13 175.794 0.3 . 1 . . . . 106 Arg C . 18215 1 1073 . 1 1 106 106 ARG CA C 13 55.627 0.3 . 1 . . . . 106 Arg CA . 18215 1 1074 . 1 1 106 106 ARG CB C 13 33.484 0.3 . 1 . . . . 106 Arg CB . 18215 1 1075 . 1 1 106 106 ARG CG C 13 27.543 0.3 . 1 . . . . 106 Arg CG . 18215 1 1076 . 1 1 106 106 ARG CD C 13 43.621 0.3 . 1 . . . . 106 Arg CD . 18215 1 1077 . 1 1 106 106 ARG N N 15 120.358 0.3 . 1 . . . . 106 Arg N . 18215 1 1078 . 1 1 107 107 VAL H H 1 9.362 0.02 . 1 . . . . 107 Val H . 18215 1 1079 . 1 1 107 107 VAL HA H 1 4.271 0.02 . 1 . . . . 107 Val HA . 18215 1 1080 . 1 1 107 107 VAL HB H 1 1.910 0.02 . 1 . . . . 107 Val HB . 18215 1 1081 . 1 1 107 107 VAL HG11 H 1 0.907 0.02 . 2 . . . . 107 Val HG1 . 18215 1 1082 . 1 1 107 107 VAL HG12 H 1 0.907 0.02 . 2 . . . . 107 Val HG1 . 18215 1 1083 . 1 1 107 107 VAL HG13 H 1 0.907 0.02 . 2 . . . . 107 Val HG1 . 18215 1 1084 . 1 1 107 107 VAL HG21 H 1 0.908 0.02 . 2 . . . . 107 Val HG2 . 18215 1 1085 . 1 1 107 107 VAL HG22 H 1 0.908 0.02 . 2 . . . . 107 Val HG2 . 18215 1 1086 . 1 1 107 107 VAL HG23 H 1 0.908 0.02 . 2 . . . . 107 Val HG2 . 18215 1 1087 . 1 1 107 107 VAL C C 13 175.952 0.3 . 1 . . . . 107 Val C . 18215 1 1088 . 1 1 107 107 VAL CA C 13 61.631 0.3 . 1 . . . . 107 Val CA . 18215 1 1089 . 1 1 107 107 VAL CB C 13 33.466 0.3 . 1 . . . . 107 Val CB . 18215 1 1090 . 1 1 107 107 VAL CG1 C 13 21.787 0.3 . 2 . . . . 107 Val CG1 . 18215 1 1091 . 1 1 107 107 VAL CG2 C 13 21.056 0.3 . 2 . . . . 107 Val CG2 . 18215 1 1092 . 1 1 107 107 VAL N N 15 127.358 0.3 . 1 . . . . 107 Val N . 18215 1 1093 . 1 1 108 108 GLU H H 1 8.694 0.02 . 1 . . . . 108 Glu H . 18215 1 1094 . 1 1 108 108 GLU HA H 1 4.030 0.02 . 1 . . . . 108 Glu HA . 18215 1 1095 . 1 1 108 108 GLU HB2 H 1 2.013 0.02 . 2 . . . . 108 Glu HB2 . 18215 1 1096 . 1 1 108 108 GLU HB3 H 1 1.968 0.02 . 2 . . . . 108 Glu HB3 . 18215 1 1097 . 1 1 108 108 GLU HG2 H 1 2.285 0.02 . 2 . . . . 108 Glu HG2 . 18215 1 1098 . 1 1 108 108 GLU HG3 H 1 2.285 0.02 . 2 . . . . 108 Glu HG3 . 18215 1 1099 . 1 1 108 108 GLU C C 13 177.389 0.3 . 1 . . . . 108 Glu C . 18215 1 1100 . 1 1 108 108 GLU CA C 13 58.448 0.3 . 1 . . . . 108 Glu CA . 18215 1 1101 . 1 1 108 108 GLU CB C 13 29.125 0.3 . 1 . . . . 108 Glu CB . 18215 1 1102 . 1 1 108 108 GLU CG C 13 35.880 0.3 . 1 . . . . 108 Glu CG . 18215 1 1103 . 1 1 108 108 GLU N N 15 127.561 0.3 . 1 . . . . 108 Glu N . 18215 1 1104 . 1 1 109 109 GLY H H 1 8.764 0.02 . 1 . . . . 109 Gly H . 18215 1 1105 . 1 1 109 109 GLY HA2 H 1 3.721 0.02 . 2 . . . . 109 Gly HA2 . 18215 1 1106 . 1 1 109 109 GLY HA3 H 1 4.270 0.02 . 2 . . . . 109 Gly HA3 . 18215 1 1107 . 1 1 109 109 GLY C C 13 173.935 0.3 . 1 . . . . 109 Gly C . 18215 1 1108 . 1 1 109 109 GLY CA C 13 45.355 0.3 . 1 . . . . 109 Gly CA . 18215 1 1109 . 1 1 109 109 GLY N N 15 113.493 0.3 . 1 . . . . 109 Gly N . 18215 1 1110 . 1 1 110 110 GLU H H 1 8.029 0.02 . 1 . . . . 110 Glu H . 18215 1 1111 . 1 1 110 110 GLU HA H 1 4.756 0.02 . 1 . . . . 110 Glu HA . 18215 1 1112 . 1 1 110 110 GLU HB2 H 1 2.021 0.02 . 2 . . . . 110 Glu HB2 . 18215 1 1113 . 1 1 110 110 GLU HB3 H 1 2.021 0.02 . 2 . . . . 110 Glu HB3 . 18215 1 1114 . 1 1 110 110 GLU HG2 H 1 2.290 0.02 . 2 . . . . 110 Glu HG2 . 18215 1 1115 . 1 1 110 110 GLU HG3 H 1 2.160 0.02 . 2 . . . . 110 Glu HG3 . 18215 1 1116 . 1 1 110 110 GLU C C 13 176.774 0.3 . 1 . . . . 110 Glu C . 18215 1 1117 . 1 1 110 110 GLU CA C 13 55.080 0.3 . 1 . . . . 110 Glu CA . 18215 1 1118 . 1 1 110 110 GLU CB C 13 31.727 0.3 . 1 . . . . 110 Glu CB . 18215 1 1119 . 1 1 110 110 GLU CG C 13 35.868 0.3 . 1 . . . . 110 Glu CG . 18215 1 1120 . 1 1 110 110 GLU N N 15 119.286 0.3 . 1 . . . . 110 Glu N . 18215 1 1121 . 1 1 111 111 SER H H 1 8.809 0.02 . 1 . . . . 111 Ser H . 18215 1 1122 . 1 1 111 111 SER HA H 1 4.489 0.02 . 1 . . . . 111 Ser HA . 18215 1 1123 . 1 1 111 111 SER HB2 H 1 3.966 0.02 . 2 . . . . 111 Ser HB2 . 18215 1 1124 . 1 1 111 111 SER HB3 H 1 3.887 0.02 . 2 . . . . 111 Ser HB3 . 18215 1 1125 . 1 1 111 111 SER C C 13 174.362 0.3 . 1 . . . . 111 Ser C . 18215 1 1126 . 1 1 111 111 SER CA C 13 59.456 0.3 . 1 . . . . 111 Ser CA . 18215 1 1127 . 1 1 111 111 SER CB C 13 63.971 0.3 . 1 . . . . 111 Ser CB . 18215 1 1128 . 1 1 111 111 SER N N 15 116.704 0.3 . 1 . . . . 111 Ser N . 18215 1 1129 . 1 1 112 112 SER H H 1 7.880 0.02 . 1 . . . . 112 Ser H . 18215 1 1130 . 1 1 112 112 SER HA H 1 4.585 0.02 . 1 . . . . 112 Ser HA . 18215 1 1131 . 1 1 112 112 SER HB2 H 1 3.881 0.02 . 2 . . . . 112 Ser HB2 . 18215 1 1132 . 1 1 112 112 SER HB3 H 1 3.821 0.02 . 2 . . . . 112 Ser HB3 . 18215 1 1133 . 1 1 112 112 SER C C 13 173.491 0.3 . 1 . . . . 112 Ser C . 18215 1 1134 . 1 1 112 112 SER CA C 13 58.839 0.3 . 1 . . . . 112 Ser CA . 18215 1 1135 . 1 1 112 112 SER CB C 13 64.032 0.3 . 1 . . . . 112 Ser CB . 18215 1 1136 . 1 1 112 112 SER N N 15 116.303 0.3 . 1 . . . . 112 Ser N . 18215 1 1137 . 1 1 113 113 LEU H H 1 9.092 0.02 . 1 . . . . 113 Leu H . 18215 1 1138 . 1 1 113 113 LEU HA H 1 4.976 0.02 . 1 . . . . 113 Leu HA . 18215 1 1139 . 1 1 113 113 LEU HB2 H 1 1.857 0.02 . 2 . . . . 113 Leu HB2 . 18215 1 1140 . 1 1 113 113 LEU HB3 H 1 1.350 0.02 . 2 . . . . 113 Leu HB3 . 18215 1 1141 . 1 1 113 113 LEU HG H 1 1.747 0.02 . 1 . . . . 113 Leu HG . 18215 1 1142 . 1 1 113 113 LEU HD11 H 1 0.808 0.02 . 2 . . . . 113 Leu HD1 . 18215 1 1143 . 1 1 113 113 LEU HD12 H 1 0.808 0.02 . 2 . . . . 113 Leu HD1 . 18215 1 1144 . 1 1 113 113 LEU HD13 H 1 0.808 0.02 . 2 . . . . 113 Leu HD1 . 18215 1 1145 . 1 1 113 113 LEU HD21 H 1 0.805 0.02 . 2 . . . . 113 Leu HD2 . 18215 1 1146 . 1 1 113 113 LEU HD22 H 1 0.805 0.02 . 2 . . . . 113 Leu HD2 . 18215 1 1147 . 1 1 113 113 LEU HD23 H 1 0.805 0.02 . 2 . . . . 113 Leu HD2 . 18215 1 1148 . 1 1 113 113 LEU C C 13 176.108 0.3 . 1 . . . . 113 Leu C . 18215 1 1149 . 1 1 113 113 LEU CA C 13 53.678 0.3 . 1 . . . . 113 Leu CA . 18215 1 1150 . 1 1 113 113 LEU CB C 13 43.958 0.3 . 1 . . . . 113 Leu CB . 18215 1 1151 . 1 1 113 113 LEU CG C 13 27.202 0.3 . 1 . . . . 113 Leu CG . 18215 1 1152 . 1 1 113 113 LEU CD1 C 13 22.846 0.3 . 2 . . . . 113 Leu CD1 . 18215 1 1153 . 1 1 113 113 LEU CD2 C 13 25.701 0.3 . 2 . . . . 113 Leu CD2 . 18215 1 1154 . 1 1 113 113 LEU N N 15 120.570 0.3 . 1 . . . . 113 Leu N . 18215 1 1155 . 1 1 114 114 PHE H H 1 9.455 0.02 . 1 . . . . 114 Phe H . 18215 1 1156 . 1 1 114 114 PHE HA H 1 5.387 0.02 . 1 . . . . 114 Phe HA . 18215 1 1157 . 1 1 114 114 PHE HB2 H 1 3.187 0.02 . 2 . . . . 114 Phe HB2 . 18215 1 1158 . 1 1 114 114 PHE HB3 H 1 2.864 0.02 . 2 . . . . 114 Phe HB3 . 18215 1 1159 . 1 1 114 114 PHE HD1 H 1 6.736 0.02 . 3 . . . . 114 Phe HD1 . 18215 1 1160 . 1 1 114 114 PHE HD2 H 1 6.736 0.02 . 3 . . . . 114 Phe HD2 . 18215 1 1161 . 1 1 114 114 PHE HE1 H 1 6.009 0.02 . 3 . . . . 114 Phe HE1 . 18215 1 1162 . 1 1 114 114 PHE HE2 H 1 6.009 0.02 . 3 . . . . 114 Phe HE2 . 18215 1 1163 . 1 1 114 114 PHE HZ H 1 6.069 0.02 . 1 . . . . 114 Phe HZ . 18215 1 1164 . 1 1 114 114 PHE C C 13 174.521 0.3 . 1 . . . . 114 Phe C . 18215 1 1165 . 1 1 114 114 PHE CA C 13 55.704 0.3 . 1 . . . . 114 Phe CA . 18215 1 1166 . 1 1 114 114 PHE CB C 13 41.755 0.3 . 1 . . . . 114 Phe CB . 18215 1 1167 . 1 1 114 114 PHE CD1 C 13 131.381 0.3 . 3 . . . . 114 Phe CD1 . 18215 1 1168 . 1 1 114 114 PHE CD2 C 13 131.381 0.3 . 3 . . . . 114 Phe CD2 . 18215 1 1169 . 1 1 114 114 PHE CE1 C 13 130.157 0.3 . 3 . . . . 114 Phe CE1 . 18215 1 1170 . 1 1 114 114 PHE CE2 C 13 130.157 0.3 . 3 . . . . 114 Phe CE2 . 18215 1 1171 . 1 1 114 114 PHE CZ C 13 128.786 0.3 . 1 . . . . 114 Phe CZ . 18215 1 1172 . 1 1 114 114 PHE N N 15 123.632 0.3 . 1 . . . . 114 Phe N . 18215 1 1173 . 1 1 115 115 VAL H H 1 8.868 0.02 . 1 . . . . 115 Val H . 18215 1 1174 . 1 1 115 115 VAL HA H 1 4.587 0.02 . 1 . . . . 115 Val HA . 18215 1 1175 . 1 1 115 115 VAL HB H 1 2.281 0.02 . 1 . . . . 115 Val HB . 18215 1 1176 . 1 1 115 115 VAL HG11 H 1 0.754 0.02 . 2 . . . . 115 Val HG1 . 18215 1 1177 . 1 1 115 115 VAL HG12 H 1 0.754 0.02 . 2 . . . . 115 Val HG1 . 18215 1 1178 . 1 1 115 115 VAL HG13 H 1 0.754 0.02 . 2 . . . . 115 Val HG1 . 18215 1 1179 . 1 1 115 115 VAL HG21 H 1 0.644 0.02 . 2 . . . . 115 Val HG2 . 18215 1 1180 . 1 1 115 115 VAL HG22 H 1 0.644 0.02 . 2 . . . . 115 Val HG2 . 18215 1 1181 . 1 1 115 115 VAL HG23 H 1 0.644 0.02 . 2 . . . . 115 Val HG2 . 18215 1 1182 . 1 1 115 115 VAL C C 13 172.702 0.3 . 1 . . . . 115 Val C . 18215 1 1183 . 1 1 115 115 VAL CA C 13 59.189 0.3 . 1 . . . . 115 Val CA . 18215 1 1184 . 1 1 115 115 VAL CB C 13 32.625 0.3 . 1 . . . . 115 Val CB . 18215 1 1185 . 1 1 115 115 VAL CG1 C 13 22.713 0.3 . 2 . . . . 115 Val CG1 . 18215 1 1186 . 1 1 115 115 VAL CG2 C 13 20.940 0.3 . 2 . . . . 115 Val CG2 . 18215 1 1187 . 1 1 115 115 VAL N N 15 126.797 0.3 . 1 . . . . 115 Val N . 18215 1 1188 . 1 1 116 116 PRO HA H 1 5.683 0.02 . 1 . . . . 116 Pro HA . 18215 1 1189 . 1 1 116 116 PRO C C 13 176.168 0.3 . 1 . . . . 116 Pro C . 18215 1 1190 . 1 1 116 116 PRO CA C 13 60.959 0.3 . 1 . . . . 116 Pro CA . 18215 1 1191 . 1 1 116 116 PRO CB C 13 30.505 0.3 . 1 . . . . 116 Pro CB . 18215 1 1192 . 1 1 117 117 PHE H H 1 10.137 0.02 . 1 . . . . 117 Phe H . 18215 1 1193 . 1 1 117 117 PHE HA H 1 5.624 0.02 . 1 . . . . 117 Phe HA . 18215 1 1194 . 1 1 117 117 PHE HB2 H 1 3.536 0.02 . 2 . . . . 117 Phe HB2 . 18215 1 1195 . 1 1 117 117 PHE HB3 H 1 3.536 0.02 . 2 . . . . 117 Phe HB3 . 18215 1 1196 . 1 1 117 117 PHE HD1 H 1 7.262 0.02 . 3 . . . . 117 Phe HD1 . 18215 1 1197 . 1 1 117 117 PHE HD2 H 1 7.262 0.02 . 3 . . . . 117 Phe HD2 . 18215 1 1198 . 1 1 117 117 PHE HE1 H 1 7.219 0.02 . 3 . . . . 117 Phe HE1 . 18215 1 1199 . 1 1 117 117 PHE HE2 H 1 7.219 0.02 . 3 . . . . 117 Phe HE2 . 18215 1 1200 . 1 1 117 117 PHE HZ H 1 7.041 0.02 . 1 . . . . 117 Phe HZ . 18215 1 1201 . 1 1 117 117 PHE C C 13 171.953 0.3 . 1 . . . . 117 Phe C . 18215 1 1202 . 1 1 117 117 PHE CA C 13 57.179 0.3 . 1 . . . . 117 Phe CA . 18215 1 1203 . 1 1 117 117 PHE CB C 13 42.447 0.3 . 1 . . . . 117 Phe CB . 18215 1 1204 . 1 1 117 117 PHE CE1 C 13 130.995 0.3 . 3 . . . . 117 Phe CE1 . 18215 1 1205 . 1 1 117 117 PHE CE2 C 13 130.995 0.3 . 3 . . . . 117 Phe CE2 . 18215 1 1206 . 1 1 117 117 PHE CZ C 13 127.921 0.3 . 1 . . . . 117 Phe CZ . 18215 1 1207 . 1 1 117 117 PHE N N 15 123.031 0.3 . 1 . . . . 117 Phe N . 18215 1 1208 . 1 1 118 118 THR H H 1 8.407 0.02 . 1 . . . . 118 Thr H . 18215 1 1209 . 1 1 118 118 THR HA H 1 4.678 0.02 . 1 . . . . 118 Thr HA . 18215 1 1210 . 1 1 118 118 THR HB H 1 4.628 0.02 . 1 . . . . 118 Thr HB . 18215 1 1211 . 1 1 118 118 THR HG21 H 1 1.234 0.02 . 1 . . . . 118 Thr HG2 . 18215 1 1212 . 1 1 118 118 THR HG22 H 1 1.234 0.02 . 1 . . . . 118 Thr HG2 . 18215 1 1213 . 1 1 118 118 THR HG23 H 1 1.234 0.02 . 1 . . . . 118 Thr HG2 . 18215 1 1214 . 1 1 118 118 THR C C 13 173.634 0.3 . 1 . . . . 118 Thr C . 18215 1 1215 . 1 1 118 118 THR CA C 13 59.906 0.3 . 1 . . . . 118 Thr CA . 18215 1 1216 . 1 1 118 118 THR CB C 13 72.509 0.3 . 1 . . . . 118 Thr CB . 18215 1 1217 . 1 1 118 118 THR CG2 C 13 22.154 0.3 . 1 . . . . 118 Thr CG2 . 18215 1 1218 . 1 1 118 118 THR N N 15 107.356 0.3 . 1 . . . . 118 Thr N . 18215 1 1219 . 1 1 119 119 ASP H H 1 9.172 0.02 . 1 . . . . 119 Asp H . 18215 1 1220 . 1 1 119 119 ASP HA H 1 5.374 0.02 . 1 . . . . 119 Asp HA . 18215 1 1221 . 1 1 119 119 ASP HB2 H 1 3.745 0.02 . 2 . . . . 119 Asp HB2 . 18215 1 1222 . 1 1 119 119 ASP HB3 H 1 3.745 0.02 . 2 . . . . 119 Asp HB3 . 18215 1 1223 . 1 1 119 119 ASP C C 13 175.809 0.3 . 1 . . . . 119 Asp C . 18215 1 1224 . 1 1 119 119 ASP CA C 13 55.160 0.3 . 1 . . . . 119 Asp CA . 18215 1 1225 . 1 1 119 119 ASP CB C 13 41.561 0.3 . 1 . . . . 119 Asp CB . 18215 1 1226 . 1 1 119 119 ASP N N 15 117.540 0.3 . 1 . . . . 119 Asp N . 18215 1 1227 . 1 1 120 120 GLU H H 1 8.725 0.02 . 1 . . . . 120 Glu H . 18215 1 1228 . 1 1 120 120 GLU HA H 1 4.340 0.02 . 1 . . . . 120 Glu HA . 18215 1 1229 . 1 1 120 120 GLU HB2 H 1 2.029 0.02 . 2 . . . . 120 Glu HB2 . 18215 1 1230 . 1 1 120 120 GLU HB3 H 1 1.496 0.02 . 2 . . . . 120 Glu HB3 . 18215 1 1231 . 1 1 120 120 GLU HG2 H 1 2.366 0.02 . 2 . . . . 120 Glu HG2 . 18215 1 1232 . 1 1 120 120 GLU HG3 H 1 2.314 0.02 . 2 . . . . 120 Glu HG3 . 18215 1 1233 . 1 1 120 120 GLU C C 13 179.457 0.3 . 1 . . . . 120 Glu C . 18215 1 1234 . 1 1 120 120 GLU CA C 13 60.416 0.3 . 1 . . . . 120 Glu CA . 18215 1 1235 . 1 1 120 120 GLU CB C 13 29.059 0.3 . 1 . . . . 120 Glu CB . 18215 1 1236 . 1 1 120 120 GLU CG C 13 36.954 0.3 . 1 . . . . 120 Glu CG . 18215 1 1237 . 1 1 120 120 GLU N N 15 121.704 0.3 . 1 . . . . 120 Glu N . 18215 1 1238 . 1 1 121 121 THR H H 1 9.359 0.02 . 1 . . . . 121 Thr H . 18215 1 1239 . 1 1 121 121 THR HA H 1 4.771 0.02 . 1 . . . . 121 Thr HA . 18215 1 1240 . 1 1 121 121 THR HB H 1 4.160 0.02 . 1 . . . . 121 Thr HB . 18215 1 1241 . 1 1 121 121 THR HG21 H 1 1.030 0.02 . 1 . . . . 121 Thr HG2 . 18215 1 1242 . 1 1 121 121 THR HG22 H 1 1.030 0.02 . 1 . . . . 121 Thr HG2 . 18215 1 1243 . 1 1 121 121 THR HG23 H 1 1.030 0.02 . 1 . . . . 121 Thr HG2 . 18215 1 1244 . 1 1 121 121 THR C C 13 176.883 0.3 . 1 . . . . 121 Thr C . 18215 1 1245 . 1 1 121 121 THR CA C 13 64.353 0.3 . 1 . . . . 121 Thr CA . 18215 1 1246 . 1 1 121 121 THR CB C 13 68.496 0.3 . 1 . . . . 121 Thr CB . 18215 1 1247 . 1 1 121 121 THR CG2 C 13 20.838 0.3 . 1 . . . . 121 Thr CG2 . 18215 1 1248 . 1 1 121 121 THR N N 15 109.799 0.3 . 1 . . . . 121 Thr N . 18215 1 1249 . 1 1 122 122 THR H H 1 7.409 0.02 . 1 . . . . 122 Thr H . 18215 1 1250 . 1 1 122 122 THR HA H 1 3.609 0.02 . 1 . . . . 122 Thr HA . 18215 1 1251 . 1 1 122 122 THR HB H 1 4.372 0.02 . 1 . . . . 122 Thr HB . 18215 1 1252 . 1 1 122 122 THR HG21 H 1 1.217 0.02 . 1 . . . . 122 Thr HG2 . 18215 1 1253 . 1 1 122 122 THR HG22 H 1 1.217 0.02 . 1 . . . . 122 Thr HG2 . 18215 1 1254 . 1 1 122 122 THR HG23 H 1 1.217 0.02 . 1 . . . . 122 Thr HG2 . 18215 1 1255 . 1 1 122 122 THR C C 13 178.055 0.3 . 1 . . . . 122 Thr C . 18215 1 1256 . 1 1 122 122 THR CA C 13 65.389 0.3 . 1 . . . . 122 Thr CA . 18215 1 1257 . 1 1 122 122 THR CB C 13 68.907 0.3 . 1 . . . . 122 Thr CB . 18215 1 1258 . 1 1 122 122 THR CG2 C 13 22.863 0.3 . 1 . . . . 122 Thr CG2 . 18215 1 1259 . 1 1 122 122 THR N N 15 121.600 0.3 . 1 . . . . 122 Thr N . 18215 1 1260 . 1 1 123 123 ASP H H 1 6.942 0.02 . 1 . . . . 123 Asp H . 18215 1 1261 . 1 1 123 123 ASP HA H 1 4.420 0.02 . 1 . . . . 123 Asp HA . 18215 1 1262 . 1 1 123 123 ASP HB2 H 1 2.769 0.02 . 2 . . . . 123 Asp HB2 . 18215 1 1263 . 1 1 123 123 ASP HB3 H 1 2.769 0.02 . 2 . . . . 123 Asp HB3 . 18215 1 1264 . 1 1 123 123 ASP C C 13 177.569 0.3 . 1 . . . . 123 Asp C . 18215 1 1265 . 1 1 123 123 ASP CA C 13 56.639 0.3 . 1 . . . . 123 Asp CA . 18215 1 1266 . 1 1 123 123 ASP CB C 13 40.886 0.3 . 1 . . . . 123 Asp CB . 18215 1 1267 . 1 1 123 123 ASP N N 15 119.789 0.3 . 1 . . . . 123 Asp N . 18215 1 1268 . 1 1 124 124 ASP H H 1 7.979 0.02 . 1 . . . . 124 Asp H . 18215 1 1269 . 1 1 124 124 ASP HA H 1 4.640 0.02 . 1 . . . . 124 Asp HA . 18215 1 1270 . 1 1 124 124 ASP C C 13 177.524 0.3 . 1 . . . . 124 Asp C . 18215 1 1271 . 1 1 124 124 ASP CA C 13 53.298 0.3 . 1 . . . . 124 Asp CA . 18215 1 1272 . 1 1 124 124 ASP CB C 13 40.100 0.3 . 1 . . . . 124 Asp CB . 18215 1 1273 . 1 1 124 124 ASP N N 15 116.399 0.3 . 1 . . . . 124 Asp N . 18215 1 1274 . 1 1 125 125 GLY H H 1 7.284 0.02 . 1 . . . . 125 Gly H . 18215 1 1275 . 1 1 125 125 GLY HA2 H 1 4.138 0.02 . 2 . . . . 125 Gly HA2 . 18215 1 1276 . 1 1 125 125 GLY HA3 H 1 4.138 0.02 . 2 . . . . 125 Gly HA3 . 18215 1 1277 . 1 1 125 125 GLY C C 13 174.996 0.3 . 1 . . . . 125 Gly C . 18215 1 1278 . 1 1 125 125 GLY CA C 13 45.403 0.3 . 1 . . . . 125 Gly CA . 18215 1 1279 . 1 1 125 125 GLY N N 15 106.643 0.3 . 1 . . . . 125 Gly N . 18215 1 1280 . 1 1 126 126 ARG H H 1 8.482 0.02 . 1 . . . . 126 Arg H . 18215 1 1281 . 1 1 126 126 ARG HA H 1 4.282 0.02 . 1 . . . . 126 Arg HA . 18215 1 1282 . 1 1 126 126 ARG C C 13 177.392 0.3 . 1 . . . . 126 Arg C . 18215 1 1283 . 1 1 126 126 ARG CA C 13 58.896 0.3 . 1 . . . . 126 Arg CA . 18215 1 1284 . 1 1 126 126 ARG CB C 13 33.290 0.3 . 1 . . . . 126 Arg CB . 18215 1 1285 . 1 1 126 126 ARG CG C 13 27.033 0.3 . 1 . . . . 126 Arg CG . 18215 1 1286 . 1 1 126 126 ARG CD C 13 40.381 0.3 . 1 . . . . 126 Arg CD . 18215 1 1287 . 1 1 126 126 ARG N N 15 119.296 0.3 . 1 . . . . 126 Arg N . 18215 1 1288 . 1 1 127 127 THR H H 1 7.664 0.02 . 1 . . . . 127 Thr H . 18215 1 1289 . 1 1 127 127 THR HA H 1 4.511 0.02 . 1 . . . . 127 Thr HA . 18215 1 1290 . 1 1 127 127 THR HB H 1 4.332 0.02 . 1 . . . . 127 Thr HB . 18215 1 1291 . 1 1 127 127 THR HG21 H 1 1.443 0.02 . 1 . . . . 127 Thr HG2 . 18215 1 1292 . 1 1 127 127 THR HG22 H 1 1.443 0.02 . 1 . . . . 127 Thr HG2 . 18215 1 1293 . 1 1 127 127 THR HG23 H 1 1.443 0.02 . 1 . . . . 127 Thr HG2 . 18215 1 1294 . 1 1 127 127 THR C C 13 172.693 0.3 . 1 . . . . 127 Thr C . 18215 1 1295 . 1 1 127 127 THR CA C 13 59.491 0.3 . 1 . . . . 127 Thr CA . 18215 1 1296 . 1 1 127 127 THR CB C 13 70.859 0.3 . 1 . . . . 127 Thr CB . 18215 1 1297 . 1 1 127 127 THR CG2 C 13 21.385 0.3 . 1 . . . . 127 Thr CG2 . 18215 1 1298 . 1 1 127 127 THR N N 15 106.637 0.3 . 1 . . . . 127 Thr N . 18215 1 1299 . 1 1 128 128 TYR HB2 H 1 2.883 0.02 . 2 . . . . 128 Tyr HB2 . 18215 1 1300 . 1 1 128 128 TYR HB3 H 1 2.710 0.02 . 2 . . . . 128 Tyr HB3 . 18215 1 1301 . 1 1 128 128 TYR C C 13 178.239 0.3 . 1 . . . . 128 Tyr C . 18215 1 1302 . 1 1 128 128 TYR CB C 13 37.413 0.3 . 1 . . . . 128 Tyr CB . 18215 1 1303 . 1 1 129 129 GLU H H 1 8.379 0.02 . 1 . . . . 129 Glu H . 18215 1 1304 . 1 1 129 129 GLU HA H 1 4.145 0.02 . 1 . . . . 129 Glu HA . 18215 1 1305 . 1 1 129 129 GLU HB2 H 1 1.697 0.02 . 2 . . . . 129 Glu HB2 . 18215 1 1306 . 1 1 129 129 GLU HB3 H 1 1.562 0.02 . 2 . . . . 129 Glu HB3 . 18215 1 1307 . 1 1 129 129 GLU HG2 H 1 1.135 0.02 . 2 . . . . 129 Glu HG2 . 18215 1 1308 . 1 1 129 129 GLU HG3 H 1 0.796 0.02 . 2 . . . . 129 Glu HG3 . 18215 1 1309 . 1 1 129 129 GLU CA C 13 59.132 0.3 . 1 . . . . 129 Glu CA . 18215 1 1310 . 1 1 129 129 GLU CB C 13 29.301 0.3 . 1 . . . . 129 Glu CB . 18215 1 1311 . 1 1 129 129 GLU CG C 13 33.775 0.3 . 1 . . . . 129 Glu CG . 18215 1 1312 . 1 1 129 129 GLU N N 15 126.754 0.3 . 1 . . . . 129 Glu N . 18215 1 1313 . 1 1 130 130 HIS HA H 1 4.827 0.02 . 1 . . . . 130 His HA . 18215 1 1314 . 1 1 130 130 HIS HB2 H 1 3.304 0.02 . 2 . . . . 130 His HB2 . 18215 1 1315 . 1 1 130 130 HIS HB3 H 1 2.547 0.02 . 2 . . . . 130 His HB3 . 18215 1 1316 . 1 1 130 130 HIS C C 13 173.956 0.3 . 1 . . . . 130 His C . 18215 1 1317 . 1 1 130 130 HIS CA C 13 55.173 0.3 . 1 . . . . 130 His CA . 18215 1 1318 . 1 1 130 130 HIS CB C 13 30.279 0.3 . 1 . . . . 130 His CB . 18215 1 1319 . 1 1 131 131 GLY H H 1 7.454 0.02 . 1 . . . . 131 Gly H . 18215 1 1320 . 1 1 131 131 GLY HA2 H 1 4.523 0.02 . 2 . . . . 131 Gly HA2 . 18215 1 1321 . 1 1 131 131 GLY HA3 H 1 3.631 0.02 . 2 . . . . 131 Gly HA3 . 18215 1 1322 . 1 1 131 131 GLY C C 13 170.087 0.3 . 1 . . . . 131 Gly C . 18215 1 1323 . 1 1 131 131 GLY CA C 13 43.981 0.3 . 1 . . . . 131 Gly CA . 18215 1 1324 . 1 1 131 131 GLY N N 15 106.674 0.3 . 1 . . . . 131 Gly N . 18215 1 1325 . 1 1 132 132 ARG H H 1 7.966 0.02 . 1 . . . . 132 Arg H . 18215 1 1326 . 1 1 132 132 ARG HA H 1 4.540 0.02 . 1 . . . . 132 Arg HA . 18215 1 1327 . 1 1 132 132 ARG C C 13 173.472 0.3 . 1 . . . . 132 Arg C . 18215 1 1328 . 1 1 132 132 ARG CA C 13 54.226 0.3 . 1 . . . . 132 Arg CA . 18215 1 1329 . 1 1 132 132 ARG CB C 13 38.115 0.3 . 1 . . . . 132 Arg CB . 18215 1 1330 . 1 1 132 132 ARG N N 15 110.993 0.3 . 1 . . . . 132 Arg N . 18215 1 1331 . 1 1 133 133 TYR H H 1 8.948 0.02 . 1 . . . . 133 Tyr H . 18215 1 1332 . 1 1 133 133 TYR HA H 1 5.358 0.02 . 1 . . . . 133 Tyr HA . 18215 1 1333 . 1 1 133 133 TYR HB2 H 1 2.549 0.02 . 2 . . . . 133 Tyr HB2 . 18215 1 1334 . 1 1 133 133 TYR HB3 H 1 1.673 0.02 . 2 . . . . 133 Tyr HB3 . 18215 1 1335 . 1 1 133 133 TYR HD1 H 1 7.035 0.02 . 3 . . . . 133 Tyr HD1 . 18215 1 1336 . 1 1 133 133 TYR HD2 H 1 7.035 0.02 . 3 . . . . 133 Tyr HD2 . 18215 1 1337 . 1 1 133 133 TYR HE1 H 1 6.841 0.02 . 3 . . . . 133 Tyr HE1 . 18215 1 1338 . 1 1 133 133 TYR HE2 H 1 6.841 0.02 . 3 . . . . 133 Tyr HE2 . 18215 1 1339 . 1 1 133 133 TYR C C 13 175.115 0.3 . 1 . . . . 133 Tyr C . 18215 1 1340 . 1 1 133 133 TYR CA C 13 52.525 0.3 . 1 . . . . 133 Tyr CA . 18215 1 1341 . 1 1 133 133 TYR CB C 13 39.982 0.3 . 1 . . . . 133 Tyr CB . 18215 1 1342 . 1 1 133 133 TYR CD1 C 13 130.599 0.3 . 3 . . . . 133 Tyr CD1 . 18215 1 1343 . 1 1 133 133 TYR CD2 C 13 130.599 0.3 . 3 . . . . 133 Tyr CD2 . 18215 1 1344 . 1 1 133 133 TYR CE1 C 13 117.588 0.3 . 3 . . . . 133 Tyr CE1 . 18215 1 1345 . 1 1 133 133 TYR CE2 C 13 117.588 0.3 . 3 . . . . 133 Tyr CE2 . 18215 1 1346 . 1 1 133 133 TYR N N 15 117.573 0.3 . 1 . . . . 133 Tyr N . 18215 1 1347 . 1 1 134 134 LEU H H 1 7.613 0.02 . 1 . . . . 134 Leu H . 18215 1 1348 . 1 1 134 134 LEU HA H 1 4.690 0.02 . 1 . . . . 134 Leu HA . 18215 1 1349 . 1 1 134 134 LEU HB2 H 1 1.539 0.02 . 2 . . . . 134 Leu HB2 . 18215 1 1350 . 1 1 134 134 LEU HB3 H 1 1.453 0.02 . 2 . . . . 134 Leu HB3 . 18215 1 1351 . 1 1 134 134 LEU HG H 1 1.415 0.02 . 1 . . . . 134 Leu HG . 18215 1 1352 . 1 1 134 134 LEU HD11 H 1 0.445 0.02 . 2 . . . . 134 Leu HD1 . 18215 1 1353 . 1 1 134 134 LEU HD12 H 1 0.445 0.02 . 2 . . . . 134 Leu HD1 . 18215 1 1354 . 1 1 134 134 LEU HD13 H 1 0.445 0.02 . 2 . . . . 134 Leu HD1 . 18215 1 1355 . 1 1 134 134 LEU HD21 H 1 0.251 0.02 . 2 . . . . 134 Leu HD2 . 18215 1 1356 . 1 1 134 134 LEU HD22 H 1 0.251 0.02 . 2 . . . . 134 Leu HD2 . 18215 1 1357 . 1 1 134 134 LEU HD23 H 1 0.251 0.02 . 2 . . . . 134 Leu HD2 . 18215 1 1358 . 1 1 134 134 LEU C C 13 174.706 0.3 . 1 . . . . 134 Leu C . 18215 1 1359 . 1 1 134 134 LEU CA C 13 54.093 0.3 . 1 . . . . 134 Leu CA . 18215 1 1360 . 1 1 134 134 LEU CB C 13 47.210 0.3 . 1 . . . . 134 Leu CB . 18215 1 1361 . 1 1 134 134 LEU CD1 C 13 25.467 0.3 . 2 . . . . 134 Leu CD1 . 18215 1 1362 . 1 1 134 134 LEU CD2 C 13 26.157 0.3 . 2 . . . . 134 Leu CD2 . 18215 1 1363 . 1 1 134 134 LEU N N 15 118.625 0.3 . 1 . . . . 134 Leu N . 18215 1 1364 . 1 1 135 135 ASP H H 1 8.484 0.02 . 1 . . . . 135 Asp H . 18215 1 1365 . 1 1 135 135 ASP HA H 1 5.559 0.02 . 1 . . . . 135 Asp HA . 18215 1 1366 . 1 1 135 135 ASP HB2 H 1 2.664 0.02 . 2 . . . . 135 Asp HB2 . 18215 1 1367 . 1 1 135 135 ASP HB3 H 1 2.664 0.02 . 2 . . . . 135 Asp HB3 . 18215 1 1368 . 1 1 135 135 ASP C C 13 176.027 0.3 . 1 . . . . 135 Asp C . 18215 1 1369 . 1 1 135 135 ASP CA C 13 53.280 0.3 . 1 . . . . 135 Asp CA . 18215 1 1370 . 1 1 135 135 ASP CB C 13 41.535 0.3 . 1 . . . . 135 Asp CB . 18215 1 1371 . 1 1 135 135 ASP N N 15 123.833 0.3 . 1 . . . . 135 Asp N . 18215 1 1372 . 1 1 136 136 VAL H H 1 8.681 0.02 . 1 . . . . 136 Val H . 18215 1 1373 . 1 1 136 136 VAL HA H 1 4.312 0.02 . 1 . . . . 136 Val HA . 18215 1 1374 . 1 1 136 136 VAL HB H 1 1.638 0.02 . 1 . . . . 136 Val HB . 18215 1 1375 . 1 1 136 136 VAL HG11 H 1 0.638 0.02 . 2 . . . . 136 Val HG1 . 18215 1 1376 . 1 1 136 136 VAL HG12 H 1 0.638 0.02 . 2 . . . . 136 Val HG1 . 18215 1 1377 . 1 1 136 136 VAL HG13 H 1 0.638 0.02 . 2 . . . . 136 Val HG1 . 18215 1 1378 . 1 1 136 136 VAL HG21 H 1 0.622 0.02 . 2 . . . . 136 Val HG2 . 18215 1 1379 . 1 1 136 136 VAL HG22 H 1 0.622 0.02 . 2 . . . . 136 Val HG2 . 18215 1 1380 . 1 1 136 136 VAL HG23 H 1 0.622 0.02 . 2 . . . . 136 Val HG2 . 18215 1 1381 . 1 1 136 136 VAL C C 13 173.714 0.3 . 1 . . . . 136 Val C . 18215 1 1382 . 1 1 136 136 VAL CA C 13 60.990 0.3 . 1 . . . . 136 Val CA . 18215 1 1383 . 1 1 136 136 VAL CB C 13 35.483 0.3 . 1 . . . . 136 Val CB . 18215 1 1384 . 1 1 136 136 VAL CG1 C 13 22.067 0.3 . 2 . . . . 136 Val CG1 . 18215 1 1385 . 1 1 136 136 VAL CG2 C 13 20.111 0.3 . 2 . . . . 136 Val CG2 . 18215 1 1386 . 1 1 136 136 VAL N N 15 123.027 0.3 . 1 . . . . 136 Val N . 18215 1 1387 . 1 1 137 137 ASP H H 1 8.867 0.02 . 1 . . . . 137 Asp H . 18215 1 1388 . 1 1 137 137 ASP HA H 1 5.108 0.02 . 1 . . . . 137 Asp HA . 18215 1 1389 . 1 1 137 137 ASP HB2 H 1 2.867 0.02 . 2 . . . . 137 Asp HB2 . 18215 1 1390 . 1 1 137 137 ASP HB3 H 1 2.544 0.02 . 2 . . . . 137 Asp HB3 . 18215 1 1391 . 1 1 137 137 ASP C C 13 173.783 0.3 . 1 . . . . 137 Asp C . 18215 1 1392 . 1 1 137 137 ASP CA C 13 50.508 0.3 . 1 . . . . 137 Asp CA . 18215 1 1393 . 1 1 137 137 ASP CB C 13 41.596 0.3 . 1 . . . . 137 Asp CB . 18215 1 1394 . 1 1 137 137 ASP N N 15 128.445 0.3 . 1 . . . . 137 Asp N . 18215 1 1395 . 1 1 138 138 PRO HA H 1 4.007 0.02 . 1 . . . . 138 Pro HA . 18215 1 1396 . 1 1 138 138 PRO HB2 H 1 1.795 0.02 . 2 . . . . 138 Pro HB2 . 18215 1 1397 . 1 1 138 138 PRO HB3 H 1 1.470 0.02 . 2 . . . . 138 Pro HB3 . 18215 1 1398 . 1 1 138 138 PRO HD2 H 1 4.057 0.02 . 2 . . . . 138 Pro HD2 . 18215 1 1399 . 1 1 138 138 PRO HD3 H 1 3.988 0.02 . 2 . . . . 138 Pro HD3 . 18215 1 1400 . 1 1 138 138 PRO C C 13 176.260 0.3 . 1 . . . . 138 Pro C . 18215 1 1401 . 1 1 138 138 PRO CA C 13 63.139 0.3 . 1 . . . . 138 Pro CA . 18215 1 1402 . 1 1 138 138 PRO CB C 13 31.562 0.3 . 1 . . . . 138 Pro CB . 18215 1 1403 . 1 1 138 138 PRO CG C 13 26.821 0.3 . 1 . . . . 138 Pro CG . 18215 1 1404 . 1 1 138 138 PRO CD C 13 50.669 0.3 . 1 . . . . 138 Pro CD . 18215 1 1405 . 1 1 139 139 ALA H H 1 7.946 0.02 . 1 . . . . 139 Ala H . 18215 1 1406 . 1 1 139 139 ALA HA H 1 3.968 0.02 . 1 . . . . 139 Ala HA . 18215 1 1407 . 1 1 139 139 ALA HB1 H 1 1.228 0.02 . 1 . . . . 139 Ala HB . 18215 1 1408 . 1 1 139 139 ALA HB2 H 1 1.228 0.02 . 1 . . . . 139 Ala HB . 18215 1 1409 . 1 1 139 139 ALA HB3 H 1 1.228 0.02 . 1 . . . . 139 Ala HB . 18215 1 1410 . 1 1 139 139 ALA C C 13 177.990 0.3 . 1 . . . . 139 Ala C . 18215 1 1411 . 1 1 139 139 ALA CA C 13 53.420 0.3 . 1 . . . . 139 Ala CA . 18215 1 1412 . 1 1 139 139 ALA CB C 13 17.762 0.3 . 1 . . . . 139 Ala CB . 18215 1 1413 . 1 1 139 139 ALA N N 15 122.462 0.3 . 1 . . . . 139 Ala N . 18215 1 1414 . 1 1 140 140 GLY H H 1 8.371 0.02 . 1 . . . . 140 Gly H . 18215 1 1415 . 1 1 140 140 GLY HA2 H 1 3.941 0.02 . 2 . . . . 140 Gly HA2 . 18215 1 1416 . 1 1 140 140 GLY HA3 H 1 3.836 0.02 . 2 . . . . 140 Gly HA3 . 18215 1 1417 . 1 1 140 140 GLY C C 13 174.449 0.3 . 1 . . . . 140 Gly C . 18215 1 1418 . 1 1 140 140 GLY CA C 13 45.392 0.3 . 1 . . . . 140 Gly CA . 18215 1 1419 . 1 1 140 140 GLY N N 15 107.687 0.3 . 1 . . . . 140 Gly N . 18215 1 1420 . 1 1 141 141 ALA H H 1 7.774 0.02 . 1 . . . . 141 Ala H . 18215 1 1421 . 1 1 141 141 ALA HA H 1 4.249 0.02 . 1 . . . . 141 Ala HA . 18215 1 1422 . 1 1 141 141 ALA HB1 H 1 1.122 0.02 . 1 . . . . 141 Ala HB . 18215 1 1423 . 1 1 141 141 ALA HB2 H 1 1.122 0.02 . 1 . . . . 141 Ala HB . 18215 1 1424 . 1 1 141 141 ALA HB3 H 1 1.122 0.02 . 1 . . . . 141 Ala HB . 18215 1 1425 . 1 1 141 141 ALA C C 13 177.168 0.3 . 1 . . . . 141 Ala C . 18215 1 1426 . 1 1 141 141 ALA CA C 13 52.951 0.3 . 1 . . . . 141 Ala CA . 18215 1 1427 . 1 1 141 141 ALA CB C 13 19.354 0.3 . 1 . . . . 141 Ala CB . 18215 1 1428 . 1 1 141 141 ALA N N 15 123.161 0.3 . 1 . . . . 141 Ala N . 18215 1 1429 . 1 1 142 142 ASP H H 1 8.858 0.02 . 1 . . . . 142 Asp H . 18215 1 1430 . 1 1 142 142 ASP HB2 H 1 2.767 0.02 . 2 . . . . 142 Asp HB2 . 18215 1 1431 . 1 1 142 142 ASP HB3 H 1 2.629 0.02 . 2 . . . . 142 Asp HB3 . 18215 1 1432 . 1 1 142 142 ASP C C 13 176.769 0.3 . 1 . . . . 142 Asp C . 18215 1 1433 . 1 1 142 142 ASP CA C 13 52.965 0.3 . 1 . . . . 142 Asp CA . 18215 1 1434 . 1 1 142 142 ASP CB C 13 42.438 0.3 . 1 . . . . 142 Asp CB . 18215 1 1435 . 1 1 142 142 ASP N N 15 121.031 0.3 . 1 . . . . 142 Asp N . 18215 1 1436 . 1 1 143 143 GLY H H 1 8.603 0.02 . 1 . . . . 143 Gly H . 18215 1 1437 . 1 1 143 143 GLY HA2 H 1 3.930 0.02 . 2 . . . . 143 Gly HA2 . 18215 1 1438 . 1 1 143 143 GLY HA3 H 1 3.889 0.02 . 2 . . . . 143 Gly HA3 . 18215 1 1439 . 1 1 143 143 GLY C C 13 175.170 0.3 . 1 . . . . 143 Gly C . 18215 1 1440 . 1 1 143 143 GLY CA C 13 46.822 0.3 . 1 . . . . 143 Gly CA . 18215 1 1441 . 1 1 143 143 GLY N N 15 106.678 0.3 . 1 . . . . 143 Gly N . 18215 1 1442 . 1 1 144 144 GLY H H 1 8.852 0.02 . 1 . . . . 144 Gly H . 18215 1 1443 . 1 1 144 144 GLY HA2 H 1 4.310 0.02 . 2 . . . . 144 Gly HA2 . 18215 1 1444 . 1 1 144 144 GLY HA3 H 1 3.742 0.02 . 2 . . . . 144 Gly HA3 . 18215 1 1445 . 1 1 144 144 GLY C C 13 174.074 0.3 . 1 . . . . 144 Gly C . 18215 1 1446 . 1 1 144 144 GLY CA C 13 45.324 0.3 . 1 . . . . 144 Gly CA . 18215 1 1447 . 1 1 144 144 GLY N N 15 112.908 0.3 . 1 . . . . 144 Gly N . 18215 1 1448 . 1 1 145 145 ASP H H 1 8.252 0.02 . 1 . . . . 145 Asp H . 18215 1 1449 . 1 1 145 145 ASP HA H 1 4.811 0.02 . 1 . . . . 145 Asp HA . 18215 1 1450 . 1 1 145 145 ASP HB2 H 1 3.069 0.02 . 2 . . . . 145 Asp HB2 . 18215 1 1451 . 1 1 145 145 ASP HB3 H 1 2.836 0.02 . 2 . . . . 145 Asp HB3 . 18215 1 1452 . 1 1 145 145 ASP C C 13 175.135 0.3 . 1 . . . . 145 Asp C . 18215 1 1453 . 1 1 145 145 ASP CA C 13 54.243 0.3 . 1 . . . . 145 Asp CA . 18215 1 1454 . 1 1 145 145 ASP CB C 13 41.898 0.3 . 1 . . . . 145 Asp CB . 18215 1 1455 . 1 1 145 145 ASP N N 15 120.477 0.3 . 1 . . . . 145 Asp N . 18215 1 1456 . 1 1 146 146 GLU H H 1 8.209 0.02 . 1 . . . . 146 Glu H . 18215 1 1457 . 1 1 146 146 GLU HA H 1 5.246 0.02 . 1 . . . . 146 Glu HA . 18215 1 1458 . 1 1 146 146 GLU HB2 H 1 1.905 0.02 . 2 . . . . 146 Glu HB2 . 18215 1 1459 . 1 1 146 146 GLU HB3 H 1 1.760 0.02 . 2 . . . . 146 Glu HB3 . 18215 1 1460 . 1 1 146 146 GLU HG2 H 1 2.283 0.02 . 2 . . . . 146 Glu HG2 . 18215 1 1461 . 1 1 146 146 GLU HG3 H 1 1.978 0.02 . 2 . . . . 146 Glu HG3 . 18215 1 1462 . 1 1 146 146 GLU C C 13 176.524 0.3 . 1 . . . . 146 Glu C . 18215 1 1463 . 1 1 146 146 GLU CA C 13 55.399 0.3 . 1 . . . . 146 Glu CA . 18215 1 1464 . 1 1 146 146 GLU CB C 13 32.179 0.3 . 1 . . . . 146 Glu CB . 18215 1 1465 . 1 1 146 146 GLU CG C 13 37.155 0.3 . 1 . . . . 146 Glu CG . 18215 1 1466 . 1 1 146 146 GLU N N 15 117.755 0.3 . 1 . . . . 146 Glu N . 18215 1 1467 . 1 1 147 147 VAL H H 1 9.127 0.02 . 1 . . . . 147 Val H . 18215 1 1468 . 1 1 147 147 VAL HA H 1 4.405 0.02 . 1 . . . . 147 Val HA . 18215 1 1469 . 1 1 147 147 VAL HB H 1 1.839 0.02 . 1 . . . . 147 Val HB . 18215 1 1470 . 1 1 147 147 VAL HG11 H 1 0.554 0.02 . 2 . . . . 147 Val HG1 . 18215 1 1471 . 1 1 147 147 VAL HG12 H 1 0.554 0.02 . 2 . . . . 147 Val HG1 . 18215 1 1472 . 1 1 147 147 VAL HG13 H 1 0.554 0.02 . 2 . . . . 147 Val HG1 . 18215 1 1473 . 1 1 147 147 VAL HG21 H 1 0.559 0.02 . 2 . . . . 147 Val HG2 . 18215 1 1474 . 1 1 147 147 VAL HG22 H 1 0.559 0.02 . 2 . . . . 147 Val HG2 . 18215 1 1475 . 1 1 147 147 VAL HG23 H 1 0.559 0.02 . 2 . . . . 147 Val HG2 . 18215 1 1476 . 1 1 147 147 VAL C C 13 173.895 0.3 . 1 . . . . 147 Val C . 18215 1 1477 . 1 1 147 147 VAL CA C 13 59.082 0.3 . 1 . . . . 147 Val CA . 18215 1 1478 . 1 1 147 147 VAL CB C 13 35.150 0.3 . 1 . . . . 147 Val CB . 18215 1 1479 . 1 1 147 147 VAL CG1 C 13 21.453 0.3 . 2 . . . . 147 Val CG1 . 18215 1 1480 . 1 1 147 147 VAL CG2 C 13 19.805 0.3 . 2 . . . . 147 Val CG2 . 18215 1 1481 . 1 1 147 147 VAL N N 15 117.908 0.3 . 1 . . . . 147 Val N . 18215 1 1482 . 1 1 148 148 ALA H H 1 8.435 0.02 . 1 . . . . 148 Ala H . 18215 1 1483 . 1 1 148 148 ALA HA H 1 4.429 0.02 . 1 . . . . 148 Ala HA . 18215 1 1484 . 1 1 148 148 ALA HB1 H 1 1.198 0.02 . 1 . . . . 148 Ala HB . 18215 1 1485 . 1 1 148 148 ALA HB2 H 1 1.198 0.02 . 1 . . . . 148 Ala HB . 18215 1 1486 . 1 1 148 148 ALA HB3 H 1 1.198 0.02 . 1 . . . . 148 Ala HB . 18215 1 1487 . 1 1 148 148 ALA C C 13 176.061 0.3 . 1 . . . . 148 Ala C . 18215 1 1488 . 1 1 148 148 ALA CA C 13 52.372 0.3 . 1 . . . . 148 Ala CA . 18215 1 1489 . 1 1 148 148 ALA CB C 13 18.917 0.3 . 1 . . . . 148 Ala CB . 18215 1 1490 . 1 1 148 148 ALA N N 15 125.707 0.3 . 1 . . . . 148 Ala N . 18215 1 1491 . 1 1 149 149 LEU H H 1 8.727 0.02 . 1 . . . . 149 Leu H . 18215 1 1492 . 1 1 149 149 LEU HA H 1 4.121 0.02 . 1 . . . . 149 Leu HA . 18215 1 1493 . 1 1 149 149 LEU HB2 H 1 1.045 0.02 . 2 . . . . 149 Leu HB2 . 18215 1 1494 . 1 1 149 149 LEU HB3 H 1 0.734 0.02 . 2 . . . . 149 Leu HB3 . 18215 1 1495 . 1 1 149 149 LEU HG H 1 0.542 0.02 . 1 . . . . 149 Leu HG . 18215 1 1496 . 1 1 149 149 LEU HD11 H 1 0.071 0.02 . 2 . . . . 149 Leu HD1 . 18215 1 1497 . 1 1 149 149 LEU HD12 H 1 0.071 0.02 . 2 . . . . 149 Leu HD1 . 18215 1 1498 . 1 1 149 149 LEU HD13 H 1 0.071 0.02 . 2 . . . . 149 Leu HD1 . 18215 1 1499 . 1 1 149 149 LEU HD21 H 1 -0.150 0.02 . 2 . . . . 149 Leu HD2 . 18215 1 1500 . 1 1 149 149 LEU HD22 H 1 -0.150 0.02 . 2 . . . . 149 Leu HD2 . 18215 1 1501 . 1 1 149 149 LEU HD23 H 1 -0.150 0.02 . 2 . . . . 149 Leu HD2 . 18215 1 1502 . 1 1 149 149 LEU C C 13 173.138 0.3 . 1 . . . . 149 Leu C . 18215 1 1503 . 1 1 149 149 LEU CA C 13 53.331 0.3 . 1 . . . . 149 Leu CA . 18215 1 1504 . 1 1 149 149 LEU CB C 13 42.902 0.3 . 1 . . . . 149 Leu CB . 18215 1 1505 . 1 1 149 149 LEU CG C 13 25.741 0.3 . 1 . . . . 149 Leu CG . 18215 1 1506 . 1 1 149 149 LEU CD1 C 13 25.461 0.3 . 2 . . . . 149 Leu CD1 . 18215 1 1507 . 1 1 149 149 LEU CD2 C 13 25.705 0.3 . 2 . . . . 149 Leu CD2 . 18215 1 1508 . 1 1 149 149 LEU N N 15 127.043 0.3 . 1 . . . . 149 Leu N . 18215 1 1509 . 1 1 150 150 ASP H H 1 8.450 0.02 . 1 . . . . 150 Asp H . 18215 1 1510 . 1 1 150 150 ASP HA H 1 5.291 0.02 . 1 . . . . 150 Asp HA . 18215 1 1511 . 1 1 150 150 ASP HB2 H 1 3.192 0.02 . 2 . . . . 150 Asp HB2 . 18215 1 1512 . 1 1 150 150 ASP HB3 H 1 2.208 0.02 . 2 . . . . 150 Asp HB3 . 18215 1 1513 . 1 1 150 150 ASP C C 13 177.341 0.3 . 1 . . . . 150 Asp C . 18215 1 1514 . 1 1 150 150 ASP CA C 13 51.782 0.3 . 1 . . . . 150 Asp CA . 18215 1 1515 . 1 1 150 150 ASP CB C 13 41.238 0.3 . 1 . . . . 150 Asp CB . 18215 1 1516 . 1 1 150 150 ASP N N 15 122.009 0.3 . 1 . . . . 150 Asp N . 18215 1 1517 . 1 1 151 151 PHE H H 1 8.630 0.02 . 1 . . . . 151 Phe H . 18215 1 1518 . 1 1 151 151 PHE HA H 1 4.048 0.02 . 1 . . . . 151 Phe HA . 18215 1 1519 . 1 1 151 151 PHE HB2 H 1 2.980 0.02 . 2 . . . . 151 Phe HB2 . 18215 1 1520 . 1 1 151 151 PHE HB3 H 1 2.963 0.02 . 2 . . . . 151 Phe HB3 . 18215 1 1521 . 1 1 151 151 PHE HD1 H 1 7.098 0.02 . 3 . . . . 151 Phe HD1 . 18215 1 1522 . 1 1 151 151 PHE HD2 H 1 7.098 0.02 . 3 . . . . 151 Phe HD2 . 18215 1 1523 . 1 1 151 151 PHE HE1 H 1 5.927 0.02 . 3 . . . . 151 Phe HE1 . 18215 1 1524 . 1 1 151 151 PHE HE2 H 1 5.927 0.02 . 3 . . . . 151 Phe HE2 . 18215 1 1525 . 1 1 151 151 PHE HZ H 1 6.148 0.02 . 1 . . . . 151 Phe HZ . 18215 1 1526 . 1 1 151 151 PHE C C 13 177.214 0.3 . 1 . . . . 151 Phe C . 18215 1 1527 . 1 1 151 151 PHE CA C 13 62.238 0.3 . 1 . . . . 151 Phe CA . 18215 1 1528 . 1 1 151 151 PHE CB C 13 38.818 0.3 . 1 . . . . 151 Phe CB . 18215 1 1529 . 1 1 151 151 PHE CD1 C 13 131.497 0.3 . 3 . . . . 151 Phe CD1 . 18215 1 1530 . 1 1 151 151 PHE CD2 C 13 131.497 0.3 . 3 . . . . 151 Phe CD2 . 18215 1 1531 . 1 1 151 151 PHE CE1 C 13 130.501 0.3 . 3 . . . . 151 Phe CE1 . 18215 1 1532 . 1 1 151 151 PHE CE2 C 13 130.501 0.3 . 3 . . . . 151 Phe CE2 . 18215 1 1533 . 1 1 151 151 PHE CZ C 13 128.551 0.3 . 1 . . . . 151 Phe CZ . 18215 1 1534 . 1 1 151 151 PHE N N 15 121.387 0.3 . 1 . . . . 151 Phe N . 18215 1 1535 . 1 1 152 152 ASN H H 1 8.891 0.02 . 1 . . . . 152 Asn H . 18215 1 1536 . 1 1 152 152 ASN HA H 1 4.385 0.02 . 1 . . . . 152 Asn HA . 18215 1 1537 . 1 1 152 152 ASN HB2 H 1 3.509 0.02 . 2 . . . . 152 Asn HB2 . 18215 1 1538 . 1 1 152 152 ASN HB3 H 1 2.338 0.02 . 2 . . . . 152 Asn HB3 . 18215 1 1539 . 1 1 152 152 ASN C C 13 176.308 0.3 . 1 . . . . 152 Asn C . 18215 1 1540 . 1 1 152 152 ASN CA C 13 56.645 0.3 . 1 . . . . 152 Asn CA . 18215 1 1541 . 1 1 152 152 ASN CB C 13 38.579 0.3 . 1 . . . . 152 Asn CB . 18215 1 1542 . 1 1 152 152 ASN N N 15 114.732 0.3 . 1 . . . . 152 Asn N . 18215 1 1543 . 1 1 153 153 LEU H H 1 8.332 0.02 . 1 . . . . 153 Leu H . 18215 1 1544 . 1 1 153 153 LEU HA H 1 4.518 0.02 . 1 . . . . 153 Leu HA . 18215 1 1545 . 1 1 153 153 LEU HB2 H 1 1.931 0.02 . 2 . . . . 153 Leu HB2 . 18215 1 1546 . 1 1 153 153 LEU HB3 H 1 2.048 0.02 . 2 . . . . 153 Leu HB3 . 18215 1 1547 . 1 1 153 153 LEU HD11 H 1 0.595 0.02 . 2 . . . . 153 Leu HD1 . 18215 1 1548 . 1 1 153 153 LEU HD12 H 1 0.595 0.02 . 2 . . . . 153 Leu HD1 . 18215 1 1549 . 1 1 153 153 LEU HD13 H 1 0.595 0.02 . 2 . . . . 153 Leu HD1 . 18215 1 1550 . 1 1 153 153 LEU HD21 H 1 0.967 0.02 . 2 . . . . 153 Leu HD2 . 18215 1 1551 . 1 1 153 153 LEU HD22 H 1 0.967 0.02 . 2 . . . . 153 Leu HD2 . 18215 1 1552 . 1 1 153 153 LEU HD23 H 1 0.967 0.02 . 2 . . . . 153 Leu HD2 . 18215 1 1553 . 1 1 153 153 LEU C C 13 176.727 0.3 . 1 . . . . 153 Leu C . 18215 1 1554 . 1 1 153 153 LEU CA C 13 54.892 0.3 . 1 . . . . 153 Leu CA . 18215 1 1555 . 1 1 153 153 LEU CB C 13 41.637 0.3 . 1 . . . . 153 Leu CB . 18215 1 1556 . 1 1 153 153 LEU CD1 C 13 22.945 0.3 . 2 . . . . 153 Leu CD1 . 18215 1 1557 . 1 1 153 153 LEU CD2 C 13 25.950 0.3 . 2 . . . . 153 Leu CD2 . 18215 1 1558 . 1 1 153 153 LEU N N 15 119.972 0.3 . 1 . . . . 153 Leu N . 18215 1 1559 . 1 1 154 154 ALA H H 1 7.813 0.02 . 1 . . . . 154 Ala H . 18215 1 1560 . 1 1 154 154 ALA HA H 1 5.239 0.02 . 1 . . . . 154 Ala HA . 18215 1 1561 . 1 1 154 154 ALA HB1 H 1 1.908 0.02 . 1 . . . . 154 Ala HB . 18215 1 1562 . 1 1 154 154 ALA HB2 H 1 1.908 0.02 . 1 . . . . 154 Ala HB . 18215 1 1563 . 1 1 154 154 ALA HB3 H 1 1.908 0.02 . 1 . . . . 154 Ala HB . 18215 1 1564 . 1 1 154 154 ALA C C 13 178.596 0.3 . 1 . . . . 154 Ala C . 18215 1 1565 . 1 1 154 154 ALA CA C 13 53.826 0.3 . 1 . . . . 154 Ala CA . 18215 1 1566 . 1 1 154 154 ALA CB C 13 19.687 0.3 . 1 . . . . 154 Ala CB . 18215 1 1567 . 1 1 154 154 ALA N N 15 125.919 0.3 . 1 . . . . 154 Ala N . 18215 1 1568 . 1 1 155 155 TYR H H 1 9.767 0.02 . 1 . . . . 155 Tyr H . 18215 1 1569 . 1 1 155 155 TYR HA H 1 5.702 0.02 . 1 . . . . 155 Tyr HA . 18215 1 1570 . 1 1 155 155 TYR HD1 H 1 7.459 0.02 . 3 . . . . 155 Tyr HD1 . 18215 1 1571 . 1 1 155 155 TYR HD2 H 1 7.459 0.02 . 3 . . . . 155 Tyr HD2 . 18215 1 1572 . 1 1 155 155 TYR C C 13 172.694 0.3 . 1 . . . . 155 Tyr C . 18215 1 1573 . 1 1 155 155 TYR CA C 13 55.171 0.3 . 1 . . . . 155 Tyr CA . 18215 1 1574 . 1 1 155 155 TYR CB C 13 42.435 0.3 . 1 . . . . 155 Tyr CB . 18215 1 1575 . 1 1 155 155 TYR N N 15 122.547 0.3 . 1 . . . . 155 Tyr N . 18215 1 1576 . 1 1 157 157 PRO C C 13 178.481 0.3 . 1 . . . . 157 Pro C . 18215 1 1577 . 1 1 157 157 PRO CA C 13 61.910 0.3 . 1 . . . . 157 Pro CA . 18215 1 1578 . 1 1 157 157 PRO CB C 13 31.691 0.3 . 1 . . . . 157 Pro CB . 18215 1 1579 . 1 1 158 158 PHE H H 1 9.159 0.02 . 1 . . . . 158 Phe H . 18215 1 1580 . 1 1 158 158 PHE HA H 1 4.286 0.02 . 1 . . . . 158 Phe HA . 18215 1 1581 . 1 1 158 158 PHE HB2 H 1 2.587 0.02 . 2 . . . . 158 Phe HB2 . 18215 1 1582 . 1 1 158 158 PHE HB3 H 1 2.442 0.02 . 2 . . . . 158 Phe HB3 . 18215 1 1583 . 1 1 158 158 PHE HD1 H 1 7.075 0.02 . 3 . . . . 158 Phe HD1 . 18215 1 1584 . 1 1 158 158 PHE HD2 H 1 7.075 0.02 . 3 . . . . 158 Phe HD2 . 18215 1 1585 . 1 1 158 158 PHE HE1 H 1 7.511 0.02 . 3 . . . . 158 Phe HE1 . 18215 1 1586 . 1 1 158 158 PHE HE2 H 1 7.511 0.02 . 3 . . . . 158 Phe HE2 . 18215 1 1587 . 1 1 158 158 PHE HZ H 1 7.319 0.02 . 1 . . . . 158 Phe HZ . 18215 1 1588 . 1 1 158 158 PHE C C 13 177.555 0.3 . 1 . . . . 158 Phe C . 18215 1 1589 . 1 1 158 158 PHE CA C 13 57.149 0.3 . 1 . . . . 158 Phe CA . 18215 1 1590 . 1 1 158 158 PHE CB C 13 36.116 0.3 . 1 . . . . 158 Phe CB . 18215 1 1591 . 1 1 158 158 PHE CD1 C 13 129.764 0.3 . 3 . . . . 158 Phe CD1 . 18215 1 1592 . 1 1 158 158 PHE CD2 C 13 129.764 0.3 . 3 . . . . 158 Phe CD2 . 18215 1 1593 . 1 1 158 158 PHE CE1 C 13 131.459 0.3 . 3 . . . . 158 Phe CE1 . 18215 1 1594 . 1 1 158 158 PHE CE2 C 13 131.459 0.3 . 3 . . . . 158 Phe CE2 . 18215 1 1595 . 1 1 158 158 PHE CZ C 13 129.233 0.3 . 1 . . . . 158 Phe CZ . 18215 1 1596 . 1 1 158 158 PHE N N 15 120.018 0.3 . 1 . . . . 158 Phe N . 18215 1 1597 . 1 1 159 159 CYS H H 1 7.587 0.02 . 1 . . . . 159 Cys H . 18215 1 1598 . 1 1 159 159 CYS HA H 1 4.724 0.02 . 1 . . . . 159 Cys HA . 18215 1 1599 . 1 1 159 159 CYS HB2 H 1 3.683 0.02 . 2 . . . . 159 Cys HB2 . 18215 1 1600 . 1 1 159 159 CYS HB3 H 1 3.070 0.02 . 2 . . . . 159 Cys HB3 . 18215 1 1601 . 1 1 159 159 CYS C C 13 175.046 0.3 . 1 . . . . 159 Cys C . 18215 1 1602 . 1 1 159 159 CYS CA C 13 58.543 0.3 . 1 . . . . 159 Cys CA . 18215 1 1603 . 1 1 159 159 CYS CB C 13 27.389 0.3 . 1 . . . . 159 Cys CB . 18215 1 1604 . 1 1 159 159 CYS N N 15 115.368 0.3 . 1 . . . . 159 Cys N . 18215 1 1605 . 1 1 160 160 ALA H H 1 8.045 0.02 . 1 . . . . 160 Ala H . 18215 1 1606 . 1 1 160 160 ALA HA H 1 3.813 0.02 . 1 . . . . 160 Ala HA . 18215 1 1607 . 1 1 160 160 ALA HB1 H 1 0.100 0.02 . 1 . . . . 160 Ala HB . 18215 1 1608 . 1 1 160 160 ALA HB2 H 1 0.100 0.02 . 1 . . . . 160 Ala HB . 18215 1 1609 . 1 1 160 160 ALA HB3 H 1 0.100 0.02 . 1 . . . . 160 Ala HB . 18215 1 1610 . 1 1 160 160 ALA C C 13 177.875 0.3 . 1 . . . . 160 Ala C . 18215 1 1611 . 1 1 160 160 ALA CA C 13 54.117 0.3 . 1 . . . . 160 Ala CA . 18215 1 1612 . 1 1 160 160 ALA CB C 13 17.891 0.3 . 1 . . . . 160 Ala CB . 18215 1 1613 . 1 1 160 160 ALA N N 15 125.400 0.3 . 1 . . . . 160 Ala N . 18215 1 1614 . 1 1 161 161 TYR H H 1 6.675 0.02 . 1 . . . . 161 Tyr H . 18215 1 1615 . 1 1 161 161 TYR HA H 1 4.902 0.02 . 1 . . . . 161 Tyr HA . 18215 1 1616 . 1 1 161 161 TYR HB2 H 1 3.394 0.02 . 2 . . . . 161 Tyr HB2 . 18215 1 1617 . 1 1 161 161 TYR HB3 H 1 2.818 0.02 . 2 . . . . 161 Tyr HB3 . 18215 1 1618 . 1 1 161 161 TYR HD1 H 1 6.750 0.02 . 3 . . . . 161 Tyr HD1 . 18215 1 1619 . 1 1 161 161 TYR HD2 H 1 6.750 0.02 . 3 . . . . 161 Tyr HD2 . 18215 1 1620 . 1 1 161 161 TYR HE1 H 1 6.702 0.02 . 3 . . . . 161 Tyr HE1 . 18215 1 1621 . 1 1 161 161 TYR HE2 H 1 6.702 0.02 . 3 . . . . 161 Tyr HE2 . 18215 1 1622 . 1 1 161 161 TYR C C 13 175.990 0.3 . 1 . . . . 161 Tyr C . 18215 1 1623 . 1 1 161 161 TYR CA C 13 55.290 0.3 . 1 . . . . 161 Tyr CA . 18215 1 1624 . 1 1 161 161 TYR CB C 13 37.639 0.3 . 1 . . . . 161 Tyr CB . 18215 1 1625 . 1 1 161 161 TYR CD1 C 13 131.878 0.3 . 3 . . . . 161 Tyr CD1 . 18215 1 1626 . 1 1 161 161 TYR CD2 C 13 131.878 0.3 . 3 . . . . 161 Tyr CD2 . 18215 1 1627 . 1 1 161 161 TYR CE1 C 13 117.598 0.3 . 3 . . . . 161 Tyr CE1 . 18215 1 1628 . 1 1 161 161 TYR CE2 C 13 117.598 0.3 . 3 . . . . 161 Tyr CE2 . 18215 1 1629 . 1 1 161 161 TYR N N 15 114.287 0.3 . 1 . . . . 161 Tyr N . 18215 1 1630 . 1 1 162 162 GLY H H 1 7.386 0.02 . 1 . . . . 162 Gly H . 18215 1 1631 . 1 1 162 162 GLY HA2 H 1 4.453 0.02 . 2 . . . . 162 Gly HA2 . 18215 1 1632 . 1 1 162 162 GLY HA3 H 1 3.842 0.02 . 2 . . . . 162 Gly HA3 . 18215 1 1633 . 1 1 162 162 GLY C C 13 175.209 0.3 . 1 . . . . 162 Gly C . 18215 1 1634 . 1 1 162 162 GLY CA C 13 45.409 0.3 . 1 . . . . 162 Gly CA . 18215 1 1635 . 1 1 162 162 GLY N N 15 104.573 0.3 . 1 . . . . 162 Gly N . 18215 1 1636 . 1 1 163 163 GLY H H 1 9.211 0.02 . 1 . . . . 163 Gly H . 18215 1 1637 . 1 1 163 163 GLY HA2 H 1 4.288 0.02 . 2 . . . . 163 Gly HA2 . 18215 1 1638 . 1 1 163 163 GLY HA3 H 1 3.852 0.02 . 2 . . . . 163 Gly HA3 . 18215 1 1639 . 1 1 163 163 GLY C C 13 174.377 0.3 . 1 . . . . 163 Gly C . 18215 1 1640 . 1 1 163 163 GLY CA C 13 44.697 0.3 . 1 . . . . 163 Gly CA . 18215 1 1641 . 1 1 163 163 GLY N N 15 109.907 0.3 . 1 . . . . 163 Gly N . 18215 1 1642 . 1 1 164 164 SER H H 1 8.401 0.02 . 1 . . . . 164 Ser H . 18215 1 1643 . 1 1 164 164 SER HA H 1 4.438 0.02 . 1 . . . . 164 Ser HA . 18215 1 1644 . 1 1 164 164 SER HB2 H 1 3.709 0.02 . 2 . . . . 164 Ser HB2 . 18215 1 1645 . 1 1 164 164 SER HB3 H 1 3.709 0.02 . 2 . . . . 164 Ser HB3 . 18215 1 1646 . 1 1 164 164 SER C C 13 173.645 0.3 . 1 . . . . 164 Ser C . 18215 1 1647 . 1 1 164 164 SER CA C 13 57.639 0.3 . 1 . . . . 164 Ser CA . 18215 1 1648 . 1 1 164 164 SER CB C 13 62.514 0.3 . 1 . . . . 164 Ser CB . 18215 1 1649 . 1 1 164 164 SER N N 15 115.972 0.3 . 1 . . . . 164 Ser N . 18215 1 1650 . 1 1 165 165 PHE H H 1 7.540 0.02 . 1 . . . . 165 Phe H . 18215 1 1651 . 1 1 165 165 PHE HA H 1 4.476 0.02 . 1 . . . . 165 Phe HA . 18215 1 1652 . 1 1 165 165 PHE HB2 H 1 3.207 0.02 . 2 . . . . 165 Phe HB2 . 18215 1 1653 . 1 1 165 165 PHE HB3 H 1 2.395 0.02 . 2 . . . . 165 Phe HB3 . 18215 1 1654 . 1 1 165 165 PHE HD1 H 1 7.212 0.02 . 3 . . . . 165 Phe HD1 . 18215 1 1655 . 1 1 165 165 PHE HD2 H 1 7.212 0.02 . 3 . . . . 165 Phe HD2 . 18215 1 1656 . 1 1 165 165 PHE C C 13 174.829 0.3 . 1 . . . . 165 Phe C . 18215 1 1657 . 1 1 165 165 PHE CA C 13 57.548 0.3 . 1 . . . . 165 Phe CA . 18215 1 1658 . 1 1 165 165 PHE CB C 13 42.264 0.3 . 1 . . . . 165 Phe CB . 18215 1 1659 . 1 1 165 165 PHE N N 15 121.535 0.3 . 1 . . . . 165 Phe N . 18215 1 1660 . 1 1 166 166 SER H H 1 8.995 0.02 . 1 . . . . 166 Ser H . 18215 1 1661 . 1 1 166 166 SER HA H 1 4.475 0.02 . 1 . . . . 166 Ser HA . 18215 1 1662 . 1 1 166 166 SER HB2 H 1 3.712 0.02 . 2 . . . . 166 Ser HB2 . 18215 1 1663 . 1 1 166 166 SER HB3 H 1 3.712 0.02 . 2 . . . . 166 Ser HB3 . 18215 1 1664 . 1 1 166 166 SER C C 13 174.999 0.3 . 1 . . . . 166 Ser C . 18215 1 1665 . 1 1 166 166 SER CA C 13 57.474 0.3 . 1 . . . . 166 Ser CA . 18215 1 1666 . 1 1 166 166 SER CB C 13 62.653 0.3 . 1 . . . . 166 Ser CB . 18215 1 1667 . 1 1 166 166 SER N N 15 118.655 0.3 . 1 . . . . 166 Ser N . 18215 1 1668 . 1 1 167 167 CYS H H 1 8.369 0.02 . 1 . . . . 167 Cys H . 18215 1 1669 . 1 1 167 167 CYS HA H 1 4.964 0.02 . 1 . . . . 167 Cys HA . 18215 1 1670 . 1 1 167 167 CYS HB2 H 1 3.718 0.02 . 2 . . . . 167 Cys HB2 . 18215 1 1671 . 1 1 167 167 CYS HB3 H 1 2.639 0.02 . 2 . . . . 167 Cys HB3 . 18215 1 1672 . 1 1 167 167 CYS C C 13 173.386 0.3 . 1 . . . . 167 Cys C . 18215 1 1673 . 1 1 167 167 CYS CA C 13 58.105 0.3 . 1 . . . . 167 Cys CA . 18215 1 1674 . 1 1 167 167 CYS CB C 13 31.219 0.3 . 1 . . . . 167 Cys CB . 18215 1 1675 . 1 1 167 167 CYS N N 15 126.112 0.3 . 1 . . . . 167 Cys N . 18215 1 1676 . 1 1 168 168 ALA H H 1 8.507 0.02 . 1 . . . . 168 Ala H . 18215 1 1677 . 1 1 168 168 ALA HA H 1 4.592 0.02 . 1 . . . . 168 Ala HA . 18215 1 1678 . 1 1 168 168 ALA HB1 H 1 1.334 0.02 . 1 . . . . 168 Ala HB . 18215 1 1679 . 1 1 168 168 ALA HB2 H 1 1.334 0.02 . 1 . . . . 168 Ala HB . 18215 1 1680 . 1 1 168 168 ALA HB3 H 1 1.334 0.02 . 1 . . . . 168 Ala HB . 18215 1 1681 . 1 1 168 168 ALA C C 13 177.561 0.3 . 1 . . . . 168 Ala C . 18215 1 1682 . 1 1 168 168 ALA CA C 13 52.499 0.3 . 1 . . . . 168 Ala CA . 18215 1 1683 . 1 1 168 168 ALA CB C 13 19.155 0.3 . 1 . . . . 168 Ala CB . 18215 1 1684 . 1 1 168 168 ALA N N 15 125.519 0.3 . 1 . . . . 168 Ala N . 18215 1 1685 . 1 1 169 169 LEU H H 1 9.103 0.02 . 1 . . . . 169 Leu H . 18215 1 1686 . 1 1 169 169 LEU HA H 1 4.885 0.02 . 1 . . . . 169 Leu HA . 18215 1 1687 . 1 1 169 169 LEU HD11 H 1 0.730 0.02 . 2 . . . . 169 Leu HD1 . 18215 1 1688 . 1 1 169 169 LEU HD12 H 1 0.730 0.02 . 2 . . . . 169 Leu HD1 . 18215 1 1689 . 1 1 169 169 LEU HD13 H 1 0.730 0.02 . 2 . . . . 169 Leu HD1 . 18215 1 1690 . 1 1 169 169 LEU HD21 H 1 0.621 0.02 . 2 . . . . 169 Leu HD2 . 18215 1 1691 . 1 1 169 169 LEU HD22 H 1 0.621 0.02 . 2 . . . . 169 Leu HD2 . 18215 1 1692 . 1 1 169 169 LEU HD23 H 1 0.621 0.02 . 2 . . . . 169 Leu HD2 . 18215 1 1693 . 1 1 169 169 LEU CA C 13 51.526 0.3 . 1 . . . . 169 Leu CA . 18215 1 1694 . 1 1 169 169 LEU CB C 13 41.388 0.3 . 1 . . . . 169 Leu CB . 18215 1 1695 . 1 1 169 169 LEU CD1 C 13 23.924 0.3 . 2 . . . . 169 Leu CD1 . 18215 1 1696 . 1 1 169 169 LEU CD2 C 13 25.186 0.3 . 2 . . . . 169 Leu CD2 . 18215 1 1697 . 1 1 169 169 LEU N N 15 123.761 0.3 . 1 . . . . 169 Leu N . 18215 1 1698 . 1 1 171 171 PRO HA H 1 4.770 0.02 . 1 . . . . 171 Pro HA . 18215 1 1699 . 1 1 171 171 PRO HB2 H 1 2.420 0.02 . 2 . . . . 171 Pro HB2 . 18215 1 1700 . 1 1 171 171 PRO HB3 H 1 2.420 0.02 . 2 . . . . 171 Pro HB3 . 18215 1 1701 . 1 1 171 171 PRO HG2 H 1 2.311 0.02 . 2 . . . . 171 Pro HG2 . 18215 1 1702 . 1 1 171 171 PRO HG3 H 1 2.202 0.02 . 2 . . . . 171 Pro HG3 . 18215 1 1703 . 1 1 171 171 PRO C C 13 178.541 0.3 . 1 . . . . 171 Pro C . 18215 1 1704 . 1 1 171 171 PRO CA C 13 62.160 0.3 . 1 . . . . 171 Pro CA . 18215 1 1705 . 1 1 171 171 PRO CB C 13 32.273 0.3 . 1 . . . . 171 Pro CB . 18215 1 1706 . 1 1 171 171 PRO CG C 13 27.538 0.3 . 1 . . . . 171 Pro CG . 18215 1 1707 . 1 1 172 172 ALA H H 1 9.181 0.02 . 1 . . . . 172 Ala H . 18215 1 1708 . 1 1 172 172 ALA HA H 1 4.081 0.02 . 1 . . . . 172 Ala HA . 18215 1 1709 . 1 1 172 172 ALA HB1 H 1 1.500 0.02 . 1 . . . . 172 Ala HB . 18215 1 1710 . 1 1 172 172 ALA HB2 H 1 1.500 0.02 . 1 . . . . 172 Ala HB . 18215 1 1711 . 1 1 172 172 ALA HB3 H 1 1.500 0.02 . 1 . . . . 172 Ala HB . 18215 1 1712 . 1 1 172 172 ALA C C 13 179.132 0.3 . 1 . . . . 172 Ala C . 18215 1 1713 . 1 1 172 172 ALA CA C 13 55.268 0.3 . 1 . . . . 172 Ala CA . 18215 1 1714 . 1 1 172 172 ALA CB C 13 18.211 0.3 . 1 . . . . 172 Ala CB . 18215 1 1715 . 1 1 172 172 ALA N N 15 126.818 0.3 . 1 . . . . 172 Ala N . 18215 1 1716 . 1 1 173 173 ASP H H 1 8.601 0.02 . 1 . . . . 173 Asp H . 18215 1 1717 . 1 1 173 173 ASP HA H 1 4.702 0.02 . 1 . . . . 173 Asp HA . 18215 1 1718 . 1 1 173 173 ASP HB2 H 1 2.866 0.02 . 2 . . . . 173 Asp HB2 . 18215 1 1719 . 1 1 173 173 ASP HB3 H 1 2.761 0.02 . 2 . . . . 173 Asp HB3 . 18215 1 1720 . 1 1 173 173 ASP C C 13 176.546 0.3 . 1 . . . . 173 Asp C . 18215 1 1721 . 1 1 173 173 ASP CA C 13 54.788 0.3 . 1 . . . . 173 Asp CA . 18215 1 1722 . 1 1 173 173 ASP CB C 13 39.597 0.3 . 1 . . . . 173 Asp CB . 18215 1 1723 . 1 1 173 173 ASP N N 15 111.412 0.3 . 1 . . . . 173 Asp N . 18215 1 1724 . 1 1 174 174 ASN H H 1 7.972 0.02 . 1 . . . . 174 Asn H . 18215 1 1725 . 1 1 174 174 ASN HA H 1 5.402 0.02 . 1 . . . . 174 Asn HA . 18215 1 1726 . 1 1 174 174 ASN HB2 H 1 4.267 0.02 . 2 . . . . 174 Asn HB2 . 18215 1 1727 . 1 1 174 174 ASN HB3 H 1 2.794 0.02 . 2 . . . . 174 Asn HB3 . 18215 1 1728 . 1 1 174 174 ASN C C 13 173.195 0.3 . 1 . . . . 174 Asn C . 18215 1 1729 . 1 1 174 174 ASN CA C 13 51.340 0.3 . 1 . . . . 174 Asn CA . 18215 1 1730 . 1 1 174 174 ASN CB C 13 37.185 0.3 . 1 . . . . 174 Asn CB . 18215 1 1731 . 1 1 174 174 ASN N N 15 121.056 0.3 . 1 . . . . 174 Asn N . 18215 1 1732 . 1 1 175 175 HIS H H 1 7.258 0.02 . 1 . . . . 175 His H . 18215 1 1733 . 1 1 175 175 HIS HA H 1 5.306 0.02 . 1 . . . . 175 His HA . 18215 1 1734 . 1 1 175 175 HIS HB2 H 1 3.068 0.02 . 2 . . . . 175 His HB2 . 18215 1 1735 . 1 1 175 175 HIS HB3 H 1 3.073 0.02 . 2 . . . . 175 His HB3 . 18215 1 1736 . 1 1 175 175 HIS HD2 H 1 7.060 0.02 . 1 . . . . 175 His HD2 . 18215 1 1737 . 1 1 175 175 HIS C C 13 175.188 0.3 . 1 . . . . 175 His C . 18215 1 1738 . 1 1 175 175 HIS CA C 13 55.309 0.3 . 1 . . . . 175 His CA . 18215 1 1739 . 1 1 175 175 HIS CB C 13 30.408 0.3 . 1 . . . . 175 His CB . 18215 1 1740 . 1 1 175 175 HIS N N 15 116.478 0.3 . 1 . . . . 175 His N . 18215 1 1741 . 1 1 176 176 VAL H H 1 9.010 0.02 . 1 . . . . 176 Val H . 18215 1 1742 . 1 1 176 176 VAL HA H 1 4.290 0.02 . 1 . . . . 176 Val HA . 18215 1 1743 . 1 1 176 176 VAL HB H 1 2.028 0.02 . 1 . . . . 176 Val HB . 18215 1 1744 . 1 1 176 176 VAL HG11 H 1 0.978 0.02 . 2 . . . . 176 Val HG1 . 18215 1 1745 . 1 1 176 176 VAL HG12 H 1 0.978 0.02 . 2 . . . . 176 Val HG1 . 18215 1 1746 . 1 1 176 176 VAL HG13 H 1 0.978 0.02 . 2 . . . . 176 Val HG1 . 18215 1 1747 . 1 1 176 176 VAL HG21 H 1 0.184 0.02 . 2 . . . . 176 Val HG2 . 18215 1 1748 . 1 1 176 176 VAL HG22 H 1 0.184 0.02 . 2 . . . . 176 Val HG2 . 18215 1 1749 . 1 1 176 176 VAL HG23 H 1 0.184 0.02 . 2 . . . . 176 Val HG2 . 18215 1 1750 . 1 1 176 176 VAL CA C 13 59.017 0.3 . 1 . . . . 176 Val CA . 18215 1 1751 . 1 1 176 176 VAL CB C 13 32.976 0.3 . 1 . . . . 176 Val CB . 18215 1 1752 . 1 1 176 176 VAL CG1 C 13 21.582 0.3 . 2 . . . . 176 Val CG1 . 18215 1 1753 . 1 1 176 176 VAL CG2 C 13 19.868 0.3 . 2 . . . . 176 Val CG2 . 18215 1 1754 . 1 1 176 176 VAL N N 15 131.722 0.3 . 1 . . . . 176 Val N . 18215 1 1755 . 1 1 177 177 PRO HA H 1 4.762 0.02 . 1 . . . . 177 Pro HA . 18215 1 1756 . 1 1 177 177 PRO C C 13 173.896 0.3 . 1 . . . . 177 Pro C . 18215 1 1757 . 1 1 177 177 PRO CA C 13 62.058 0.3 . 1 . . . . 177 Pro CA . 18215 1 1758 . 1 1 178 178 ALA H H 1 9.035 0.02 . 1 . . . . 178 Ala H . 18215 1 1759 . 1 1 178 178 ALA HA H 1 4.385 0.02 . 1 . . . . 178 Ala HA . 18215 1 1760 . 1 1 178 178 ALA HB1 H 1 1.046 0.02 . 1 . . . . 178 Ala HB . 18215 1 1761 . 1 1 178 178 ALA HB2 H 1 1.046 0.02 . 1 . . . . 178 Ala HB . 18215 1 1762 . 1 1 178 178 ALA HB3 H 1 1.046 0.02 . 1 . . . . 178 Ala HB . 18215 1 1763 . 1 1 178 178 ALA C C 13 175.753 0.3 . 1 . . . . 178 Ala C . 18215 1 1764 . 1 1 178 178 ALA CA C 13 51.124 0.3 . 1 . . . . 178 Ala CA . 18215 1 1765 . 1 1 178 178 ALA CB C 13 21.881 0.3 . 1 . . . . 178 Ala CB . 18215 1 1766 . 1 1 178 178 ALA N N 15 125.109 0.3 . 1 . . . . 178 Ala N . 18215 1 1767 . 1 1 179 179 ALA H H 1 8.964 0.02 . 1 . . . . 179 Ala H . 18215 1 1768 . 1 1 179 179 ALA HA H 1 4.410 0.02 . 1 . . . . 179 Ala HA . 18215 1 1769 . 1 1 179 179 ALA HB1 H 1 1.290 0.02 . 1 . . . . 179 Ala HB . 18215 1 1770 . 1 1 179 179 ALA HB2 H 1 1.290 0.02 . 1 . . . . 179 Ala HB . 18215 1 1771 . 1 1 179 179 ALA HB3 H 1 1.290 0.02 . 1 . . . . 179 Ala HB . 18215 1 1772 . 1 1 179 179 ALA C C 13 175.416 0.3 . 1 . . . . 179 Ala C . 18215 1 1773 . 1 1 179 179 ALA CA C 13 51.999 0.3 . 1 . . . . 179 Ala CA . 18215 1 1774 . 1 1 179 179 ALA CB C 13 17.619 0.3 . 1 . . . . 179 Ala CB . 18215 1 1775 . 1 1 179 179 ALA N N 15 124.831 0.3 . 1 . . . . 179 Ala N . 18215 1 1776 . 1 1 180 180 ILE H H 1 8.476 0.02 . 1 . . . . 180 Ile H . 18215 1 1777 . 1 1 180 180 ILE HA H 1 3.542 0.02 . 1 . . . . 180 Ile HA . 18215 1 1778 . 1 1 180 180 ILE HB H 1 1.556 0.02 . 1 . . . . 180 Ile HB . 18215 1 1779 . 1 1 180 180 ILE HG12 H 1 1.071 0.02 . 2 . . . . 180 Ile HG12 . 18215 1 1780 . 1 1 180 180 ILE HG13 H 1 0.450 0.02 . 2 . . . . 180 Ile HG13 . 18215 1 1781 . 1 1 180 180 ILE HG21 H 1 0.257 0.02 . 1 . . . . 180 Ile HG2 . 18215 1 1782 . 1 1 180 180 ILE HG22 H 1 0.257 0.02 . 1 . . . . 180 Ile HG2 . 18215 1 1783 . 1 1 180 180 ILE HG23 H 1 0.257 0.02 . 1 . . . . 180 Ile HG2 . 18215 1 1784 . 1 1 180 180 ILE HD11 H 1 -0.070 0.02 . 1 . . . . 180 Ile HD1 . 18215 1 1785 . 1 1 180 180 ILE HD12 H 1 -0.070 0.02 . 1 . . . . 180 Ile HD1 . 18215 1 1786 . 1 1 180 180 ILE HD13 H 1 -0.070 0.02 . 1 . . . . 180 Ile HD1 . 18215 1 1787 . 1 1 180 180 ILE C C 13 174.575 0.3 . 1 . . . . 180 Ile C . 18215 1 1788 . 1 1 180 180 ILE CA C 13 59.517 0.3 . 1 . . . . 180 Ile CA . 18215 1 1789 . 1 1 180 180 ILE CB C 13 34.182 0.3 . 1 . . . . 180 Ile CB . 18215 1 1790 . 1 1 180 180 ILE CG1 C 13 26.408 0.3 . 1 . . . . 180 Ile CG1 . 18215 1 1791 . 1 1 180 180 ILE CG2 C 13 17.339 0.3 . 1 . . . . 180 Ile CG2 . 18215 1 1792 . 1 1 180 180 ILE CD1 C 13 11.309 0.3 . 1 . . . . 180 Ile CD1 . 18215 1 1793 . 1 1 180 180 ILE N N 15 129.550 0.3 . 1 . . . . 180 Ile N . 18215 1 1794 . 1 1 181 181 THR H H 1 6.254 0.02 . 1 . . . . 181 Thr H . 18215 1 1795 . 1 1 181 181 THR HA H 1 2.219 0.02 . 1 . . . . 181 Thr HA . 18215 1 1796 . 1 1 181 181 THR HB H 1 3.590 0.02 . 1 . . . . 181 Thr HB . 18215 1 1797 . 1 1 181 181 THR HG21 H 1 0.565 0.02 . 1 . . . . 181 Thr HG2 . 18215 1 1798 . 1 1 181 181 THR HG22 H 1 0.565 0.02 . 1 . . . . 181 Thr HG2 . 18215 1 1799 . 1 1 181 181 THR HG23 H 1 0.565 0.02 . 1 . . . . 181 Thr HG2 . 18215 1 1800 . 1 1 181 181 THR C C 13 171.920 0.3 . 1 . . . . 181 Thr C . 18215 1 1801 . 1 1 181 181 THR CA C 13 56.989 0.3 . 1 . . . . 181 Thr CA . 18215 1 1802 . 1 1 181 181 THR CB C 13 65.594 0.3 . 1 . . . . 181 Thr CB . 18215 1 1803 . 1 1 181 181 THR CG2 C 13 20.672 0.3 . 1 . . . . 181 Thr CG2 . 18215 1 1804 . 1 1 181 181 THR N N 15 118.182 0.3 . 1 . . . . 181 Thr N . 18215 1 1805 . 1 1 182 182 ALA H H 1 7.213 0.02 . 1 . . . . 182 Ala H . 18215 1 1806 . 1 1 182 182 ALA HA H 1 4.416 0.02 . 1 . . . . 182 Ala HA . 18215 1 1807 . 1 1 182 182 ALA HB1 H 1 0.679 0.02 . 1 . . . . 182 Ala HB . 18215 1 1808 . 1 1 182 182 ALA HB2 H 1 0.679 0.02 . 1 . . . . 182 Ala HB . 18215 1 1809 . 1 1 182 182 ALA HB3 H 1 0.679 0.02 . 1 . . . . 182 Ala HB . 18215 1 1810 . 1 1 182 182 ALA C C 13 175.663 0.3 . 1 . . . . 182 Ala C . 18215 1 1811 . 1 1 182 182 ALA CA C 13 50.198 0.3 . 1 . . . . 182 Ala CA . 18215 1 1812 . 1 1 182 182 ALA CB C 13 22.361 0.3 . 1 . . . . 182 Ala CB . 18215 1 1813 . 1 1 182 182 ALA N N 15 121.264 0.3 . 1 . . . . 182 Ala N . 18215 1 1814 . 1 1 183 183 GLY H H 1 9.710 0.02 . 1 . . . . 183 Gly H . 18215 1 1815 . 1 1 183 183 GLY HA2 H 1 3.890 0.02 . 2 . . . . 183 Gly HA2 . 18215 1 1816 . 1 1 183 183 GLY HA3 H 1 3.890 0.02 . 2 . . . . 183 Gly HA3 . 18215 1 1817 . 1 1 183 183 GLY C C 13 173.027 0.3 . 1 . . . . 183 Gly C . 18215 1 1818 . 1 1 183 183 GLY CA C 13 44.871 0.3 . 1 . . . . 183 Gly CA . 18215 1 1819 . 1 1 183 183 GLY N N 15 109.083 0.3 . 1 . . . . 183 Gly N . 18215 1 1820 . 1 1 184 184 GLU HA H 1 4.206 0.02 . 1 . . . . 184 Glu HA . 18215 1 1821 . 1 1 184 184 GLU CA C 13 58.404 0.3 . 1 . . . . 184 Glu CA . 18215 1 1822 . 1 1 184 184 GLU CB C 13 31.875 0.3 . 1 . . . . 184 Glu CB . 18215 1 1823 . 1 1 185 185 ARG H H 1 8.825 0.02 . 1 . . . . 185 Arg H . 18215 1 1824 . 1 1 185 185 ARG C C 13 172.831 0.3 . 1 . . . . 185 Arg C . 18215 1 1825 . 1 1 185 185 ARG CA C 13 54.040 0.3 . 1 . . . . 185 Arg CA . 18215 1 1826 . 1 1 185 185 ARG CB C 13 32.584 0.3 . 1 . . . . 185 Arg CB . 18215 1 1827 . 1 1 185 185 ARG N N 15 126.670 0.3 . 1 . . . . 185 Arg N . 18215 1 1828 . 1 1 186 186 VAL H H 1 7.365 0.02 . 1 . . . . 186 Val H . 18215 1 1829 . 1 1 186 186 VAL HA H 1 4.561 0.02 . 1 . . . . 186 Val HA . 18215 1 1830 . 1 1 186 186 VAL HB H 1 2.142 0.02 . 1 . . . . 186 Val HB . 18215 1 1831 . 1 1 186 186 VAL HG11 H 1 0.952 0.02 . 2 . . . . 186 Val HG1 . 18215 1 1832 . 1 1 186 186 VAL HG12 H 1 0.952 0.02 . 2 . . . . 186 Val HG1 . 18215 1 1833 . 1 1 186 186 VAL HG13 H 1 0.952 0.02 . 2 . . . . 186 Val HG1 . 18215 1 1834 . 1 1 186 186 VAL HG21 H 1 0.584 0.02 . 2 . . . . 186 Val HG2 . 18215 1 1835 . 1 1 186 186 VAL HG22 H 1 0.584 0.02 . 2 . . . . 186 Val HG2 . 18215 1 1836 . 1 1 186 186 VAL HG23 H 1 0.584 0.02 . 2 . . . . 186 Val HG2 . 18215 1 1837 . 1 1 186 186 VAL C C 13 175.225 0.3 . 1 . . . . 186 Val C . 18215 1 1838 . 1 1 186 186 VAL CA C 13 59.757 0.3 . 1 . . . . 186 Val CA . 18215 1 1839 . 1 1 186 186 VAL CB C 13 34.379 0.3 . 1 . . . . 186 Val CB . 18215 1 1840 . 1 1 186 186 VAL CG1 C 13 21.507 0.3 . 2 . . . . 186 Val CG1 . 18215 1 1841 . 1 1 186 186 VAL CG2 C 13 18.556 0.3 . 2 . . . . 186 Val CG2 . 18215 1 1842 . 1 1 186 186 VAL N N 15 110.180 0.3 . 1 . . . . 186 Val N . 18215 1 1843 . 1 1 187 187 ASP H H 1 8.665 0.02 . 1 . . . . 187 Asp H . 18215 1 1844 . 1 1 187 187 ASP HA H 1 4.588 0.02 . 1 . . . . 187 Asp HA . 18215 1 1845 . 1 1 187 187 ASP HB2 H 1 2.740 0.02 . 2 . . . . 187 Asp HB2 . 18215 1 1846 . 1 1 187 187 ASP HB3 H 1 2.471 0.02 . 2 . . . . 187 Asp HB3 . 18215 1 1847 . 1 1 187 187 ASP C C 13 175.728 0.3 . 1 . . . . 187 Asp C . 18215 1 1848 . 1 1 187 187 ASP CA C 13 53.962 0.3 . 1 . . . . 187 Asp CA . 18215 1 1849 . 1 1 187 187 ASP CB C 13 41.642 0.3 . 1 . . . . 187 Asp CB . 18215 1 1850 . 1 1 187 187 ASP N N 15 122.178 0.3 . 1 . . . . 187 Asp N . 18215 1 1851 . 1 1 188 188 ALA H H 1 8.416 0.02 . 1 . . . . 188 Ala H . 18215 1 1852 . 1 1 188 188 ALA HA H 1 4.258 0.02 . 1 . . . . 188 Ala HA . 18215 1 1853 . 1 1 188 188 ALA HB1 H 1 1.347 0.02 . 1 . . . . 188 Ala HB . 18215 1 1854 . 1 1 188 188 ALA HB2 H 1 1.347 0.02 . 1 . . . . 188 Ala HB . 18215 1 1855 . 1 1 188 188 ALA HB3 H 1 1.347 0.02 . 1 . . . . 188 Ala HB . 18215 1 1856 . 1 1 188 188 ALA C C 13 177.492 0.3 . 1 . . . . 188 Ala C . 18215 1 1857 . 1 1 188 188 ALA CA C 13 52.773 0.3 . 1 . . . . 188 Ala CA . 18215 1 1858 . 1 1 188 188 ALA CB C 13 19.473 0.3 . 1 . . . . 188 Ala CB . 18215 1 1859 . 1 1 188 188 ALA N N 15 126.218 0.3 . 1 . . . . 188 Ala N . 18215 1 1860 . 1 1 189 189 ASP H H 1 8.460 0.02 . 1 . . . . 189 Asp H . 18215 1 1861 . 1 1 189 189 ASP HA H 1 4.586 0.02 . 1 . . . . 189 Asp HA . 18215 1 1862 . 1 1 189 189 ASP HB2 H 1 2.733 0.02 . 2 . . . . 189 Asp HB2 . 18215 1 1863 . 1 1 189 189 ASP HB3 H 1 2.733 0.02 . 2 . . . . 189 Asp HB3 . 18215 1 1864 . 1 1 189 189 ASP C C 13 176.670 0.3 . 1 . . . . 189 Asp C . 18215 1 1865 . 1 1 189 189 ASP CA C 13 54.414 0.3 . 1 . . . . 189 Asp CA . 18215 1 1866 . 1 1 189 189 ASP CB C 13 40.798 0.3 . 1 . . . . 189 Asp CB . 18215 1 1867 . 1 1 189 189 ASP N N 15 119.417 0.3 . 1 . . . . 189 Asp N . 18215 1 1868 . 1 1 190 190 LEU H H 1 8.116 0.02 . 1 . . . . 190 Leu H . 18215 1 1869 . 1 1 190 190 LEU HA H 1 4.193 0.02 . 1 . . . . 190 Leu HA . 18215 1 1870 . 1 1 190 190 LEU HB2 H 1 1.643 0.02 . 2 . . . . 190 Leu HB2 . 18215 1 1871 . 1 1 190 190 LEU HB3 H 1 1.570 0.02 . 2 . . . . 190 Leu HB3 . 18215 1 1872 . 1 1 190 190 LEU HG H 1 1.603 0.02 . 1 . . . . 190 Leu HG . 18215 1 1873 . 1 1 190 190 LEU HD11 H 1 0.925 0.02 . 2 . . . . 190 Leu HD1 . 18215 1 1874 . 1 1 190 190 LEU HD12 H 1 0.925 0.02 . 2 . . . . 190 Leu HD1 . 18215 1 1875 . 1 1 190 190 LEU HD13 H 1 0.925 0.02 . 2 . . . . 190 Leu HD1 . 18215 1 1876 . 1 1 190 190 LEU HD21 H 1 0.850 0.02 . 2 . . . . 190 Leu HD2 . 18215 1 1877 . 1 1 190 190 LEU HD22 H 1 0.850 0.02 . 2 . . . . 190 Leu HD2 . 18215 1 1878 . 1 1 190 190 LEU HD23 H 1 0.850 0.02 . 2 . . . . 190 Leu HD2 . 18215 1 1879 . 1 1 190 190 LEU C C 13 177.898 0.3 . 1 . . . . 190 Leu C . 18215 1 1880 . 1 1 190 190 LEU CA C 13 55.810 0.3 . 1 . . . . 190 Leu CA . 18215 1 1881 . 1 1 190 190 LEU CB C 13 42.056 0.3 . 1 . . . . 190 Leu CB . 18215 1 1882 . 1 1 190 190 LEU CG C 13 26.953 0.3 . 1 . . . . 190 Leu CG . 18215 1 1883 . 1 1 190 190 LEU CD1 C 13 25.038 0.3 . 2 . . . . 190 Leu CD1 . 18215 1 1884 . 1 1 190 190 LEU CD2 C 13 23.361 0.3 . 2 . . . . 190 Leu CD2 . 18215 1 1885 . 1 1 190 190 LEU N N 15 122.238 0.3 . 1 . . . . 190 Leu N . 18215 1 1886 . 1 1 191 191 GLU H H 1 8.226 0.02 . 1 . . . . 191 Glu H . 18215 1 1887 . 1 1 191 191 GLU HA H 1 4.114 0.02 . 1 . . . . 191 Glu HA . 18215 1 1888 . 1 1 191 191 GLU HB2 H 1 1.875 0.02 . 2 . . . . 191 Glu HB2 . 18215 1 1889 . 1 1 191 191 GLU HB3 H 1 1.875 0.02 . 2 . . . . 191 Glu HB3 . 18215 1 1890 . 1 1 191 191 GLU HG2 H 1 2.195 0.02 . 2 . . . . 191 Glu HG2 . 18215 1 1891 . 1 1 191 191 GLU HG3 H 1 2.106 0.02 . 2 . . . . 191 Glu HG3 . 18215 1 1892 . 1 1 191 191 GLU C C 13 176.524 0.3 . 1 . . . . 191 Glu C . 18215 1 1893 . 1 1 191 191 GLU CA C 13 57.050 0.3 . 1 . . . . 191 Glu CA . 18215 1 1894 . 1 1 191 191 GLU CB C 13 29.934 0.3 . 1 . . . . 191 Glu CB . 18215 1 1895 . 1 1 191 191 GLU CG C 13 36.257 0.3 . 1 . . . . 191 Glu CG . 18215 1 1896 . 1 1 191 191 GLU N N 15 119.649 0.3 . 1 . . . . 191 Glu N . 18215 1 stop_ save_