data_18228 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18228 _Entry.Title ; Backbone and side chain assignment of TpbA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-01-27 _Entry.Accession_date 2012-01-27 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Dorothy Koveal . . . 18228 2 Wolfgang Peti . . . 18228 3 Rebecca Page . . . 18228 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18228 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 542 18228 '15N chemical shifts' 172 18228 '1H chemical shifts' 1205 18228 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2013-03-15 2012-01-27 update BMRB 'update entry citation' 18228 1 . . 2012-03-08 2012-01-27 original author 'original release' 18228 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2M3V 'BMRB Entry Tracking System' 18228 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18228 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22392344 _Citation.Full_citation . _Citation.Title 'Backbone and sidechain (1)H, (15)N and (13)C assignments of Tyrosine Phosphatase related to Biofilm formation A (TpbA) of Pseudomonas aeruginosa.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 7 _Citation.Journal_issue 1 _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 57 _Citation.Page_last 59 _Citation.Year 2013 _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 Dorothy Koveal . . . 18228 1 2 Thusitha Jayasundera . B. . 18228 1 3 Thomas Wood . K. . 18228 1 4 Wolfgang Peti . . . 18228 1 5 Rebecca Page . . . 18228 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Biofilm 18228 1 Phosphatase 18228 1 'Pseudomonas aeruginosa' 18228 1 TpbA 18228 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18228 _Assembly.ID 1 _Assembly.Name 'TpbA monomer' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'TpbA monomer' 1 $TpbA A . yes native no no . . . 18228 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Dual specificity phosphatase' 18228 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TpbA _Entity.Sf_category entity _Entity.Sf_framecode TpbA _Entity.Entry_ID 18228 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name TpbA _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GHMAETAAPRSPAWAQAVDP SINLYRMSPTLYRSALPNAQ SVALLQRLQVKTVVSFIKDD DRAWLGQAPVRVVSLPTHAD RVDDAEVLSVLRQLQAAERE GPVLMHCKHGNNRTGLFAAM YRIVVQGWDKQAALEEMQRG GFGDEDDMRDASAYVRGADV DGLRLAMANGECSPSRFALC HVREWMAQALDRP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'G26, H27 and M28 are cloning artifacts.' _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 193 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 18977 . TpbA . . . . . 100.00 193 100.00 100.00 6.53e-138 . . . . 18228 1 2 no PDB 2M3V . "Solution Structure Of Tyrosine Phosphatase Related To Biofilm Formation A (tpba) From Pseudomonas Aeruginosa" . . . . . 100.00 193 100.00 100.00 6.53e-138 . . . . 18228 1 3 no PDB 4R0S . "Crystal Structure Of P. Aeruginosa Tpba" . . . . . 99.48 218 97.40 98.44 1.43e-132 . . . . 18228 1 4 no DBJ BAK91895 . "hypothetical protein NCGM2_5074 [Pseudomonas aeruginosa NCGM2.S1]" . . . . . 99.48 218 98.96 99.48 1.10e-134 . . . . 18228 1 5 no DBJ BAP20213 . "hypothetical protein NCGM1900_1089 [Pseudomonas aeruginosa]" . . . . . 99.48 218 98.96 99.48 1.10e-134 . . . . 18228 1 6 no DBJ BAP49072 . "hypothetical protein NCGM1984_1078 [Pseudomonas aeruginosa]" . . . . . 99.48 218 98.96 99.48 1.10e-134 . . . . 18228 1 7 no DBJ BAQ37900 . "hypothetical protein PA257_1280 [Pseudomonas aeruginosa]" . . . . . 99.48 218 99.48 99.48 3.42e-135 . . . . 18228 1 8 no DBJ BAR66014 . "protein tyrosine/serine phosphatase [Pseudomonas aeruginosa]" . . . . . 99.48 218 97.40 97.92 3.77e-132 . . . . 18228 1 9 no EMBL CDH75498 . "putative protein phosphatase [Pseudomonas aeruginosa MH27]" . . . . . 99.48 218 98.96 99.48 1.10e-134 . . . . 18228 1 10 no EMBL CDM50177 . "protein tyrosine phosphatase TpbA [Pseudomonas aeruginosa WS394]" . . . . . 99.48 218 98.96 99.48 1.10e-134 . . . . 18228 1 11 no EMBL CDO83381 . "hypothetical protein PA3885 [Pseudomonas aeruginosa]" . . . . . 99.48 218 97.40 98.44 1.43e-132 . . . . 18228 1 12 no EMBL CEI03735 . "protein tyrosine phosphatase TpbA [Pseudomonas aeruginosa]" . . . . . 99.48 218 97.40 97.92 3.77e-132 . . . . 18228 1 13 no EMBL CEI78250 . "Protein tyrosine/serine phosphatase [Pseudomonas aeruginosa]" . . . . . 99.48 218 97.40 98.44 1.43e-132 . . . . 18228 1 14 no GB AAG07272 . "protein tyrosine phosphatase TpbA [Pseudomonas aeruginosa PAO1]" . . . . . 99.48 218 97.40 98.44 1.43e-132 . . . . 18228 1 15 no GB AAT49761 . "PA3885, partial [synthetic construct]" . . . . . 99.48 219 97.40 98.44 2.47e-132 . . . . 18228 1 16 no GB ABJ13157 . "putative protein phosphatase [Pseudomonas aeruginosa UCBPP-PA14]" . . . . . 99.48 218 99.48 99.48 3.42e-135 . . . . 18228 1 17 no GB AFM63275 . "protein tyrosine phosphatase TpbA [Pseudomonas aeruginosa DK2]" . . . . . 99.48 218 97.40 98.44 2.69e-132 . . . . 18228 1 18 no GB AGI79981 . "hypothetical protein G655_05280 [Pseudomonas aeruginosa B136-33]" . . . . . 99.48 218 99.48 99.48 3.42e-135 . . . . 18228 1 19 no REF NP_252574 . "protein tyrosine phosphatase TpbA [Pseudomonas aeruginosa PAO1]" . . . . . 99.48 218 97.40 98.44 1.43e-132 . . . . 18228 1 20 no REF WP_003092976 . "MULTISPECIES: protein-tyrosine-phosphatase [Pseudomonas]" . . . . . 99.48 218 98.96 99.48 1.10e-134 . . . . 18228 1 21 no REF WP_003105672 . "MULTISPECIES: protein-tyrosine-phosphatase [Pseudomonas]" . . . . . 99.48 218 97.40 98.44 1.43e-132 . . . . 18228 1 22 no REF WP_003111594 . "MULTISPECIES: protein-tyrosine-phosphatase [Pseudomonas]" . . . . . 99.48 218 99.48 99.48 3.42e-135 . . . . 18228 1 23 no REF WP_003118289 . "protein-tyrosine-phosphatase [Pseudomonas aeruginosa]" . . . . . 99.48 218 97.40 98.44 2.69e-132 . . . . 18228 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 26 GLY . 18228 1 2 27 HIS . 18228 1 3 28 MET . 18228 1 4 29 ALA . 18228 1 5 30 GLU . 18228 1 6 31 THR . 18228 1 7 32 ALA . 18228 1 8 33 ALA . 18228 1 9 34 PRO . 18228 1 10 35 ARG . 18228 1 11 36 SER . 18228 1 12 37 PRO . 18228 1 13 38 ALA . 18228 1 14 39 TRP . 18228 1 15 40 ALA . 18228 1 16 41 GLN . 18228 1 17 42 ALA . 18228 1 18 43 VAL . 18228 1 19 44 ASP . 18228 1 20 45 PRO . 18228 1 21 46 SER . 18228 1 22 47 ILE . 18228 1 23 48 ASN . 18228 1 24 49 LEU . 18228 1 25 50 TYR . 18228 1 26 51 ARG . 18228 1 27 52 MET . 18228 1 28 53 SER . 18228 1 29 54 PRO . 18228 1 30 55 THR . 18228 1 31 56 LEU . 18228 1 32 57 TYR . 18228 1 33 58 ARG . 18228 1 34 59 SER . 18228 1 35 60 ALA . 18228 1 36 61 LEU . 18228 1 37 62 PRO . 18228 1 38 63 ASN . 18228 1 39 64 ALA . 18228 1 40 65 GLN . 18228 1 41 66 SER . 18228 1 42 67 VAL . 18228 1 43 68 ALA . 18228 1 44 69 LEU . 18228 1 45 70 LEU . 18228 1 46 71 GLN . 18228 1 47 72 ARG . 18228 1 48 73 LEU . 18228 1 49 74 GLN . 18228 1 50 75 VAL . 18228 1 51 76 LYS . 18228 1 52 77 THR . 18228 1 53 78 VAL . 18228 1 54 79 VAL . 18228 1 55 80 SER . 18228 1 56 81 PHE . 18228 1 57 82 ILE . 18228 1 58 83 LYS . 18228 1 59 84 ASP . 18228 1 60 85 ASP . 18228 1 61 86 ASP . 18228 1 62 87 ARG . 18228 1 63 88 ALA . 18228 1 64 89 TRP . 18228 1 65 90 LEU . 18228 1 66 91 GLY . 18228 1 67 92 GLN . 18228 1 68 93 ALA . 18228 1 69 94 PRO . 18228 1 70 95 VAL . 18228 1 71 96 ARG . 18228 1 72 97 VAL . 18228 1 73 98 VAL . 18228 1 74 99 SER . 18228 1 75 100 LEU . 18228 1 76 101 PRO . 18228 1 77 102 THR . 18228 1 78 103 HIS . 18228 1 79 104 ALA . 18228 1 80 105 ASP . 18228 1 81 106 ARG . 18228 1 82 107 VAL . 18228 1 83 108 ASP . 18228 1 84 109 ASP . 18228 1 85 110 ALA . 18228 1 86 111 GLU . 18228 1 87 112 VAL . 18228 1 88 113 LEU . 18228 1 89 114 SER . 18228 1 90 115 VAL . 18228 1 91 116 LEU . 18228 1 92 117 ARG . 18228 1 93 118 GLN . 18228 1 94 119 LEU . 18228 1 95 120 GLN . 18228 1 96 121 ALA . 18228 1 97 122 ALA . 18228 1 98 123 GLU . 18228 1 99 124 ARG . 18228 1 100 125 GLU . 18228 1 101 126 GLY . 18228 1 102 127 PRO . 18228 1 103 128 VAL . 18228 1 104 129 LEU . 18228 1 105 130 MET . 18228 1 106 131 HIS . 18228 1 107 132 CYS . 18228 1 108 133 LYS . 18228 1 109 134 HIS . 18228 1 110 135 GLY . 18228 1 111 136 ASN . 18228 1 112 137 ASN . 18228 1 113 138 ARG . 18228 1 114 139 THR . 18228 1 115 140 GLY . 18228 1 116 141 LEU . 18228 1 117 142 PHE . 18228 1 118 143 ALA . 18228 1 119 144 ALA . 18228 1 120 145 MET . 18228 1 121 146 TYR . 18228 1 122 147 ARG . 18228 1 123 148 ILE . 18228 1 124 149 VAL . 18228 1 125 150 VAL . 18228 1 126 151 GLN . 18228 1 127 152 GLY . 18228 1 128 153 TRP . 18228 1 129 154 ASP . 18228 1 130 155 LYS . 18228 1 131 156 GLN . 18228 1 132 157 ALA . 18228 1 133 158 ALA . 18228 1 134 159 LEU . 18228 1 135 160 GLU . 18228 1 136 161 GLU . 18228 1 137 162 MET . 18228 1 138 163 GLN . 18228 1 139 164 ARG . 18228 1 140 165 GLY . 18228 1 141 166 GLY . 18228 1 142 167 PHE . 18228 1 143 168 GLY . 18228 1 144 169 ASP . 18228 1 145 170 GLU . 18228 1 146 171 ASP . 18228 1 147 172 ASP . 18228 1 148 173 MET . 18228 1 149 174 ARG . 18228 1 150 175 ASP . 18228 1 151 176 ALA . 18228 1 152 177 SER . 18228 1 153 178 ALA . 18228 1 154 179 TYR . 18228 1 155 180 VAL . 18228 1 156 181 ARG . 18228 1 157 182 GLY . 18228 1 158 183 ALA . 18228 1 159 184 ASP . 18228 1 160 185 VAL . 18228 1 161 186 ASP . 18228 1 162 187 GLY . 18228 1 163 188 LEU . 18228 1 164 189 ARG . 18228 1 165 190 LEU . 18228 1 166 191 ALA . 18228 1 167 192 MET . 18228 1 168 193 ALA . 18228 1 169 194 ASN . 18228 1 170 195 GLY . 18228 1 171 196 GLU . 18228 1 172 197 CYS . 18228 1 173 198 SER . 18228 1 174 199 PRO . 18228 1 175 200 SER . 18228 1 176 201 ARG . 18228 1 177 202 PHE . 18228 1 178 203 ALA . 18228 1 179 204 LEU . 18228 1 180 205 CYS . 18228 1 181 206 HIS . 18228 1 182 207 VAL . 18228 1 183 208 ARG . 18228 1 184 209 GLU . 18228 1 185 210 TRP . 18228 1 186 211 MET . 18228 1 187 212 ALA . 18228 1 188 213 GLN . 18228 1 189 214 ALA . 18228 1 190 215 LEU . 18228 1 191 216 ASP . 18228 1 192 217 ARG . 18228 1 193 218 PRO . 18228 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 . GLY 1 1 18228 1 . HIS 2 2 18228 1 . MET 3 3 18228 1 . ALA 4 4 18228 1 . GLU 5 5 18228 1 . THR 6 6 18228 1 . ALA 7 7 18228 1 . ALA 8 8 18228 1 . PRO 9 9 18228 1 . ARG 10 10 18228 1 . SER 11 11 18228 1 . PRO 12 12 18228 1 . ALA 13 13 18228 1 . TRP 14 14 18228 1 . ALA 15 15 18228 1 . GLN 16 16 18228 1 . ALA 17 17 18228 1 . VAL 18 18 18228 1 . ASP 19 19 18228 1 . PRO 20 20 18228 1 . SER 21 21 18228 1 . ILE 22 22 18228 1 . ASN 23 23 18228 1 . LEU 24 24 18228 1 . TYR 25 25 18228 1 . ARG 26 26 18228 1 . MET 27 27 18228 1 . SER 28 28 18228 1 . PRO 29 29 18228 1 . THR 30 30 18228 1 . LEU 31 31 18228 1 . TYR 32 32 18228 1 . ARG 33 33 18228 1 . SER 34 34 18228 1 . ALA 35 35 18228 1 . LEU 36 36 18228 1 . PRO 37 37 18228 1 . ASN 38 38 18228 1 . ALA 39 39 18228 1 . GLN 40 40 18228 1 . SER 41 41 18228 1 . VAL 42 42 18228 1 . ALA 43 43 18228 1 . LEU 44 44 18228 1 . LEU 45 45 18228 1 . GLN 46 46 18228 1 . ARG 47 47 18228 1 . LEU 48 48 18228 1 . GLN 49 49 18228 1 . VAL 50 50 18228 1 . LYS 51 51 18228 1 . THR 52 52 18228 1 . VAL 53 53 18228 1 . VAL 54 54 18228 1 . SER 55 55 18228 1 . PHE 56 56 18228 1 . ILE 57 57 18228 1 . LYS 58 58 18228 1 . ASP 59 59 18228 1 . ASP 60 60 18228 1 . ASP 61 61 18228 1 . ARG 62 62 18228 1 . ALA 63 63 18228 1 . TRP 64 64 18228 1 . LEU 65 65 18228 1 . GLY 66 66 18228 1 . GLN 67 67 18228 1 . ALA 68 68 18228 1 . PRO 69 69 18228 1 . VAL 70 70 18228 1 . ARG 71 71 18228 1 . VAL 72 72 18228 1 . VAL 73 73 18228 1 . SER 74 74 18228 1 . LEU 75 75 18228 1 . PRO 76 76 18228 1 . THR 77 77 18228 1 . HIS 78 78 18228 1 . ALA 79 79 18228 1 . ASP 80 80 18228 1 . ARG 81 81 18228 1 . VAL 82 82 18228 1 . ASP 83 83 18228 1 . ASP 84 84 18228 1 . ALA 85 85 18228 1 . GLU 86 86 18228 1 . VAL 87 87 18228 1 . LEU 88 88 18228 1 . SER 89 89 18228 1 . VAL 90 90 18228 1 . LEU 91 91 18228 1 . ARG 92 92 18228 1 . GLN 93 93 18228 1 . LEU 94 94 18228 1 . GLN 95 95 18228 1 . ALA 96 96 18228 1 . ALA 97 97 18228 1 . GLU 98 98 18228 1 . ARG 99 99 18228 1 . GLU 100 100 18228 1 . GLY 101 101 18228 1 . PRO 102 102 18228 1 . VAL 103 103 18228 1 . LEU 104 104 18228 1 . MET 105 105 18228 1 . HIS 106 106 18228 1 . CYS 107 107 18228 1 . LYS 108 108 18228 1 . HIS 109 109 18228 1 . GLY 110 110 18228 1 . ASN 111 111 18228 1 . ASN 112 112 18228 1 . ARG 113 113 18228 1 . THR 114 114 18228 1 . GLY 115 115 18228 1 . LEU 116 116 18228 1 . PHE 117 117 18228 1 . ALA 118 118 18228 1 . ALA 119 119 18228 1 . MET 120 120 18228 1 . TYR 121 121 18228 1 . ARG 122 122 18228 1 . ILE 123 123 18228 1 . VAL 124 124 18228 1 . VAL 125 125 18228 1 . GLN 126 126 18228 1 . GLY 127 127 18228 1 . TRP 128 128 18228 1 . ASP 129 129 18228 1 . LYS 130 130 18228 1 . GLN 131 131 18228 1 . ALA 132 132 18228 1 . ALA 133 133 18228 1 . LEU 134 134 18228 1 . GLU 135 135 18228 1 . GLU 136 136 18228 1 . MET 137 137 18228 1 . GLN 138 138 18228 1 . ARG 139 139 18228 1 . GLY 140 140 18228 1 . GLY 141 141 18228 1 . PHE 142 142 18228 1 . GLY 143 143 18228 1 . ASP 144 144 18228 1 . GLU 145 145 18228 1 . ASP 146 146 18228 1 . ASP 147 147 18228 1 . MET 148 148 18228 1 . ARG 149 149 18228 1 . ASP 150 150 18228 1 . ALA 151 151 18228 1 . SER 152 152 18228 1 . ALA 153 153 18228 1 . TYR 154 154 18228 1 . VAL 155 155 18228 1 . ARG 156 156 18228 1 . GLY 157 157 18228 1 . ALA 158 158 18228 1 . ASP 159 159 18228 1 . VAL 160 160 18228 1 . ASP 161 161 18228 1 . GLY 162 162 18228 1 . LEU 163 163 18228 1 . ARG 164 164 18228 1 . LEU 165 165 18228 1 . ALA 166 166 18228 1 . MET 167 167 18228 1 . ALA 168 168 18228 1 . ASN 169 169 18228 1 . GLY 170 170 18228 1 . GLU 171 171 18228 1 . CYS 172 172 18228 1 . SER 173 173 18228 1 . PRO 174 174 18228 1 . SER 175 175 18228 1 . ARG 176 176 18228 1 . PHE 177 177 18228 1 . ALA 178 178 18228 1 . LEU 179 179 18228 1 . CYS 180 180 18228 1 . HIS 181 181 18228 1 . VAL 182 182 18228 1 . ARG 183 183 18228 1 . GLU 184 184 18228 1 . TRP 185 185 18228 1 . MET 186 186 18228 1 . ALA 187 187 18228 1 . GLN 188 188 18228 1 . ALA 189 189 18228 1 . LEU 190 190 18228 1 . ASP 191 191 18228 1 . ARG 192 192 18228 1 . PRO 193 193 18228 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 18228 _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 $TpbA . 287 organism . 'Pseudomonas aeruginosa' 'Pseudomonas aeruginosa' . . Bacteria . Pseudomonas aeruginosa . . . . . . . . . . . . . . . . . . . . . 18228 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 18228 _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 $TpbA . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pRP1B . . . . . . 18228 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18228 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 TpbA [U-15N] . . 1 $TpbA . . 1.1 . . mM . . . . 18228 1 2 TRIS 'natural abundance' . . . . . . 10 . . mM . . . . 18228 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 18228 1 4 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 18228 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18228 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 TpbA '[U-13C, U-15N]' . . 1 $TpbA . . 1.0 . . mM . . . . 18228 2 2 TRIS 'natural abundance' . . . . . . 10 . . mM . . . . 18228 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 18228 2 4 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 18228 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 18228 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 TpbA 'natural abundance' . . 1 $TpbA . . 1.0 . . mM . . . . 18228 3 2 TRIS 'natural abundance' . . . . . . 10 . . mM . . . . 18228 3 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 18228 3 4 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 18228 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18228 _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 18228 1 pH 7.8 . pH 18228 1 pressure 1 . atm 18228 1 temperature 298 . K 18228 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18228 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18228 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18228 1 processing 18228 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 18228 _Software.ID 2 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 18228 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18228 2 'peak picking' 18228 2 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 18228 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18228 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 18228 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 . . . 18228 1 2 spectrometer_2 Bruker Avance . 800 . . . 18228 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 18228 _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 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18228 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18228 1 3 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18228 1 4 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18228 1 5 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18228 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18228 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18228 1 8 '2D 1H-1H TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18228 1 9 '2D 1H-1H NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18228 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18228 1 11 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18228 1 12 '3D (H)CCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18228 1 13 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18228 1 14 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18228 1 15 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18228 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 18228 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18228 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18228 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18228 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 18228 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18228 1 2 '3D CBCA(CO)NH' . . . 18228 1 3 '3D C(CO)NH' . . . 18228 1 4 '3D HNCA' . . . 18228 1 5 '3D HNCACB' . . . 18228 1 6 '3D HBHA(CO)NH' . . . 18228 1 7 '3D 1H-15N NOESY' . . . 18228 1 8 '2D 1H-1H TOCSY' . . . 18228 1 9 '2D 1H-1H NOESY' . . . 18228 1 10 '3D HCCH-TOCSY' . . . 18228 1 11 '3D HCCH-COSY' . . . 18228 1 12 '3D (H)CCH-TOCSY' . . . 18228 1 13 '3D 1H-13C NOESY' . . . 18228 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 HIS HA H 1 4.535 0.03 . 1 . . . . 27 HIS HA . 18228 1 2 . 1 1 2 2 HIS HB2 H 1 2.975 0.03 . 2 . . . . 27 HIS HB2 . 18228 1 3 . 1 1 2 2 HIS HB3 H 1 2.975 0.03 . 2 . . . . 27 HIS HB3 . 18228 1 4 . 1 1 2 2 HIS CA C 13 56.055 0.50 . 1 . . . . 27 HIS CA . 18228 1 5 . 1 1 2 2 HIS CB C 13 30.754 0.50 . 1 . . . . 27 HIS CB . 18228 1 6 . 1 1 3 3 MET HA H 1 4.335 0.03 . 1 . . . . 28 MET HA . 18228 1 7 . 1 1 3 3 MET HB2 H 1 1.959 0.03 . 1 . . . . 28 MET HB2 . 18228 1 8 . 1 1 3 3 MET HB3 H 1 1.865 0.03 . 1 . . . . 28 MET HB3 . 18228 1 9 . 1 1 3 3 MET HG2 H 1 2.427 0.03 . 1 . . . . 28 MET HG2 . 18228 1 10 . 1 1 3 3 MET HG3 H 1 2.365 0.03 . 1 . . . . 28 MET HG3 . 18228 1 11 . 1 1 3 3 MET CA C 13 55.311 0.50 . 1 . . . . 28 MET CA . 18228 1 12 . 1 1 3 3 MET CB C 13 32.490 0.50 . 1 . . . . 28 MET CB . 18228 1 13 . 1 1 3 3 MET CG C 13 31.746 0.50 . 1 . . . . 28 MET CG . 18228 1 14 . 1 1 4 4 ALA H H 1 8.347 0.03 . 1 . . . . 29 ALA H . 18228 1 15 . 1 1 4 4 ALA HA H 1 4.207 0.03 . 1 . . . . 29 ALA HA . 18228 1 16 . 1 1 4 4 ALA HB1 H 1 1.276 0.03 . 1 . . . . 29 ALA HB . 18228 1 17 . 1 1 4 4 ALA HB2 H 1 1.276 0.03 . 1 . . . . 29 ALA HB . 18228 1 18 . 1 1 4 4 ALA HB3 H 1 1.276 0.03 . 1 . . . . 29 ALA HB . 18228 1 19 . 1 1 4 4 ALA CA C 13 52.334 0.50 . 1 . . . . 29 ALA CA . 18228 1 20 . 1 1 4 4 ALA CB C 13 19.343 0.50 . 1 . . . . 29 ALA CB . 18228 1 21 . 1 1 4 4 ALA N N 15 125.534 0.25 . 1 . . . . 29 ALA N . 18228 1 22 . 1 1 5 5 GLU H H 1 8.377 0.03 . 1 . . . . 30 GLU H . 18228 1 23 . 1 1 5 5 GLU HA H 1 4.220 0.03 . 1 . . . . 30 GLU HA . 18228 1 24 . 1 1 5 5 GLU HB2 H 1 1.980 0.03 . 1 . . . . 30 GLU HB2 . 18228 1 25 . 1 1 5 5 GLU HB3 H 1 1.879 0.03 . 1 . . . . 30 GLU HB3 . 18228 1 26 . 1 1 5 5 GLU HG2 H 1 2.186 0.03 . 2 . . . . 30 GLU HG2 . 18228 1 27 . 1 1 5 5 GLU HG3 H 1 2.186 0.03 . 2 . . . . 30 GLU HG3 . 18228 1 28 . 1 1 5 5 GLU CA C 13 56.799 0.50 . 1 . . . . 30 GLU CA . 18228 1 29 . 1 1 5 5 GLU CB C 13 30.010 0.50 . 1 . . . . 30 GLU CB . 18228 1 30 . 1 1 5 5 GLU CG C 13 36.459 0.50 . 1 . . . . 30 GLU CG . 18228 1 31 . 1 1 5 5 GLU N N 15 120.408 0.25 . 1 . . . . 30 GLU N . 18228 1 32 . 1 1 6 6 THR H H 1 8.066 0.03 . 1 . . . . 31 THR H . 18228 1 33 . 1 1 6 6 THR HA H 1 4.212 0.03 . 1 . . . . 31 THR HA . 18228 1 34 . 1 1 6 6 THR HB H 1 4.099 0.03 . 1 . . . . 31 THR HB . 18228 1 35 . 1 1 6 6 THR HG21 H 1 1.114 0.03 . 1 . . . . 31 THR HG2 . 18228 1 36 . 1 1 6 6 THR HG22 H 1 1.114 0.03 . 1 . . . . 31 THR HG2 . 18228 1 37 . 1 1 6 6 THR HG23 H 1 1.114 0.03 . 1 . . . . 31 THR HG2 . 18228 1 38 . 1 1 6 6 THR CA C 13 61.264 0.50 . 1 . . . . 31 THR CA . 18228 1 39 . 1 1 6 6 THR CB C 13 69.698 0.50 . 1 . . . . 31 THR CB . 18228 1 40 . 1 1 6 6 THR CG2 C 13 21.328 0.50 . 1 . . . . 31 THR CG2 . 18228 1 41 . 1 1 6 6 THR N N 15 115.146 0.25 . 1 . . . . 31 THR N . 18228 1 42 . 1 1 7 7 ALA H H 1 8.191 0.03 . 1 . . . . 32 ALA H . 18228 1 43 . 1 1 7 7 ALA HA H 1 4.207 0.03 . 1 . . . . 32 ALA HA . 18228 1 44 . 1 1 7 7 ALA HB1 H 1 1.284 0.03 . 1 . . . . 32 ALA HB . 18228 1 45 . 1 1 7 7 ALA HB2 H 1 1.284 0.03 . 1 . . . . 32 ALA HB . 18228 1 46 . 1 1 7 7 ALA HB3 H 1 1.284 0.03 . 1 . . . . 32 ALA HB . 18228 1 47 . 1 1 7 7 ALA CA C 13 51.838 0.50 . 1 . . . . 32 ALA CA . 18228 1 48 . 1 1 7 7 ALA CB C 13 19.343 0.50 . 1 . . . . 32 ALA CB . 18228 1 49 . 1 1 7 7 ALA N N 15 126.779 0.25 . 1 . . . . 32 ALA N . 18228 1 50 . 1 1 8 8 ALA H H 1 8.154 0.03 . 1 . . . . 33 ALA H . 18228 1 51 . 1 1 8 8 ALA HA H 1 4.434 0.03 . 1 . . . . 33 ALA HA . 18228 1 52 . 1 1 8 8 ALA HB1 H 1 1.214 0.03 . 1 . . . . 33 ALA HB . 18228 1 53 . 1 1 8 8 ALA HB2 H 1 1.214 0.03 . 1 . . . . 33 ALA HB . 18228 1 54 . 1 1 8 8 ALA HB3 H 1 1.214 0.03 . 1 . . . . 33 ALA HB . 18228 1 55 . 1 1 8 8 ALA CA C 13 50.598 0.50 . 1 . . . . 33 ALA CA . 18228 1 56 . 1 1 8 8 ALA CB C 13 18.103 0.50 . 1 . . . . 33 ALA CB . 18228 1 57 . 1 1 8 8 ALA N N 15 125.023 0.25 . 1 . . . . 33 ALA N . 18228 1 58 . 1 1 9 9 PRO HA H 1 4.240 0.03 . 1 . . . . 34 PRO HA . 18228 1 59 . 1 1 9 9 PRO HB2 H 1 2.126 0.03 . 1 . . . . 34 PRO HB2 . 18228 1 60 . 1 1 9 9 PRO HB3 H 1 1.693 0.03 . 1 . . . . 34 PRO HB3 . 18228 1 61 . 1 1 9 9 PRO HG2 H 1 1.866 0.03 . 2 . . . . 34 PRO HG2 . 18228 1 62 . 1 1 9 9 PRO HG3 H 1 1.866 0.03 . 2 . . . . 34 PRO HG3 . 18228 1 63 . 1 1 9 9 PRO HD2 H 1 3.667 0.03 . 1 . . . . 34 PRO HD2 . 18228 1 64 . 1 1 9 9 PRO HD3 H 1 3.479 0.03 . 1 . . . . 34 PRO HD3 . 18228 1 65 . 1 1 9 9 PRO CA C 13 62.505 0.50 . 1 . . . . 34 PRO CA . 18228 1 66 . 1 1 9 9 PRO CB C 13 31.994 0.50 . 1 . . . . 34 PRO CB . 18228 1 67 . 1 1 9 9 PRO CG C 13 27.033 0.50 . 1 . . . . 34 PRO CG . 18228 1 68 . 1 1 9 9 PRO CD C 13 50.102 0.50 . 1 . . . . 34 PRO CD . 18228 1 69 . 1 1 10 10 ARG H H 1 8.243 0.03 . 1 . . . . 35 ARG H . 18228 1 70 . 1 1 10 10 ARG HA H 1 3.718 0.03 . 1 . . . . 35 ARG HA . 18228 1 71 . 1 1 10 10 ARG HB2 H 1 1.545 0.03 . 2 . . . . 35 ARG HB2 . 18228 1 72 . 1 1 10 10 ARG HB3 H 1 1.545 0.03 . 2 . . . . 35 ARG HB3 . 18228 1 73 . 1 1 10 10 ARG HG2 H 1 1.602 0.03 . 2 . . . . 35 ARG HG2 . 18228 1 74 . 1 1 10 10 ARG HG3 H 1 1.602 0.03 . 2 . . . . 35 ARG HG3 . 18228 1 75 . 1 1 10 10 ARG CA C 13 56.303 0.50 . 1 . . . . 35 ARG CA . 18228 1 76 . 1 1 10 10 ARG CB C 13 31.250 0.50 . 1 . . . . 35 ARG CB . 18228 1 77 . 1 1 10 10 ARG CG C 13 28.646 0.50 . 1 . . . . 35 ARG CG . 18228 1 78 . 1 1 10 10 ARG N N 15 123.412 0.25 . 1 . . . . 35 ARG N . 18228 1 79 . 1 1 11 11 SER H H 1 6.838 0.03 . 1 . . . . 36 SER H . 18228 1 80 . 1 1 11 11 SER HA H 1 4.637 0.03 . 1 . . . . 36 SER HA . 18228 1 81 . 1 1 11 11 SER HB2 H 1 3.760 0.03 . 2 . . . . 36 SER HB2 . 18228 1 82 . 1 1 11 11 SER HB3 H 1 3.760 0.03 . 2 . . . . 36 SER HB3 . 18228 1 83 . 1 1 11 11 SER CA C 13 56.427 0.50 . 1 . . . . 36 SER CA . 18228 1 84 . 1 1 11 11 SER CB C 13 63.249 0.50 . 1 . . . . 36 SER CB . 18228 1 85 . 1 1 11 11 SER N N 15 120.455 0.25 . 1 . . . . 36 SER N . 18228 1 86 . 1 1 12 12 PRO HA H 1 4.335 0.03 . 1 . . . . 37 PRO HA . 18228 1 87 . 1 1 12 12 PRO HB2 H 1 2.158 0.03 . 1 . . . . 37 PRO HB2 . 18228 1 88 . 1 1 12 12 PRO HB3 H 1 1.849 0.03 . 1 . . . . 37 PRO HB3 . 18228 1 89 . 1 1 12 12 PRO HG2 H 1 1.955 0.03 . 1 . . . . 37 PRO HG2 . 18228 1 90 . 1 1 12 12 PRO HG3 H 1 1.849 0.03 . 1 . . . . 37 PRO HG3 . 18228 1 91 . 1 1 12 12 PRO HD2 H 1 3.666 0.03 . 2 . . . . 37 PRO HD2 . 18228 1 92 . 1 1 12 12 PRO HD3 H 1 3.666 0.03 . 2 . . . . 37 PRO HD3 . 18228 1 93 . 1 1 12 12 PRO CA C 13 63.993 0.50 . 1 . . . . 37 PRO CA . 18228 1 94 . 1 1 12 12 PRO CB C 13 32.119 0.50 . 1 . . . . 37 PRO CB . 18228 1 95 . 1 1 12 12 PRO CG C 13 26.785 0.50 . 1 . . . . 37 PRO CG . 18228 1 96 . 1 1 12 12 PRO CD C 13 51.094 0.50 . 1 . . . . 37 PRO CD . 18228 1 97 . 1 1 13 13 ALA H H 1 7.712 0.03 . 1 . . . . 38 ALA H . 18228 1 98 . 1 1 13 13 ALA HA H 1 4.198 0.03 . 1 . . . . 38 ALA HA . 18228 1 99 . 1 1 13 13 ALA HB1 H 1 1.276 0.03 . 1 . . . . 38 ALA HB . 18228 1 100 . 1 1 13 13 ALA HB2 H 1 1.276 0.03 . 1 . . . . 38 ALA HB . 18228 1 101 . 1 1 13 13 ALA HB3 H 1 1.276 0.03 . 1 . . . . 38 ALA HB . 18228 1 102 . 1 1 13 13 ALA CA C 13 52.582 0.50 . 1 . . . . 38 ALA CA . 18228 1 103 . 1 1 13 13 ALA CB C 13 19.095 0.50 . 1 . . . . 38 ALA CB . 18228 1 104 . 1 1 13 13 ALA N N 15 118.775 0.25 . 1 . . . . 38 ALA N . 18228 1 105 . 1 1 14 14 TRP H H 1 7.326 0.03 . 1 . . . . 39 TRP H . 18228 1 106 . 1 1 14 14 TRP HA H 1 5.151 0.03 . 1 . . . . 39 TRP HA . 18228 1 107 . 1 1 14 14 TRP HB2 H 1 3.430 0.03 . 2 . . . . 39 TRP HB2 . 18228 1 108 . 1 1 14 14 TRP HB3 H 1 3.430 0.03 . 2 . . . . 39 TRP HB3 . 18228 1 109 . 1 1 14 14 TRP HD1 H 1 7.415 0.03 . 1 . . . . 39 TRP HD1 . 18228 1 110 . 1 1 14 14 TRP HE1 H 1 10.841 0.03 . 1 . . . . 39 TRP HE1 . 18228 1 111 . 1 1 14 14 TRP HE3 H 1 7.521 0.03 . 1 . . . . 39 TRP HE3 . 18228 1 112 . 1 1 14 14 TRP HZ2 H 1 6.838 0.03 . 1 . . . . 39 TRP HZ2 . 18228 1 113 . 1 1 14 14 TRP HZ3 H 1 7.138 0.03 . 1 . . . . 39 TRP HZ3 . 18228 1 114 . 1 1 14 14 TRP HH2 H 1 6.993 0.03 . 1 . . . . 39 TRP HH2 . 18228 1 115 . 1 1 14 14 TRP CA C 13 54.938 0.50 . 1 . . . . 39 TRP CA . 18228 1 116 . 1 1 14 14 TRP CB C 13 30.258 0.50 . 1 . . . . 39 TRP CB . 18228 1 117 . 1 1 14 14 TRP N N 15 116.188 0.25 . 1 . . . . 39 TRP N . 18228 1 118 . 1 1 14 14 TRP NE1 N 15 129.654 0.25 . 1 . . . . 39 TRP NE1 . 18228 1 119 . 1 1 15 15 ALA H H 1 8.937 0.03 . 1 . . . . 40 ALA H . 18228 1 120 . 1 1 15 15 ALA HA H 1 4.642 0.03 . 1 . . . . 40 ALA HA . 18228 1 121 . 1 1 15 15 ALA HB1 H 1 1.290 0.03 . 1 . . . . 40 ALA HB . 18228 1 122 . 1 1 15 15 ALA HB2 H 1 1.290 0.03 . 1 . . . . 40 ALA HB . 18228 1 123 . 1 1 15 15 ALA HB3 H 1 1.290 0.03 . 1 . . . . 40 ALA HB . 18228 1 124 . 1 1 15 15 ALA CA C 13 52.831 0.50 . 1 . . . . 40 ALA CA . 18228 1 125 . 1 1 15 15 ALA CB C 13 19.343 0.50 . 1 . . . . 40 ALA CB . 18228 1 126 . 1 1 15 15 ALA N N 15 122.473 0.25 . 1 . . . . 40 ALA N . 18228 1 127 . 1 1 16 16 GLN H H 1 8.235 0.03 . 1 . . . . 41 GLN H . 18228 1 128 . 1 1 16 16 GLN HA H 1 4.698 0.03 . 1 . . . . 41 GLN HA . 18228 1 129 . 1 1 16 16 GLN HB2 H 1 2.169 0.03 . 1 . . . . 41 GLN HB2 . 18228 1 130 . 1 1 16 16 GLN HB3 H 1 2.004 0.03 . 1 . . . . 41 GLN HB3 . 18228 1 131 . 1 1 16 16 GLN HG2 H 1 2.607 0.03 . 1 . . . . 41 GLN HG2 . 18228 1 132 . 1 1 16 16 GLN HG3 H 1 2.507 0.03 . 1 . . . . 41 GLN HG3 . 18228 1 133 . 1 1 16 16 GLN HE21 H 1 7.661 0.03 . 1 . . . . 41 GLN HE21 . 18228 1 134 . 1 1 16 16 GLN HE22 H 1 7.072 0.03 . 1 . . . . 41 GLN HE22 . 18228 1 135 . 1 1 16 16 GLN CA C 13 54.567 0.50 . 1 . . . . 41 GLN CA . 18228 1 136 . 1 1 16 16 GLN CB C 13 31.126 0.50 . 1 . . . . 41 GLN CB . 18228 1 137 . 1 1 16 16 GLN CG C 13 33.731 0.50 . 1 . . . . 41 GLN CG . 18228 1 138 . 1 1 16 16 GLN N N 15 121.500 0.25 . 1 . . . . 41 GLN N . 18228 1 139 . 1 1 16 16 GLN NE2 N 15 114.784 0.25 . 1 . . . . 41 GLN NE2 . 18228 1 140 . 1 1 17 17 ALA H H 1 9.351 0.03 . 1 . . . . 42 ALA H . 18228 1 141 . 1 1 17 17 ALA HA H 1 2.990 0.03 . 1 . . . . 42 ALA HA . 18228 1 142 . 1 1 17 17 ALA HB1 H 1 1.012 0.03 . 1 . . . . 42 ALA HB . 18228 1 143 . 1 1 17 17 ALA HB2 H 1 1.012 0.03 . 1 . . . . 42 ALA HB . 18228 1 144 . 1 1 17 17 ALA HB3 H 1 1.012 0.03 . 1 . . . . 42 ALA HB . 18228 1 145 . 1 1 17 17 ALA CA C 13 54.071 0.50 . 1 . . . . 42 ALA CA . 18228 1 146 . 1 1 17 17 ALA CB C 13 18.351 0.50 . 1 . . . . 42 ALA CB . 18228 1 147 . 1 1 17 17 ALA N N 15 128.964 0.25 . 1 . . . . 42 ALA N . 18228 1 148 . 1 1 18 18 VAL H H 1 8.350 0.03 . 1 . . . . 43 VAL H . 18228 1 149 . 1 1 18 18 VAL HA H 1 4.097 0.03 . 1 . . . . 43 VAL HA . 18228 1 150 . 1 1 18 18 VAL HB H 1 1.534 0.03 . 1 . . . . 43 VAL HB . 18228 1 151 . 1 1 18 18 VAL HG11 H 1 1.043 0.03 . 1 . . . . 43 VAL HG1 . 18228 1 152 . 1 1 18 18 VAL HG12 H 1 1.043 0.03 . 1 . . . . 43 VAL HG1 . 18228 1 153 . 1 1 18 18 VAL HG13 H 1 1.043 0.03 . 1 . . . . 43 VAL HG1 . 18228 1 154 . 1 1 18 18 VAL HG21 H 1 0.893 0.03 . 1 . . . . 43 VAL HG2 . 18228 1 155 . 1 1 18 18 VAL HG22 H 1 0.893 0.03 . 1 . . . . 43 VAL HG2 . 18228 1 156 . 1 1 18 18 VAL HG23 H 1 0.893 0.03 . 1 . . . . 43 VAL HG2 . 18228 1 157 . 1 1 18 18 VAL CA C 13 63.249 0.50 . 1 . . . . 43 VAL CA . 18228 1 158 . 1 1 18 18 VAL CB C 13 34.723 0.50 . 1 . . . . 43 VAL CB . 18228 1 159 . 1 1 18 18 VAL CG1 C 13 22.072 0.50 . 1 . . . . 43 VAL CG1 . 18228 1 160 . 1 1 18 18 VAL CG2 C 13 21.328 0.50 . 1 . . . . 43 VAL CG2 . 18228 1 161 . 1 1 18 18 VAL N N 15 121.514 0.25 . 1 . . . . 43 VAL N . 18228 1 162 . 1 1 19 19 ASP H H 1 7.213 0.03 . 1 . . . . 44 ASP H . 18228 1 163 . 1 1 19 19 ASP HA H 1 4.974 0.03 . 1 . . . . 44 ASP HA . 18228 1 164 . 1 1 19 19 ASP HB2 H 1 2.609 0.03 . 1 . . . . 44 ASP HB2 . 18228 1 165 . 1 1 19 19 ASP HB3 H 1 2.357 0.03 . 1 . . . . 44 ASP HB3 . 18228 1 166 . 1 1 19 19 ASP CA C 13 51.466 0.50 . 1 . . . . 44 ASP CA . 18228 1 167 . 1 1 19 19 ASP CB C 13 43.032 0.50 . 1 . . . . 44 ASP CB . 18228 1 168 . 1 1 19 19 ASP N N 15 113.289 0.25 . 1 . . . . 44 ASP N . 18228 1 169 . 1 1 20 20 PRO HA H 1 4.325 0.03 . 1 . . . . 45 PRO HA . 18228 1 170 . 1 1 20 20 PRO HB2 H 1 2.318 0.03 . 1 . . . . 45 PRO HB2 . 18228 1 171 . 1 1 20 20 PRO HB3 H 1 1.966 0.03 . 1 . . . . 45 PRO HB3 . 18228 1 172 . 1 1 20 20 PRO HG2 H 1 1.947 0.03 . 1 . . . . 45 PRO HG2 . 18228 1 173 . 1 1 20 20 PRO HG3 H 1 1.809 0.03 . 1 . . . . 45 PRO HG3 . 18228 1 174 . 1 1 20 20 PRO HD2 H 1 3.812 0.03 . 1 . . . . 45 PRO HD2 . 18228 1 175 . 1 1 20 20 PRO HD3 H 1 3.444 0.03 . 1 . . . . 45 PRO HD3 . 18228 1 176 . 1 1 20 20 PRO CA C 13 64.241 0.50 . 1 . . . . 45 PRO CA . 18228 1 177 . 1 1 20 20 PRO CB C 13 32.490 0.50 . 1 . . . . 45 PRO CB . 18228 1 178 . 1 1 20 20 PRO CG C 13 27.158 0.50 . 1 . . . . 45 PRO CG . 18228 1 179 . 1 1 20 20 PRO CD C 13 50.846 0.50 . 1 . . . . 45 PRO CD . 18228 1 180 . 1 1 21 21 SER H H 1 8.439 0.03 . 1 . . . . 46 SER H . 18228 1 181 . 1 1 21 21 SER HA H 1 3.886 0.03 . 1 . . . . 46 SER HA . 18228 1 182 . 1 1 21 21 SER HB2 H 1 4.110 0.03 . 2 . . . . 46 SER HB2 . 18228 1 183 . 1 1 21 21 SER HB3 H 1 4.110 0.03 . 2 . . . . 46 SER HB3 . 18228 1 184 . 1 1 21 21 SER CA C 13 62.257 0.50 . 1 . . . . 46 SER CA . 18228 1 185 . 1 1 21 21 SER CB C 13 62.257 0.50 . 1 . . . . 46 SER CB . 18228 1 186 . 1 1 21 21 SER N N 15 116.943 0.25 . 1 . . . . 46 SER N . 18228 1 187 . 1 1 22 22 ILE H H 1 6.440 0.03 . 1 . . . . 47 ILE H . 18228 1 188 . 1 1 22 22 ILE HA H 1 4.437 0.03 . 1 . . . . 47 ILE HA . 18228 1 189 . 1 1 22 22 ILE HB H 1 1.745 0.03 . 1 . . . . 47 ILE HB . 18228 1 190 . 1 1 22 22 ILE HG12 H 1 1.103 0.03 . 2 . . . . 47 ILE HG12 . 18228 1 191 . 1 1 22 22 ILE HG13 H 1 1.103 0.03 . 2 . . . . 47 ILE HG13 . 18228 1 192 . 1 1 22 22 ILE HG21 H 1 0.562 0.03 . 1 . . . . 47 ILE HG2 . 18228 1 193 . 1 1 22 22 ILE HG22 H 1 0.562 0.03 . 1 . . . . 47 ILE HG2 . 18228 1 194 . 1 1 22 22 ILE HG23 H 1 0.562 0.03 . 1 . . . . 47 ILE HG2 . 18228 1 195 . 1 1 22 22 ILE HD11 H 1 0.566 0.03 . 1 . . . . 47 ILE HD1 . 18228 1 196 . 1 1 22 22 ILE HD12 H 1 0.566 0.03 . 1 . . . . 47 ILE HD1 . 18228 1 197 . 1 1 22 22 ILE HD13 H 1 0.566 0.03 . 1 . . . . 47 ILE HD1 . 18228 1 198 . 1 1 22 22 ILE CA C 13 60.272 0.50 . 1 . . . . 47 ILE CA . 18228 1 199 . 1 1 22 22 ILE CB C 13 38.195 0.50 . 1 . . . . 47 ILE CB . 18228 1 200 . 1 1 22 22 ILE CG1 C 13 26.166 0.50 . 1 . . . . 47 ILE CG1 . 18228 1 201 . 1 1 22 22 ILE CG2 C 13 17.732 0.50 . 1 . . . . 47 ILE CG2 . 18228 1 202 . 1 1 22 22 ILE CD1 C 13 13.390 0.50 . 1 . . . . 47 ILE CD1 . 18228 1 203 . 1 1 22 22 ILE N N 15 111.992 0.25 . 1 . . . . 47 ILE N . 18228 1 204 . 1 1 23 23 ASN H H 1 7.634 0.03 . 1 . . . . 48 ASN H . 18228 1 205 . 1 1 23 23 ASN HA H 1 4.378 0.03 . 1 . . . . 48 ASN HA . 18228 1 206 . 1 1 23 23 ASN HB2 H 1 3.330 0.03 . 1 . . . . 48 ASN HB2 . 18228 1 207 . 1 1 23 23 ASN HB3 H 1 2.599 0.03 . 1 . . . . 48 ASN HB3 . 18228 1 208 . 1 1 23 23 ASN HD21 H 1 7.304 0.03 . 1 . . . . 48 ASN HD21 . 18228 1 209 . 1 1 23 23 ASN HD22 H 1 7.190 0.03 . 1 . . . . 48 ASN HD22 . 18228 1 210 . 1 1 23 23 ASN CA C 13 53.327 0.50 . 1 . . . . 48 ASN CA . 18228 1 211 . 1 1 23 23 ASN CB C 13 38.692 0.50 . 1 . . . . 48 ASN CB . 18228 1 212 . 1 1 23 23 ASN N N 15 121.489 0.25 . 1 . . . . 48 ASN N . 18228 1 213 . 1 1 23 23 ASN ND2 N 15 107.959 0.25 . 1 . . . . 48 ASN ND2 . 18228 1 214 . 1 1 24 24 LEU H H 1 7.866 0.03 . 1 . . . . 49 LEU H . 18228 1 215 . 1 1 24 24 LEU HA H 1 5.361 0.03 . 1 . . . . 49 LEU HA . 18228 1 216 . 1 1 24 24 LEU HB2 H 1 1.757 0.03 . 1 . . . . 49 LEU HB2 . 18228 1 217 . 1 1 24 24 LEU HB3 H 1 1.292 0.03 . 1 . . . . 49 LEU HB3 . 18228 1 218 . 1 1 24 24 LEU HG H 1 1.373 0.03 . 1 . . . . 49 LEU HG . 18228 1 219 . 1 1 24 24 LEU HD11 H 1 0.660 0.03 . 1 . . . . 49 LEU HD1 . 18228 1 220 . 1 1 24 24 LEU HD12 H 1 0.660 0.03 . 1 . . . . 49 LEU HD1 . 18228 1 221 . 1 1 24 24 LEU HD13 H 1 0.660 0.03 . 1 . . . . 49 LEU HD1 . 18228 1 222 . 1 1 24 24 LEU HD21 H 1 0.869 0.03 . 1 . . . . 49 LEU HD2 . 18228 1 223 . 1 1 24 24 LEU HD22 H 1 0.869 0.03 . 1 . . . . 49 LEU HD2 . 18228 1 224 . 1 1 24 24 LEU HD23 H 1 0.869 0.03 . 1 . . . . 49 LEU HD2 . 18228 1 225 . 1 1 24 24 LEU CA C 13 54.815 0.50 . 1 . . . . 49 LEU CA . 18228 1 226 . 1 1 24 24 LEU CB C 13 43.467 0.50 . 1 . . . . 49 LEU CB . 18228 1 227 . 1 1 24 24 LEU CG C 13 27.777 0.50 . 1 . . . . 49 LEU CG . 18228 1 228 . 1 1 24 24 LEU CD1 C 13 27.777 0.50 . 1 . . . . 49 LEU CD1 . 18228 1 229 . 1 1 24 24 LEU CD2 C 13 26.537 0.50 . 1 . . . . 49 LEU CD2 . 18228 1 230 . 1 1 24 24 LEU N N 15 117.655 0.25 . 1 . . . . 49 LEU N . 18228 1 231 . 1 1 25 25 TYR H H 1 9.924 0.03 . 1 . . . . 50 TYR H . 18228 1 232 . 1 1 25 25 TYR HA H 1 5.188 0.03 . 1 . . . . 50 TYR HA . 18228 1 233 . 1 1 25 25 TYR HB2 H 1 2.599 0.03 . 2 . . . . 50 TYR HB2 . 18228 1 234 . 1 1 25 25 TYR HB3 H 1 2.599 0.03 . 2 . . . . 50 TYR HB3 . 18228 1 235 . 1 1 25 25 TYR HD1 H 1 6.895 0.03 . 3 . . . . 50 TYR HD1 . 18228 1 236 . 1 1 25 25 TYR HD2 H 1 6.895 0.03 . 3 . . . . 50 TYR HD2 . 18228 1 237 . 1 1 25 25 TYR HE1 H 1 6.744 0.03 . 3 . . . . 50 TYR HE1 . 18228 1 238 . 1 1 25 25 TYR HE2 H 1 6.744 0.03 . 3 . . . . 50 TYR HE2 . 18228 1 239 . 1 1 25 25 TYR CA C 13 56.427 0.50 . 1 . . . . 50 TYR CA . 18228 1 240 . 1 1 25 25 TYR CB C 13 43.653 0.50 . 1 . . . . 50 TYR CB . 18228 1 241 . 1 1 25 25 TYR N N 15 128.042 0.25 . 1 . . . . 50 TYR N . 18228 1 242 . 1 1 26 26 ARG H H 1 9.747 0.03 . 1 . . . . 51 ARG H . 18228 1 243 . 1 1 26 26 ARG HA H 1 4.111 0.03 . 1 . . . . 51 ARG HA . 18228 1 244 . 1 1 26 26 ARG HB2 H 1 1.762 0.03 . 1 . . . . 51 ARG HB2 . 18228 1 245 . 1 1 26 26 ARG HB3 H 1 1.477 0.03 . 1 . . . . 51 ARG HB3 . 18228 1 246 . 1 1 26 26 ARG HG2 H 1 1.247 0.03 . 2 . . . . 51 ARG HG2 . 18228 1 247 . 1 1 26 26 ARG HG3 H 1 1.247 0.03 . 2 . . . . 51 ARG HG3 . 18228 1 248 . 1 1 26 26 ARG HD2 H 1 3.049 0.03 . 2 . . . . 51 ARG HD2 . 18228 1 249 . 1 1 26 26 ARG HD3 H 1 3.049 0.03 . 2 . . . . 51 ARG HD3 . 18228 1 250 . 1 1 26 26 ARG CA C 13 56.427 0.50 . 1 . . . . 51 ARG CA . 18228 1 251 . 1 1 26 26 ARG CB C 13 33.111 0.50 . 1 . . . . 51 ARG CB . 18228 1 252 . 1 1 26 26 ARG CG C 13 26.662 0.50 . 1 . . . . 51 ARG CG . 18228 1 253 . 1 1 26 26 ARG CD C 13 43.156 0.50 . 1 . . . . 51 ARG CD . 18228 1 254 . 1 1 26 26 ARG N N 15 122.787 0.25 . 1 . . . . 51 ARG N . 18228 1 255 . 1 1 27 27 MET H H 1 9.268 0.03 . 1 . . . . 52 MET H . 18228 1 256 . 1 1 27 27 MET HA H 1 4.294 0.03 . 1 . . . . 52 MET HA . 18228 1 257 . 1 1 27 27 MET HB2 H 1 1.946 0.03 . 2 . . . . 52 MET HB2 . 18228 1 258 . 1 1 27 27 MET HB3 H 1 1.946 0.03 . 2 . . . . 52 MET HB3 . 18228 1 259 . 1 1 27 27 MET HG2 H 1 2.276 0.03 . 2 . . . . 52 MET HG2 . 18228 1 260 . 1 1 27 27 MET HG3 H 1 2.276 0.03 . 2 . . . . 52 MET HG3 . 18228 1 261 . 1 1 27 27 MET HE1 H 1 1.779 0.03 . 1 . . . . 52 MET HE . 18228 1 262 . 1 1 27 27 MET HE2 H 1 1.779 0.03 . 1 . . . . 52 MET HE . 18228 1 263 . 1 1 27 27 MET HE3 H 1 1.779 0.03 . 1 . . . . 52 MET HE . 18228 1 264 . 1 1 27 27 MET CA C 13 57.419 0.50 . 1 . . . . 52 MET CA . 18228 1 265 . 1 1 27 27 MET CB C 13 33.482 0.50 . 1 . . . . 52 MET CB . 18228 1 266 . 1 1 27 27 MET CG C 13 32.119 0.50 . 1 . . . . 52 MET CG . 18228 1 267 . 1 1 27 27 MET CE C 13 12.294 0.50 . 1 . . . . 52 MET CE . 18228 1 268 . 1 1 27 27 MET N N 15 127.391 0.25 . 1 . . . . 52 MET N . 18228 1 269 . 1 1 28 28 SER H H 1 8.654 0.03 . 1 . . . . 53 SER H . 18228 1 270 . 1 1 28 28 SER HA H 1 4.822 0.03 . 1 . . . . 53 SER HA . 18228 1 271 . 1 1 28 28 SER HB2 H 1 4.267 0.03 . 2 . . . . 53 SER HB2 . 18228 1 272 . 1 1 28 28 SER HB3 H 1 4.267 0.03 . 2 . . . . 53 SER HB3 . 18228 1 273 . 1 1 28 28 SER CA C 13 56.303 0.50 . 1 . . . . 53 SER CA . 18228 1 274 . 1 1 28 28 SER CB C 13 62.876 0.50 . 1 . . . . 53 SER CB . 18228 1 275 . 1 1 28 28 SER N N 15 119.956 0.25 . 1 . . . . 53 SER N . 18228 1 276 . 1 1 29 29 PRO HA H 1 4.236 0.03 . 1 . . . . 54 PRO HA . 18228 1 277 . 1 1 29 29 PRO HB2 H 1 2.472 0.03 . 1 . . . . 54 PRO HB2 . 18228 1 278 . 1 1 29 29 PRO HB3 H 1 1.865 0.03 . 1 . . . . 54 PRO HB3 . 18228 1 279 . 1 1 29 29 PRO HG2 H 1 1.880 0.03 . 1 . . . . 54 PRO HG2 . 18228 1 280 . 1 1 29 29 PRO HG3 H 1 1.810 0.03 . 1 . . . . 54 PRO HG3 . 18228 1 281 . 1 1 29 29 PRO CA C 13 64.737 0.50 . 1 . . . . 54 PRO CA . 18228 1 282 . 1 1 29 29 PRO CB C 13 33.111 0.50 . 1 . . . . 54 PRO CB . 18228 1 283 . 1 1 29 29 PRO CG C 13 28.150 0.50 . 1 . . . . 54 PRO CG . 18228 1 284 . 1 1 30 30 THR H H 1 7.800 0.03 . 1 . . . . 55 THR H . 18228 1 285 . 1 1 30 30 THR HA H 1 4.441 0.03 . 1 . . . . 55 THR HA . 18228 1 286 . 1 1 30 30 THR HB H 1 4.703 0.03 . 1 . . . . 55 THR HB . 18228 1 287 . 1 1 30 30 THR HG21 H 1 0.970 0.03 . 1 . . . . 55 THR HG2 . 18228 1 288 . 1 1 30 30 THR HG22 H 1 0.970 0.03 . 1 . . . . 55 THR HG2 . 18228 1 289 . 1 1 30 30 THR HG23 H 1 0.970 0.03 . 1 . . . . 55 THR HG2 . 18228 1 290 . 1 1 30 30 THR CA C 13 59.776 0.50 . 1 . . . . 55 THR CA . 18228 1 291 . 1 1 30 30 THR CB C 13 68.829 0.50 . 1 . . . . 55 THR CB . 18228 1 292 . 1 1 30 30 THR CG2 C 13 22.320 0.50 . 1 . . . . 55 THR CG2 . 18228 1 293 . 1 1 30 30 THR N N 15 102.199 0.25 . 1 . . . . 55 THR N . 18228 1 294 . 1 1 31 31 LEU H H 1 7.425 0.03 . 1 . . . . 56 LEU H . 18228 1 295 . 1 1 31 31 LEU HA H 1 5.304 0.03 . 1 . . . . 56 LEU HA . 18228 1 296 . 1 1 31 31 LEU HB2 H 1 1.385 0.03 . 1 . . . . 56 LEU HB2 . 18228 1 297 . 1 1 31 31 LEU HB3 H 1 0.881 0.03 . 1 . . . . 56 LEU HB3 . 18228 1 298 . 1 1 31 31 LEU HG H 1 1.025 0.03 . 1 . . . . 56 LEU HG . 18228 1 299 . 1 1 31 31 LEU HD11 H 1 -0.289 0.03 . 1 . . . . 56 LEU HD1 . 18228 1 300 . 1 1 31 31 LEU HD12 H 1 -0.289 0.03 . 1 . . . . 56 LEU HD1 . 18228 1 301 . 1 1 31 31 LEU HD13 H 1 -0.289 0.03 . 1 . . . . 56 LEU HD1 . 18228 1 302 . 1 1 31 31 LEU HD21 H 1 0.668 0.03 . 1 . . . . 56 LEU HD2 . 18228 1 303 . 1 1 31 31 LEU HD22 H 1 0.668 0.03 . 1 . . . . 56 LEU HD2 . 18228 1 304 . 1 1 31 31 LEU HD23 H 1 0.668 0.03 . 1 . . . . 56 LEU HD2 . 18228 1 305 . 1 1 31 31 LEU CA C 13 55.559 0.50 . 1 . . . . 56 LEU CA . 18228 1 306 . 1 1 31 31 LEU CB C 13 44.645 0.50 . 1 . . . . 56 LEU CB . 18228 1 307 . 1 1 31 31 LEU CG C 13 27.281 0.50 . 1 . . . . 56 LEU CG . 18228 1 308 . 1 1 31 31 LEU CD1 C 13 25.049 0.50 . 1 . . . . 56 LEU CD1 . 18228 1 309 . 1 1 31 31 LEU CD2 C 13 22.568 0.50 . 1 . . . . 56 LEU CD2 . 18228 1 310 . 1 1 31 31 LEU N N 15 125.855 0.25 . 1 . . . . 56 LEU N . 18228 1 311 . 1 1 32 32 TYR H H 1 9.343 0.03 . 1 . . . . 57 TYR H . 18228 1 312 . 1 1 32 32 TYR HA H 1 5.127 0.03 . 1 . . . . 57 TYR HA . 18228 1 313 . 1 1 32 32 TYR HB2 H 1 2.909 0.03 . 1 . . . . 57 TYR HB2 . 18228 1 314 . 1 1 32 32 TYR HB3 H 1 2.711 0.03 . 1 . . . . 57 TYR HB3 . 18228 1 315 . 1 1 32 32 TYR HD1 H 1 6.813 0.03 . 3 . . . . 57 TYR HD1 . 18228 1 316 . 1 1 32 32 TYR HD2 H 1 6.813 0.03 . 3 . . . . 57 TYR HD2 . 18228 1 317 . 1 1 32 32 TYR HE1 H 1 6.626 0.03 . 3 . . . . 57 TYR HE1 . 18228 1 318 . 1 1 32 32 TYR HE2 H 1 6.626 0.03 . 3 . . . . 57 TYR HE2 . 18228 1 319 . 1 1 32 32 TYR CA C 13 56.303 0.50 . 1 . . . . 57 TYR CA . 18228 1 320 . 1 1 32 32 TYR CB C 13 42.412 0.50 . 1 . . . . 57 TYR CB . 18228 1 321 . 1 1 32 32 TYR N N 15 126.620 0.25 . 1 . . . . 57 TYR N . 18228 1 322 . 1 1 33 33 ARG H H 1 9.137 0.03 . 1 . . . . 58 ARG H . 18228 1 323 . 1 1 33 33 ARG HA H 1 6.063 0.03 . 1 . . . . 58 ARG HA . 18228 1 324 . 1 1 33 33 ARG HB2 H 1 1.953 0.03 . 1 . . . . 58 ARG HB2 . 18228 1 325 . 1 1 33 33 ARG HB3 H 1 1.197 0.03 . 1 . . . . 58 ARG HB3 . 18228 1 326 . 1 1 33 33 ARG CA C 13 51.962 0.50 . 1 . . . . 58 ARG CA . 18228 1 327 . 1 1 33 33 ARG CB C 13 33.731 0.50 . 1 . . . . 58 ARG CB . 18228 1 328 . 1 1 33 33 ARG N N 15 117.008 0.25 . 1 . . . . 58 ARG N . 18228 1 329 . 1 1 34 34 SER H H 1 8.731 0.03 . 1 . . . . 59 SER H . 18228 1 330 . 1 1 34 34 SER HA H 1 5.475 0.03 . 1 . . . . 59 SER HA . 18228 1 331 . 1 1 34 34 SER HB2 H 1 4.173 0.03 . 1 . . . . 59 SER HB2 . 18228 1 332 . 1 1 34 34 SER HB3 H 1 3.714 0.03 . 1 . . . . 59 SER HB3 . 18228 1 333 . 1 1 34 34 SER CA C 13 59.776 0.50 . 1 . . . . 59 SER CA . 18228 1 334 . 1 1 34 34 SER CB C 13 67.837 0.50 . 1 . . . . 59 SER CB . 18228 1 335 . 1 1 34 34 SER N N 15 117.037 0.25 . 1 . . . . 59 SER N . 18228 1 336 . 1 1 35 35 ALA H H 1 7.761 0.03 . 1 . . . . 60 ALA H . 18228 1 337 . 1 1 35 35 ALA HA H 1 3.974 0.03 . 1 . . . . 60 ALA HA . 18228 1 338 . 1 1 35 35 ALA HB1 H 1 1.308 0.03 . 1 . . . . 60 ALA HB . 18228 1 339 . 1 1 35 35 ALA HB2 H 1 1.308 0.03 . 1 . . . . 60 ALA HB . 18228 1 340 . 1 1 35 35 ALA HB3 H 1 1.308 0.03 . 1 . . . . 60 ALA HB . 18228 1 341 . 1 1 35 35 ALA CA C 13 51.094 0.50 . 1 . . . . 60 ALA CA . 18228 1 342 . 1 1 35 35 ALA CB C 13 20.088 0.50 . 1 . . . . 60 ALA CB . 18228 1 343 . 1 1 35 35 ALA N N 15 115.120 0.25 . 1 . . . . 60 ALA N . 18228 1 344 . 1 1 36 36 LEU H H 1 7.508 0.03 . 1 . . . . 61 LEU H . 18228 1 345 . 1 1 36 36 LEU HA H 1 3.638 0.03 . 1 . . . . 61 LEU HA . 18228 1 346 . 1 1 36 36 LEU HB2 H 1 1.579 0.03 . 2 . . . . 61 LEU HB2 . 18228 1 347 . 1 1 36 36 LEU HB3 H 1 1.579 0.03 . 2 . . . . 61 LEU HB3 . 18228 1 348 . 1 1 36 36 LEU HG H 1 1.579 0.03 . 1 . . . . 61 LEU HG . 18228 1 349 . 1 1 36 36 LEU HD11 H 1 0.784 0.03 . 1 . . . . 61 LEU HD1 . 18228 1 350 . 1 1 36 36 LEU HD12 H 1 0.784 0.03 . 1 . . . . 61 LEU HD1 . 18228 1 351 . 1 1 36 36 LEU HD13 H 1 0.784 0.03 . 1 . . . . 61 LEU HD1 . 18228 1 352 . 1 1 36 36 LEU HD21 H 1 0.813 0.03 . 1 . . . . 61 LEU HD2 . 18228 1 353 . 1 1 36 36 LEU HD22 H 1 0.813 0.03 . 1 . . . . 61 LEU HD2 . 18228 1 354 . 1 1 36 36 LEU HD23 H 1 0.813 0.03 . 1 . . . . 61 LEU HD2 . 18228 1 355 . 1 1 36 36 LEU CA C 13 53.946 0.50 . 1 . . . . 61 LEU CA . 18228 1 356 . 1 1 36 36 LEU CB C 13 42.536 0.50 . 1 . . . . 61 LEU CB . 18228 1 357 . 1 1 36 36 LEU CG C 13 26.166 0.50 . 1 . . . . 61 LEU CG . 18228 1 358 . 1 1 36 36 LEU CD1 C 13 26.166 0.50 . 1 . . . . 61 LEU CD1 . 18228 1 359 . 1 1 36 36 LEU CD2 C 13 24.181 0.50 . 1 . . . . 61 LEU CD2 . 18228 1 360 . 1 1 36 36 LEU N N 15 122.688 0.25 . 1 . . . . 61 LEU N . 18228 1 361 . 1 1 38 38 ASN H H 1 6.634 0.03 . 1 . . . . 63 ASN H . 18228 1 362 . 1 1 38 38 ASN HA H 1 4.214 0.03 . 1 . . . . 63 ASN HA . 18228 1 363 . 1 1 38 38 ASN HB2 H 1 2.837 0.03 . 1 . . . . 63 ASN HB2 . 18228 1 364 . 1 1 38 38 ASN HB3 H 1 2.538 0.03 . 1 . . . . 63 ASN HB3 . 18228 1 365 . 1 1 38 38 ASN HD21 H 1 7.472 0.03 . 1 . . . . 63 ASN HD21 . 18228 1 366 . 1 1 38 38 ASN HD22 H 1 6.647 0.03 . 1 . . . . 63 ASN HD22 . 18228 1 367 . 1 1 38 38 ASN CA C 13 50.846 0.50 . 1 . . . . 63 ASN CA . 18228 1 368 . 1 1 38 38 ASN CB C 13 40.924 0.50 . 1 . . . . 63 ASN CB . 18228 1 369 . 1 1 38 38 ASN N N 15 108.727 0.25 . 1 . . . . 63 ASN N . 18228 1 370 . 1 1 38 38 ASN ND2 N 15 114.540 0.25 . 1 . . . . 63 ASN ND2 . 18228 1 371 . 1 1 39 39 ALA H H 1 8.919 0.03 . 1 . . . . 64 ALA H . 18228 1 372 . 1 1 39 39 ALA HA H 1 4.528 0.03 . 1 . . . . 64 ALA HA . 18228 1 373 . 1 1 39 39 ALA HB1 H 1 1.551 0.03 . 1 . . . . 64 ALA HB . 18228 1 374 . 1 1 39 39 ALA HB2 H 1 1.551 0.03 . 1 . . . . 64 ALA HB . 18228 1 375 . 1 1 39 39 ALA HB3 H 1 1.551 0.03 . 1 . . . . 64 ALA HB . 18228 1 376 . 1 1 39 39 ALA CA C 13 55.311 0.50 . 1 . . . . 64 ALA CA . 18228 1 377 . 1 1 39 39 ALA CB C 13 18.351 0.50 . 1 . . . . 64 ALA CB . 18228 1 378 . 1 1 39 39 ALA N N 15 121.566 0.25 . 1 . . . . 64 ALA N . 18228 1 379 . 1 1 40 40 GLN H H 1 8.456 0.03 . 1 . . . . 65 GLN H . 18228 1 380 . 1 1 40 40 GLN HA H 1 4.154 0.03 . 1 . . . . 65 GLN HA . 18228 1 381 . 1 1 40 40 GLN HB2 H 1 2.116 0.03 . 2 . . . . 65 GLN HB2 . 18228 1 382 . 1 1 40 40 GLN HB3 H 1 2.116 0.03 . 2 . . . . 65 GLN HB3 . 18228 1 383 . 1 1 40 40 GLN HG2 H 1 2.367 0.03 . 2 . . . . 65 GLN HG2 . 18228 1 384 . 1 1 40 40 GLN HG3 H 1 2.367 0.03 . 2 . . . . 65 GLN HG3 . 18228 1 385 . 1 1 40 40 GLN CA C 13 58.040 0.50 . 1 . . . . 65 GLN CA . 18228 1 386 . 1 1 40 40 GLN CB C 13 27.777 0.50 . 1 . . . . 65 GLN CB . 18228 1 387 . 1 1 40 40 GLN CG C 13 34.723 0.50 . 1 . . . . 65 GLN CG . 18228 1 388 . 1 1 40 40 GLN N N 15 116.181 0.25 . 1 . . . . 65 GLN N . 18228 1 389 . 1 1 41 41 SER H H 1 8.051 0.03 . 1 . . . . 66 SER H . 18228 1 390 . 1 1 41 41 SER HA H 1 4.369 0.03 . 1 . . . . 66 SER HA . 18228 1 391 . 1 1 41 41 SER HB2 H 1 3.628 0.03 . 2 . . . . 66 SER HB2 . 18228 1 392 . 1 1 41 41 SER HB3 H 1 3.628 0.03 . 2 . . . . 66 SER HB3 . 18228 1 393 . 1 1 41 41 SER CA C 13 59.032 0.50 . 1 . . . . 66 SER CA . 18228 1 394 . 1 1 41 41 SER CB C 13 62.505 0.50 . 1 . . . . 66 SER CB . 18228 1 395 . 1 1 41 41 SER N N 15 114.566 0.25 . 1 . . . . 66 SER N . 18228 1 396 . 1 1 42 42 VAL H H 1 7.301 0.03 . 1 . . . . 67 VAL H . 18228 1 397 . 1 1 42 42 VAL HA H 1 3.277 0.03 . 1 . . . . 67 VAL HA . 18228 1 398 . 1 1 42 42 VAL HB H 1 2.132 0.03 . 1 . . . . 67 VAL HB . 18228 1 399 . 1 1 42 42 VAL HG11 H 1 1.331 0.03 . 1 . . . . 67 VAL HG1 . 18228 1 400 . 1 1 42 42 VAL HG12 H 1 1.331 0.03 . 1 . . . . 67 VAL HG1 . 18228 1 401 . 1 1 42 42 VAL HG13 H 1 1.331 0.03 . 1 . . . . 67 VAL HG1 . 18228 1 402 . 1 1 42 42 VAL HG21 H 1 0.888 0.03 . 1 . . . . 67 VAL HG2 . 18228 1 403 . 1 1 42 42 VAL HG22 H 1 0.888 0.03 . 1 . . . . 67 VAL HG2 . 18228 1 404 . 1 1 42 42 VAL HG23 H 1 0.888 0.03 . 1 . . . . 67 VAL HG2 . 18228 1 405 . 1 1 42 42 VAL CA C 13 68.458 0.50 . 1 . . . . 67 VAL CA . 18228 1 406 . 1 1 42 42 VAL CB C 13 31.746 0.50 . 1 . . . . 67 VAL CB . 18228 1 407 . 1 1 42 42 VAL CG1 C 13 24.553 0.50 . 1 . . . . 67 VAL CG1 . 18228 1 408 . 1 1 42 42 VAL CG2 C 13 21.080 0.50 . 1 . . . . 67 VAL CG2 . 18228 1 409 . 1 1 42 42 VAL N N 15 119.947 0.25 . 1 . . . . 67 VAL N . 18228 1 410 . 1 1 43 43 ALA H H 1 8.182 0.03 . 1 . . . . 68 ALA H . 18228 1 411 . 1 1 43 43 ALA HA H 1 4.066 0.03 . 1 . . . . 68 ALA HA . 18228 1 412 . 1 1 43 43 ALA HB1 H 1 1.324 0.03 . 1 . . . . 68 ALA HB . 18228 1 413 . 1 1 43 43 ALA HB2 H 1 1.324 0.03 . 1 . . . . 68 ALA HB . 18228 1 414 . 1 1 43 43 ALA HB3 H 1 1.324 0.03 . 1 . . . . 68 ALA HB . 18228 1 415 . 1 1 43 43 ALA CA C 13 55.559 0.50 . 1 . . . . 68 ALA CA . 18228 1 416 . 1 1 43 43 ALA CB C 13 17.732 0.50 . 1 . . . . 68 ALA CB . 18228 1 417 . 1 1 43 43 ALA N N 15 121.034 0.25 . 1 . . . . 68 ALA N . 18228 1 418 . 1 1 44 44 LEU H H 1 7.389 0.03 . 1 . . . . 69 LEU H . 18228 1 419 . 1 1 44 44 LEU HA H 1 3.971 0.03 . 1 . . . . 69 LEU HA . 18228 1 420 . 1 1 44 44 LEU HB2 H 1 1.806 0.03 . 1 . . . . 69 LEU HB2 . 18228 1 421 . 1 1 44 44 LEU HB3 H 1 1.586 0.03 . 1 . . . . 69 LEU HB3 . 18228 1 422 . 1 1 44 44 LEU HG H 1 1.199 0.03 . 1 . . . . 69 LEU HG . 18228 1 423 . 1 1 44 44 LEU HD11 H 1 0.789 0.03 . 1 . . . . 69 LEU HD1 . 18228 1 424 . 1 1 44 44 LEU HD12 H 1 0.789 0.03 . 1 . . . . 69 LEU HD1 . 18228 1 425 . 1 1 44 44 LEU HD13 H 1 0.789 0.03 . 1 . . . . 69 LEU HD1 . 18228 1 426 . 1 1 44 44 LEU HD21 H 1 0.667 0.03 . 1 . . . . 69 LEU HD2 . 18228 1 427 . 1 1 44 44 LEU HD22 H 1 0.667 0.03 . 1 . . . . 69 LEU HD2 . 18228 1 428 . 1 1 44 44 LEU HD23 H 1 0.667 0.03 . 1 . . . . 69 LEU HD2 . 18228 1 429 . 1 1 44 44 LEU CA C 13 58.411 0.50 . 1 . . . . 69 LEU CA . 18228 1 430 . 1 1 44 44 LEU CB C 13 40.924 0.50 . 1 . . . . 69 LEU CB . 18228 1 431 . 1 1 44 44 LEU CG C 13 27.158 0.50 . 1 . . . . 69 LEU CG . 18228 1 432 . 1 1 44 44 LEU CD1 C 13 26.662 0.50 . 1 . . . . 69 LEU CD1 . 18228 1 433 . 1 1 44 44 LEU CD2 C 13 26.662 0.50 . 1 . . . . 69 LEU CD2 . 18228 1 434 . 1 1 44 44 LEU N N 15 120.794 0.25 . 1 . . . . 69 LEU N . 18228 1 435 . 1 1 45 45 LEU H H 1 7.896 0.03 . 1 . . . . 70 LEU H . 18228 1 436 . 1 1 45 45 LEU HA H 1 3.537 0.03 . 1 . . . . 70 LEU HA . 18228 1 437 . 1 1 45 45 LEU HB2 H 1 1.813 0.03 . 1 . . . . 70 LEU HB2 . 18228 1 438 . 1 1 45 45 LEU HB3 H 1 1.115 0.03 . 1 . . . . 70 LEU HB3 . 18228 1 439 . 1 1 45 45 LEU HG H 1 1.710 0.03 . 1 . . . . 70 LEU HG . 18228 1 440 . 1 1 45 45 LEU HD11 H 1 0.702 0.03 . 1 . . . . 70 LEU HD1 . 18228 1 441 . 1 1 45 45 LEU HD12 H 1 0.702 0.03 . 1 . . . . 70 LEU HD1 . 18228 1 442 . 1 1 45 45 LEU HD13 H 1 0.702 0.03 . 1 . . . . 70 LEU HD1 . 18228 1 443 . 1 1 45 45 LEU HD21 H 1 0.562 0.03 . 1 . . . . 70 LEU HD2 . 18228 1 444 . 1 1 45 45 LEU HD22 H 1 0.562 0.03 . 1 . . . . 70 LEU HD2 . 18228 1 445 . 1 1 45 45 LEU HD23 H 1 0.562 0.03 . 1 . . . . 70 LEU HD2 . 18228 1 446 . 1 1 45 45 LEU CA C 13 58.411 0.50 . 1 . . . . 70 LEU CA . 18228 1 447 . 1 1 45 45 LEU CB C 13 40.180 0.50 . 1 . . . . 70 LEU CB . 18228 1 448 . 1 1 45 45 LEU CG C 13 27.158 0.50 . 1 . . . . 70 LEU CG . 18228 1 449 . 1 1 45 45 LEU CD1 C 13 24.677 0.50 . 1 . . . . 70 LEU CD1 . 18228 1 450 . 1 1 45 45 LEU CD2 C 13 23.064 0.50 . 1 . . . . 70 LEU CD2 . 18228 1 451 . 1 1 45 45 LEU N N 15 117.425 0.25 . 1 . . . . 70 LEU N . 18228 1 452 . 1 1 46 46 GLN H H 1 8.247 0.03 . 1 . . . . 71 GLN H . 18228 1 453 . 1 1 46 46 GLN HA H 1 4.033 0.03 . 1 . . . . 71 GLN HA . 18228 1 454 . 1 1 46 46 GLN HB2 H 1 2.114 0.03 . 1 . . . . 71 GLN HB2 . 18228 1 455 . 1 1 46 46 GLN HB3 H 1 1.975 0.03 . 1 . . . . 71 GLN HB3 . 18228 1 456 . 1 1 46 46 GLN HG2 H 1 2.357 0.03 . 2 . . . . 71 GLN HG2 . 18228 1 457 . 1 1 46 46 GLN HG3 H 1 2.357 0.03 . 2 . . . . 71 GLN HG3 . 18228 1 458 . 1 1 46 46 GLN CA C 13 59.032 0.50 . 1 . . . . 71 GLN CA . 18228 1 459 . 1 1 46 46 GLN CB C 13 28.521 0.50 . 1 . . . . 71 GLN CB . 18228 1 460 . 1 1 46 46 GLN CG C 13 34.227 0.50 . 1 . . . . 71 GLN CG . 18228 1 461 . 1 1 46 46 GLN N N 15 116.979 0.25 . 1 . . . . 71 GLN N . 18228 1 462 . 1 1 47 47 ARG H H 1 7.939 0.03 . 1 . . . . 72 ARG H . 18228 1 463 . 1 1 47 47 ARG HA H 1 4.001 0.03 . 1 . . . . 72 ARG HA . 18228 1 464 . 1 1 47 47 ARG HB2 H 1 1.969 0.03 . 1 . . . . 72 ARG HB2 . 18228 1 465 . 1 1 47 47 ARG HB3 H 1 1.898 0.03 . 1 . . . . 72 ARG HB3 . 18228 1 466 . 1 1 47 47 ARG HG2 H 1 1.748 0.03 . 1 . . . . 72 ARG HG2 . 18228 1 467 . 1 1 47 47 ARG HG3 H 1 1.561 0.03 . 1 . . . . 72 ARG HG3 . 18228 1 468 . 1 1 47 47 ARG HD2 H 1 3.137 0.03 . 2 . . . . 72 ARG HD2 . 18228 1 469 . 1 1 47 47 ARG HD3 H 1 3.137 0.03 . 2 . . . . 72 ARG HD3 . 18228 1 470 . 1 1 47 47 ARG CA C 13 59.776 0.50 . 1 . . . . 72 ARG CA . 18228 1 471 . 1 1 47 47 ARG CB C 13 29.514 0.50 . 1 . . . . 72 ARG CB . 18228 1 472 . 1 1 47 47 ARG CG C 13 27.529 0.50 . 1 . . . . 72 ARG CG . 18228 1 473 . 1 1 47 47 ARG CD C 13 43.653 0.50 . 1 . . . . 72 ARG CD . 18228 1 474 . 1 1 47 47 ARG N N 15 123.740 0.25 . 1 . . . . 72 ARG N . 18228 1 475 . 1 1 48 48 LEU H H 1 7.844 0.03 . 1 . . . . 73 LEU H . 18228 1 476 . 1 1 48 48 LEU HA H 1 4.055 0.03 . 1 . . . . 73 LEU HA . 18228 1 477 . 1 1 48 48 LEU HB2 H 1 1.402 0.03 . 1 . . . . 73 LEU HB2 . 18228 1 478 . 1 1 48 48 LEU HB3 H 1 1.131 0.03 . 1 . . . . 73 LEU HB3 . 18228 1 479 . 1 1 48 48 LEU HG H 1 1.660 0.03 . 1 . . . . 73 LEU HG . 18228 1 480 . 1 1 48 48 LEU HD11 H 1 0.148 0.03 . 1 . . . . 73 LEU HD1 . 18228 1 481 . 1 1 48 48 LEU HD12 H 1 0.148 0.03 . 1 . . . . 73 LEU HD1 . 18228 1 482 . 1 1 48 48 LEU HD13 H 1 0.148 0.03 . 1 . . . . 73 LEU HD1 . 18228 1 483 . 1 1 48 48 LEU HD21 H 1 0.677 0.03 . 1 . . . . 73 LEU HD2 . 18228 1 484 . 1 1 48 48 LEU HD22 H 1 0.677 0.03 . 1 . . . . 73 LEU HD2 . 18228 1 485 . 1 1 48 48 LEU HD23 H 1 0.677 0.03 . 1 . . . . 73 LEU HD2 . 18228 1 486 . 1 1 48 48 LEU CA C 13 54.815 0.50 . 1 . . . . 73 LEU CA . 18228 1 487 . 1 1 48 48 LEU CB C 13 41.668 0.50 . 1 . . . . 73 LEU CB . 18228 1 488 . 1 1 48 48 LEU CG C 13 25.297 0.50 . 1 . . . . 73 LEU CG . 18228 1 489 . 1 1 48 48 LEU CD1 C 13 25.297 0.50 . 1 . . . . 73 LEU CD1 . 18228 1 490 . 1 1 48 48 LEU CD2 C 13 20.709 0.50 . 1 . . . . 73 LEU CD2 . 18228 1 491 . 1 1 48 48 LEU N N 15 117.586 0.25 . 1 . . . . 73 LEU N . 18228 1 492 . 1 1 49 49 GLN H H 1 7.583 0.03 . 1 . . . . 74 GLN H . 18228 1 493 . 1 1 49 49 GLN HA H 1 3.686 0.03 . 1 . . . . 74 GLN HA . 18228 1 494 . 1 1 49 49 GLN HB2 H 1 2.344 0.03 . 1 . . . . 74 GLN HB2 . 18228 1 495 . 1 1 49 49 GLN HB3 H 1 2.181 0.03 . 1 . . . . 74 GLN HB3 . 18228 1 496 . 1 1 49 49 GLN HG2 H 1 2.182 0.03 . 2 . . . . 74 GLN HG2 . 18228 1 497 . 1 1 49 49 GLN HG3 H 1 2.182 0.03 . 2 . . . . 74 GLN HG3 . 18228 1 498 . 1 1 49 49 GLN HE21 H 1 7.634 0.03 . 1 . . . . 74 GLN HE21 . 18228 1 499 . 1 1 49 49 GLN HE22 H 1 6.707 0.03 . 1 . . . . 74 GLN HE22 . 18228 1 500 . 1 1 49 49 GLN CA C 13 56.055 0.50 . 1 . . . . 74 GLN CA . 18228 1 501 . 1 1 49 49 GLN CB C 13 25.545 0.50 . 1 . . . . 74 GLN CB . 18228 1 502 . 1 1 49 49 GLN CG C 13 33.607 0.50 . 1 . . . . 74 GLN CG . 18228 1 503 . 1 1 49 49 GLN N N 15 112.160 0.25 . 1 . . . . 74 GLN N . 18228 1 504 . 1 1 49 49 GLN NE2 N 15 108.446 0.25 . 1 . . . . 74 GLN NE2 . 18228 1 505 . 1 1 50 50 VAL H H 1 7.424 0.03 . 1 . . . . 75 VAL H . 18228 1 506 . 1 1 50 50 VAL HA H 1 3.330 0.03 . 1 . . . . 75 VAL HA . 18228 1 507 . 1 1 50 50 VAL HB H 1 1.514 0.03 . 1 . . . . 75 VAL HB . 18228 1 508 . 1 1 50 50 VAL HG11 H 1 0.671 0.03 . 1 . . . . 75 VAL HG1 . 18228 1 509 . 1 1 50 50 VAL HG12 H 1 0.671 0.03 . 1 . . . . 75 VAL HG1 . 18228 1 510 . 1 1 50 50 VAL HG13 H 1 0.671 0.03 . 1 . . . . 75 VAL HG1 . 18228 1 511 . 1 1 50 50 VAL HG21 H 1 0.550 0.03 . 1 . . . . 75 VAL HG2 . 18228 1 512 . 1 1 50 50 VAL HG22 H 1 0.550 0.03 . 1 . . . . 75 VAL HG2 . 18228 1 513 . 1 1 50 50 VAL HG23 H 1 0.550 0.03 . 1 . . . . 75 VAL HG2 . 18228 1 514 . 1 1 50 50 VAL CA C 13 64.364 0.50 . 1 . . . . 75 VAL CA . 18228 1 515 . 1 1 50 50 VAL CB C 13 31.746 0.50 . 1 . . . . 75 VAL CB . 18228 1 516 . 1 1 50 50 VAL CG1 C 13 22.693 0.50 . 1 . . . . 75 VAL CG1 . 18228 1 517 . 1 1 50 50 VAL CG2 C 13 22.693 0.50 . 1 . . . . 75 VAL CG2 . 18228 1 518 . 1 1 50 50 VAL N N 15 115.586 0.25 . 1 . . . . 75 VAL N . 18228 1 519 . 1 1 51 51 LYS H H 1 8.274 0.03 . 1 . . . . 76 LYS H . 18228 1 520 . 1 1 51 51 LYS HA H 1 4.538 0.03 . 1 . . . . 76 LYS HA . 18228 1 521 . 1 1 51 51 LYS HB2 H 1 1.799 0.03 . 2 . . . . 76 LYS HB2 . 18228 1 522 . 1 1 51 51 LYS HB3 H 1 1.799 0.03 . 2 . . . . 76 LYS HB3 . 18228 1 523 . 1 1 51 51 LYS HG2 H 1 1.556 0.03 . 2 . . . . 76 LYS HG2 . 18228 1 524 . 1 1 51 51 LYS HG3 H 1 1.556 0.03 . 2 . . . . 76 LYS HG3 . 18228 1 525 . 1 1 51 51 LYS HD2 H 1 1.585 0.03 . 2 . . . . 76 LYS HD2 . 18228 1 526 . 1 1 51 51 LYS HD3 H 1 1.585 0.03 . 2 . . . . 76 LYS HD3 . 18228 1 527 . 1 1 51 51 LYS HE2 H 1 2.998 0.03 . 2 . . . . 76 LYS HE2 . 18228 1 528 . 1 1 51 51 LYS HE3 H 1 2.998 0.03 . 2 . . . . 76 LYS HE3 . 18228 1 529 . 1 1 51 51 LYS CA C 13 55.931 0.50 . 1 . . . . 76 LYS CA . 18228 1 530 . 1 1 51 51 LYS CB C 13 33.979 0.50 . 1 . . . . 76 LYS CB . 18228 1 531 . 1 1 51 51 LYS CG C 13 23.685 0.50 . 1 . . . . 76 LYS CG . 18228 1 532 . 1 1 51 51 LYS CD C 13 28.646 0.50 . 1 . . . . 76 LYS CD . 18228 1 533 . 1 1 51 51 LYS CE C 13 43.529 0.50 . 1 . . . . 76 LYS CE . 18228 1 534 . 1 1 51 51 LYS N N 15 125.355 0.25 . 1 . . . . 76 LYS N . 18228 1 535 . 1 1 52 52 THR H H 1 7.225 0.03 . 1 . . . . 77 THR H . 18228 1 536 . 1 1 52 52 THR HA H 1 5.035 0.03 . 1 . . . . 77 THR HA . 18228 1 537 . 1 1 52 52 THR HB H 1 3.658 0.03 . 1 . . . . 77 THR HB . 18228 1 538 . 1 1 52 52 THR HG21 H 1 0.863 0.03 . 1 . . . . 77 THR HG2 . 18228 1 539 . 1 1 52 52 THR HG22 H 1 0.863 0.03 . 1 . . . . 77 THR HG2 . 18228 1 540 . 1 1 52 52 THR HG23 H 1 0.863 0.03 . 1 . . . . 77 THR HG2 . 18228 1 541 . 1 1 52 52 THR CA C 13 61.760 0.50 . 1 . . . . 77 THR CA . 18228 1 542 . 1 1 52 52 THR CB C 13 71.434 0.50 . 1 . . . . 77 THR CB . 18228 1 543 . 1 1 52 52 THR CG2 C 13 21.328 0.50 . 1 . . . . 77 THR CG2 . 18228 1 544 . 1 1 52 52 THR N N 15 115.661 0.25 . 1 . . . . 77 THR N . 18228 1 545 . 1 1 53 53 VAL H H 1 9.077 0.03 . 1 . . . . 78 VAL H . 18228 1 546 . 1 1 53 53 VAL HA H 1 4.917 0.03 . 1 . . . . 78 VAL HA . 18228 1 547 . 1 1 53 53 VAL HB H 1 1.762 0.03 . 1 . . . . 78 VAL HB . 18228 1 548 . 1 1 53 53 VAL HG11 H 1 1.004 0.03 . 1 . . . . 78 VAL HG1 . 18228 1 549 . 1 1 53 53 VAL HG12 H 1 1.004 0.03 . 1 . . . . 78 VAL HG1 . 18228 1 550 . 1 1 53 53 VAL HG13 H 1 1.004 0.03 . 1 . . . . 78 VAL HG1 . 18228 1 551 . 1 1 53 53 VAL HG21 H 1 0.802 0.03 . 1 . . . . 78 VAL HG2 . 18228 1 552 . 1 1 53 53 VAL HG22 H 1 0.802 0.03 . 1 . . . . 78 VAL HG2 . 18228 1 553 . 1 1 53 53 VAL HG23 H 1 0.802 0.03 . 1 . . . . 78 VAL HG2 . 18228 1 554 . 1 1 53 53 VAL CA C 13 60.520 0.50 . 1 . . . . 78 VAL CA . 18228 1 555 . 1 1 53 53 VAL CB C 13 33.731 0.50 . 1 . . . . 78 VAL CB . 18228 1 556 . 1 1 53 53 VAL CG1 C 13 22.816 0.50 . 1 . . . . 78 VAL CG1 . 18228 1 557 . 1 1 53 53 VAL CG2 C 13 21.824 0.50 . 1 . . . . 78 VAL CG2 . 18228 1 558 . 1 1 53 53 VAL N N 15 126.214 0.25 . 1 . . . . 78 VAL N . 18228 1 559 . 1 1 54 54 VAL H H 1 9.605 0.03 . 1 . . . . 79 VAL H . 18228 1 560 . 1 1 54 54 VAL HA H 1 4.597 0.03 . 1 . . . . 79 VAL HA . 18228 1 561 . 1 1 54 54 VAL HB H 1 1.388 0.03 . 1 . . . . 79 VAL HB . 18228 1 562 . 1 1 54 54 VAL HG11 H 1 0.156 0.03 . 1 . . . . 79 VAL HG1 . 18228 1 563 . 1 1 54 54 VAL HG12 H 1 0.156 0.03 . 1 . . . . 79 VAL HG1 . 18228 1 564 . 1 1 54 54 VAL HG13 H 1 0.156 0.03 . 1 . . . . 79 VAL HG1 . 18228 1 565 . 1 1 54 54 VAL HG21 H 1 0.485 0.03 . 1 . . . . 79 VAL HG2 . 18228 1 566 . 1 1 54 54 VAL HG22 H 1 0.485 0.03 . 1 . . . . 79 VAL HG2 . 18228 1 567 . 1 1 54 54 VAL HG23 H 1 0.485 0.03 . 1 . . . . 79 VAL HG2 . 18228 1 568 . 1 1 54 54 VAL CA C 13 59.899 0.50 . 1 . . . . 79 VAL CA . 18228 1 569 . 1 1 54 54 VAL CB C 13 33.111 0.50 . 1 . . . . 79 VAL CB . 18228 1 570 . 1 1 54 54 VAL CG1 C 13 21.080 0.50 . 1 . . . . 79 VAL CG1 . 18228 1 571 . 1 1 54 54 VAL CG2 C 13 20.088 0.50 . 1 . . . . 79 VAL CG2 . 18228 1 572 . 1 1 54 54 VAL N N 15 130.201 0.25 . 1 . . . . 79 VAL N . 18228 1 573 . 1 1 55 55 SER HA H 1 4.500 0.03 . 1 . . . . 80 SER HA . 18228 1 574 . 1 1 55 55 SER HB2 H 1 3.659 0.03 . 1 . . . . 80 SER HB2 . 18228 1 575 . 1 1 55 55 SER HB3 H 1 3.627 0.03 . 1 . . . . 80 SER HB3 . 18228 1 576 . 1 1 55 55 SER CA C 13 55.311 0.50 . 1 . . . . 80 SER CA . 18228 1 577 . 1 1 55 55 SER CB C 13 63.868 0.50 . 1 . . . . 80 SER CB . 18228 1 578 . 1 1 57 57 ILE HA H 1 4.880 0.03 . 1 . . . . 82 ILE HA . 18228 1 579 . 1 1 57 57 ILE HB H 1 2.202 0.03 . 1 . . . . 82 ILE HB . 18228 1 580 . 1 1 57 57 ILE HG12 H 1 1.385 0.03 . 2 . . . . 82 ILE HG12 . 18228 1 581 . 1 1 57 57 ILE HG13 H 1 1.385 0.03 . 2 . . . . 82 ILE HG13 . 18228 1 582 . 1 1 57 57 ILE HG21 H 1 0.906 0.03 . 1 . . . . 82 ILE HG2 . 18228 1 583 . 1 1 57 57 ILE HG22 H 1 0.906 0.03 . 1 . . . . 82 ILE HG2 . 18228 1 584 . 1 1 57 57 ILE HG23 H 1 0.906 0.03 . 1 . . . . 82 ILE HG2 . 18228 1 585 . 1 1 57 57 ILE HD11 H 1 0.840 0.03 . 1 . . . . 82 ILE HD1 . 18228 1 586 . 1 1 57 57 ILE HD12 H 1 0.840 0.03 . 1 . . . . 82 ILE HD1 . 18228 1 587 . 1 1 57 57 ILE HD13 H 1 0.840 0.03 . 1 . . . . 82 ILE HD1 . 18228 1 588 . 1 1 57 57 ILE CA C 13 59.899 0.50 . 1 . . . . 82 ILE CA . 18228 1 589 . 1 1 57 57 ILE CB C 13 41.048 0.50 . 1 . . . . 82 ILE CB . 18228 1 590 . 1 1 57 57 ILE CG1 C 13 26.166 0.50 . 1 . . . . 82 ILE CG1 . 18228 1 591 . 1 1 57 57 ILE CG2 C 13 18.724 0.50 . 1 . . . . 82 ILE CG2 . 18228 1 592 . 1 1 57 57 ILE CD1 C 13 13.267 0.50 . 1 . . . . 82 ILE CD1 . 18228 1 593 . 1 1 58 58 LYS HA H 1 3.720 0.03 . 1 . . . . 83 LYS HA . 18228 1 594 . 1 1 58 58 LYS HB2 H 1 1.743 0.03 . 2 . . . . 83 LYS HB2 . 18228 1 595 . 1 1 58 58 LYS HB3 H 1 1.743 0.03 . 2 . . . . 83 LYS HB3 . 18228 1 596 . 1 1 58 58 LYS HG2 H 1 1.346 0.03 . 2 . . . . 83 LYS HG2 . 18228 1 597 . 1 1 58 58 LYS HG3 H 1 1.346 0.03 . 2 . . . . 83 LYS HG3 . 18228 1 598 . 1 1 58 58 LYS HD2 H 1 1.613 0.03 . 2 . . . . 83 LYS HD2 . 18228 1 599 . 1 1 58 58 LYS HD3 H 1 1.613 0.03 . 2 . . . . 83 LYS HD3 . 18228 1 600 . 1 1 58 58 LYS HE2 H 1 2.911 0.03 . 2 . . . . 83 LYS HE2 . 18228 1 601 . 1 1 58 58 LYS HE3 H 1 2.911 0.03 . 2 . . . . 83 LYS HE3 . 18228 1 602 . 1 1 58 58 LYS CA C 13 57.915 0.50 . 1 . . . . 83 LYS CA . 18228 1 603 . 1 1 58 58 LYS CB C 13 32.738 0.50 . 1 . . . . 83 LYS CB . 18228 1 604 . 1 1 58 58 LYS CG C 13 25.173 0.50 . 1 . . . . 83 LYS CG . 18228 1 605 . 1 1 58 58 LYS CD C 13 29.142 0.50 . 1 . . . . 83 LYS CD . 18228 1 606 . 1 1 58 58 LYS CE C 13 42.040 0.50 . 1 . . . . 83 LYS CE . 18228 1 607 . 1 1 59 59 ASP H H 1 8.141 0.03 . 1 . . . . 84 ASP H . 18228 1 608 . 1 1 59 59 ASP HA H 1 4.100 0.03 . 1 . . . . 84 ASP HA . 18228 1 609 . 1 1 59 59 ASP HB2 H 1 2.481 0.03 . 2 . . . . 84 ASP HB2 . 18228 1 610 . 1 1 59 59 ASP HB3 H 1 2.481 0.03 . 2 . . . . 84 ASP HB3 . 18228 1 611 . 1 1 59 59 ASP CA C 13 54.815 0.50 . 1 . . . . 84 ASP CA . 18228 1 612 . 1 1 59 59 ASP CB C 13 39.684 0.50 . 1 . . . . 84 ASP CB . 18228 1 613 . 1 1 59 59 ASP N N 15 118.262 0.25 . 1 . . . . 84 ASP N . 18228 1 614 . 1 1 60 60 ASP H H 1 8.725 0.03 . 1 . . . . 85 ASP H . 18228 1 615 . 1 1 60 60 ASP HA H 1 4.477 0.03 . 1 . . . . 85 ASP HA . 18228 1 616 . 1 1 60 60 ASP HB2 H 1 2.878 0.03 . 1 . . . . 85 ASP HB2 . 18228 1 617 . 1 1 60 60 ASP HB3 H 1 2.619 0.03 . 1 . . . . 85 ASP HB3 . 18228 1 618 . 1 1 60 60 ASP CA C 13 53.450 0.50 . 1 . . . . 85 ASP CA . 18228 1 619 . 1 1 60 60 ASP CB C 13 41.668 0.50 . 1 . . . . 85 ASP CB . 18228 1 620 . 1 1 60 60 ASP N N 15 123.616 0.25 . 1 . . . . 85 ASP N . 18228 1 621 . 1 1 61 61 ASP H H 1 9.124 0.03 . 1 . . . . 86 ASP H . 18228 1 622 . 1 1 61 61 ASP HA H 1 4.487 0.03 . 1 . . . . 86 ASP HA . 18228 1 623 . 1 1 61 61 ASP HB2 H 1 2.314 0.03 . 1 . . . . 86 ASP HB2 . 18228 1 624 . 1 1 61 61 ASP HB3 H 1 2.066 0.03 . 1 . . . . 86 ASP HB3 . 18228 1 625 . 1 1 61 61 ASP CA C 13 56.427 0.50 . 1 . . . . 86 ASP CA . 18228 1 626 . 1 1 61 61 ASP CB C 13 39.064 0.50 . 1 . . . . 86 ASP CB . 18228 1 627 . 1 1 61 61 ASP N N 15 129.411 0.25 . 1 . . . . 86 ASP N . 18228 1 628 . 1 1 62 62 ARG H H 1 8.488 0.03 . 1 . . . . 87 ARG H . 18228 1 629 . 1 1 62 62 ARG HA H 1 3.506 0.03 . 1 . . . . 87 ARG HA . 18228 1 630 . 1 1 62 62 ARG HB2 H 1 1.830 0.03 . 1 . . . . 87 ARG HB2 . 18228 1 631 . 1 1 62 62 ARG HB3 H 1 1.661 0.03 . 1 . . . . 87 ARG HB3 . 18228 1 632 . 1 1 62 62 ARG HG2 H 1 1.437 0.03 . 2 . . . . 87 ARG HG2 . 18228 1 633 . 1 1 62 62 ARG HG3 H 1 1.437 0.03 . 2 . . . . 87 ARG HG3 . 18228 1 634 . 1 1 62 62 ARG HD2 H 1 3.066 0.03 . 2 . . . . 87 ARG HD2 . 18228 1 635 . 1 1 62 62 ARG HD3 H 1 3.066 0.03 . 2 . . . . 87 ARG HD3 . 18228 1 636 . 1 1 62 62 ARG CA C 13 58.536 0.50 . 1 . . . . 87 ARG CA . 18228 1 637 . 1 1 62 62 ARG CB C 13 28.273 0.50 . 1 . . . . 87 ARG CB . 18228 1 638 . 1 1 62 62 ARG CG C 13 27.281 0.50 . 1 . . . . 87 ARG CG . 18228 1 639 . 1 1 62 62 ARG CD C 13 43.032 0.50 . 1 . . . . 87 ARG CD . 18228 1 640 . 1 1 62 62 ARG N N 15 118.801 0.25 . 1 . . . . 87 ARG N . 18228 1 641 . 1 1 63 63 ALA H H 1 7.320 0.03 . 1 . . . . 88 ALA H . 18228 1 642 . 1 1 63 63 ALA HA H 1 3.972 0.03 . 1 . . . . 88 ALA HA . 18228 1 643 . 1 1 63 63 ALA HB1 H 1 1.435 0.03 . 1 . . . . 88 ALA HB . 18228 1 644 . 1 1 63 63 ALA HB2 H 1 1.435 0.03 . 1 . . . . 88 ALA HB . 18228 1 645 . 1 1 63 63 ALA HB3 H 1 1.435 0.03 . 1 . . . . 88 ALA HB . 18228 1 646 . 1 1 63 63 ALA CA C 13 55.063 0.50 . 1 . . . . 88 ALA CA . 18228 1 647 . 1 1 63 63 ALA CB C 13 18.599 0.50 . 1 . . . . 88 ALA CB . 18228 1 648 . 1 1 63 63 ALA N N 15 120.250 0.25 . 1 . . . . 88 ALA N . 18228 1 649 . 1 1 64 64 TRP H H 1 6.630 0.03 . 1 . . . . 89 TRP H . 18228 1 650 . 1 1 64 64 TRP HA H 1 4.766 0.03 . 1 . . . . 89 TRP HA . 18228 1 651 . 1 1 64 64 TRP HB2 H 1 3.039 0.03 . 1 . . . . 89 TRP HB2 . 18228 1 652 . 1 1 64 64 TRP HB3 H 1 2.875 0.03 . 1 . . . . 89 TRP HB3 . 18228 1 653 . 1 1 64 64 TRP HD1 H 1 6.563 0.03 . 1 . . . . 89 TRP HD1 . 18228 1 654 . 1 1 64 64 TRP HE1 H 1 10.168 0.03 . 1 . . . . 89 TRP HE1 . 18228 1 655 . 1 1 64 64 TRP HE3 H 1 6.889 0.03 . 1 . . . . 89 TRP HE3 . 18228 1 656 . 1 1 64 64 TRP HZ2 H 1 7.132 0.03 . 1 . . . . 89 TRP HZ2 . 18228 1 657 . 1 1 64 64 TRP HZ3 H 1 6.391 0.03 . 1 . . . . 89 TRP HZ3 . 18228 1 658 . 1 1 64 64 TRP HH2 H 1 6.433 0.03 . 1 . . . . 89 TRP HH2 . 18228 1 659 . 1 1 64 64 TRP CA C 13 55.807 0.50 . 1 . . . . 89 TRP CA . 18228 1 660 . 1 1 64 64 TRP CB C 13 29.638 0.50 . 1 . . . . 89 TRP CB . 18228 1 661 . 1 1 64 64 TRP N N 15 110.977 0.25 . 1 . . . . 89 TRP N . 18228 1 662 . 1 1 64 64 TRP NE1 N 15 132.335 0.25 . 1 . . . . 89 TRP NE1 . 18228 1 663 . 1 1 65 65 LEU H H 1 6.876 0.03 . 1 . . . . 90 LEU H . 18228 1 664 . 1 1 65 65 LEU HA H 1 3.467 0.03 . 1 . . . . 90 LEU HA . 18228 1 665 . 1 1 65 65 LEU HB2 H 1 0.816 0.03 . 1 . . . . 90 LEU HB2 . 18228 1 666 . 1 1 65 65 LEU HB3 H 1 0.628 0.03 . 1 . . . . 90 LEU HB3 . 18228 1 667 . 1 1 65 65 LEU HG H 1 0.197 0.03 . 1 . . . . 90 LEU HG . 18228 1 668 . 1 1 65 65 LEU HD11 H 1 -0.053 0.03 . 1 . . . . 90 LEU HD1 . 18228 1 669 . 1 1 65 65 LEU HD12 H 1 -0.053 0.03 . 1 . . . . 90 LEU HD1 . 18228 1 670 . 1 1 65 65 LEU HD13 H 1 -0.053 0.03 . 1 . . . . 90 LEU HD1 . 18228 1 671 . 1 1 65 65 LEU HD21 H 1 -0.524 0.03 . 1 . . . . 90 LEU HD2 . 18228 1 672 . 1 1 65 65 LEU HD22 H 1 -0.524 0.03 . 1 . . . . 90 LEU HD2 . 18228 1 673 . 1 1 65 65 LEU HD23 H 1 -0.524 0.03 . 1 . . . . 90 LEU HD2 . 18228 1 674 . 1 1 65 65 LEU CA C 13 56.303 0.50 . 1 . . . . 90 LEU CA . 18228 1 675 . 1 1 65 65 LEU CB C 13 43.653 0.50 . 1 . . . . 90 LEU CB . 18228 1 676 . 1 1 65 65 LEU CG C 13 24.677 0.50 . 1 . . . . 90 LEU CG . 18228 1 677 . 1 1 65 65 LEU CD1 C 13 25.670 0.50 . 1 . . . . 90 LEU CD1 . 18228 1 678 . 1 1 65 65 LEU CD2 C 13 25.173 0.50 . 1 . . . . 90 LEU CD2 . 18228 1 679 . 1 1 65 65 LEU N N 15 123.553 0.25 . 1 . . . . 90 LEU N . 18228 1 680 . 1 1 66 66 GLY H H 1 7.595 0.03 . 1 . . . . 91 GLY H . 18228 1 681 . 1 1 66 66 GLY HA2 H 1 3.679 0.03 . 1 . . . . 91 GLY HA2 . 18228 1 682 . 1 1 66 66 GLY HA3 H 1 3.580 0.03 . 1 . . . . 91 GLY HA3 . 18228 1 683 . 1 1 66 66 GLY CA C 13 46.629 0.50 . 1 . . . . 91 GLY CA . 18228 1 684 . 1 1 66 66 GLY N N 15 106.465 0.25 . 1 . . . . 91 GLY N . 18228 1 685 . 1 1 67 67 GLN HA H 1 4.212 0.03 . 1 . . . . 92 GLN HA . 18228 1 686 . 1 1 67 67 GLN HB2 H 1 2.234 0.03 . 1 . . . . 92 GLN HB2 . 18228 1 687 . 1 1 67 67 GLN HB3 H 1 1.741 0.03 . 1 . . . . 92 GLN HB3 . 18228 1 688 . 1 1 67 67 GLN HG2 H 1 2.234 0.03 . 2 . . . . 92 GLN HG2 . 18228 1 689 . 1 1 67 67 GLN HG3 H 1 2.234 0.03 . 2 . . . . 92 GLN HG3 . 18228 1 690 . 1 1 67 67 GLN CA C 13 54.442 0.50 . 1 . . . . 92 GLN CA . 18228 1 691 . 1 1 67 67 GLN CB C 13 27.777 0.50 . 1 . . . . 92 GLN CB . 18228 1 692 . 1 1 67 67 GLN CG C 13 33.979 0.50 . 1 . . . . 92 GLN CG . 18228 1 693 . 1 1 68 68 ALA H H 1 7.375 0.03 . 1 . . . . 93 ALA H . 18228 1 694 . 1 1 68 68 ALA HA H 1 3.861 0.03 . 1 . . . . 93 ALA HA . 18228 1 695 . 1 1 68 68 ALA HB1 H 1 1.382 0.03 . 1 . . . . 93 ALA HB . 18228 1 696 . 1 1 68 68 ALA HB2 H 1 1.382 0.03 . 1 . . . . 93 ALA HB . 18228 1 697 . 1 1 68 68 ALA HB3 H 1 1.382 0.03 . 1 . . . . 93 ALA HB . 18228 1 698 . 1 1 68 68 ALA CA C 13 51.962 0.50 . 1 . . . . 93 ALA CA . 18228 1 699 . 1 1 68 68 ALA CB C 13 17.732 0.50 . 1 . . . . 93 ALA CB . 18228 1 700 . 1 1 68 68 ALA N N 15 124.140 0.25 . 1 . . . . 93 ALA N . 18228 1 701 . 1 1 69 69 PRO HA H 1 4.642 0.03 . 1 . . . . 94 PRO HA . 18228 1 702 . 1 1 69 69 PRO HB2 H 1 1.733 0.03 . 2 . . . . 94 PRO HB2 . 18228 1 703 . 1 1 69 69 PRO HB3 H 1 1.733 0.03 . 2 . . . . 94 PRO HB3 . 18228 1 704 . 1 1 69 69 PRO HG2 H 1 2.221 0.03 . 2 . . . . 94 PRO HG2 . 18228 1 705 . 1 1 69 69 PRO HG3 H 1 2.221 0.03 . 2 . . . . 94 PRO HG3 . 18228 1 706 . 1 1 69 69 PRO HD2 H 1 4.236 0.03 . 2 . . . . 94 PRO HD2 . 18228 1 707 . 1 1 69 69 PRO HD3 H 1 4.236 0.03 . 2 . . . . 94 PRO HD3 . 18228 1 708 . 1 1 69 69 PRO CA C 13 62.753 0.50 . 1 . . . . 94 PRO CA . 18228 1 709 . 1 1 69 69 PRO CB C 13 28.025 0.50 . 1 . . . . 94 PRO CB . 18228 1 710 . 1 1 69 69 PRO CG C 13 28.025 0.50 . 1 . . . . 94 PRO CG . 18228 1 711 . 1 1 69 69 PRO CD C 13 52.334 0.50 . 1 . . . . 94 PRO CD . 18228 1 712 . 1 1 70 70 VAL H H 1 7.931 0.03 . 1 . . . . 95 VAL H . 18228 1 713 . 1 1 70 70 VAL HA H 1 4.042 0.03 . 1 . . . . 95 VAL HA . 18228 1 714 . 1 1 70 70 VAL HB H 1 1.426 0.03 . 1 . . . . 95 VAL HB . 18228 1 715 . 1 1 70 70 VAL HG11 H 1 0.479 0.03 . 1 . . . . 95 VAL HG1 . 18228 1 716 . 1 1 70 70 VAL HG12 H 1 0.479 0.03 . 1 . . . . 95 VAL HG1 . 18228 1 717 . 1 1 70 70 VAL HG13 H 1 0.479 0.03 . 1 . . . . 95 VAL HG1 . 18228 1 718 . 1 1 70 70 VAL HG21 H 1 0.465 0.03 . 1 . . . . 95 VAL HG2 . 18228 1 719 . 1 1 70 70 VAL HG22 H 1 0.465 0.03 . 1 . . . . 95 VAL HG2 . 18228 1 720 . 1 1 70 70 VAL HG23 H 1 0.465 0.03 . 1 . . . . 95 VAL HG2 . 18228 1 721 . 1 1 70 70 VAL CA C 13 59.776 0.50 . 1 . . . . 95 VAL CA . 18228 1 722 . 1 1 70 70 VAL CB C 13 35.219 0.50 . 1 . . . . 95 VAL CB . 18228 1 723 . 1 1 70 70 VAL CG1 C 13 21.701 0.50 . 1 . . . . 95 VAL CG1 . 18228 1 724 . 1 1 70 70 VAL CG2 C 13 21.019 0.50 . 1 . . . . 95 VAL CG2 . 18228 1 725 . 1 1 70 70 VAL N N 15 122.985 0.25 . 1 . . . . 95 VAL N . 18228 1 726 . 1 1 71 71 ARG H H 1 8.299 0.03 . 1 . . . . 96 ARG H . 18228 1 727 . 1 1 71 71 ARG HA H 1 4.227 0.03 . 1 . . . . 96 ARG HA . 18228 1 728 . 1 1 71 71 ARG HB2 H 1 1.770 0.03 . 2 . . . . 96 ARG HB2 . 18228 1 729 . 1 1 71 71 ARG HB3 H 1 1.770 0.03 . 2 . . . . 96 ARG HB3 . 18228 1 730 . 1 1 71 71 ARG HG2 H 1 1.551 0.03 . 2 . . . . 96 ARG HG2 . 18228 1 731 . 1 1 71 71 ARG HG3 H 1 1.551 0.03 . 2 . . . . 96 ARG HG3 . 18228 1 732 . 1 1 71 71 ARG HD2 H 1 3.102 0.03 . 2 . . . . 96 ARG HD2 . 18228 1 733 . 1 1 71 71 ARG HD3 H 1 3.102 0.03 . 2 . . . . 96 ARG HD3 . 18228 1 734 . 1 1 71 71 ARG CA C 13 55.931 0.50 . 1 . . . . 96 ARG CA . 18228 1 735 . 1 1 71 71 ARG CB C 13 31.126 0.50 . 1 . . . . 96 ARG CB . 18228 1 736 . 1 1 71 71 ARG CG C 13 28.150 0.50 . 1 . . . . 96 ARG CG . 18228 1 737 . 1 1 71 71 ARG CD C 13 43.653 0.50 . 1 . . . . 96 ARG CD . 18228 1 738 . 1 1 71 71 ARG N N 15 126.087 0.25 . 1 . . . . 96 ARG N . 18228 1 739 . 1 1 72 72 VAL H H 1 8.281 0.03 . 1 . . . . 97 VAL H . 18228 1 740 . 1 1 72 72 VAL HA H 1 4.477 0.03 . 1 . . . . 97 VAL HA . 18228 1 741 . 1 1 72 72 VAL HB H 1 1.823 0.03 . 1 . . . . 97 VAL HB . 18228 1 742 . 1 1 72 72 VAL HG11 H 1 0.719 0.03 . 1 . . . . 97 VAL HG1 . 18228 1 743 . 1 1 72 72 VAL HG12 H 1 0.719 0.03 . 1 . . . . 97 VAL HG1 . 18228 1 744 . 1 1 72 72 VAL HG13 H 1 0.719 0.03 . 1 . . . . 97 VAL HG1 . 18228 1 745 . 1 1 72 72 VAL HG21 H 1 0.594 0.03 . 1 . . . . 97 VAL HG2 . 18228 1 746 . 1 1 72 72 VAL HG22 H 1 0.594 0.03 . 1 . . . . 97 VAL HG2 . 18228 1 747 . 1 1 72 72 VAL HG23 H 1 0.594 0.03 . 1 . . . . 97 VAL HG2 . 18228 1 748 . 1 1 72 72 VAL CA C 13 61.512 0.50 . 1 . . . . 97 VAL CA . 18228 1 749 . 1 1 72 72 VAL CB C 13 33.482 0.50 . 1 . . . . 97 VAL CB . 18228 1 750 . 1 1 72 72 VAL CG1 C 13 21.824 0.50 . 1 . . . . 97 VAL CG1 . 18228 1 751 . 1 1 72 72 VAL CG2 C 13 21.576 0.50 . 1 . . . . 97 VAL CG2 . 18228 1 752 . 1 1 72 72 VAL N N 15 124.533 0.25 . 1 . . . . 97 VAL N . 18228 1 753 . 1 1 73 73 VAL H H 1 8.685 0.03 . 1 . . . . 98 VAL H . 18228 1 754 . 1 1 73 73 VAL HA H 1 4.047 0.03 . 1 . . . . 98 VAL HA . 18228 1 755 . 1 1 73 73 VAL HB H 1 1.720 0.03 . 1 . . . . 98 VAL HB . 18228 1 756 . 1 1 73 73 VAL HG11 H 1 0.703 0.03 . 1 . . . . 98 VAL HG1 . 18228 1 757 . 1 1 73 73 VAL HG12 H 1 0.703 0.03 . 1 . . . . 98 VAL HG1 . 18228 1 758 . 1 1 73 73 VAL HG13 H 1 0.703 0.03 . 1 . . . . 98 VAL HG1 . 18228 1 759 . 1 1 73 73 VAL HG21 H 1 0.615 0.03 . 1 . . . . 98 VAL HG2 . 18228 1 760 . 1 1 73 73 VAL HG22 H 1 0.615 0.03 . 1 . . . . 98 VAL HG2 . 18228 1 761 . 1 1 73 73 VAL HG23 H 1 0.615 0.03 . 1 . . . . 98 VAL HG2 . 18228 1 762 . 1 1 73 73 VAL CA C 13 61.512 0.50 . 1 . . . . 98 VAL CA . 18228 1 763 . 1 1 73 73 VAL CB C 13 33.979 0.50 . 1 . . . . 98 VAL CB . 18228 1 764 . 1 1 73 73 VAL CG1 C 13 20.336 0.50 . 1 . . . . 98 VAL CG1 . 18228 1 765 . 1 1 73 73 VAL CG2 C 13 19.840 0.50 . 1 . . . . 98 VAL CG2 . 18228 1 766 . 1 1 73 73 VAL N N 15 128.682 0.25 . 1 . . . . 98 VAL N . 18228 1 767 . 1 1 74 74 SER H H 1 8.645 0.03 . 1 . . . . 99 SER H . 18228 1 768 . 1 1 74 74 SER HA H 1 4.700 0.03 . 1 . . . . 99 SER HA . 18228 1 769 . 1 1 74 74 SER HB2 H 1 3.637 0.03 . 1 . . . . 99 SER HB2 . 18228 1 770 . 1 1 74 74 SER HB3 H 1 3.518 0.03 . 1 . . . . 99 SER HB3 . 18228 1 771 . 1 1 74 74 SER CA C 13 57.047 0.50 . 1 . . . . 99 SER CA . 18228 1 772 . 1 1 74 74 SER CB C 13 63.497 0.50 . 1 . . . . 99 SER CB . 18228 1 773 . 1 1 74 74 SER N N 15 122.791 0.25 . 1 . . . . 99 SER N . 18228 1 774 . 1 1 75 75 LEU H H 1 8.984 0.03 . 1 . . . . 100 LEU H . 18228 1 775 . 1 1 75 75 LEU HA H 1 4.697 0.03 . 1 . . . . 100 LEU HA . 18228 1 776 . 1 1 75 75 LEU HB2 H 1 1.488 0.03 . 1 . . . . 100 LEU HB2 . 18228 1 777 . 1 1 75 75 LEU HB3 H 1 1.370 0.03 . 1 . . . . 100 LEU HB3 . 18228 1 778 . 1 1 75 75 LEU HG H 1 1.181 0.03 . 1 . . . . 100 LEU HG . 18228 1 779 . 1 1 75 75 LEU HD11 H 1 0.601 0.03 . 1 . . . . 100 LEU HD1 . 18228 1 780 . 1 1 75 75 LEU HD12 H 1 0.601 0.03 . 1 . . . . 100 LEU HD1 . 18228 1 781 . 1 1 75 75 LEU HD13 H 1 0.601 0.03 . 1 . . . . 100 LEU HD1 . 18228 1 782 . 1 1 75 75 LEU HD21 H 1 0.733 0.03 . 1 . . . . 100 LEU HD2 . 18228 1 783 . 1 1 75 75 LEU HD22 H 1 0.733 0.03 . 1 . . . . 100 LEU HD2 . 18228 1 784 . 1 1 75 75 LEU HD23 H 1 0.733 0.03 . 1 . . . . 100 LEU HD2 . 18228 1 785 . 1 1 75 75 LEU CA C 13 52.086 0.50 . 1 . . . . 100 LEU CA . 18228 1 786 . 1 1 75 75 LEU CB C 13 42.536 0.50 . 1 . . . . 100 LEU CB . 18228 1 787 . 1 1 75 75 LEU CG C 13 26.166 0.50 . 1 . . . . 100 LEU CG . 18228 1 788 . 1 1 75 75 LEU CD1 C 13 25.793 0.50 . 1 . . . . 100 LEU CD1 . 18228 1 789 . 1 1 75 75 LEU CD2 C 13 23.189 0.50 . 1 . . . . 100 LEU CD2 . 18228 1 790 . 1 1 75 75 LEU N N 15 129.974 0.25 . 1 . . . . 100 LEU N . 18228 1 791 . 1 1 76 76 PRO HA H 1 3.879 0.03 . 1 . . . . 101 PRO HA . 18228 1 792 . 1 1 76 76 PRO HB2 H 1 1.763 0.03 . 1 . . . . 101 PRO HB2 . 18228 1 793 . 1 1 76 76 PRO HB3 H 1 1.459 0.03 . 1 . . . . 101 PRO HB3 . 18228 1 794 . 1 1 76 76 PRO HD2 H 1 3.311 0.03 . 2 . . . . 101 PRO HD2 . 18228 1 795 . 1 1 76 76 PRO HD3 H 1 3.311 0.03 . 2 . . . . 101 PRO HD3 . 18228 1 796 . 1 1 76 76 PRO CA C 13 62.876 0.50 . 1 . . . . 101 PRO CA . 18228 1 797 . 1 1 76 76 PRO CB C 13 31.623 0.50 . 1 . . . . 101 PRO CB . 18228 1 798 . 1 1 76 76 PRO CD C 13 49.978 0.50 . 1 . . . . 101 PRO CD . 18228 1 799 . 1 1 77 77 THR H H 1 7.850 0.03 . 1 . . . . 102 THR H . 18228 1 800 . 1 1 77 77 THR HA H 1 4.429 0.03 . 1 . . . . 102 THR HA . 18228 1 801 . 1 1 77 77 THR HB H 1 4.016 0.03 . 1 . . . . 102 THR HB . 18228 1 802 . 1 1 77 77 THR HG21 H 1 1.117 0.03 . 1 . . . . 102 THR HG2 . 18228 1 803 . 1 1 77 77 THR HG22 H 1 1.117 0.03 . 1 . . . . 102 THR HG2 . 18228 1 804 . 1 1 77 77 THR HG23 H 1 1.117 0.03 . 1 . . . . 102 THR HG2 . 18228 1 805 . 1 1 77 77 THR CA C 13 60.520 0.50 . 1 . . . . 102 THR CA . 18228 1 806 . 1 1 77 77 THR CB C 13 69.202 0.50 . 1 . . . . 102 THR CB . 18228 1 807 . 1 1 77 77 THR CG2 C 13 20.336 0.50 . 1 . . . . 102 THR CG2 . 18228 1 808 . 1 1 77 77 THR N N 15 115.343 0.25 . 1 . . . . 102 THR N . 18228 1 809 . 1 1 78 78 HIS H H 1 8.689 0.03 . 1 . . . . 103 HIS H . 18228 1 810 . 1 1 78 78 HIS HA H 1 4.613 0.03 . 1 . . . . 103 HIS HA . 18228 1 811 . 1 1 78 78 HIS HB2 H 1 3.119 0.03 . 1 . . . . 103 HIS HB2 . 18228 1 812 . 1 1 78 78 HIS HB3 H 1 2.806 0.03 . 1 . . . . 103 HIS HB3 . 18228 1 813 . 1 1 78 78 HIS CA C 13 56.427 0.50 . 1 . . . . 103 HIS CA . 18228 1 814 . 1 1 78 78 HIS CB C 13 31.623 0.50 . 1 . . . . 103 HIS CB . 18228 1 815 . 1 1 78 78 HIS N N 15 123.830 0.25 . 1 . . . . 103 HIS N . 18228 1 816 . 1 1 79 79 ALA HA H 1 4.057 0.03 . 1 . . . . 104 ALA HA . 18228 1 817 . 1 1 79 79 ALA HB1 H 1 1.307 0.03 . 1 . . . . 104 ALA HB . 18228 1 818 . 1 1 79 79 ALA HB2 H 1 1.307 0.03 . 1 . . . . 104 ALA HB . 18228 1 819 . 1 1 79 79 ALA HB3 H 1 1.307 0.03 . 1 . . . . 104 ALA HB . 18228 1 820 . 1 1 79 79 ALA CA C 13 52.954 0.50 . 1 . . . . 104 ALA CA . 18228 1 821 . 1 1 79 79 ALA CB C 13 19.220 0.50 . 1 . . . . 104 ALA CB . 18228 1 822 . 1 1 80 80 ASP H H 1 8.631 0.03 . 1 . . . . 105 ASP H . 18228 1 823 . 1 1 80 80 ASP HA H 1 4.308 0.03 . 1 . . . . 105 ASP HA . 18228 1 824 . 1 1 80 80 ASP HB2 H 1 2.597 0.03 . 2 . . . . 105 ASP HB2 . 18228 1 825 . 1 1 80 80 ASP HB3 H 1 2.597 0.03 . 2 . . . . 105 ASP HB3 . 18228 1 826 . 1 1 80 80 ASP CA C 13 55.063 0.50 . 1 . . . . 105 ASP CA . 18228 1 827 . 1 1 80 80 ASP CB C 13 39.932 0.50 . 1 . . . . 105 ASP CB . 18228 1 828 . 1 1 80 80 ASP N N 15 114.540 0.25 . 1 . . . . 105 ASP N . 18228 1 829 . 1 1 81 81 ARG H H 1 7.504 0.03 . 1 . . . . 106 ARG H . 18228 1 830 . 1 1 81 81 ARG HA H 1 4.430 0.03 . 1 . . . . 106 ARG HA . 18228 1 831 . 1 1 81 81 ARG HB2 H 1 1.775 0.03 . 1 . . . . 106 ARG HB2 . 18228 1 832 . 1 1 81 81 ARG HB3 H 1 1.585 0.03 . 1 . . . . 106 ARG HB3 . 18228 1 833 . 1 1 81 81 ARG HG2 H 1 1.486 0.03 . 2 . . . . 106 ARG HG2 . 18228 1 834 . 1 1 81 81 ARG HG3 H 1 1.486 0.03 . 2 . . . . 106 ARG HG3 . 18228 1 835 . 1 1 81 81 ARG HD2 H 1 3.042 0.03 . 2 . . . . 106 ARG HD2 . 18228 1 836 . 1 1 81 81 ARG HD3 H 1 3.042 0.03 . 2 . . . . 106 ARG HD3 . 18228 1 837 . 1 1 81 81 ARG CA C 13 54.442 0.50 . 1 . . . . 106 ARG CA . 18228 1 838 . 1 1 81 81 ARG CB C 13 31.623 0.50 . 1 . . . . 106 ARG CB . 18228 1 839 . 1 1 81 81 ARG CG C 13 26.289 0.50 . 1 . . . . 106 ARG CG . 18228 1 840 . 1 1 81 81 ARG CD C 13 43.405 0.50 . 1 . . . . 106 ARG CD . 18228 1 841 . 1 1 81 81 ARG N N 15 117.273 0.25 . 1 . . . . 106 ARG N . 18228 1 842 . 1 1 82 82 VAL H H 1 7.515 0.03 . 1 . . . . 107 VAL H . 18228 1 843 . 1 1 82 82 VAL HA H 1 3.832 0.03 . 1 . . . . 107 VAL HA . 18228 1 844 . 1 1 82 82 VAL HB H 1 1.384 0.03 . 1 . . . . 107 VAL HB . 18228 1 845 . 1 1 82 82 VAL HG11 H 1 0.580 0.03 . 1 . . . . 107 VAL HG1 . 18228 1 846 . 1 1 82 82 VAL HG12 H 1 0.580 0.03 . 1 . . . . 107 VAL HG1 . 18228 1 847 . 1 1 82 82 VAL HG13 H 1 0.580 0.03 . 1 . . . . 107 VAL HG1 . 18228 1 848 . 1 1 82 82 VAL HG21 H 1 0.209 0.03 . 1 . . . . 107 VAL HG2 . 18228 1 849 . 1 1 82 82 VAL HG22 H 1 0.209 0.03 . 1 . . . . 107 VAL HG2 . 18228 1 850 . 1 1 82 82 VAL HG23 H 1 0.209 0.03 . 1 . . . . 107 VAL HG2 . 18228 1 851 . 1 1 82 82 VAL CA C 13 63.001 0.50 . 1 . . . . 107 VAL CA . 18228 1 852 . 1 1 82 82 VAL CB C 13 31.994 0.50 . 1 . . . . 107 VAL CB . 18228 1 853 . 1 1 82 82 VAL CG1 C 13 22.072 0.50 . 1 . . . . 107 VAL CG1 . 18228 1 854 . 1 1 82 82 VAL CG2 C 13 21.576 0.50 . 1 . . . . 107 VAL CG2 . 18228 1 855 . 1 1 82 82 VAL N N 15 122.894 0.25 . 1 . . . . 107 VAL N . 18228 1 856 . 1 1 83 83 ASP H H 1 7.377 0.03 . 1 . . . . 108 ASP H . 18228 1 857 . 1 1 83 83 ASP HA H 1 4.883 0.03 . 1 . . . . 108 ASP HA . 18228 1 858 . 1 1 83 83 ASP HB2 H 1 3.021 0.03 . 1 . . . . 108 ASP HB2 . 18228 1 859 . 1 1 83 83 ASP HB3 H 1 2.658 0.03 . 1 . . . . 108 ASP HB3 . 18228 1 860 . 1 1 83 83 ASP CA C 13 51.590 0.50 . 1 . . . . 108 ASP CA . 18228 1 861 . 1 1 83 83 ASP CB C 13 43.405 0.50 . 1 . . . . 108 ASP CB . 18228 1 862 . 1 1 83 83 ASP N N 15 123.993 0.25 . 1 . . . . 108 ASP N . 18228 1 863 . 1 1 84 84 ASP H H 1 8.414 0.03 . 1 . . . . 109 ASP H . 18228 1 864 . 1 1 84 84 ASP HA H 1 4.314 0.03 . 1 . . . . 109 ASP HA . 18228 1 865 . 1 1 84 84 ASP HB2 H 1 2.582 0.03 . 2 . . . . 109 ASP HB2 . 18228 1 866 . 1 1 84 84 ASP HB3 H 1 2.582 0.03 . 2 . . . . 109 ASP HB3 . 18228 1 867 . 1 1 84 84 ASP CA C 13 57.544 0.50 . 1 . . . . 109 ASP CA . 18228 1 868 . 1 1 84 84 ASP CB C 13 40.428 0.50 . 1 . . . . 109 ASP CB . 18228 1 869 . 1 1 84 84 ASP N N 15 119.415 0.25 . 1 . . . . 109 ASP N . 18228 1 870 . 1 1 85 85 ALA H H 1 8.067 0.03 . 1 . . . . 110 ALA H . 18228 1 871 . 1 1 85 85 ALA HA H 1 3.973 0.03 . 1 . . . . 110 ALA HA . 18228 1 872 . 1 1 85 85 ALA HB1 H 1 1.398 0.03 . 1 . . . . 110 ALA HB . 18228 1 873 . 1 1 85 85 ALA HB2 H 1 1.398 0.03 . 1 . . . . 110 ALA HB . 18228 1 874 . 1 1 85 85 ALA HB3 H 1 1.398 0.03 . 1 . . . . 110 ALA HB . 18228 1 875 . 1 1 85 85 ALA CA C 13 54.938 0.50 . 1 . . . . 110 ALA CA . 18228 1 876 . 1 1 85 85 ALA CB C 13 18.228 0.50 . 1 . . . . 110 ALA CB . 18228 1 877 . 1 1 85 85 ALA N N 15 119.892 0.25 . 1 . . . . 110 ALA N . 18228 1 878 . 1 1 86 86 GLU H H 1 8.090 0.03 . 1 . . . . 111 GLU H . 18228 1 879 . 1 1 86 86 GLU HA H 1 4.005 0.03 . 1 . . . . 111 GLU HA . 18228 1 880 . 1 1 86 86 GLU HB2 H 1 2.205 0.03 . 1 . . . . 111 GLU HB2 . 18228 1 881 . 1 1 86 86 GLU HB3 H 1 2.118 0.03 . 1 . . . . 111 GLU HB3 . 18228 1 882 . 1 1 86 86 GLU HG2 H 1 2.432 0.03 . 2 . . . . 111 GLU HG2 . 18228 1 883 . 1 1 86 86 GLU HG3 H 1 2.432 0.03 . 2 . . . . 111 GLU HG3 . 18228 1 884 . 1 1 86 86 GLU CA C 13 59.403 0.50 . 1 . . . . 111 GLU CA . 18228 1 885 . 1 1 86 86 GLU CB C 13 30.010 0.50 . 1 . . . . 111 GLU CB . 18228 1 886 . 1 1 86 86 GLU CG C 13 37.079 0.50 . 1 . . . . 111 GLU CG . 18228 1 887 . 1 1 86 86 GLU N N 15 121.668 0.25 . 1 . . . . 111 GLU N . 18228 1 888 . 1 1 87 87 VAL H H 1 7.935 0.03 . 1 . . . . 112 VAL H . 18228 1 889 . 1 1 87 87 VAL HA H 1 3.458 0.03 . 1 . . . . 112 VAL HA . 18228 1 890 . 1 1 87 87 VAL HB H 1 2.268 0.03 . 1 . . . . 112 VAL HB . 18228 1 891 . 1 1 87 87 VAL HG11 H 1 0.673 0.03 . 1 . . . . 112 VAL HG1 . 18228 1 892 . 1 1 87 87 VAL HG12 H 1 0.673 0.03 . 1 . . . . 112 VAL HG1 . 18228 1 893 . 1 1 87 87 VAL HG13 H 1 0.673 0.03 . 1 . . . . 112 VAL HG1 . 18228 1 894 . 1 1 87 87 VAL HG21 H 1 0.805 0.03 . 1 . . . . 112 VAL HG2 . 18228 1 895 . 1 1 87 87 VAL HG22 H 1 0.805 0.03 . 1 . . . . 112 VAL HG2 . 18228 1 896 . 1 1 87 87 VAL HG23 H 1 0.805 0.03 . 1 . . . . 112 VAL HG2 . 18228 1 897 . 1 1 87 87 VAL CA C 13 67.962 0.50 . 1 . . . . 112 VAL CA . 18228 1 898 . 1 1 87 87 VAL CB C 13 31.746 0.50 . 1 . . . . 112 VAL CB . 18228 1 899 . 1 1 87 87 VAL CG1 C 13 23.312 0.50 . 1 . . . . 112 VAL CG1 . 18228 1 900 . 1 1 87 87 VAL CG2 C 13 22.568 0.50 . 1 . . . . 112 VAL CG2 . 18228 1 901 . 1 1 87 87 VAL N N 15 118.939 0.25 . 1 . . . . 112 VAL N . 18228 1 902 . 1 1 88 88 LEU H H 1 8.403 0.03 . 1 . . . . 113 LEU H . 18228 1 903 . 1 1 88 88 LEU HA H 1 3.896 0.03 . 1 . . . . 113 LEU HA . 18228 1 904 . 1 1 88 88 LEU HB2 H 1 1.740 0.03 . 1 . . . . 113 LEU HB2 . 18228 1 905 . 1 1 88 88 LEU HB3 H 1 1.456 0.03 . 1 . . . . 113 LEU HB3 . 18228 1 906 . 1 1 88 88 LEU HG H 1 1.608 0.03 . 1 . . . . 113 LEU HG . 18228 1 907 . 1 1 88 88 LEU HD11 H 1 0.757 0.03 . 1 . . . . 113 LEU HD1 . 18228 1 908 . 1 1 88 88 LEU HD12 H 1 0.757 0.03 . 1 . . . . 113 LEU HD1 . 18228 1 909 . 1 1 88 88 LEU HD13 H 1 0.757 0.03 . 1 . . . . 113 LEU HD1 . 18228 1 910 . 1 1 88 88 LEU HD21 H 1 0.726 0.03 . 1 . . . . 113 LEU HD2 . 18228 1 911 . 1 1 88 88 LEU HD22 H 1 0.726 0.03 . 1 . . . . 113 LEU HD2 . 18228 1 912 . 1 1 88 88 LEU HD23 H 1 0.726 0.03 . 1 . . . . 113 LEU HD2 . 18228 1 913 . 1 1 88 88 LEU CA C 13 58.536 0.50 . 1 . . . . 113 LEU CA . 18228 1 914 . 1 1 88 88 LEU CB C 13 41.916 0.50 . 1 . . . . 113 LEU CB . 18228 1 915 . 1 1 88 88 LEU CG C 13 27.529 0.50 . 1 . . . . 113 LEU CG . 18228 1 916 . 1 1 88 88 LEU CD1 C 13 25.297 0.50 . 1 . . . . 113 LEU CD1 . 18228 1 917 . 1 1 88 88 LEU CD2 C 13 23.808 0.50 . 1 . . . . 113 LEU CD2 . 18228 1 918 . 1 1 88 88 LEU N N 15 118.215 0.25 . 1 . . . . 113 LEU N . 18228 1 919 . 1 1 89 89 SER H H 1 7.774 0.03 . 1 . . . . 114 SER H . 18228 1 920 . 1 1 89 89 SER HA H 1 4.127 0.03 . 1 . . . . 114 SER HA . 18228 1 921 . 1 1 89 89 SER HB2 H 1 4.015 0.03 . 1 . . . . 114 SER HB2 . 18228 1 922 . 1 1 89 89 SER HB3 H 1 3.960 0.03 . 1 . . . . 114 SER HB3 . 18228 1 923 . 1 1 89 89 SER CA C 13 61.512 0.50 . 1 . . . . 114 SER CA . 18228 1 924 . 1 1 89 89 SER CB C 13 63.001 0.50 . 1 . . . . 114 SER CB . 18228 1 925 . 1 1 89 89 SER N N 15 112.400 0.25 . 1 . . . . 114 SER N . 18228 1 926 . 1 1 90 90 VAL H H 1 8.482 0.03 . 1 . . . . 115 VAL H . 18228 1 927 . 1 1 90 90 VAL HA H 1 3.323 0.03 . 1 . . . . 115 VAL HA . 18228 1 928 . 1 1 90 90 VAL HB H 1 1.740 0.03 . 1 . . . . 115 VAL HB . 18228 1 929 . 1 1 90 90 VAL HG11 H 1 0.546 0.03 . 1 . . . . 115 VAL HG1 . 18228 1 930 . 1 1 90 90 VAL HG12 H 1 0.546 0.03 . 1 . . . . 115 VAL HG1 . 18228 1 931 . 1 1 90 90 VAL HG13 H 1 0.546 0.03 . 1 . . . . 115 VAL HG1 . 18228 1 932 . 1 1 90 90 VAL HG21 H 1 0.210 0.03 . 1 . . . . 115 VAL HG2 . 18228 1 933 . 1 1 90 90 VAL HG22 H 1 0.210 0.03 . 1 . . . . 115 VAL HG2 . 18228 1 934 . 1 1 90 90 VAL HG23 H 1 0.210 0.03 . 1 . . . . 115 VAL HG2 . 18228 1 935 . 1 1 90 90 VAL CA C 13 67.466 0.50 . 1 . . . . 115 VAL CA . 18228 1 936 . 1 1 90 90 VAL CB C 13 31.250 0.50 . 1 . . . . 115 VAL CB . 18228 1 937 . 1 1 90 90 VAL CG1 C 13 22.816 0.50 . 1 . . . . 115 VAL CG1 . 18228 1 938 . 1 1 90 90 VAL CG2 C 13 20.832 0.50 . 1 . . . . 115 VAL CG2 . 18228 1 939 . 1 1 90 90 VAL N N 15 121.751 0.25 . 1 . . . . 115 VAL N . 18228 1 940 . 1 1 91 91 LEU H H 1 8.804 0.03 . 1 . . . . 116 LEU H . 18228 1 941 . 1 1 91 91 LEU HA H 1 3.972 0.03 . 1 . . . . 116 LEU HA . 18228 1 942 . 1 1 91 91 LEU HB2 H 1 2.054 0.03 . 1 . . . . 116 LEU HB2 . 18228 1 943 . 1 1 91 91 LEU HB3 H 1 1.069 0.03 . 1 . . . . 116 LEU HB3 . 18228 1 944 . 1 1 91 91 LEU HG H 1 2.055 0.03 . 1 . . . . 116 LEU HG . 18228 1 945 . 1 1 91 91 LEU HD11 H 1 0.669 0.03 . 1 . . . . 116 LEU HD1 . 18228 1 946 . 1 1 91 91 LEU HD12 H 1 0.669 0.03 . 1 . . . . 116 LEU HD1 . 18228 1 947 . 1 1 91 91 LEU HD13 H 1 0.669 0.03 . 1 . . . . 116 LEU HD1 . 18228 1 948 . 1 1 91 91 LEU HD21 H 1 0.841 0.03 . 1 . . . . 116 LEU HD2 . 18228 1 949 . 1 1 91 91 LEU HD22 H 1 0.841 0.03 . 1 . . . . 116 LEU HD2 . 18228 1 950 . 1 1 91 91 LEU HD23 H 1 0.841 0.03 . 1 . . . . 116 LEU HD2 . 18228 1 951 . 1 1 91 91 LEU CA C 13 58.784 0.50 . 1 . . . . 116 LEU CA . 18228 1 952 . 1 1 91 91 LEU CB C 13 41.172 0.50 . 1 . . . . 116 LEU CB . 18228 1 953 . 1 1 91 91 LEU CG C 13 26.662 0.50 . 1 . . . . 116 LEU CG . 18228 1 954 . 1 1 91 91 LEU CD1 C 13 26.041 0.50 . 1 . . . . 116 LEU CD1 . 18228 1 955 . 1 1 91 91 LEU CD2 C 13 23.560 0.50 . 1 . . . . 116 LEU CD2 . 18228 1 956 . 1 1 91 91 LEU N N 15 118.228 0.25 . 1 . . . . 116 LEU N . 18228 1 957 . 1 1 92 92 ARG H H 1 8.377 0.03 . 1 . . . . 117 ARG H . 18228 1 958 . 1 1 92 92 ARG HA H 1 3.971 0.03 . 1 . . . . 117 ARG HA . 18228 1 959 . 1 1 92 92 ARG HB2 H 1 1.903 0.03 . 1 . . . . 117 ARG HB2 . 18228 1 960 . 1 1 92 92 ARG HB3 H 1 1.759 0.03 . 1 . . . . 117 ARG HB3 . 18228 1 961 . 1 1 92 92 ARG HG2 H 1 1.567 0.03 . 2 . . . . 117 ARG HG2 . 18228 1 962 . 1 1 92 92 ARG HG3 H 1 1.567 0.03 . 2 . . . . 117 ARG HG3 . 18228 1 963 . 1 1 92 92 ARG HD2 H 1 3.093 0.03 . 2 . . . . 117 ARG HD2 . 18228 1 964 . 1 1 92 92 ARG HD3 H 1 3.093 0.03 . 2 . . . . 117 ARG HD3 . 18228 1 965 . 1 1 92 92 ARG CA C 13 60.272 0.50 . 1 . . . . 117 ARG CA . 18228 1 966 . 1 1 92 92 ARG CB C 13 29.514 0.50 . 1 . . . . 117 ARG CB . 18228 1 967 . 1 1 92 92 ARG CG C 13 27.158 0.50 . 1 . . . . 117 ARG CG . 18228 1 968 . 1 1 92 92 ARG CD C 13 44.025 0.50 . 1 . . . . 117 ARG CD . 18228 1 969 . 1 1 92 92 ARG N N 15 117.465 0.25 . 1 . . . . 117 ARG N . 18228 1 970 . 1 1 93 93 GLN HA H 1 3.989 0.03 . 1 . . . . 118 GLN HA . 18228 1 971 . 1 1 93 93 GLN HB2 H 1 2.120 0.03 . 1 . . . . 118 GLN HB2 . 18228 1 972 . 1 1 93 93 GLN HB3 H 1 1.974 0.03 . 1 . . . . 118 GLN HB3 . 18228 1 973 . 1 1 93 93 GLN HG2 H 1 2.421 0.03 . 2 . . . . 118 GLN HG2 . 18228 1 974 . 1 1 93 93 GLN HG3 H 1 2.421 0.03 . 2 . . . . 118 GLN HG3 . 18228 1 975 . 1 1 93 93 GLN HE21 H 1 7.227 0.03 . 1 . . . . 118 GLN HE21 . 18228 1 976 . 1 1 93 93 GLN HE22 H 1 6.705 0.03 . 1 . . . . 118 GLN HE22 . 18228 1 977 . 1 1 93 93 GLN CA C 13 59.528 0.50 . 1 . . . . 118 GLN CA . 18228 1 978 . 1 1 93 93 GLN CB C 13 28.769 0.50 . 1 . . . . 118 GLN CB . 18228 1 979 . 1 1 93 93 GLN CG C 13 34.599 0.50 . 1 . . . . 118 GLN CG . 18228 1 980 . 1 1 93 93 GLN NE2 N 15 110.640 0.25 . 1 . . . . 118 GLN NE2 . 18228 1 981 . 1 1 94 94 LEU H H 1 8.907 0.03 . 1 . . . . 119 LEU H . 18228 1 982 . 1 1 94 94 LEU HA H 1 3.927 0.03 . 1 . . . . 119 LEU HA . 18228 1 983 . 1 1 94 94 LEU HB2 H 1 1.312 0.03 . 2 . . . . 119 LEU HB2 . 18228 1 984 . 1 1 94 94 LEU HB3 H 1 1.312 0.03 . 2 . . . . 119 LEU HB3 . 18228 1 985 . 1 1 94 94 LEU HG H 1 1.553 0.03 . 1 . . . . 119 LEU HG . 18228 1 986 . 1 1 94 94 LEU HD11 H 1 0.862 0.03 . 1 . . . . 119 LEU HD1 . 18228 1 987 . 1 1 94 94 LEU HD12 H 1 0.862 0.03 . 1 . . . . 119 LEU HD1 . 18228 1 988 . 1 1 94 94 LEU HD13 H 1 0.862 0.03 . 1 . . . . 119 LEU HD1 . 18228 1 989 . 1 1 94 94 LEU HD21 H 1 0.768 0.03 . 1 . . . . 119 LEU HD2 . 18228 1 990 . 1 1 94 94 LEU HD22 H 1 0.768 0.03 . 1 . . . . 119 LEU HD2 . 18228 1 991 . 1 1 94 94 LEU HD23 H 1 0.768 0.03 . 1 . . . . 119 LEU HD2 . 18228 1 992 . 1 1 94 94 LEU CA C 13 58.288 0.50 . 1 . . . . 119 LEU CA . 18228 1 993 . 1 1 94 94 LEU CB C 13 41.916 0.50 . 1 . . . . 119 LEU CB . 18228 1 994 . 1 1 94 94 LEU CG C 13 31.623 0.50 . 1 . . . . 119 LEU CG . 18228 1 995 . 1 1 94 94 LEU CD1 C 13 27.033 0.50 . 1 . . . . 119 LEU CD1 . 18228 1 996 . 1 1 94 94 LEU CD2 C 13 23.189 0.50 . 1 . . . . 119 LEU CD2 . 18228 1 997 . 1 1 94 94 LEU N N 15 121.457 0.25 . 1 . . . . 119 LEU N . 18228 1 998 . 1 1 95 95 GLN H H 1 8.187 0.03 . 1 . . . . 120 GLN H . 18228 1 999 . 1 1 95 95 GLN HA H 1 4.299 0.03 . 1 . . . . 120 GLN HA . 18228 1 1000 . 1 1 95 95 GLN HB2 H 1 2.008 0.03 . 2 . . . . 120 GLN HB2 . 18228 1 1001 . 1 1 95 95 GLN HB3 H 1 2.008 0.03 . 2 . . . . 120 GLN HB3 . 18228 1 1002 . 1 1 95 95 GLN HG2 H 1 2.456 0.03 . 1 . . . . 120 GLN HG2 . 18228 1 1003 . 1 1 95 95 GLN HG3 H 1 2.140 0.03 . 1 . . . . 120 GLN HG3 . 18228 1 1004 . 1 1 95 95 GLN HE21 H 1 7.175 0.03 . 1 . . . . 120 GLN HE21 . 18228 1 1005 . 1 1 95 95 GLN HE22 H 1 6.670 0.03 . 1 . . . . 120 GLN HE22 . 18228 1 1006 . 1 1 95 95 GLN CA C 13 59.528 0.50 . 1 . . . . 120 GLN CA . 18228 1 1007 . 1 1 95 95 GLN CB C 13 29.638 0.50 . 1 . . . . 120 GLN CB . 18228 1 1008 . 1 1 95 95 GLN CG C 13 35.095 0.50 . 1 . . . . 120 GLN CG . 18228 1 1009 . 1 1 95 95 GLN N N 15 115.772 0.25 . 1 . . . . 120 GLN N . 18228 1 1010 . 1 1 95 95 GLN NE2 N 15 110.884 0.25 . 1 . . . . 120 GLN NE2 . 18228 1 1011 . 1 1 96 96 ALA H H 1 7.945 0.03 . 1 . . . . 121 ALA H . 18228 1 1012 . 1 1 96 96 ALA HA H 1 3.977 0.03 . 1 . . . . 121 ALA HA . 18228 1 1013 . 1 1 96 96 ALA HB1 H 1 1.411 0.03 . 1 . . . . 121 ALA HB . 18228 1 1014 . 1 1 96 96 ALA HB2 H 1 1.411 0.03 . 1 . . . . 121 ALA HB . 18228 1 1015 . 1 1 96 96 ALA HB3 H 1 1.411 0.03 . 1 . . . . 121 ALA HB . 18228 1 1016 . 1 1 96 96 ALA CA C 13 54.938 0.50 . 1 . . . . 121 ALA CA . 18228 1 1017 . 1 1 96 96 ALA CB C 13 18.228 0.50 . 1 . . . . 121 ALA CB . 18228 1 1018 . 1 1 96 96 ALA N N 15 120.176 0.25 . 1 . . . . 121 ALA N . 18228 1 1019 . 1 1 97 97 ALA H H 1 7.944 0.03 . 1 . . . . 122 ALA H . 18228 1 1020 . 1 1 97 97 ALA HA H 1 4.148 0.03 . 1 . . . . 122 ALA HA . 18228 1 1021 . 1 1 97 97 ALA HB1 H 1 1.426 0.03 . 1 . . . . 122 ALA HB . 18228 1 1022 . 1 1 97 97 ALA HB2 H 1 1.426 0.03 . 1 . . . . 122 ALA HB . 18228 1 1023 . 1 1 97 97 ALA HB3 H 1 1.426 0.03 . 1 . . . . 122 ALA HB . 18228 1 1024 . 1 1 97 97 ALA CA C 13 60.520 0.50 . 1 . . . . 122 ALA CA . 18228 1 1025 . 1 1 97 97 ALA CB C 13 18.103 0.50 . 1 . . . . 122 ALA CB . 18228 1 1026 . 1 1 97 97 ALA N N 15 122.247 0.25 . 1 . . . . 122 ALA N . 18228 1 1027 . 1 1 98 98 GLU H H 1 8.610 0.03 . 1 . . . . 123 GLU H . 18228 1 1028 . 1 1 98 98 GLU HA H 1 4.622 0.03 . 1 . . . . 123 GLU HA . 18228 1 1029 . 1 1 98 98 GLU HB2 H 1 2.160 0.03 . 1 . . . . 123 GLU HB2 . 18228 1 1030 . 1 1 98 98 GLU HB3 H 1 1.994 0.03 . 1 . . . . 123 GLU HB3 . 18228 1 1031 . 1 1 98 98 GLU HG2 H 1 2.662 0.03 . 1 . . . . 123 GLU HG2 . 18228 1 1032 . 1 1 98 98 GLU HG3 H 1 2.160 0.03 . 1 . . . . 123 GLU HG3 . 18228 1 1033 . 1 1 98 98 GLU CA C 13 59.899 0.50 . 1 . . . . 123 GLU CA . 18228 1 1034 . 1 1 98 98 GLU CB C 13 31.623 0.50 . 1 . . . . 123 GLU CB . 18228 1 1035 . 1 1 98 98 GLU CG C 13 38.568 0.50 . 1 . . . . 123 GLU CG . 18228 1 1036 . 1 1 98 98 GLU N N 15 121.164 0.25 . 1 . . . . 123 GLU N . 18228 1 1037 . 1 1 99 99 ARG H H 1 7.223 0.03 . 1 . . . . 124 ARG H . 18228 1 1038 . 1 1 99 99 ARG HA H 1 4.028 0.03 . 1 . . . . 124 ARG HA . 18228 1 1039 . 1 1 99 99 ARG HB2 H 1 1.884 0.03 . 2 . . . . 124 ARG HB2 . 18228 1 1040 . 1 1 99 99 ARG HB3 H 1 1.884 0.03 . 2 . . . . 124 ARG HB3 . 18228 1 1041 . 1 1 99 99 ARG HG2 H 1 1.588 0.03 . 2 . . . . 124 ARG HG2 . 18228 1 1042 . 1 1 99 99 ARG HG3 H 1 1.588 0.03 . 2 . . . . 124 ARG HG3 . 18228 1 1043 . 1 1 99 99 ARG HD2 H 1 3.182 0.03 . 2 . . . . 124 ARG HD2 . 18228 1 1044 . 1 1 99 99 ARG HD3 H 1 3.182 0.03 . 2 . . . . 124 ARG HD3 . 18228 1 1045 . 1 1 99 99 ARG CA C 13 58.411 0.50 . 1 . . . . 124 ARG CA . 18228 1 1046 . 1 1 99 99 ARG CB C 13 29.638 0.50 . 1 . . . . 124 ARG CB . 18228 1 1047 . 1 1 99 99 ARG CG C 13 27.158 0.50 . 1 . . . . 124 ARG CG . 18228 1 1048 . 1 1 99 99 ARG CD C 13 43.405 0.50 . 1 . . . . 124 ARG CD . 18228 1 1049 . 1 1 99 99 ARG N N 15 115.660 0.25 . 1 . . . . 124 ARG N . 18228 1 1050 . 1 1 100 100 GLU H H 1 7.623 0.03 . 1 . . . . 125 GLU H . 18228 1 1051 . 1 1 100 100 GLU HA H 1 4.254 0.03 . 1 . . . . 125 GLU HA . 18228 1 1052 . 1 1 100 100 GLU HB2 H 1 1.983 0.03 . 1 . . . . 125 GLU HB2 . 18228 1 1053 . 1 1 100 100 GLU HB3 H 1 1.878 0.03 . 1 . . . . 125 GLU HB3 . 18228 1 1054 . 1 1 100 100 GLU HG2 H 1 2.185 0.03 . 2 . . . . 125 GLU HG2 . 18228 1 1055 . 1 1 100 100 GLU HG3 H 1 2.185 0.03 . 2 . . . . 125 GLU HG3 . 18228 1 1056 . 1 1 100 100 GLU CA C 13 56.303 0.50 . 1 . . . . 125 GLU CA . 18228 1 1057 . 1 1 100 100 GLU CB C 13 30.630 0.50 . 1 . . . . 125 GLU CB . 18228 1 1058 . 1 1 100 100 GLU CG C 13 36.211 0.50 . 1 . . . . 125 GLU CG . 18228 1 1059 . 1 1 100 100 GLU N N 15 115.774 0.25 . 1 . . . . 125 GLU N . 18228 1 1060 . 1 1 101 101 GLY H H 1 7.547 0.03 . 1 . . . . 126 GLY H . 18228 1 1061 . 1 1 101 101 GLY HA2 H 1 4.283 0.03 . 1 . . . . 126 GLY HA2 . 18228 1 1062 . 1 1 101 101 GLY HA3 H 1 3.897 0.03 . 1 . . . . 126 GLY HA3 . 18228 1 1063 . 1 1 101 101 GLY CA C 13 44.025 0.50 . 1 . . . . 126 GLY CA . 18228 1 1064 . 1 1 101 101 GLY N N 15 108.021 0.25 . 1 . . . . 126 GLY N . 18228 1 1065 . 1 1 102 102 PRO HA H 1 4.651 0.03 . 1 . . . . 127 PRO HA . 18228 1 1066 . 1 1 102 102 PRO HB2 H 1 2.151 0.03 . 1 . . . . 127 PRO HB2 . 18228 1 1067 . 1 1 102 102 PRO HB3 H 1 1.735 0.03 . 1 . . . . 127 PRO HB3 . 18228 1 1068 . 1 1 102 102 PRO HG2 H 1 1.846 0.03 . 1 . . . . 127 PRO HG2 . 18228 1 1069 . 1 1 102 102 PRO HG3 H 1 1.737 0.03 . 1 . . . . 127 PRO HG3 . 18228 1 1070 . 1 1 102 102 PRO HD2 H 1 3.665 0.03 . 1 . . . . 127 PRO HD2 . 18228 1 1071 . 1 1 102 102 PRO HD3 H 1 3.366 0.03 . 1 . . . . 127 PRO HD3 . 18228 1 1072 . 1 1 102 102 PRO CA C 13 62.876 0.50 . 1 . . . . 127 PRO CA . 18228 1 1073 . 1 1 102 102 PRO CB C 13 32.615 0.50 . 1 . . . . 127 PRO CB . 18228 1 1074 . 1 1 102 102 PRO CG C 13 27.529 0.50 . 1 . . . . 127 PRO CG . 18228 1 1075 . 1 1 102 102 PRO CD C 13 49.978 0.50 . 1 . . . . 127 PRO CD . 18228 1 1076 . 1 1 103 103 VAL H H 1 8.751 0.03 . 1 . . . . 128 VAL H . 18228 1 1077 . 1 1 103 103 VAL HA H 1 4.795 0.03 . 1 . . . . 128 VAL HA . 18228 1 1078 . 1 1 103 103 VAL HB H 1 2.159 0.03 . 1 . . . . 128 VAL HB . 18228 1 1079 . 1 1 103 103 VAL HG11 H 1 1.006 0.03 . 1 . . . . 128 VAL HG1 . 18228 1 1080 . 1 1 103 103 VAL HG12 H 1 1.006 0.03 . 1 . . . . 128 VAL HG1 . 18228 1 1081 . 1 1 103 103 VAL HG13 H 1 1.006 0.03 . 1 . . . . 128 VAL HG1 . 18228 1 1082 . 1 1 103 103 VAL HG21 H 1 0.728 0.03 . 1 . . . . 128 VAL HG2 . 18228 1 1083 . 1 1 103 103 VAL HG22 H 1 0.728 0.03 . 1 . . . . 128 VAL HG2 . 18228 1 1084 . 1 1 103 103 VAL HG23 H 1 0.728 0.03 . 1 . . . . 128 VAL HG2 . 18228 1 1085 . 1 1 103 103 VAL CA C 13 59.776 0.50 . 1 . . . . 128 VAL CA . 18228 1 1086 . 1 1 103 103 VAL CB C 13 35.715 0.50 . 1 . . . . 128 VAL CB . 18228 1 1087 . 1 1 103 103 VAL CG1 C 13 23.560 0.50 . 1 . . . . 128 VAL CG1 . 18228 1 1088 . 1 1 103 103 VAL CG2 C 13 21.080 0.50 . 1 . . . . 128 VAL CG2 . 18228 1 1089 . 1 1 103 103 VAL N N 15 126.724 0.25 . 1 . . . . 128 VAL N . 18228 1 1090 . 1 1 104 104 LEU H H 1 8.405 0.03 . 1 . . . . 129 LEU H . 18228 1 1091 . 1 1 104 104 LEU HA H 1 5.112 0.03 . 1 . . . . 129 LEU HA . 18228 1 1092 . 1 1 104 104 LEU HB2 H 1 1.740 0.03 . 1 . . . . 129 LEU HB2 . 18228 1 1093 . 1 1 104 104 LEU HB3 H 1 1.082 0.03 . 1 . . . . 129 LEU HB3 . 18228 1 1094 . 1 1 104 104 LEU HG H 1 1.181 0.03 . 1 . . . . 129 LEU HG . 18228 1 1095 . 1 1 104 104 LEU HD11 H 1 0.774 0.03 . 1 . . . . 129 LEU HD1 . 18228 1 1096 . 1 1 104 104 LEU HD12 H 1 0.774 0.03 . 1 . . . . 129 LEU HD1 . 18228 1 1097 . 1 1 104 104 LEU HD13 H 1 0.774 0.03 . 1 . . . . 129 LEU HD1 . 18228 1 1098 . 1 1 104 104 LEU HD21 H 1 0.774 0.03 . 1 . . . . 129 LEU HD2 . 18228 1 1099 . 1 1 104 104 LEU HD22 H 1 0.774 0.03 . 1 . . . . 129 LEU HD2 . 18228 1 1100 . 1 1 104 104 LEU HD23 H 1 0.774 0.03 . 1 . . . . 129 LEU HD2 . 18228 1 1101 . 1 1 104 104 LEU CA C 13 53.079 0.50 . 1 . . . . 129 LEU CA . 18228 1 1102 . 1 1 104 104 LEU CB C 13 46.133 0.50 . 1 . . . . 129 LEU CB . 18228 1 1103 . 1 1 104 104 LEU CG C 13 28.273 0.50 . 1 . . . . 129 LEU CG . 18228 1 1104 . 1 1 104 104 LEU CD1 C 13 26.041 0.50 . 1 . . . . 129 LEU CD1 . 18228 1 1105 . 1 1 104 104 LEU CD2 C 13 23.560 0.50 . 1 . . . . 129 LEU CD2 . 18228 1 1106 . 1 1 104 104 LEU N N 15 126.150 0.25 . 1 . . . . 129 LEU N . 18228 1 1107 . 1 1 105 105 MET H H 1 9.030 0.03 . 1 . . . . 130 MET H . 18228 1 1108 . 1 1 105 105 MET HA H 1 5.903 0.03 . 1 . . . . 130 MET HA . 18228 1 1109 . 1 1 105 105 MET HB2 H 1 1.893 0.03 . 1 . . . . 130 MET HB2 . 18228 1 1110 . 1 1 105 105 MET HB3 H 1 1.410 0.03 . 1 . . . . 130 MET HB3 . 18228 1 1111 . 1 1 105 105 MET HG2 H 1 2.862 0.03 . 1 . . . . 130 MET HG2 . 18228 1 1112 . 1 1 105 105 MET HG3 H 1 2.662 0.03 . 1 . . . . 130 MET HG3 . 18228 1 1113 . 1 1 105 105 MET HE1 H 1 1.567 0.03 . 1 . . . . 130 MET HE . 18228 1 1114 . 1 1 105 105 MET HE2 H 1 1.567 0.03 . 1 . . . . 130 MET HE . 18228 1 1115 . 1 1 105 105 MET HE3 H 1 1.567 0.03 . 1 . . . . 130 MET HE . 18228 1 1116 . 1 1 105 105 MET CA C 13 52.831 0.50 . 1 . . . . 130 MET CA . 18228 1 1117 . 1 1 105 105 MET CB C 13 35.219 0.50 . 1 . . . . 130 MET CB . 18228 1 1118 . 1 1 105 105 MET CG C 13 31.994 0.50 . 1 . . . . 130 MET CG . 18228 1 1119 . 1 1 105 105 MET CE C 13 12.294 0.50 . 1 . . . . 130 MET CE . 18228 1 1120 . 1 1 105 105 MET N N 15 125.204 0.25 . 1 . . . . 130 MET N . 18228 1 1121 . 1 1 106 106 HIS H H 1 8.143 0.03 . 1 . . . . 131 HIS H . 18228 1 1122 . 1 1 106 106 HIS HA H 1 5.735 0.03 . 1 . . . . 131 HIS HA . 18228 1 1123 . 1 1 106 106 HIS HB2 H 1 3.036 0.03 . 1 . . . . 131 HIS HB2 . 18228 1 1124 . 1 1 106 106 HIS HB3 H 1 2.859 0.03 . 1 . . . . 131 HIS HB3 . 18228 1 1125 . 1 1 106 106 HIS CA C 13 55.559 0.50 . 1 . . . . 131 HIS CA . 18228 1 1126 . 1 1 106 106 HIS CB C 13 34.103 0.50 . 1 . . . . 131 HIS CB . 18228 1 1127 . 1 1 106 106 HIS N N 15 115.562 0.25 . 1 . . . . 131 HIS N . 18228 1 1128 . 1 1 107 107 CYS H H 1 6.951 0.03 . 1 . . . . 132 CYS H . 18228 1 1129 . 1 1 107 107 CYS N N 15 118.119 0.25 . 1 . . . . 132 CYS N . 18228 1 1130 . 1 1 111 111 ASN HA H 1 5.155 0.03 . 1 . . . . 136 ASN HA . 18228 1 1131 . 1 1 111 111 ASN HB2 H 1 3.635 0.03 . 1 . . . . 136 ASN HB2 . 18228 1 1132 . 1 1 111 111 ASN HB3 H 1 2.255 0.03 . 1 . . . . 136 ASN HB3 . 18228 1 1133 . 1 1 111 111 ASN CA C 13 56.303 0.50 . 1 . . . . 136 ASN CA . 18228 1 1134 . 1 1 111 111 ASN CB C 13 40.676 0.50 . 1 . . . . 136 ASN CB . 18228 1 1135 . 1 1 112 112 ASN H H 1 8.191 0.03 . 1 . . . . 137 ASN H . 18228 1 1136 . 1 1 112 112 ASN HA H 1 4.871 0.03 . 1 . . . . 137 ASN HA . 18228 1 1137 . 1 1 112 112 ASN HB2 H 1 2.212 0.03 . 2 . . . . 137 ASN HB2 . 18228 1 1138 . 1 1 112 112 ASN HB3 H 1 2.212 0.03 . 2 . . . . 137 ASN HB3 . 18228 1 1139 . 1 1 112 112 ASN CA C 13 59.528 0.50 . 1 . . . . 137 ASN CA . 18228 1 1140 . 1 1 112 112 ASN CB C 13 41.420 0.50 . 1 . . . . 137 ASN CB . 18228 1 1141 . 1 1 112 112 ASN N N 15 113.666 0.25 . 1 . . . . 137 ASN N . 18228 1 1142 . 1 1 113 113 ARG H H 1 8.450 0.03 . 1 . . . . 138 ARG H . 18228 1 1143 . 1 1 113 113 ARG HA H 1 3.819 0.03 . 1 . . . . 138 ARG HA . 18228 1 1144 . 1 1 113 113 ARG HB2 H 1 1.734 0.03 . 1 . . . . 138 ARG HB2 . 18228 1 1145 . 1 1 113 113 ARG HB3 H 1 1.609 0.03 . 1 . . . . 138 ARG HB3 . 18228 1 1146 . 1 1 113 113 ARG HG2 H 1 1.373 0.03 . 2 . . . . 138 ARG HG2 . 18228 1 1147 . 1 1 113 113 ARG HG3 H 1 1.373 0.03 . 2 . . . . 138 ARG HG3 . 18228 1 1148 . 1 1 113 113 ARG HD2 H 1 2.918 0.03 . 2 . . . . 138 ARG HD2 . 18228 1 1149 . 1 1 113 113 ARG HD3 H 1 2.918 0.03 . 2 . . . . 138 ARG HD3 . 18228 1 1150 . 1 1 113 113 ARG CA C 13 58.040 0.50 . 1 . . . . 138 ARG CA . 18228 1 1151 . 1 1 113 113 ARG CB C 13 32.738 0.50 . 1 . . . . 138 ARG CB . 18228 1 1152 . 1 1 113 113 ARG CG C 13 25.297 0.50 . 1 . . . . 138 ARG CG . 18228 1 1153 . 1 1 113 113 ARG CD C 13 41.668 0.50 . 1 . . . . 138 ARG CD . 18228 1 1154 . 1 1 113 113 ARG N N 15 117.752 0.25 . 1 . . . . 138 ARG N . 18228 1 1155 . 1 1 114 114 THR HA H 1 3.597 0.03 . 1 . . . . 139 THR HA . 18228 1 1156 . 1 1 114 114 THR HB H 1 3.653 0.03 . 1 . . . . 139 THR HB . 18228 1 1157 . 1 1 114 114 THR HG21 H 1 1.118 0.03 . 1 . . . . 139 THR HG2 . 18228 1 1158 . 1 1 114 114 THR HG22 H 1 1.118 0.03 . 1 . . . . 139 THR HG2 . 18228 1 1159 . 1 1 114 114 THR HG23 H 1 1.118 0.03 . 1 . . . . 139 THR HG2 . 18228 1 1160 . 1 1 114 114 THR CA C 13 67.962 0.50 . 1 . . . . 139 THR CA . 18228 1 1161 . 1 1 114 114 THR CB C 13 67.837 0.50 . 1 . . . . 139 THR CB . 18228 1 1162 . 1 1 114 114 THR CG2 C 13 23.064 0.50 . 1 . . . . 139 THR CG2 . 18228 1 1163 . 1 1 115 115 GLY HA2 H 1 3.688 0.03 . 1 . . . . 140 GLY HA2 . 18228 1 1164 . 1 1 115 115 GLY HA3 H 1 3.307 0.03 . 1 . . . . 140 GLY HA3 . 18228 1 1165 . 1 1 115 115 GLY CA C 13 47.373 0.50 . 1 . . . . 140 GLY CA . 18228 1 1166 . 1 1 116 116 LEU H H 1 7.351 0.03 . 1 . . . . 141 LEU H . 18228 1 1167 . 1 1 116 116 LEU HA H 1 3.511 0.03 . 1 . . . . 141 LEU HA . 18228 1 1168 . 1 1 116 116 LEU HB2 H 1 1.253 0.03 . 1 . . . . 141 LEU HB2 . 18228 1 1169 . 1 1 116 116 LEU HB3 H 1 1.037 0.03 . 1 . . . . 141 LEU HB3 . 18228 1 1170 . 1 1 116 116 LEU HG H 1 1.039 0.03 . 1 . . . . 141 LEU HG . 18228 1 1171 . 1 1 116 116 LEU HD11 H 1 0.329 0.03 . 1 . . . . 141 LEU HD1 . 18228 1 1172 . 1 1 116 116 LEU HD12 H 1 0.329 0.03 . 1 . . . . 141 LEU HD1 . 18228 1 1173 . 1 1 116 116 LEU HD13 H 1 0.329 0.03 . 1 . . . . 141 LEU HD1 . 18228 1 1174 . 1 1 116 116 LEU HD21 H 1 -0.285 0.03 . 1 . . . . 141 LEU HD2 . 18228 1 1175 . 1 1 116 116 LEU HD22 H 1 -0.285 0.03 . 1 . . . . 141 LEU HD2 . 18228 1 1176 . 1 1 116 116 LEU HD23 H 1 -0.285 0.03 . 1 . . . . 141 LEU HD2 . 18228 1 1177 . 1 1 116 116 LEU CA C 13 58.907 0.50 . 1 . . . . 141 LEU CA . 18228 1 1178 . 1 1 116 116 LEU CB C 13 42.164 0.50 . 1 . . . . 141 LEU CB . 18228 1 1179 . 1 1 116 116 LEU CG C 13 28.150 0.50 . 1 . . . . 141 LEU CG . 18228 1 1180 . 1 1 116 116 LEU CD1 C 13 25.670 0.50 . 1 . . . . 141 LEU CD1 . 18228 1 1181 . 1 1 116 116 LEU CD2 C 13 23.312 0.50 . 1 . . . . 141 LEU CD2 . 18228 1 1182 . 1 1 116 116 LEU N N 15 123.016 0.25 . 1 . . . . 141 LEU N . 18228 1 1183 . 1 1 117 117 PHE HA H 1 3.813 0.03 . 1 . . . . 142 PHE HA . 18228 1 1184 . 1 1 117 117 PHE HB2 H 1 2.674 0.03 . 1 . . . . 142 PHE HB2 . 18228 1 1185 . 1 1 117 117 PHE HB3 H 1 2.347 0.03 . 1 . . . . 142 PHE HB3 . 18228 1 1186 . 1 1 117 117 PHE HD1 H 1 6.130 0.03 . 3 . . . . 142 PHE HD1 . 18228 1 1187 . 1 1 117 117 PHE HD2 H 1 6.130 0.03 . 3 . . . . 142 PHE HD2 . 18228 1 1188 . 1 1 117 117 PHE HE1 H 1 6.526 0.03 . 3 . . . . 142 PHE HE1 . 18228 1 1189 . 1 1 117 117 PHE HE2 H 1 6.526 0.03 . 3 . . . . 142 PHE HE2 . 18228 1 1190 . 1 1 117 117 PHE HZ H 1 6.980 0.03 . 1 . . . . 142 PHE HZ . 18228 1 1191 . 1 1 117 117 PHE CA C 13 62.257 0.50 . 1 . . . . 142 PHE CA . 18228 1 1192 . 1 1 117 117 PHE CB C 13 37.576 0.50 . 1 . . . . 142 PHE CB . 18228 1 1193 . 1 1 118 118 ALA H H 1 8.731 0.03 . 1 . . . . 143 ALA H . 18228 1 1194 . 1 1 118 118 ALA HA H 1 3.564 0.03 . 1 . . . . 143 ALA HA . 18228 1 1195 . 1 1 118 118 ALA HB1 H 1 1.090 0.03 . 1 . . . . 143 ALA HB . 18228 1 1196 . 1 1 118 118 ALA HB2 H 1 1.090 0.03 . 1 . . . . 143 ALA HB . 18228 1 1197 . 1 1 118 118 ALA HB3 H 1 1.090 0.03 . 1 . . . . 143 ALA HB . 18228 1 1198 . 1 1 118 118 ALA CA C 13 55.559 0.50 . 1 . . . . 143 ALA CA . 18228 1 1199 . 1 1 118 118 ALA CB C 13 19.095 0.50 . 1 . . . . 143 ALA CB . 18228 1 1200 . 1 1 118 118 ALA N N 15 120.694 0.25 . 1 . . . . 143 ALA N . 18228 1 1201 . 1 1 119 119 ALA H H 1 7.805 0.03 . 1 . . . . 144 ALA H . 18228 1 1202 . 1 1 119 119 ALA HA H 1 4.070 0.03 . 1 . . . . 144 ALA HA . 18228 1 1203 . 1 1 119 119 ALA HB1 H 1 1.221 0.03 . 1 . . . . 144 ALA HB . 18228 1 1204 . 1 1 119 119 ALA HB2 H 1 1.221 0.03 . 1 . . . . 144 ALA HB . 18228 1 1205 . 1 1 119 119 ALA HB3 H 1 1.221 0.03 . 1 . . . . 144 ALA HB . 18228 1 1206 . 1 1 119 119 ALA CA C 13 55.063 0.50 . 1 . . . . 144 ALA CA . 18228 1 1207 . 1 1 119 119 ALA CB C 13 18.228 0.50 . 1 . . . . 144 ALA CB . 18228 1 1208 . 1 1 119 119 ALA N N 15 119.744 0.25 . 1 . . . . 144 ALA N . 18228 1 1209 . 1 1 120 120 MET H H 1 7.989 0.03 . 1 . . . . 145 MET H . 18228 1 1210 . 1 1 120 120 MET HA H 1 4.526 0.03 . 1 . . . . 145 MET HA . 18228 1 1211 . 1 1 120 120 MET HB2 H 1 1.962 0.03 . 1 . . . . 145 MET HB2 . 18228 1 1212 . 1 1 120 120 MET HB3 H 1 1.817 0.03 . 1 . . . . 145 MET HB3 . 18228 1 1213 . 1 1 120 120 MET HG2 H 1 2.520 0.03 . 2 . . . . 145 MET HG2 . 18228 1 1214 . 1 1 120 120 MET HG3 H 1 2.520 0.03 . 2 . . . . 145 MET HG3 . 18228 1 1215 . 1 1 120 120 MET CA C 13 55.559 0.50 . 1 . . . . 145 MET CA . 18228 1 1216 . 1 1 120 120 MET CB C 13 27.777 0.50 . 1 . . . . 145 MET CB . 18228 1 1217 . 1 1 120 120 MET CG C 13 30.754 0.50 . 1 . . . . 145 MET CG . 18228 1 1218 . 1 1 120 120 MET N N 15 112.580 0.25 . 1 . . . . 145 MET N . 18228 1 1219 . 1 1 121 121 TYR H H 1 8.729 0.03 . 1 . . . . 146 TYR H . 18228 1 1220 . 1 1 121 121 TYR HA H 1 3.646 0.03 . 1 . . . . 146 TYR HA . 18228 1 1221 . 1 1 121 121 TYR HB2 H 1 3.156 0.03 . 1 . . . . 146 TYR HB2 . 18228 1 1222 . 1 1 121 121 TYR HB3 H 1 2.648 0.03 . 1 . . . . 146 TYR HB3 . 18228 1 1223 . 1 1 121 121 TYR HD1 H 1 6.554 0.03 . 3 . . . . 146 TYR HD1 . 18228 1 1224 . 1 1 121 121 TYR HD2 H 1 6.554 0.03 . 3 . . . . 146 TYR HD2 . 18228 1 1225 . 1 1 121 121 TYR HE1 H 1 6.469 0.03 . 3 . . . . 146 TYR HE1 . 18228 1 1226 . 1 1 121 121 TYR HE2 H 1 6.469 0.03 . 3 . . . . 146 TYR HE2 . 18228 1 1227 . 1 1 121 121 TYR CA C 13 62.380 0.50 . 1 . . . . 146 TYR CA . 18228 1 1228 . 1 1 121 121 TYR CB C 13 37.947 0.50 . 1 . . . . 146 TYR CB . 18228 1 1229 . 1 1 121 121 TYR N N 15 125.693 0.25 . 1 . . . . 146 TYR N . 18228 1 1230 . 1 1 122 122 ARG H H 1 8.335 0.03 . 1 . . . . 147 ARG H . 18228 1 1231 . 1 1 122 122 ARG HA H 1 3.225 0.03 . 1 . . . . 147 ARG HA . 18228 1 1232 . 1 1 122 122 ARG HB2 H 1 2.197 0.03 . 1 . . . . 147 ARG HB2 . 18228 1 1233 . 1 1 122 122 ARG HB3 H 1 0.592 0.03 . 1 . . . . 147 ARG HB3 . 18228 1 1234 . 1 1 122 122 ARG CA C 13 56.923 0.50 . 1 . . . . 147 ARG CA . 18228 1 1235 . 1 1 122 122 ARG CB C 13 29.762 0.50 . 1 . . . . 147 ARG CB . 18228 1 1236 . 1 1 122 122 ARG N N 15 117.619 0.25 . 1 . . . . 147 ARG N . 18228 1 1237 . 1 1 123 123 ILE H H 1 7.745 0.03 . 1 . . . . 148 ILE H . 18228 1 1238 . 1 1 123 123 ILE HA H 1 4.297 0.03 . 1 . . . . 148 ILE HA . 18228 1 1239 . 1 1 123 123 ILE HB H 1 1.498 0.03 . 1 . . . . 148 ILE HB . 18228 1 1240 . 1 1 123 123 ILE HG12 H 1 1.688 0.03 . 2 . . . . 148 ILE HG12 . 18228 1 1241 . 1 1 123 123 ILE HG13 H 1 1.688 0.03 . 2 . . . . 148 ILE HG13 . 18228 1 1242 . 1 1 123 123 ILE HG21 H 1 0.848 0.03 . 1 . . . . 148 ILE HG2 . 18228 1 1243 . 1 1 123 123 ILE HG22 H 1 0.848 0.03 . 1 . . . . 148 ILE HG2 . 18228 1 1244 . 1 1 123 123 ILE HG23 H 1 0.848 0.03 . 1 . . . . 148 ILE HG2 . 18228 1 1245 . 1 1 123 123 ILE HD11 H 1 0.765 0.03 . 1 . . . . 148 ILE HD1 . 18228 1 1246 . 1 1 123 123 ILE HD12 H 1 0.765 0.03 . 1 . . . . 148 ILE HD1 . 18228 1 1247 . 1 1 123 123 ILE HD13 H 1 0.765 0.03 . 1 . . . . 148 ILE HD1 . 18228 1 1248 . 1 1 123 123 ILE CA C 13 63.249 0.50 . 1 . . . . 148 ILE CA . 18228 1 1249 . 1 1 123 123 ILE CB C 13 41.172 0.50 . 1 . . . . 148 ILE CB . 18228 1 1250 . 1 1 123 123 ILE CG1 C 13 27.529 0.50 . 1 . . . . 148 ILE CG1 . 18228 1 1251 . 1 1 123 123 ILE CG2 C 13 18.103 0.50 . 1 . . . . 148 ILE CG2 . 18228 1 1252 . 1 1 123 123 ILE CD1 C 13 15.252 0.50 . 1 . . . . 148 ILE CD1 . 18228 1 1253 . 1 1 123 123 ILE N N 15 115.421 0.25 . 1 . . . . 148 ILE N . 18228 1 1254 . 1 1 124 124 VAL H H 1 9.154 0.03 . 1 . . . . 149 VAL H . 18228 1 1255 . 1 1 124 124 VAL HA H 1 3.437 0.03 . 1 . . . . 149 VAL HA . 18228 1 1256 . 1 1 124 124 VAL HB H 1 1.988 0.03 . 1 . . . . 149 VAL HB . 18228 1 1257 . 1 1 124 124 VAL HG11 H 1 0.855 0.03 . 1 . . . . 149 VAL HG1 . 18228 1 1258 . 1 1 124 124 VAL HG12 H 1 0.855 0.03 . 1 . . . . 149 VAL HG1 . 18228 1 1259 . 1 1 124 124 VAL HG13 H 1 0.855 0.03 . 1 . . . . 149 VAL HG1 . 18228 1 1260 . 1 1 124 124 VAL HG21 H 1 0.660 0.03 . 1 . . . . 149 VAL HG2 . 18228 1 1261 . 1 1 124 124 VAL HG22 H 1 0.660 0.03 . 1 . . . . 149 VAL HG2 . 18228 1 1262 . 1 1 124 124 VAL HG23 H 1 0.660 0.03 . 1 . . . . 149 VAL HG2 . 18228 1 1263 . 1 1 124 124 VAL CA C 13 65.729 0.50 . 1 . . . . 149 VAL CA . 18228 1 1264 . 1 1 124 124 VAL CB C 13 31.994 0.50 . 1 . . . . 149 VAL CB . 18228 1 1265 . 1 1 124 124 VAL CG1 C 13 22.568 0.50 . 1 . . . . 149 VAL CG1 . 18228 1 1266 . 1 1 124 124 VAL CG2 C 13 21.824 0.50 . 1 . . . . 149 VAL CG2 . 18228 1 1267 . 1 1 124 124 VAL N N 15 118.744 0.25 . 1 . . . . 149 VAL N . 18228 1 1268 . 1 1 125 125 VAL H H 1 7.696 0.03 . 1 . . . . 150 VAL H . 18228 1 1269 . 1 1 125 125 VAL HA H 1 3.638 0.03 . 1 . . . . 150 VAL HA . 18228 1 1270 . 1 1 125 125 VAL HB H 1 1.227 0.03 . 1 . . . . 150 VAL HB . 18228 1 1271 . 1 1 125 125 VAL HG11 H 1 0.416 0.03 . 1 . . . . 150 VAL HG1 . 18228 1 1272 . 1 1 125 125 VAL HG12 H 1 0.416 0.03 . 1 . . . . 150 VAL HG1 . 18228 1 1273 . 1 1 125 125 VAL HG13 H 1 0.416 0.03 . 1 . . . . 150 VAL HG1 . 18228 1 1274 . 1 1 125 125 VAL HG21 H 1 0.361 0.03 . 1 . . . . 150 VAL HG2 . 18228 1 1275 . 1 1 125 125 VAL HG22 H 1 0.361 0.03 . 1 . . . . 150 VAL HG2 . 18228 1 1276 . 1 1 125 125 VAL HG23 H 1 0.361 0.03 . 1 . . . . 150 VAL HG2 . 18228 1 1277 . 1 1 125 125 VAL CA C 13 64.489 0.50 . 1 . . . . 150 VAL CA . 18228 1 1278 . 1 1 125 125 VAL CB C 13 30.258 0.50 . 1 . . . . 150 VAL CB . 18228 1 1279 . 1 1 125 125 VAL CG1 C 13 22.072 0.50 . 1 . . . . 150 VAL CG1 . 18228 1 1280 . 1 1 125 125 VAL CG2 C 13 21.328 0.50 . 1 . . . . 150 VAL CG2 . 18228 1 1281 . 1 1 125 125 VAL N N 15 118.432 0.25 . 1 . . . . 150 VAL N . 18228 1 1282 . 1 1 126 126 GLN H H 1 7.089 0.03 . 1 . . . . 151 GLN H . 18228 1 1283 . 1 1 126 126 GLN HA H 1 4.431 0.03 . 1 . . . . 151 GLN HA . 18228 1 1284 . 1 1 126 126 GLN HB2 H 1 2.424 0.03 . 1 . . . . 151 GLN HB2 . 18228 1 1285 . 1 1 126 126 GLN HB3 H 1 2.363 0.03 . 1 . . . . 151 GLN HB3 . 18228 1 1286 . 1 1 126 126 GLN HG2 H 1 1.949 0.03 . 1 . . . . 151 GLN HG2 . 18228 1 1287 . 1 1 126 126 GLN HG3 H 1 1.863 0.03 . 1 . . . . 151 GLN HG3 . 18228 1 1288 . 1 1 126 126 GLN HE21 H 1 6.924 0.03 . 1 . . . . 151 GLN HE21 . 18228 1 1289 . 1 1 126 126 GLN HE22 H 1 6.480 0.03 . 1 . . . . 151 GLN HE22 . 18228 1 1290 . 1 1 126 126 GLN CA C 13 54.938 0.50 . 1 . . . . 151 GLN CA . 18228 1 1291 . 1 1 126 126 GLN CB C 13 31.126 0.50 . 1 . . . . 151 GLN CB . 18228 1 1292 . 1 1 126 126 GLN CG C 13 35.095 0.50 . 1 . . . . 151 GLN CG . 18228 1 1293 . 1 1 126 126 GLN N N 15 113.240 0.25 . 1 . . . . 151 GLN N . 18228 1 1294 . 1 1 126 126 GLN NE2 N 15 110.884 0.25 . 1 . . . . 151 GLN NE2 . 18228 1 1295 . 1 1 127 127 GLY H H 1 6.728 0.03 . 1 . . . . 152 GLY H . 18228 1 1296 . 1 1 127 127 GLY HA2 H 1 3.985 0.03 . 1 . . . . 152 GLY HA2 . 18228 1 1297 . 1 1 127 127 GLY HA3 H 1 3.749 0.03 . 1 . . . . 152 GLY HA3 . 18228 1 1298 . 1 1 127 127 GLY CA C 13 46.629 0.50 . 1 . . . . 152 GLY CA . 18228 1 1299 . 1 1 127 127 GLY N N 15 106.733 0.25 . 1 . . . . 152 GLY N . 18228 1 1300 . 1 1 128 128 TRP H H 1 9.026 0.03 . 1 . . . . 153 TRP H . 18228 1 1301 . 1 1 128 128 TRP HA H 1 4.486 0.03 . 1 . . . . 153 TRP HA . 18228 1 1302 . 1 1 128 128 TRP HB2 H 1 3.269 0.03 . 1 . . . . 153 TRP HB2 . 18228 1 1303 . 1 1 128 128 TRP HB3 H 1 2.322 0.03 . 1 . . . . 153 TRP HB3 . 18228 1 1304 . 1 1 128 128 TRP HD1 H 1 7.075 0.03 . 1 . . . . 153 TRP HD1 . 18228 1 1305 . 1 1 128 128 TRP HE1 H 1 10.367 0.03 . 1 . . . . 153 TRP HE1 . 18228 1 1306 . 1 1 128 128 TRP HE3 H 1 6.974 0.03 . 1 . . . . 153 TRP HE3 . 18228 1 1307 . 1 1 128 128 TRP HZ2 H 1 7.485 0.03 . 1 . . . . 153 TRP HZ2 . 18228 1 1308 . 1 1 128 128 TRP CA C 13 57.419 0.50 . 1 . . . . 153 TRP CA . 18228 1 1309 . 1 1 128 128 TRP CB C 13 29.142 0.50 . 1 . . . . 153 TRP CB . 18228 1 1310 . 1 1 128 128 TRP N N 15 123.244 0.25 . 1 . . . . 153 TRP N . 18228 1 1311 . 1 1 128 128 TRP NE1 N 15 129.654 0.25 . 1 . . . . 153 TRP NE1 . 18228 1 1312 . 1 1 129 129 ASP H H 1 8.174 0.03 . 1 . . . . 154 ASP H . 18228 1 1313 . 1 1 129 129 ASP HA H 1 4.634 0.03 . 1 . . . . 154 ASP HA . 18228 1 1314 . 1 1 129 129 ASP HB2 H 1 2.796 0.03 . 1 . . . . 154 ASP HB2 . 18228 1 1315 . 1 1 129 129 ASP HB3 H 1 2.666 0.03 . 1 . . . . 154 ASP HB3 . 18228 1 1316 . 1 1 129 129 ASP CA C 13 53.575 0.50 . 1 . . . . 154 ASP CA . 18228 1 1317 . 1 1 129 129 ASP CB C 13 42.660 0.50 . 1 . . . . 154 ASP CB . 18228 1 1318 . 1 1 129 129 ASP N N 15 116.737 0.25 . 1 . . . . 154 ASP N . 18228 1 1319 . 1 1 130 130 LYS H H 1 8.760 0.03 . 1 . . . . 155 LYS H . 18228 1 1320 . 1 1 130 130 LYS HA H 1 3.678 0.03 . 1 . . . . 155 LYS HA . 18228 1 1321 . 1 1 130 130 LYS HB2 H 1 1.753 0.03 . 2 . . . . 155 LYS HB2 . 18228 1 1322 . 1 1 130 130 LYS HB3 H 1 1.753 0.03 . 2 . . . . 155 LYS HB3 . 18228 1 1323 . 1 1 130 130 LYS HG2 H 1 1.310 0.03 . 2 . . . . 155 LYS HG2 . 18228 1 1324 . 1 1 130 130 LYS HG3 H 1 1.310 0.03 . 2 . . . . 155 LYS HG3 . 18228 1 1325 . 1 1 130 130 LYS HD2 H 1 1.664 0.03 . 2 . . . . 155 LYS HD2 . 18228 1 1326 . 1 1 130 130 LYS HD3 H 1 1.664 0.03 . 2 . . . . 155 LYS HD3 . 18228 1 1327 . 1 1 130 130 LYS HE2 H 1 3.036 0.03 . 2 . . . . 155 LYS HE2 . 18228 1 1328 . 1 1 130 130 LYS HE3 H 1 3.036 0.03 . 2 . . . . 155 LYS HE3 . 18228 1 1329 . 1 1 130 130 LYS CA C 13 60.395 0.50 . 1 . . . . 155 LYS CA . 18228 1 1330 . 1 1 130 130 LYS CB C 13 32.986 0.50 . 1 . . . . 155 LYS CB . 18228 1 1331 . 1 1 130 130 LYS CG C 13 25.297 0.50 . 1 . . . . 155 LYS CG . 18228 1 1332 . 1 1 130 130 LYS CD C 13 34.103 0.50 . 1 . . . . 155 LYS CD . 18228 1 1333 . 1 1 130 130 LYS CE C 13 43.405 0.50 . 1 . . . . 155 LYS CE . 18228 1 1334 . 1 1 130 130 LYS N N 15 121.499 0.25 . 1 . . . . 155 LYS N . 18228 1 1335 . 1 1 131 131 GLN H H 1 8.473 0.03 . 1 . . . . 156 GLN H . 18228 1 1336 . 1 1 131 131 GLN HA H 1 3.967 0.03 . 1 . . . . 156 GLN HA . 18228 1 1337 . 1 1 131 131 GLN HB2 H 1 2.118 0.03 . 1 . . . . 156 GLN HB2 . 18228 1 1338 . 1 1 131 131 GLN HB3 H 1 2.038 0.03 . 1 . . . . 156 GLN HB3 . 18228 1 1339 . 1 1 131 131 GLN HG2 H 1 2.392 0.03 . 2 . . . . 156 GLN HG2 . 18228 1 1340 . 1 1 131 131 GLN HG3 H 1 2.392 0.03 . 2 . . . . 156 GLN HG3 . 18228 1 1341 . 1 1 131 131 GLN HE21 H 1 7.733 0.03 . 1 . . . . 156 GLN HE21 . 18228 1 1342 . 1 1 131 131 GLN HE22 H 1 6.752 0.03 . 1 . . . . 156 GLN HE22 . 18228 1 1343 . 1 1 131 131 GLN CA C 13 59.280 0.50 . 1 . . . . 156 GLN CA . 18228 1 1344 . 1 1 131 131 GLN CB C 13 27.281 0.50 . 1 . . . . 156 GLN CB . 18228 1 1345 . 1 1 131 131 GLN CG C 13 33.234 0.50 . 1 . . . . 156 GLN CG . 18228 1 1346 . 1 1 131 131 GLN N N 15 116.533 0.25 . 1 . . . . 156 GLN N . 18228 1 1347 . 1 1 131 131 GLN NE2 N 15 112.347 0.25 . 1 . . . . 156 GLN NE2 . 18228 1 1348 . 1 1 132 132 ALA H H 1 7.583 0.03 . 1 . . . . 157 ALA H . 18228 1 1349 . 1 1 132 132 ALA HA H 1 4.448 0.03 . 1 . . . . 157 ALA HA . 18228 1 1350 . 1 1 132 132 ALA HB1 H 1 1.499 0.03 . 1 . . . . 157 ALA HB . 18228 1 1351 . 1 1 132 132 ALA HB2 H 1 1.499 0.03 . 1 . . . . 157 ALA HB . 18228 1 1352 . 1 1 132 132 ALA HB3 H 1 1.499 0.03 . 1 . . . . 157 ALA HB . 18228 1 1353 . 1 1 132 132 ALA CA C 13 54.815 0.50 . 1 . . . . 157 ALA CA . 18228 1 1354 . 1 1 132 132 ALA CB C 13 18.724 0.50 . 1 . . . . 157 ALA CB . 18228 1 1355 . 1 1 132 132 ALA N N 15 121.794 0.25 . 1 . . . . 157 ALA N . 18228 1 1356 . 1 1 133 133 ALA HA H 1 3.963 0.03 . 1 . . . . 158 ALA HA . 18228 1 1357 . 1 1 133 133 ALA HB1 H 1 1.487 0.03 . 1 . . . . 158 ALA HB . 18228 1 1358 . 1 1 133 133 ALA HB2 H 1 1.487 0.03 . 1 . . . . 158 ALA HB . 18228 1 1359 . 1 1 133 133 ALA HB3 H 1 1.487 0.03 . 1 . . . . 158 ALA HB . 18228 1 1360 . 1 1 133 133 ALA CA C 13 54.938 0.50 . 1 . . . . 158 ALA CA . 18228 1 1361 . 1 1 133 133 ALA CB C 13 19.717 0.50 . 1 . . . . 158 ALA CB . 18228 1 1362 . 1 1 134 134 LEU H H 1 8.642 0.03 . 1 . . . . 159 LEU H . 18228 1 1363 . 1 1 134 134 LEU HA H 1 3.902 0.03 . 1 . . . . 159 LEU HA . 18228 1 1364 . 1 1 134 134 LEU HB2 H 1 1.777 0.03 . 1 . . . . 159 LEU HB2 . 18228 1 1365 . 1 1 134 134 LEU HB3 H 1 1.449 0.03 . 1 . . . . 159 LEU HB3 . 18228 1 1366 . 1 1 134 134 LEU HG H 1 1.593 0.03 . 1 . . . . 159 LEU HG . 18228 1 1367 . 1 1 134 134 LEU HD11 H 1 0.828 0.03 . 1 . . . . 159 LEU HD1 . 18228 1 1368 . 1 1 134 134 LEU HD12 H 1 0.828 0.03 . 1 . . . . 159 LEU HD1 . 18228 1 1369 . 1 1 134 134 LEU HD13 H 1 0.828 0.03 . 1 . . . . 159 LEU HD1 . 18228 1 1370 . 1 1 134 134 LEU HD21 H 1 0.766 0.03 . 1 . . . . 159 LEU HD2 . 18228 1 1371 . 1 1 134 134 LEU HD22 H 1 0.766 0.03 . 1 . . . . 159 LEU HD2 . 18228 1 1372 . 1 1 134 134 LEU HD23 H 1 0.766 0.03 . 1 . . . . 159 LEU HD2 . 18228 1 1373 . 1 1 134 134 LEU CA C 13 58.040 0.50 . 1 . . . . 159 LEU CA . 18228 1 1374 . 1 1 134 134 LEU CB C 13 42.040 0.50 . 1 . . . . 159 LEU CB . 18228 1 1375 . 1 1 134 134 LEU CG C 13 27.654 0.50 . 1 . . . . 159 LEU CG . 18228 1 1376 . 1 1 134 134 LEU CD1 C 13 23.560 0.50 . 1 . . . . 159 LEU CD1 . 18228 1 1377 . 1 1 134 134 LEU CD2 C 13 23.312 0.50 . 1 . . . . 159 LEU CD2 . 18228 1 1378 . 1 1 134 134 LEU N N 15 121.097 0.25 . 1 . . . . 159 LEU N . 18228 1 1379 . 1 1 135 135 GLU H H 1 8.291 0.03 . 1 . . . . 160 GLU H . 18228 1 1380 . 1 1 135 135 GLU HA H 1 3.955 0.03 . 1 . . . . 160 GLU HA . 18228 1 1381 . 1 1 135 135 GLU HB2 H 1 2.246 0.03 . 1 . . . . 160 GLU HB2 . 18228 1 1382 . 1 1 135 135 GLU HB3 H 1 2.202 0.03 . 1 . . . . 160 GLU HB3 . 18228 1 1383 . 1 1 135 135 GLU HG2 H 1 2.543 0.03 . 1 . . . . 160 GLU HG2 . 18228 1 1384 . 1 1 135 135 GLU HG3 H 1 2.423 0.03 . 1 . . . . 160 GLU HG3 . 18228 1 1385 . 1 1 135 135 GLU CA C 13 60.024 0.50 . 1 . . . . 160 GLU CA . 18228 1 1386 . 1 1 135 135 GLU CB C 13 29.514 0.50 . 1 . . . . 160 GLU CB . 18228 1 1387 . 1 1 135 135 GLU CG C 13 36.955 0.50 . 1 . . . . 160 GLU CG . 18228 1 1388 . 1 1 135 135 GLU N N 15 120.028 0.25 . 1 . . . . 160 GLU N . 18228 1 1389 . 1 1 136 136 GLU H H 1 7.246 0.03 . 1 . . . . 161 GLU H . 18228 1 1390 . 1 1 136 136 GLU HA H 1 1.699 0.03 . 1 . . . . 161 GLU HA . 18228 1 1391 . 1 1 136 136 GLU HB2 H 1 0.987 0.03 . 2 . . . . 161 GLU HB2 . 18228 1 1392 . 1 1 136 136 GLU HB3 H 1 0.987 0.03 . 2 . . . . 161 GLU HB3 . 18228 1 1393 . 1 1 136 136 GLU HG2 H 1 1.401 0.03 . 2 . . . . 161 GLU HG2 . 18228 1 1394 . 1 1 136 136 GLU HG3 H 1 1.401 0.03 . 2 . . . . 161 GLU HG3 . 18228 1 1395 . 1 1 136 136 GLU CA C 13 58.907 0.50 . 1 . . . . 161 GLU CA . 18228 1 1396 . 1 1 136 136 GLU CB C 13 28.646 0.50 . 1 . . . . 161 GLU CB . 18228 1 1397 . 1 1 136 136 GLU CG C 13 36.583 0.50 . 1 . . . . 161 GLU CG . 18228 1 1398 . 1 1 136 136 GLU N N 15 118.121 0.25 . 1 . . . . 161 GLU N . 18228 1 1399 . 1 1 137 137 MET H H 1 7.552 0.03 . 1 . . . . 162 MET H . 18228 1 1400 . 1 1 137 137 MET HA H 1 3.855 0.03 . 1 . . . . 162 MET HA . 18228 1 1401 . 1 1 137 137 MET HB2 H 1 2.196 0.03 . 1 . . . . 162 MET HB2 . 18228 1 1402 . 1 1 137 137 MET HB3 H 1 1.967 0.03 . 1 . . . . 162 MET HB3 . 18228 1 1403 . 1 1 137 137 MET HG2 H 1 2.540 0.03 . 2 . . . . 162 MET HG2 . 18228 1 1404 . 1 1 137 137 MET HG3 H 1 2.540 0.03 . 2 . . . . 162 MET HG3 . 18228 1 1405 . 1 1 137 137 MET CA C 13 59.776 0.50 . 1 . . . . 162 MET CA . 18228 1 1406 . 1 1 137 137 MET CB C 13 35.467 0.50 . 1 . . . . 162 MET CB . 18228 1 1407 . 1 1 137 137 MET CG C 13 36.211 0.50 . 1 . . . . 162 MET CG . 18228 1 1408 . 1 1 137 137 MET N N 15 117.673 0.25 . 1 . . . . 162 MET N . 18228 1 1409 . 1 1 138 138 GLN H H 1 8.065 0.03 . 1 . . . . 163 GLN H . 18228 1 1410 . 1 1 138 138 GLN HA H 1 4.170 0.03 . 1 . . . . 163 GLN HA . 18228 1 1411 . 1 1 138 138 GLN HB2 H 1 1.983 0.03 . 2 . . . . 163 GLN HB2 . 18228 1 1412 . 1 1 138 138 GLN HB3 H 1 1.983 0.03 . 2 . . . . 163 GLN HB3 . 18228 1 1413 . 1 1 138 138 GLN HG2 H 1 2.186 0.03 . 2 . . . . 163 GLN HG2 . 18228 1 1414 . 1 1 138 138 GLN HG3 H 1 2.186 0.03 . 2 . . . . 163 GLN HG3 . 18228 1 1415 . 1 1 138 138 GLN CA C 13 56.923 0.50 . 1 . . . . 163 GLN CA . 18228 1 1416 . 1 1 138 138 GLN CB C 13 29.638 0.50 . 1 . . . . 163 GLN CB . 18228 1 1417 . 1 1 138 138 GLN CG C 13 33.979 0.50 . 1 . . . . 163 GLN CG . 18228 1 1418 . 1 1 138 138 GLN N N 15 113.133 0.25 . 1 . . . . 163 GLN N . 18228 1 1419 . 1 1 139 139 ARG H H 1 8.386 0.03 . 1 . . . . 164 ARG H . 18228 1 1420 . 1 1 139 139 ARG HA H 1 4.665 0.03 . 1 . . . . 164 ARG HA . 18228 1 1421 . 1 1 139 139 ARG HB2 H 1 2.175 0.03 . 1 . . . . 164 ARG HB2 . 18228 1 1422 . 1 1 139 139 ARG HB3 H 1 1.965 0.03 . 1 . . . . 164 ARG HB3 . 18228 1 1423 . 1 1 139 139 ARG HG2 H 1 1.751 0.03 . 1 . . . . 164 ARG HG2 . 18228 1 1424 . 1 1 139 139 ARG HG3 H 1 1.565 0.03 . 1 . . . . 164 ARG HG3 . 18228 1 1425 . 1 1 139 139 ARG HD2 H 1 3.222 0.03 . 2 . . . . 164 ARG HD2 . 18228 1 1426 . 1 1 139 139 ARG HD3 H 1 3.222 0.03 . 2 . . . . 164 ARG HD3 . 18228 1 1427 . 1 1 139 139 ARG CA C 13 54.938 0.50 . 1 . . . . 164 ARG CA . 18228 1 1428 . 1 1 139 139 ARG CB C 13 31.126 0.50 . 1 . . . . 164 ARG CB . 18228 1 1429 . 1 1 139 139 ARG CG C 13 27.777 0.50 . 1 . . . . 164 ARG CG . 18228 1 1430 . 1 1 139 139 ARG CD C 13 43.529 0.50 . 1 . . . . 164 ARG CD . 18228 1 1431 . 1 1 139 139 ARG N N 15 115.362 0.25 . 1 . . . . 164 ARG N . 18228 1 1432 . 1 1 140 140 GLY H H 1 7.952 0.03 . 1 . . . . 165 GLY H . 18228 1 1433 . 1 1 140 140 GLY HA2 H 1 3.770 0.03 . 1 . . . . 165 GLY HA2 . 18228 1 1434 . 1 1 140 140 GLY HA3 H 1 3.246 0.03 . 1 . . . . 165 GLY HA3 . 18228 1 1435 . 1 1 140 140 GLY CA C 13 46.629 0.50 . 1 . . . . 165 GLY CA . 18228 1 1436 . 1 1 140 140 GLY N N 15 109.276 0.25 . 1 . . . . 165 GLY N . 18228 1 1437 . 1 1 141 141 GLY H H 1 7.954 0.03 . 1 . . . . 166 GLY H . 18228 1 1438 . 1 1 141 141 GLY HA2 H 1 4.024 0.03 . 1 . . . . 166 GLY HA2 . 18228 1 1439 . 1 1 141 141 GLY HA3 H 1 3.543 0.03 . 1 . . . . 166 GLY HA3 . 18228 1 1440 . 1 1 141 141 GLY CA C 13 45.141 0.50 . 1 . . . . 166 GLY CA . 18228 1 1441 . 1 1 141 141 GLY N N 15 107.837 0.25 . 1 . . . . 166 GLY N . 18228 1 1442 . 1 1 142 142 PHE H H 1 7.469 0.03 . 1 . . . . 167 PHE H . 18228 1 1443 . 1 1 142 142 PHE HA H 1 4.438 0.03 . 1 . . . . 167 PHE HA . 18228 1 1444 . 1 1 142 142 PHE HB2 H 1 3.068 0.03 . 1 . . . . 167 PHE HB2 . 18228 1 1445 . 1 1 142 142 PHE HB3 H 1 2.549 0.03 . 1 . . . . 167 PHE HB3 . 18228 1 1446 . 1 1 142 142 PHE HD1 H 1 6.674 0.03 . 3 . . . . 167 PHE HD1 . 18228 1 1447 . 1 1 142 142 PHE HD2 H 1 6.674 0.03 . 3 . . . . 167 PHE HD2 . 18228 1 1448 . 1 1 142 142 PHE HE1 H 1 6.282 0.03 . 3 . . . . 167 PHE HE1 . 18228 1 1449 . 1 1 142 142 PHE HE2 H 1 6.282 0.03 . 3 . . . . 167 PHE HE2 . 18228 1 1450 . 1 1 142 142 PHE HZ H 1 6.498 0.03 . 1 . . . . 167 PHE HZ . 18228 1 1451 . 1 1 142 142 PHE CA C 13 57.419 0.50 . 1 . . . . 167 PHE CA . 18228 1 1452 . 1 1 142 142 PHE CB C 13 39.064 0.50 . 1 . . . . 167 PHE CB . 18228 1 1453 . 1 1 142 142 PHE N N 15 118.937 0.25 . 1 . . . . 167 PHE N . 18228 1 1454 . 1 1 143 143 GLY H H 1 7.722 0.03 . 1 . . . . 168 GLY H . 18228 1 1455 . 1 1 143 143 GLY HA2 H 1 4.165 0.03 . 1 . . . . 168 GLY HA2 . 18228 1 1456 . 1 1 143 143 GLY HA3 H 1 3.825 0.03 . 1 . . . . 168 GLY HA3 . 18228 1 1457 . 1 1 143 143 GLY CA C 13 44.893 0.50 . 1 . . . . 168 GLY CA . 18228 1 1458 . 1 1 143 143 GLY N N 15 105.014 0.25 . 1 . . . . 168 GLY N . 18228 1 1459 . 1 1 144 144 ASP H H 1 8.610 0.03 . 1 . . . . 169 ASP H . 18228 1 1460 . 1 1 144 144 ASP HA H 1 4.634 0.03 . 1 . . . . 169 ASP HA . 18228 1 1461 . 1 1 144 144 ASP HB2 H 1 2.703 0.03 . 1 . . . . 169 ASP HB2 . 18228 1 1462 . 1 1 144 144 ASP HB3 H 1 2.513 0.03 . 1 . . . . 169 ASP HB3 . 18228 1 1463 . 1 1 144 144 ASP CA C 13 54.815 0.50 . 1 . . . . 169 ASP CA . 18228 1 1464 . 1 1 144 144 ASP CB C 13 42.164 0.50 . 1 . . . . 169 ASP CB . 18228 1 1465 . 1 1 144 144 ASP N N 15 120.140 0.25 . 1 . . . . 169 ASP N . 18228 1 1466 . 1 1 145 145 GLU H H 1 8.672 0.03 . 1 . . . . 170 GLU H . 18228 1 1467 . 1 1 145 145 GLU HA H 1 3.903 0.03 . 1 . . . . 170 GLU HA . 18228 1 1468 . 1 1 145 145 GLU HB2 H 1 1.751 0.03 . 2 . . . . 170 GLU HB2 . 18228 1 1469 . 1 1 145 145 GLU HB3 H 1 1.751 0.03 . 2 . . . . 170 GLU HB3 . 18228 1 1470 . 1 1 145 145 GLU HG2 H 1 2.113 0.03 . 2 . . . . 170 GLU HG2 . 18228 1 1471 . 1 1 145 145 GLU HG3 H 1 2.113 0.03 . 2 . . . . 170 GLU HG3 . 18228 1 1472 . 1 1 145 145 GLU CA C 13 59.403 0.50 . 1 . . . . 170 GLU CA . 18228 1 1473 . 1 1 145 145 GLU CB C 13 29.762 0.50 . 1 . . . . 170 GLU CB . 18228 1 1474 . 1 1 145 145 GLU CG C 13 36.087 0.50 . 1 . . . . 170 GLU CG . 18228 1 1475 . 1 1 145 145 GLU N N 15 120.837 0.25 . 1 . . . . 170 GLU N . 18228 1 1476 . 1 1 146 146 ASP H H 1 8.313 0.03 . 1 . . . . 171 ASP H . 18228 1 1477 . 1 1 146 146 ASP HA H 1 4.423 0.03 . 1 . . . . 171 ASP HA . 18228 1 1478 . 1 1 146 146 ASP HB2 H 1 2.775 0.03 . 2 . . . . 171 ASP HB2 . 18228 1 1479 . 1 1 146 146 ASP HB3 H 1 2.775 0.03 . 2 . . . . 171 ASP HB3 . 18228 1 1480 . 1 1 146 146 ASP CA C 13 54.938 0.50 . 1 . . . . 171 ASP CA . 18228 1 1481 . 1 1 146 146 ASP CB C 13 41.668 0.50 . 1 . . . . 171 ASP CB . 18228 1 1482 . 1 1 146 146 ASP N N 15 118.501 0.25 . 1 . . . . 171 ASP N . 18228 1 1483 . 1 1 149 149 ARG HA H 1 3.921 0.03 . 1 . . . . 174 ARG HA . 18228 1 1484 . 1 1 149 149 ARG HB2 H 1 1.896 0.03 . 1 . . . . 174 ARG HB2 . 18228 1 1485 . 1 1 149 149 ARG HB3 H 1 1.750 0.03 . 1 . . . . 174 ARG HB3 . 18228 1 1486 . 1 1 149 149 ARG HG2 H 1 1.567 0.03 . 2 . . . . 174 ARG HG2 . 18228 1 1487 . 1 1 149 149 ARG HG3 H 1 1.567 0.03 . 2 . . . . 174 ARG HG3 . 18228 1 1488 . 1 1 149 149 ARG HD2 H 1 3.139 0.03 . 2 . . . . 174 ARG HD2 . 18228 1 1489 . 1 1 149 149 ARG HD3 H 1 3.139 0.03 . 2 . . . . 174 ARG HD3 . 18228 1 1490 . 1 1 149 149 ARG CA C 13 59.776 0.50 . 1 . . . . 174 ARG CA . 18228 1 1491 . 1 1 149 149 ARG CB C 13 30.010 0.50 . 1 . . . . 174 ARG CB . 18228 1 1492 . 1 1 149 149 ARG CG C 13 26.537 0.50 . 1 . . . . 174 ARG CG . 18228 1 1493 . 1 1 149 149 ARG CD C 13 43.156 0.50 . 1 . . . . 174 ARG CD . 18228 1 1494 . 1 1 150 150 ASP H H 1 8.627 0.03 . 1 . . . . 175 ASP H . 18228 1 1495 . 1 1 150 150 ASP HA H 1 3.958 0.03 . 1 . . . . 175 ASP HA . 18228 1 1496 . 1 1 150 150 ASP HB2 H 1 2.543 0.03 . 1 . . . . 175 ASP HB2 . 18228 1 1497 . 1 1 150 150 ASP HB3 H 1 2.439 0.03 . 1 . . . . 175 ASP HB3 . 18228 1 1498 . 1 1 150 150 ASP CA C 13 57.295 0.50 . 1 . . . . 175 ASP CA . 18228 1 1499 . 1 1 150 150 ASP CB C 13 40.428 0.50 . 1 . . . . 175 ASP CB . 18228 1 1500 . 1 1 150 150 ASP N N 15 119.603 0.25 . 1 . . . . 175 ASP N . 18228 1 1501 . 1 1 151 151 ALA H H 1 8.372 0.03 . 1 . . . . 176 ALA H . 18228 1 1502 . 1 1 151 151 ALA HA H 1 3.851 0.03 . 1 . . . . 176 ALA HA . 18228 1 1503 . 1 1 151 151 ALA HB1 H 1 1.271 0.03 . 1 . . . . 176 ALA HB . 18228 1 1504 . 1 1 151 151 ALA HB2 H 1 1.271 0.03 . 1 . . . . 176 ALA HB . 18228 1 1505 . 1 1 151 151 ALA HB3 H 1 1.271 0.03 . 1 . . . . 176 ALA HB . 18228 1 1506 . 1 1 151 151 ALA CA C 13 54.938 0.50 . 1 . . . . 176 ALA CA . 18228 1 1507 . 1 1 151 151 ALA CB C 13 18.724 0.50 . 1 . . . . 176 ALA CB . 18228 1 1508 . 1 1 151 151 ALA N N 15 124.513 0.25 . 1 . . . . 176 ALA N . 18228 1 1509 . 1 1 152 152 SER H H 1 8.396 0.03 . 1 . . . . 177 SER H . 18228 1 1510 . 1 1 152 152 SER HA H 1 3.821 0.03 . 1 . . . . 177 SER HA . 18228 1 1511 . 1 1 152 152 SER HB2 H 1 3.656 0.03 . 2 . . . . 177 SER HB2 . 18228 1 1512 . 1 1 152 152 SER HB3 H 1 3.656 0.03 . 2 . . . . 177 SER HB3 . 18228 1 1513 . 1 1 152 152 SER CA C 13 62.008 0.50 . 1 . . . . 177 SER CA . 18228 1 1514 . 1 1 152 152 SER CB C 13 62.008 0.50 . 1 . . . . 177 SER CB . 18228 1 1515 . 1 1 152 152 SER N N 15 112.632 0.25 . 1 . . . . 177 SER N . 18228 1 1516 . 1 1 153 153 ALA H H 1 7.758 0.03 . 1 . . . . 178 ALA H . 18228 1 1517 . 1 1 153 153 ALA HA H 1 3.970 0.03 . 1 . . . . 178 ALA HA . 18228 1 1518 . 1 1 153 153 ALA HB1 H 1 1.396 0.03 . 1 . . . . 178 ALA HB . 18228 1 1519 . 1 1 153 153 ALA HB2 H 1 1.396 0.03 . 1 . . . . 178 ALA HB . 18228 1 1520 . 1 1 153 153 ALA HB3 H 1 1.396 0.03 . 1 . . . . 178 ALA HB . 18228 1 1521 . 1 1 153 153 ALA CA C 13 55.311 0.50 . 1 . . . . 178 ALA CA . 18228 1 1522 . 1 1 153 153 ALA CB C 13 18.228 0.50 . 1 . . . . 178 ALA CB . 18228 1 1523 . 1 1 153 153 ALA N N 15 122.757 0.25 . 1 . . . . 178 ALA N . 18228 1 1524 . 1 1 154 154 TYR H H 1 7.749 0.03 . 1 . . . . 179 TYR H . 18228 1 1525 . 1 1 154 154 TYR HA H 1 3.852 0.03 . 1 . . . . 179 TYR HA . 18228 1 1526 . 1 1 154 154 TYR HB2 H 1 3.082 0.03 . 1 . . . . 179 TYR HB2 . 18228 1 1527 . 1 1 154 154 TYR HB3 H 1 2.671 0.03 . 1 . . . . 179 TYR HB3 . 18228 1 1528 . 1 1 154 154 TYR HD1 H 1 6.740 0.03 . 3 . . . . 179 TYR HD1 . 18228 1 1529 . 1 1 154 154 TYR HD2 H 1 6.740 0.03 . 3 . . . . 179 TYR HD2 . 18228 1 1530 . 1 1 154 154 TYR HE1 H 1 6.502 0.03 . 3 . . . . 179 TYR HE1 . 18228 1 1531 . 1 1 154 154 TYR HE2 H 1 6.502 0.03 . 3 . . . . 179 TYR HE2 . 18228 1 1532 . 1 1 154 154 TYR CA C 13 61.760 0.50 . 1 . . . . 179 TYR CA . 18228 1 1533 . 1 1 154 154 TYR CB C 13 37.576 0.50 . 1 . . . . 179 TYR CB . 18228 1 1534 . 1 1 154 154 TYR N N 15 118.533 0.25 . 1 . . . . 179 TYR N . 18228 1 1535 . 1 1 155 155 VAL H H 1 7.993 0.03 . 1 . . . . 180 VAL H . 18228 1 1536 . 1 1 155 155 VAL HA H 1 3.135 0.03 . 1 . . . . 180 VAL HA . 18228 1 1537 . 1 1 155 155 VAL HB H 1 1.943 0.03 . 1 . . . . 180 VAL HB . 18228 1 1538 . 1 1 155 155 VAL HG11 H 1 1.018 0.03 . 1 . . . . 180 VAL HG1 . 18228 1 1539 . 1 1 155 155 VAL HG12 H 1 1.018 0.03 . 1 . . . . 180 VAL HG1 . 18228 1 1540 . 1 1 155 155 VAL HG13 H 1 1.018 0.03 . 1 . . . . 180 VAL HG1 . 18228 1 1541 . 1 1 155 155 VAL HG21 H 1 0.656 0.03 . 1 . . . . 180 VAL HG2 . 18228 1 1542 . 1 1 155 155 VAL HG22 H 1 0.656 0.03 . 1 . . . . 180 VAL HG2 . 18228 1 1543 . 1 1 155 155 VAL HG23 H 1 0.656 0.03 . 1 . . . . 180 VAL HG2 . 18228 1 1544 . 1 1 155 155 VAL CA C 13 66.721 0.50 . 1 . . . . 180 VAL CA . 18228 1 1545 . 1 1 155 155 VAL CB C 13 31.498 0.50 . 1 . . . . 180 VAL CB . 18228 1 1546 . 1 1 155 155 VAL CG1 C 13 22.320 0.50 . 1 . . . . 180 VAL CG1 . 18228 1 1547 . 1 1 155 155 VAL CG2 C 13 21.576 0.50 . 1 . . . . 180 VAL CG2 . 18228 1 1548 . 1 1 155 155 VAL N N 15 118.809 0.25 . 1 . . . . 180 VAL N . 18228 1 1549 . 1 1 156 156 ARG H H 1 8.214 0.03 . 1 . . . . 181 ARG H . 18228 1 1550 . 1 1 156 156 ARG HA H 1 3.701 0.03 . 1 . . . . 181 ARG HA . 18228 1 1551 . 1 1 156 156 ARG HB2 H 1 1.666 0.03 . 2 . . . . 181 ARG HB2 . 18228 1 1552 . 1 1 156 156 ARG HB3 H 1 1.666 0.03 . 2 . . . . 181 ARG HB3 . 18228 1 1553 . 1 1 156 156 ARG HG2 H 1 1.474 0.03 . 2 . . . . 181 ARG HG2 . 18228 1 1554 . 1 1 156 156 ARG HG3 H 1 1.474 0.03 . 2 . . . . 181 ARG HG3 . 18228 1 1555 . 1 1 156 156 ARG HD2 H 1 3.092 0.03 . 2 . . . . 181 ARG HD2 . 18228 1 1556 . 1 1 156 156 ARG HD3 H 1 3.092 0.03 . 2 . . . . 181 ARG HD3 . 18228 1 1557 . 1 1 156 156 ARG CA C 13 60.272 0.50 . 1 . . . . 181 ARG CA . 18228 1 1558 . 1 1 156 156 ARG CB C 13 30.134 0.50 . 1 . . . . 181 ARG CB . 18228 1 1559 . 1 1 156 156 ARG CG C 13 29.018 0.50 . 1 . . . . 181 ARG CG . 18228 1 1560 . 1 1 156 156 ARG CD C 13 43.156 0.50 . 1 . . . . 181 ARG CD . 18228 1 1561 . 1 1 156 156 ARG N N 15 115.397 0.25 . 1 . . . . 181 ARG N . 18228 1 1562 . 1 1 157 157 GLY H H 1 7.233 0.03 . 1 . . . . 182 GLY H . 18228 1 1563 . 1 1 157 157 GLY HA2 H 1 4.032 0.03 . 1 . . . . 182 GLY HA2 . 18228 1 1564 . 1 1 157 157 GLY HA3 H 1 3.552 0.03 . 1 . . . . 182 GLY HA3 . 18228 1 1565 . 1 1 157 157 GLY CA C 13 45.389 0.50 . 1 . . . . 182 GLY CA . 18228 1 1566 . 1 1 157 157 GLY N N 15 104.670 0.25 . 1 . . . . 182 GLY N . 18228 1 1567 . 1 1 158 158 ALA H H 1 6.924 0.03 . 1 . . . . 183 ALA H . 18228 1 1568 . 1 1 158 158 ALA HA H 1 3.842 0.03 . 1 . . . . 183 ALA HA . 18228 1 1569 . 1 1 158 158 ALA HB1 H 1 0.867 0.03 . 1 . . . . 183 ALA HB . 18228 1 1570 . 1 1 158 158 ALA HB2 H 1 0.867 0.03 . 1 . . . . 183 ALA HB . 18228 1 1571 . 1 1 158 158 ALA HB3 H 1 0.867 0.03 . 1 . . . . 183 ALA HB . 18228 1 1572 . 1 1 158 158 ALA CA C 13 53.079 0.50 . 1 . . . . 183 ALA CA . 18228 1 1573 . 1 1 158 158 ALA CB C 13 18.351 0.50 . 1 . . . . 183 ALA CB . 18228 1 1574 . 1 1 158 158 ALA N N 15 123.246 0.25 . 1 . . . . 183 ALA N . 18228 1 1575 . 1 1 159 159 ASP H H 1 8.918 0.03 . 1 . . . . 184 ASP H . 18228 1 1576 . 1 1 159 159 ASP HA H 1 4.659 0.03 . 1 . . . . 184 ASP HA . 18228 1 1577 . 1 1 159 159 ASP HB2 H 1 2.942 0.03 . 1 . . . . 184 ASP HB2 . 18228 1 1578 . 1 1 159 159 ASP HB3 H 1 2.575 0.03 . 1 . . . . 184 ASP HB3 . 18228 1 1579 . 1 1 159 159 ASP CA C 13 52.334 0.50 . 1 . . . . 184 ASP CA . 18228 1 1580 . 1 1 159 159 ASP CB C 13 38.940 0.50 . 1 . . . . 184 ASP CB . 18228 1 1581 . 1 1 159 159 ASP N N 15 122.489 0.25 . 1 . . . . 184 ASP N . 18228 1 1582 . 1 1 160 160 VAL H H 1 7.868 0.03 . 1 . . . . 185 VAL H . 18228 1 1583 . 1 1 160 160 VAL HA H 1 3.342 0.03 . 1 . . . . 185 VAL HA . 18228 1 1584 . 1 1 160 160 VAL HB H 1 1.983 0.03 . 1 . . . . 185 VAL HB . 18228 1 1585 . 1 1 160 160 VAL HG11 H 1 0.966 0.03 . 1 . . . . 185 VAL HG1 . 18228 1 1586 . 1 1 160 160 VAL HG12 H 1 0.966 0.03 . 1 . . . . 185 VAL HG1 . 18228 1 1587 . 1 1 160 160 VAL HG13 H 1 0.966 0.03 . 1 . . . . 185 VAL HG1 . 18228 1 1588 . 1 1 160 160 VAL HG21 H 1 0.820 0.03 . 1 . . . . 185 VAL HG2 . 18228 1 1589 . 1 1 160 160 VAL HG22 H 1 0.820 0.03 . 1 . . . . 185 VAL HG2 . 18228 1 1590 . 1 1 160 160 VAL HG23 H 1 0.820 0.03 . 1 . . . . 185 VAL HG2 . 18228 1 1591 . 1 1 160 160 VAL CA C 13 66.473 0.50 . 1 . . . . 185 VAL CA . 18228 1 1592 . 1 1 160 160 VAL CB C 13 31.746 0.50 . 1 . . . . 185 VAL CB . 18228 1 1593 . 1 1 160 160 VAL CG1 C 13 22.072 0.50 . 1 . . . . 185 VAL CG1 . 18228 1 1594 . 1 1 160 160 VAL CG2 C 13 21.824 0.50 . 1 . . . . 185 VAL CG2 . 18228 1 1595 . 1 1 160 160 VAL N N 15 123.565 0.25 . 1 . . . . 185 VAL N . 18228 1 1596 . 1 1 161 161 ASP H H 1 8.291 0.03 . 1 . . . . 186 ASP H . 18228 1 1597 . 1 1 161 161 ASP HA H 1 4.310 0.03 . 1 . . . . 186 ASP HA . 18228 1 1598 . 1 1 161 161 ASP HB2 H 1 2.577 0.03 . 2 . . . . 186 ASP HB2 . 18228 1 1599 . 1 1 161 161 ASP HB3 H 1 2.577 0.03 . 2 . . . . 186 ASP HB3 . 18228 1 1600 . 1 1 161 161 ASP CA C 13 56.923 0.50 . 1 . . . . 186 ASP CA . 18228 1 1601 . 1 1 161 161 ASP CB C 13 40.180 0.50 . 1 . . . . 186 ASP CB . 18228 1 1602 . 1 1 161 161 ASP N N 15 120.028 0.25 . 1 . . . . 186 ASP N . 18228 1 1603 . 1 1 162 162 GLY H H 1 8.170 0.03 . 1 . . . . 187 GLY H . 18228 1 1604 . 1 1 162 162 GLY HA2 H 1 3.750 0.03 . 2 . . . . 187 GLY HA2 . 18228 1 1605 . 1 1 162 162 GLY HA3 H 1 3.750 0.03 . 2 . . . . 187 GLY HA3 . 18228 1 1606 . 1 1 162 162 GLY CA C 13 47.621 0.50 . 1 . . . . 187 GLY CA . 18228 1 1607 . 1 1 162 162 GLY N N 15 108.921 0.25 . 1 . . . . 187 GLY N . 18228 1 1608 . 1 1 163 163 LEU H H 1 8.130 0.03 . 1 . . . . 188 LEU H . 18228 1 1609 . 1 1 163 163 LEU HA H 1 4.006 0.03 . 1 . . . . 188 LEU HA . 18228 1 1610 . 1 1 163 163 LEU HB2 H 1 1.800 0.03 . 1 . . . . 188 LEU HB2 . 18228 1 1611 . 1 1 163 163 LEU HB3 H 1 1.067 0.03 . 1 . . . . 188 LEU HB3 . 18228 1 1612 . 1 1 163 163 LEU HG H 1 1.594 0.03 . 1 . . . . 188 LEU HG . 18228 1 1613 . 1 1 163 163 LEU HD11 H 1 0.760 0.03 . 1 . . . . 188 LEU HD1 . 18228 1 1614 . 1 1 163 163 LEU HD12 H 1 0.760 0.03 . 1 . . . . 188 LEU HD1 . 18228 1 1615 . 1 1 163 163 LEU HD13 H 1 0.760 0.03 . 1 . . . . 188 LEU HD1 . 18228 1 1616 . 1 1 163 163 LEU HD21 H 1 0.666 0.03 . 1 . . . . 188 LEU HD2 . 18228 1 1617 . 1 1 163 163 LEU HD22 H 1 0.666 0.03 . 1 . . . . 188 LEU HD2 . 18228 1 1618 . 1 1 163 163 LEU HD23 H 1 0.666 0.03 . 1 . . . . 188 LEU HD2 . 18228 1 1619 . 1 1 163 163 LEU CA C 13 58.288 0.50 . 1 . . . . 188 LEU CA . 18228 1 1620 . 1 1 163 163 LEU CB C 13 43.156 0.50 . 1 . . . . 188 LEU CB . 18228 1 1621 . 1 1 163 163 LEU CG C 13 28.025 0.50 . 1 . . . . 188 LEU CG . 18228 1 1622 . 1 1 163 163 LEU CD1 C 13 24.553 0.50 . 1 . . . . 188 LEU CD1 . 18228 1 1623 . 1 1 163 163 LEU CD2 C 13 23.560 0.50 . 1 . . . . 188 LEU CD2 . 18228 1 1624 . 1 1 163 163 LEU N N 15 123.296 0.25 . 1 . . . . 188 LEU N . 18228 1 1625 . 1 1 164 164 ARG H H 1 8.254 0.03 . 1 . . . . 189 ARG H . 18228 1 1626 . 1 1 164 164 ARG HA H 1 3.730 0.03 . 1 . . . . 189 ARG HA . 18228 1 1627 . 1 1 164 164 ARG HB2 H 1 1.776 0.03 . 1 . . . . 189 ARG HB2 . 18228 1 1628 . 1 1 164 164 ARG HB3 H 1 1.614 0.03 . 1 . . . . 189 ARG HB3 . 18228 1 1629 . 1 1 164 164 ARG HG2 H 1 1.614 0.03 . 1 . . . . 189 ARG HG2 . 18228 1 1630 . 1 1 164 164 ARG HG3 H 1 1.451 0.03 . 1 . . . . 189 ARG HG3 . 18228 1 1631 . 1 1 164 164 ARG HD2 H 1 3.101 0.03 . 2 . . . . 189 ARG HD2 . 18228 1 1632 . 1 1 164 164 ARG HD3 H 1 3.101 0.03 . 2 . . . . 189 ARG HD3 . 18228 1 1633 . 1 1 164 164 ARG CA C 13 60.395 0.50 . 1 . . . . 189 ARG CA . 18228 1 1634 . 1 1 164 164 ARG CB C 13 31.126 0.50 . 1 . . . . 189 ARG CB . 18228 1 1635 . 1 1 164 164 ARG CG C 13 28.646 0.50 . 1 . . . . 189 ARG CG . 18228 1 1636 . 1 1 164 164 ARG CD C 13 43.653 0.50 . 1 . . . . 189 ARG CD . 18228 1 1637 . 1 1 164 164 ARG N N 15 117.477 0.25 . 1 . . . . 189 ARG N . 18228 1 1638 . 1 1 165 165 LEU H H 1 7.816 0.03 . 1 . . . . 190 LEU H . 18228 1 1639 . 1 1 165 165 LEU HA H 1 4.024 0.03 . 1 . . . . 190 LEU HA . 18228 1 1640 . 1 1 165 165 LEU HB2 H 1 1.675 0.03 . 1 . . . . 190 LEU HB2 . 18228 1 1641 . 1 1 165 165 LEU HB3 H 1 1.534 0.03 . 1 . . . . 190 LEU HB3 . 18228 1 1642 . 1 1 165 165 LEU HG H 1 1.533 0.03 . 1 . . . . 190 LEU HG . 18228 1 1643 . 1 1 165 165 LEU HD11 H 1 0.782 0.03 . 1 . . . . 190 LEU HD1 . 18228 1 1644 . 1 1 165 165 LEU HD12 H 1 0.782 0.03 . 1 . . . . 190 LEU HD1 . 18228 1 1645 . 1 1 165 165 LEU HD13 H 1 0.782 0.03 . 1 . . . . 190 LEU HD1 . 18228 1 1646 . 1 1 165 165 LEU HD21 H 1 0.782 0.03 . 1 . . . . 190 LEU HD2 . 18228 1 1647 . 1 1 165 165 LEU HD22 H 1 0.782 0.03 . 1 . . . . 190 LEU HD2 . 18228 1 1648 . 1 1 165 165 LEU HD23 H 1 0.782 0.03 . 1 . . . . 190 LEU HD2 . 18228 1 1649 . 1 1 165 165 LEU CA C 13 58.040 0.50 . 1 . . . . 190 LEU CA . 18228 1 1650 . 1 1 165 165 LEU CB C 13 41.544 0.50 . 1 . . . . 190 LEU CB . 18228 1 1651 . 1 1 165 165 LEU CG C 13 27.033 0.50 . 1 . . . . 190 LEU CG . 18228 1 1652 . 1 1 165 165 LEU CD1 C 13 24.181 0.50 . 1 . . . . 190 LEU CD1 . 18228 1 1653 . 1 1 165 165 LEU CD2 C 13 23.685 0.50 . 1 . . . . 190 LEU CD2 . 18228 1 1654 . 1 1 165 165 LEU N N 15 120.702 0.25 . 1 . . . . 190 LEU N . 18228 1 1655 . 1 1 166 166 ALA HA H 1 4.079 0.03 . 1 . . . . 191 ALA HA . 18228 1 1656 . 1 1 166 166 ALA HB1 H 1 1.360 0.03 . 1 . . . . 191 ALA HB . 18228 1 1657 . 1 1 166 166 ALA HB2 H 1 1.360 0.03 . 1 . . . . 191 ALA HB . 18228 1 1658 . 1 1 166 166 ALA HB3 H 1 1.360 0.03 . 1 . . . . 191 ALA HB . 18228 1 1659 . 1 1 166 166 ALA CA C 13 54.567 0.50 . 1 . . . . 191 ALA CA . 18228 1 1660 . 1 1 166 166 ALA CB C 13 18.599 0.50 . 1 . . . . 191 ALA CB . 18228 1 1661 . 1 1 167 167 MET H H 1 8.002 0.03 . 1 . . . . 192 MET H . 18228 1 1662 . 1 1 167 167 MET HA H 1 4.184 0.03 . 1 . . . . 192 MET HA . 18228 1 1663 . 1 1 167 167 MET HB2 H 1 1.878 0.03 . 2 . . . . 192 MET HB2 . 18228 1 1664 . 1 1 167 167 MET HB3 H 1 1.878 0.03 . 2 . . . . 192 MET HB3 . 18228 1 1665 . 1 1 167 167 MET HG2 H 1 2.431 0.03 . 2 . . . . 192 MET HG2 . 18228 1 1666 . 1 1 167 167 MET HG3 H 1 2.431 0.03 . 2 . . . . 192 MET HG3 . 18228 1 1667 . 1 1 167 167 MET CA C 13 56.303 0.50 . 1 . . . . 192 MET CA . 18228 1 1668 . 1 1 167 167 MET CB C 13 31.623 0.50 . 1 . . . . 192 MET CB . 18228 1 1669 . 1 1 167 167 MET CG C 13 33.234 0.50 . 1 . . . . 192 MET CG . 18228 1 1670 . 1 1 167 167 MET N N 15 117.086 0.25 . 1 . . . . 192 MET N . 18228 1 1671 . 1 1 168 168 ALA H H 1 7.591 0.03 . 1 . . . . 193 ALA H . 18228 1 1672 . 1 1 168 168 ALA HA H 1 4.149 0.03 . 1 . . . . 193 ALA HA . 18228 1 1673 . 1 1 168 168 ALA HB1 H 1 1.404 0.03 . 1 . . . . 193 ALA HB . 18228 1 1674 . 1 1 168 168 ALA HB2 H 1 1.404 0.03 . 1 . . . . 193 ALA HB . 18228 1 1675 . 1 1 168 168 ALA HB3 H 1 1.404 0.03 . 1 . . . . 193 ALA HB . 18228 1 1676 . 1 1 168 168 ALA CA C 13 53.823 0.50 . 1 . . . . 193 ALA CA . 18228 1 1677 . 1 1 168 168 ALA CB C 13 18.228 0.50 . 1 . . . . 193 ALA CB . 18228 1 1678 . 1 1 168 168 ALA N N 15 121.267 0.25 . 1 . . . . 193 ALA N . 18228 1 1679 . 1 1 169 169 ASN H H 1 7.972 0.03 . 1 . . . . 194 ASN H . 18228 1 1680 . 1 1 169 169 ASN HA H 1 4.634 0.03 . 1 . . . . 194 ASN HA . 18228 1 1681 . 1 1 169 169 ASN HB2 H 1 2.821 0.03 . 1 . . . . 194 ASN HB2 . 18228 1 1682 . 1 1 169 169 ASN HB3 H 1 2.740 0.03 . 1 . . . . 194 ASN HB3 . 18228 1 1683 . 1 1 169 169 ASN HD21 H 1 7.462 0.03 . 1 . . . . 194 ASN HD21 . 18228 1 1684 . 1 1 169 169 ASN HD22 H 1 6.806 0.03 . 1 . . . . 194 ASN HD22 . 18228 1 1685 . 1 1 169 169 ASN CA C 13 53.450 0.50 . 1 . . . . 194 ASN CA . 18228 1 1686 . 1 1 169 169 ASN CB C 13 39.188 0.50 . 1 . . . . 194 ASN CB . 18228 1 1687 . 1 1 169 169 ASN N N 15 115.484 0.25 . 1 . . . . 194 ASN N . 18228 1 1688 . 1 1 169 169 ASN ND2 N 15 111.859 0.25 . 1 . . . . 194 ASN ND2 . 18228 1 1689 . 1 1 170 170 GLY H H 1 7.971 0.03 . 1 . . . . 195 GLY H . 18228 1 1690 . 1 1 170 170 GLY HA2 H 1 3.895 0.03 . 2 . . . . 195 GLY HA2 . 18228 1 1691 . 1 1 170 170 GLY HA3 H 1 3.895 0.03 . 2 . . . . 195 GLY HA3 . 18228 1 1692 . 1 1 170 170 GLY CA C 13 45.885 0.50 . 1 . . . . 195 GLY CA . 18228 1 1693 . 1 1 170 170 GLY N N 15 108.325 0.25 . 1 . . . . 195 GLY N . 18228 1 1694 . 1 1 171 171 GLU H H 1 8.160 0.03 . 1 . . . . 196 GLU H . 18228 1 1695 . 1 1 171 171 GLU HA H 1 4.209 0.03 . 1 . . . . 196 GLU HA . 18228 1 1696 . 1 1 171 171 GLU HB2 H 1 1.979 0.03 . 1 . . . . 196 GLU HB2 . 18228 1 1697 . 1 1 171 171 GLU HB3 H 1 1.876 0.03 . 1 . . . . 196 GLU HB3 . 18228 1 1698 . 1 1 171 171 GLU HG2 H 1 2.177 0.03 . 2 . . . . 196 GLU HG2 . 18228 1 1699 . 1 1 171 171 GLU HG3 H 1 2.177 0.03 . 2 . . . . 196 GLU HG3 . 18228 1 1700 . 1 1 171 171 GLU CA C 13 56.489 0.50 . 1 . . . . 196 GLU CA . 18228 1 1701 . 1 1 171 171 GLU CB C 13 30.134 0.50 . 1 . . . . 196 GLU CB . 18228 1 1702 . 1 1 171 171 GLU CG C 13 36.087 0.50 . 1 . . . . 196 GLU CG . 18228 1 1703 . 1 1 171 171 GLU N N 15 120.091 0.25 . 1 . . . . 196 GLU N . 18228 1 1704 . 1 1 172 172 CYS H H 1 8.416 0.03 . 1 . . . . 197 CYS H . 18228 1 1705 . 1 1 172 172 CYS HA H 1 4.355 0.03 . 1 . . . . 197 CYS HA . 18228 1 1706 . 1 1 172 172 CYS HB2 H 1 2.844 0.03 . 2 . . . . 197 CYS HB2 . 18228 1 1707 . 1 1 172 172 CYS HB3 H 1 2.844 0.03 . 2 . . . . 197 CYS HB3 . 18228 1 1708 . 1 1 172 172 CYS CA C 13 58.907 0.50 . 1 . . . . 197 CYS CA . 18228 1 1709 . 1 1 172 172 CYS CB C 13 27.654 0.50 . 1 . . . . 197 CYS CB . 18228 1 1710 . 1 1 172 172 CYS N N 15 119.414 0.25 . 1 . . . . 197 CYS N . 18228 1 1711 . 1 1 173 173 SER H H 1 8.105 0.03 . 1 . . . . 198 SER H . 18228 1 1712 . 1 1 173 173 SER N N 15 117.643 0.25 . 1 . . . . 198 SER N . 18228 1 1713 . 1 1 174 174 PRO HA H 1 4.318 0.03 . 1 . . . . 199 PRO HA . 18228 1 1714 . 1 1 174 174 PRO HB2 H 1 2.156 0.03 . 1 . . . . 199 PRO HB2 . 18228 1 1715 . 1 1 174 174 PRO HB3 H 1 1.857 0.03 . 1 . . . . 199 PRO HB3 . 18228 1 1716 . 1 1 174 174 PRO HG2 H 1 1.844 0.03 . 2 . . . . 199 PRO HG2 . 18228 1 1717 . 1 1 174 174 PRO HG3 H 1 1.844 0.03 . 2 . . . . 199 PRO HG3 . 18228 1 1718 . 1 1 174 174 PRO HD2 H 1 3.671 0.03 . 2 . . . . 199 PRO HD2 . 18228 1 1719 . 1 1 174 174 PRO HD3 H 1 3.671 0.03 . 2 . . . . 199 PRO HD3 . 18228 1 1720 . 1 1 174 174 PRO CA C 13 63.497 0.50 . 1 . . . . 199 PRO CA . 18228 1 1721 . 1 1 174 174 PRO CB C 13 31.994 0.50 . 1 . . . . 199 PRO CB . 18228 1 1722 . 1 1 174 174 PRO CG C 13 27.158 0.50 . 1 . . . . 199 PRO CG . 18228 1 1723 . 1 1 174 174 PRO CD C 13 49.978 0.50 . 1 . . . . 199 PRO CD . 18228 1 1724 . 1 1 175 175 SER H H 1 8.222 0.03 . 1 . . . . 200 SER H . 18228 1 1725 . 1 1 175 175 SER HA H 1 4.279 0.03 . 1 . . . . 200 SER HA . 18228 1 1726 . 1 1 175 175 SER HB2 H 1 3.791 0.03 . 1 . . . . 200 SER HB2 . 18228 1 1727 . 1 1 175 175 SER HB3 H 1 3.731 0.03 . 1 . . . . 200 SER HB3 . 18228 1 1728 . 1 1 175 175 SER CA C 13 58.288 0.50 . 1 . . . . 200 SER CA . 18228 1 1729 . 1 1 175 175 SER CB C 13 63.249 0.50 . 1 . . . . 200 SER CB . 18228 1 1730 . 1 1 175 175 SER N N 15 115.525 0.25 . 1 . . . . 200 SER N . 18228 1 1731 . 1 1 176 176 ARG H H 1 8.146 0.03 . 1 . . . . 201 ARG H . 18228 1 1732 . 1 1 176 176 ARG HA H 1 4.108 0.03 . 1 . . . . 201 ARG HA . 18228 1 1733 . 1 1 176 176 ARG HB2 H 1 1.551 0.03 . 2 . . . . 201 ARG HB2 . 18228 1 1734 . 1 1 176 176 ARG HB3 H 1 1.551 0.03 . 2 . . . . 201 ARG HB3 . 18228 1 1735 . 1 1 176 176 ARG HG2 H 1 1.260 0.03 . 2 . . . . 201 ARG HG2 . 18228 1 1736 . 1 1 176 176 ARG HG3 H 1 1.260 0.03 . 2 . . . . 201 ARG HG3 . 18228 1 1737 . 1 1 176 176 ARG HD2 H 1 2.982 0.03 . 2 . . . . 201 ARG HD2 . 18228 1 1738 . 1 1 176 176 ARG HD3 H 1 2.982 0.03 . 2 . . . . 201 ARG HD3 . 18228 1 1739 . 1 1 176 176 ARG CA C 13 56.427 0.50 . 1 . . . . 201 ARG CA . 18228 1 1740 . 1 1 176 176 ARG CB C 13 30.134 0.50 . 1 . . . . 201 ARG CB . 18228 1 1741 . 1 1 176 176 ARG CG C 13 26.662 0.50 . 1 . . . . 201 ARG CG . 18228 1 1742 . 1 1 176 176 ARG CD C 13 43.032 0.50 . 1 . . . . 201 ARG CD . 18228 1 1743 . 1 1 176 176 ARG N N 15 122.400 0.25 . 1 . . . . 201 ARG N . 18228 1 1744 . 1 1 177 177 PHE H H 1 7.939 0.03 . 1 . . . . 202 PHE H . 18228 1 1745 . 1 1 177 177 PHE HA H 1 4.519 0.03 . 1 . . . . 202 PHE HA . 18228 1 1746 . 1 1 177 177 PHE HB2 H 1 3.102 0.03 . 1 . . . . 202 PHE HB2 . 18228 1 1747 . 1 1 177 177 PHE HB3 H 1 2.826 0.03 . 1 . . . . 202 PHE HB3 . 18228 1 1748 . 1 1 177 177 PHE HD1 H 1 7.180 0.03 . 3 . . . . 202 PHE HD1 . 18228 1 1749 . 1 1 177 177 PHE HD2 H 1 7.180 0.03 . 3 . . . . 202 PHE HD2 . 18228 1 1750 . 1 1 177 177 PHE HE1 H 1 7.257 0.03 . 3 . . . . 202 PHE HE1 . 18228 1 1751 . 1 1 177 177 PHE HE2 H 1 7.257 0.03 . 3 . . . . 202 PHE HE2 . 18228 1 1752 . 1 1 177 177 PHE CA C 13 57.419 0.50 . 1 . . . . 202 PHE CA . 18228 1 1753 . 1 1 177 177 PHE CB C 13 39.188 0.50 . 1 . . . . 202 PHE CB . 18228 1 1754 . 1 1 177 177 PHE N N 15 119.544 0.25 . 1 . . . . 202 PHE N . 18228 1 1755 . 1 1 178 178 ALA H H 1 7.968 0.03 . 1 . . . . 203 ALA H . 18228 1 1756 . 1 1 178 178 ALA HA H 1 4.704 0.03 . 1 . . . . 203 ALA HA . 18228 1 1757 . 1 1 178 178 ALA HB1 H 1 1.292 0.03 . 1 . . . . 203 ALA HB . 18228 1 1758 . 1 1 178 178 ALA HB2 H 1 1.292 0.03 . 1 . . . . 203 ALA HB . 18228 1 1759 . 1 1 178 178 ALA HB3 H 1 1.292 0.03 . 1 . . . . 203 ALA HB . 18228 1 1760 . 1 1 178 178 ALA CA C 13 52.458 0.50 . 1 . . . . 203 ALA CA . 18228 1 1761 . 1 1 178 178 ALA CB C 13 19.343 0.50 . 1 . . . . 203 ALA CB . 18228 1 1762 . 1 1 178 178 ALA N N 15 124.237 0.25 . 1 . . . . 203 ALA N . 18228 1 1763 . 1 1 179 179 LEU HB2 H 1 2.811 0.03 . 2 . . . . 204 LEU HB2 . 18228 1 1764 . 1 1 179 179 LEU HB3 H 1 2.811 0.03 . 2 . . . . 204 LEU HB3 . 18228 1 1765 . 1 1 179 179 LEU HG H 1 1.477 0.03 . 1 . . . . 204 LEU HG . 18228 1 1766 . 1 1 179 179 LEU HD11 H 1 0.854 0.03 . 1 . . . . 204 LEU HD1 . 18228 1 1767 . 1 1 179 179 LEU HD12 H 1 0.854 0.03 . 1 . . . . 204 LEU HD1 . 18228 1 1768 . 1 1 179 179 LEU HD13 H 1 0.854 0.03 . 1 . . . . 204 LEU HD1 . 18228 1 1769 . 1 1 179 179 LEU HD21 H 1 0.595 0.03 . 1 . . . . 204 LEU HD2 . 18228 1 1770 . 1 1 179 179 LEU HD22 H 1 0.595 0.03 . 1 . . . . 204 LEU HD2 . 18228 1 1771 . 1 1 179 179 LEU HD23 H 1 0.595 0.03 . 1 . . . . 204 LEU HD2 . 18228 1 1772 . 1 1 179 179 LEU CB C 13 42.040 0.50 . 1 . . . . 204 LEU CB . 18228 1 1773 . 1 1 179 179 LEU CG C 13 28.646 0.50 . 1 . . . . 204 LEU CG . 18228 1 1774 . 1 1 179 179 LEU CD1 C 13 24.677 0.50 . 1 . . . . 204 LEU CD1 . 18228 1 1775 . 1 1 179 179 LEU CD2 C 13 24.677 0.50 . 1 . . . . 204 LEU CD2 . 18228 1 1776 . 1 1 180 180 CYS H H 1 8.067 0.03 . 1 . . . . 205 CYS H . 18228 1 1777 . 1 1 180 180 CYS HA H 1 4.300 0.03 . 1 . . . . 205 CYS HA . 18228 1 1778 . 1 1 180 180 CYS HB2 H 1 2.779 0.03 . 2 . . . . 205 CYS HB2 . 18228 1 1779 . 1 1 180 180 CYS HB3 H 1 2.779 0.03 . 2 . . . . 205 CYS HB3 . 18228 1 1780 . 1 1 180 180 CYS CA C 13 58.784 0.50 . 1 . . . . 205 CYS CA . 18228 1 1781 . 1 1 180 180 CYS CB C 13 27.529 0.50 . 1 . . . . 205 CYS CB . 18228 1 1782 . 1 1 180 180 CYS N N 15 118.589 0.25 . 1 . . . . 205 CYS N . 18228 1 1783 . 1 1 181 181 HIS HA H 1 4.602 0.03 . 1 . . . . 206 HIS HA . 18228 1 1784 . 1 1 181 181 HIS HB2 H 1 3.152 0.03 . 2 . . . . 206 HIS HB2 . 18228 1 1785 . 1 1 181 181 HIS HB3 H 1 3.152 0.03 . 2 . . . . 206 HIS HB3 . 18228 1 1786 . 1 1 181 181 HIS CA C 13 56.551 0.50 . 1 . . . . 206 HIS CA . 18228 1 1787 . 1 1 181 181 HIS CB C 13 30.506 0.50 . 1 . . . . 206 HIS CB . 18228 1 1788 . 1 1 182 182 VAL H H 1 7.855 0.03 . 1 . . . . 207 VAL H . 18228 1 1789 . 1 1 182 182 VAL HA H 1 3.859 0.03 . 1 . . . . 207 VAL HA . 18228 1 1790 . 1 1 182 182 VAL HB H 1 1.933 0.03 . 1 . . . . 207 VAL HB . 18228 1 1791 . 1 1 182 182 VAL HG11 H 1 0.774 0.03 . 1 . . . . 207 VAL HG1 . 18228 1 1792 . 1 1 182 182 VAL HG12 H 1 0.774 0.03 . 1 . . . . 207 VAL HG1 . 18228 1 1793 . 1 1 182 182 VAL HG13 H 1 0.774 0.03 . 1 . . . . 207 VAL HG1 . 18228 1 1794 . 1 1 182 182 VAL HG21 H 1 0.774 0.03 . 1 . . . . 207 VAL HG2 . 18228 1 1795 . 1 1 182 182 VAL HG22 H 1 0.774 0.03 . 1 . . . . 207 VAL HG2 . 18228 1 1796 . 1 1 182 182 VAL HG23 H 1 0.774 0.03 . 1 . . . . 207 VAL HG2 . 18228 1 1797 . 1 1 182 182 VAL CA C 13 63.249 0.50 . 1 . . . . 207 VAL CA . 18228 1 1798 . 1 1 182 182 VAL CB C 13 32.242 0.50 . 1 . . . . 207 VAL CB . 18228 1 1799 . 1 1 182 182 VAL CG1 C 13 20.584 0.50 . 1 . . . . 207 VAL CG1 . 18228 1 1800 . 1 1 182 182 VAL CG2 C 13 18.599 0.50 . 1 . . . . 207 VAL CG2 . 18228 1 1801 . 1 1 182 182 VAL N N 15 121.438 0.25 . 1 . . . . 207 VAL N . 18228 1 1802 . 1 1 183 183 ARG H H 1 8.321 0.03 . 1 . . . . 208 ARG H . 18228 1 1803 . 1 1 183 183 ARG HA H 1 4.129 0.03 . 1 . . . . 208 ARG HA . 18228 1 1804 . 1 1 183 183 ARG HB2 H 1 1.576 0.03 . 2 . . . . 208 ARG HB2 . 18228 1 1805 . 1 1 183 183 ARG HB3 H 1 1.576 0.03 . 2 . . . . 208 ARG HB3 . 18228 1 1806 . 1 1 183 183 ARG HG2 H 1 1.474 0.03 . 2 . . . . 208 ARG HG2 . 18228 1 1807 . 1 1 183 183 ARG HG3 H 1 1.474 0.03 . 2 . . . . 208 ARG HG3 . 18228 1 1808 . 1 1 183 183 ARG HD2 H 1 3.066 0.03 . 2 . . . . 208 ARG HD2 . 18228 1 1809 . 1 1 183 183 ARG HD3 H 1 3.066 0.03 . 2 . . . . 208 ARG HD3 . 18228 1 1810 . 1 1 183 183 ARG CA C 13 56.551 0.50 . 1 . . . . 208 ARG CA . 18228 1 1811 . 1 1 183 183 ARG CB C 13 30.134 0.50 . 1 . . . . 208 ARG CB . 18228 1 1812 . 1 1 183 183 ARG CG C 13 27.158 0.50 . 1 . . . . 208 ARG CG . 18228 1 1813 . 1 1 183 183 ARG CD C 13 43.032 0.50 . 1 . . . . 208 ARG CD . 18228 1 1814 . 1 1 183 183 ARG N N 15 123.886 0.25 . 1 . . . . 208 ARG N . 18228 1 1815 . 1 1 184 184 GLU H H 1 8.343 0.03 . 1 . . . . 209 GLU H . 18228 1 1816 . 1 1 184 184 GLU HA H 1 4.084 0.03 . 1 . . . . 209 GLU HA . 18228 1 1817 . 1 1 184 184 GLU HB2 H 1 1.908 0.03 . 2 . . . . 209 GLU HB2 . 18228 1 1818 . 1 1 184 184 GLU HB3 H 1 1.908 0.03 . 2 . . . . 209 GLU HB3 . 18228 1 1819 . 1 1 184 184 GLU HG2 H 1 2.182 0.03 . 2 . . . . 209 GLU HG2 . 18228 1 1820 . 1 1 184 184 GLU HG3 H 1 2.182 0.03 . 2 . . . . 209 GLU HG3 . 18228 1 1821 . 1 1 184 184 GLU CA C 13 57.419 0.50 . 1 . . . . 209 GLU CA . 18228 1 1822 . 1 1 184 184 GLU CB C 13 29.762 0.50 . 1 . . . . 209 GLU CB . 18228 1 1823 . 1 1 184 184 GLU CG C 13 36.707 0.50 . 1 . . . . 209 GLU CG . 18228 1 1824 . 1 1 184 184 GLU N N 15 121.246 0.25 . 1 . . . . 209 GLU N . 18228 1 1825 . 1 1 185 185 TRP H H 1 7.977 0.03 . 1 . . . . 210 TRP H . 18228 1 1826 . 1 1 185 185 TRP HA H 1 4.475 0.03 . 1 . . . . 210 TRP HA . 18228 1 1827 . 1 1 185 185 TRP HB2 H 1 3.187 0.03 . 2 . . . . 210 TRP HB2 . 18228 1 1828 . 1 1 185 185 TRP HB3 H 1 3.187 0.03 . 2 . . . . 210 TRP HB3 . 18228 1 1829 . 1 1 185 185 TRP HD1 H 1 7.344 0.03 . 1 . . . . 210 TRP HD1 . 18228 1 1830 . 1 1 185 185 TRP HE1 H 1 10.085 0.03 . 1 . . . . 210 TRP HE1 . 18228 1 1831 . 1 1 185 185 TRP HZ2 H 1 7.132 0.03 . 1 . . . . 210 TRP HZ2 . 18228 1 1832 . 1 1 185 185 TRP CA C 13 57.915 0.50 . 1 . . . . 210 TRP CA . 18228 1 1833 . 1 1 185 185 TRP CB C 13 29.142 0.50 . 1 . . . . 210 TRP CB . 18228 1 1834 . 1 1 185 185 TRP N N 15 121.095 0.25 . 1 . . . . 210 TRP N . 18228 1 1835 . 1 1 185 185 TRP NE1 N 15 129.654 0.25 . 1 . . . . 210 TRP NE1 . 18228 1 1836 . 1 1 186 186 MET H H 1 7.848 0.03 . 1 . . . . 211 MET H . 18228 1 1837 . 1 1 186 186 MET HA H 1 4.127 0.03 . 1 . . . . 211 MET HA . 18228 1 1838 . 1 1 186 186 MET HB2 H 1 1.765 0.03 . 2 . . . . 211 MET HB2 . 18228 1 1839 . 1 1 186 186 MET HB3 H 1 1.765 0.03 . 2 . . . . 211 MET HB3 . 18228 1 1840 . 1 1 186 186 MET HG2 H 1 2.224 0.03 . 2 . . . . 211 MET HG2 . 18228 1 1841 . 1 1 186 186 MET HG3 H 1 2.224 0.03 . 2 . . . . 211 MET HG3 . 18228 1 1842 . 1 1 186 186 MET CA C 13 55.931 0.50 . 1 . . . . 211 MET CA . 18228 1 1843 . 1 1 186 186 MET CB C 13 32.119 0.50 . 1 . . . . 211 MET CB . 18228 1 1844 . 1 1 186 186 MET CG C 13 31.623 0.50 . 1 . . . . 211 MET CG . 18228 1 1845 . 1 1 186 186 MET N N 15 121.218 0.25 . 1 . . . . 211 MET N . 18228 1 1846 . 1 1 187 187 ALA H H 1 7.891 0.03 . 1 . . . . 212 ALA H . 18228 1 1847 . 1 1 187 187 ALA HA H 1 4.065 0.03 . 1 . . . . 212 ALA HA . 18228 1 1848 . 1 1 187 187 ALA HB1 H 1 1.293 0.03 . 1 . . . . 212 ALA HB . 18228 1 1849 . 1 1 187 187 ALA HB2 H 1 1.293 0.03 . 1 . . . . 212 ALA HB . 18228 1 1850 . 1 1 187 187 ALA HB3 H 1 1.293 0.03 . 1 . . . . 212 ALA HB . 18228 1 1851 . 1 1 187 187 ALA CA C 13 53.079 0.50 . 1 . . . . 212 ALA CA . 18228 1 1852 . 1 1 187 187 ALA CB C 13 18.847 0.50 . 1 . . . . 212 ALA CB . 18228 1 1853 . 1 1 187 187 ALA N N 15 123.909 0.25 . 1 . . . . 212 ALA N . 18228 1 1854 . 1 1 188 188 GLN H H 1 8.050 0.03 . 1 . . . . 213 GLN H . 18228 1 1855 . 1 1 188 188 GLN HA H 1 4.150 0.03 . 1 . . . . 213 GLN HA . 18228 1 1856 . 1 1 188 188 GLN HB2 H 1 1.990 0.03 . 1 . . . . 213 GLN HB2 . 18228 1 1857 . 1 1 188 188 GLN HB3 H 1 1.881 0.03 . 1 . . . . 213 GLN HB3 . 18228 1 1858 . 1 1 188 188 GLN HG2 H 1 2.280 0.03 . 2 . . . . 213 GLN HG2 . 18228 1 1859 . 1 1 188 188 GLN HG3 H 1 2.280 0.03 . 2 . . . . 213 GLN HG3 . 18228 1 1860 . 1 1 188 188 GLN CA C 13 55.931 0.50 . 1 . . . . 213 GLN CA . 18228 1 1861 . 1 1 188 188 GLN CB C 13 29.266 0.50 . 1 . . . . 213 GLN CB . 18228 1 1862 . 1 1 188 188 GLN CG C 13 33.482 0.50 . 1 . . . . 213 GLN CG . 18228 1 1863 . 1 1 188 188 GLN N N 15 118.531 0.25 . 1 . . . . 213 GLN N . 18228 1 1864 . 1 1 189 189 ALA H H 1 8.103 0.03 . 1 . . . . 214 ALA H . 18228 1 1865 . 1 1 189 189 ALA HA H 1 4.194 0.03 . 1 . . . . 214 ALA HA . 18228 1 1866 . 1 1 189 189 ALA HB1 H 1 1.286 0.03 . 1 . . . . 214 ALA HB . 18228 1 1867 . 1 1 189 189 ALA HB2 H 1 1.286 0.03 . 1 . . . . 214 ALA HB . 18228 1 1868 . 1 1 189 189 ALA HB3 H 1 1.286 0.03 . 1 . . . . 214 ALA HB . 18228 1 1869 . 1 1 189 189 ALA CA C 13 52.954 0.50 . 1 . . . . 214 ALA CA . 18228 1 1870 . 1 1 189 189 ALA CB C 13 19.095 0.50 . 1 . . . . 214 ALA CB . 18228 1 1871 . 1 1 189 189 ALA N N 15 124.670 0.25 . 1 . . . . 214 ALA N . 18228 1 1872 . 1 1 190 190 LEU H H 1 8.040 0.03 . 1 . . . . 215 LEU H . 18228 1 1873 . 1 1 190 190 LEU HA H 1 4.214 0.03 . 1 . . . . 215 LEU HA . 18228 1 1874 . 1 1 190 190 LEU HB2 H 1 1.550 0.03 . 1 . . . . 215 LEU HB2 . 18228 1 1875 . 1 1 190 190 LEU HB3 H 1 1.475 0.03 . 1 . . . . 215 LEU HB3 . 18228 1 1876 . 1 1 190 190 LEU HG H 1 1.543 0.03 . 1 . . . . 215 LEU HG . 18228 1 1877 . 1 1 190 190 LEU HD11 H 1 0.818 0.03 . 1 . . . . 215 LEU HD1 . 18228 1 1878 . 1 1 190 190 LEU HD12 H 1 0.818 0.03 . 1 . . . . 215 LEU HD1 . 18228 1 1879 . 1 1 190 190 LEU HD13 H 1 0.818 0.03 . 1 . . . . 215 LEU HD1 . 18228 1 1880 . 1 1 190 190 LEU HD21 H 1 0.768 0.03 . 1 . . . . 215 LEU HD2 . 18228 1 1881 . 1 1 190 190 LEU HD22 H 1 0.768 0.03 . 1 . . . . 215 LEU HD2 . 18228 1 1882 . 1 1 190 190 LEU HD23 H 1 0.768 0.03 . 1 . . . . 215 LEU HD2 . 18228 1 1883 . 1 1 190 190 LEU CA C 13 54.938 0.50 . 1 . . . . 215 LEU CA . 18228 1 1884 . 1 1 190 190 LEU CB C 13 42.164 0.50 . 1 . . . . 215 LEU CB . 18228 1 1885 . 1 1 190 190 LEU CG C 13 26.662 0.50 . 1 . . . . 215 LEU CG . 18228 1 1886 . 1 1 190 190 LEU CD1 C 13 24.553 0.50 . 1 . . . . 215 LEU CD1 . 18228 1 1887 . 1 1 190 190 LEU CD2 C 13 23.685 0.50 . 1 . . . . 215 LEU CD2 . 18228 1 1888 . 1 1 190 190 LEU N N 15 120.692 0.25 . 1 . . . . 215 LEU N . 18228 1 1889 . 1 1 191 191 ASP H H 1 8.153 0.03 . 1 . . . . 216 ASP H . 18228 1 1890 . 1 1 191 191 ASP HA H 1 4.480 0.03 . 1 . . . . 216 ASP HA . 18228 1 1891 . 1 1 191 191 ASP HB2 H 1 2.572 0.03 . 1 . . . . 216 ASP HB2 . 18228 1 1892 . 1 1 191 191 ASP HB3 H 1 2.517 0.03 . 1 . . . . 216 ASP HB3 . 18228 1 1893 . 1 1 191 191 ASP CA C 13 53.823 0.50 . 1 . . . . 216 ASP CA . 18228 1 1894 . 1 1 191 191 ASP CB C 13 41.048 0.50 . 1 . . . . 216 ASP CB . 18228 1 1895 . 1 1 191 191 ASP N N 15 120.436 0.25 . 1 . . . . 216 ASP N . 18228 1 1896 . 1 1 192 192 ARG H H 1 7.940 0.03 . 1 . . . . 217 ARG H . 18228 1 1897 . 1 1 192 192 ARG HA H 1 4.530 0.03 . 1 . . . . 217 ARG HA . 18228 1 1898 . 1 1 192 192 ARG HB2 H 1 1.773 0.03 . 1 . . . . 217 ARG HB2 . 18228 1 1899 . 1 1 192 192 ARG HB3 H 1 1.640 0.03 . 1 . . . . 217 ARG HB3 . 18228 1 1900 . 1 1 192 192 ARG HG2 H 1 1.564 0.03 . 2 . . . . 217 ARG HG2 . 18228 1 1901 . 1 1 192 192 ARG HG3 H 1 1.564 0.03 . 2 . . . . 217 ARG HG3 . 18228 1 1902 . 1 1 192 192 ARG HD2 H 1 3.109 0.03 . 2 . . . . 217 ARG HD2 . 18228 1 1903 . 1 1 192 192 ARG HD3 H 1 3.109 0.03 . 2 . . . . 217 ARG HD3 . 18228 1 1904 . 1 1 192 192 ARG CA C 13 53.450 0.50 . 1 . . . . 217 ARG CA . 18228 1 1905 . 1 1 192 192 ARG CB C 13 30.258 0.50 . 1 . . . . 217 ARG CB . 18228 1 1906 . 1 1 192 192 ARG CG C 13 26.785 0.50 . 1 . . . . 217 ARG CG . 18228 1 1907 . 1 1 192 192 ARG CD C 13 43.156 0.50 . 1 . . . . 217 ARG CD . 18228 1 1908 . 1 1 192 192 ARG N N 15 121.946 0.25 . 1 . . . . 217 ARG N . 18228 1 1909 . 1 1 193 193 PRO HA H 1 4.151 0.03 . 1 . . . . 218 PRO HA . 18228 1 1910 . 1 1 193 193 PRO HB2 H 1 2.124 0.03 . 1 . . . . 218 PRO HB2 . 18228 1 1911 . 1 1 193 193 PRO HB3 H 1 1.807 0.03 . 1 . . . . 218 PRO HB3 . 18228 1 1912 . 1 1 193 193 PRO HG2 H 1 1.869 0.03 . 2 . . . . 218 PRO HG2 . 18228 1 1913 . 1 1 193 193 PRO HG3 H 1 1.869 0.03 . 2 . . . . 218 PRO HG3 . 18228 1 1914 . 1 1 193 193 PRO HD2 H 1 3.596 0.03 . 1 . . . . 218 PRO HD2 . 18228 1 1915 . 1 1 193 193 PRO HD3 H 1 3.508 0.03 . 1 . . . . 218 PRO HD3 . 18228 1 1916 . 1 1 193 193 PRO CA C 13 64.737 0.50 . 1 . . . . 218 PRO CA . 18228 1 1917 . 1 1 193 193 PRO CB C 13 31.994 0.50 . 1 . . . . 218 PRO CB . 18228 1 1918 . 1 1 193 193 PRO CG C 13 27.281 0.50 . 1 . . . . 218 PRO CG . 18228 1 1919 . 1 1 193 193 PRO CD C 13 50.350 0.50 . 1 . . . . 218 PRO CD . 18228 1 stop_ save_