data_15617 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15617 _Entry.Title ; Northeast Structural Genomics Consortium Target YG1 (Alg13), Chemical Shift Assignments ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-01-04 _Entry.Accession_date 2008-01-04 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.112 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Xu Wang . . . 15617 2 Thomas Weldeghorghis . . . 15617 3 Gufeng Zhang . . . 15617 4 Barbara Imepriali . . . 15617 5 Gaetano Montelione . T. . 15617 6 James Prestegard . H. . 15617 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . 'University of Georgia' . 15617 1 . 'Northeast Structural Genomics Consortium' . 15617 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Rossmann-like fold' . 15617 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15617 RDCs 1 15617 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 668 15617 '15N chemical shifts' 189 15617 '1H chemical shifts' 754 15617 'residual dipolar couplings' 115 15617 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 3 . . 2011-05-31 2008-01-04 update BMRB 'update _RDC.RDC_code, etc.' 15617 2 . . 2008-07-07 2008-01-04 update BMRB 'complete entry citation' 15617 1 . . 2008-01-24 2008-01-04 original author 'original release' 15617 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2JZC 'BMRB Entry Tracking System' 15617 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15617 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18547528 _Citation.Full_citation . _Citation.Title 'Solution Structure of Alg13: The Sugar Donor Subunit of a Yeast N-Acetylglucosamine Transferase' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume 16 _Citation.Journal_issue 6 _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 965 _Citation.Page_last 975 _Citation.Year 2008 _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 Xu Wang . . . 15617 1 2 Thomas Weldeghorghis . . . 15617 1 3 Gufeng Zhang . . . 15617 1 4 Barbara Imepriali . . . 15617 1 5 James Prestegard . H. . 15617 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID glycosyltransferase 15617 1 'solution nmr' 15617 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15617 _Assembly.ID 1 _Assembly.Name alg13 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 25066.6 _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 alg13 1 $Alg13 A . yes native no no . . . 15617 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Alg13 _Entity.Sf_category entity _Entity.Sf_framecode Alg13 _Entity.Entry_ID 15617 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Alg13 _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 ; MGSSHHHHHHSSGLVPRGSH MLEGIIEEKALFVTCGATVP FPKLVSCVLSDEFCQELIQY GFVRLIIQFGRNYSSEFEHL VQERGGQRESQKIPIDQFGC GDTARQYVLMNGKLKVIGFD FSTKMQSIIRDYSDLVISHA GTGSILDSLRLNKPLIVCVN DSLMDNHQQQIADKFVELGY VWSCAPTETGLIAGLRASQT EKLKPFPVSHNPSFERLLVE TIYS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'The first 23 residues of the protein are part of a His-Thrombin cleavage site tag. Alg13 starts at G24' _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 224 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment alg13 _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 25066.6 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 2JZC . "Nmr Solution Structure Of Alg13: The Sugar Donor Subunit Of A Yeast N-Acetylglucosamine Transferase. Northeast Structural Genom" . . . . . 100.00 224 100.00 100.00 8.13e-164 . . . . 15617 1 2 no PDB 2KS6 . "Nmr Solution Structure Of Alg13 --- Obtained With Iterative Cs-Rosetta From Backbone Nmr Data" . . . . . 89.73 201 100.00 100.00 5.05e-145 . . . . 15617 1 3 no DBJ GAA23342 . "K7_Alg13p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 89.73 202 99.50 99.50 1.05e-144 . . . . 15617 1 4 no EMBL CAA96749 . "unnamed protein product [Saccharomyces cerevisiae]" . . . . . 89.73 202 100.00 100.00 2.11e-145 . . . . 15617 1 5 no EMBL CAY79713 . "Alg13p [Saccharomyces cerevisiae EC1118]" . . . . . 89.73 202 99.50 99.50 1.05e-144 . . . . 15617 1 6 no GB AHY79326 . "Alg13p [Saccharomyces cerevisiae YJM993]" . . . . . 89.73 202 99.00 99.00 8.41e-144 . . . . 15617 1 7 no GB AJP38744 . "Alg13p [Saccharomyces cerevisiae YJM1078]" . . . . . 89.73 202 99.50 99.50 1.05e-144 . . . . 15617 1 8 no GB AJR76064 . "Alg13p [Saccharomyces cerevisiae YJM189]" . . . . . 89.73 202 99.50 99.50 1.05e-144 . . . . 15617 1 9 no GB AJR76565 . "Alg13p [Saccharomyces cerevisiae YJM193]" . . . . . 89.73 202 99.00 99.00 8.41e-144 . . . . 15617 1 10 no GB AJR77063 . "Alg13p [Saccharomyces cerevisiae YJM195]" . . . . . 89.73 202 99.00 99.50 2.31e-144 . . . . 15617 1 11 no REF NP_011468 . "N-acetylglucosaminyldiphosphodolichol N-acetylglucosaminyltransferase catalytic subunit ALG13 [Saccharomyces cerevisiae S288c]" . . . . . 89.73 202 100.00 100.00 2.11e-145 . . . . 15617 1 12 no SP P53178 . "RecName: Full=UDP-N-acetylglucosamine transferase subunit ALG13; AltName: Full=Asparagine-linked glycosylation protein 13" . . . . . 89.73 202 100.00 100.00 2.11e-145 . . . . 15617 1 13 no TPG DAA08054 . "TPA: N-acetylglucosaminyldiphosphodolichol N-acetylglucosaminyltransferase catalytic subunit ALG13 [Saccharomyces cerevisiae S2" . . . . . 89.73 202 100.00 100.00 2.11e-145 . . . . 15617 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'glycosyltransferase sugar donor binding subunit' 15617 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 . 15617 1 2 . GLY . 15617 1 3 . SER . 15617 1 4 . SER . 15617 1 5 . HIS . 15617 1 6 . HIS . 15617 1 7 . HIS . 15617 1 8 . HIS . 15617 1 9 . HIS . 15617 1 10 . HIS . 15617 1 11 . SER . 15617 1 12 . SER . 15617 1 13 . GLY . 15617 1 14 . LEU . 15617 1 15 . VAL . 15617 1 16 . PRO . 15617 1 17 . ARG . 15617 1 18 . GLY . 15617 1 19 . SER . 15617 1 20 . HIS . 15617 1 21 . MET . 15617 1 22 . LEU . 15617 1 23 . GLU . 15617 1 24 . GLY . 15617 1 25 . ILE . 15617 1 26 . ILE . 15617 1 27 . GLU . 15617 1 28 . GLU . 15617 1 29 . LYS . 15617 1 30 . ALA . 15617 1 31 . LEU . 15617 1 32 . PHE . 15617 1 33 . VAL . 15617 1 34 . THR . 15617 1 35 . CYS . 15617 1 36 . GLY . 15617 1 37 . ALA . 15617 1 38 . THR . 15617 1 39 . VAL . 15617 1 40 . PRO . 15617 1 41 . PHE . 15617 1 42 . PRO . 15617 1 43 . LYS . 15617 1 44 . LEU . 15617 1 45 . VAL . 15617 1 46 . SER . 15617 1 47 . CYS . 15617 1 48 . VAL . 15617 1 49 . LEU . 15617 1 50 . SER . 15617 1 51 . ASP . 15617 1 52 . GLU . 15617 1 53 . PHE . 15617 1 54 . CYS . 15617 1 55 . GLN . 15617 1 56 . GLU . 15617 1 57 . LEU . 15617 1 58 . ILE . 15617 1 59 . GLN . 15617 1 60 . TYR . 15617 1 61 . GLY . 15617 1 62 . PHE . 15617 1 63 . VAL . 15617 1 64 . ARG . 15617 1 65 . LEU . 15617 1 66 . ILE . 15617 1 67 . ILE . 15617 1 68 . GLN . 15617 1 69 . PHE . 15617 1 70 . GLY . 15617 1 71 . ARG . 15617 1 72 . ASN . 15617 1 73 . TYR . 15617 1 74 . SER . 15617 1 75 . SER . 15617 1 76 . GLU . 15617 1 77 . PHE . 15617 1 78 . GLU . 15617 1 79 . HIS . 15617 1 80 . LEU . 15617 1 81 . VAL . 15617 1 82 . GLN . 15617 1 83 . GLU . 15617 1 84 . ARG . 15617 1 85 . GLY . 15617 1 86 . GLY . 15617 1 87 . GLN . 15617 1 88 . ARG . 15617 1 89 . GLU . 15617 1 90 . SER . 15617 1 91 . GLN . 15617 1 92 . LYS . 15617 1 93 . ILE . 15617 1 94 . PRO . 15617 1 95 . ILE . 15617 1 96 . ASP . 15617 1 97 . GLN . 15617 1 98 . PHE . 15617 1 99 . GLY . 15617 1 100 . CYS . 15617 1 101 . GLY . 15617 1 102 . ASP . 15617 1 103 . THR . 15617 1 104 . ALA . 15617 1 105 . ARG . 15617 1 106 . GLN . 15617 1 107 . TYR . 15617 1 108 . VAL . 15617 1 109 . LEU . 15617 1 110 . MET . 15617 1 111 . ASN . 15617 1 112 . GLY . 15617 1 113 . LYS . 15617 1 114 . LEU . 15617 1 115 . LYS . 15617 1 116 . VAL . 15617 1 117 . ILE . 15617 1 118 . GLY . 15617 1 119 . PHE . 15617 1 120 . ASP . 15617 1 121 . PHE . 15617 1 122 . SER . 15617 1 123 . THR . 15617 1 124 . LYS . 15617 1 125 . MET . 15617 1 126 . GLN . 15617 1 127 . SER . 15617 1 128 . ILE . 15617 1 129 . ILE . 15617 1 130 . ARG . 15617 1 131 . ASP . 15617 1 132 . TYR . 15617 1 133 . SER . 15617 1 134 . ASP . 15617 1 135 . LEU . 15617 1 136 . VAL . 15617 1 137 . ILE . 15617 1 138 . SER . 15617 1 139 . HIS . 15617 1 140 . ALA . 15617 1 141 . GLY . 15617 1 142 . THR . 15617 1 143 . GLY . 15617 1 144 . SER . 15617 1 145 . ILE . 15617 1 146 . LEU . 15617 1 147 . ASP . 15617 1 148 . SER . 15617 1 149 . LEU . 15617 1 150 . ARG . 15617 1 151 . LEU . 15617 1 152 . ASN . 15617 1 153 . LYS . 15617 1 154 . PRO . 15617 1 155 . LEU . 15617 1 156 . ILE . 15617 1 157 . VAL . 15617 1 158 . CYS . 15617 1 159 . VAL . 15617 1 160 . ASN . 15617 1 161 . ASP . 15617 1 162 . SER . 15617 1 163 . LEU . 15617 1 164 . MET . 15617 1 165 . ASP . 15617 1 166 . ASN . 15617 1 167 . HIS . 15617 1 168 . GLN . 15617 1 169 . GLN . 15617 1 170 . GLN . 15617 1 171 . ILE . 15617 1 172 . ALA . 15617 1 173 . ASP . 15617 1 174 . LYS . 15617 1 175 . PHE . 15617 1 176 . VAL . 15617 1 177 . GLU . 15617 1 178 . LEU . 15617 1 179 . GLY . 15617 1 180 . TYR . 15617 1 181 . VAL . 15617 1 182 . TRP . 15617 1 183 . SER . 15617 1 184 . CYS . 15617 1 185 . ALA . 15617 1 186 . PRO . 15617 1 187 . THR . 15617 1 188 . GLU . 15617 1 189 . THR . 15617 1 190 . GLY . 15617 1 191 . LEU . 15617 1 192 . ILE . 15617 1 193 . ALA . 15617 1 194 . GLY . 15617 1 195 . LEU . 15617 1 196 . ARG . 15617 1 197 . ALA . 15617 1 198 . SER . 15617 1 199 . GLN . 15617 1 200 . THR . 15617 1 201 . GLU . 15617 1 202 . LYS . 15617 1 203 . LEU . 15617 1 204 . LYS . 15617 1 205 . PRO . 15617 1 206 . PHE . 15617 1 207 . PRO . 15617 1 208 . VAL . 15617 1 209 . SER . 15617 1 210 . HIS . 15617 1 211 . ASN . 15617 1 212 . PRO . 15617 1 213 . SER . 15617 1 214 . PHE . 15617 1 215 . GLU . 15617 1 216 . ARG . 15617 1 217 . LEU . 15617 1 218 . LEU . 15617 1 219 . VAL . 15617 1 220 . GLU . 15617 1 221 . THR . 15617 1 222 . ILE . 15617 1 223 . TYR . 15617 1 224 . SER . 15617 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 15617 1 . GLY 2 2 15617 1 . SER 3 3 15617 1 . SER 4 4 15617 1 . HIS 5 5 15617 1 . HIS 6 6 15617 1 . HIS 7 7 15617 1 . HIS 8 8 15617 1 . HIS 9 9 15617 1 . HIS 10 10 15617 1 . SER 11 11 15617 1 . SER 12 12 15617 1 . GLY 13 13 15617 1 . LEU 14 14 15617 1 . VAL 15 15 15617 1 . PRO 16 16 15617 1 . ARG 17 17 15617 1 . GLY 18 18 15617 1 . SER 19 19 15617 1 . HIS 20 20 15617 1 . MET 21 21 15617 1 . LEU 22 22 15617 1 . GLU 23 23 15617 1 . GLY 24 24 15617 1 . ILE 25 25 15617 1 . ILE 26 26 15617 1 . GLU 27 27 15617 1 . GLU 28 28 15617 1 . LYS 29 29 15617 1 . ALA 30 30 15617 1 . LEU 31 31 15617 1 . PHE 32 32 15617 1 . VAL 33 33 15617 1 . THR 34 34 15617 1 . CYS 35 35 15617 1 . GLY 36 36 15617 1 . ALA 37 37 15617 1 . THR 38 38 15617 1 . VAL 39 39 15617 1 . PRO 40 40 15617 1 . PHE 41 41 15617 1 . PRO 42 42 15617 1 . LYS 43 43 15617 1 . LEU 44 44 15617 1 . VAL 45 45 15617 1 . SER 46 46 15617 1 . CYS 47 47 15617 1 . VAL 48 48 15617 1 . LEU 49 49 15617 1 . SER 50 50 15617 1 . ASP 51 51 15617 1 . GLU 52 52 15617 1 . PHE 53 53 15617 1 . CYS 54 54 15617 1 . GLN 55 55 15617 1 . GLU 56 56 15617 1 . LEU 57 57 15617 1 . ILE 58 58 15617 1 . GLN 59 59 15617 1 . TYR 60 60 15617 1 . GLY 61 61 15617 1 . PHE 62 62 15617 1 . VAL 63 63 15617 1 . ARG 64 64 15617 1 . LEU 65 65 15617 1 . ILE 66 66 15617 1 . ILE 67 67 15617 1 . GLN 68 68 15617 1 . PHE 69 69 15617 1 . GLY 70 70 15617 1 . ARG 71 71 15617 1 . ASN 72 72 15617 1 . TYR 73 73 15617 1 . SER 74 74 15617 1 . SER 75 75 15617 1 . GLU 76 76 15617 1 . PHE 77 77 15617 1 . GLU 78 78 15617 1 . HIS 79 79 15617 1 . LEU 80 80 15617 1 . VAL 81 81 15617 1 . GLN 82 82 15617 1 . GLU 83 83 15617 1 . ARG 84 84 15617 1 . GLY 85 85 15617 1 . GLY 86 86 15617 1 . GLN 87 87 15617 1 . ARG 88 88 15617 1 . GLU 89 89 15617 1 . SER 90 90 15617 1 . GLN 91 91 15617 1 . LYS 92 92 15617 1 . ILE 93 93 15617 1 . PRO 94 94 15617 1 . ILE 95 95 15617 1 . ASP 96 96 15617 1 . GLN 97 97 15617 1 . PHE 98 98 15617 1 . GLY 99 99 15617 1 . CYS 100 100 15617 1 . GLY 101 101 15617 1 . ASP 102 102 15617 1 . THR 103 103 15617 1 . ALA 104 104 15617 1 . ARG 105 105 15617 1 . GLN 106 106 15617 1 . TYR 107 107 15617 1 . VAL 108 108 15617 1 . LEU 109 109 15617 1 . MET 110 110 15617 1 . ASN 111 111 15617 1 . GLY 112 112 15617 1 . LYS 113 113 15617 1 . LEU 114 114 15617 1 . LYS 115 115 15617 1 . VAL 116 116 15617 1 . ILE 117 117 15617 1 . GLY 118 118 15617 1 . PHE 119 119 15617 1 . ASP 120 120 15617 1 . PHE 121 121 15617 1 . SER 122 122 15617 1 . THR 123 123 15617 1 . LYS 124 124 15617 1 . MET 125 125 15617 1 . GLN 126 126 15617 1 . SER 127 127 15617 1 . ILE 128 128 15617 1 . ILE 129 129 15617 1 . ARG 130 130 15617 1 . ASP 131 131 15617 1 . TYR 132 132 15617 1 . SER 133 133 15617 1 . ASP 134 134 15617 1 . LEU 135 135 15617 1 . VAL 136 136 15617 1 . ILE 137 137 15617 1 . SER 138 138 15617 1 . HIS 139 139 15617 1 . ALA 140 140 15617 1 . GLY 141 141 15617 1 . THR 142 142 15617 1 . GLY 143 143 15617 1 . SER 144 144 15617 1 . ILE 145 145 15617 1 . LEU 146 146 15617 1 . ASP 147 147 15617 1 . SER 148 148 15617 1 . LEU 149 149 15617 1 . ARG 150 150 15617 1 . LEU 151 151 15617 1 . ASN 152 152 15617 1 . LYS 153 153 15617 1 . PRO 154 154 15617 1 . LEU 155 155 15617 1 . ILE 156 156 15617 1 . VAL 157 157 15617 1 . CYS 158 158 15617 1 . VAL 159 159 15617 1 . ASN 160 160 15617 1 . ASP 161 161 15617 1 . SER 162 162 15617 1 . LEU 163 163 15617 1 . MET 164 164 15617 1 . ASP 165 165 15617 1 . ASN 166 166 15617 1 . HIS 167 167 15617 1 . GLN 168 168 15617 1 . GLN 169 169 15617 1 . GLN 170 170 15617 1 . ILE 171 171 15617 1 . ALA 172 172 15617 1 . ASP 173 173 15617 1 . LYS 174 174 15617 1 . PHE 175 175 15617 1 . VAL 176 176 15617 1 . GLU 177 177 15617 1 . LEU 178 178 15617 1 . GLY 179 179 15617 1 . TYR 180 180 15617 1 . VAL 181 181 15617 1 . TRP 182 182 15617 1 . SER 183 183 15617 1 . CYS 184 184 15617 1 . ALA 185 185 15617 1 . PRO 186 186 15617 1 . THR 187 187 15617 1 . GLU 188 188 15617 1 . THR 189 189 15617 1 . GLY 190 190 15617 1 . LEU 191 191 15617 1 . ILE 192 192 15617 1 . ALA 193 193 15617 1 . GLY 194 194 15617 1 . LEU 195 195 15617 1 . ARG 196 196 15617 1 . ALA 197 197 15617 1 . SER 198 198 15617 1 . GLN 199 199 15617 1 . THR 200 200 15617 1 . GLU 201 201 15617 1 . LYS 202 202 15617 1 . LEU 203 203 15617 1 . LYS 204 204 15617 1 . PRO 205 205 15617 1 . PHE 206 206 15617 1 . PRO 207 207 15617 1 . VAL 208 208 15617 1 . SER 209 209 15617 1 . HIS 210 210 15617 1 . ASN 211 211 15617 1 . PRO 212 212 15617 1 . SER 213 213 15617 1 . PHE 214 214 15617 1 . GLU 215 215 15617 1 . ARG 216 216 15617 1 . LEU 217 217 15617 1 . LEU 218 218 15617 1 . VAL 219 219 15617 1 . GLU 220 220 15617 1 . THR 221 221 15617 1 . ILE 222 222 15617 1 . TYR 223 223 15617 1 . SER 224 224 15617 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 15617 _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 $Alg13 . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae 'ATCC 204508 / S288c' . . . . . . . . . . . . . . . YGL047W . . . . 15617 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 15617 _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 $Alg13 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 BL21(DE3) . . . . . . . . . . . . . . pET-15b . . . . . . 15617 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_triple_label _Sample.Sf_category sample _Sample.Sf_framecode triple_label _Sample.Entry_ID 15617 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Uniform 13C,15N,2H labeled' _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 Alg13 '[U-13C; U-15N; U-2H]' . . 1 $Alg13 . . 0.35 . . mM . . . . 15617 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15617 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15617 1 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 15617 1 stop_ save_ save_methyl_label _Sample.Sf_category sample _Sample.Sf_framecode methyl_label _Sample.Entry_ID 15617 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C-labeled Leu, Val and Ile.cd1 methyl group' _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 Alg13 '[U-15N; U-2H; 13C,1H Leu, Val, Ile.D1 methyl]' . . 1 $Alg13 . . 0.35 . . mM . . . . 15617 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15617 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15617 2 stop_ save_ save_methyl_phe_label _Sample.Sf_category sample _Sample.Sf_framecode methyl_phe_label _Sample.Entry_ID 15617 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C,1H-labeled Leu, Val and Ile.cd1 methyl group and 1H-labeld Phe, the rest are 15N and 2H labeled' _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 Alg13 '[U-15N; U-2H; 13C,1H Leu, Val, Ile.D1 methyl; 1H-Phe]' . . 1 $Alg13 . . 0.35 . . mM . . . . 15617 3 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15617 3 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15617 3 stop_ save_ save_gel_aligned _Sample.Sf_category sample _Sample.Sf_framecode gel_aligned _Sample.Entry_ID 15617 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Uniform 13C,15N,2H labeled' _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 Alg13 '[U-13C; U-15N; U-2H]' . . 1 $Alg13 . . 0.35 . . mM . . . . 15617 4 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15617 4 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15617 4 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 15617 4 5 acrylamide 'natural abundance' . . . . . . 3.5 . . w/v . . . . 15617 4 6 '(3-acrylamidopropyl)-trimethylammonium chloride' 'natural abundance' . . . . . . 3.5 . . w/v . . . . 15617 4 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 15617 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 15617 1 pH 6.7 . pH 15617 1 pressure 1 . atm 15617 1 temperature 297 . K 15617 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15617 _Software.ID 1 _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' . . 15617 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15617 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 15617 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 15617 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15617 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15617 _Software.ID 3 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 15617 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15617 3 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 15617 _Software.ID 4 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 15617 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15617 4 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 15617 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15617 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 15617 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian Unity . 600 . . . 15617 1 2 spectrometer_2 Varian Unity . 900 . . . 15617 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 15617 _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' no . . . . . . . . . . 1 $triple_label isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15617 1 2 '3D HNCACB' no . . . . . . . . . . 1 $triple_label isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15617 1 3 '3D HNCA' no . . . . . . . . . . 1 $triple_label isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15617 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $triple_label isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15617 1 5 '3D HN(COCA)CB' no . . . . . . . . . . 1 $triple_label isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15617 1 6 '3D HNCACO' no . . . . . . . . . . 1 $triple_label isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15617 1 7 '3D HNCO' no . . . . . . . . . . 1 $triple_label isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15617 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $methyl_label isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15617 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $methyl_label isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15617 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $methyl_phe_label isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15617 1 11 '2D S3-TROSY' no . . . . . . . . . . 4 $gel_aligned anisotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15617 1 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 15617 _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 . indirect 0.251449530 . . . . . . . . . 15617 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15617 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15617 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 15617 _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 0.05 _Assigned_chem_shift_list.Chem_shift_13C_err 0.5 _Assigned_chem_shift_list.Chem_shift_15N_err 0.5 _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' . . . 15617 1 2 '3D HNCACB' . . . 15617 1 3 '3D HNCA' . . . 15617 1 4 '3D HN(CO)CA' . . . 15617 1 5 '3D HN(COCA)CB' . . . 15617 1 6 '3D HNCACO' . . . 15617 1 7 '3D HNCO' . . . 15617 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $NMRView . . 15617 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 SER HB2 H 1 3.853 0.05 . 2 . . . . 3 S HB2 . 15617 1 2 . 1 1 3 3 SER C C 13 174.600 0.5 . 1 . . . . 3 S C . 15617 1 3 . 1 1 4 4 SER H H 1 8.467 0.05 . 1 . . . . 4 S HN . 15617 1 4 . 1 1 4 4 SER C C 13 174.700 0.5 . 1 . . . . 4 S C . 15617 1 5 . 1 1 4 4 SER CA C 13 59.300 0.5 . 1 . . . . 4 S CA . 15617 1 6 . 1 1 4 4 SER CB C 13 63.600 0.5 . 1 . . . . 4 S CB . 15617 1 7 . 1 1 4 4 SER N N 15 118.038 0.5 . 1 . . . . 4 S N . 15617 1 8 . 1 1 5 5 HIS H H 1 8.648 0.05 . 1 . . . . 5 H HN . 15617 1 9 . 1 1 5 5 HIS C C 13 175.200 0.5 . 1 . . . . 5 H C . 15617 1 10 . 1 1 5 5 HIS CA C 13 55.400 0.5 . 1 . . . . 5 H CA . 15617 1 11 . 1 1 5 5 HIS CB C 13 28.700 0.5 . 1 . . . . 5 H CB . 15617 1 12 . 1 1 5 5 HIS N N 15 123.738 0.5 . 1 . . . . 5 H N . 15617 1 13 . 1 1 6 6 HIS C C 13 176.900 0.5 . 1 . . . . 6 H C . 15617 1 14 . 1 1 12 12 SER HA H 1 4.460 0.05 . 1 . . . . 12 S HA . 15617 1 15 . 1 1 12 12 SER HB2 H 1 3.890 0.05 . 2 . . . . 12 S HB2 . 15617 1 16 . 1 1 12 12 SER C C 13 174.900 0.5 . 1 . . . . 12 S C . 15617 1 17 . 1 1 12 12 SER CA C 13 58.700 0.5 . 1 . . . . 12 S CA . 15617 1 18 . 1 1 12 12 SER CB C 13 64.300 0.5 . 1 . . . . 12 S CB . 15617 1 19 . 1 1 13 13 GLY H H 1 8.358 0.05 . 1 . . . . 13 G HN . 15617 1 20 . 1 1 13 13 GLY HA2 H 1 3.942 0.05 . 2 . . . . 13 G HA2 . 15617 1 21 . 1 1 13 13 GLY C C 13 173.800 0.5 . 1 . . . . 13 G C . 15617 1 22 . 1 1 13 13 GLY CA C 13 45.300 0.5 . 1 . . . . 13 G CA . 15617 1 23 . 1 1 13 13 GLY N N 15 110.338 0.5 . 1 . . . . 13 G N . 15617 1 24 . 1 1 14 14 LEU H H 1 8.038 0.05 . 1 . . . . 14 L HN . 15617 1 25 . 1 1 14 14 LEU HB2 H 1 1.530 0.05 . 2 . . . . 14 L HB2 . 15617 1 26 . 1 1 14 14 LEU HD11 H 1 0.800 0.05 . 2 . . . . 14 L HD11 . 15617 1 27 . 1 1 14 14 LEU HD12 H 1 0.800 0.05 . 2 . . . . 14 L HD11 . 15617 1 28 . 1 1 14 14 LEU HD13 H 1 0.800 0.05 . 2 . . . . 14 L HD11 . 15617 1 29 . 1 1 14 14 LEU HD21 H 1 0.850 0.05 . 2 . . . . 14 L HD21 . 15617 1 30 . 1 1 14 14 LEU HD22 H 1 0.850 0.05 . 2 . . . . 14 L HD21 . 15617 1 31 . 1 1 14 14 LEU HD23 H 1 0.850 0.05 . 2 . . . . 14 L HD21 . 15617 1 32 . 1 1 14 14 LEU C C 13 177.100 0.5 . 1 . . . . 14 L C . 15617 1 33 . 1 1 14 14 LEU CA C 13 55.300 0.5 . 1 . . . . 14 L CA . 15617 1 34 . 1 1 14 14 LEU CB C 13 41.700 0.5 . 1 . . . . 14 L CB . 15617 1 35 . 1 1 14 14 LEU CD1 C 13 23.400 0.5 . 1 . . . . 14 L CD1 . 15617 1 36 . 1 1 14 14 LEU CD2 C 13 24.800 0.5 . 1 . . . . 14 L CD2 . 15617 1 37 . 1 1 14 14 LEU CG C 13 27.200 0.5 . 1 . . . . 14 L CG . 15617 1 38 . 1 1 14 14 LEU N N 15 121.438 0.5 . 1 . . . . 14 L N . 15617 1 39 . 1 1 15 15 VAL H H 1 8.078 0.05 . 1 . . . . 15 V HN . 15617 1 40 . 1 1 15 15 VAL HA H 1 4.350 0.05 . 1 . . . . 15 V HA . 15617 1 41 . 1 1 15 15 VAL HG11 H 1 0.860 0.05 . 2 . . . . 15 V HG11 . 15617 1 42 . 1 1 15 15 VAL HG12 H 1 0.860 0.05 . 2 . . . . 15 V HG11 . 15617 1 43 . 1 1 15 15 VAL HG13 H 1 0.860 0.05 . 2 . . . . 15 V HG11 . 15617 1 44 . 1 1 15 15 VAL HG21 H 1 0.880 0.05 . 2 . . . . 15 V HG21 . 15617 1 45 . 1 1 15 15 VAL HG22 H 1 0.880 0.05 . 2 . . . . 15 V HG21 . 15617 1 46 . 1 1 15 15 VAL HG23 H 1 0.880 0.05 . 2 . . . . 15 V HG21 . 15617 1 47 . 1 1 15 15 VAL CA C 13 59.800 0.5 . 1 . . . . 15 V CA . 15617 1 48 . 1 1 15 15 VAL CB C 13 32.100 0.5 . 1 . . . . 15 V CB . 15617 1 49 . 1 1 15 15 VAL CG1 C 13 21.000 0.5 . 1 . . . . 15 V CG1 . 15617 1 50 . 1 1 15 15 VAL CG2 C 13 20.400 0.5 . 1 . . . . 15 V CG2 . 15617 1 51 . 1 1 15 15 VAL N N 15 122.438 0.5 . 1 . . . . 15 V N . 15617 1 52 . 1 1 16 16 PRO HA H 1 4.356 0.05 . 1 . . . . 16 P HA . 15617 1 53 . 1 1 16 16 PRO HB2 H 1 2.220 0.05 . 2 . . . . 16 P HB2 . 15617 1 54 . 1 1 16 16 PRO HD2 H 1 3.625 0.05 . 2 . . . . 16 P HD1 . 15617 1 55 . 1 1 16 16 PRO HD3 H 1 3.830 0.05 . 2 . . . . 16 P HD2 . 15617 1 56 . 1 1 16 16 PRO HG2 H 1 1.900 0.05 . 2 . . . . 16 P HG1 . 15617 1 57 . 1 1 16 16 PRO HG3 H 1 1.980 0.05 . 2 . . . . 16 P HG2 . 15617 1 58 . 1 1 16 16 PRO C C 13 176.900 0.5 . 1 . . . . 16 P C . 15617 1 59 . 1 1 16 16 PRO CA C 13 63.000 0.5 . 1 . . . . 16 P CA . 15617 1 60 . 1 1 16 16 PRO CB C 13 31.800 0.5 . 1 . . . . 16 P CB . 15617 1 61 . 1 1 17 17 ARG H H 1 8.458 0.05 . 1 . . . . 17 R HN . 15617 1 62 . 1 1 17 17 ARG HA H 1 4.260 0.05 . 1 . . . . 17 R HA . 15617 1 63 . 1 1 17 17 ARG HB2 H 1 1.810 0.05 . 2 . . . . 17 R HB2 . 15617 1 64 . 1 1 17 17 ARG HD2 H 1 3.160 0.05 . 2 . . . . 17 R HD2 . 15617 1 65 . 1 1 17 17 ARG HG2 H 1 1.640 0.05 . 2 . . . . 17 R HG2 . 15617 1 66 . 1 1 17 17 ARG C C 13 177.000 0.5 . 1 . . . . 17 R C . 15617 1 67 . 1 1 17 17 ARG CA C 13 56.400 0.5 . 1 . . . . 17 R CA . 15617 1 68 . 1 1 17 17 ARG CB C 13 30.300 0.5 . 1 . . . . 17 R CB . 15617 1 69 . 1 1 17 17 ARG N N 15 121.738 0.5 . 1 . . . . 17 R N . 15617 1 70 . 1 1 18 18 GLY H H 1 8.467 0.05 . 1 . . . . 18 G HN . 15617 1 71 . 1 1 18 18 GLY HA2 H 1 3.970 0.05 . 2 . . . . 18 G HA2 . 15617 1 72 . 1 1 18 18 GLY C C 13 174.100 0.5 . 1 . . . . 18 G C . 15617 1 73 . 1 1 18 18 GLY CA C 13 45.400 0.5 . 1 . . . . 18 G CA . 15617 1 74 . 1 1 18 18 GLY N N 15 110.038 0.5 . 1 . . . . 18 G N . 15617 1 75 . 1 1 19 19 SER H H 1 8.198 0.05 . 1 . . . . 19 S HN . 15617 1 76 . 1 1 19 19 SER CA C 13 58.800 0.5 . 1 . . . . 19 S CA . 15617 1 77 . 1 1 19 19 SER CB C 13 64.100 0.5 . 1 . . . . 19 S CB . 15617 1 78 . 1 1 19 19 SER N N 15 115.438 0.5 . 1 . . . . 19 S N . 15617 1 79 . 1 1 22 22 LEU C C 13 175.000 0.5 . 1 . . . . 22 L C . 15617 1 80 . 1 1 23 23 GLU H H 1 8.288 0.05 . 1 . . . . 23 E HN . 15617 1 81 . 1 1 23 23 GLU HA H 1 4.420 0.05 . 1 . . . . 23 E HA . 15617 1 82 . 1 1 23 23 GLU HB2 H 1 2.380 0.05 . 2 . . . . 23 E HB1 . 15617 1 83 . 1 1 23 23 GLU HB3 H 1 2.470 0.05 . 2 . . . . 23 E HB2 . 15617 1 84 . 1 1 23 23 GLU C C 13 176.400 0.5 . 1 . . . . 23 E C . 15617 1 85 . 1 1 23 23 GLU CA C 13 55.600 0.5 . 1 . . . . 23 E CA . 15617 1 86 . 1 1 23 23 GLU CB C 13 32.200 0.5 . 1 . . . . 23 E CB . 15617 1 87 . 1 1 23 23 GLU N N 15 120.938 0.5 . 1 . . . . 23 E N . 15617 1 88 . 1 1 24 24 GLY H H 1 8.347 0.05 . 1 . . . . 24 G HN . 15617 1 89 . 1 1 24 24 GLY C C 13 173.700 0.5 . 1 . . . . 24 G C . 15617 1 90 . 1 1 24 24 GLY CA C 13 45.400 0.5 . 1 . . . . 24 G CA . 15617 1 91 . 1 1 24 24 GLY N N 15 109.538 0.5 . 1 . . . . 24 G N . 15617 1 92 . 1 1 25 25 ILE H H 1 7.918 0.05 . 1 . . . . 25 I HN . 15617 1 93 . 1 1 25 25 ILE HA H 1 4.170 0.05 . 1 . . . . 25 I HA . 15617 1 94 . 1 1 25 25 ILE HB H 1 1.810 0.05 . 1 . . . . 25 I HB . 15617 1 95 . 1 1 25 25 ILE HD11 H 1 0.800 0.05 . 1 . . . . 25 I HD11 . 15617 1 96 . 1 1 25 25 ILE HD12 H 1 0.800 0.05 . 1 . . . . 25 I HD11 . 15617 1 97 . 1 1 25 25 ILE HD13 H 1 0.800 0.05 . 1 . . . . 25 I HD11 . 15617 1 98 . 1 1 25 25 ILE HG12 H 1 1.090 0.05 . 1 . . . . 25 I HG11 . 15617 1 99 . 1 1 25 25 ILE HG13 H 1 1.410 0.05 . 1 . . . . 25 I HG12 . 15617 1 100 . 1 1 25 25 ILE HG21 H 1 0.850 0.05 . 1 . . . . 25 I HG21 . 15617 1 101 . 1 1 25 25 ILE HG22 H 1 0.850 0.05 . 1 . . . . 25 I HG21 . 15617 1 102 . 1 1 25 25 ILE HG23 H 1 0.850 0.05 . 1 . . . . 25 I HG21 . 15617 1 103 . 1 1 25 25 ILE C C 13 176.100 0.5 . 1 . . . . 25 I C . 15617 1 104 . 1 1 25 25 ILE CA C 13 61.100 0.5 . 1 . . . . 25 I CA . 15617 1 105 . 1 1 25 25 ILE CB C 13 38.400 0.5 . 1 . . . . 25 I CB . 15617 1 106 . 1 1 25 25 ILE CD1 C 13 12.800 0.5 . 1 . . . . 25 I CD1 . 15617 1 107 . 1 1 25 25 ILE CG1 C 13 27.100 0.5 . 1 . . . . 25 I CG1 . 15617 1 108 . 1 1 25 25 ILE CG2 C 13 17.500 0.5 . 1 . . . . 25 I CG2 . 15617 1 109 . 1 1 25 25 ILE N N 15 119.938 0.5 . 1 . . . . 25 I N . 15617 1 110 . 1 1 26 26 ILE H H 1 8.227 0.05 . 1 . . . . 26 I HN . 15617 1 111 . 1 1 26 26 ILE HA H 1 4.170 0.05 . 1 . . . . 26 I HA . 15617 1 112 . 1 1 26 26 ILE HB H 1 1.810 0.05 . 1 . . . . 26 I HB . 15617 1 113 . 1 1 26 26 ILE HD11 H 1 0.820 0.05 . 1 . . . . 26 I HD11 . 15617 1 114 . 1 1 26 26 ILE HD12 H 1 0.820 0.05 . 1 . . . . 26 I HD11 . 15617 1 115 . 1 1 26 26 ILE HD13 H 1 0.820 0.05 . 1 . . . . 26 I HD11 . 15617 1 116 . 1 1 26 26 ILE HG12 H 1 1.130 0.05 . 1 . . . . 26 I HG11 . 15617 1 117 . 1 1 26 26 ILE HG13 H 1 1.440 0.05 . 1 . . . . 26 I HG12 . 15617 1 118 . 1 1 26 26 ILE HG21 H 1 0.850 0.05 . 1 . . . . 26 I HG21 . 15617 1 119 . 1 1 26 26 ILE HG22 H 1 0.850 0.05 . 1 . . . . 26 I HG21 . 15617 1 120 . 1 1 26 26 ILE HG23 H 1 0.850 0.05 . 1 . . . . 26 I HG21 . 15617 1 121 . 1 1 26 26 ILE C C 13 175.800 0.5 . 1 . . . . 26 I C . 15617 1 122 . 1 1 26 26 ILE CA C 13 60.900 0.5 . 1 . . . . 26 I CA . 15617 1 123 . 1 1 26 26 ILE CB C 13 38.300 0.5 . 1 . . . . 26 I CB . 15617 1 124 . 1 1 26 26 ILE CD1 C 13 12.800 0.5 . 1 . . . . 26 I CD1 . 15617 1 125 . 1 1 26 26 ILE CG1 C 13 27.100 0.5 . 1 . . . . 26 I CG1 . 15617 1 126 . 1 1 26 26 ILE CG2 C 13 17.500 0.5 . 1 . . . . 26 I CG2 . 15617 1 127 . 1 1 26 26 ILE N N 15 125.138 0.5 . 1 . . . . 26 I N . 15617 1 128 . 1 1 27 27 GLU H H 1 8.408 0.05 . 1 . . . . 27 E HN . 15617 1 129 . 1 1 27 27 GLU HG2 H 1 2.210 0.05 . 2 . . . . 27 E HG2 . 15617 1 130 . 1 1 27 27 GLU C C 13 175.600 0.5 . 1 . . . . 27 E C . 15617 1 131 . 1 1 27 27 GLU CA C 13 56.500 0.5 . 1 . . . . 27 E CA . 15617 1 132 . 1 1 27 27 GLU CB C 13 30.200 0.5 . 1 . . . . 27 E CB . 15617 1 133 . 1 1 27 27 GLU N N 15 125.438 0.5 . 1 . . . . 27 E N . 15617 1 134 . 1 1 28 28 GLU H H 1 8.358 0.05 . 1 . . . . 28 E HN . 15617 1 135 . 1 1 28 28 GLU HG2 H 1 2.140 0.05 . 2 . . . . 28 E HG1 . 15617 1 136 . 1 1 28 28 GLU HG3 H 1 2.290 0.05 . 2 . . . . 28 E HG2 . 15617 1 137 . 1 1 28 28 GLU C C 13 175.900 0.5 . 1 . . . . 28 E C . 15617 1 138 . 1 1 28 28 GLU CA C 13 56.200 0.5 . 1 . . . . 28 E CA . 15617 1 139 . 1 1 28 28 GLU CB C 13 30.000 0.5 . 1 . . . . 28 E CB . 15617 1 140 . 1 1 28 28 GLU N N 15 121.638 0.5 . 1 . . . . 28 E N . 15617 1 141 . 1 1 29 29 LYS H H 1 7.938 0.05 . 1 . . . . 29 K HN . 15617 1 142 . 1 1 29 29 LYS C C 13 175.600 0.5 . 1 . . . . 29 K C . 15617 1 143 . 1 1 29 29 LYS CA C 13 56.400 0.5 . 1 . . . . 29 K CA . 15617 1 144 . 1 1 29 29 LYS CB C 13 33.700 0.5 . 1 . . . . 29 K CB . 15617 1 145 . 1 1 29 29 LYS N N 15 122.238 0.5 . 1 . . . . 29 K N . 15617 1 146 . 1 1 30 30 ALA H H 1 9.767 0.05 . 1 . . . . 30 A HN . 15617 1 147 . 1 1 30 30 ALA HB1 H 1 1.570 0.05 . 1 . . . . 30 A HB1 . 15617 1 148 . 1 1 30 30 ALA HB2 H 1 1.570 0.05 . 1 . . . . 30 A HB1 . 15617 1 149 . 1 1 30 30 ALA HB3 H 1 1.570 0.05 . 1 . . . . 30 A HB1 . 15617 1 150 . 1 1 30 30 ALA C C 13 176.500 0.5 . 1 . . . . 30 A C . 15617 1 151 . 1 1 30 30 ALA CA C 13 50.690 0.5 . 1 . . . . 30 A CA . 15617 1 152 . 1 1 30 30 ALA CB C 13 23.640 0.5 . 1 . . . . 30 A CB . 15617 1 153 . 1 1 30 30 ALA N N 15 124.878 0.5 . 1 . . . . 30 A N . 15617 1 154 . 1 1 31 31 LEU H H 1 8.778 0.05 . 1 . . . . 31 L HN . 15617 1 155 . 1 1 31 31 LEU HB2 H 1 1.590 0.05 . 2 . . . . 31 L HB2 . 15617 1 156 . 1 1 31 31 LEU HD11 H 1 0.820 0.05 . 2 . . . . 31 L HD11 . 15617 1 157 . 1 1 31 31 LEU HD12 H 1 0.820 0.05 . 2 . . . . 31 L HD11 . 15617 1 158 . 1 1 31 31 LEU HD13 H 1 0.820 0.05 . 2 . . . . 31 L HD11 . 15617 1 159 . 1 1 31 31 LEU HD21 H 1 0.690 0.05 . 2 . . . . 31 L HD21 . 15617 1 160 . 1 1 31 31 LEU HD22 H 1 0.690 0.05 . 2 . . . . 31 L HD21 . 15617 1 161 . 1 1 31 31 LEU HD23 H 1 0.690 0.05 . 2 . . . . 31 L HD21 . 15617 1 162 . 1 1 31 31 LEU C C 13 173.300 0.5 . 1 . . . . 31 L C . 15617 1 163 . 1 1 31 31 LEU CA C 13 53.100 0.5 . 1 . . . . 31 L CA . 15617 1 164 . 1 1 31 31 LEU CB C 13 44.200 0.5 . 1 . . . . 31 L CB . 15617 1 165 . 1 1 31 31 LEU CD1 C 13 27.800 0.5 . 1 . . . . 31 L CD1 . 15617 1 166 . 1 1 31 31 LEU CD2 C 13 24.000 0.5 . 1 . . . . 31 L CD2 . 15617 1 167 . 1 1 31 31 LEU N N 15 125.838 0.5 . 1 . . . . 31 L N . 15617 1 168 . 1 1 32 32 PHE H H 1 8.917 0.05 . 1 . . . . 32 F HN . 15617 1 169 . 1 1 32 32 PHE HA H 1 4.110 0.05 . 1 . . . . 32 F HA . 15617 1 170 . 1 1 32 32 PHE HB2 H 1 3.120 0.05 . 2 . . . . 32 F HB1 . 15617 1 171 . 1 1 32 32 PHE HB3 H 1 3.310 0.05 . 2 . . . . 32 F HB2 . 15617 1 172 . 1 1 32 32 PHE HD1 H 1 7.160 0.05 . 3 . . . . 32 F HD1 . 15617 1 173 . 1 1 32 32 PHE HE1 H 1 6.860 0.05 . 3 . . . . 32 F HE1 . 15617 1 174 . 1 1 32 32 PHE C C 13 172.700 0.5 . 1 . . . . 32 F C . 15617 1 175 . 1 1 32 32 PHE CA C 13 53.300 0.5 . 1 . . . . 32 F CA . 15617 1 176 . 1 1 32 32 PHE CB C 13 41.500 0.5 . 1 . . . . 32 F CB . 15617 1 177 . 1 1 32 32 PHE N N 15 127.438 0.5 . 1 . . . . 32 F N . 15617 1 178 . 1 1 33 33 VAL H H 1 9.238 0.05 . 1 . . . . 33 V HN . 15617 1 179 . 1 1 33 33 VAL HG11 H 1 0.510 0.05 . 2 . . . . 33 V HG11 . 15617 1 180 . 1 1 33 33 VAL HG12 H 1 0.510 0.05 . 2 . . . . 33 V HG11 . 15617 1 181 . 1 1 33 33 VAL HG13 H 1 0.510 0.05 . 2 . . . . 33 V HG11 . 15617 1 182 . 1 1 33 33 VAL HG21 H 1 0.770 0.05 . 2 . . . . 33 V HG21 . 15617 1 183 . 1 1 33 33 VAL HG22 H 1 0.770 0.05 . 2 . . . . 33 V HG21 . 15617 1 184 . 1 1 33 33 VAL HG23 H 1 0.770 0.05 . 2 . . . . 33 V HG21 . 15617 1 185 . 1 1 33 33 VAL C C 13 173.300 0.5 . 1 . . . . 33 V C . 15617 1 186 . 1 1 33 33 VAL CA C 13 60.100 0.5 . 1 . . . . 33 V CA . 15617 1 187 . 1 1 33 33 VAL CB C 13 33.100 0.5 . 1 . . . . 33 V CB . 15617 1 188 . 1 1 33 33 VAL CG1 C 13 20.500 0.5 . 1 . . . . 33 V CG1 . 15617 1 189 . 1 1 33 33 VAL CG2 C 13 21.700 0.5 . 1 . . . . 33 V CG2 . 15617 1 190 . 1 1 33 33 VAL N N 15 128.338 0.5 . 1 . . . . 33 V N . 15617 1 191 . 1 1 34 34 THR H H 1 8.738 0.05 . 1 . . . . 34 T HN . 15617 1 192 . 1 1 34 34 THR C C 13 173.300 0.5 . 1 . . . . 34 T C . 15617 1 193 . 1 1 34 34 THR CA C 13 57.400 0.5 . 1 . . . . 34 T CA . 15617 1 194 . 1 1 34 34 THR CB C 13 69.600 0.5 . 1 . . . . 34 T CB . 15617 1 195 . 1 1 34 34 THR N N 15 118.738 0.5 . 1 . . . . 34 T N . 15617 1 196 . 1 1 35 35 CYS H H 1 7.898 0.05 . 1 . . . . 35 C HN . 15617 1 197 . 1 1 35 35 CYS HG H 1 1.820 0.05 . 1 . . . . 35 C HG . 15617 1 198 . 1 1 35 35 CYS C C 13 175.000 0.5 . 1 . . . . 35 C C . 15617 1 199 . 1 1 35 35 CYS CA C 13 60.600 0.5 . 1 . . . . 35 C CA . 15617 1 200 . 1 1 35 35 CYS CB C 13 29.000 0.5 . 1 . . . . 35 C CB . 15617 1 201 . 1 1 35 35 CYS N N 15 123.838 0.5 . 1 . . . . 35 C N . 15617 1 202 . 1 1 36 36 GLY H H 1 8.748 0.05 . 1 . . . . 36 G HN . 15617 1 203 . 1 1 36 36 GLY CA C 13 44.400 0.5 . 1 . . . . 36 G CA . 15617 1 204 . 1 1 36 36 GLY N N 15 108.438 0.5 . 1 . . . . 36 G N . 15617 1 205 . 1 1 37 37 ALA HB1 H 1 1.410 0.05 . 1 . . . . 37 A HB1 . 15617 1 206 . 1 1 37 37 ALA HB2 H 1 1.410 0.05 . 1 . . . . 37 A HB1 . 15617 1 207 . 1 1 37 37 ALA HB3 H 1 1.410 0.05 . 1 . . . . 37 A HB1 . 15617 1 208 . 1 1 37 37 ALA C C 13 178.200 0.5 . 1 . . . . 37 A C . 15617 1 209 . 1 1 37 37 ALA CA C 13 53.500 0.5 . 1 . . . . 37 A CA . 15617 1 210 . 1 1 37 37 ALA CB C 13 20.900 0.5 . 1 . . . . 37 A CB . 15617 1 211 . 1 1 38 38 THR H H 1 8.377 0.05 . 1 . . . . 38 T HN . 15617 1 212 . 1 1 38 38 THR HA H 1 4.360 0.05 . 1 . . . . 38 T HA . 15617 1 213 . 1 1 38 38 THR HB H 1 4.120 0.05 . 1 . . . . 38 T HB . 15617 1 214 . 1 1 38 38 THR HG21 H 1 1.210 0.05 . 1 . . . . 38 T HG21 . 15617 1 215 . 1 1 38 38 THR HG22 H 1 1.210 0.05 . 1 . . . . 38 T HG21 . 15617 1 216 . 1 1 38 38 THR HG23 H 1 1.210 0.05 . 1 . . . . 38 T HG21 . 15617 1 217 . 1 1 38 38 THR C C 13 174.400 0.5 . 1 . . . . 38 T C . 15617 1 218 . 1 1 38 38 THR CA C 13 64.000 0.5 . 1 . . . . 38 T CA . 15617 1 219 . 1 1 38 38 THR CB C 13 70.000 0.5 . 1 . . . . 38 T CB . 15617 1 220 . 1 1 38 38 THR CG2 C 13 22.400 0.5 . 1 . . . . 38 T CG2 . 15617 1 221 . 1 1 38 38 THR N N 15 112.238 0.5 . 1 . . . . 38 T N . 15617 1 222 . 1 1 39 39 VAL H H 1 8.408 0.05 . 1 . . . . 39 V HN . 15617 1 223 . 1 1 39 39 VAL HG11 H 1 0.940 0.05 . 2 . . . . 39 V HG11 . 15617 1 224 . 1 1 39 39 VAL HG12 H 1 0.940 0.05 . 2 . . . . 39 V HG11 . 15617 1 225 . 1 1 39 39 VAL HG13 H 1 0.940 0.05 . 2 . . . . 39 V HG11 . 15617 1 226 . 1 1 39 39 VAL HG21 H 1 0.870 0.05 . 2 . . . . 39 V HG21 . 15617 1 227 . 1 1 39 39 VAL HG22 H 1 0.870 0.05 . 2 . . . . 39 V HG21 . 15617 1 228 . 1 1 39 39 VAL HG23 H 1 0.870 0.05 . 2 . . . . 39 V HG21 . 15617 1 229 . 1 1 39 39 VAL CA C 13 59.100 0.5 . 1 . . . . 39 V CA . 15617 1 230 . 1 1 39 39 VAL CB C 13 33.500 0.5 . 1 . . . . 39 V CB . 15617 1 231 . 1 1 39 39 VAL CG1 C 13 21.400 0.5 . 1 . . . . 39 V CG1 . 15617 1 232 . 1 1 39 39 VAL CG2 C 13 20.200 0.5 . 1 . . . . 39 V CG2 . 15617 1 233 . 1 1 39 39 VAL N N 15 121.138 0.5 . 1 . . . . 39 V N . 15617 1 234 . 1 1 40 40 PRO C C 13 175.100 0.5 . 1 . . . . 40 P C . 15617 1 235 . 1 1 40 40 PRO CA C 13 62.700 0.5 . 1 . . . . 40 P CA . 15617 1 236 . 1 1 40 40 PRO CB C 13 31.900 0.5 . 1 . . . . 40 P CB . 15617 1 237 . 1 1 41 41 PHE H H 1 8.980 0.05 . 1 . . . . 41 F HN . 15617 1 238 . 1 1 41 41 PHE HB2 H 1 3.590 0.05 . 2 . . . . 41 F HB1 . 15617 1 239 . 1 1 41 41 PHE HB3 H 1 3.090 0.05 . 2 . . . . 41 F HB2 . 15617 1 240 . 1 1 41 41 PHE HD1 H 1 7.090 0.05 . 3 . . . . 41 F HD1 . 15617 1 241 . 1 1 41 41 PHE HE1 H 1 7.350 0.05 . 3 . . . . 41 F HE1 . 15617 1 242 . 1 1 41 41 PHE C C 13 175.100 0.5 . 1 . . . . 41 F C . 15617 1 243 . 1 1 41 41 PHE N N 15 121.100 0.5 . 1 . . . . 41 F N . 15617 1 244 . 1 1 42 42 PRO C C 13 179.000 0.5 . 1 . . . . 42 P C . 15617 1 245 . 1 1 42 42 PRO CA C 13 65.400 0.5 . 1 . . . . 42 P CA . 15617 1 246 . 1 1 42 42 PRO CB C 13 31.600 0.5 . 1 . . . . 42 P CB . 15617 1 247 . 1 1 43 43 LYS H H 1 8.648 0.05 . 1 . . . . 43 K HN . 15617 1 248 . 1 1 43 43 LYS C C 13 178.200 0.5 . 1 . . . . 43 K C . 15617 1 249 . 1 1 43 43 LYS CA C 13 59.500 0.5 . 1 . . . . 43 K CA . 15617 1 250 . 1 1 43 43 LYS CB C 13 32.700 0.5 . 1 . . . . 43 K CB . 15617 1 251 . 1 1 43 43 LYS N N 15 115.938 0.5 . 1 . . . . 43 K N . 15617 1 252 . 1 1 44 44 LEU H H 1 6.177 0.05 . 1 . . . . 44 L HN . 15617 1 253 . 1 1 44 44 LEU HA H 1 3.300 0.05 . 1 . . . . 44 L HA . 15617 1 254 . 1 1 44 44 LEU HD11 H 1 0.360 0.05 . 2 . . . . 44 L HD11 . 15617 1 255 . 1 1 44 44 LEU HD12 H 1 0.360 0.05 . 2 . . . . 44 L HD11 . 15617 1 256 . 1 1 44 44 LEU HD13 H 1 0.360 0.05 . 2 . . . . 44 L HD11 . 15617 1 257 . 1 1 44 44 LEU HD21 H 1 0.420 0.05 . 2 . . . . 44 L HD21 . 15617 1 258 . 1 1 44 44 LEU HD22 H 1 0.420 0.05 . 2 . . . . 44 L HD21 . 15617 1 259 . 1 1 44 44 LEU HD23 H 1 0.420 0.05 . 2 . . . . 44 L HD21 . 15617 1 260 . 1 1 44 44 LEU C C 13 176.800 0.5 . 1 . . . . 44 L C . 15617 1 261 . 1 1 44 44 LEU CA C 13 57.800 0.5 . 1 . . . . 44 L CA . 15617 1 262 . 1 1 44 44 LEU CB C 13 38.300 0.5 . 1 . . . . 44 L CB . 15617 1 263 . 1 1 44 44 LEU CD1 C 13 25.800 0.5 . 1 . . . . 44 L CD1 . 15617 1 264 . 1 1 44 44 LEU CD2 C 13 23.200 0.5 . 1 . . . . 44 L CD2 . 15617 1 265 . 1 1 44 44 LEU N N 15 117.738 0.5 . 1 . . . . 44 L N . 15617 1 266 . 1 1 45 45 VAL H H 1 6.657 0.05 . 1 . . . . 45 V HN . 15617 1 267 . 1 1 45 45 VAL HG11 H 1 0.680 0.05 . 2 . . . . 45 V HG11 . 15617 1 268 . 1 1 45 45 VAL HG12 H 1 0.680 0.05 . 2 . . . . 45 V HG11 . 15617 1 269 . 1 1 45 45 VAL HG13 H 1 0.680 0.05 . 2 . . . . 45 V HG11 . 15617 1 270 . 1 1 45 45 VAL HG21 H 1 1.010 0.05 . 2 . . . . 45 V HG21 . 15617 1 271 . 1 1 45 45 VAL HG22 H 1 1.010 0.05 . 2 . . . . 45 V HG21 . 15617 1 272 . 1 1 45 45 VAL HG23 H 1 1.010 0.05 . 2 . . . . 45 V HG21 . 15617 1 273 . 1 1 45 45 VAL C C 13 176.500 0.5 . 1 . . . . 45 V C . 15617 1 274 . 1 1 45 45 VAL CA C 13 66.500 0.5 . 1 . . . . 45 V CA . 15617 1 275 . 1 1 45 45 VAL CB C 13 30.600 0.5 . 1 . . . . 45 V CB . 15617 1 276 . 1 1 45 45 VAL CG1 C 13 23.300 0.5 . 1 . . . . 45 V CG1 . 15617 1 277 . 1 1 45 45 VAL CG2 C 13 22.800 0.5 . 1 . . . . 45 V CG2 . 15617 1 278 . 1 1 45 45 VAL N N 15 114.938 0.5 . 1 . . . . 45 V N . 15617 1 279 . 1 1 46 46 SER H H 1 8.108 0.05 . 1 . . . . 46 S HN . 15617 1 280 . 1 1 46 46 SER C C 13 177.400 0.5 . 1 . . . . 46 S C . 15617 1 281 . 1 1 46 46 SER CA C 13 61.600 0.5 . 1 . . . . 46 S CA . 15617 1 282 . 1 1 46 46 SER CB C 13 63.400 0.5 . 1 . . . . 46 S CB . 15617 1 283 . 1 1 46 46 SER N N 15 110.200 0.5 . 1 . . . . 46 S N . 15617 1 284 . 1 1 47 47 CYS H H 1 7.568 0.05 . 1 . . . . 47 C HN . 15617 1 285 . 1 1 47 47 CYS C C 13 178.000 0.5 . 1 . . . . 47 C C . 15617 1 286 . 1 1 47 47 CYS CA C 13 64.100 0.5 . 1 . . . . 47 C CA . 15617 1 287 . 1 1 47 47 CYS CB C 13 28.400 0.5 . 1 . . . . 47 C CB . 15617 1 288 . 1 1 47 47 CYS N N 15 116.738 0.5 . 1 . . . . 47 C N . 15617 1 289 . 1 1 48 48 VAL H H 1 7.628 0.05 . 1 . . . . 48 V HN . 15617 1 290 . 1 1 48 48 VAL HG11 H 1 0.430 0.05 . 2 . . . . 48 V HG11 . 15617 1 291 . 1 1 48 48 VAL HG12 H 1 0.430 0.05 . 2 . . . . 48 V HG11 . 15617 1 292 . 1 1 48 48 VAL HG13 H 1 0.430 0.05 . 2 . . . . 48 V HG11 . 15617 1 293 . 1 1 48 48 VAL HG21 H 1 0.700 0.05 . 2 . . . . 48 V HG21 . 15617 1 294 . 1 1 48 48 VAL HG22 H 1 0.700 0.05 . 2 . . . . 48 V HG21 . 15617 1 295 . 1 1 48 48 VAL HG23 H 1 0.700 0.05 . 2 . . . . 48 V HG21 . 15617 1 296 . 1 1 48 48 VAL C C 13 173.500 0.5 . 1 . . . . 48 V C . 15617 1 297 . 1 1 48 48 VAL CA C 13 63.900 0.5 . 1 . . . . 48 V CA . 15617 1 298 . 1 1 48 48 VAL CB C 13 30.100 0.5 . 1 . . . . 48 V CB . 15617 1 299 . 1 1 48 48 VAL CG1 C 13 21.500 0.5 . 1 . . . . 48 V CG1 . 15617 1 300 . 1 1 48 48 VAL CG2 C 13 20.600 0.5 . 1 . . . . 48 V CG2 . 15617 1 301 . 1 1 48 48 VAL N N 15 116.338 0.5 . 1 . . . . 48 V N . 15617 1 302 . 1 1 49 49 LEU H H 1 6.718 0.05 . 1 . . . . 49 L HN . 15617 1 303 . 1 1 49 49 LEU HD11 H 1 0.550 0.05 . 2 . . . . 49 L HD11 . 15617 1 304 . 1 1 49 49 LEU HD12 H 1 0.550 0.05 . 2 . . . . 49 L HD11 . 15617 1 305 . 1 1 49 49 LEU HD13 H 1 0.550 0.05 . 2 . . . . 49 L HD11 . 15617 1 306 . 1 1 49 49 LEU HD21 H 1 0.490 0.05 . 2 . . . . 49 L HD21 . 15617 1 307 . 1 1 49 49 LEU HD22 H 1 0.490 0.05 . 2 . . . . 49 L HD21 . 15617 1 308 . 1 1 49 49 LEU HD23 H 1 0.490 0.05 . 2 . . . . 49 L HD21 . 15617 1 309 . 1 1 49 49 LEU C C 13 176.600 0.5 . 1 . . . . 49 L C . 15617 1 310 . 1 1 49 49 LEU CA C 13 53.000 0.5 . 1 . . . . 49 L CA . 15617 1 311 . 1 1 49 49 LEU CB C 13 40.900 0.5 . 1 . . . . 49 L CB . 15617 1 312 . 1 1 49 49 LEU CD1 C 13 23.100 0.5 . 1 . . . . 49 L CD1 . 15617 1 313 . 1 1 49 49 LEU CD2 C 13 26.900 0.5 . 1 . . . . 49 L CD2 . 15617 1 314 . 1 1 49 49 LEU N N 15 113.038 0.5 . 1 . . . . 49 L N . 15617 1 315 . 1 1 50 50 SER H H 1 7.378 0.05 . 1 . . . . 50 S HN . 15617 1 316 . 1 1 50 50 SER C C 13 174.400 0.5 . 1 . . . . 50 S C . 15617 1 317 . 1 1 50 50 SER CA C 13 58.800 0.5 . 1 . . . . 50 S CA . 15617 1 318 . 1 1 50 50 SER CB C 13 65.100 0.5 . 1 . . . . 50 S CB . 15617 1 319 . 1 1 50 50 SER N N 15 116.138 0.5 . 1 . . . . 50 S N . 15617 1 320 . 1 1 51 51 ASP H H 1 8.958 0.05 . 1 . . . . 51 D HN . 15617 1 321 . 1 1 51 51 ASP HA H 1 4.240 0.05 . 1 . . . . 51 D HA . 15617 1 322 . 1 1 51 51 ASP HB2 H 1 2.560 0.05 . 2 . . . . 51 D HB1 . 15617 1 323 . 1 1 51 51 ASP HB3 H 1 2.590 0.05 . 2 . . . . 51 D HB2 . 15617 1 324 . 1 1 51 51 ASP C C 13 178.400 0.5 . 1 . . . . 51 D C . 15617 1 325 . 1 1 51 51 ASP CA C 13 58.400 0.5 . 1 . . . . 51 D CA . 15617 1 326 . 1 1 51 51 ASP CB C 13 41.100 0.5 . 1 . . . . 51 D CB . 15617 1 327 . 1 1 51 51 ASP N N 15 123.538 0.5 . 1 . . . . 51 D N . 15617 1 328 . 1 1 52 52 GLU H H 1 9.347 0.05 . 1 . . . . 52 E HN . 15617 1 329 . 1 1 52 52 GLU HA H 1 3.870 0.05 . 1 . . . . 52 E HA . 15617 1 330 . 1 1 52 52 GLU HG2 H 1 2.370 0.05 . 2 . . . . 52 E HG1 . 15617 1 331 . 1 1 52 52 GLU HG3 H 1 2.280 0.05 . 2 . . . . 52 E HG2 . 15617 1 332 . 1 1 52 52 GLU C C 13 179.100 0.5 . 1 . . . . 52 E C . 15617 1 333 . 1 1 52 52 GLU CA C 13 60.200 0.5 . 1 . . . . 52 E CA . 15617 1 334 . 1 1 52 52 GLU CB C 13 28.500 0.5 . 1 . . . . 52 E CB . 15617 1 335 . 1 1 52 52 GLU CG C 13 36.800 0.5 . 1 . . . . 52 E CG . 15617 1 336 . 1 1 52 52 GLU N N 15 116.138 0.5 . 1 . . . . 52 E N . 15617 1 337 . 1 1 53 53 PHE H H 1 7.948 0.05 . 1 . . . . 53 F HN . 15617 1 338 . 1 1 53 53 PHE HB2 H 1 2.730 0.05 . 2 . . . . 53 F HB1 . 15617 1 339 . 1 1 53 53 PHE HB3 H 1 3.210 0.05 . 2 . . . . 53 F HB2 . 15617 1 340 . 1 1 53 53 PHE HD1 H 1 7.320 0.05 . 3 . . . . 53 F HD1 . 15617 1 341 . 1 1 53 53 PHE HE1 H 1 6.900 0.05 . 3 . . . . 53 F HE1 . 15617 1 342 . 1 1 53 53 PHE HZ H 1 6.640 0.05 . 1 . . . . 53 F HZ . 15617 1 343 . 1 1 53 53 PHE C C 13 177.200 0.5 . 1 . . . . 53 F C . 15617 1 344 . 1 1 53 53 PHE CA C 13 62.600 0.5 . 1 . . . . 53 F CA . 15617 1 345 . 1 1 53 53 PHE CB C 13 39.300 0.5 . 1 . . . . 53 F CB . 15617 1 346 . 1 1 53 53 PHE N N 15 120.238 0.5 . 1 . . . . 53 F N . 15617 1 347 . 1 1 54 54 CYS H H 1 8.448 0.05 . 1 . . . . 54 C HN . 15617 1 348 . 1 1 54 54 CYS C C 13 176.900 0.5 . 1 . . . . 54 C C . 15617 1 349 . 1 1 54 54 CYS CA C 13 65.300 0.5 . 1 . . . . 54 C CA . 15617 1 350 . 1 1 54 54 CYS CB C 13 27.400 0.5 . 1 . . . . 54 C CB . 15617 1 351 . 1 1 54 54 CYS N N 15 115.938 0.5 . 1 . . . . 54 C N . 15617 1 352 . 1 1 55 55 GLN H H 1 8.517 0.05 . 1 . . . . 55 Q HN . 15617 1 353 . 1 1 55 55 GLN HG2 H 1 2.380 0.05 . 2 . . . . 55 Q HG2 . 15617 1 354 . 1 1 55 55 GLN C C 13 178.800 0.5 . 1 . . . . 55 Q C . 15617 1 355 . 1 1 55 55 GLN CA C 13 59.100 0.5 . 1 . . . . 55 Q CA . 15617 1 356 . 1 1 55 55 GLN CB C 13 27.800 0.5 . 1 . . . . 55 Q CB . 15617 1 357 . 1 1 55 55 GLN N N 15 117.238 0.5 . 1 . . . . 55 Q N . 15617 1 358 . 1 1 56 56 GLU H H 1 7.168 0.05 . 1 . . . . 56 E HN . 15617 1 359 . 1 1 56 56 GLU HG2 H 1 2.250 0.05 . 2 . . . . 56 E HG2 . 15617 1 360 . 1 1 56 56 GLU C C 13 178.300 0.5 . 1 . . . . 56 E C . 15617 1 361 . 1 1 56 56 GLU CA C 13 59.000 0.5 . 1 . . . . 56 E CA . 15617 1 362 . 1 1 56 56 GLU CB C 13 28.100 0.5 . 1 . . . . 56 E CB . 15617 1 363 . 1 1 56 56 GLU N N 15 120.338 0.5 . 1 . . . . 56 E N . 15617 1 364 . 1 1 57 57 LEU H H 1 8.017 0.05 . 1 . . . . 57 L HN . 15617 1 365 . 1 1 57 57 LEU HB2 H 1 1.950 0.05 . 2 . . . . 57 L HB2 . 15617 1 366 . 1 1 57 57 LEU HD11 H 1 0.670 0.05 . 2 . . . . 57 L HD11 . 15617 1 367 . 1 1 57 57 LEU HD12 H 1 0.670 0.05 . 2 . . . . 57 L HD11 . 15617 1 368 . 1 1 57 57 LEU HD13 H 1 0.670 0.05 . 2 . . . . 57 L HD11 . 15617 1 369 . 1 1 57 57 LEU HD21 H 1 0.230 0.05 . 2 . . . . 57 L HD21 . 15617 1 370 . 1 1 57 57 LEU HD22 H 1 0.230 0.05 . 2 . . . . 57 L HD21 . 15617 1 371 . 1 1 57 57 LEU HD23 H 1 0.230 0.05 . 2 . . . . 57 L HD21 . 15617 1 372 . 1 1 57 57 LEU C C 13 179.900 0.5 . 1 . . . . 57 L C . 15617 1 373 . 1 1 57 57 LEU CA C 13 58.300 0.5 . 1 . . . . 57 L CA . 15617 1 374 . 1 1 57 57 LEU CB C 13 40.900 0.5 . 1 . . . . 57 L CB . 15617 1 375 . 1 1 57 57 LEU CD1 C 13 26.800 0.5 . 1 . . . . 57 L CD1 . 15617 1 376 . 1 1 57 57 LEU CD2 C 13 24.000 0.5 . 1 . . . . 57 L CD2 . 15617 1 377 . 1 1 57 57 LEU N N 15 117.938 0.5 . 1 . . . . 57 L N . 15617 1 378 . 1 1 58 58 ILE H H 1 7.747 0.05 . 1 . . . . 58 I HN . 15617 1 379 . 1 1 58 58 ILE HA H 1 4.040 0.05 . 1 . . . . 58 I HA . 15617 1 380 . 1 1 58 58 ILE HB H 1 1.960 0.05 . 1 . . . . 58 I HB . 15617 1 381 . 1 1 58 58 ILE HD11 H 1 0.800 0.05 . 1 . . . . 58 I HD11 . 15617 1 382 . 1 1 58 58 ILE HD12 H 1 0.800 0.05 . 1 . . . . 58 I HD11 . 15617 1 383 . 1 1 58 58 ILE HD13 H 1 0.800 0.05 . 1 . . . . 58 I HD11 . 15617 1 384 . 1 1 58 58 ILE HG12 H 1 1.300 0.05 . 1 . . . . 58 I HG11 . 15617 1 385 . 1 1 58 58 ILE HG13 H 1 1.600 0.05 . 1 . . . . 58 I HG12 . 15617 1 386 . 1 1 58 58 ILE HG21 H 1 0.910 0.05 . 1 . . . . 58 I HG21 . 15617 1 387 . 1 1 58 58 ILE HG22 H 1 0.910 0.05 . 1 . . . . 58 I HG21 . 15617 1 388 . 1 1 58 58 ILE HG23 H 1 0.910 0.05 . 1 . . . . 58 I HG21 . 15617 1 389 . 1 1 58 58 ILE C C 13 180.900 0.5 . 1 . . . . 58 I C . 15617 1 390 . 1 1 58 58 ILE CA C 13 64.000 0.5 . 1 . . . . 58 I CA . 15617 1 391 . 1 1 58 58 ILE CB C 13 37.400 0.5 . 1 . . . . 58 I CB . 15617 1 392 . 1 1 58 58 ILE CD1 C 13 14.300 0.5 . 1 . . . . 58 I CD1 . 15617 1 393 . 1 1 58 58 ILE CG2 C 13 17.600 0.5 . 1 . . . . 58 I CG2 . 15617 1 394 . 1 1 58 58 ILE N N 15 116.638 0.5 . 1 . . . . 58 I N . 15617 1 395 . 1 1 59 59 GLN H H 1 7.707 0.05 . 1 . . . . 59 Q HN . 15617 1 396 . 1 1 59 59 GLN HG2 H 1 2.220 0.05 . 1 . . . . 59 Q HG2 . 15617 1 397 . 1 1 59 59 GLN C C 13 177.500 0.5 . 1 . . . . 59 Q C . 15617 1 398 . 1 1 59 59 GLN CA C 13 58.300 0.5 . 1 . . . . 59 Q CA . 15617 1 399 . 1 1 59 59 GLN CB C 13 27.600 0.5 . 1 . . . . 59 Q CB . 15617 1 400 . 1 1 59 59 GLN N N 15 121.638 0.5 . 1 . . . . 59 Q N . 15617 1 401 . 1 1 60 60 TYR H H 1 7.617 0.05 . 1 . . . . 60 Y HN . 15617 1 402 . 1 1 60 60 TYR C C 13 175.000 0.5 . 1 . . . . 60 Y C . 15617 1 403 . 1 1 60 60 TYR CA C 13 59.100 0.5 . 1 . . . . 60 Y CA . 15617 1 404 . 1 1 60 60 TYR CB C 13 37.900 0.5 . 1 . . . . 60 Y CB . 15617 1 405 . 1 1 60 60 TYR N N 15 115.538 0.5 . 1 . . . . 60 Y N . 15617 1 406 . 1 1 61 61 GLY H H 1 7.867 0.05 . 1 . . . . 61 G HN . 15617 1 407 . 1 1 61 61 GLY C C 13 174.200 0.5 . 1 . . . . 61 G C . 15617 1 408 . 1 1 61 61 GLY CA C 13 46.000 0.5 . 1 . . . . 61 G CA . 15617 1 409 . 1 1 61 61 GLY N N 15 106.438 0.5 . 1 . . . . 61 G N . 15617 1 410 . 1 1 62 62 PHE H H 1 8.108 0.05 . 1 . . . . 62 F HN . 15617 1 411 . 1 1 62 62 PHE HB2 H 1 2.490 0.05 . 2 . . . . 62 F HB1 . 15617 1 412 . 1 1 62 62 PHE HB3 H 1 3.000 0.05 . 2 . . . . 62 F HB2 . 15617 1 413 . 1 1 62 62 PHE HD1 H 1 7.180 0.05 . 3 . . . . 62 F HD1 . 15617 1 414 . 1 1 62 62 PHE HE1 H 1 6.970 0.05 . 3 . . . . 62 F HE1 . 15617 1 415 . 1 1 62 62 PHE C C 13 175.500 0.5 . 1 . . . . 62 F C . 15617 1 416 . 1 1 62 62 PHE CA C 13 58.800 0.5 . 1 . . . . 62 F CA . 15617 1 417 . 1 1 62 62 PHE CB C 13 39.700 0.5 . 1 . . . . 62 F CB . 15617 1 418 . 1 1 62 62 PHE N N 15 118.238 0.5 . 1 . . . . 62 F N . 15617 1 419 . 1 1 63 63 VAL H H 1 8.587 0.05 . 1 . . . . 63 V HN . 15617 1 420 . 1 1 63 63 VAL HG11 H 1 1.000 0.05 . 2 . . . . 63 V HG11 . 15617 1 421 . 1 1 63 63 VAL HG12 H 1 1.000 0.05 . 2 . . . . 63 V HG11 . 15617 1 422 . 1 1 63 63 VAL HG13 H 1 1.000 0.05 . 2 . . . . 63 V HG11 . 15617 1 423 . 1 1 63 63 VAL HG21 H 1 0.900 0.05 . 2 . . . . 63 V HG21 . 15617 1 424 . 1 1 63 63 VAL HG22 H 1 0.900 0.05 . 2 . . . . 63 V HG21 . 15617 1 425 . 1 1 63 63 VAL HG23 H 1 0.900 0.05 . 2 . . . . 63 V HG21 . 15617 1 426 . 1 1 63 63 VAL C C 13 175.600 0.5 . 1 . . . . 63 V C . 15617 1 427 . 1 1 63 63 VAL CA C 13 60.800 0.5 . 1 . . . . 63 V CA . 15617 1 428 . 1 1 63 63 VAL CB C 13 33.000 0.5 . 1 . . . . 63 V CB . 15617 1 429 . 1 1 63 63 VAL CG1 C 13 21.500 0.5 . 1 . . . . 63 V CG1 . 15617 1 430 . 1 1 63 63 VAL CG2 C 13 19.220 0.5 . 1 . . . . 63 V CG2 . 15617 1 431 . 1 1 63 63 VAL N N 15 111.438 0.5 . 1 . . . . 63 V N . 15617 1 432 . 1 1 64 64 ARG H H 1 7.798 0.05 . 1 . . . . 64 R HN . 15617 1 433 . 1 1 64 64 ARG C C 13 172.800 0.5 . 1 . . . . 64 R C . 15617 1 434 . 1 1 64 64 ARG CA C 13 55.100 0.5 . 1 . . . . 64 R CA . 15617 1 435 . 1 1 64 64 ARG CB C 13 34.200 0.5 . 1 . . . . 64 R CB . 15617 1 436 . 1 1 64 64 ARG N N 15 121.438 0.5 . 1 . . . . 64 R N . 15617 1 437 . 1 1 65 65 LEU H H 1 9.208 0.05 . 1 . . . . 65 L HN . 15617 1 438 . 1 1 65 65 LEU HA H 1 5.550 0.05 . 1 . . . . 65 L HA . 15617 1 439 . 1 1 65 65 LEU HD11 H 1 0.800 0.05 . 2 . . . . 65 L HD11 . 15617 1 440 . 1 1 65 65 LEU HD12 H 1 0.800 0.05 . 2 . . . . 65 L HD11 . 15617 1 441 . 1 1 65 65 LEU HD13 H 1 0.800 0.05 . 2 . . . . 65 L HD11 . 15617 1 442 . 1 1 65 65 LEU HD21 H 1 0.850 0.05 . 2 . . . . 65 L HD21 . 15617 1 443 . 1 1 65 65 LEU HD22 H 1 0.850 0.05 . 2 . . . . 65 L HD21 . 15617 1 444 . 1 1 65 65 LEU HD23 H 1 0.850 0.05 . 2 . . . . 65 L HD21 . 15617 1 445 . 1 1 65 65 LEU C C 13 173.500 0.5 . 1 . . . . 65 L C . 15617 1 446 . 1 1 65 65 LEU CA C 13 54.100 0.5 . 1 . . . . 65 L CA . 15617 1 447 . 1 1 65 65 LEU CB C 13 44.800 0.5 . 1 . . . . 65 L CB . 15617 1 448 . 1 1 65 65 LEU CD1 C 13 26.200 0.5 . 1 . . . . 65 L CD1 . 15617 1 449 . 1 1 65 65 LEU CD2 C 13 24.700 0.5 . 1 . . . . 65 L CD2 . 15617 1 450 . 1 1 65 65 LEU N N 15 127.438 0.5 . 1 . . . . 65 L N . 15617 1 451 . 1 1 66 66 ILE H H 1 9.488 0.05 . 1 . . . . 66 I HN . 15617 1 452 . 1 1 66 66 ILE HD11 H 1 0.770 0.05 . 1 . . . . 66 I HD11 . 15617 1 453 . 1 1 66 66 ILE HD12 H 1 0.770 0.05 . 1 . . . . 66 I HD11 . 15617 1 454 . 1 1 66 66 ILE HD13 H 1 0.770 0.05 . 1 . . . . 66 I HD11 . 15617 1 455 . 1 1 66 66 ILE HG12 H 1 1.930 0.05 . 1 . . . . 66 I HG11 . 15617 1 456 . 1 1 66 66 ILE HG13 H 1 1.630 0.05 . 1 . . . . 66 I HG12 . 15617 1 457 . 1 1 66 66 ILE HG21 H 1 0.770 0.05 . 1 . . . . 66 I HG21 . 15617 1 458 . 1 1 66 66 ILE HG22 H 1 0.770 0.05 . 1 . . . . 66 I HG21 . 15617 1 459 . 1 1 66 66 ILE HG23 H 1 0.770 0.05 . 1 . . . . 66 I HG21 . 15617 1 460 . 1 1 66 66 ILE C C 13 174.400 0.5 . 1 . . . . 66 I C . 15617 1 461 . 1 1 66 66 ILE CA C 13 60.300 0.5 . 1 . . . . 66 I CA . 15617 1 462 . 1 1 66 66 ILE CB C 13 39.800 0.5 . 1 . . . . 66 I CB . 15617 1 463 . 1 1 66 66 ILE CD1 C 13 14.000 0.5 . 1 . . . . 66 I CD1 . 15617 1 464 . 1 1 66 66 ILE CG2 C 13 19.300 0.5 . 1 . . . . 66 I CG2 . 15617 1 465 . 1 1 66 66 ILE N N 15 127.338 0.5 . 1 . . . . 66 I N . 15617 1 466 . 1 1 67 67 ILE H H 1 9.358 0.05 . 1 . . . . 67 I HN . 15617 1 467 . 1 1 67 67 ILE HD11 H 1 0.830 0.05 . 1 . . . . 67 I HD11 . 15617 1 468 . 1 1 67 67 ILE HD12 H 1 0.830 0.05 . 1 . . . . 67 I HD11 . 15617 1 469 . 1 1 67 67 ILE HD13 H 1 0.830 0.05 . 1 . . . . 67 I HD11 . 15617 1 470 . 1 1 67 67 ILE HG12 H 1 1.550 0.05 . 1 . . . . 67 I HG12 . 15617 1 471 . 1 1 67 67 ILE HG21 H 1 0.620 0.05 . 1 . . . . 67 I HG21 . 15617 1 472 . 1 1 67 67 ILE HG22 H 1 0.620 0.05 . 1 . . . . 67 I HG21 . 15617 1 473 . 1 1 67 67 ILE HG23 H 1 0.620 0.05 . 1 . . . . 67 I HG21 . 15617 1 474 . 1 1 67 67 ILE CA C 13 59.700 0.5 . 1 . . . . 67 I CA . 15617 1 475 . 1 1 67 67 ILE CB C 13 40.500 0.5 . 1 . . . . 67 I CB . 15617 1 476 . 1 1 67 67 ILE CD1 C 13 14.400 0.5 . 1 . . . . 67 I CD1 . 15617 1 477 . 1 1 67 67 ILE CG2 C 13 17.700 0.5 . 1 . . . . 67 I CG2 . 15617 1 478 . 1 1 67 67 ILE N N 15 125.708 0.5 . 1 . . . . 67 I N . 15617 1 479 . 1 1 68 68 GLN H H 1 8.570 0.05 . 1 . . . . 68 Q HN . 15617 1 480 . 1 1 68 68 GLN N N 15 128.600 0.5 . 1 . . . . 68 Q N . 15617 1 481 . 1 1 69 69 PHE HD1 H 1 6.950 0.05 . 3 . . . . 69 F HD1 . 15617 1 482 . 1 1 69 69 PHE HE1 H 1 7.140 0.05 . 3 . . . . 69 F HE1 . 15617 1 483 . 1 1 71 71 ARG H H 1 8.360 0.05 . 1 . . . . 71 R HN . 15617 1 484 . 1 1 71 71 ARG CA C 13 56.800 0.5 . 1 . . . . 71 R CA . 15617 1 485 . 1 1 71 71 ARG CB C 13 32.000 0.5 . 1 . . . . 71 R CB . 15617 1 486 . 1 1 71 71 ARG N N 15 122.700 0.5 . 1 . . . . 71 R N . 15617 1 487 . 1 1 72 72 ASN H H 1 8.380 0.05 . 1 . . . . 72 N HN . 15617 1 488 . 1 1 72 72 ASN HD21 H 1 6.940 0.05 . 2 . . . . 72 N HD21 . 15617 1 489 . 1 1 72 72 ASN HD22 H 1 7.510 0.05 . 2 . . . . 72 N HD22 . 15617 1 490 . 1 1 72 72 ASN CA C 13 58.800 0.5 . 1 . . . . 72 N CA . 15617 1 491 . 1 1 72 72 ASN CB C 13 38.200 0.5 . 1 . . . . 72 N CB . 15617 1 492 . 1 1 72 72 ASN N N 15 123.400 0.5 . 1 . . . . 72 N N . 15617 1 493 . 1 1 72 72 ASN ND2 N 15 111.000 0.5 . 1 . . . . 72 N ND2 . 15617 1 494 . 1 1 77 77 PHE HB2 H 1 2.500 0.05 . 2 . . . . 77 F HB1 . 15617 1 495 . 1 1 77 77 PHE HB3 H 1 2.180 0.05 . 2 . . . . 77 F HB2 . 15617 1 496 . 1 1 77 77 PHE HD1 H 1 6.940 0.05 . 3 . . . . 77 F HD1 . 15617 1 497 . 1 1 77 77 PHE HE1 H 1 7.130 0.05 . 3 . . . . 77 F HE1 . 15617 1 498 . 1 1 80 80 LEU H H 1 7.690 0.05 . 1 . . . . 80 L HN . 15617 1 499 . 1 1 80 80 LEU HD11 H 1 0.750 0.05 . 2 . . . . 80 L HD11 . 15617 1 500 . 1 1 80 80 LEU HD12 H 1 0.750 0.05 . 2 . . . . 80 L HD11 . 15617 1 501 . 1 1 80 80 LEU HD13 H 1 0.750 0.05 . 2 . . . . 80 L HD11 . 15617 1 502 . 1 1 80 80 LEU HD21 H 1 0.790 0.05 . 2 . . . . 80 L HD21 . 15617 1 503 . 1 1 80 80 LEU HD22 H 1 0.790 0.05 . 2 . . . . 80 L HD21 . 15617 1 504 . 1 1 80 80 LEU HD23 H 1 0.790 0.05 . 2 . . . . 80 L HD21 . 15617 1 505 . 1 1 80 80 LEU CA C 13 57.500 0.5 . 1 . . . . 80 L CA . 15617 1 506 . 1 1 80 80 LEU CB C 13 41.300 0.5 . 1 . . . . 80 L CB . 15617 1 507 . 1 1 80 80 LEU CD1 C 13 24.600 0.5 . 1 . . . . 80 L CD1 . 15617 1 508 . 1 1 80 80 LEU CD2 C 13 25.200 0.5 . 1 . . . . 80 L CD2 . 15617 1 509 . 1 1 80 80 LEU CG C 13 25.900 0.5 . 1 . . . . 80 L CG . 15617 1 510 . 1 1 80 80 LEU N N 15 116.700 0.5 . 1 . . . . 80 L N . 15617 1 511 . 1 1 81 81 VAL H H 1 7.680 0.05 . 1 . . . . 81 V HN . 15617 1 512 . 1 1 81 81 VAL HG11 H 1 -0.200 0.05 . 2 . . . . 81 V HG11 . 15617 1 513 . 1 1 81 81 VAL HG12 H 1 -0.200 0.05 . 2 . . . . 81 V HG11 . 15617 1 514 . 1 1 81 81 VAL HG13 H 1 -0.200 0.05 . 2 . . . . 81 V HG11 . 15617 1 515 . 1 1 81 81 VAL HG21 H 1 -0.100 0.05 . 2 . . . . 81 V HG21 . 15617 1 516 . 1 1 81 81 VAL HG22 H 1 -0.100 0.05 . 2 . . . . 81 V HG21 . 15617 1 517 . 1 1 81 81 VAL HG23 H 1 -0.100 0.05 . 2 . . . . 81 V HG21 . 15617 1 518 . 1 1 81 81 VAL CA C 13 66.500 0.5 . 1 . . . . 81 V CA . 15617 1 519 . 1 1 81 81 VAL CB C 13 30.600 0.5 . 1 . . . . 81 V CB . 15617 1 520 . 1 1 81 81 VAL CG1 C 13 22.300 0.5 . 1 . . . . 81 V CG1 . 15617 1 521 . 1 1 81 81 VAL CG2 C 13 21.500 0.5 . 1 . . . . 81 V CG2 . 15617 1 522 . 1 1 81 81 VAL N N 15 116.200 0.5 . 1 . . . . 81 V N . 15617 1 523 . 1 1 82 82 GLN H H 1 7.710 0.05 . 1 . . . . 82 Q HN . 15617 1 524 . 1 1 82 82 GLN C C 13 180.500 0.5 . 1 . . . . 82 Q C . 15617 1 525 . 1 1 82 82 GLN N N 15 119.300 0.5 . 1 . . . . 82 Q N . 15617 1 526 . 1 1 83 83 GLU H H 1 8.208 0.05 . 1 . . . . 83 E HN . 15617 1 527 . 1 1 83 83 GLU HB2 H 1 2.120 0.05 . 2 . . . . 83 E HB2 . 15617 1 528 . 1 1 83 83 GLU HG2 H 1 2.120 0.05 . 2 . . . . 83 E HG2 . 15617 1 529 . 1 1 83 83 GLU C C 13 178.100 0.5 . 1 . . . . 83 E C . 15617 1 530 . 1 1 83 83 GLU CA C 13 59.100 0.5 . 1 . . . . 83 E CA . 15617 1 531 . 1 1 83 83 GLU CB C 13 28.800 0.5 . 1 . . . . 83 E CB . 15617 1 532 . 1 1 83 83 GLU N N 15 122.038 0.5 . 1 . . . . 83 E N . 15617 1 533 . 1 1 84 84 ARG H H 1 7.278 0.05 . 1 . . . . 84 R HN . 15617 1 534 . 1 1 84 84 ARG C C 13 175.900 0.5 . 1 . . . . 84 R C . 15617 1 535 . 1 1 84 84 ARG CA C 13 54.600 0.5 . 1 . . . . 84 R CA . 15617 1 536 . 1 1 84 84 ARG CB C 13 29.200 0.5 . 1 . . . . 84 R CB . 15617 1 537 . 1 1 84 84 ARG N N 15 116.038 0.5 . 1 . . . . 84 R N . 15617 1 538 . 1 1 85 85 GLY H H 1 7.798 0.05 . 1 . . . . 85 G HN . 15617 1 539 . 1 1 85 85 GLY C C 13 175.700 0.5 . 1 . . . . 85 G C . 15617 1 540 . 1 1 85 85 GLY CA C 13 45.600 0.5 . 1 . . . . 85 G CA . 15617 1 541 . 1 1 85 85 GLY N N 15 106.938 0.5 . 1 . . . . 85 G N . 15617 1 542 . 1 1 86 86 GLY H H 1 8.337 0.05 . 1 . . . . 86 G HN . 15617 1 543 . 1 1 86 86 GLY C C 13 172.800 0.5 . 1 . . . . 86 G C . 15617 1 544 . 1 1 86 86 GLY CA C 13 45.700 0.5 . 1 . . . . 86 G CA . 15617 1 545 . 1 1 86 86 GLY N N 15 107.238 0.5 . 1 . . . . 86 G N . 15617 1 546 . 1 1 87 87 GLN H H 1 8.488 0.05 . 1 . . . . 87 Q HN . 15617 1 547 . 1 1 87 87 GLN HB2 H 1 2.430 0.05 . 2 . . . . 87 Q HB2 . 15617 1 548 . 1 1 87 87 GLN C C 13 175.500 0.5 . 1 . . . . 87 Q C . 15617 1 549 . 1 1 87 87 GLN CA C 13 53.900 0.5 . 1 . . . . 87 Q CA . 15617 1 550 . 1 1 87 87 GLN CB C 13 31.400 0.5 . 1 . . . . 87 Q CB . 15617 1 551 . 1 1 87 87 GLN N N 15 120.338 0.5 . 1 . . . . 87 Q N . 15617 1 552 . 1 1 88 88 ARG H H 1 9.068 0.05 . 1 . . . . 88 R HN . 15617 1 553 . 1 1 88 88 ARG C C 13 176.200 0.5 . 1 . . . . 88 R C . 15617 1 554 . 1 1 88 88 ARG CA C 13 57.100 0.5 . 1 . . . . 88 R CA . 15617 1 555 . 1 1 88 88 ARG CB C 13 29.900 0.5 . 1 . . . . 88 R CB . 15617 1 556 . 1 1 88 88 ARG N N 15 125.138 0.5 . 1 . . . . 88 R N . 15617 1 557 . 1 1 89 89 GLU H H 1 8.238 0.05 . 1 . . . . 89 E HN . 15617 1 558 . 1 1 89 89 GLU HB2 H 1 2.060 0.05 . 2 . . . . 89 E HB2 . 15617 1 559 . 1 1 89 89 GLU C C 13 175.900 0.5 . 1 . . . . 89 E C . 15617 1 560 . 1 1 89 89 GLU CA C 13 55.800 0.5 . 1 . . . . 89 E CA . 15617 1 561 . 1 1 89 89 GLU CB C 13 31.200 0.5 . 1 . . . . 89 E CB . 15617 1 562 . 1 1 89 89 GLU N N 15 125.738 0.5 . 1 . . . . 89 E N . 15617 1 563 . 1 1 90 90 SER H H 1 8.597 0.05 . 1 . . . . 90 S HN . 15617 1 564 . 1 1 90 90 SER HB2 H 1 4.768 0.05 . 2 . . . . 90 S HB1 . 15617 1 565 . 1 1 90 90 SER CA C 13 59.100 0.5 . 1 . . . . 90 S CA . 15617 1 566 . 1 1 90 90 SER CB C 13 63.500 0.5 . 1 . . . . 90 S CB . 15617 1 567 . 1 1 90 90 SER N N 15 120.338 0.5 . 1 . . . . 90 S N . 15617 1 568 . 1 1 93 93 ILE HD11 H 1 0.730 0.05 . 1 . . . . 93 I HD11 . 15617 1 569 . 1 1 93 93 ILE HD12 H 1 0.730 0.05 . 1 . . . . 93 I HD11 . 15617 1 570 . 1 1 93 93 ILE HD13 H 1 0.730 0.05 . 1 . . . . 93 I HD11 . 15617 1 571 . 1 1 93 93 ILE CA C 13 58.400 0.5 . 1 . . . . 93 I CA . 15617 1 572 . 1 1 93 93 ILE CB C 13 38.200 0.5 . 1 . . . . 93 I CB . 15617 1 573 . 1 1 93 93 ILE CD1 C 13 13.400 0.5 . 1 . . . . 93 I CD1 . 15617 1 574 . 1 1 93 93 ILE CG1 C 13 26.100 0.5 . 1 . . . . 93 I CG1 . 15617 1 575 . 1 1 94 94 PRO C C 13 176.800 0.5 . 1 . . . . 94 P C . 15617 1 576 . 1 1 94 94 PRO CA C 13 62.700 0.5 . 1 . . . . 94 P CA . 15617 1 577 . 1 1 94 94 PRO CB C 13 30.300 0.5 . 1 . . . . 94 P CB . 15617 1 578 . 1 1 95 95 ILE H H 1 8.148 0.05 . 1 . . . . 95 I HN . 15617 1 579 . 1 1 95 95 ILE HA H 1 3.950 0.05 . 1 . . . . 95 I HA . 15617 1 580 . 1 1 95 95 ILE HB H 1 1.910 0.05 . 1 . . . . 95 I HB . 15617 1 581 . 1 1 95 95 ILE HD11 H 1 0.770 0.05 . 1 . . . . 95 I HD11 . 15617 1 582 . 1 1 95 95 ILE HD12 H 1 0.770 0.05 . 1 . . . . 95 I HD11 . 15617 1 583 . 1 1 95 95 ILE HD13 H 1 0.770 0.05 . 1 . . . . 95 I HD11 . 15617 1 584 . 1 1 95 95 ILE HG12 H 1 1.110 0.05 . 1 . . . . 95 I HG11 . 15617 1 585 . 1 1 95 95 ILE HG13 H 1 1.350 0.05 . 1 . . . . 95 I HG12 . 15617 1 586 . 1 1 95 95 ILE HG21 H 1 0.760 0.05 . 1 . . . . 95 I HG21 . 15617 1 587 . 1 1 95 95 ILE HG22 H 1 0.760 0.05 . 1 . . . . 95 I HG21 . 15617 1 588 . 1 1 95 95 ILE HG23 H 1 0.760 0.05 . 1 . . . . 95 I HG21 . 15617 1 589 . 1 1 95 95 ILE C C 13 177.500 0.5 . 1 . . . . 95 I C . 15617 1 590 . 1 1 95 95 ILE CA C 13 62.800 0.5 . 1 . . . . 95 I CA . 15617 1 591 . 1 1 95 95 ILE CB C 13 38.400 0.5 . 1 . . . . 95 I CB . 15617 1 592 . 1 1 95 95 ILE CD1 C 13 13.700 0.5 . 1 . . . . 95 I CD1 . 15617 1 593 . 1 1 95 95 ILE CG1 C 13 26.800 0.5 . 1 . . . . 95 I CG1 . 15617 1 594 . 1 1 95 95 ILE CG2 C 13 18.400 0.5 . 1 . . . . 95 I CG2 . 15617 1 595 . 1 1 95 95 ILE N N 15 119.838 0.5 . 1 . . . . 95 I N . 15617 1 596 . 1 1 96 96 ASP H H 1 8.467 0.05 . 1 . . . . 96 D HN . 15617 1 597 . 1 1 96 96 ASP HA H 1 4.360 0.05 . 1 . . . . 96 D HA . 15617 1 598 . 1 1 96 96 ASP HB2 H 1 2.550 0.05 . 2 . . . . 96 D HB1 . 15617 1 599 . 1 1 96 96 ASP HB3 H 1 2.580 0.05 . 2 . . . . 96 D HB2 . 15617 1 600 . 1 1 96 96 ASP C C 13 178.100 0.5 . 1 . . . . 96 D C . 15617 1 601 . 1 1 96 96 ASP CA C 13 56.300 0.5 . 1 . . . . 96 D CA . 15617 1 602 . 1 1 96 96 ASP CB C 13 40.000 0.5 . 1 . . . . 96 D CB . 15617 1 603 . 1 1 96 96 ASP N N 15 121.138 0.5 . 1 . . . . 96 D N . 15617 1 604 . 1 1 97 97 GLN H H 1 8.127 0.05 . 1 . . . . 97 Q HN . 15617 1 605 . 1 1 97 97 GLN HA H 1 3.930 0.05 . 1 . . . . 97 Q HA . 15617 1 606 . 1 1 97 97 GLN C C 13 176.200 0.5 . 1 . . . . 97 Q C . 15617 1 607 . 1 1 97 97 GLN CA C 13 57.800 0.5 . 1 . . . . 97 Q CA . 15617 1 608 . 1 1 97 97 GLN CB C 13 27.600 0.5 . 1 . . . . 97 Q CB . 15617 1 609 . 1 1 97 97 GLN N N 15 119.338 0.5 . 1 . . . . 97 Q N . 15617 1 610 . 1 1 98 98 PHE H H 1 7.557 0.05 . 1 . . . . 98 F HN . 15617 1 611 . 1 1 98 98 PHE HB2 H 1 2.640 0.05 . 2 . . . . 98 F HB2 . 15617 1 612 . 1 1 98 98 PHE HD1 H 1 6.740 0.05 . 3 . . . . 98 F HD1 . 15617 1 613 . 1 1 98 98 PHE HE1 H 1 6.800 0.05 . 3 . . . . 98 F HE1 . 15617 1 614 . 1 1 98 98 PHE C C 13 176.700 0.5 . 1 . . . . 98 F C . 15617 1 615 . 1 1 98 98 PHE CA C 13 56.800 0.5 . 1 . . . . 98 F CA . 15617 1 616 . 1 1 98 98 PHE CB C 13 39.400 0.5 . 1 . . . . 98 F CB . 15617 1 617 . 1 1 98 98 PHE N N 15 112.738 0.5 . 1 . . . . 98 F N . 15617 1 618 . 1 1 99 99 GLY H H 1 7.907 0.05 . 1 . . . . 99 G HN . 15617 1 619 . 1 1 99 99 GLY C C 13 173.300 0.5 . 1 . . . . 99 G C . 15617 1 620 . 1 1 99 99 GLY CA C 13 47.500 0.5 . 1 . . . . 99 G CA . 15617 1 621 . 1 1 99 99 GLY N N 15 109.038 0.5 . 1 . . . . 99 G N . 15617 1 622 . 1 1 100 100 CYS H H 1 7.807 0.05 . 1 . . . . 100 C HN . 15617 1 623 . 1 1 100 100 CYS C C 13 174.000 0.5 . 1 . . . . 100 C C . 15617 1 624 . 1 1 100 100 CYS CA C 13 55.300 0.5 . 1 . . . . 100 C CA . 15617 1 625 . 1 1 100 100 CYS CB C 13 31.100 0.5 . 1 . . . . 100 C CB . 15617 1 626 . 1 1 100 100 CYS N N 15 114.238 0.5 . 1 . . . . 100 C N . 15617 1 627 . 1 1 101 101 GLY H H 1 8.708 0.05 . 1 . . . . 101 G HN . 15617 1 628 . 1 1 101 101 GLY C C 13 174.700 0.5 . 1 . . . . 101 G C . 15617 1 629 . 1 1 101 101 GLY N N 15 110.338 0.5 . 1 . . . . 101 G N . 15617 1 630 . 1 1 102 102 ASP H H 1 8.608 0.05 . 1 . . . . 102 D HN . 15617 1 631 . 1 1 102 102 ASP HB2 H 1 2.790 0.05 . 2 . . . . 102 D HB2 . 15617 1 632 . 1 1 102 102 ASP C C 13 177.100 0.5 . 1 . . . . 102 D C . 15617 1 633 . 1 1 102 102 ASP CA C 13 55.700 0.5 . 1 . . . . 102 D CA . 15617 1 634 . 1 1 102 102 ASP CB C 13 40.600 0.5 . 1 . . . . 102 D CB . 15617 1 635 . 1 1 102 102 ASP N N 15 120.038 0.5 . 1 . . . . 102 D N . 15617 1 636 . 1 1 103 103 THR H H 1 7.718 0.05 . 1 . . . . 103 T HN . 15617 1 637 . 1 1 103 103 THR HG21 H 1 1.370 0.05 . 1 . . . . 103 T HG21 . 15617 1 638 . 1 1 103 103 THR HG22 H 1 1.370 0.05 . 1 . . . . 103 T HG21 . 15617 1 639 . 1 1 103 103 THR HG23 H 1 1.370 0.05 . 1 . . . . 103 T HG21 . 15617 1 640 . 1 1 103 103 THR C C 13 175.000 0.5 . 1 . . . . 103 T C . 15617 1 641 . 1 1 103 103 THR CA C 13 62.100 0.5 . 1 . . . . 103 T CA . 15617 1 642 . 1 1 103 103 THR CB C 13 69.700 0.5 . 1 . . . . 103 T CB . 15617 1 643 . 1 1 103 103 THR CG2 C 13 22.100 0.5 . 1 . . . . 103 T CG2 . 15617 1 644 . 1 1 103 103 THR N N 15 108.438 0.5 . 1 . . . . 103 T N . 15617 1 645 . 1 1 104 104 ALA H H 1 7.747 0.05 . 1 . . . . 104 A HN . 15617 1 646 . 1 1 104 104 ALA HB1 H 1 1.430 0.05 . 1 . . . . 104 A HB1 . 15617 1 647 . 1 1 104 104 ALA HB2 H 1 1.430 0.05 . 1 . . . . 104 A HB1 . 15617 1 648 . 1 1 104 104 ALA HB3 H 1 1.430 0.05 . 1 . . . . 104 A HB1 . 15617 1 649 . 1 1 104 104 ALA C C 13 177.400 0.5 . 1 . . . . 104 A C . 15617 1 650 . 1 1 104 104 ALA CA C 13 52.900 0.5 . 1 . . . . 104 A CA . 15617 1 651 . 1 1 104 104 ALA CB C 13 20.200 0.5 . 1 . . . . 104 A CB . 15617 1 652 . 1 1 104 104 ALA N N 15 124.738 0.5 . 1 . . . . 104 A N . 15617 1 653 . 1 1 105 105 ARG H H 1 8.818 0.05 . 1 . . . . 105 R HN . 15617 1 654 . 1 1 105 105 ARG C C 13 174.000 0.5 . 1 . . . . 105 R C . 15617 1 655 . 1 1 105 105 ARG CA C 13 54.400 0.5 . 1 . . . . 105 R CA . 15617 1 656 . 1 1 105 105 ARG CB C 13 34.200 0.5 . 1 . . . . 105 R CB . 15617 1 657 . 1 1 105 105 ARG N N 15 120.838 0.5 . 1 . . . . 105 R N . 15617 1 658 . 1 1 106 106 GLN H H 1 8.477 0.05 . 1 . . . . 106 Q HN . 15617 1 659 . 1 1 106 106 GLN HB2 H 1 2.210 0.05 . 2 . . . . 106 Q HB2 . 15617 1 660 . 1 1 106 106 GLN C C 13 174.200 0.5 . 1 . . . . 106 Q C . 15617 1 661 . 1 1 106 106 GLN CA C 13 54.500 0.5 . 1 . . . . 106 Q CA . 15617 1 662 . 1 1 106 106 GLN CB C 13 31.800 0.5 . 1 . . . . 106 Q CB . 15617 1 663 . 1 1 106 106 GLN N N 15 120.538 0.5 . 1 . . . . 106 Q N . 15617 1 664 . 1 1 107 107 TYR H H 1 9.618 0.05 . 1 . . . . 107 Y HN . 15617 1 665 . 1 1 107 107 TYR HB2 H 1 2.430 0.05 . 2 . . . . 107 Y HB2 . 15617 1 666 . 1 1 107 107 TYR HD1 H 1 6.710 0.05 . 3 . . . . 107 Y HD1 . 15617 1 667 . 1 1 107 107 TYR C C 13 174.800 0.5 . 1 . . . . 107 Y C . 15617 1 668 . 1 1 107 107 TYR CA C 13 56.460 0.5 . 1 . . . . 107 Y CA . 15617 1 669 . 1 1 107 107 TYR CB C 13 44.150 0.5 . 1 . . . . 107 Y CB . 15617 1 670 . 1 1 107 107 TYR N N 15 122.238 0.5 . 1 . . . . 107 Y N . 15617 1 671 . 1 1 108 108 VAL H H 1 9.307 0.05 . 1 . . . . 108 V HN . 15617 1 672 . 1 1 108 108 VAL HA H 1 3.620 0.05 . 1 . . . . 108 V HA . 15617 1 673 . 1 1 108 108 VAL HB H 1 1.960 0.05 . 1 . . . . 108 V HB . 15617 1 674 . 1 1 108 108 VAL HG11 H 1 0.990 0.05 . 2 . . . . 108 V HG11 . 15617 1 675 . 1 1 108 108 VAL HG12 H 1 0.990 0.05 . 2 . . . . 108 V HG11 . 15617 1 676 . 1 1 108 108 VAL HG13 H 1 0.990 0.05 . 2 . . . . 108 V HG11 . 15617 1 677 . 1 1 108 108 VAL HG21 H 1 0.960 0.05 . 2 . . . . 108 V HG21 . 15617 1 678 . 1 1 108 108 VAL HG22 H 1 0.960 0.05 . 2 . . . . 108 V HG21 . 15617 1 679 . 1 1 108 108 VAL HG23 H 1 0.960 0.05 . 2 . . . . 108 V HG21 . 15617 1 680 . 1 1 108 108 VAL C C 13 175.100 0.5 . 1 . . . . 108 V C . 15617 1 681 . 1 1 108 108 VAL CA C 13 61.000 0.5 . 1 . . . . 108 V CA . 15617 1 682 . 1 1 108 108 VAL CB C 13 34.000 0.5 . 1 . . . . 108 V CB . 15617 1 683 . 1 1 108 108 VAL CG1 C 13 21.700 0.5 . 1 . . . . 108 V CG1 . 15617 1 684 . 1 1 108 108 VAL CG2 C 13 20.900 0.5 . 1 . . . . 108 V CG2 . 15617 1 685 . 1 1 108 108 VAL N N 15 118.638 0.5 . 1 . . . . 108 V N . 15617 1 686 . 1 1 109 109 LEU H H 1 9.318 0.05 . 1 . . . . 109 L HN . 15617 1 687 . 1 1 109 109 LEU HD11 H 1 0.780 0.05 . 2 . . . . 109 L HD11 . 15617 1 688 . 1 1 109 109 LEU HD12 H 1 0.780 0.05 . 2 . . . . 109 L HD11 . 15617 1 689 . 1 1 109 109 LEU HD13 H 1 0.780 0.05 . 2 . . . . 109 L HD11 . 15617 1 690 . 1 1 109 109 LEU HD21 H 1 0.760 0.05 . 2 . . . . 109 L HD21 . 15617 1 691 . 1 1 109 109 LEU HD22 H 1 0.760 0.05 . 2 . . . . 109 L HD21 . 15617 1 692 . 1 1 109 109 LEU HD23 H 1 0.760 0.05 . 2 . . . . 109 L HD21 . 15617 1 693 . 1 1 109 109 LEU C C 13 176.400 0.5 . 1 . . . . 109 L C . 15617 1 694 . 1 1 109 109 LEU CA C 13 53.800 0.5 . 1 . . . . 109 L CA . 15617 1 695 . 1 1 109 109 LEU CB C 13 46.100 0.5 . 1 . . . . 109 L CB . 15617 1 696 . 1 1 109 109 LEU CD1 C 13 24.900 0.5 . 1 . . . . 109 L CD1 . 15617 1 697 . 1 1 109 109 LEU CD2 C 13 25.500 0.5 . 1 . . . . 109 L CD2 . 15617 1 698 . 1 1 109 109 LEU N N 15 128.038 0.5 . 1 . . . . 109 L N . 15617 1 699 . 1 1 110 110 MET H H 1 9.057 0.05 . 1 . . . . 110 M HN . 15617 1 700 . 1 1 110 110 MET HG2 H 1 2.350 0.05 . 2 . . . . 110 M HG2 . 15617 1 701 . 1 1 110 110 MET C C 13 177.300 0.5 . 1 . . . . 110 M C . 15617 1 702 . 1 1 110 110 MET CA C 13 55.200 0.5 . 1 . . . . 110 M CA . 15617 1 703 . 1 1 110 110 MET CB C 13 28.500 0.5 . 1 . . . . 110 M CB . 15617 1 704 . 1 1 110 110 MET N N 15 115.538 0.5 . 1 . . . . 110 M N . 15617 1 705 . 1 1 111 111 ASN H H 1 8.927 0.05 . 1 . . . . 111 N HN . 15617 1 706 . 1 1 111 111 ASN HA H 1 4.300 0.05 . 1 . . . . 111 N HA . 15617 1 707 . 1 1 111 111 ASN HB2 H 1 2.680 0.05 . 2 . . . . 111 N HB1 . 15617 1 708 . 1 1 111 111 ASN HB3 H 1 3.080 0.05 . 2 . . . . 111 N HB2 . 15617 1 709 . 1 1 111 111 ASN C C 13 175.200 0.5 . 1 . . . . 111 N C . 15617 1 710 . 1 1 111 111 ASN CA C 13 54.200 0.5 . 1 . . . . 111 N CA . 15617 1 711 . 1 1 111 111 ASN CB C 13 37.300 0.5 . 1 . . . . 111 N CB . 15617 1 712 . 1 1 111 111 ASN N N 15 115.838 0.5 . 1 . . . . 111 N N . 15617 1 713 . 1 1 112 112 GLY H H 1 7.517 0.05 . 1 . . . . 112 G HN . 15617 1 714 . 1 1 112 112 GLY HA2 H 1 3.450 0.05 . 2 . . . . 112 G HA1 . 15617 1 715 . 1 1 112 112 GLY HA3 H 1 4.410 0.05 . 2 . . . . 112 G HA2 . 15617 1 716 . 1 1 112 112 GLY C C 13 174.900 0.5 . 1 . . . . 112 G C . 15617 1 717 . 1 1 112 112 GLY CA C 13 45.100 0.5 . 1 . . . . 112 G CA . 15617 1 718 . 1 1 112 112 GLY N N 15 102.738 0.5 . 1 . . . . 112 G N . 15617 1 719 . 1 1 113 113 LYS H H 1 7.438 0.05 . 1 . . . . 113 K HN . 15617 1 720 . 1 1 113 113 LYS HA H 1 4.220 0.05 . 1 . . . . 113 K HA . 15617 1 721 . 1 1 113 113 LYS C C 13 175.400 0.5 . 1 . . . . 113 K C . 15617 1 722 . 1 1 113 113 LYS CA C 13 57.840 0.5 . 1 . . . . 113 K CA . 15617 1 723 . 1 1 113 113 LYS CB C 13 33.300 0.5 . 1 . . . . 113 K CB . 15617 1 724 . 1 1 113 113 LYS N N 15 118.238 0.5 . 1 . . . . 113 K N . 15617 1 725 . 1 1 114 114 LEU H H 1 7.617 0.05 . 1 . . . . 114 L HN . 15617 1 726 . 1 1 114 114 LEU HD11 H 1 0.750 0.05 . 2 . . . . 114 L HD11 . 15617 1 727 . 1 1 114 114 LEU HD12 H 1 0.750 0.05 . 2 . . . . 114 L HD11 . 15617 1 728 . 1 1 114 114 LEU HD13 H 1 0.750 0.05 . 2 . . . . 114 L HD11 . 15617 1 729 . 1 1 114 114 LEU HD21 H 1 0.800 0.05 . 2 . . . . 114 L HD21 . 15617 1 730 . 1 1 114 114 LEU HD22 H 1 0.800 0.05 . 2 . . . . 114 L HD21 . 15617 1 731 . 1 1 114 114 LEU HD23 H 1 0.800 0.05 . 2 . . . . 114 L HD21 . 15617 1 732 . 1 1 114 114 LEU C C 13 174.400 0.5 . 1 . . . . 114 L C . 15617 1 733 . 1 1 114 114 LEU CA C 13 53.300 0.5 . 1 . . . . 114 L CA . 15617 1 734 . 1 1 114 114 LEU CB C 13 46.100 0.5 . 1 . . . . 114 L CB . 15617 1 735 . 1 1 114 114 LEU CD1 C 13 23.400 0.5 . 1 . . . . 114 L CD1 . 15617 1 736 . 1 1 114 114 LEU CD2 C 13 26.500 0.5 . 1 . . . . 114 L CD2 . 15617 1 737 . 1 1 114 114 LEU N N 15 117.238 0.5 . 1 . . . . 114 L N . 15617 1 738 . 1 1 115 115 LYS H H 1 8.297 0.05 . 1 . . . . 115 K HN . 15617 1 739 . 1 1 115 115 LYS C C 13 175.200 0.5 . 1 . . . . 115 K C . 15617 1 740 . 1 1 115 115 LYS CA C 13 55.300 0.5 . 1 . . . . 115 K CA . 15617 1 741 . 1 1 115 115 LYS CB C 13 33.400 0.5 . 1 . . . . 115 K CB . 15617 1 742 . 1 1 115 115 LYS N N 15 125.438 0.5 . 1 . . . . 115 K N . 15617 1 743 . 1 1 116 116 VAL H H 1 9.188 0.05 . 1 . . . . 116 V HN . 15617 1 744 . 1 1 116 116 VAL HG11 H 1 1.020 0.05 . 2 . . . . 116 V HG11 . 15617 1 745 . 1 1 116 116 VAL HG12 H 1 1.020 0.05 . 2 . . . . 116 V HG11 . 15617 1 746 . 1 1 116 116 VAL HG13 H 1 1.020 0.05 . 2 . . . . 116 V HG11 . 15617 1 747 . 1 1 116 116 VAL HG21 H 1 0.950 0.05 . 2 . . . . 116 V HG21 . 15617 1 748 . 1 1 116 116 VAL HG22 H 1 0.950 0.05 . 2 . . . . 116 V HG21 . 15617 1 749 . 1 1 116 116 VAL HG23 H 1 0.950 0.05 . 2 . . . . 116 V HG21 . 15617 1 750 . 1 1 116 116 VAL C C 13 174.400 0.5 . 1 . . . . 116 V C . 15617 1 751 . 1 1 116 116 VAL CA C 13 60.100 0.5 . 1 . . . . 116 V CA . 15617 1 752 . 1 1 116 116 VAL CB C 13 34.900 0.5 . 1 . . . . 116 V CB . 15617 1 753 . 1 1 116 116 VAL CG1 C 13 21.200 0.5 . 1 . . . . 116 V CG1 . 15617 1 754 . 1 1 116 116 VAL CG2 C 13 22.200 0.5 . 1 . . . . 116 V CG2 . 15617 1 755 . 1 1 116 116 VAL N N 15 122.938 0.5 . 1 . . . . 116 V N . 15617 1 756 . 1 1 117 117 ILE H H 1 9.108 0.05 . 1 . . . . 117 I HN . 15617 1 757 . 1 1 117 117 ILE HB H 1 1.660 0.05 . 1 . . . . 117 I HB . 15617 1 758 . 1 1 117 117 ILE HD11 H 1 0.760 0.05 . 1 . . . . 117 I HD11 . 15617 1 759 . 1 1 117 117 ILE HD12 H 1 0.760 0.05 . 1 . . . . 117 I HD11 . 15617 1 760 . 1 1 117 117 ILE HD13 H 1 0.760 0.05 . 1 . . . . 117 I HD11 . 15617 1 761 . 1 1 117 117 ILE HG12 H 1 1.040 0.05 . 1 . . . . 117 I HG12 . 15617 1 762 . 1 1 117 117 ILE HG21 H 1 0.960 0.05 . 1 . . . . 117 I HG21 . 15617 1 763 . 1 1 117 117 ILE HG22 H 1 0.960 0.05 . 1 . . . . 117 I HG21 . 15617 1 764 . 1 1 117 117 ILE HG23 H 1 0.960 0.05 . 1 . . . . 117 I HG21 . 15617 1 765 . 1 1 117 117 ILE C C 13 174.200 0.5 . 1 . . . . 117 I C . 15617 1 766 . 1 1 117 117 ILE CA C 13 59.900 0.5 . 1 . . . . 117 I CA . 15617 1 767 . 1 1 117 117 ILE CB C 13 40.700 0.5 . 1 . . . . 117 I CB . 15617 1 768 . 1 1 117 117 ILE CD1 C 13 14.500 0.5 . 1 . . . . 117 I CD1 . 15617 1 769 . 1 1 117 117 ILE CG1 C 13 27.900 0.5 . 1 . . . . 117 I CG1 . 15617 1 770 . 1 1 117 117 ILE N N 15 127.438 0.5 . 1 . . . . 117 I N . 15617 1 771 . 1 1 118 118 GLY H H 1 8.988 0.05 . 1 . . . . 118 G HN . 15617 1 772 . 1 1 118 118 GLY CA C 13 44.000 0.5 . 1 . . . . 118 G CA . 15617 1 773 . 1 1 118 118 GLY N N 15 112.038 0.5 . 1 . . . . 118 G N . 15617 1 774 . 1 1 120 120 ASP C C 13 172.000 0.5 . 1 . . . . 120 D C . 15617 1 775 . 1 1 121 121 PHE H H 1 8.230 0.05 . 1 . . . . 121 F HN . 15617 1 776 . 1 1 121 121 PHE HB2 H 1 3.000 0.05 . 2 . . . . 121 F HB2 . 15617 1 777 . 1 1 121 121 PHE HD1 H 1 6.560 0.05 . 3 . . . . 121 F HD1 . 15617 1 778 . 1 1 121 121 PHE HE1 H 1 6.930 0.05 . 3 . . . . 121 F HE1 . 15617 1 779 . 1 1 121 121 PHE C C 13 175.900 0.5 . 1 . . . . 121 F C . 15617 1 780 . 1 1 121 121 PHE N N 15 117.900 0.5 . 1 . . . . 121 F N . 15617 1 781 . 1 1 122 122 SER H H 1 9.410 0.05 . 1 . . . . 122 S HN . 15617 1 782 . 1 1 122 122 SER C C 13 175.700 0.5 . 1 . . . . 122 S C . 15617 1 783 . 1 1 122 122 SER N N 15 119.900 0.5 . 1 . . . . 122 S N . 15617 1 784 . 1 1 123 123 THR H H 1 8.847 0.05 . 1 . . . . 123 T HN . 15617 1 785 . 1 1 123 123 THR C C 13 174.900 0.5 . 1 . . . . 123 T C . 15617 1 786 . 1 1 123 123 THR CA C 13 62.700 0.5 . 1 . . . . 123 T CA . 15617 1 787 . 1 1 123 123 THR CB C 13 68.700 0.5 . 1 . . . . 123 T CB . 15617 1 788 . 1 1 123 123 THR N N 15 118.138 0.5 . 1 . . . . 123 T N . 15617 1 789 . 1 1 124 124 LYS H H 1 8.977 0.05 . 1 . . . . 124 K HN . 15617 1 790 . 1 1 124 124 LYS C C 13 176.100 0.5 . 1 . . . . 124 K C . 15617 1 791 . 1 1 124 124 LYS CA C 13 54.300 0.5 . 1 . . . . 124 K CA . 15617 1 792 . 1 1 124 124 LYS CB C 13 32.100 0.5 . 1 . . . . 124 K CB . 15617 1 793 . 1 1 124 124 LYS N N 15 124.238 0.5 . 1 . . . . 124 K N . 15617 1 794 . 1 1 125 125 MET H H 1 7.977 0.05 . 1 . . . . 125 M HN . 15617 1 795 . 1 1 125 125 MET HE1 H 1 1.990 0.05 . 1 . . . . 125 M HE1 . 15617 1 796 . 1 1 125 125 MET HE2 H 1 1.990 0.05 . 1 . . . . 125 M HE1 . 15617 1 797 . 1 1 125 125 MET HE3 H 1 1.990 0.05 . 1 . . . . 125 M HE1 . 15617 1 798 . 1 1 125 125 MET HG2 H 1 2.680 0.05 . 2 . . . . 125 M HG1 . 15617 1 799 . 1 1 125 125 MET HG3 H 1 2.840 0.05 . 2 . . . . 125 M HG2 . 15617 1 800 . 1 1 125 125 MET C C 13 178.100 0.5 . 1 . . . . 125 M C . 15617 1 801 . 1 1 125 125 MET CA C 13 58.500 0.5 . 1 . . . . 125 M CA . 15617 1 802 . 1 1 125 125 MET CB C 13 31.500 0.5 . 1 . . . . 125 M CB . 15617 1 803 . 1 1 125 125 MET CE C 13 17.700 0.5 . 1 . . . . 125 M CE . 15617 1 804 . 1 1 125 125 MET N N 15 118.738 0.5 . 1 . . . . 125 M N . 15617 1 805 . 1 1 126 126 GLN H H 1 8.470 0.05 . 1 . . . . 126 Q HN . 15617 1 806 . 1 1 126 126 GLN HB2 H 1 2.310 0.05 . 2 . . . . 126 Q HB2 . 15617 1 807 . 1 1 126 126 GLN C C 13 177.800 0.5 . 1 . . . . 126 Q C . 15617 1 808 . 1 1 126 126 GLN CA C 13 60.000 0.5 . 1 . . . . 126 Q CA . 15617 1 809 . 1 1 126 126 GLN CB C 13 27.400 0.5 . 1 . . . . 126 Q CB . 15617 1 810 . 1 1 126 126 GLN N N 15 114.338 0.5 . 1 . . . . 126 Q N . 15617 1 811 . 1 1 127 127 SER H H 1 7.497 0.05 . 1 . . . . 127 S HN . 15617 1 812 . 1 1 127 127 SER C C 13 176.100 0.5 . 1 . . . . 127 S C . 15617 1 813 . 1 1 127 127 SER CA C 13 61.400 0.5 . 1 . . . . 127 S CA . 15617 1 814 . 1 1 127 127 SER CB C 13 63.100 0.5 . 1 . . . . 127 S CB . 15617 1 815 . 1 1 127 127 SER N N 15 113.438 0.5 . 1 . . . . 127 S N . 15617 1 816 . 1 1 128 128 ILE H H 1 7.787 0.05 . 1 . . . . 128 I HN . 15617 1 817 . 1 1 128 128 ILE HA H 1 3.940 0.05 . 1 . . . . 128 I HA . 15617 1 818 . 1 1 128 128 ILE HD11 H 1 0.720 0.05 . 1 . . . . 128 I HD11 . 15617 1 819 . 1 1 128 128 ILE HD12 H 1 0.720 0.05 . 1 . . . . 128 I HD11 . 15617 1 820 . 1 1 128 128 ILE HD13 H 1 0.720 0.05 . 1 . . . . 128 I HD11 . 15617 1 821 . 1 1 128 128 ILE HG12 H 1 1.550 0.05 . 1 . . . . 128 I HG11 . 15617 1 822 . 1 1 128 128 ILE HG13 H 1 1.670 0.05 . 1 . . . . 128 I HG12 . 15617 1 823 . 1 1 128 128 ILE HG21 H 1 -0.050 0.05 . 1 . . . . 128 I HG21 . 15617 1 824 . 1 1 128 128 ILE HG22 H 1 -0.050 0.05 . 1 . . . . 128 I HG21 . 15617 1 825 . 1 1 128 128 ILE HG23 H 1 -0.050 0.05 . 1 . . . . 128 I HG21 . 15617 1 826 . 1 1 128 128 ILE C C 13 179.500 0.5 . 1 . . . . 128 I C . 15617 1 827 . 1 1 128 128 ILE CA C 13 65.400 0.5 . 1 . . . . 128 I CA . 15617 1 828 . 1 1 128 128 ILE CB C 13 37.100 0.5 . 1 . . . . 128 I CB . 15617 1 829 . 1 1 128 128 ILE CD1 C 13 14.300 0.5 . 1 . . . . 128 I CD1 . 15617 1 830 . 1 1 128 128 ILE CG2 C 13 16.100 0.5 . 1 . . . . 128 I CG2 . 15617 1 831 . 1 1 128 128 ILE N N 15 120.638 0.5 . 1 . . . . 128 I N . 15617 1 832 . 1 1 129 129 ILE H H 1 7.878 0.05 . 1 . . . . 129 I HN . 15617 1 833 . 1 1 129 129 ILE HB H 1 1.890 0.05 . 1 . . . . 129 I HB . 15617 1 834 . 1 1 129 129 ILE HD11 H 1 0.870 0.05 . 1 . . . . 129 I HD11 . 15617 1 835 . 1 1 129 129 ILE HD12 H 1 0.870 0.05 . 1 . . . . 129 I HD11 . 15617 1 836 . 1 1 129 129 ILE HD13 H 1 0.870 0.05 . 1 . . . . 129 I HD11 . 15617 1 837 . 1 1 129 129 ILE HG12 H 1 1.640 0.05 . 1 . . . . 129 I HG12 . 15617 1 838 . 1 1 129 129 ILE HG21 H 1 0.860 0.05 . 1 . . . . 129 I HG21 . 15617 1 839 . 1 1 129 129 ILE HG22 H 1 0.860 0.05 . 1 . . . . 129 I HG21 . 15617 1 840 . 1 1 129 129 ILE HG23 H 1 0.860 0.05 . 1 . . . . 129 I HG21 . 15617 1 841 . 1 1 129 129 ILE C C 13 177.300 0.5 . 1 . . . . 129 I C . 15617 1 842 . 1 1 129 129 ILE CA C 13 65.300 0.5 . 1 . . . . 129 I CA . 15617 1 843 . 1 1 129 129 ILE CB C 13 38.200 0.5 . 1 . . . . 129 I CB . 15617 1 844 . 1 1 129 129 ILE CD1 C 13 13.400 0.5 . 1 . . . . 129 I CD1 . 15617 1 845 . 1 1 129 129 ILE CG1 C 13 28.100 0.5 . 1 . . . . 129 I CG1 . 15617 1 846 . 1 1 129 129 ILE CG2 C 13 19.800 0.5 . 1 . . . . 129 I CG2 . 15617 1 847 . 1 1 129 129 ILE N N 15 119.138 0.5 . 1 . . . . 129 I N . 15617 1 848 . 1 1 130 130 ARG H H 1 8.278 0.05 . 1 . . . . 130 R HN . 15617 1 849 . 1 1 130 130 ARG HA H 1 4.060 0.05 . 1 . . . . 130 R HA . 15617 1 850 . 1 1 130 130 ARG C C 13 178.300 0.5 . 1 . . . . 130 R C . 15617 1 851 . 1 1 130 130 ARG CA C 13 60.300 0.5 . 1 . . . . 130 R CA . 15617 1 852 . 1 1 130 130 ARG CB C 13 31.300 0.5 . 1 . . . . 130 R CB . 15617 1 853 . 1 1 130 130 ARG N N 15 115.938 0.5 . 1 . . . . 130 R N . 15617 1 854 . 1 1 131 131 ASP H H 1 8.517 0.05 . 1 . . . . 131 D HN . 15617 1 855 . 1 1 131 131 ASP C C 13 177.600 0.5 . 1 . . . . 131 D C . 15617 1 856 . 1 1 131 131 ASP CA C 13 56.100 0.5 . 1 . . . . 131 D CA . 15617 1 857 . 1 1 131 131 ASP CB C 13 41.200 0.5 . 1 . . . . 131 D CB . 15617 1 858 . 1 1 131 131 ASP N N 15 113.538 0.5 . 1 . . . . 131 D N . 15617 1 859 . 1 1 132 132 TYR H H 1 7.427 0.05 . 1 . . . . 132 Y HN . 15617 1 860 . 1 1 132 132 TYR C C 13 174.600 0.5 . 1 . . . . 132 Y C . 15617 1 861 . 1 1 132 132 TYR CA C 13 57.840 0.5 . 1 . . . . 132 Y CA . 15617 1 862 . 1 1 132 132 TYR CB C 13 39.400 0.5 . 1 . . . . 132 Y CB . 15617 1 863 . 1 1 132 132 TYR N N 15 114.438 0.5 . 1 . . . . 132 Y N . 15617 1 864 . 1 1 133 133 SER H H 1 6.847 0.05 . 1 . . . . 133 S HN . 15617 1 865 . 1 1 133 133 SER HA H 1 4.160 0.05 . 1 . . . . 133 S HA . 15617 1 866 . 1 1 133 133 SER HB2 H 1 3.730 0.05 . 2 . . . . 133 S HB2 . 15617 1 867 . 1 1 133 133 SER C C 13 172.700 0.5 . 1 . . . . 133 S C . 15617 1 868 . 1 1 133 133 SER CA C 13 59.000 0.5 . 1 . . . . 133 S CA . 15617 1 869 . 1 1 133 133 SER CB C 13 65.500 0.5 . 1 . . . . 133 S CB . 15617 1 870 . 1 1 133 133 SER N N 15 110.238 0.5 . 1 . . . . 133 S N . 15617 1 871 . 1 1 134 134 ASP H H 1 9.387 0.05 . 1 . . . . 134 D HN . 15617 1 872 . 1 1 134 134 ASP C C 13 175.200 0.5 . 1 . . . . 134 D C . 15617 1 873 . 1 1 134 134 ASP CA C 13 55.180 0.5 . 1 . . . . 134 D CA . 15617 1 874 . 1 1 134 134 ASP CB C 13 43.400 0.5 . 1 . . . . 134 D CB . 15617 1 875 . 1 1 134 134 ASP N N 15 120.438 0.5 . 1 . . . . 134 D N . 15617 1 876 . 1 1 135 135 LEU H H 1 8.068 0.05 . 1 . . . . 135 L HN . 15617 1 877 . 1 1 135 135 LEU HD11 H 1 0.990 0.05 . 2 . . . . 135 L HD11 . 15617 1 878 . 1 1 135 135 LEU HD12 H 1 0.990 0.05 . 2 . . . . 135 L HD11 . 15617 1 879 . 1 1 135 135 LEU HD13 H 1 0.990 0.05 . 2 . . . . 135 L HD11 . 15617 1 880 . 1 1 135 135 LEU HD21 H 1 0.570 0.05 . 2 . . . . 135 L HD21 . 15617 1 881 . 1 1 135 135 LEU HD22 H 1 0.570 0.05 . 2 . . . . 135 L HD21 . 15617 1 882 . 1 1 135 135 LEU HD23 H 1 0.570 0.05 . 2 . . . . 135 L HD21 . 15617 1 883 . 1 1 135 135 LEU C C 13 172.800 0.5 . 1 . . . . 135 L C . 15617 1 884 . 1 1 135 135 LEU CA C 13 55.000 0.5 . 1 . . . . 135 L CA . 15617 1 885 . 1 1 135 135 LEU CB C 13 45.100 0.5 . 1 . . . . 135 L CB . 15617 1 886 . 1 1 135 135 LEU CD1 C 13 22.100 0.5 . 1 . . . . 135 L CD1 . 15617 1 887 . 1 1 135 135 LEU CD2 C 13 27.100 0.5 . 1 . . . . 135 L CD2 . 15617 1 888 . 1 1 135 135 LEU N N 15 121.538 0.5 . 1 . . . . 135 L N . 15617 1 889 . 1 1 136 136 VAL H H 1 8.477 0.05 . 1 . . . . 136 V HN . 15617 1 890 . 1 1 136 136 VAL HG11 H 1 1.090 0.05 . 2 . . . . 136 V HG11 . 15617 1 891 . 1 1 136 136 VAL HG12 H 1 1.090 0.05 . 2 . . . . 136 V HG11 . 15617 1 892 . 1 1 136 136 VAL HG13 H 1 1.090 0.05 . 2 . . . . 136 V HG11 . 15617 1 893 . 1 1 136 136 VAL HG21 H 1 0.820 0.05 . 2 . . . . 136 V HG21 . 15617 1 894 . 1 1 136 136 VAL HG22 H 1 0.820 0.05 . 2 . . . . 136 V HG21 . 15617 1 895 . 1 1 136 136 VAL HG23 H 1 0.820 0.05 . 2 . . . . 136 V HG21 . 15617 1 896 . 1 1 136 136 VAL C C 13 174.900 0.5 . 1 . . . . 136 V C . 15617 1 897 . 1 1 136 136 VAL CA C 13 60.300 0.5 . 1 . . . . 136 V CA . 15617 1 898 . 1 1 136 136 VAL CB C 13 34.600 0.5 . 1 . . . . 136 V CB . 15617 1 899 . 1 1 136 136 VAL CG1 C 13 21.800 0.5 . 1 . . . . 136 V CG1 . 15617 1 900 . 1 1 136 136 VAL CG2 C 13 20.900 0.5 . 1 . . . . 136 V CG2 . 15617 1 901 . 1 1 136 136 VAL N N 15 127.038 0.5 . 1 . . . . 136 V N . 15617 1 902 . 1 1 137 137 ILE H H 1 9.040 0.05 . 1 . . . . 137 I HN . 15617 1 903 . 1 1 137 137 ILE HA H 1 3.310 0.05 . 1 . . . . 137 I HA . 15617 1 904 . 1 1 137 137 ILE HD11 H 1 0.660 0.05 . 1 . . . . 137 I HD11 . 15617 1 905 . 1 1 137 137 ILE HD12 H 1 0.660 0.05 . 1 . . . . 137 I HD11 . 15617 1 906 . 1 1 137 137 ILE HD13 H 1 0.660 0.05 . 1 . . . . 137 I HD11 . 15617 1 907 . 1 1 137 137 ILE HG12 H 1 1.460 0.05 . 1 . . . . 137 I HG11 . 15617 1 908 . 1 1 137 137 ILE HG13 H 1 1.580 0.05 . 1 . . . . 137 I HG12 . 15617 1 909 . 1 1 137 137 ILE HG21 H 1 0.760 0.05 . 1 . . . . 137 I HG21 . 15617 1 910 . 1 1 137 137 ILE HG22 H 1 0.760 0.05 . 1 . . . . 137 I HG21 . 15617 1 911 . 1 1 137 137 ILE HG23 H 1 0.760 0.05 . 1 . . . . 137 I HG21 . 15617 1 912 . 1 1 137 137 ILE C C 13 174.400 0.5 . 1 . . . . 137 I C . 15617 1 913 . 1 1 137 137 ILE CA C 13 60.300 0.5 . 1 . . . . 137 I CA . 15617 1 914 . 1 1 137 137 ILE CB C 13 39.600 0.5 . 1 . . . . 137 I CB . 15617 1 915 . 1 1 137 137 ILE CD1 C 13 14.000 0.5 . 1 . . . . 137 I CD1 . 15617 1 916 . 1 1 137 137 ILE CG2 C 13 17.700 0.5 . 1 . . . . 137 I CG2 . 15617 1 917 . 1 1 137 137 ILE N N 15 125.138 0.5 . 1 . . . . 137 I N . 15617 1 918 . 1 1 138 138 SER H H 1 8.858 0.05 . 1 . . . . 138 S HN . 15617 1 919 . 1 1 138 138 SER HG H 1 6.090 0.05 . 1 . . . . 138 S HG . 15617 1 920 . 1 1 138 138 SER C C 13 174.400 0.5 . 1 . . . . 138 S C . 15617 1 921 . 1 1 138 138 SER CA C 13 55.300 0.5 . 1 . . . . 138 S CA . 15617 1 922 . 1 1 138 138 SER CB C 13 66.800 0.5 . 1 . . . . 138 S CB . 15617 1 923 . 1 1 138 138 SER N N 15 117.838 0.5 . 1 . . . . 138 S N . 15617 1 924 . 1 1 139 139 HIS H H 1 7.557 0.05 . 1 . . . . 139 H HN . 15617 1 925 . 1 1 139 139 HIS C C 13 174.700 0.5 . 1 . . . . 139 H C . 15617 1 926 . 1 1 139 139 HIS CA C 13 56.400 0.5 . 1 . . . . 139 H CA . 15617 1 927 . 1 1 139 139 HIS CB C 13 31.600 0.5 . 1 . . . . 139 H CB . 15617 1 928 . 1 1 139 139 HIS N N 15 121.438 0.5 . 1 . . . . 139 H N . 15617 1 929 . 1 1 140 140 ALA H H 1 8.488 0.05 . 1 . . . . 140 A HN . 15617 1 930 . 1 1 140 140 ALA HA H 1 4.020 0.05 . 1 . . . . 140 A HA . 15617 1 931 . 1 1 140 140 ALA HB1 H 1 1.160 0.05 . 1 . . . . 140 A HB1 . 15617 1 932 . 1 1 140 140 ALA HB2 H 1 1.160 0.05 . 1 . . . . 140 A HB1 . 15617 1 933 . 1 1 140 140 ALA HB3 H 1 1.160 0.05 . 1 . . . . 140 A HB1 . 15617 1 934 . 1 1 140 140 ALA C C 13 174.100 0.5 . 1 . . . . 140 A C . 15617 1 935 . 1 1 140 140 ALA CA C 13 51.600 0.5 . 1 . . . . 140 A CA . 15617 1 936 . 1 1 140 140 ALA CB C 13 17.700 0.5 . 1 . . . . 140 A CB . 15617 1 937 . 1 1 140 140 ALA N N 15 124.638 0.5 . 1 . . . . 140 A N . 15617 1 938 . 1 1 141 141 GLY H H 1 7.250 0.05 . 1 . . . . 141 G HN . 15617 1 939 . 1 1 141 141 GLY CA C 13 45.300 0.5 . 1 . . . . 141 G CA . 15617 1 940 . 1 1 141 141 GLY N N 15 108.338 0.5 . 1 . . . . 141 G N . 15617 1 941 . 1 1 142 142 THR C C 13 175.400 0.5 . 1 . . . . 142 T C . 15617 1 942 . 1 1 143 143 GLY H H 1 8.587 0.05 . 1 . . . . 143 G HN . 15617 1 943 . 1 1 143 143 GLY HA2 H 1 3.870 0.05 . 2 . . . . 143 G HA2 . 15617 1 944 . 1 1 143 143 GLY C C 13 175.500 0.5 . 1 . . . . 143 G C . 15617 1 945 . 1 1 143 143 GLY CA C 13 47.400 0.5 . 1 . . . . 143 G CA . 15617 1 946 . 1 1 143 143 GLY N N 15 108.138 0.5 . 1 . . . . 143 G N . 15617 1 947 . 1 1 144 144 SER H H 1 7.557 0.05 . 1 . . . . 144 S HN . 15617 1 948 . 1 1 144 144 SER C C 13 177.500 0.5 . 1 . . . . 144 S C . 15617 1 949 . 1 1 144 144 SER CA C 13 60.900 0.5 . 1 . . . . 144 S CA . 15617 1 950 . 1 1 144 144 SER CB C 13 63.100 0.5 . 1 . . . . 144 S CB . 15617 1 951 . 1 1 144 144 SER N N 15 115.938 0.5 . 1 . . . . 144 S N . 15617 1 952 . 1 1 145 145 ILE H H 1 7.767 0.05 . 1 . . . . 145 I HN . 15617 1 953 . 1 1 145 145 ILE HA H 1 3.590 0.05 . 1 . . . . 145 I HA . 15617 1 954 . 1 1 145 145 ILE HB H 1 1.570 0.05 . 1 . . . . 145 I HB . 15617 1 955 . 1 1 145 145 ILE HD11 H 1 0.320 0.05 . 1 . . . . 145 I HD11 . 15617 1 956 . 1 1 145 145 ILE HD12 H 1 0.320 0.05 . 1 . . . . 145 I HD11 . 15617 1 957 . 1 1 145 145 ILE HD13 H 1 0.320 0.05 . 1 . . . . 145 I HD11 . 15617 1 958 . 1 1 145 145 ILE HG12 H 1 1.390 0.05 . 1 . . . . 145 I HG12 . 15617 1 959 . 1 1 145 145 ILE HG21 H 1 -0.310 0.05 . 1 . . . . 145 I HG21 . 15617 1 960 . 1 1 145 145 ILE HG22 H 1 -0.310 0.05 . 1 . . . . 145 I HG21 . 15617 1 961 . 1 1 145 145 ILE HG23 H 1 -0.310 0.05 . 1 . . . . 145 I HG21 . 15617 1 962 . 1 1 145 145 ILE C C 13 177.300 0.5 . 1 . . . . 145 I C . 15617 1 963 . 1 1 145 145 ILE CA C 13 65.300 0.5 . 1 . . . . 145 I CA . 15617 1 964 . 1 1 145 145 ILE CB C 13 37.200 0.5 . 1 . . . . 145 I CB . 15617 1 965 . 1 1 145 145 ILE CD1 C 13 14.400 0.5 . 1 . . . . 145 I CD1 . 15617 1 966 . 1 1 145 145 ILE CG1 C 13 27.300 0.5 . 1 . . . . 145 I CG1 . 15617 1 967 . 1 1 145 145 ILE CG2 C 13 15.800 0.5 . 1 . . . . 145 I CG2 . 15617 1 968 . 1 1 145 145 ILE N N 15 121.038 0.5 . 1 . . . . 145 I N . 15617 1 969 . 1 1 146 146 LEU H H 1 8.078 0.05 . 1 . . . . 146 L HN . 15617 1 970 . 1 1 146 146 LEU HB2 H 1 1.370 0.05 . 2 . . . . 146 L HB2 . 15617 1 971 . 1 1 146 146 LEU HD11 H 1 0.760 0.05 . 2 . . . . 146 L HD11 . 15617 1 972 . 1 1 146 146 LEU HD12 H 1 0.760 0.05 . 2 . . . . 146 L HD11 . 15617 1 973 . 1 1 146 146 LEU HD13 H 1 0.760 0.05 . 2 . . . . 146 L HD11 . 15617 1 974 . 1 1 146 146 LEU HD21 H 1 0.860 0.05 . 2 . . . . 146 L HD21 . 15617 1 975 . 1 1 146 146 LEU HD22 H 1 0.860 0.05 . 2 . . . . 146 L HD21 . 15617 1 976 . 1 1 146 146 LEU HD23 H 1 0.860 0.05 . 2 . . . . 146 L HD21 . 15617 1 977 . 1 1 146 146 LEU C C 13 178.700 0.5 . 1 . . . . 146 L C . 15617 1 978 . 1 1 146 146 LEU CA C 13 57.700 0.5 . 1 . . . . 146 L CA . 15617 1 979 . 1 1 146 146 LEU CB C 13 40.700 0.5 . 1 . . . . 146 L CB . 15617 1 980 . 1 1 146 146 LEU CD1 C 13 23.300 0.5 . 1 . . . . 146 L CD1 . 15617 1 981 . 1 1 146 146 LEU CD2 C 13 25.600 0.5 . 1 . . . . 146 L CD2 . 15617 1 982 . 1 1 146 146 LEU CG C 13 26.600 0.5 . 1 . . . . 146 L CG . 15617 1 983 . 1 1 146 146 LEU N N 15 117.538 0.5 . 1 . . . . 146 L N . 15617 1 984 . 1 1 147 147 ASP H H 1 8.097 0.05 . 1 . . . . 147 D HN . 15617 1 985 . 1 1 147 147 ASP HB2 H 1 2.790 0.05 . 2 . . . . 147 D HB2 . 15617 1 986 . 1 1 147 147 ASP C C 13 178.900 0.5 . 1 . . . . 147 D C . 15617 1 987 . 1 1 147 147 ASP CA C 13 57.700 0.5 . 1 . . . . 147 D CA . 15617 1 988 . 1 1 147 147 ASP CB C 13 40.500 0.5 . 1 . . . . 147 D CB . 15617 1 989 . 1 1 147 147 ASP N N 15 117.938 0.5 . 1 . . . . 147 D N . 15617 1 990 . 1 1 148 148 SER H H 1 7.157 0.05 . 1 . . . . 148 S HN . 15617 1 991 . 1 1 148 148 SER HB2 H 1 4.360 0.05 . 2 . . . . 148 S HB2 . 15617 1 992 . 1 1 148 148 SER C C 13 176.500 0.5 . 1 . . . . 148 S C . 15617 1 993 . 1 1 148 148 SER CA C 13 63.500 0.5 . 1 . . . . 148 S CA . 15617 1 994 . 1 1 148 148 SER CB C 13 64.300 0.5 . 1 . . . . 148 S CB . 15617 1 995 . 1 1 148 148 SER N N 15 112.838 0.5 . 1 . . . . 148 S N . 15617 1 996 . 1 1 149 149 LEU H H 1 8.137 0.05 . 1 . . . . 149 L HN . 15617 1 997 . 1 1 149 149 LEU HA H 1 4.330 0.05 . 1 . . . . 149 L HA . 15617 1 998 . 1 1 149 149 LEU HD11 H 1 0.700 0.05 . 2 . . . . 149 L HD11 . 15617 1 999 . 1 1 149 149 LEU HD12 H 1 0.700 0.05 . 2 . . . . 149 L HD11 . 15617 1 1000 . 1 1 149 149 LEU HD13 H 1 0.700 0.05 . 2 . . . . 149 L HD11 . 15617 1 1001 . 1 1 149 149 LEU HD21 H 1 0.100 0.05 . 2 . . . . 149 L HD21 . 15617 1 1002 . 1 1 149 149 LEU HD22 H 1 0.100 0.05 . 2 . . . . 149 L HD21 . 15617 1 1003 . 1 1 149 149 LEU HD23 H 1 0.100 0.05 . 2 . . . . 149 L HD21 . 15617 1 1004 . 1 1 149 149 LEU C C 13 181.300 0.5 . 1 . . . . 149 L C . 15617 1 1005 . 1 1 149 149 LEU CA C 13 57.600 0.5 . 1 . . . . 149 L CA . 15617 1 1006 . 1 1 149 149 LEU CB C 13 39.500 0.5 . 1 . . . . 149 L CB . 15617 1 1007 . 1 1 149 149 LEU CD1 C 13 22.300 0.5 . 1 . . . . 149 L CD1 . 15617 1 1008 . 1 1 149 149 LEU CD2 C 13 26.700 0.5 . 1 . . . . 149 L CD2 . 15617 1 1009 . 1 1 149 149 LEU N N 15 120.938 0.5 . 1 . . . . 149 L N . 15617 1 1010 . 1 1 150 150 ARG H H 1 8.507 0.05 . 1 . . . . 150 R HN . 15617 1 1011 . 1 1 150 150 ARG C C 13 177.500 0.5 . 1 . . . . 150 R C . 15617 1 1012 . 1 1 150 150 ARG CA C 13 59.000 0.5 . 1 . . . . 150 R CA . 15617 1 1013 . 1 1 150 150 ARG CB C 13 29.400 0.5 . 1 . . . . 150 R CB . 15617 1 1014 . 1 1 150 150 ARG N N 15 118.038 0.5 . 1 . . . . 150 R N . 15617 1 1015 . 1 1 151 151 LEU H H 1 6.887 0.05 . 1 . . . . 151 L HN . 15617 1 1016 . 1 1 151 151 LEU HD11 H 1 0.870 0.05 . 2 . . . . 151 L HD11 . 15617 1 1017 . 1 1 151 151 LEU HD12 H 1 0.870 0.05 . 2 . . . . 151 L HD11 . 15617 1 1018 . 1 1 151 151 LEU HD13 H 1 0.870 0.05 . 2 . . . . 151 L HD11 . 15617 1 1019 . 1 1 151 151 LEU HD21 H 1 0.890 0.05 . 2 . . . . 151 L HD21 . 15617 1 1020 . 1 1 151 151 LEU HD22 H 1 0.890 0.05 . 2 . . . . 151 L HD21 . 15617 1 1021 . 1 1 151 151 LEU HD23 H 1 0.890 0.05 . 2 . . . . 151 L HD21 . 15617 1 1022 . 1 1 151 151 LEU HG H 1 1.730 0.05 . 1 . . . . 151 L HG . 15617 1 1023 . 1 1 151 151 LEU C C 13 175.700 0.5 . 1 . . . . 151 L C . 15617 1 1024 . 1 1 151 151 LEU CA C 13 54.100 0.5 . 1 . . . . 151 L CA . 15617 1 1025 . 1 1 151 151 LEU CB C 13 41.700 0.5 . 1 . . . . 151 L CB . 15617 1 1026 . 1 1 151 151 LEU CD1 C 13 22.700 0.5 . 1 . . . . 151 L CD1 . 15617 1 1027 . 1 1 151 151 LEU CD2 C 13 27.000 0.5 . 1 . . . . 151 L CD2 . 15617 1 1028 . 1 1 151 151 LEU N N 15 117.338 0.5 . 1 . . . . 151 L N . 15617 1 1029 . 1 1 152 152 ASN H H 1 8.190 0.05 . 1 . . . . 152 N HN . 15617 1 1030 . 1 1 152 152 ASN HB2 H 1 2.740 0.05 . 2 . . . . 152 N HB2 . 15617 1 1031 . 1 1 152 152 ASN HD21 H 1 6.890 0.05 . 2 . . . . 152 N HD21 . 15617 1 1032 . 1 1 152 152 ASN HD22 H 1 7.570 0.05 . 2 . . . . 152 N HD22 . 15617 1 1033 . 1 1 152 152 ASN C C 13 174.400 0.5 . 1 . . . . 152 N C . 15617 1 1034 . 1 1 152 152 ASN CA C 13 54.100 0.5 . 1 . . . . 152 N CA . 15617 1 1035 . 1 1 152 152 ASN CB C 13 37.400 0.5 . 1 . . . . 152 N CB . 15617 1 1036 . 1 1 152 152 ASN N N 15 115.338 0.5 . 1 . . . . 152 N N . 15617 1 1037 . 1 1 152 152 ASN ND2 N 15 115.400 0.5 . 1 . . . . 152 N ND2 . 15617 1 1038 . 1 1 153 153 LYS H H 1 7.477 0.05 . 1 . . . . 153 K HN . 15617 1 1039 . 1 1 153 153 LYS CA C 13 51.300 0.5 . 1 . . . . 153 K CA . 15617 1 1040 . 1 1 153 153 LYS CB C 13 31.100 0.5 . 1 . . . . 153 K CB . 15617 1 1041 . 1 1 153 153 LYS N N 15 116.638 0.5 . 1 . . . . 153 K N . 15617 1 1042 . 1 1 154 154 PRO C C 13 176.400 0.5 . 1 . . . . 154 P C . 15617 1 1043 . 1 1 154 154 PRO CB C 13 31.300 0.5 . 1 . . . . 154 P CB . 15617 1 1044 . 1 1 155 155 LEU H H 1 9.108 0.05 . 1 . . . . 155 L HN . 15617 1 1045 . 1 1 155 155 LEU HD11 H 1 0.710 0.05 . 2 . . . . 155 L HD11 . 15617 1 1046 . 1 1 155 155 LEU HD12 H 1 0.710 0.05 . 2 . . . . 155 L HD11 . 15617 1 1047 . 1 1 155 155 LEU HD13 H 1 0.710 0.05 . 2 . . . . 155 L HD11 . 15617 1 1048 . 1 1 155 155 LEU HD21 H 1 0.770 0.05 . 2 . . . . 155 L HD21 . 15617 1 1049 . 1 1 155 155 LEU HD22 H 1 0.770 0.05 . 2 . . . . 155 L HD21 . 15617 1 1050 . 1 1 155 155 LEU HD23 H 1 0.770 0.05 . 2 . . . . 155 L HD21 . 15617 1 1051 . 1 1 155 155 LEU C C 13 174.200 0.5 . 1 . . . . 155 L C . 15617 1 1052 . 1 1 155 155 LEU CA C 13 54.300 0.5 . 1 . . . . 155 L CA . 15617 1 1053 . 1 1 155 155 LEU CD1 C 13 29.200 0.5 . 1 . . . . 155 L CD1 . 15617 1 1054 . 1 1 155 155 LEU CD2 C 13 24.700 0.5 . 1 . . . . 155 L CD2 . 15617 1 1055 . 1 1 155 155 LEU N N 15 116.938 0.5 . 1 . . . . 155 L N . 15617 1 1056 . 1 1 156 156 ILE H H 1 8.950 0.05 . 1 . . . . 156 I HN . 15617 1 1057 . 1 1 156 156 ILE HB H 1 1.810 0.05 . 1 . . . . 156 I HB . 15617 1 1058 . 1 1 156 156 ILE HD11 H 1 0.610 0.05 . 1 . . . . 156 I HD11 . 15617 1 1059 . 1 1 156 156 ILE HD12 H 1 0.610 0.05 . 1 . . . . 156 I HD11 . 15617 1 1060 . 1 1 156 156 ILE HD13 H 1 0.610 0.05 . 1 . . . . 156 I HD11 . 15617 1 1061 . 1 1 156 156 ILE HG21 H 1 0.710 0.05 . 1 . . . . 156 I HG21 . 15617 1 1062 . 1 1 156 156 ILE HG22 H 1 0.710 0.05 . 1 . . . . 156 I HG21 . 15617 1 1063 . 1 1 156 156 ILE HG23 H 1 0.710 0.05 . 1 . . . . 156 I HG21 . 15617 1 1064 . 1 1 156 156 ILE C C 13 174.800 0.5 . 1 . . . . 156 I C . 15617 1 1065 . 1 1 156 156 ILE CA C 13 59.300 0.5 . 1 . . . . 156 I CA . 15617 1 1066 . 1 1 156 156 ILE CB C 13 40.100 0.5 . 1 . . . . 156 I CB . 15617 1 1067 . 1 1 156 156 ILE CD1 C 13 13.300 0.5 . 1 . . . . 156 I CD1 . 15617 1 1068 . 1 1 156 156 ILE CG2 C 13 18.000 0.5 . 1 . . . . 156 I CG2 . 15617 1 1069 . 1 1 156 156 ILE N N 15 125.600 0.5 . 1 . . . . 156 I N . 15617 1 1070 . 1 1 157 157 VAL H H 1 9.318 0.05 . 1 . . . . 157 V HN . 15617 1 1071 . 1 1 157 157 VAL HG11 H 1 0.750 0.05 . 2 . . . . 157 V HG11 . 15617 1 1072 . 1 1 157 157 VAL HG12 H 1 0.750 0.05 . 2 . . . . 157 V HG11 . 15617 1 1073 . 1 1 157 157 VAL HG13 H 1 0.750 0.05 . 2 . . . . 157 V HG11 . 15617 1 1074 . 1 1 157 157 VAL HG21 H 1 0.690 0.05 . 2 . . . . 157 V HG21 . 15617 1 1075 . 1 1 157 157 VAL HG22 H 1 0.690 0.05 . 2 . . . . 157 V HG21 . 15617 1 1076 . 1 1 157 157 VAL HG23 H 1 0.690 0.05 . 2 . . . . 157 V HG21 . 15617 1 1077 . 1 1 157 157 VAL C C 13 174.400 0.5 . 1 . . . . 157 V C . 15617 1 1078 . 1 1 157 157 VAL CA C 13 60.200 0.5 . 1 . . . . 157 V CA . 15617 1 1079 . 1 1 157 157 VAL CB C 13 33.100 0.5 . 1 . . . . 157 V CB . 15617 1 1080 . 1 1 157 157 VAL CG1 C 13 21.900 0.5 . 1 . . . . 157 V CG1 . 15617 1 1081 . 1 1 157 157 VAL CG2 C 13 22.100 0.5 . 1 . . . . 157 V CG2 . 15617 1 1082 . 1 1 157 157 VAL N N 15 124.838 0.5 . 1 . . . . 157 V N . 15617 1 1083 . 1 1 158 158 CYS H H 1 8.847 0.05 . 1 . . . . 158 C HN . 15617 1 1084 . 1 1 158 158 CYS HB2 H 1 2.160 0.05 . 2 . . . . 158 C HB1 . 15617 1 1085 . 1 1 158 158 CYS HB3 H 1 2.490 0.05 . 2 . . . . 158 C HB2 . 15617 1 1086 . 1 1 158 158 CYS C C 13 173.800 0.5 . 1 . . . . 158 C C . 15617 1 1087 . 1 1 158 158 CYS CA C 13 56.800 0.5 . 1 . . . . 158 C CA . 15617 1 1088 . 1 1 158 158 CYS CB C 13 29.300 0.5 . 1 . . . . 158 C CB . 15617 1 1089 . 1 1 158 158 CYS N N 15 127.238 0.5 . 1 . . . . 158 C N . 15617 1 1090 . 1 1 159 159 VAL H H 1 8.408 0.05 . 1 . . . . 159 V HN . 15617 1 1091 . 1 1 159 159 VAL HB H 1 1.740 0.05 . 1 . . . . 159 V HB . 15617 1 1092 . 1 1 159 159 VAL HG11 H 1 0.790 0.05 . 2 . . . . 159 V HG11 . 15617 1 1093 . 1 1 159 159 VAL HG12 H 1 0.790 0.05 . 2 . . . . 159 V HG11 . 15617 1 1094 . 1 1 159 159 VAL HG13 H 1 0.790 0.05 . 2 . . . . 159 V HG11 . 15617 1 1095 . 1 1 159 159 VAL HG21 H 1 0.740 0.05 . 2 . . . . 159 V HG21 . 15617 1 1096 . 1 1 159 159 VAL HG22 H 1 0.740 0.05 . 2 . . . . 159 V HG21 . 15617 1 1097 . 1 1 159 159 VAL HG23 H 1 0.740 0.05 . 2 . . . . 159 V HG21 . 15617 1 1098 . 1 1 159 159 VAL C C 13 174.900 0.5 . 1 . . . . 159 V C . 15617 1 1099 . 1 1 159 159 VAL CA C 13 63.700 0.5 . 1 . . . . 159 V CA . 15617 1 1100 . 1 1 159 159 VAL CB C 13 32.200 0.5 . 1 . . . . 159 V CB . 15617 1 1101 . 1 1 159 159 VAL CG1 C 13 22.100 0.5 . 1 . . . . 159 V CG1 . 15617 1 1102 . 1 1 159 159 VAL CG2 C 13 21.300 0.5 . 1 . . . . 159 V CG2 . 15617 1 1103 . 1 1 159 159 VAL N N 15 127.338 0.5 . 1 . . . . 159 V N . 15617 1 1104 . 1 1 160 160 ASN H H 1 8.208 0.05 . 1 . . . . 160 N HN . 15617 1 1105 . 1 1 160 160 ASN C C 13 175.100 0.5 . 1 . . . . 160 N C . 15617 1 1106 . 1 1 160 160 ASN CA C 13 52.600 0.5 . 1 . . . . 160 N CA . 15617 1 1107 . 1 1 160 160 ASN CB C 13 36.900 0.5 . 1 . . . . 160 N CB . 15617 1 1108 . 1 1 160 160 ASN N N 15 124.138 0.5 . 1 . . . . 160 N N . 15617 1 1109 . 1 1 161 161 ASP H H 1 8.148 0.05 . 1 . . . . 161 D HN . 15617 1 1110 . 1 1 161 161 ASP HB2 H 1 2.640 0.05 . 2 . . . . 161 D HB1 . 15617 1 1111 . 1 1 161 161 ASP HB3 H 1 2.940 0.05 . 2 . . . . 161 D HB2 . 15617 1 1112 . 1 1 161 161 ASP C C 13 176.900 0.5 . 1 . . . . 161 D C . 15617 1 1113 . 1 1 161 161 ASP CA C 13 54.500 0.5 . 1 . . . . 161 D CA . 15617 1 1114 . 1 1 161 161 ASP CB C 13 40.000 0.5 . 1 . . . . 161 D CB . 15617 1 1115 . 1 1 161 161 ASP N N 15 125.338 0.5 . 1 . . . . 161 D N . 15617 1 1116 . 1 1 162 162 SER H H 1 7.977 0.05 . 1 . . . . 162 S HN . 15617 1 1117 . 1 1 162 162 SER HB2 H 1 3.920 0.05 . 2 . . . . 162 S HB2 . 15617 1 1118 . 1 1 162 162 SER C C 13 174.400 0.5 . 1 . . . . 162 S C . 15617 1 1119 . 1 1 162 162 SER CA C 13 59.500 0.5 . 1 . . . . 162 S CA . 15617 1 1120 . 1 1 162 162 SER CB C 13 63.500 0.5 . 1 . . . . 162 S CB . 15617 1 1121 . 1 1 162 162 SER N N 15 114.638 0.5 . 1 . . . . 162 S N . 15617 1 1122 . 1 1 163 163 LEU H H 1 7.287 0.05 . 1 . . . . 163 L HN . 15617 1 1123 . 1 1 163 163 LEU HA H 1 3.890 0.05 . 1 . . . . 163 L HA . 15617 1 1124 . 1 1 163 163 LEU HB2 H 1 1.640 0.05 . 2 . . . . 163 L HB2 . 15617 1 1125 . 1 1 163 163 LEU HD11 H 1 0.850 0.05 . 2 . . . . 163 L HD11 . 15617 1 1126 . 1 1 163 163 LEU HD12 H 1 0.850 0.05 . 2 . . . . 163 L HD11 . 15617 1 1127 . 1 1 163 163 LEU HD13 H 1 0.850 0.05 . 2 . . . . 163 L HD11 . 15617 1 1128 . 1 1 163 163 LEU HD21 H 1 0.940 0.05 . 2 . . . . 163 L HD21 . 15617 1 1129 . 1 1 163 163 LEU HD22 H 1 0.940 0.05 . 2 . . . . 163 L HD21 . 15617 1 1130 . 1 1 163 163 LEU HD23 H 1 0.940 0.05 . 2 . . . . 163 L HD21 . 15617 1 1131 . 1 1 163 163 LEU HG H 1 1.410 0.05 . 1 . . . . 163 L HG . 15617 1 1132 . 1 1 163 163 LEU C C 13 177.100 0.5 . 1 . . . . 163 L C . 15617 1 1133 . 1 1 163 163 LEU CA C 13 54.700 0.5 . 1 . . . . 163 L CA . 15617 1 1134 . 1 1 163 163 LEU CB C 13 41.500 0.5 . 1 . . . . 163 L CB . 15617 1 1135 . 1 1 163 163 LEU CD1 C 13 23.100 0.5 . 1 . . . . 163 L CD1 . 15617 1 1136 . 1 1 163 163 LEU CD2 C 13 25.200 0.5 . 1 . . . . 163 L CD2 . 15617 1 1137 . 1 1 163 163 LEU CG C 13 27.100 0.5 . 1 . . . . 163 L CG . 15617 1 1138 . 1 1 163 163 LEU N N 15 120.938 0.5 . 1 . . . . 163 L N . 15617 1 1139 . 1 1 164 164 MET H H 1 8.347 0.05 . 1 . . . . 164 M HN . 15617 1 1140 . 1 1 164 164 MET HG2 H 1 2.480 0.05 . 2 . . . . 164 M HG1 . 15617 1 1141 . 1 1 164 164 MET HG3 H 1 2.600 0.05 . 2 . . . . 164 M HG2 . 15617 1 1142 . 1 1 164 164 MET C C 13 175.600 0.5 . 1 . . . . 164 M C . 15617 1 1143 . 1 1 164 164 MET CA C 13 55.800 0.5 . 1 . . . . 164 M CA . 15617 1 1144 . 1 1 164 164 MET CB C 13 31.200 0.5 . 1 . . . . 164 M CB . 15617 1 1145 . 1 1 164 164 MET N N 15 119.138 0.5 . 1 . . . . 164 M N . 15617 1 1146 . 1 1 165 165 ASP H H 1 7.938 0.05 . 1 . . . . 165 D HN . 15617 1 1147 . 1 1 165 165 ASP C C 13 175.800 0.5 . 1 . . . . 165 D C . 15617 1 1148 . 1 1 165 165 ASP CA C 13 53.800 0.5 . 1 . . . . 165 D CA . 15617 1 1149 . 1 1 165 165 ASP CB C 13 41.800 0.5 . 1 . . . . 165 D CB . 15617 1 1150 . 1 1 165 165 ASP N N 15 118.438 0.5 . 1 . . . . 165 D N . 15617 1 1151 . 1 1 166 166 ASN H H 1 8.448 0.05 . 1 . . . . 166 N HN . 15617 1 1152 . 1 1 166 166 ASN C C 13 176.500 0.5 . 1 . . . . 166 N C . 15617 1 1153 . 1 1 166 166 ASN CA C 13 53.800 0.5 . 1 . . . . 166 N CA . 15617 1 1154 . 1 1 166 166 ASN CB C 13 38.700 0.5 . 1 . . . . 166 N CB . 15617 1 1155 . 1 1 166 166 ASN N N 15 119.238 0.5 . 1 . . . . 166 N N . 15617 1 1156 . 1 1 167 167 HIS H H 1 8.597 0.05 . 1 . . . . 167 H HN . 15617 1 1157 . 1 1 167 167 HIS C C 13 176.700 0.5 . 1 . . . . 167 H C . 15617 1 1158 . 1 1 167 167 HIS CA C 13 59.000 0.5 . 1 . . . . 167 H CA . 15617 1 1159 . 1 1 167 167 HIS N N 15 118.938 0.5 . 1 . . . . 167 H N . 15617 1 1160 . 1 1 168 168 GLN H H 1 8.427 0.05 . 1 . . . . 168 Q HN . 15617 1 1161 . 1 1 168 168 GLN C C 13 177.900 0.5 . 1 . . . . 168 Q C . 15617 1 1162 . 1 1 168 168 GLN CA C 13 59.900 0.5 . 1 . . . . 168 Q CA . 15617 1 1163 . 1 1 168 168 GLN CB C 13 28.100 0.5 . 1 . . . . 168 Q CB . 15617 1 1164 . 1 1 168 168 GLN N N 15 117.638 0.5 . 1 . . . . 168 Q N . 15617 1 1165 . 1 1 169 169 GLN H H 1 8.150 0.05 . 1 . . . . 169 Q HN . 15617 1 1166 . 1 1 169 169 GLN HG2 H 1 2.380 0.05 . 2 . . . . 169 Q HG2 . 15617 1 1167 . 1 1 169 169 GLN C C 13 177.200 0.5 . 1 . . . . 169 Q C . 15617 1 1168 . 1 1 169 169 GLN CA C 13 58.200 0.5 . 1 . . . . 169 Q CA . 15617 1 1169 . 1 1 169 169 GLN CB C 13 28.100 0.5 . 1 . . . . 169 Q CB . 15617 1 1170 . 1 1 169 169 GLN N N 15 118.700 0.5 . 1 . . . . 169 Q N . 15617 1 1171 . 1 1 170 170 GLN H H 1 7.787 0.05 . 1 . . . . 170 Q HN . 15617 1 1172 . 1 1 170 170 GLN HA H 1 4.090 0.05 . 1 . . . . 170 Q HA . 15617 1 1173 . 1 1 170 170 GLN C C 13 179.300 0.5 . 1 . . . . 170 Q C . 15617 1 1174 . 1 1 170 170 GLN CA C 13 58.900 0.5 . 1 . . . . 170 Q CA . 15617 1 1175 . 1 1 170 170 GLN CB C 13 28.200 0.5 . 1 . . . . 170 Q CB . 15617 1 1176 . 1 1 170 170 GLN N N 15 116.838 0.5 . 1 . . . . 170 Q N . 15617 1 1177 . 1 1 171 171 ILE H H 1 7.787 0.05 . 1 . . . . 171 I HN . 15617 1 1178 . 1 1 171 171 ILE HA H 1 3.640 0.05 . 1 . . . . 171 I HA . 15617 1 1179 . 1 1 171 171 ILE HB H 1 1.940 0.05 . 1 . . . . 171 I HB . 15617 1 1180 . 1 1 171 171 ILE HG12 H 1 1.050 0.05 . 1 . . . . 171 I HG11 . 15617 1 1181 . 1 1 171 171 ILE HG13 H 1 1.580 0.05 . 1 . . . . 171 I HG12 . 15617 1 1182 . 1 1 171 171 ILE HG21 H 1 0.800 0.05 . 1 . . . . 171 I HG21 . 15617 1 1183 . 1 1 171 171 ILE HG22 H 1 0.800 0.05 . 1 . . . . 171 I HG21 . 15617 1 1184 . 1 1 171 171 ILE HG23 H 1 0.800 0.05 . 1 . . . . 171 I HG21 . 15617 1 1185 . 1 1 171 171 ILE C C 13 177.500 0.5 . 1 . . . . 171 I C . 15617 1 1186 . 1 1 171 171 ILE CA C 13 64.100 0.5 . 1 . . . . 171 I CA . 15617 1 1187 . 1 1 171 171 ILE CB C 13 37.100 0.5 . 1 . . . . 171 I CB . 15617 1 1188 . 1 1 171 171 ILE N N 15 120.038 0.5 . 1 . . . . 171 I N . 15617 1 1189 . 1 1 172 172 ALA H H 1 8.057 0.05 . 1 . . . . 172 A HN . 15617 1 1190 . 1 1 172 172 ALA HB1 H 1 1.290 0.05 . 1 . . . . 172 A HB1 . 15617 1 1191 . 1 1 172 172 ALA HB2 H 1 1.290 0.05 . 1 . . . . 172 A HB1 . 15617 1 1192 . 1 1 172 172 ALA HB3 H 1 1.290 0.05 . 1 . . . . 172 A HB1 . 15617 1 1193 . 1 1 172 172 ALA C C 13 178.800 0.5 . 1 . . . . 172 A C . 15617 1 1194 . 1 1 172 172 ALA CA C 13 56.400 0.5 . 1 . . . . 172 A CA . 15617 1 1195 . 1 1 172 172 ALA CB C 13 18.200 0.5 . 1 . . . . 172 A CB . 15617 1 1196 . 1 1 172 172 ALA N N 15 121.738 0.5 . 1 . . . . 172 A N . 15617 1 1197 . 1 1 173 173 ASP H H 1 8.688 0.05 . 1 . . . . 173 D HN . 15617 1 1198 . 1 1 173 173 ASP C C 13 179.300 0.5 . 1 . . . . 173 D C . 15617 1 1199 . 1 1 173 173 ASP CA C 13 57.100 0.5 . 1 . . . . 173 D CA . 15617 1 1200 . 1 1 173 173 ASP CB C 13 39.800 0.5 . 1 . . . . 173 D CB . 15617 1 1201 . 1 1 173 173 ASP N N 15 115.038 0.5 . 1 . . . . 173 D N . 15617 1 1202 . 1 1 174 174 LYS H H 1 7.818 0.05 . 1 . . . . 174 K HN . 15617 1 1203 . 1 1 174 174 LYS C C 13 178.400 0.5 . 1 . . . . 174 K C . 15617 1 1204 . 1 1 174 174 LYS CA C 13 57.700 0.5 . 1 . . . . 174 K CA . 15617 1 1205 . 1 1 174 174 LYS CB C 13 30.700 0.5 . 1 . . . . 174 K CB . 15617 1 1206 . 1 1 174 174 LYS N N 15 120.638 0.5 . 1 . . . . 174 K N . 15617 1 1207 . 1 1 175 175 PHE H H 1 7.938 0.05 . 1 . . . . 175 F HN . 15617 1 1208 . 1 1 175 175 PHE HB2 H 1 2.970 0.05 . 2 . . . . 175 F HB1 . 15617 1 1209 . 1 1 175 175 PHE HB3 H 1 3.070 0.05 . 2 . . . . 175 F HB2 . 15617 1 1210 . 1 1 175 175 PHE HD1 H 1 7.350 0.05 . 3 . . . . 175 F HD1 . 15617 1 1211 . 1 1 175 175 PHE HE1 H 1 6.980 0.05 . 3 . . . . 175 F HE1 . 15617 1 1212 . 1 1 175 175 PHE C C 13 178.400 0.5 . 1 . . . . 175 F C . 15617 1 1213 . 1 1 175 175 PHE CA C 13 63.200 0.5 . 1 . . . . 175 F CA . 15617 1 1214 . 1 1 175 175 PHE CB C 13 39.400 0.5 . 1 . . . . 175 F CB . 15617 1 1215 . 1 1 175 175 PHE N N 15 116.038 0.5 . 1 . . . . 175 F N . 15617 1 1216 . 1 1 176 176 VAL H H 1 8.420 0.05 . 1 . . . . 176 V HN . 15617 1 1217 . 1 1 176 176 VAL HG11 H 1 1.000 0.05 . 2 . . . . 176 V HG11 . 15617 1 1218 . 1 1 176 176 VAL HG12 H 1 1.000 0.05 . 2 . . . . 176 V HG11 . 15617 1 1219 . 1 1 176 176 VAL HG13 H 1 1.000 0.05 . 2 . . . . 176 V HG11 . 15617 1 1220 . 1 1 176 176 VAL HG21 H 1 0.990 0.05 . 2 . . . . 176 V HG21 . 15617 1 1221 . 1 1 176 176 VAL HG22 H 1 0.990 0.05 . 2 . . . . 176 V HG21 . 15617 1 1222 . 1 1 176 176 VAL HG23 H 1 0.990 0.05 . 2 . . . . 176 V HG21 . 15617 1 1223 . 1 1 176 176 VAL C C 13 180.500 0.5 . 1 . . . . 176 V C . 15617 1 1224 . 1 1 176 176 VAL CA C 13 66.100 0.5 . 1 . . . . 176 V CA . 15617 1 1225 . 1 1 176 176 VAL CB C 13 31.900 0.5 . 1 . . . . 176 V CB . 15617 1 1226 . 1 1 176 176 VAL CG1 C 13 21.600 0.5 . 1 . . . . 176 V CG1 . 15617 1 1227 . 1 1 176 176 VAL CG2 C 13 23.900 0.5 . 1 . . . . 176 V CG2 . 15617 1 1228 . 1 1 176 176 VAL N N 15 121.838 0.5 . 1 . . . . 176 V N . 15617 1 1229 . 1 1 177 177 GLU H H 1 8.517 0.05 . 1 . . . . 177 E HN . 15617 1 1230 . 1 1 177 177 GLU HA H 1 3.930 0.05 . 1 . . . . 177 E HA . 15617 1 1231 . 1 1 177 177 GLU C C 13 179.000 0.5 . 1 . . . . 177 E C . 15617 1 1232 . 1 1 177 177 GLU CA C 13 59.200 0.5 . 1 . . . . 177 E CA . 15617 1 1233 . 1 1 177 177 GLU CB C 13 29.000 0.5 . 1 . . . . 177 E CB . 15617 1 1234 . 1 1 177 177 GLU N N 15 124.138 0.5 . 1 . . . . 177 E N . 15617 1 1235 . 1 1 178 178 LEU H H 1 7.767 0.05 . 1 . . . . 178 L HN . 15617 1 1236 . 1 1 178 178 LEU HD11 H 1 0.820 0.05 . 2 . . . . 178 L HD11 . 15617 1 1237 . 1 1 178 178 LEU HD12 H 1 0.820 0.05 . 2 . . . . 178 L HD11 . 15617 1 1238 . 1 1 178 178 LEU HD13 H 1 0.820 0.05 . 2 . . . . 178 L HD11 . 15617 1 1239 . 1 1 178 178 LEU HD21 H 1 0.720 0.05 . 2 . . . . 178 L HD21 . 15617 1 1240 . 1 1 178 178 LEU HD22 H 1 0.720 0.05 . 2 . . . . 178 L HD21 . 15617 1 1241 . 1 1 178 178 LEU HD23 H 1 0.720 0.05 . 2 . . . . 178 L HD21 . 15617 1 1242 . 1 1 178 178 LEU C C 13 176.700 0.5 . 1 . . . . 178 L C . 15617 1 1243 . 1 1 178 178 LEU CA C 13 55.400 0.5 . 1 . . . . 178 L CA . 15617 1 1244 . 1 1 178 178 LEU CB C 13 42.600 0.5 . 1 . . . . 178 L CB . 15617 1 1245 . 1 1 178 178 LEU CD1 C 13 22.400 0.5 . 1 . . . . 178 L CD1 . 15617 1 1246 . 1 1 178 178 LEU CD2 C 13 25.500 0.5 . 1 . . . . 178 L CD2 . 15617 1 1247 . 1 1 178 178 LEU CG C 13 26.900 0.5 . 1 . . . . 178 L CG . 15617 1 1248 . 1 1 178 178 LEU N N 15 116.138 0.5 . 1 . . . . 178 L N . 15617 1 1249 . 1 1 179 179 GLY H H 1 7.588 0.05 . 1 . . . . 179 G HN . 15617 1 1250 . 1 1 179 179 GLY C C 13 174.500 0.5 . 1 . . . . 179 G C . 15617 1 1251 . 1 1 179 179 GLY CA C 13 45.500 0.5 . 1 . . . . 179 G CA . 15617 1 1252 . 1 1 179 179 GLY N N 15 104.038 0.5 . 1 . . . . 179 G N . 15617 1 1253 . 1 1 180 180 TYR H H 1 7.537 0.05 . 1 . . . . 180 Y HN . 15617 1 1254 . 1 1 180 180 TYR HA H 1 4.090 0.05 . 1 . . . . 180 Y HA . 15617 1 1255 . 1 1 180 180 TYR C C 13 175.600 0.5 . 1 . . . . 180 Y C . 15617 1 1256 . 1 1 180 180 TYR CA C 13 58.000 0.5 . 1 . . . . 180 Y CA . 15617 1 1257 . 1 1 180 180 TYR CB C 13 41.900 0.5 . 1 . . . . 180 Y CB . 15617 1 1258 . 1 1 180 180 TYR N N 15 113.038 0.5 . 1 . . . . 180 Y N . 15617 1 1259 . 1 1 181 181 VAL H H 1 6.818 0.05 . 1 . . . . 181 V HN . 15617 1 1260 . 1 1 181 181 VAL HA H 1 3.490 0.05 . 1 . . . . 181 V HA . 15617 1 1261 . 1 1 181 181 VAL HG11 H 1 0.450 0.05 . 2 . . . . 181 V HG11 . 15617 1 1262 . 1 1 181 181 VAL HG12 H 1 0.450 0.05 . 2 . . . . 181 V HG11 . 15617 1 1263 . 1 1 181 181 VAL HG13 H 1 0.450 0.05 . 2 . . . . 181 V HG11 . 15617 1 1264 . 1 1 181 181 VAL HG21 H 1 0.760 0.05 . 2 . . . . 181 V HG21 . 15617 1 1265 . 1 1 181 181 VAL HG22 H 1 0.760 0.05 . 2 . . . . 181 V HG21 . 15617 1 1266 . 1 1 181 181 VAL HG23 H 1 0.760 0.05 . 2 . . . . 181 V HG21 . 15617 1 1267 . 1 1 181 181 VAL C C 13 174.200 0.5 . 1 . . . . 181 V C . 15617 1 1268 . 1 1 181 181 VAL CA C 13 57.900 0.5 . 1 . . . . 181 V CA . 15617 1 1269 . 1 1 181 181 VAL CB C 13 35.100 0.5 . 1 . . . . 181 V CB . 15617 1 1270 . 1 1 181 181 VAL CG1 C 13 20.200 0.5 . 1 . . . . 181 V CG1 . 15617 1 1271 . 1 1 181 181 VAL CG2 C 13 23.700 0.5 . 1 . . . . 181 V CG2 . 15617 1 1272 . 1 1 181 181 VAL N N 15 105.738 0.5 . 1 . . . . 181 V N . 15617 1 1273 . 1 1 182 182 TRP H H 1 7.787 0.05 . 1 . . . . 182 W HN . 15617 1 1274 . 1 1 182 182 TRP HE1 H 1 10.140 0.05 . 1 . . . . 182 W HE1 . 15617 1 1275 . 1 1 182 182 TRP C C 13 175.400 0.5 . 1 . . . . 182 W C . 15617 1 1276 . 1 1 182 182 TRP CA C 13 58.900 0.5 . 1 . . . . 182 W CA . 15617 1 1277 . 1 1 182 182 TRP N N 15 117.938 0.5 . 1 . . . . 182 W N . 15617 1 1278 . 1 1 182 182 TRP NE1 N 15 130.100 0.5 . 1 . . . . 182 W NE1 . 15617 1 1279 . 1 1 183 183 SER H H 1 8.938 0.05 . 1 . . . . 183 S HN . 15617 1 1280 . 1 1 183 183 SER HB2 H 1 3.560 0.05 . 2 . . . . 183 S HB1 . 15617 1 1281 . 1 1 183 183 SER HB3 H 1 3.670 0.05 . 2 . . . . 183 S HB2 . 15617 1 1282 . 1 1 183 183 SER C C 13 173.400 0.5 . 1 . . . . 183 S C . 15617 1 1283 . 1 1 183 183 SER CA C 13 56.500 0.5 . 1 . . . . 183 S CA . 15617 1 1284 . 1 1 183 183 SER CB C 13 66.500 0.5 . 1 . . . . 183 S CB . 15617 1 1285 . 1 1 183 183 SER N N 15 115.138 0.5 . 1 . . . . 183 S N . 15617 1 1286 . 1 1 184 184 CYS H H 1 8.608 0.05 . 1 . . . . 184 C HN . 15617 1 1287 . 1 1 184 184 CYS HA H 1 3.580 0.05 . 1 . . . . 184 C HA . 15617 1 1288 . 1 1 184 184 CYS HB2 H 1 2.700 0.05 . 2 . . . . 184 C HB2 . 15617 1 1289 . 1 1 184 184 CYS HG H 1 1.710 0.05 . 1 . . . . 184 C HG . 15617 1 1290 . 1 1 184 184 CYS C C 13 172.100 0.5 . 1 . . . . 184 C C . 15617 1 1291 . 1 1 184 184 CYS CA C 13 55.900 0.5 . 1 . . . . 184 C CA . 15617 1 1292 . 1 1 184 184 CYS CB C 13 33.200 0.5 . 1 . . . . 184 C CB . 15617 1 1293 . 1 1 184 184 CYS N N 15 118.038 0.5 . 1 . . . . 184 C N . 15617 1 1294 . 1 1 185 185 ALA H H 1 8.408 0.05 . 1 . . . . 185 A HN . 15617 1 1295 . 1 1 185 185 ALA HB1 H 1 1.350 0.05 . 1 . . . . 185 A HB1 . 15617 1 1296 . 1 1 185 185 ALA HB2 H 1 1.350 0.05 . 1 . . . . 185 A HB1 . 15617 1 1297 . 1 1 185 185 ALA HB3 H 1 1.350 0.05 . 1 . . . . 185 A HB1 . 15617 1 1298 . 1 1 185 185 ALA CA C 13 49.900 0.5 . 1 . . . . 185 A CA . 15617 1 1299 . 1 1 185 185 ALA CB C 13 18.700 0.5 . 1 . . . . 185 A CB . 15617 1 1300 . 1 1 185 185 ALA N N 15 124.038 0.5 . 1 . . . . 185 A N . 15617 1 1301 . 1 1 186 186 PRO C C 13 173.500 0.5 . 1 . . . . 186 P C . 15617 1 1302 . 1 1 186 186 PRO CA C 13 61.500 0.5 . 1 . . . . 186 P CA . 15617 1 1303 . 1 1 186 186 PRO CB C 13 26.700 0.5 . 1 . . . . 186 P CB . 15617 1 1304 . 1 1 187 187 THR H H 1 8.417 0.05 . 1 . . . . 187 T HN . 15617 1 1305 . 1 1 187 187 THR HG21 H 1 1.050 0.05 . 1 . . . . 187 T HG21 . 15617 1 1306 . 1 1 187 187 THR HG22 H 1 1.050 0.05 . 1 . . . . 187 T HG21 . 15617 1 1307 . 1 1 187 187 THR HG23 H 1 1.050 0.05 . 1 . . . . 187 T HG21 . 15617 1 1308 . 1 1 187 187 THR C C 13 174.400 0.5 . 1 . . . . 187 T C . 15617 1 1309 . 1 1 187 187 THR CA C 13 59.200 0.5 . 1 . . . . 187 T CA . 15617 1 1310 . 1 1 187 187 THR CB C 13 71.900 0.5 . 1 . . . . 187 T CB . 15617 1 1311 . 1 1 187 187 THR CG2 C 13 21.700 0.5 . 1 . . . . 187 T CG2 . 15617 1 1312 . 1 1 187 187 THR N N 15 112.538 0.5 . 1 . . . . 187 T N . 15617 1 1313 . 1 1 188 188 GLU H H 1 9.708 0.05 . 1 . . . . 188 E HN . 15617 1 1314 . 1 1 188 188 GLU C C 13 178.000 0.5 . 1 . . . . 188 E C . 15617 1 1315 . 1 1 188 188 GLU CA C 13 62.400 0.5 . 1 . . . . 188 E CA . 15617 1 1316 . 1 1 188 188 GLU CB C 13 28.300 0.5 . 1 . . . . 188 E CB . 15617 1 1317 . 1 1 188 188 GLU N N 15 123.238 0.5 . 1 . . . . 188 E N . 15617 1 1318 . 1 1 189 189 THR H H 1 8.118 0.05 . 1 . . . . 189 T HN . 15617 1 1319 . 1 1 189 189 THR HB H 1 4.020 0.05 . 1 . . . . 189 T HB . 15617 1 1320 . 1 1 189 189 THR HG21 H 1 1.250 0.05 . 1 . . . . 189 T HG21 . 15617 1 1321 . 1 1 189 189 THR HG22 H 1 1.250 0.05 . 1 . . . . 189 T HG21 . 15617 1 1322 . 1 1 189 189 THR HG23 H 1 1.250 0.05 . 1 . . . . 189 T HG21 . 15617 1 1323 . 1 1 189 189 THR C C 13 177.500 0.5 . 1 . . . . 189 T C . 15617 1 1324 . 1 1 189 189 THR CA C 13 65.300 0.5 . 1 . . . . 189 T CA . 15617 1 1325 . 1 1 189 189 THR CB C 13 68.500 0.5 . 1 . . . . 189 T CB . 15617 1 1326 . 1 1 189 189 THR CG2 C 13 21.800 0.5 . 1 . . . . 189 T CG2 . 15617 1 1327 . 1 1 189 189 THR N N 15 109.238 0.5 . 1 . . . . 189 T N . 15617 1 1328 . 1 1 190 190 GLY H H 1 8.538 0.05 . 1 . . . . 190 G HN . 15617 1 1329 . 1 1 190 190 GLY C C 13 176.300 0.5 . 1 . . . . 190 G C . 15617 1 1330 . 1 1 190 190 GLY CA C 13 47.000 0.5 . 1 . . . . 190 G CA . 15617 1 1331 . 1 1 190 190 GLY N N 15 113.538 0.5 . 1 . . . . 190 G N . 15617 1 1332 . 1 1 191 191 LEU H H 1 8.738 0.05 . 1 . . . . 191 L HN . 15617 1 1333 . 1 1 191 191 LEU HB2 H 1 1.890 0.05 . 2 . . . . 191 L HB2 . 15617 1 1334 . 1 1 191 191 LEU HD11 H 1 0.460 0.05 . 2 . . . . 191 L HD11 . 15617 1 1335 . 1 1 191 191 LEU HD12 H 1 0.460 0.05 . 2 . . . . 191 L HD11 . 15617 1 1336 . 1 1 191 191 LEU HD13 H 1 0.460 0.05 . 2 . . . . 191 L HD11 . 15617 1 1337 . 1 1 191 191 LEU HD21 H 1 0.360 0.05 . 2 . . . . 191 L HD21 . 15617 1 1338 . 1 1 191 191 LEU HD22 H 1 0.360 0.05 . 2 . . . . 191 L HD21 . 15617 1 1339 . 1 1 191 191 LEU HD23 H 1 0.360 0.05 . 2 . . . . 191 L HD21 . 15617 1 1340 . 1 1 191 191 LEU C C 13 179.800 0.5 . 1 . . . . 191 L C . 15617 1 1341 . 1 1 191 191 LEU CA C 13 57.800 0.5 . 1 . . . . 191 L CA . 15617 1 1342 . 1 1 191 191 LEU CB C 13 40.500 0.5 . 1 . . . . 191 L CB . 15617 1 1343 . 1 1 191 191 LEU CD1 C 13 24.100 0.5 . 1 . . . . 191 L CD1 . 15617 1 1344 . 1 1 191 191 LEU CD2 C 13 26.000 0.5 . 1 . . . . 191 L CD2 . 15617 1 1345 . 1 1 191 191 LEU N N 15 124.138 0.5 . 1 . . . . 191 L N . 15617 1 1346 . 1 1 192 192 ILE H H 1 8.318 0.05 . 1 . . . . 192 I HN . 15617 1 1347 . 1 1 192 192 ILE HB H 1 2.220 0.05 . 1 . . . . 192 I HB . 15617 1 1348 . 1 1 192 192 ILE HD11 H 1 0.750 0.05 . 1 . . . . 192 I HD11 . 15617 1 1349 . 1 1 192 192 ILE HD12 H 1 0.750 0.05 . 1 . . . . 192 I HD11 . 15617 1 1350 . 1 1 192 192 ILE HD13 H 1 0.750 0.05 . 1 . . . . 192 I HD11 . 15617 1 1351 . 1 1 192 192 ILE HG12 H 1 1.880 0.05 . 1 . . . . 192 I HG12 . 15617 1 1352 . 1 1 192 192 ILE C C 13 177.400 0.5 . 1 . . . . 192 I C . 15617 1 1353 . 1 1 192 192 ILE CA C 13 66.500 0.5 . 1 . . . . 192 I CA . 15617 1 1354 . 1 1 192 192 ILE CB C 13 37.400 0.5 . 1 . . . . 192 I CB . 15617 1 1355 . 1 1 192 192 ILE CD1 C 13 13.700 0.5 . 1 . . . . 192 I CD1 . 15617 1 1356 . 1 1 192 192 ILE N N 15 119.738 0.5 . 1 . . . . 192 I N . 15617 1 1357 . 1 1 193 193 ALA H H 1 7.827 0.05 . 1 . . . . 193 A HN . 15617 1 1358 . 1 1 193 193 ALA HA H 1 4.030 0.05 . 1 . . . . 193 A HA . 15617 1 1359 . 1 1 193 193 ALA HB1 H 1 1.540 0.05 . 1 . . . . 193 A HB1 . 15617 1 1360 . 1 1 193 193 ALA HB2 H 1 1.540 0.05 . 1 . . . . 193 A HB1 . 15617 1 1361 . 1 1 193 193 ALA HB3 H 1 1.540 0.05 . 1 . . . . 193 A HB1 . 15617 1 1362 . 1 1 193 193 ALA C C 13 181.600 0.5 . 1 . . . . 193 A C . 15617 1 1363 . 1 1 193 193 ALA CA C 13 55.500 0.5 . 1 . . . . 193 A CA . 15617 1 1364 . 1 1 193 193 ALA CB C 13 17.400 0.5 . 1 . . . . 193 A CB . 15617 1 1365 . 1 1 193 193 ALA N N 15 121.638 0.5 . 1 . . . . 193 A N . 15617 1 1366 . 1 1 194 194 GLY H H 1 8.427 0.05 . 1 . . . . 194 G HN . 15617 1 1367 . 1 1 194 194 GLY C C 13 174.200 0.5 . 1 . . . . 194 G C . 15617 1 1368 . 1 1 194 194 GLY CA C 13 46.800 0.5 . 1 . . . . 194 G CA . 15617 1 1369 . 1 1 194 194 GLY N N 15 107.938 0.5 . 1 . . . . 194 G N . 15617 1 1370 . 1 1 195 195 LEU H H 1 8.727 0.05 . 1 . . . . 195 L HN . 15617 1 1371 . 1 1 195 195 LEU HA H 1 3.630 0.05 . 1 . . . . 195 L HA . 15617 1 1372 . 1 1 195 195 LEU HD11 H 1 0.320 0.05 . 2 . . . . 195 L HD11 . 15617 1 1373 . 1 1 195 195 LEU HD12 H 1 0.320 0.05 . 2 . . . . 195 L HD11 . 15617 1 1374 . 1 1 195 195 LEU HD13 H 1 0.320 0.05 . 2 . . . . 195 L HD11 . 15617 1 1375 . 1 1 195 195 LEU HD21 H 1 0.270 0.05 . 2 . . . . 195 L HD21 . 15617 1 1376 . 1 1 195 195 LEU HD22 H 1 0.270 0.05 . 2 . . . . 195 L HD21 . 15617 1 1377 . 1 1 195 195 LEU HD23 H 1 0.270 0.05 . 2 . . . . 195 L HD21 . 15617 1 1378 . 1 1 195 195 LEU C C 13 179.900 0.5 . 1 . . . . 195 L C . 15617 1 1379 . 1 1 195 195 LEU CA C 13 57.800 0.5 . 1 . . . . 195 L CA . 15617 1 1380 . 1 1 195 195 LEU CB C 13 41.500 0.5 . 1 . . . . 195 L CB . 15617 1 1381 . 1 1 195 195 LEU CD1 C 13 26.600 0.5 . 1 . . . . 195 L CD1 . 15617 1 1382 . 1 1 195 195 LEU CD2 C 13 23.000 0.5 . 1 . . . . 195 L CD2 . 15617 1 1383 . 1 1 195 195 LEU CG C 13 25.900 0.5 . 1 . . . . 195 L CG . 15617 1 1384 . 1 1 195 195 LEU N N 15 123.438 0.5 . 1 . . . . 195 L N . 15617 1 1385 . 1 1 196 196 ARG H H 1 8.627 0.05 . 1 . . . . 196 R HN . 15617 1 1386 . 1 1 196 196 ARG C C 13 179.800 0.5 . 1 . . . . 196 R C . 15617 1 1387 . 1 1 196 196 ARG CA C 13 60.200 0.5 . 1 . . . . 196 R CA . 15617 1 1388 . 1 1 196 196 ARG CB C 13 29.600 0.5 . 1 . . . . 196 R CB . 15617 1 1389 . 1 1 196 196 ARG N N 15 119.238 0.5 . 1 . . . . 196 R N . 15617 1 1390 . 1 1 197 197 ALA H H 1 7.807 0.05 . 1 . . . . 197 A HN . 15617 1 1391 . 1 1 197 197 ALA HB1 H 1 0.920 0.05 . 1 . . . . 197 A HB1 . 15617 1 1392 . 1 1 197 197 ALA HB2 H 1 0.920 0.05 . 1 . . . . 197 A HB1 . 15617 1 1393 . 1 1 197 197 ALA HB3 H 1 0.920 0.05 . 1 . . . . 197 A HB1 . 15617 1 1394 . 1 1 197 197 ALA C C 13 179.300 0.5 . 1 . . . . 197 A C . 15617 1 1395 . 1 1 197 197 ALA CA C 13 55.400 0.5 . 1 . . . . 197 A CA . 15617 1 1396 . 1 1 197 197 ALA CB C 13 16.800 0.5 . 1 . . . . 197 A CB . 15617 1 1397 . 1 1 197 197 ALA N N 15 123.338 0.5 . 1 . . . . 197 A N . 15617 1 1398 . 1 1 198 198 SER H H 1 7.577 0.05 . 1 . . . . 198 S HN . 15617 1 1399 . 1 1 198 198 SER HG H 1 5.590 0.05 . 1 . . . . 198 S HB2 . 15617 1 1400 . 1 1 198 198 SER C C 13 175.500 0.5 . 1 . . . . 198 S C . 15617 1 1401 . 1 1 198 198 SER CA C 13 60.100 0.5 . 1 . . . . 198 S CA . 15617 1 1402 . 1 1 198 198 SER CB C 13 62.700 0.5 . 1 . . . . 198 S CB . 15617 1 1403 . 1 1 198 198 SER N N 15 112.138 0.5 . 1 . . . . 198 S N . 15617 1 1404 . 1 1 199 199 GLN H H 1 6.927 0.05 . 1 . . . . 199 Q HN . 15617 1 1405 . 1 1 199 199 GLN C C 13 176.400 0.5 . 1 . . . . 199 Q C . 15617 1 1406 . 1 1 199 199 GLN CA C 13 54.100 0.5 . 1 . . . . 199 Q CA . 15617 1 1407 . 1 1 199 199 GLN CB C 13 30.000 0.5 . 1 . . . . 199 Q CB . 15617 1 1408 . 1 1 199 199 GLN N N 15 116.638 0.5 . 1 . . . . 199 Q N . 15617 1 1409 . 1 1 200 200 THR H H 1 7.577 0.05 . 1 . . . . 200 T HN . 15617 1 1410 . 1 1 200 200 THR HB H 1 4.200 0.05 . 1 . . . . 200 T HB . 15617 1 1411 . 1 1 200 200 THR HG21 H 1 1.220 0.05 . 1 . . . . 200 T HG21 . 15617 1 1412 . 1 1 200 200 THR HG22 H 1 1.220 0.05 . 1 . . . . 200 T HG21 . 15617 1 1413 . 1 1 200 200 THR HG23 H 1 1.220 0.05 . 1 . . . . 200 T HG21 . 15617 1 1414 . 1 1 200 200 THR C C 13 173.900 0.5 . 1 . . . . 200 T C . 15617 1 1415 . 1 1 200 200 THR CA C 13 62.900 0.5 . 1 . . . . 200 T CA . 15617 1 1416 . 1 1 200 200 THR CB C 13 71.400 0.5 . 1 . . . . 200 T CB . 15617 1 1417 . 1 1 200 200 THR CG2 C 13 21.500 0.5 . 1 . . . . 200 T CG2 . 15617 1 1418 . 1 1 200 200 THR N N 15 109.938 0.5 . 1 . . . . 200 T N . 15617 1 1419 . 1 1 201 201 GLU H H 1 8.278 0.05 . 1 . . . . 201 E HN . 15617 1 1420 . 1 1 201 201 GLU HB2 H 1 2.440 0.05 . 2 . . . . 201 E HB2 . 15617 1 1421 . 1 1 201 201 GLU C C 13 174.900 0.5 . 1 . . . . 201 E C . 15617 1 1422 . 1 1 201 201 GLU CA C 13 55.600 0.5 . 1 . . . . 201 E CA . 15617 1 1423 . 1 1 201 201 GLU CB C 13 31.900 0.5 . 1 . . . . 201 E CB . 15617 1 1424 . 1 1 201 201 GLU N N 15 122.638 0.5 . 1 . . . . 201 E N . 15617 1 1425 . 1 1 202 202 LYS H H 1 8.517 0.05 . 1 . . . . 202 K HN . 15617 1 1426 . 1 1 202 202 LYS HB2 H 1 1.750 0.05 . 2 . . . . 202 K HB2 . 15617 1 1427 . 1 1 202 202 LYS HG2 H 1 1.490 0.05 . 2 . . . . 202 K HG2 . 15617 1 1428 . 1 1 202 202 LYS C C 13 176.300 0.5 . 1 . . . . 202 K C . 15617 1 1429 . 1 1 202 202 LYS CA C 13 55.300 0.5 . 1 . . . . 202 K CA . 15617 1 1430 . 1 1 202 202 LYS CB C 13 33.700 0.5 . 1 . . . . 202 K CB . 15617 1 1431 . 1 1 202 202 LYS N N 15 120.038 0.5 . 1 . . . . 202 K N . 15617 1 1432 . 1 1 203 203 LEU H H 1 8.517 0.05 . 1 . . . . 203 L HN . 15617 1 1433 . 1 1 203 203 LEU HD11 H 1 -0.100 0.05 . 2 . . . . 203 L HD11 . 15617 1 1434 . 1 1 203 203 LEU HD12 H 1 -0.100 0.05 . 2 . . . . 203 L HD11 . 15617 1 1435 . 1 1 203 203 LEU HD13 H 1 -0.100 0.05 . 2 . . . . 203 L HD11 . 15617 1 1436 . 1 1 203 203 LEU HD21 H 1 -0.460 0.05 . 2 . . . . 203 L HD21 . 15617 1 1437 . 1 1 203 203 LEU HD22 H 1 -0.460 0.05 . 2 . . . . 203 L HD21 . 15617 1 1438 . 1 1 203 203 LEU HD23 H 1 -0.460 0.05 . 2 . . . . 203 L HD21 . 15617 1 1439 . 1 1 203 203 LEU HG H 1 1.230 0.05 . 1 . . . . 203 L HG . 15617 1 1440 . 1 1 203 203 LEU C C 13 177.400 0.5 . 1 . . . . 203 L C . 15617 1 1441 . 1 1 203 203 LEU CA C 13 53.300 0.5 . 1 . . . . 203 L CA . 15617 1 1442 . 1 1 203 203 LEU CB C 13 41.100 0.5 . 1 . . . . 203 L CB . 15617 1 1443 . 1 1 203 203 LEU CD1 C 13 20.900 0.5 . 1 . . . . 203 L CD1 . 15617 1 1444 . 1 1 203 203 LEU CD2 C 13 23.900 0.5 . 1 . . . . 203 L CD2 . 15617 1 1445 . 1 1 203 203 LEU CG C 13 26.400 0.5 . 1 . . . . 203 L CG . 15617 1 1446 . 1 1 203 203 LEU N N 15 124.738 0.5 . 1 . . . . 203 L N . 15617 1 1447 . 1 1 204 204 LYS H H 1 7.957 0.05 . 1 . . . . 204 K HN . 15617 1 1448 . 1 1 204 204 LYS HA H 1 4.320 0.05 . 1 . . . . 204 K HA . 15617 1 1449 . 1 1 204 204 LYS CA C 13 54.900 0.5 . 1 . . . . 204 K CA . 15617 1 1450 . 1 1 204 204 LYS CB C 13 32.000 0.5 . 1 . . . . 204 K CB . 15617 1 1451 . 1 1 204 204 LYS N N 15 122.038 0.5 . 1 . . . . 204 K N . 15617 1 1452 . 1 1 205 205 PRO C C 13 176.300 0.5 . 1 . . . . 205 P C . 15617 1 1453 . 1 1 205 205 PRO CA C 13 62.100 0.5 . 1 . . . . 205 P CA . 15617 1 1454 . 1 1 205 205 PRO CB C 13 31.500 0.5 . 1 . . . . 205 P CB . 15617 1 1455 . 1 1 206 206 PHE H H 1 9.010 0.05 . 1 . . . . 206 F HN . 15617 1 1456 . 1 1 206 206 PHE HB2 H 1 2.740 0.05 . 2 . . . . 206 F HB2 . 15617 1 1457 . 1 1 206 206 PHE HD1 H 1 6.390 0.05 . 3 . . . . 206 F HD1 . 15617 1 1458 . 1 1 206 206 PHE HE1 H 1 6.910 0.05 . 3 . . . . 206 F HE1 . 15617 1 1459 . 1 1 206 206 PHE C C 13 174.600 0.5 . 1 . . . . 206 F C . 15617 1 1460 . 1 1 206 206 PHE N N 15 126.600 0.5 . 1 . . . . 206 F N . 15617 1 1461 . 1 1 207 207 PRO CA C 13 63.000 0.5 . 1 . . . . 207 P CA . 15617 1 1462 . 1 1 207 207 PRO CB C 13 30.900 0.5 . 1 . . . . 207 P CB . 15617 1 1463 . 1 1 208 208 VAL H H 1 7.610 0.05 . 1 . . . . 208 V HN . 15617 1 1464 . 1 1 208 208 VAL HA H 1 3.980 0.05 . 1 . . . . 208 V HA . 15617 1 1465 . 1 1 208 208 VAL HB H 1 2.070 0.05 . 1 . . . . 208 V HB . 15617 1 1466 . 1 1 208 208 VAL HG11 H 1 0.960 0.05 . 2 . . . . 208 V HG11 . 15617 1 1467 . 1 1 208 208 VAL HG12 H 1 0.960 0.05 . 2 . . . . 208 V HG11 . 15617 1 1468 . 1 1 208 208 VAL HG13 H 1 0.960 0.05 . 2 . . . . 208 V HG11 . 15617 1 1469 . 1 1 208 208 VAL HG21 H 1 0.970 0.05 . 2 . . . . 208 V HG21 . 15617 1 1470 . 1 1 208 208 VAL HG22 H 1 0.970 0.05 . 2 . . . . 208 V HG21 . 15617 1 1471 . 1 1 208 208 VAL HG23 H 1 0.970 0.05 . 2 . . . . 208 V HG21 . 15617 1 1472 . 1 1 208 208 VAL C C 13 176.500 0.5 . 1 . . . . 208 V C . 15617 1 1473 . 1 1 208 208 VAL CA C 13 62.800 0.5 . 1 . . . . 208 V CA . 15617 1 1474 . 1 1 208 208 VAL CB C 13 32.000 0.5 . 1 . . . . 208 V CB . 15617 1 1475 . 1 1 208 208 VAL CG1 C 13 21.300 0.5 . 1 . . . . 208 V CG1 . 15617 1 1476 . 1 1 208 208 VAL CG2 C 13 20.600 0.5 . 1 . . . . 208 V CG2 . 15617 1 1477 . 1 1 208 208 VAL N N 15 125.600 0.5 . 1 . . . . 208 V N . 15617 1 1478 . 1 1 209 209 SER H H 1 7.990 0.05 . 1 . . . . 209 S HN . 15617 1 1479 . 1 1 209 209 SER C C 13 174.000 0.5 . 1 . . . . 209 S C . 15617 1 1480 . 1 1 209 209 SER CA C 13 57.400 0.5 . 1 . . . . 209 S CA . 15617 1 1481 . 1 1 209 209 SER CB C 13 63.800 0.5 . 1 . . . . 209 S CB . 15617 1 1482 . 1 1 209 209 SER N N 15 116.800 0.5 . 1 . . . . 209 S N . 15617 1 1483 . 1 1 211 211 ASN H H 1 9.000 0.05 . 1 . . . . 211 N HN . 15617 1 1484 . 1 1 211 211 ASN HD21 H 1 7.570 0.05 . 2 . . . . 211 N HD21 . 15617 1 1485 . 1 1 211 211 ASN HD22 H 1 6.890 0.05 . 2 . . . . 211 N HD22 . 15617 1 1486 . 1 1 211 211 ASN N N 15 126.700 0.5 . 1 . . . . 211 N N . 15617 1 1487 . 1 1 211 211 ASN ND2 N 15 111.200 0.5 . 1 . . . . 211 N ND2 . 15617 1 1488 . 1 1 212 212 PRO C C 13 177.800 0.5 . 1 . . . . 212 P C . 15617 1 1489 . 1 1 212 212 PRO CA C 13 64.500 0.5 . 1 . . . . 212 P CA . 15617 1 1490 . 1 1 212 212 PRO CB C 13 31.800 0.5 . 1 . . . . 212 P CB . 15617 1 1491 . 1 1 213 213 SER H H 1 8.238 0.05 . 1 . . . . 213 S HN . 15617 1 1492 . 1 1 213 213 SER HB2 H 1 3.880 0.05 . 2 . . . . 213 S HB2 . 15617 1 1493 . 1 1 213 213 SER C C 13 175.400 0.5 . 1 . . . . 213 S C . 15617 1 1494 . 1 1 213 213 SER CA C 13 60.200 0.5 . 1 . . . . 213 S CA . 15617 1 1495 . 1 1 213 213 SER CB C 13 62.700 0.5 . 1 . . . . 213 S CB . 15617 1 1496 . 1 1 213 213 SER N N 15 113.938 0.5 . 1 . . . . 213 S N . 15617 1 1497 . 1 1 214 214 PHE H H 1 7.898 0.05 . 1 . . . . 214 F HN . 15617 1 1498 . 1 1 214 214 PHE HB2 H 1 3.110 0.05 . 2 . . . . 214 F HB2 . 15617 1 1499 . 1 1 214 214 PHE HD1 H 1 7.100 0.05 . 3 . . . . 214 F HD1 . 15617 1 1500 . 1 1 214 214 PHE HE1 H 1 6.960 0.05 . 3 . . . . 214 F HE1 . 15617 1 1501 . 1 1 214 214 PHE C C 13 176.600 0.5 . 1 . . . . 214 F C . 15617 1 1502 . 1 1 214 214 PHE CA C 13 60.300 0.5 . 1 . . . . 214 F CA . 15617 1 1503 . 1 1 214 214 PHE CB C 13 39.100 0.5 . 1 . . . . 214 F CB . 15617 1 1504 . 1 1 214 214 PHE N N 15 122.538 0.5 . 1 . . . . 214 F N . 15617 1 1505 . 1 1 215 215 GLU H H 1 8.177 0.05 . 1 . . . . 215 E HN . 15617 1 1506 . 1 1 215 215 GLU HA H 1 3.970 0.05 . 1 . . . . 215 E HA . 15617 1 1507 . 1 1 215 215 GLU C C 13 177.900 0.5 . 1 . . . . 215 E C . 15617 1 1508 . 1 1 215 215 GLU CA C 13 59.200 0.5 . 1 . . . . 215 E CA . 15617 1 1509 . 1 1 215 215 GLU CB C 13 29.300 0.5 . 1 . . . . 215 E CB . 15617 1 1510 . 1 1 215 215 GLU N N 15 118.438 0.5 . 1 . . . . 215 E N . 15617 1 1511 . 1 1 216 216 ARG H H 1 7.858 0.05 . 1 . . . . 216 R HN . 15617 1 1512 . 1 1 216 216 ARG C C 13 177.700 0.5 . 1 . . . . 216 R C . 15617 1 1513 . 1 1 216 216 ARG CA C 13 58.400 0.5 . 1 . . . . 216 R CA . 15617 1 1514 . 1 1 216 216 ARG CB C 13 29.500 0.5 . 1 . . . . 216 R CB . 15617 1 1515 . 1 1 216 216 ARG N N 15 118.238 0.5 . 1 . . . . 216 R N . 15617 1 1516 . 1 1 217 217 LEU H H 1 7.738 0.05 . 1 . . . . 217 L HN . 15617 1 1517 . 1 1 217 217 LEU HA H 1 4.080 0.05 . 1 . . . . 217 L HA . 15617 1 1518 . 1 1 217 217 LEU HD11 H 1 0.770 0.05 . 2 . . . . 217 L HD11 . 15617 1 1519 . 1 1 217 217 LEU HD12 H 1 0.770 0.05 . 2 . . . . 217 L HD11 . 15617 1 1520 . 1 1 217 217 LEU HD13 H 1 0.770 0.05 . 2 . . . . 217 L HD11 . 15617 1 1521 . 1 1 217 217 LEU HD21 H 1 0.830 0.05 . 2 . . . . 217 L HD21 . 15617 1 1522 . 1 1 217 217 LEU HD22 H 1 0.830 0.05 . 2 . . . . 217 L HD21 . 15617 1 1523 . 1 1 217 217 LEU HD23 H 1 0.830 0.05 . 2 . . . . 217 L HD21 . 15617 1 1524 . 1 1 217 217 LEU C C 13 178.900 0.5 . 1 . . . . 217 L C . 15617 1 1525 . 1 1 217 217 LEU CA C 13 56.900 0.5 . 1 . . . . 217 L CA . 15617 1 1526 . 1 1 217 217 LEU CB C 13 41.300 0.5 . 1 . . . . 217 L CB . 15617 1 1527 . 1 1 217 217 LEU CD1 C 13 23.900 0.5 . 1 . . . . 217 L CD1 . 15617 1 1528 . 1 1 217 217 LEU CD2 C 13 24.700 0.5 . 1 . . . . 217 L CD2 . 15617 1 1529 . 1 1 217 217 LEU N N 15 119.638 0.5 . 1 . . . . 217 L N . 15617 1 1530 . 1 1 218 218 LEU H H 1 7.758 0.05 . 1 . . . . 218 L HN . 15617 1 1531 . 1 1 218 218 LEU HA H 1 3.940 0.05 . 1 . . . . 218 L HA . 15617 1 1532 . 1 1 218 218 LEU HD11 H 1 0.740 0.05 . 2 . . . . 218 L HD11 . 15617 1 1533 . 1 1 218 218 LEU HD12 H 1 0.740 0.05 . 2 . . . . 218 L HD11 . 15617 1 1534 . 1 1 218 218 LEU HD13 H 1 0.740 0.05 . 2 . . . . 218 L HD11 . 15617 1 1535 . 1 1 218 218 LEU HD21 H 1 0.670 0.05 . 2 . . . . 218 L HD21 . 15617 1 1536 . 1 1 218 218 LEU HD22 H 1 0.670 0.05 . 2 . . . . 218 L HD21 . 15617 1 1537 . 1 1 218 218 LEU HD23 H 1 0.670 0.05 . 2 . . . . 218 L HD21 . 15617 1 1538 . 1 1 218 218 LEU C C 13 178.300 0.5 . 1 . . . . 218 L C . 15617 1 1539 . 1 1 218 218 LEU CA C 13 56.900 0.5 . 1 . . . . 218 L CA . 15617 1 1540 . 1 1 218 218 LEU CB C 13 41.300 0.5 . 1 . . . . 218 L CB . 15617 1 1541 . 1 1 218 218 LEU CD1 C 13 25.000 0.5 . 1 . . . . 218 L CD1 . 15617 1 1542 . 1 1 218 218 LEU CD2 C 13 23.900 0.5 . 1 . . . . 218 L CD2 . 15617 1 1543 . 1 1 218 218 LEU N N 15 119.638 0.5 . 1 . . . . 218 L N . 15617 1 1544 . 1 1 219 219 VAL H H 1 7.718 0.05 . 1 . . . . 219 V HN . 15617 1 1545 . 1 1 219 219 VAL HG11 H 1 0.950 0.05 . 2 . . . . 219 V HG11 . 15617 1 1546 . 1 1 219 219 VAL HG12 H 1 0.950 0.05 . 2 . . . . 219 V HG11 . 15617 1 1547 . 1 1 219 219 VAL HG13 H 1 0.950 0.05 . 2 . . . . 219 V HG11 . 15617 1 1548 . 1 1 219 219 VAL HG21 H 1 1.000 0.05 . 2 . . . . 219 V HG21 . 15617 1 1549 . 1 1 219 219 VAL HG22 H 1 1.000 0.05 . 2 . . . . 219 V HG21 . 15617 1 1550 . 1 1 219 219 VAL HG23 H 1 1.000 0.05 . 2 . . . . 219 V HG21 . 15617 1 1551 . 1 1 219 219 VAL C C 13 177.100 0.5 . 1 . . . . 219 V C . 15617 1 1552 . 1 1 219 219 VAL CA C 13 64.100 0.5 . 1 . . . . 219 V CA . 15617 1 1553 . 1 1 219 219 VAL CB C 13 32.300 0.5 . 1 . . . . 219 V CB . 15617 1 1554 . 1 1 219 219 VAL CG1 C 13 21.400 0.5 . 1 . . . . 219 V CG1 . 15617 1 1555 . 1 1 219 219 VAL CG2 C 13 21.500 0.5 . 1 . . . . 219 V CG2 . 15617 1 1556 . 1 1 219 219 VAL N N 15 116.838 0.5 . 1 . . . . 219 V N . 15617 1 1557 . 1 1 220 220 GLU H H 1 8.127 0.05 . 1 . . . . 220 E HN . 15617 1 1558 . 1 1 220 220 GLU HA H 1 4.150 0.05 . 1 . . . . 220 E HA . 15617 1 1559 . 1 1 220 220 GLU HB2 H 1 2.220 0.05 . 2 . . . . 220 E HB1 . 15617 1 1560 . 1 1 220 220 GLU HB3 H 1 2.370 0.05 . 2 . . . . 220 E HB2 . 15617 1 1561 . 1 1 220 220 GLU C C 13 177.600 0.5 . 1 . . . . 220 E C . 15617 1 1562 . 1 1 220 220 GLU CA C 13 57.800 0.5 . 1 . . . . 220 E CA . 15617 1 1563 . 1 1 220 220 GLU CB C 13 29.700 0.5 . 1 . . . . 220 E CB . 15617 1 1564 . 1 1 220 220 GLU N N 15 120.138 0.5 . 1 . . . . 220 E N . 15617 1 1565 . 1 1 221 221 THR H H 1 7.878 0.05 . 1 . . . . 221 T HN . 15617 1 1566 . 1 1 221 221 THR HA H 1 4.180 0.05 . 1 . . . . 221 T HA . 15617 1 1567 . 1 1 221 221 THR HB H 1 4.140 0.05 . 1 . . . . 221 T HB . 15617 1 1568 . 1 1 221 221 THR HG21 H 1 1.070 0.05 . 1 . . . . 221 T HG21 . 15617 1 1569 . 1 1 221 221 THR HG22 H 1 1.070 0.05 . 1 . . . . 221 T HG21 . 15617 1 1570 . 1 1 221 221 THR HG23 H 1 1.070 0.05 . 1 . . . . 221 T HG21 . 15617 1 1571 . 1 1 221 221 THR C C 13 174.900 0.5 . 1 . . . . 221 T C . 15617 1 1572 . 1 1 221 221 THR CA C 13 63.100 0.5 . 1 . . . . 221 T CA . 15617 1 1573 . 1 1 221 221 THR CB C 13 69.400 0.5 . 1 . . . . 221 T CB . 15617 1 1574 . 1 1 221 221 THR CG2 C 13 21.600 0.5 . 1 . . . . 221 T CG2 . 15617 1 1575 . 1 1 221 221 THR N N 15 113.038 0.5 . 1 . . . . 221 T N . 15617 1 1576 . 1 1 222 222 ILE H H 1 7.847 0.05 . 1 . . . . 222 I HN . 15617 1 1577 . 1 1 222 222 ILE HA H 1 3.900 0.05 . 1 . . . . 222 I HA . 15617 1 1578 . 1 1 222 222 ILE HB H 1 1.720 0.05 . 1 . . . . 222 I HB . 15617 1 1579 . 1 1 222 222 ILE HD11 H 1 0.650 0.05 . 1 . . . . 222 I HD11 . 15617 1 1580 . 1 1 222 222 ILE HD12 H 1 0.650 0.05 . 1 . . . . 222 I HD11 . 15617 1 1581 . 1 1 222 222 ILE HD13 H 1 0.650 0.05 . 1 . . . . 222 I HD11 . 15617 1 1582 . 1 1 222 222 ILE HG12 H 1 0.980 0.05 . 1 . . . . 222 I HG11 . 15617 1 1583 . 1 1 222 222 ILE HG13 H 1 1.270 0.05 . 1 . . . . 222 I HG12 . 15617 1 1584 . 1 1 222 222 ILE HG21 H 1 0.550 0.05 . 1 . . . . 222 I HG21 . 15617 1 1585 . 1 1 222 222 ILE HG22 H 1 0.550 0.05 . 1 . . . . 222 I HG21 . 15617 1 1586 . 1 1 222 222 ILE HG23 H 1 0.550 0.05 . 1 . . . . 222 I HG21 . 15617 1 1587 . 1 1 222 222 ILE C C 13 175.900 0.5 . 1 . . . . 222 I C . 15617 1 1588 . 1 1 222 222 ILE CA C 13 62.600 0.5 . 1 . . . . 222 I CA . 15617 1 1589 . 1 1 222 222 ILE CB C 13 37.700 0.5 . 1 . . . . 222 I CB . 15617 1 1590 . 1 1 222 222 ILE CD1 C 13 13.300 0.5 . 1 . . . . 222 I CD1 . 15617 1 1591 . 1 1 222 222 ILE CG1 C 13 27.300 0.5 . 1 . . . . 222 I CG1 . 15617 1 1592 . 1 1 222 222 ILE CG2 C 13 17.400 0.5 . 1 . . . . 222 I CG2 . 15617 1 1593 . 1 1 222 222 ILE N N 15 121.438 0.5 . 1 . . . . 222 I N . 15617 1 1594 . 1 1 223 223 TYR H H 1 7.867 0.05 . 1 . . . . 223 Y HN . 15617 1 1595 . 1 1 223 223 TYR HB2 H 1 3.160 0.05 . 2 . . . . 223 Y HB1 . 15617 1 1596 . 1 1 223 223 TYR HB3 H 1 2.780 0.05 . 2 . . . . 223 Y HB2 . 15617 1 1597 . 1 1 223 223 TYR HD1 H 1 7.100 0.05 . 3 . . . . 223 Y HD1 . 15617 1 1598 . 1 1 223 223 TYR HE1 H 1 6.720 0.05 . 3 . . . . 223 Y HE1 . 15617 1 1599 . 1 1 223 223 TYR C C 13 175.100 0.5 . 1 . . . . 223 Y C . 15617 1 1600 . 1 1 223 223 TYR CA C 13 57.800 0.5 . 1 . . . . 223 Y CA . 15617 1 1601 . 1 1 223 223 TYR CB C 13 38.200 0.5 . 1 . . . . 223 Y CB . 15617 1 1602 . 1 1 223 223 TYR CD1 C 13 133.200 0.5 . 3 . . . . 223 Y CD1 . 15617 1 1603 . 1 1 223 223 TYR CE1 C 13 118.100 0.5 . 3 . . . . 223 Y CE1 . 15617 1 1604 . 1 1 223 223 TYR N N 15 120.938 0.5 . 1 . . . . 223 Y N . 15617 1 1605 . 1 1 224 224 SER H H 1 7.657 0.05 . 1 . . . . 224 S HN . 15617 1 1606 . 1 1 224 224 SER HA H 1 4.230 0.05 . 1 . . . . 224 S HA . 15617 1 1607 . 1 1 224 224 SER HB2 H 1 3.840 0.05 . 2 . . . . 224 S HB2 . 15617 1 1608 . 1 1 224 224 SER C C 13 178.600 0.5 . 1 . . . . 224 S C . 15617 1 1609 . 1 1 224 224 SER CA C 13 60.300 0.5 . 1 . . . . 224 S CA . 15617 1 1610 . 1 1 224 224 SER CB C 13 64.900 0.5 . 1 . . . . 224 S CB . 15617 1 1611 . 1 1 224 224 SER N N 15 121.738 0.5 . 1 . . . . 224 S N . 15617 1 stop_ save_ ################################ # Residual dipolar couplings # ################################ save_RDC_list_1 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode RDC_list_1 _RDC_list.Entry_ID 15617 _RDC_list.ID 1 _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $sample_conditions_1 _RDC_list.Spectrometer_frequency_1H 600 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details . _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID 11 '2D S3-TROSY' . . . 15617 1 stop_ loop_ _RDC_software.Software_ID _RDC_software.Software_label _RDC_software.Method_ID _RDC_software.Method_label _RDC_software.Entry_ID _RDC_software.RDC_list_ID 2 $NMRView . . 15617 1 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 DHN . 1 1 30 30 ALA N N 15 . . 1 1 30 30 ALA H H 1 . 3.98823 . . 1.5 . . . . . . . . . . . 15617 1 2 DHN . 1 1 31 31 LEU N N 15 . . 1 1 31 31 LEU H H 1 . 13.20275 . . 1.5 . . . . . . . . . . . 15617 1 3 DHN . 1 1 32 32 PHE N N 15 . . 1 1 32 32 PHE H H 1 . 7.12717 . . 1.5 . . . . . . . . . . . 15617 1 4 DHN . 1 1 33 33 VAL N N 15 . . 1 1 33 33 VAL H H 1 . 12.1285 . . 1.5 . . . . . . . . . . . 15617 1 5 DHN . 1 1 34 34 THR N N 15 . . 1 1 34 34 THR H H 1 . 3.7849 . . 1.5 . . . . . . . . . . . 15617 1 6 DHN . 1 1 35 35 CYS N N 15 . . 1 1 35 35 CYS H H 1 . 7.95699 . . 1.5 . . . . . . . . . . . 15617 1 7 DHN . 1 1 43 43 LYS N N 15 . . 1 1 43 43 LYS H H 1 . 7.14721 . . 1.5 . . . . . . . . . . . 15617 1 8 DHN . 1 1 44 44 LEU N N 15 . . 1 1 44 44 LEU H H 1 . -7.65797 . . 1.5 . . . . . . . . . . . 15617 1 9 DHN . 1 1 46 46 SER N N 15 . . 1 1 46 46 SER H H 1 . -0.205 . . 1.5 . . . . . . . . . . . 15617 1 10 DHN . 1 1 47 47 CYS N N 15 . . 1 1 47 47 CYS H H 1 . 5.44515 . . 1.5 . . . . . . . . . . . 15617 1 11 DHN . 1 1 48 48 VAL N N 15 . . 1 1 48 48 VAL H H 1 . -5.59172 . . 1.5 . . . . . . . . . . . 15617 1 12 DHN . 1 1 49 49 LEU N N 15 . . 1 1 49 49 LEU H H 1 . 2.55071 . . 1.5 . . . . . . . . . . . 15617 1 13 DHN . 1 1 50 50 SER N N 15 . . 1 1 50 50 SER H H 1 . 10.28556 . . 1.5 . . . . . . . . . . . 15617 1 14 DHN . 1 1 51 51 ASP N N 15 . . 1 1 51 51 ASP H H 1 . -2.45246 . . 1.5 . . . . . . . . . . . 15617 1 15 DHN . 1 1 52 52 GLU N N 15 . . 1 1 52 52 GLU H H 1 . -1.25718 . . 1.5 . . . . . . . . . . . 15617 1 16 DHN . 1 1 53 53 PHE N N 15 . . 1 1 53 53 PHE H H 1 . -5.57142 . . 1.5 . . . . . . . . . . . 15617 1 17 DHN . 1 1 54 54 CYS N N 15 . . 1 1 54 54 CYS H H 1 . -0.72094 . . 1.5 . . . . . . . . . . . 15617 1 18 DHN . 1 1 56 56 GLU N N 15 . . 1 1 56 56 GLU H H 1 . -1.17647 . . 1.5 . . . . . . . . . . . 15617 1 19 DHN . 1 1 57 57 LEU N N 15 . . 1 1 57 57 LEU H H 1 . 0.44387 . . 1.5 . . . . . . . . . . . 15617 1 20 DHN . 1 1 58 58 ILE N N 15 . . 1 1 58 58 ILE H H 1 . -0.87248 . . 1.5 . . . . . . . . . . . 15617 1 21 DHN . 1 1 59 59 GLN N N 15 . . 1 1 59 59 GLN H H 1 . -1.45941 . . 1.5 . . . . . . . . . . . 15617 1 22 DHN . 1 1 60 60 TYR N N 15 . . 1 1 60 60 TYR H H 1 . -1.15618 . . 1.5 . . . . . . . . . . . 15617 1 23 DHN . 1 1 61 61 GLY N N 15 . . 1 1 61 61 GLY H H 1 . -2.16986 . . 1.5 . . . . . . . . . . . 15617 1 24 DHN . 1 1 62 62 PHE N N 15 . . 1 1 62 62 PHE H H 1 . -10.49344 . . 1.5 . . . . . . . . . . . 15617 1 25 DHN . 1 1 63 63 VAL N N 15 . . 1 1 63 63 VAL H H 1 . -0.54763 . . 1.5 . . . . . . . . . . . 15617 1 26 DHN . 1 1 65 65 LEU N N 15 . . 1 1 65 65 LEU H H 1 . 14.45788 . . 1.5 . . . . . . . . . . . 15617 1 27 DHN . 1 1 66 66 ILE N N 15 . . 1 1 66 66 ILE H H 1 . 7.42981 . . 1.5 . . . . . . . . . . . 15617 1 28 DHN . 1 1 67 67 ILE N N 15 . . 1 1 67 67 ILE H H 1 . 11.54193 . . 1.5 . . . . . . . . . . . 15617 1 29 DHN . 1 1 83 83 GLU N N 15 . . 1 1 83 83 GLU H H 1 . 4.61529 . . 1.5 . . . . . . . . . . . 15617 1 30 DHN . 1 1 84 84 ARG N N 15 . . 1 1 84 84 ARG H H 1 . -4.90133 . . 1.5 . . . . . . . . . . . 15617 1 31 DHN . 1 1 85 85 GLY N N 15 . . 1 1 85 85 GLY H H 1 . -2.00699 . . 1.5 . . . . . . . . . . . 15617 1 32 DHN . 1 1 86 86 GLY N N 15 . . 1 1 86 86 GLY H H 1 . 6.17389 . . 1.5 . . . . . . . . . . . 15617 1 33 DHN . 1 1 87 87 GLN N N 15 . . 1 1 87 87 GLN H H 1 . 5.20335 . . 1.5 . . . . . . . . . . . 15617 1 34 DHN . 1 1 88 88 ARG N N 15 . . 1 1 88 88 ARG H H 1 . 4.04809 . . 1.5 . . . . . . . . . . . 15617 1 35 DHN . 1 1 89 89 GLU N N 15 . . 1 1 89 89 GLU H H 1 . 11.44059 . . 1.5 . . . . . . . . . . . 15617 1 36 DHN . 1 1 90 90 SER N N 15 . . 1 1 90 90 SER H H 1 . -2.95852 . . 1.5 . . . . . . . . . . . 15617 1 37 DHN . 1 1 95 95 ILE N N 15 . . 1 1 95 95 ILE H H 1 . 6.50067 . . 1.5 . . . . . . . . . . . 15617 1 38 DHN . 1 1 96 96 ASP N N 15 . . 1 1 96 96 ASP H H 1 . -0.67069 . . 1.5 . . . . . . . . . . . 15617 1 39 DHN . 1 1 97 97 GLN N N 15 . . 1 1 97 97 GLN H H 1 . 6.33731 . . 1.5 . . . . . . . . . . . 15617 1 40 DHN . 1 1 104 104 ALA N N 15 . . 1 1 104 104 ALA H H 1 . -7.73957 . . 1.5 . . . . . . . . . . . 15617 1 41 DHN . 1 1 105 105 ARG N N 15 . . 1 1 105 105 ARG H H 1 . 9.96216 . . 1.5 . . . . . . . . . . . 15617 1 42 DHN . 1 1 106 106 GLN N N 15 . . 1 1 106 106 GLN H H 1 . 4.59579 . . 1.5 . . . . . . . . . . . 15617 1 43 DHN . 1 1 107 107 TYR N N 15 . . 1 1 107 107 TYR H H 1 . 12.93932 . . 1.5 . . . . . . . . . . . 15617 1 44 DHN . 1 1 108 108 VAL N N 15 . . 1 1 108 108 VAL H H 1 . 5.79039 . . 1.5 . . . . . . . . . . . 15617 1 45 DHN . 1 1 109 109 LEU N N 15 . . 1 1 109 109 LEU H H 1 . 2.34818 . . 1.5 . . . . . . . . . . . 15617 1 46 DHN . 1 1 110 110 MET N N 15 . . 1 1 110 110 MET H H 1 . 0.32258 . . 1.5 . . . . . . . . . . . 15617 1 47 DHN . 1 1 114 114 LEU N N 15 . . 1 1 114 114 LEU H H 1 . 5.08161 . . 1.5 . . . . . . . . . . . 15617 1 48 DHN . 1 1 115 115 LYS N N 15 . . 1 1 115 115 LYS H H 1 . 4.5347 . . 1.5 . . . . . . . . . . . 15617 1 49 DHN . 1 1 116 116 VAL N N 15 . . 1 1 116 116 VAL H H 1 . 12.59485 . . 1.5 . . . . . . . . . . . 15617 1 50 DHN . 1 1 117 117 ILE N N 15 . . 1 1 117 117 ILE H H 1 . 6.59976 . . 1.5 . . . . . . . . . . . 15617 1 51 DHN . 1 1 118 118 GLY N N 15 . . 1 1 118 118 GLY H H 1 . 12.12843 . . 1.5 . . . . . . . . . . . 15617 1 52 DHN . 1 1 124 124 LYS N N 15 . . 1 1 124 124 LYS H H 1 . 2.55037 . . 1.5 . . . . . . . . . . . 15617 1 53 DHN . 1 1 125 125 MET N N 15 . . 1 1 125 125 MET H H 1 . -3.12056 . . 1.5 . . . . . . . . . . . 15617 1 54 DHN . 1 1 126 126 GLN N N 15 . . 1 1 126 126 GLN H H 1 . -8.0215 . . 1.5 . . . . . . . . . . . 15617 1 55 DHN . 1 1 127 127 SER N N 15 . . 1 1 127 127 SER H H 1 . -3.24162 . . 1.5 . . . . . . . . . . . 15617 1 56 DHN . 1 1 129 129 ILE N N 15 . . 1 1 129 129 ILE H H 1 . -1.78359 . . 1.5 . . . . . . . . . . . 15617 1 57 DHN . 1 1 130 130 ARG N N 15 . . 1 1 130 130 ARG H H 1 . -7.00904 . . 1.5 . . . . . . . . . . . 15617 1 58 DHN . 1 1 131 131 ASP N N 15 . . 1 1 131 131 ASP H H 1 . -5.63084 . . 1.5 . . . . . . . . . . . 15617 1 59 DHN . 1 1 132 132 TYR N N 15 . . 1 1 132 132 TYR H H 1 . 0.98826 . . 1.5 . . . . . . . . . . . 15617 1 60 DHN . 1 1 135 135 LEU N N 15 . . 1 1 135 135 LEU H H 1 . -1.48104 . . 1.5 . . . . . . . . . . . 15617 1 61 DHN . 1 1 136 136 VAL N N 15 . . 1 1 136 136 VAL H H 1 . 9.7602 . . 1.5 . . . . . . . . . . . 15617 1 62 DHN . 1 1 137 137 ILE N N 15 . . 1 1 137 137 ILE H H 1 . 6.60117 . . 1.5 . . . . . . . . . . . 15617 1 63 DHN . 1 1 138 138 SER N N 15 . . 1 1 138 138 SER H H 1 . -0.833 . . 1.5 . . . . . . . . . . . 15617 1 64 DHN . 1 1 139 139 HIS N N 15 . . 1 1 139 139 HIS H H 1 . 1.05054 . . 1.5 . . . . . . . . . . . 15617 1 65 DHN . 1 1 143 143 GLY N N 15 . . 1 1 143 143 GLY H H 1 . -1.39955 . . 1.5 . . . . . . . . . . . 15617 1 66 DHN . 1 1 144 144 SER N N 15 . . 1 1 144 144 SER H H 1 . -2.95891 . . 1.5 . . . . . . . . . . . 15617 1 67 DHN . 1 1 145 145 ILE N N 15 . . 1 1 145 145 ILE H H 1 . 1.43637 . . 1.5 . . . . . . . . . . . 15617 1 68 DHN . 1 1 146 146 LEU N N 15 . . 1 1 146 146 LEU H H 1 . -5.28738 . . 1.5 . . . . . . . . . . . 15617 1 69 DHN . 1 1 147 147 ASP N N 15 . . 1 1 147 147 ASP H H 1 . -0.67026 . . 1.5 . . . . . . . . . . . 15617 1 70 DHN . 1 1 148 148 SER N N 15 . . 1 1 148 148 SER H H 1 . -3.52622 . . 1.5 . . . . . . . . . . . 15617 1 71 DHN . 1 1 149 149 LEU N N 15 . . 1 1 149 149 LEU H H 1 . -16.08243 . . 1.5 . . . . . . . . . . . 15617 1 72 DHN . 1 1 151 151 LEU N N 15 . . 1 1 151 151 LEU H H 1 . -1.05408 . . 1.5 . . . . . . . . . . . 15617 1 73 DHN . 1 1 152 152 ASN N N 15 . . 1 1 152 152 ASN H H 1 . 2.69172 . . 1.5 . . . . . . . . . . . 15617 1 74 DHN . 1 1 156 156 ILE N N 15 . . 1 1 156 156 ILE H H 1 . 5.99262 . . 1.5 . . . . . . . . . . . 15617 1 75 DHN . 1 1 157 157 VAL N N 15 . . 1 1 157 157 VAL H H 1 . 1.05187 . . 1.5 . . . . . . . . . . . 15617 1 76 DHN . 1 1 158 158 CYS N N 15 . . 1 1 158 158 CYS H H 1 . -7.51561 . . 1.5 . . . . . . . . . . . 15617 1 77 DHN . 1 1 160 160 ASN N N 15 . . 1 1 160 160 ASN H H 1 . -3.76925 . . 1.5 . . . . . . . . . . . 15617 1 78 DHN . 1 1 170 170 GLN N N 15 . . 1 1 170 170 GLN H H 1 . -1.86453 . . 1.5 . . . . . . . . . . . 15617 1 79 DHN . 1 1 171 171 ILE N N 15 . . 1 1 171 171 ILE H H 1 . 2.56715 . . 1.5 . . . . . . . . . . . 15617 1 80 DHN . 1 1 172 172 ALA N N 15 . . 1 1 172 172 ALA H H 1 . -3.93246 . . 1.5 . . . . . . . . . . . 15617 1 81 DHN . 1 1 173 173 ASP N N 15 . . 1 1 173 173 ASP H H 1 . -0.20438 . . 1.5 . . . . . . . . . . . 15617 1 82 DHN . 1 1 174 174 LYS N N 15 . . 1 1 174 174 LYS H H 1 . -2.1488 . . 1.5 . . . . . . . . . . . 15617 1 83 DHN . 1 1 175 175 PHE N N 15 . . 1 1 175 175 PHE H H 1 . 2.61046 . . 1.5 . . . . . . . . . . . 15617 1 84 DHN . 1 1 176 176 VAL N N 15 . . 1 1 176 176 VAL H H 1 . -1.78449 . . 1.5 . . . . . . . . . . . 15617 1 85 DHN . 1 1 177 177 GLU N N 15 . . 1 1 177 177 GLU H H 1 . -3.32279 . . 1.5 . . . . . . . . . . . 15617 1 86 DHN . 1 1 178 178 LEU N N 15 . . 1 1 178 178 LEU H H 1 . -1.19599 . . 1.5 . . . . . . . . . . . 15617 1 87 DHN . 1 1 179 179 GLY N N 15 . . 1 1 179 179 GLY H H 1 . -4.29554 . . 1.5 . . . . . . . . . . . 15617 1 88 DHN . 1 1 180 180 TYR N N 15 . . 1 1 180 180 TYR H H 1 . 4.22836 . . 1.5 . . . . . . . . . . . 15617 1 89 DHN . 1 1 181 181 VAL N N 15 . . 1 1 181 181 VAL H H 1 . 5.75004 . . 1.5 . . . . . . . . . . . 15617 1 90 DHN . 1 1 182 182 TRP N N 15 . . 1 1 182 182 TRP H H 1 . 2.34803 . . 1.5 . . . . . . . . . . . 15617 1 91 DHN . 1 1 183 183 SER N N 15 . . 1 1 183 183 SER H H 1 . -6.01711 . . 1.5 . . . . . . . . . . . 15617 1 92 DHN . 1 1 185 185 ALA N N 15 . . 1 1 185 185 ALA H H 1 . -7.61794 . . 1.5 . . . . . . . . . . . 15617 1 93 DHN . 1 1 187 187 THR N N 15 . . 1 1 187 187 THR H H 1 . 1.67927 . . 1.5 . . . . . . . . . . . 15617 1 94 DHN . 1 1 188 188 GLU N N 15 . . 1 1 188 188 GLU H H 1 . -1.54068 . . 1.5 . . . . . . . . . . . 15617 1 95 DHN . 1 1 189 189 THR N N 15 . . 1 1 189 189 THR H H 1 . -2.14824 . . 1.5 . . . . . . . . . . . 15617 1 96 DHN . 1 1 190 190 GLY N N 15 . . 1 1 190 190 GLY H H 1 . -0.99466 . . 1.5 . . . . . . . . . . . 15617 1 97 DHN . 1 1 191 191 LEU N N 15 . . 1 1 191 191 LEU H H 1 . 2.69117 . . 1.5 . . . . . . . . . . . 15617 1 98 DHN . 1 1 192 192 ILE N N 15 . . 1 1 192 192 ILE H H 1 . -4.39721 . . 1.5 . . . . . . . . . . . 15617 1 99 DHN . 1 1 194 194 GLY N N 15 . . 1 1 194 194 GLY H H 1 . 0.98989 . . 1.5 . . . . . . . . . . . 15617 1 100 DHN . 1 1 195 195 LEU N N 15 . . 1 1 195 195 LEU H H 1 . -1.46064 . . 1.5 . . . . . . . . . . . 15617 1 101 DHN . 1 1 196 196 ARG N N 15 . . 1 1 196 196 ARG H H 1 . -2.16953 . . 1.5 . . . . . . . . . . . 15617 1 102 DHN . 1 1 197 197 ALA N N 15 . . 1 1 197 197 ALA H H 1 . -0.36648 . . 1.5 . . . . . . . . . . . 15617 1 103 DHN . 1 1 199 199 GLN N N 15 . . 1 1 199 199 GLN H H 1 . -7.77926 . . 1.5 . . . . . . . . . . . 15617 1 104 DHN . 1 1 200 200 THR N N 15 . . 1 1 200 200 THR H H 1 . -3.85517 . . 1.5 . . . . . . . . . . . 15617 1 105 DHN . 1 1 201 201 GLU N N 15 . . 1 1 201 201 GLU H H 1 . 0.05915 . . 1.5 . . . . . . . . . . . 15617 1 106 DHN . 1 1 202 202 LYS N N 15 . . 1 1 202 202 LYS H H 1 . 0.0391 . . 1.5 . . . . . . . . . . . 15617 1 107 DHN . 1 1 203 203 LEU N N 15 . . 1 1 203 203 LEU H H 1 . 6.07356 . . 1.5 . . . . . . . . . . . 15617 1 108 DHN . 1 1 213 213 SER N N 15 . . 1 1 213 213 SER H H 1 . -2.91823 . . 1.5 . . . . . . . . . . . 15617 1 109 DHN . 1 1 214 214 PHE N N 15 . . 1 1 214 214 PHE H H 1 . -3.0393 . . 1.5 . . . . . . . . . . . 15617 1 110 DHN . 1 1 215 215 GLU N N 15 . . 1 1 215 215 GLU H H 1 . -8.36587 . . 1.5 . . . . . . . . . . . 15617 1 111 DHN . 1 1 216 216 ARG N N 15 . . 1 1 216 216 ARG H H 1 . -7.49499 . . 1.5 . . . . . . . . . . . 15617 1 112 DHN . 1 1 217 217 LEU N N 15 . . 1 1 217 217 LEU H H 1 . -4.39678 . . 1.5 . . . . . . . . . . . 15617 1 113 DHN . 1 1 218 218 LEU N N 15 . . 1 1 218 218 LEU H H 1 . -5.36863 . . 1.5 . . . . . . . . . . . 15617 1 114 DHN . 1 1 219 219 VAL N N 15 . . 1 1 219 219 VAL H H 1 . -9.43929 . . 1.5 . . . . . . . . . . . 15617 1 115 DHN . 1 1 220 220 GLU N N 15 . . 1 1 220 220 GLU H H 1 . -6.53708 . . 1.5 . . . . . . . . . . . 15617 1 stop_ save_