data_6074 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6074 _Entry.Title ; Backbone 1H, 13C and 15N resonance assignments for the 29kD Pseudomonas aeruginosa dimethylarginine dimethylaminohydrolase involved in nitric oxide synthase regulation ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-01-13 _Entry.Accession_date 2004-01-14 _Entry.Last_release_date 2004-07-06 _Entry.Original_release_date 2004-07-06 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Beatriz 'S. Magalhaes' . . . 6074 2 Richard Harris . . . 6074 3 Michael Plevin . J. . 6074 4 Paul Driscoll . C. . 6074 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6074 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 244 6074 '13C chemical shifts' 736 6074 '15N chemical shifts' 244 6074 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2004-07-06 2004-01-13 original author . 6074 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6074 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15213470 _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Backbone 1H, 13C and 15N resonance assignments for a 29kD Monomeric Variant of Pseudomonas aeruginosa dimethylarginine dimethylaminohydrolase ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 29 _Citation.Journal_issue 3 _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 463 _Citation.Page_last 464 _Citation.Year 2004 _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 Beatriz Magalhaes . S. . 6074 1 2 Richard Harris . . . 6074 1 3 Michael Plevin . J. . 6074 1 4 Paul Driscoll . C. . 6074 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_DDAH _Assembly.Sf_category assembly _Assembly.Sf_framecode system_DDAH _Assembly.Entry_ID 6074 _Assembly.ID 1 _Assembly.Name PaDDAH _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 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number 3.5.3.18 _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6074 1 stop_ 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 'PaDDAH protomer A' 1 $PaDDAH . . . native . . . . . 6074 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1H70 . . . . . ; Residue Arg-40 has been replaced by a Glu and residue Arg-98 has been replaced by a His in the molecule studied here. ; 6074 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID PaDDAH system 6074 1 DDAH abbreviation 6074 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'metabolism of asymmetric methylarginines' 6074 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PaDDAH _Entity.Sf_category entity _Entity.Sf_framecode PaDDAH _Entity.Entry_ID 6074 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Pseudomonas aeruginosa dimethylarginine dimethylaminohydrolase' _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 ; GAMDPEFMFKHIIARTPARS LVDGLTSSHLGKPDYAKALE QHNAYIEALQTCDVDITLLP PDERFPDSVFVEDPVLCTSR CAIITRPGAESRRGETEIIE ETVQHFYPGKVERIEAPGTV EAGDIMMVGDHFYIGESART NAEGARQMIAILEKHGLSGS VVRLEKVLHLKTGLAYLEHN NLLAAGEFVSKPEFQDFNII EIPEEESYAANCIWVNERVI MPAGYPRTREKIARLGYRVI EVDTSEYRKIDGGVSCMSLR F ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 261 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _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 29218 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; The molecule has two mutations (R40E and R98H) and an additional 7 N-terminal residues left after cleavage of the polyhistidine tag. ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 19615 . PaDDAH_TM . . . . . 97.32 254 99.61 99.61 0.00e+00 . . . . 6074 1 2 no BMRB 19616 . Dimethylarginine_Dimethylaminohydrolase . . . . . 97.32 254 99.61 99.61 0.00e+00 . . . . 6074 1 3 no BMRB 19742 . Psuedomonas_aeruginosa_Dimethylarginine_Dimethylaminohydrolase_DDAH . . . . . 97.32 254 100.00 100.00 0.00e+00 . . . . 6074 1 4 no BMRB 19743 . Psuedomonas_aeruginosa_Dimethylarginine_Dimethylaminohydrolase . . . . . 97.32 254 100.00 100.00 0.00e+00 . . . . 6074 1 5 no BMRB 19744 . PaDDAH . . . . . 97.32 254 100.00 100.00 0.00e+00 . . . . 6074 1 6 no PDB 1H70 . "Ddah From Pseudomonas Aeruginosa. C249s Mutant Complexed With Citrulline" . . . . . 97.70 255 98.82 98.82 0.00e+00 . . . . 6074 1 7 no PDB 3BPB . "Crystal Structure Of The Dimethylarginine Dimethylaminohydrolase H162g Adduct With S-Methyl-L- Thiocitrulline" . . . . . 97.32 254 98.82 98.82 0.00e+00 . . . . 6074 1 8 no PDB 3RHY . "Crystal Structure Of The Dimethylarginine Dimethylaminohydrolase Adduct With 4-Chloro-2-Hydroxymethylpyridine" . . . . . 97.32 254 99.21 99.21 0.00e+00 . . . . 6074 1 9 no DBJ BAK88928 . "hypothetical protein NCGM2_2069 [Pseudomonas aeruginosa NCGM2.S1]" . . . . . 97.32 254 99.21 99.21 0.00e+00 . . . . 6074 1 10 no DBJ BAP20511 . "hypothetical protein NCGM1900_1389 [Pseudomonas aeruginosa]" . . . . . 97.32 254 99.21 99.21 0.00e+00 . . . . 6074 1 11 no DBJ BAP52091 . "hypothetical protein NCGM1984_4129 [Pseudomonas aeruginosa]" . . . . . 97.32 254 99.21 99.21 0.00e+00 . . . . 6074 1 12 no DBJ GAA16731 . "putative dimethylarginine dimethylaminohydrolase [Pseudomonas aeruginosa NCMG1179]" . . . . . 97.32 254 99.21 99.21 0.00e+00 . . . . 6074 1 13 no DBJ GAJ52405 . "NG,NG-dimethylarginine dimethylaminohydrolase 1 [Pseudomonas aeruginosa RB]" . . . . . 97.32 254 99.21 99.21 0.00e+00 . . . . 6074 1 14 no EMBL CAW28868 . "putative dimethylarginine dimethylaminohydrolase [Pseudomonas aeruginosa LESB58]" . . . . . 97.32 254 99.21 99.21 0.00e+00 . . . . 6074 1 15 no EMBL CCQ86504 . "NG,NG-dimethylarginine dimethylaminohydrolase 1 [Pseudomonas aeruginosa 18A]" . . . . . 97.32 254 98.82 98.82 0.00e+00 . . . . 6074 1 16 no EMBL CDH72250 . "N(G), N(G)-dimethylargininedimethylaminohydrolase [Pseudomonas aeruginosa MH38]" . . . . . 97.32 254 99.21 99.21 0.00e+00 . . . . 6074 1 17 no EMBL CDH78521 . "N(G), N(G)-dimethylargininedimethylaminohydrolase [Pseudomonas aeruginosa MH27]" . . . . . 97.32 254 99.21 99.21 0.00e+00 . . . . 6074 1 18 no EMBL CDI89341 . "putative dimethylarginine dimethylaminohydrolase [Pseudomonas aeruginosa PA38182]" . . . . . 97.32 254 99.21 99.21 0.00e+00 . . . . 6074 1 19 no GB AAG04584 . "hypothetical protein PA1195 [Pseudomonas aeruginosa PAO1]" . . . . . 97.32 254 99.21 99.21 0.00e+00 . . . . 6074 1 20 no GB ABJ10379 . "putative dimethylarginine dimethylaminohydrolase [Pseudomonas aeruginosa UCBPP-PA14]" . . . . . 97.32 254 99.21 99.21 0.00e+00 . . . . 6074 1 21 no GB AEO76319 . "putative dimethylarginine dimethylaminohydrolase [Pseudomonas aeruginosa M18]" . . . . . 97.32 254 98.82 98.82 0.00e+00 . . . . 6074 1 22 no GB AFM66206 . "N-Dimethylarginine dimethylaminohydrolase [Pseudomonas aeruginosa DK2]" . . . . . 97.32 254 99.21 99.21 0.00e+00 . . . . 6074 1 23 no GB AGI82760 . "N-Dimethylarginine dimethylaminohydrolase [Pseudomonas aeruginosa B136-33]" . . . . . 97.32 254 99.21 99.21 0.00e+00 . . . . 6074 1 24 no REF NP_249886 . "hypothetical protein PA1195 [Pseudomonas aeruginosa PAO1]" . . . . . 97.32 254 99.21 99.21 0.00e+00 . . . . 6074 1 25 no REF WP_003082466 . "N(G),N(G)-dimethylarginine dimethylaminohydrolase [Pseudomonas aeruginosa]" . . . . . 97.32 254 98.82 99.21 0.00e+00 . . . . 6074 1 26 no REF WP_003086612 . "MULTISPECIES: N(G),N(G)-dimethylarginine dimethylaminohydrolase [Pseudomonas]" . . . . . 97.32 254 99.21 99.21 0.00e+00 . . . . 6074 1 27 no REF WP_003123128 . "N(G),N(G)-dimethylarginine dimethylaminohydrolase [Pseudomonas aeruginosa]" . . . . . 97.32 254 98.82 99.21 0.00e+00 . . . . 6074 1 28 no REF WP_003133711 . "N(G),N(G)-dimethylarginine dimethylaminohydrolase [Pseudomonas aeruginosa]" . . . . . 97.32 254 98.82 99.21 0.00e+00 . . . . 6074 1 29 no SP Q9I4E3 . "RecName: Full=N(G),N(G)-dimethylarginine dimethylaminohydrolase; Short=DDAH; Short=Dimethylarginine dimethylaminohydrolase; Alt" . . . . . 97.32 254 99.21 99.21 0.00e+00 . . . . 6074 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Pseudomonas aeruginosa dimethylarginine dimethylaminohydrolase' common 6074 1 DDAH abbreviation 6074 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 -7 GLY . 6074 1 2 -6 ALA . 6074 1 3 -5 MET . 6074 1 4 -4 ASP . 6074 1 5 -3 PRO . 6074 1 6 -2 GLU . 6074 1 7 -1 PHE . 6074 1 8 1 MET . 6074 1 9 2 PHE . 6074 1 10 3 LYS . 6074 1 11 4 HIS . 6074 1 12 5 ILE . 6074 1 13 6 ILE . 6074 1 14 7 ALA . 6074 1 15 8 ARG . 6074 1 16 9 THR . 6074 1 17 10 PRO . 6074 1 18 11 ALA . 6074 1 19 12 ARG . 6074 1 20 13 SER . 6074 1 21 14 LEU . 6074 1 22 15 VAL . 6074 1 23 16 ASP . 6074 1 24 17 GLY . 6074 1 25 18 LEU . 6074 1 26 19 THR . 6074 1 27 20 SER . 6074 1 28 21 SER . 6074 1 29 22 HIS . 6074 1 30 23 LEU . 6074 1 31 24 GLY . 6074 1 32 25 LYS . 6074 1 33 26 PRO . 6074 1 34 27 ASP . 6074 1 35 28 TYR . 6074 1 36 29 ALA . 6074 1 37 30 LYS . 6074 1 38 31 ALA . 6074 1 39 32 LEU . 6074 1 40 33 GLU . 6074 1 41 34 GLN . 6074 1 42 35 HIS . 6074 1 43 36 ASN . 6074 1 44 37 ALA . 6074 1 45 38 TYR . 6074 1 46 39 ILE . 6074 1 47 40 GLU . 6074 1 48 41 ALA . 6074 1 49 42 LEU . 6074 1 50 43 GLN . 6074 1 51 44 THR . 6074 1 52 45 CYS . 6074 1 53 46 ASP . 6074 1 54 47 VAL . 6074 1 55 48 ASP . 6074 1 56 49 ILE . 6074 1 57 50 THR . 6074 1 58 51 LEU . 6074 1 59 52 LEU . 6074 1 60 53 PRO . 6074 1 61 54 PRO . 6074 1 62 55 ASP . 6074 1 63 56 GLU . 6074 1 64 57 ARG . 6074 1 65 58 PHE . 6074 1 66 59 PRO . 6074 1 67 60 ASP . 6074 1 68 61 SER . 6074 1 69 62 VAL . 6074 1 70 63 PHE . 6074 1 71 64 VAL . 6074 1 72 65 GLU . 6074 1 73 66 ASP . 6074 1 74 67 PRO . 6074 1 75 68 VAL . 6074 1 76 69 LEU . 6074 1 77 70 CYS . 6074 1 78 71 THR . 6074 1 79 72 SER . 6074 1 80 73 ARG . 6074 1 81 74 CYS . 6074 1 82 75 ALA . 6074 1 83 76 ILE . 6074 1 84 77 ILE . 6074 1 85 78 THR . 6074 1 86 79 ARG . 6074 1 87 80 PRO . 6074 1 88 81 GLY . 6074 1 89 82 ALA . 6074 1 90 83 GLU . 6074 1 91 84 SER . 6074 1 92 85 ARG . 6074 1 93 86 ARG . 6074 1 94 87 GLY . 6074 1 95 88 GLU . 6074 1 96 89 THR . 6074 1 97 90 GLU . 6074 1 98 91 ILE . 6074 1 99 92 ILE . 6074 1 100 93 GLU . 6074 1 101 94 GLU . 6074 1 102 95 THR . 6074 1 103 96 VAL . 6074 1 104 97 GLN . 6074 1 105 98 HIS . 6074 1 106 99 PHE . 6074 1 107 100 TYR . 6074 1 108 101 PRO . 6074 1 109 102 GLY . 6074 1 110 103 LYS . 6074 1 111 104 VAL . 6074 1 112 105 GLU . 6074 1 113 106 ARG . 6074 1 114 107 ILE . 6074 1 115 108 GLU . 6074 1 116 109 ALA . 6074 1 117 110 PRO . 6074 1 118 111 GLY . 6074 1 119 112 THR . 6074 1 120 113 VAL . 6074 1 121 114 GLU . 6074 1 122 115 ALA . 6074 1 123 116 GLY . 6074 1 124 117 ASP . 6074 1 125 118 ILE . 6074 1 126 119 MET . 6074 1 127 120 MET . 6074 1 128 121 VAL . 6074 1 129 122 GLY . 6074 1 130 123 ASP . 6074 1 131 124 HIS . 6074 1 132 125 PHE . 6074 1 133 126 TYR . 6074 1 134 127 ILE . 6074 1 135 128 GLY . 6074 1 136 129 GLU . 6074 1 137 130 SER . 6074 1 138 131 ALA . 6074 1 139 132 ARG . 6074 1 140 133 THR . 6074 1 141 134 ASN . 6074 1 142 135 ALA . 6074 1 143 136 GLU . 6074 1 144 137 GLY . 6074 1 145 138 ALA . 6074 1 146 139 ARG . 6074 1 147 140 GLN . 6074 1 148 141 MET . 6074 1 149 142 ILE . 6074 1 150 143 ALA . 6074 1 151 144 ILE . 6074 1 152 145 LEU . 6074 1 153 146 GLU . 6074 1 154 147 LYS . 6074 1 155 148 HIS . 6074 1 156 149 GLY . 6074 1 157 150 LEU . 6074 1 158 151 SER . 6074 1 159 152 GLY . 6074 1 160 153 SER . 6074 1 161 154 VAL . 6074 1 162 155 VAL . 6074 1 163 156 ARG . 6074 1 164 157 LEU . 6074 1 165 158 GLU . 6074 1 166 159 LYS . 6074 1 167 160 VAL . 6074 1 168 161 LEU . 6074 1 169 162 HIS . 6074 1 170 163 LEU . 6074 1 171 164 LYS . 6074 1 172 165 THR . 6074 1 173 166 GLY . 6074 1 174 167 LEU . 6074 1 175 168 ALA . 6074 1 176 169 TYR . 6074 1 177 170 LEU . 6074 1 178 171 GLU . 6074 1 179 172 HIS . 6074 1 180 173 ASN . 6074 1 181 174 ASN . 6074 1 182 175 LEU . 6074 1 183 176 LEU . 6074 1 184 177 ALA . 6074 1 185 178 ALA . 6074 1 186 179 GLY . 6074 1 187 180 GLU . 6074 1 188 181 PHE . 6074 1 189 182 VAL . 6074 1 190 183 SER . 6074 1 191 184 LYS . 6074 1 192 185 PRO . 6074 1 193 186 GLU . 6074 1 194 187 PHE . 6074 1 195 188 GLN . 6074 1 196 189 ASP . 6074 1 197 190 PHE . 6074 1 198 191 ASN . 6074 1 199 192 ILE . 6074 1 200 193 ILE . 6074 1 201 194 GLU . 6074 1 202 195 ILE . 6074 1 203 196 PRO . 6074 1 204 197 GLU . 6074 1 205 198 GLU . 6074 1 206 199 GLU . 6074 1 207 200 SER . 6074 1 208 201 TYR . 6074 1 209 202 ALA . 6074 1 210 203 ALA . 6074 1 211 204 ASN . 6074 1 212 205 CYS . 6074 1 213 206 ILE . 6074 1 214 207 TRP . 6074 1 215 208 VAL . 6074 1 216 209 ASN . 6074 1 217 210 GLU . 6074 1 218 211 ARG . 6074 1 219 212 VAL . 6074 1 220 213 ILE . 6074 1 221 214 MET . 6074 1 222 215 PRO . 6074 1 223 216 ALA . 6074 1 224 217 GLY . 6074 1 225 218 TYR . 6074 1 226 219 PRO . 6074 1 227 220 ARG . 6074 1 228 221 THR . 6074 1 229 222 ARG . 6074 1 230 223 GLU . 6074 1 231 224 LYS . 6074 1 232 225 ILE . 6074 1 233 226 ALA . 6074 1 234 227 ARG . 6074 1 235 228 LEU . 6074 1 236 229 GLY . 6074 1 237 230 TYR . 6074 1 238 231 ARG . 6074 1 239 232 VAL . 6074 1 240 233 ILE . 6074 1 241 234 GLU . 6074 1 242 235 VAL . 6074 1 243 236 ASP . 6074 1 244 237 THR . 6074 1 245 238 SER . 6074 1 246 239 GLU . 6074 1 247 240 TYR . 6074 1 248 241 ARG . 6074 1 249 242 LYS . 6074 1 250 243 ILE . 6074 1 251 244 ASP . 6074 1 252 245 GLY . 6074 1 253 246 GLY . 6074 1 254 247 VAL . 6074 1 255 248 SER . 6074 1 256 249 CYS . 6074 1 257 250 MET . 6074 1 258 251 SER . 6074 1 259 252 LEU . 6074 1 260 253 ARG . 6074 1 261 254 PHE . 6074 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 6074 1 . ALA 2 2 6074 1 . MET 3 3 6074 1 . ASP 4 4 6074 1 . PRO 5 5 6074 1 . GLU 6 6 6074 1 . PHE 7 7 6074 1 . MET 8 8 6074 1 . PHE 9 9 6074 1 . LYS 10 10 6074 1 . HIS 11 11 6074 1 . ILE 12 12 6074 1 . ILE 13 13 6074 1 . ALA 14 14 6074 1 . ARG 15 15 6074 1 . THR 16 16 6074 1 . PRO 17 17 6074 1 . ALA 18 18 6074 1 . ARG 19 19 6074 1 . SER 20 20 6074 1 . LEU 21 21 6074 1 . VAL 22 22 6074 1 . ASP 23 23 6074 1 . GLY 24 24 6074 1 . LEU 25 25 6074 1 . THR 26 26 6074 1 . SER 27 27 6074 1 . SER 28 28 6074 1 . HIS 29 29 6074 1 . LEU 30 30 6074 1 . GLY 31 31 6074 1 . LYS 32 32 6074 1 . PRO 33 33 6074 1 . ASP 34 34 6074 1 . TYR 35 35 6074 1 . ALA 36 36 6074 1 . LYS 37 37 6074 1 . ALA 38 38 6074 1 . LEU 39 39 6074 1 . GLU 40 40 6074 1 . GLN 41 41 6074 1 . HIS 42 42 6074 1 . ASN 43 43 6074 1 . ALA 44 44 6074 1 . TYR 45 45 6074 1 . ILE 46 46 6074 1 . GLU 47 47 6074 1 . ALA 48 48 6074 1 . LEU 49 49 6074 1 . GLN 50 50 6074 1 . THR 51 51 6074 1 . CYS 52 52 6074 1 . ASP 53 53 6074 1 . VAL 54 54 6074 1 . ASP 55 55 6074 1 . ILE 56 56 6074 1 . THR 57 57 6074 1 . LEU 58 58 6074 1 . LEU 59 59 6074 1 . PRO 60 60 6074 1 . PRO 61 61 6074 1 . ASP 62 62 6074 1 . GLU 63 63 6074 1 . ARG 64 64 6074 1 . PHE 65 65 6074 1 . PRO 66 66 6074 1 . ASP 67 67 6074 1 . SER 68 68 6074 1 . VAL 69 69 6074 1 . PHE 70 70 6074 1 . VAL 71 71 6074 1 . GLU 72 72 6074 1 . ASP 73 73 6074 1 . PRO 74 74 6074 1 . VAL 75 75 6074 1 . LEU 76 76 6074 1 . CYS 77 77 6074 1 . THR 78 78 6074 1 . SER 79 79 6074 1 . ARG 80 80 6074 1 . CYS 81 81 6074 1 . ALA 82 82 6074 1 . ILE 83 83 6074 1 . ILE 84 84 6074 1 . THR 85 85 6074 1 . ARG 86 86 6074 1 . PRO 87 87 6074 1 . GLY 88 88 6074 1 . ALA 89 89 6074 1 . GLU 90 90 6074 1 . SER 91 91 6074 1 . ARG 92 92 6074 1 . ARG 93 93 6074 1 . GLY 94 94 6074 1 . GLU 95 95 6074 1 . THR 96 96 6074 1 . GLU 97 97 6074 1 . ILE 98 98 6074 1 . ILE 99 99 6074 1 . GLU 100 100 6074 1 . GLU 101 101 6074 1 . THR 102 102 6074 1 . VAL 103 103 6074 1 . GLN 104 104 6074 1 . HIS 105 105 6074 1 . PHE 106 106 6074 1 . TYR 107 107 6074 1 . PRO 108 108 6074 1 . GLY 109 109 6074 1 . LYS 110 110 6074 1 . VAL 111 111 6074 1 . GLU 112 112 6074 1 . ARG 113 113 6074 1 . ILE 114 114 6074 1 . GLU 115 115 6074 1 . ALA 116 116 6074 1 . PRO 117 117 6074 1 . GLY 118 118 6074 1 . THR 119 119 6074 1 . VAL 120 120 6074 1 . GLU 121 121 6074 1 . ALA 122 122 6074 1 . GLY 123 123 6074 1 . ASP 124 124 6074 1 . ILE 125 125 6074 1 . MET 126 126 6074 1 . MET 127 127 6074 1 . VAL 128 128 6074 1 . GLY 129 129 6074 1 . ASP 130 130 6074 1 . HIS 131 131 6074 1 . PHE 132 132 6074 1 . TYR 133 133 6074 1 . ILE 134 134 6074 1 . GLY 135 135 6074 1 . GLU 136 136 6074 1 . SER 137 137 6074 1 . ALA 138 138 6074 1 . ARG 139 139 6074 1 . THR 140 140 6074 1 . ASN 141 141 6074 1 . ALA 142 142 6074 1 . GLU 143 143 6074 1 . GLY 144 144 6074 1 . ALA 145 145 6074 1 . ARG 146 146 6074 1 . GLN 147 147 6074 1 . MET 148 148 6074 1 . ILE 149 149 6074 1 . ALA 150 150 6074 1 . ILE 151 151 6074 1 . LEU 152 152 6074 1 . GLU 153 153 6074 1 . LYS 154 154 6074 1 . HIS 155 155 6074 1 . GLY 156 156 6074 1 . LEU 157 157 6074 1 . SER 158 158 6074 1 . GLY 159 159 6074 1 . SER 160 160 6074 1 . VAL 161 161 6074 1 . VAL 162 162 6074 1 . ARG 163 163 6074 1 . LEU 164 164 6074 1 . GLU 165 165 6074 1 . LYS 166 166 6074 1 . VAL 167 167 6074 1 . LEU 168 168 6074 1 . HIS 169 169 6074 1 . LEU 170 170 6074 1 . LYS 171 171 6074 1 . THR 172 172 6074 1 . GLY 173 173 6074 1 . LEU 174 174 6074 1 . ALA 175 175 6074 1 . TYR 176 176 6074 1 . LEU 177 177 6074 1 . GLU 178 178 6074 1 . HIS 179 179 6074 1 . ASN 180 180 6074 1 . ASN 181 181 6074 1 . LEU 182 182 6074 1 . LEU 183 183 6074 1 . ALA 184 184 6074 1 . ALA 185 185 6074 1 . GLY 186 186 6074 1 . GLU 187 187 6074 1 . PHE 188 188 6074 1 . VAL 189 189 6074 1 . SER 190 190 6074 1 . LYS 191 191 6074 1 . PRO 192 192 6074 1 . GLU 193 193 6074 1 . PHE 194 194 6074 1 . GLN 195 195 6074 1 . ASP 196 196 6074 1 . PHE 197 197 6074 1 . ASN 198 198 6074 1 . ILE 199 199 6074 1 . ILE 200 200 6074 1 . GLU 201 201 6074 1 . ILE 202 202 6074 1 . PRO 203 203 6074 1 . GLU 204 204 6074 1 . GLU 205 205 6074 1 . GLU 206 206 6074 1 . SER 207 207 6074 1 . TYR 208 208 6074 1 . ALA 209 209 6074 1 . ALA 210 210 6074 1 . ASN 211 211 6074 1 . CYS 212 212 6074 1 . ILE 213 213 6074 1 . TRP 214 214 6074 1 . VAL 215 215 6074 1 . ASN 216 216 6074 1 . GLU 217 217 6074 1 . ARG 218 218 6074 1 . VAL 219 219 6074 1 . ILE 220 220 6074 1 . MET 221 221 6074 1 . PRO 222 222 6074 1 . ALA 223 223 6074 1 . GLY 224 224 6074 1 . TYR 225 225 6074 1 . PRO 226 226 6074 1 . ARG 227 227 6074 1 . THR 228 228 6074 1 . ARG 229 229 6074 1 . GLU 230 230 6074 1 . LYS 231 231 6074 1 . ILE 232 232 6074 1 . ALA 233 233 6074 1 . ARG 234 234 6074 1 . LEU 235 235 6074 1 . GLY 236 236 6074 1 . TYR 237 237 6074 1 . ARG 238 238 6074 1 . VAL 239 239 6074 1 . ILE 240 240 6074 1 . GLU 241 241 6074 1 . VAL 242 242 6074 1 . ASP 243 243 6074 1 . THR 244 244 6074 1 . SER 245 245 6074 1 . GLU 246 246 6074 1 . TYR 247 247 6074 1 . ARG 248 248 6074 1 . LYS 249 249 6074 1 . ILE 250 250 6074 1 . ASP 251 251 6074 1 . GLY 252 252 6074 1 . GLY 253 253 6074 1 . VAL 254 254 6074 1 . SER 255 255 6074 1 . CYS 256 256 6074 1 . MET 257 257 6074 1 . SER 258 258 6074 1 . LEU 259 259 6074 1 . ARG 260 260 6074 1 . PHE 261 261 6074 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 6074 _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 $PaDDAH . 287 . . 'Pseudomonas aeruginosa' 'Pseudomonas aeruginosa' . . Eubacteria . Pseudomonas aeruginosa . . . . . . . . . . . . . . . . . . . . . 6074 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 6074 _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 $PaDDAH . 'recombinant technology' . 'E. coli' . . . . . . . . . . . . . . . . . . . . . . . . . . . 6074 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6074 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Pseudomonas aeruginosa dimethylarginine dimethylaminohydrolase' '[U-13C; U-15N; U-2H]' . . 1 $PaDDAH . . 1.5 . . mM . . . . 6074 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 6074 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 0.2 na 6074 1 temperature 298 1 K 6074 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 6074 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6074 _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 NMR_spectrometer Varian Unity . 500 . . . 6074 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 6074 _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 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6074 1 2 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6074 1 3 HN(CA)CB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6074 1 4 HN(COCA)CB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6074 1 5 HN(CO)CA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6074 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 6074 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6074 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6074 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HN(CA)CB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6074 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HN(COCA)CB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6074 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HN(CO)CA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6074 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.000000000 . . . . . . . . . 6074 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6074 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6074 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 6074 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 HNCO 1 $sample_1 . 6074 1 2 HNCA 1 $sample_1 . 6074 1 3 HN(CA)CB 1 $sample_1 . 6074 1 4 HN(COCA)CB 1 $sample_1 . 6074 1 5 HN(CO)CA 1 $sample_1 . 6074 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 ALA CA C 13 54.112 0.4 . 1 . . . . . . . . 6074 1 2 . 1 1 2 2 ALA C C 13 178.089 0.4 . 1 . . . . . . . . 6074 1 3 . 1 1 2 2 ALA CB C 13 19.845 0.4 . 1 . . . . . . . . 6074 1 4 . 1 1 3 3 MET N N 15 117.96 0.1 . 1 . . . . . . . . 6074 1 5 . 1 1 3 3 MET H H 1 8.478 0.02 . 1 . . . . . . . . 6074 1 6 . 1 1 3 3 MET CA C 13 55.98 0.4 . 1 . . . . . . . . 6074 1 7 . 1 1 3 3 MET C C 13 175.875 0.4 . 1 . . . . . . . . 6074 1 8 . 1 1 3 3 MET CB C 13 32.852 0.4 . 1 . . . . . . . . 6074 1 9 . 1 1 4 4 ASP N N 15 122.545 0.1 . 1 . . . . . . . . 6074 1 10 . 1 1 4 4 ASP H H 1 8.091 0.02 . 1 . . . . . . . . 6074 1 11 . 1 1 4 4 ASP CA C 13 53.753 0.4 . 1 . . . . . . . . 6074 1 12 . 1 1 4 4 ASP CB C 13 41.367 0.4 . 1 . . . . . . . . 6074 1 13 . 1 1 5 5 PRO CA C 13 64.22 0.4 . 1 . . . . . . . . 6074 1 14 . 1 1 5 5 PRO C C 13 177.101 0.4 . 1 . . . . . . . . 6074 1 15 . 1 1 5 5 PRO CB C 13 32.578 0.4 . 1 . . . . . . . . 6074 1 16 . 1 1 6 6 GLU N N 15 120.677 0.1 . 1 . . . . . . . . 6074 1 17 . 1 1 6 6 GLU H H 1 8.565 0.02 . 1 . . . . . . . . 6074 1 18 . 1 1 6 6 GLU CA C 13 57.602 0.4 . 1 . . . . . . . . 6074 1 19 . 1 1 6 6 GLU C C 13 176.003 0.4 . 1 . . . . . . . . 6074 1 20 . 1 1 6 6 GLU CB C 13 30.777 0.4 . 1 . . . . . . . . 6074 1 21 . 1 1 7 7 PHE N N 15 120.962 0.1 . 1 . . . . . . . . 6074 1 22 . 1 1 7 7 PHE H H 1 8.092 0.02 . 1 . . . . . . . . 6074 1 23 . 1 1 7 7 PHE CA C 13 58.244 0.4 . 1 . . . . . . . . 6074 1 24 . 1 1 7 7 PHE C C 13 174.289 0.4 . 1 . . . . . . . . 6074 1 25 . 1 1 7 7 PHE CB C 13 40.646 0.4 . 1 . . . . . . . . 6074 1 26 . 1 1 8 8 MET N N 15 121.054 0.1 . 1 . . . . . . . . 6074 1 27 . 1 1 8 8 MET H H 1 7.576 0.02 . 1 . . . . . . . . 6074 1 28 . 1 1 8 8 MET CA C 13 56.391 0.4 . 1 . . . . . . . . 6074 1 29 . 1 1 8 8 MET C C 13 176.229 0.4 . 1 . . . . . . . . 6074 1 30 . 1 1 8 8 MET CB C 13 36.202 0.4 . 1 . . . . . . . . 6074 1 31 . 1 1 9 9 PHE N N 15 119.5 0.1 . 1 . . . . . . . . 6074 1 32 . 1 1 9 9 PHE H H 1 9.51 0.02 . 1 . . . . . . . . 6074 1 33 . 1 1 9 9 PHE CA C 13 56.379 0.4 . 1 . . . . . . . . 6074 1 34 . 1 1 9 9 PHE C C 13 175.779 0.4 . 1 . . . . . . . . 6074 1 35 . 1 1 9 9 PHE CB C 13 40.472 0.4 . 1 . . . . . . . . 6074 1 36 . 1 1 10 10 LYS N N 15 120.089 0.1 . 1 . . . . . . . . 6074 1 37 . 1 1 10 10 LYS H H 1 9.566 0.02 . 1 . . . . . . . . 6074 1 38 . 1 1 10 10 LYS CA C 13 57.65 0.4 . 1 . . . . . . . . 6074 1 39 . 1 1 10 10 LYS C C 13 176.425 0.4 . 1 . . . . . . . . 6074 1 40 . 1 1 10 10 LYS CB C 13 36.027 0.4 . 1 . . . . . . . . 6074 1 41 . 1 1 11 11 HIS N N 15 119.196 0.1 . 1 . . . . . . . . 6074 1 42 . 1 1 11 11 HIS H H 1 8.709 0.02 . 1 . . . . . . . . 6074 1 43 . 1 1 11 11 HIS CA C 13 55.479 0.4 . 1 . . . . . . . . 6074 1 44 . 1 1 11 11 HIS C C 13 172.175 0.4 . 1 . . . . . . . . 6074 1 45 . 1 1 11 11 HIS CB C 13 33.572 0.4 . 1 . . . . . . . . 6074 1 46 . 1 1 12 12 ILE N N 15 116.079 0.1 . 1 . . . . . . . . 6074 1 47 . 1 1 12 12 ILE H H 1 8.021 0.02 . 1 . . . . . . . . 6074 1 48 . 1 1 12 12 ILE CA C 13 57.245 0.4 . 1 . . . . . . . . 6074 1 49 . 1 1 12 12 ILE C C 13 177.381 0.4 . 1 . . . . . . . . 6074 1 50 . 1 1 12 12 ILE CB C 13 40.58 0.4 . 1 . . . . . . . . 6074 1 51 . 1 1 13 13 ILE N N 15 124.498 0.1 . 1 . . . . . . . . 6074 1 52 . 1 1 13 13 ILE H H 1 8.559 0.02 . 1 . . . . . . . . 6074 1 53 . 1 1 13 13 ILE CA C 13 60.892 0.4 . 1 . . . . . . . . 6074 1 54 . 1 1 13 13 ILE C C 13 174.077 0.4 . 1 . . . . . . . . 6074 1 55 . 1 1 13 13 ILE CB C 13 41.458 0.4 . 1 . . . . . . . . 6074 1 56 . 1 1 14 14 ALA N N 15 128.4 0.1 . 1 . . . . . . . . 6074 1 57 . 1 1 14 14 ALA H H 1 8.914 0.02 . 1 . . . . . . . . 6074 1 58 . 1 1 14 14 ALA CA C 13 51.653 0.4 . 1 . . . . . . . . 6074 1 59 . 1 1 14 14 ALA C C 13 174.095 0.4 . 1 . . . . . . . . 6074 1 60 . 1 1 14 14 ALA CB C 13 24.415 0.4 . 1 . . . . . . . . 6074 1 61 . 1 1 15 15 ARG N N 15 121.874 0.1 . 1 . . . . . . . . 6074 1 62 . 1 1 15 15 ARG H H 1 9.799 0.02 . 1 . . . . . . . . 6074 1 63 . 1 1 15 15 ARG CA C 13 56.603 0.4 . 1 . . . . . . . . 6074 1 64 . 1 1 15 15 ARG C C 13 172.103 0.4 . 1 . . . . . . . . 6074 1 65 . 1 1 15 15 ARG CB C 13 34.254 0.4 . 1 . . . . . . . . 6074 1 66 . 1 1 16 16 THR N N 15 123.875 0.1 . 1 . . . . . . . . 6074 1 67 . 1 1 16 16 THR H H 1 7.882 0.02 . 1 . . . . . . . . 6074 1 68 . 1 1 16 16 THR CA C 13 62.768 0.4 . 1 . . . . . . . . 6074 1 69 . 1 1 16 16 THR CB C 13 72.02 0.4 . 1 . . . . . . . . 6074 1 70 . 1 1 17 17 PRO CA C 13 62.748 0.4 . 1 . . . . . . . . 6074 1 71 . 1 1 17 17 PRO C C 13 174.837 0.4 . 1 . . . . . . . . 6074 1 72 . 1 1 17 17 PRO CB C 13 32.896 0.4 . 1 . . . . . . . . 6074 1 73 . 1 1 18 18 ALA N N 15 126.06 0.1 . 1 . . . . . . . . 6074 1 74 . 1 1 18 18 ALA H H 1 8.15 0.02 . 1 . . . . . . . . 6074 1 75 . 1 1 18 18 ALA CA C 13 51.474 0.4 . 1 . . . . . . . . 6074 1 76 . 1 1 18 18 ALA C C 13 177.979 0.4 . 1 . . . . . . . . 6074 1 77 . 1 1 18 18 ALA CB C 13 20.195 0.4 . 1 . . . . . . . . 6074 1 78 . 1 1 19 19 ARG N N 15 124.942 0.1 . 1 . . . . . . . . 6074 1 79 . 1 1 19 19 ARG H H 1 10.346 0.02 . 1 . . . . . . . . 6074 1 80 . 1 1 19 19 ARG CA C 13 60.433 0.4 . 1 . . . . . . . . 6074 1 81 . 1 1 19 19 ARG C C 13 180.147 0.4 . 1 . . . . . . . . 6074 1 82 . 1 1 19 19 ARG CB C 13 28.851 0.4 . 1 . . . . . . . . 6074 1 83 . 1 1 20 20 SER N N 15 113.236 0.1 . 1 . . . . . . . . 6074 1 84 . 1 1 20 20 SER H H 1 8.919 0.02 . 1 . . . . . . . . 6074 1 85 . 1 1 20 20 SER CA C 13 59.969 0.4 . 1 . . . . . . . . 6074 1 86 . 1 1 20 20 SER C C 13 175.764 0.4 . 1 . . . . . . . . 6074 1 87 . 1 1 20 20 SER CB C 13 63.895 0.4 . 1 . . . . . . . . 6074 1 88 . 1 1 21 21 LEU N N 15 124.951 0.1 . 1 . . . . . . . . 6074 1 89 . 1 1 21 21 LEU H H 1 7.826 0.02 . 1 . . . . . . . . 6074 1 90 . 1 1 21 21 LEU CA C 13 59.547 0.4 . 1 . . . . . . . . 6074 1 91 . 1 1 21 21 LEU C C 13 177.978 0.4 . 1 . . . . . . . . 6074 1 92 . 1 1 21 21 LEU CB C 13 43.402 0.4 . 1 . . . . . . . . 6074 1 93 . 1 1 22 22 VAL N N 15 108.337 0.1 . 1 . . . . . . . . 6074 1 94 . 1 1 22 22 VAL H H 1 7.053 0.02 . 1 . . . . . . . . 6074 1 95 . 1 1 22 22 VAL CA C 13 63.77 0.4 . 1 . . . . . . . . 6074 1 96 . 1 1 22 22 VAL C C 13 176.201 0.4 . 1 . . . . . . . . 6074 1 97 . 1 1 22 22 VAL CB C 13 31.946 0.4 . 1 . . . . . . . . 6074 1 98 . 1 1 23 23 ASP N N 15 120.179 0.1 . 1 . . . . . . . . 6074 1 99 . 1 1 23 23 ASP H H 1 7.695 0.02 . 1 . . . . . . . . 6074 1 100 . 1 1 23 23 ASP CA C 13 55.722 0.4 . 1 . . . . . . . . 6074 1 101 . 1 1 23 23 ASP C C 13 176.999 0.4 . 1 . . . . . . . . 6074 1 102 . 1 1 23 23 ASP CB C 13 41.927 0.4 . 1 . . . . . . . . 6074 1 103 . 1 1 24 24 GLY N N 15 107.989 0.1 . 1 . . . . . . . . 6074 1 104 . 1 1 24 24 GLY H H 1 7.941 0.02 . 1 . . . . . . . . 6074 1 105 . 1 1 24 24 GLY CA C 13 46.478 0.4 . 1 . . . . . . . . 6074 1 106 . 1 1 24 24 GLY C C 13 174.062 0.4 . 1 . . . . . . . . 6074 1 107 . 1 1 25 25 LEU N N 15 122.164 0.1 . 1 . . . . . . . . 6074 1 108 . 1 1 25 25 LEU H H 1 8.707 0.02 . 1 . . . . . . . . 6074 1 109 . 1 1 25 25 LEU CA C 13 56.589 0.4 . 1 . . . . . . . . 6074 1 110 . 1 1 25 25 LEU C C 13 177.953 0.4 . 1 . . . . . . . . 6074 1 111 . 1 1 25 25 LEU CB C 13 42.57 0.4 . 1 . . . . . . . . 6074 1 112 . 1 1 26 26 THR N N 15 114.259 0.1 . 1 . . . . . . . . 6074 1 113 . 1 1 26 26 THR H H 1 8.215 0.02 . 1 . . . . . . . . 6074 1 114 . 1 1 26 26 THR CA C 13 62.298 0.4 . 1 . . . . . . . . 6074 1 115 . 1 1 26 26 THR C C 13 180.213 0.4 . 1 . . . . . . . . 6074 1 116 . 1 1 26 26 THR CB C 13 70.784 0.4 . 1 . . . . . . . . 6074 1 117 . 1 1 27 27 SER N N 15 118.173 0.1 . 1 . . . . . . . . 6074 1 118 . 1 1 27 27 SER H H 1 8.59 0.02 . 1 . . . . . . . . 6074 1 119 . 1 1 27 27 SER CA C 13 59.22 0.4 . 1 . . . . . . . . 6074 1 120 . 1 1 27 27 SER CB C 13 65.143 0.4 . 1 . . . . . . . . 6074 1 121 . 1 1 29 29 HIS CA C 13 58.266 0.4 . 1 . . . . . . . . 6074 1 122 . 1 1 29 29 HIS C C 13 176.084 0.4 . 1 . . . . . . . . 6074 1 123 . 1 1 29 29 HIS CB C 13 30.59 0.4 . 1 . . . . . . . . 6074 1 124 . 1 1 30 30 LEU N N 15 120.227 0.1 . 1 . . . . . . . . 6074 1 125 . 1 1 30 30 LEU H H 1 7.992 0.02 . 1 . . . . . . . . 6074 1 126 . 1 1 30 30 LEU CA C 13 56.053 0.4 . 1 . . . . . . . . 6074 1 127 . 1 1 30 30 LEU C C 13 177.559 0.4 . 1 . . . . . . . . 6074 1 128 . 1 1 30 30 LEU CB C 13 43.048 0.4 . 1 . . . . . . . . 6074 1 129 . 1 1 31 31 GLY N N 15 106.983 0.1 . 1 . . . . . . . . 6074 1 130 . 1 1 31 31 GLY H H 1 7.76 0.02 . 1 . . . . . . . . 6074 1 131 . 1 1 31 31 GLY CA C 13 45.037 0.4 . 1 . . . . . . . . 6074 1 132 . 1 1 31 31 GLY C C 13 174.363 0.4 . 1 . . . . . . . . 6074 1 133 . 1 1 32 32 LYS N N 15 119.106 0.1 . 1 . . . . . . . . 6074 1 134 . 1 1 32 32 LYS H H 1 8.326 0.02 . 1 . . . . . . . . 6074 1 135 . 1 1 32 32 LYS CA C 13 54.948 0.4 . 1 . . . . . . . . 6074 1 136 . 1 1 32 32 LYS CB C 13 33.473 0.4 . 1 . . . . . . . . 6074 1 137 . 1 1 33 33 PRO CA C 13 63.579 0.4 . 1 . . . . . . . . 6074 1 138 . 1 1 33 33 PRO C C 13 174.091 0.4 . 1 . . . . . . . . 6074 1 139 . 1 1 33 33 PRO CB C 13 32.469 0.4 . 1 . . . . . . . . 6074 1 140 . 1 1 34 34 ASP N N 15 123.82 0.1 . 1 . . . . . . . . 6074 1 141 . 1 1 34 34 ASP H H 1 8.928 0.02 . 1 . . . . . . . . 6074 1 142 . 1 1 34 34 ASP CA C 13 53.429 0.4 . 1 . . . . . . . . 6074 1 143 . 1 1 34 34 ASP C C 13 176.309 0.4 . 1 . . . . . . . . 6074 1 144 . 1 1 34 34 ASP CB C 13 44.008 0.4 . 1 . . . . . . . . 6074 1 145 . 1 1 35 35 TYR N N 15 127.176 0.1 . 1 . . . . . . . . 6074 1 146 . 1 1 35 35 TYR H H 1 9 0.02 . 1 . . . . . . . . 6074 1 147 . 1 1 35 35 TYR CA C 13 63.352 0.4 . 1 . . . . . . . . 6074 1 148 . 1 1 35 35 TYR C C 13 175.432 0.4 . 1 . . . . . . . . 6074 1 149 . 1 1 35 35 TYR CB C 13 39.01 0.4 . 1 . . . . . . . . 6074 1 150 . 1 1 36 36 ALA N N 15 120.213 0.1 . 1 . . . . . . . . 6074 1 151 . 1 1 36 36 ALA H H 1 8.209 0.02 . 1 . . . . . . . . 6074 1 152 . 1 1 36 36 ALA CA C 13 56.411 0.4 . 1 . . . . . . . . 6074 1 153 . 1 1 36 36 ALA C C 13 181.862 0.4 . 1 . . . . . . . . 6074 1 154 . 1 1 36 36 ALA CB C 13 18.209 0.4 . 1 . . . . . . . . 6074 1 155 . 1 1 37 37 LYS N N 15 119.142 0.1 . 1 . . . . . . . . 6074 1 156 . 1 1 37 37 LYS H H 1 8.153 0.02 . 1 . . . . . . . . 6074 1 157 . 1 1 37 37 LYS CA C 13 59.41 0.4 . 1 . . . . . . . . 6074 1 158 . 1 1 37 37 LYS C C 13 178.43 0.4 . 1 . . . . . . . . 6074 1 159 . 1 1 37 37 LYS CB C 13 32.598 0.4 . 1 . . . . . . . . 6074 1 160 . 1 1 38 38 ALA N N 15 123.085 0.1 . 1 . . . . . . . . 6074 1 161 . 1 1 38 38 ALA H H 1 8.804 0.02 . 1 . . . . . . . . 6074 1 162 . 1 1 38 38 ALA CA C 13 55.825 0.4 . 1 . . . . . . . . 6074 1 163 . 1 1 38 38 ALA C C 13 183.048 0.4 . 1 . . . . . . . . 6074 1 164 . 1 1 38 38 ALA CB C 13 17.013 0.4 . 1 . . . . . . . . 6074 1 165 . 1 1 39 39 LEU N N 15 125.613 0.1 . 1 . . . . . . . . 6074 1 166 . 1 1 39 39 LEU H H 1 8.865 0.02 . 1 . . . . . . . . 6074 1 167 . 1 1 39 39 LEU CA C 13 59.246 0.4 . 1 . . . . . . . . 6074 1 168 . 1 1 39 39 LEU C C 13 178.556 0.4 . 1 . . . . . . . . 6074 1 169 . 1 1 39 39 LEU CB C 13 41.641 0.4 . 1 . . . . . . . . 6074 1 170 . 1 1 40 40 GLU N N 15 120.451 0.1 . 1 . . . . . . . . 6074 1 171 . 1 1 40 40 GLU H H 1 7.634 0.02 . 1 . . . . . . . . 6074 1 172 . 1 1 40 40 GLU CA C 13 60.632 0.4 . 1 . . . . . . . . 6074 1 173 . 1 1 40 40 GLU C C 13 180.578 0.4 . 1 . . . . . . . . 6074 1 174 . 1 1 40 40 GLU CB C 13 30.011 0.4 . 1 . . . . . . . . 6074 1 175 . 1 1 41 41 GLN N N 15 119.439 0.1 . 1 . . . . . . . . 6074 1 176 . 1 1 41 41 GLN H H 1 8.725 0.02 . 1 . . . . . . . . 6074 1 177 . 1 1 41 41 GLN CA C 13 59.871 0.4 . 1 . . . . . . . . 6074 1 178 . 1 1 41 41 GLN C C 13 179.332 0.4 . 1 . . . . . . . . 6074 1 179 . 1 1 41 41 GLN CB C 13 28.318 0.4 . 1 . . . . . . . . 6074 1 180 . 1 1 42 42 HIS N N 15 122.23 0.1 . 1 . . . . . . . . 6074 1 181 . 1 1 42 42 HIS H H 1 8.484 0.02 . 1 . . . . . . . . 6074 1 182 . 1 1 42 42 HIS CA C 13 63.974 0.4 . 1 . . . . . . . . 6074 1 183 . 1 1 42 42 HIS C C 13 177.587 0.4 . 1 . . . . . . . . 6074 1 184 . 1 1 42 42 HIS CB C 13 31.857 0.4 . 1 . . . . . . . . 6074 1 185 . 1 1 43 43 ASN N N 15 116.087 0.1 . 1 . . . . . . . . 6074 1 186 . 1 1 43 43 ASN H H 1 8.629 0.02 . 1 . . . . . . . . 6074 1 187 . 1 1 43 43 ASN CA C 13 57.473 0.4 . 1 . . . . . . . . 6074 1 188 . 1 1 43 43 ASN C C 13 178.118 0.4 . 1 . . . . . . . . 6074 1 189 . 1 1 43 43 ASN CB C 13 38.701 0.4 . 1 . . . . . . . . 6074 1 190 . 1 1 44 44 ALA N N 15 122.242 0.1 . 1 . . . . . . . . 6074 1 191 . 1 1 44 44 ALA H H 1 8.206 0.02 . 1 . . . . . . . . 6074 1 192 . 1 1 44 44 ALA CA C 13 55.953 0.4 . 1 . . . . . . . . 6074 1 193 . 1 1 44 44 ALA C C 13 180.406 0.4 . 1 . . . . . . . . 6074 1 194 . 1 1 44 44 ALA CB C 13 18.743 0.4 . 1 . . . . . . . . 6074 1 195 . 1 1 45 45 TYR N N 15 122.618 0.1 . 1 . . . . . . . . 6074 1 196 . 1 1 45 45 TYR H H 1 8.092 0.02 . 1 . . . . . . . . 6074 1 197 . 1 1 45 45 TYR CA C 13 62.099 0.4 . 1 . . . . . . . . 6074 1 198 . 1 1 45 45 TYR C C 13 176.048 0.4 . 1 . . . . . . . . 6074 1 199 . 1 1 45 45 TYR CB C 13 38.653 0.4 . 1 . . . . . . . . 6074 1 200 . 1 1 46 46 ILE N N 15 119.181 0.1 . 1 . . . . . . . . 6074 1 201 . 1 1 46 46 ILE H H 1 8.243 0.02 . 1 . . . . . . . . 6074 1 202 . 1 1 46 46 ILE CA C 13 63.287 0.4 . 1 . . . . . . . . 6074 1 203 . 1 1 46 46 ILE C C 13 178.254 0.4 . 1 . . . . . . . . 6074 1 204 . 1 1 46 46 ILE CB C 13 35.429 0.4 . 1 . . . . . . . . 6074 1 205 . 1 1 47 47 GLU N N 15 118.759 0.1 . 1 . . . . . . . . 6074 1 206 . 1 1 47 47 GLU H H 1 8.265 0.02 . 1 . . . . . . . . 6074 1 207 . 1 1 47 47 GLU CA C 13 60.372 0.4 . 1 . . . . . . . . 6074 1 208 . 1 1 47 47 GLU C C 13 179.526 0.4 . 1 . . . . . . . . 6074 1 209 . 1 1 47 47 GLU CB C 13 29.786 0.4 . 1 . . . . . . . . 6074 1 210 . 1 1 48 48 ALA N N 15 120.32 0.1 . 1 . . . . . . . . 6074 1 211 . 1 1 48 48 ALA H H 1 7.723 0.02 . 1 . . . . . . . . 6074 1 212 . 1 1 48 48 ALA CA C 13 55.691 0.4 . 1 . . . . . . . . 6074 1 213 . 1 1 48 48 ALA C C 13 181.64 0.4 . 1 . . . . . . . . 6074 1 214 . 1 1 48 48 ALA CB C 13 18.924 0.4 . 1 . . . . . . . . 6074 1 215 . 1 1 49 49 LEU N N 15 121.098 0.1 . 1 . . . . . . . . 6074 1 216 . 1 1 49 49 LEU H H 1 7.851 0.02 . 1 . . . . . . . . 6074 1 217 . 1 1 49 49 LEU CA C 13 59.078 0.4 . 1 . . . . . . . . 6074 1 218 . 1 1 49 49 LEU C C 13 178.6 0.4 . 1 . . . . . . . . 6074 1 219 . 1 1 49 49 LEU CB C 13 42.03 0.4 . 1 . . . . . . . . 6074 1 220 . 1 1 50 50 GLN N N 15 116.352 0.1 . 1 . . . . . . . . 6074 1 221 . 1 1 50 50 GLN H H 1 8.275 0.02 . 1 . . . . . . . . 6074 1 222 . 1 1 50 50 GLN CA C 13 58.985 0.4 . 1 . . . . . . . . 6074 1 223 . 1 1 50 50 GLN C C 13 177.642 0.4 . 1 . . . . . . . . 6074 1 224 . 1 1 50 50 GLN CB C 13 28.969 0.4 . 1 . . . . . . . . 6074 1 225 . 1 1 51 51 THR N N 15 108.382 0.1 . 1 . . . . . . . . 6074 1 226 . 1 1 51 51 THR H H 1 7.392 0.02 . 1 . . . . . . . . 6074 1 227 . 1 1 51 51 THR CA C 13 63.635 0.4 . 1 . . . . . . . . 6074 1 228 . 1 1 51 51 THR C C 13 175.359 0.4 . 1 . . . . . . . . 6074 1 229 . 1 1 51 51 THR CB C 13 70.295 0.4 . 1 . . . . . . . . 6074 1 230 . 1 1 52 52 CYS N N 15 117.454 0.1 . 1 . . . . . . . . 6074 1 231 . 1 1 52 52 CYS H H 1 7.557 0.02 . 1 . . . . . . . . 6074 1 232 . 1 1 52 52 CYS CA C 13 61.012 0.4 . 1 . . . . . . . . 6074 1 233 . 1 1 52 52 CYS C C 13 172.769 0.4 . 1 . . . . . . . . 6074 1 234 . 1 1 52 52 CYS CB C 13 28.388 0.4 . 1 . . . . . . . . 6074 1 235 . 1 1 53 53 ASP N N 15 115.817 0.1 . 1 . . . . . . . . 6074 1 236 . 1 1 53 53 ASP H H 1 8.11 0.02 . 1 . . . . . . . . 6074 1 237 . 1 1 53 53 ASP CA C 13 56.891 0.4 . 1 . . . . . . . . 6074 1 238 . 1 1 53 53 ASP C C 13 173.5 0.4 . 1 . . . . . . . . 6074 1 239 . 1 1 53 53 ASP CB C 13 39.411 0.4 . 1 . . . . . . . . 6074 1 240 . 1 1 54 54 VAL N N 15 105.61 0.1 . 1 . . . . . . . . 6074 1 241 . 1 1 54 54 VAL H H 1 6.595 0.02 . 1 . . . . . . . . 6074 1 242 . 1 1 54 54 VAL CA C 13 59.217 0.4 . 1 . . . . . . . . 6074 1 243 . 1 1 54 54 VAL C C 13 174.605 0.4 . 1 . . . . . . . . 6074 1 244 . 1 1 54 54 VAL CB C 13 36.18 0.4 . 1 . . . . . . . . 6074 1 245 . 1 1 55 55 ASP N N 15 119.037 0.1 . 1 . . . . . . . . 6074 1 246 . 1 1 55 55 ASP H H 1 7.836 0.02 . 1 . . . . . . . . 6074 1 247 . 1 1 55 55 ASP CA C 13 53.402 0.4 . 1 . . . . . . . . 6074 1 248 . 1 1 55 55 ASP C C 13 175.271 0.4 . 1 . . . . . . . . 6074 1 249 . 1 1 55 55 ASP CB C 13 43.328 0.4 . 1 . . . . . . . . 6074 1 250 . 1 1 56 56 ILE N N 15 120.954 0.1 . 1 . . . . . . . . 6074 1 251 . 1 1 56 56 ILE H H 1 8.575 0.02 . 1 . . . . . . . . 6074 1 252 . 1 1 56 56 ILE CA C 13 61.058 0.4 . 1 . . . . . . . . 6074 1 253 . 1 1 56 56 ILE C C 13 176.44 0.4 . 1 . . . . . . . . 6074 1 254 . 1 1 56 56 ILE CB C 13 39.573 0.4 . 1 . . . . . . . . 6074 1 255 . 1 1 57 57 THR N N 15 127.729 0.1 . 1 . . . . . . . . 6074 1 256 . 1 1 57 57 THR H H 1 8.841 0.02 . 1 . . . . . . . . 6074 1 257 . 1 1 57 57 THR CA C 13 64.141 0.4 . 1 . . . . . . . . 6074 1 258 . 1 1 57 57 THR C C 13 171.969 0.4 . 1 . . . . . . . . 6074 1 259 . 1 1 57 57 THR CB C 13 70.41 0.4 . 1 . . . . . . . . 6074 1 260 . 1 1 58 58 LEU N N 15 129.26 0.1 . 1 . . . . . . . . 6074 1 261 . 1 1 58 58 LEU H H 1 8.833 0.02 . 1 . . . . . . . . 6074 1 262 . 1 1 58 58 LEU CA C 13 53.973 0.4 . 1 . . . . . . . . 6074 1 263 . 1 1 58 58 LEU C C 13 176.053 0.4 . 1 . . . . . . . . 6074 1 264 . 1 1 58 58 LEU CB C 13 43.802 0.4 . 1 . . . . . . . . 6074 1 265 . 1 1 59 59 LEU N N 15 130.3 0.1 . 1 . . . . . . . . 6074 1 266 . 1 1 59 59 LEU H H 1 9.442 0.02 . 1 . . . . . . . . 6074 1 267 . 1 1 59 59 LEU CA C 13 53.43 0.4 . 1 . . . . . . . . 6074 1 268 . 1 1 59 59 LEU CB C 13 41.32 0.4 . 1 . . . . . . . . 6074 1 269 . 1 1 61 61 PRO CA C 13 63.152 0.4 . 1 . . . . . . . . 6074 1 270 . 1 1 61 61 PRO C C 13 177.861 0.4 . 1 . . . . . . . . 6074 1 271 . 1 1 61 61 PRO CB C 13 32.479 0.4 . 1 . . . . . . . . 6074 1 272 . 1 1 62 62 ASP N N 15 119.822 0.1 . 1 . . . . . . . . 6074 1 273 . 1 1 62 62 ASP H H 1 8.092 0.02 . 1 . . . . . . . . 6074 1 274 . 1 1 62 62 ASP CA C 13 54.097 0.4 . 1 . . . . . . . . 6074 1 275 . 1 1 62 62 ASP C C 13 176.198 0.4 . 1 . . . . . . . . 6074 1 276 . 1 1 62 62 ASP CB C 13 44.188 0.4 . 1 . . . . . . . . 6074 1 277 . 1 1 63 63 GLU N N 15 121.382 0.1 . 1 . . . . . . . . 6074 1 278 . 1 1 63 63 GLU H H 1 8.649 0.02 . 1 . . . . . . . . 6074 1 279 . 1 1 63 63 GLU CA C 13 58.447 0.4 . 1 . . . . . . . . 6074 1 280 . 1 1 63 63 GLU C C 13 178.958 0.4 . 1 . . . . . . . . 6074 1 281 . 1 1 63 63 GLU CB C 13 30.437 0.4 . 1 . . . . . . . . 6074 1 282 . 1 1 64 64 ARG N N 15 116.243 0.1 . 1 . . . . . . . . 6074 1 283 . 1 1 64 64 ARG H H 1 8.178 0.02 . 1 . . . . . . . . 6074 1 284 . 1 1 64 64 ARG CA C 13 58.256 0.4 . 1 . . . . . . . . 6074 1 285 . 1 1 64 64 ARG C C 13 175.957 0.4 . 1 . . . . . . . . 6074 1 286 . 1 1 64 64 ARG CB C 13 30.968 0.4 . 1 . . . . . . . . 6074 1 287 . 1 1 65 65 PHE N N 15 113.922 0.1 . 1 . . . . . . . . 6074 1 288 . 1 1 65 65 PHE H H 1 7.506 0.02 . 1 . . . . . . . . 6074 1 289 . 1 1 65 65 PHE CA C 13 56.28 0.4 . 1 . . . . . . . . 6074 1 290 . 1 1 65 65 PHE CB C 13 41.665 0.4 . 1 . . . . . . . . 6074 1 291 . 1 1 66 66 PRO CA C 13 66.864 0.4 . 1 . . . . . . . . 6074 1 292 . 1 1 66 66 PRO C C 13 177.822 0.4 . 1 . . . . . . . . 6074 1 293 . 1 1 66 66 PRO CB C 13 33.627 0.4 . 1 . . . . . . . . 6074 1 294 . 1 1 67 67 ASP N N 15 113.826 0.1 . 1 . . . . . . . . 6074 1 295 . 1 1 67 67 ASP H H 1 8.574 0.02 . 1 . . . . . . . . 6074 1 296 . 1 1 67 67 ASP CA C 13 55.478 0.4 . 1 . . . . . . . . 6074 1 297 . 1 1 67 67 ASP C C 13 177.535 0.4 . 1 . . . . . . . . 6074 1 298 . 1 1 67 67 ASP CB C 13 43.072 0.4 . 1 . . . . . . . . 6074 1 299 . 1 1 68 68 SER N N 15 112.908 0.1 . 1 . . . . . . . . 6074 1 300 . 1 1 68 68 SER H H 1 8.172 0.02 . 1 . . . . . . . . 6074 1 301 . 1 1 68 68 SER CA C 13 62.083 0.4 . 1 . . . . . . . . 6074 1 302 . 1 1 68 68 SER C C 13 175.769 0.4 . 1 . . . . . . . . 6074 1 303 . 1 1 68 68 SER CB C 13 64.093 0.4 . 1 . . . . . . . . 6074 1 304 . 1 1 69 69 VAL N N 15 121.033 0.1 . 1 . . . . . . . . 6074 1 305 . 1 1 69 69 VAL H H 1 7.141 0.02 . 1 . . . . . . . . 6074 1 306 . 1 1 69 69 VAL CA C 13 63.406 0.4 . 1 . . . . . . . . 6074 1 307 . 1 1 69 69 VAL C C 13 176.119 0.4 . 1 . . . . . . . . 6074 1 308 . 1 1 69 69 VAL CB C 13 31.741 0.4 . 1 . . . . . . . . 6074 1 309 . 1 1 70 70 PHE N N 15 125.996 0.1 . 1 . . . . . . . . 6074 1 310 . 1 1 70 70 PHE H H 1 8.262 0.02 . 1 . . . . . . . . 6074 1 311 . 1 1 70 70 PHE CA C 13 54.816 0.4 . 1 . . . . . . . . 6074 1 312 . 1 1 70 70 PHE C C 13 177.73 0.4 . 1 . . . . . . . . 6074 1 313 . 1 1 70 70 PHE CB C 13 35.289 0.4 . 1 . . . . . . . . 6074 1 314 . 1 1 71 71 VAL N N 15 115.857 0.1 . 1 . . . . . . . . 6074 1 315 . 1 1 71 71 VAL H H 1 7.494 0.02 . 1 . . . . . . . . 6074 1 316 . 1 1 71 71 VAL CA C 13 63.456 0.4 . 1 . . . . . . . . 6074 1 317 . 1 1 71 71 VAL C C 13 173.781 0.4 . 1 . . . . . . . . 6074 1 318 . 1 1 71 71 VAL CB C 13 31.99 0.4 . 1 . . . . . . . . 6074 1 319 . 1 1 72 72 GLU N N 15 116.378 0.1 . 1 . . . . . . . . 6074 1 320 . 1 1 72 72 GLU H H 1 7.626 0.02 . 1 . . . . . . . . 6074 1 321 . 1 1 72 72 GLU CA C 13 59.293 0.4 . 1 . . . . . . . . 6074 1 322 . 1 1 72 72 GLU C C 13 175.833 0.4 . 1 . . . . . . . . 6074 1 323 . 1 1 72 72 GLU CB C 13 31.818 0.4 . 1 . . . . . . . . 6074 1 324 . 1 1 73 73 ASP N N 15 108.831 0.1 . 1 . . . . . . . . 6074 1 325 . 1 1 73 73 ASP H H 1 6.857 0.02 . 1 . . . . . . . . 6074 1 326 . 1 1 73 73 ASP CA C 13 60.531 0.4 . 1 . . . . . . . . 6074 1 327 . 1 1 73 73 ASP CB C 13 40.638 0.4 . 1 . . . . . . . . 6074 1 328 . 1 1 74 74 PRO CA C 13 65.998 0.4 . 1 . . . . . . . . 6074 1 329 . 1 1 74 74 PRO C C 13 173.838 0.4 . 1 . . . . . . . . 6074 1 330 . 1 1 74 74 PRO CB C 13 33.554 0.4 . 1 . . . . . . . . 6074 1 331 . 1 1 75 75 VAL N N 15 114.303 0.1 . 1 . . . . . . . . 6074 1 332 . 1 1 75 75 VAL H H 1 6.941 0.02 . 1 . . . . . . . . 6074 1 333 . 1 1 75 75 VAL CA C 13 61.186 0.4 . 1 . . . . . . . . 6074 1 334 . 1 1 75 75 VAL C C 13 170.995 0.4 . 1 . . . . . . . . 6074 1 335 . 1 1 75 75 VAL CB C 13 36.004 0.4 . 1 . . . . . . . . 6074 1 336 . 1 1 76 76 LEU N N 15 122.976 0.1 . 1 . . . . . . . . 6074 1 337 . 1 1 76 76 LEU H H 1 8.666 0.02 . 1 . . . . . . . . 6074 1 338 . 1 1 76 76 LEU CA C 13 53.878 0.4 . 1 . . . . . . . . 6074 1 339 . 1 1 76 76 LEU C C 13 175.377 0.4 . 1 . . . . . . . . 6074 1 340 . 1 1 76 76 LEU CB C 13 45.901 0.4 . 1 . . . . . . . . 6074 1 341 . 1 1 77 77 CYS N N 15 127.05 0.1 . 1 . . . . . . . . 6074 1 342 . 1 1 77 77 CYS H H 1 10.113 0.02 . 1 . . . . . . . . 6074 1 343 . 1 1 77 77 CYS CA C 13 60.506 0.4 . 1 . . . . . . . . 6074 1 344 . 1 1 77 77 CYS C C 13 174.642 0.4 . 1 . . . . . . . . 6074 1 345 . 1 1 77 77 CYS CB C 13 29.001 0.4 . 1 . . . . . . . . 6074 1 346 . 1 1 78 78 THR N N 15 115.834 0.1 . 1 . . . . . . . . 6074 1 347 . 1 1 78 78 THR H H 1 8.158 0.02 . 1 . . . . . . . . 6074 1 348 . 1 1 78 78 THR CA C 13 61.244 0.4 . 1 . . . . . . . . 6074 1 349 . 1 1 78 78 THR C C 13 175.481 0.4 . 1 . . . . . . . . 6074 1 350 . 1 1 78 78 THR CB C 13 73.016 0.4 . 1 . . . . . . . . 6074 1 351 . 1 1 79 79 SER N N 15 116.608 0.1 . 1 . . . . . . . . 6074 1 352 . 1 1 79 79 SER H H 1 10.069 0.02 . 1 . . . . . . . . 6074 1 353 . 1 1 79 79 SER CA C 13 61.408 0.4 . 1 . . . . . . . . 6074 1 354 . 1 1 79 79 SER C C 13 176.337 0.4 . 1 . . . . . . . . 6074 1 355 . 1 1 79 79 SER CB C 13 63.901 0.4 . 1 . . . . . . . . 6074 1 356 . 1 1 80 80 ARG N N 15 117.566 0.1 . 1 . . . . . . . . 6074 1 357 . 1 1 80 80 ARG H H 1 7.945 0.02 . 1 . . . . . . . . 6074 1 358 . 1 1 80 80 ARG CA C 13 56.777 0.4 . 1 . . . . . . . . 6074 1 359 . 1 1 80 80 ARG C C 13 175.166 0.4 . 1 . . . . . . . . 6074 1 360 . 1 1 80 80 ARG CB C 13 34.081 0.4 . 1 . . . . . . . . 6074 1 361 . 1 1 81 81 CYS N N 15 109.276 0.1 . 1 . . . . . . . . 6074 1 362 . 1 1 81 81 CYS H H 1 7.115 0.02 . 1 . . . . . . . . 6074 1 363 . 1 1 81 81 CYS CA C 13 57.484 0.4 . 1 . . . . . . . . 6074 1 364 . 1 1 81 81 CYS C C 13 171.265 0.4 . 1 . . . . . . . . 6074 1 365 . 1 1 81 81 CYS CB C 13 29.573 0.4 . 1 . . . . . . . . 6074 1 366 . 1 1 82 82 ALA N N 15 123.072 0.1 . 1 . . . . . . . . 6074 1 367 . 1 1 82 82 ALA H H 1 8.206 0.02 . 1 . . . . . . . . 6074 1 368 . 1 1 82 82 ALA CA C 13 50.628 0.4 . 1 . . . . . . . . 6074 1 369 . 1 1 82 82 ALA C C 13 175.243 0.4 . 1 . . . . . . . . 6074 1 370 . 1 1 82 82 ALA CB C 13 21.74 0.4 . 1 . . . . . . . . 6074 1 371 . 1 1 83 83 ILE N N 15 119.942 0.1 . 1 . . . . . . . . 6074 1 372 . 1 1 83 83 ILE H H 1 9.108 0.02 . 1 . . . . . . . . 6074 1 373 . 1 1 83 83 ILE CA C 13 60.873 0.4 . 1 . . . . . . . . 6074 1 374 . 1 1 83 83 ILE C C 13 175.222 0.4 . 1 . . . . . . . . 6074 1 375 . 1 1 83 83 ILE CB C 13 41.185 0.4 . 1 . . . . . . . . 6074 1 376 . 1 1 84 84 ILE N N 15 128.817 0.1 . 1 . . . . . . . . 6074 1 377 . 1 1 84 84 ILE H H 1 9.07 0.02 . 1 . . . . . . . . 6074 1 378 . 1 1 84 84 ILE CA C 13 61.056 0.4 . 1 . . . . . . . . 6074 1 379 . 1 1 84 84 ILE C C 13 176.73 0.4 . 1 . . . . . . . . 6074 1 380 . 1 1 84 84 ILE CB C 13 36.161 0.4 . 1 . . . . . . . . 6074 1 381 . 1 1 85 85 THR N N 15 119.326 0.1 . 1 . . . . . . . . 6074 1 382 . 1 1 85 85 THR H H 1 8.226 0.02 . 1 . . . . . . . . 6074 1 383 . 1 1 85 85 THR CA C 13 61.452 0.4 . 1 . . . . . . . . 6074 1 384 . 1 1 85 85 THR C C 13 172.472 0.4 . 1 . . . . . . . . 6074 1 385 . 1 1 85 85 THR CB C 13 66.02 0.4 . 1 . . . . . . . . 6074 1 386 . 1 1 86 86 ARG N N 15 112.397 0.1 . 1 . . . . . . . . 6074 1 387 . 1 1 86 86 ARG H H 1 7.432 0.02 . 1 . . . . . . . . 6074 1 388 . 1 1 86 86 ARG CA C 13 55.903 0.4 . 1 . . . . . . . . 6074 1 389 . 1 1 86 86 ARG CB C 13 30.653 0.4 . 1 . . . . . . . . 6074 1 390 . 1 1 87 87 PRO CA C 13 64.914 0.4 . 1 . . . . . . . . 6074 1 391 . 1 1 87 87 PRO C C 13 175.077 0.4 . 1 . . . . . . . . 6074 1 392 . 1 1 87 87 PRO CB C 13 32.798 0.4 . 1 . . . . . . . . 6074 1 393 . 1 1 88 88 GLY N N 15 111.296 0.1 . 1 . . . . . . . . 6074 1 394 . 1 1 88 88 GLY H H 1 9.058 0.02 . 1 . . . . . . . . 6074 1 395 . 1 1 88 88 GLY CA C 13 47.898 0.4 . 1 . . . . . . . . 6074 1 396 . 1 1 88 88 GLY C C 13 174.979 0.4 . 1 . . . . . . . . 6074 1 397 . 1 1 89 89 ALA N N 15 122.786 0.1 . 1 . . . . . . . . 6074 1 398 . 1 1 89 89 ALA H H 1 7.878 0.02 . 1 . . . . . . . . 6074 1 399 . 1 1 89 89 ALA CA C 13 52.327 0.4 . 1 . . . . . . . . 6074 1 400 . 1 1 89 89 ALA C C 13 178.432 0.4 . 1 . . . . . . . . 6074 1 401 . 1 1 89 89 ALA CB C 13 18.499 0.4 . 1 . . . . . . . . 6074 1 402 . 1 1 90 90 GLU N N 15 126.94 0.1 . 1 . . . . . . . . 6074 1 403 . 1 1 90 90 GLU H H 1 9.018 0.02 . 1 . . . . . . . . 6074 1 404 . 1 1 90 90 GLU CA C 13 61.358 0.4 . 1 . . . . . . . . 6074 1 405 . 1 1 90 90 GLU C C 13 179.211 0.4 . 1 . . . . . . . . 6074 1 406 . 1 1 90 90 GLU CB C 13 29.81 0.4 . 1 . . . . . . . . 6074 1 407 . 1 1 91 91 SER N N 15 112.516 0.1 . 1 . . . . . . . . 6074 1 408 . 1 1 91 91 SER H H 1 8.621 0.02 . 1 . . . . . . . . 6074 1 409 . 1 1 91 91 SER CA C 13 61.598 0.4 . 1 . . . . . . . . 6074 1 410 . 1 1 91 91 SER C C 13 175.375 0.4 . 1 . . . . . . . . 6074 1 411 . 1 1 91 91 SER CB C 13 63.334 0.4 . 1 . . . . . . . . 6074 1 412 . 1 1 92 92 ARG N N 15 116.781 0.1 . 1 . . . . . . . . 6074 1 413 . 1 1 92 92 ARG H H 1 7.497 0.02 . 1 . . . . . . . . 6074 1 414 . 1 1 92 92 ARG CA C 13 57.684 0.4 . 1 . . . . . . . . 6074 1 415 . 1 1 92 92 ARG C C 13 178.307 0.4 . 1 . . . . . . . . 6074 1 416 . 1 1 92 92 ARG CB C 13 30.655 0.4 . 1 . . . . . . . . 6074 1 417 . 1 1 93 93 ARG N N 15 121.568 0.1 . 1 . . . . . . . . 6074 1 418 . 1 1 93 93 ARG H H 1 7.662 0.02 . 1 . . . . . . . . 6074 1 419 . 1 1 93 93 ARG CA C 13 61.982 0.4 . 1 . . . . . . . . 6074 1 420 . 1 1 93 93 ARG C C 13 178.874 0.4 . 1 . . . . . . . . 6074 1 421 . 1 1 93 93 ARG CB C 13 29.696 0.4 . 1 . . . . . . . . 6074 1 422 . 1 1 94 94 GLY N N 15 104.139 0.1 . 1 . . . . . . . . 6074 1 423 . 1 1 94 94 GLY H H 1 8.985 0.02 . 1 . . . . . . . . 6074 1 424 . 1 1 94 94 GLY CA C 13 47.264 0.4 . 1 . . . . . . . . 6074 1 425 . 1 1 94 94 GLY C C 13 175.147 0.4 . 1 . . . . . . . . 6074 1 426 . 1 1 95 95 GLU N N 15 119.106 0.1 . 1 . . . . . . . . 6074 1 427 . 1 1 95 95 GLU H H 1 7.527 0.02 . 1 . . . . . . . . 6074 1 428 . 1 1 95 95 GLU CA C 13 59.312 0.4 . 1 . . . . . . . . 6074 1 429 . 1 1 95 95 GLU C C 13 179.699 0.4 . 1 . . . . . . . . 6074 1 430 . 1 1 95 95 GLU CB C 13 31.327 0.4 . 1 . . . . . . . . 6074 1 431 . 1 1 96 96 THR N N 15 107.11 0.1 . 1 . . . . . . . . 6074 1 432 . 1 1 96 96 THR H H 1 7.522 0.02 . 1 . . . . . . . . 6074 1 433 . 1 1 96 96 THR CA C 13 65.36 0.4 . 1 . . . . . . . . 6074 1 434 . 1 1 96 96 THR C C 13 176.859 0.4 . 1 . . . . . . . . 6074 1 435 . 1 1 96 96 THR CB C 13 67.842 0.4 . 1 . . . . . . . . 6074 1 436 . 1 1 97 97 GLU N N 15 120.522 0.1 . 1 . . . . . . . . 6074 1 437 . 1 1 97 97 GLU H H 1 6.852 0.02 . 1 . . . . . . . . 6074 1 438 . 1 1 97 97 GLU CA C 13 59.428 0.4 . 1 . . . . . . . . 6074 1 439 . 1 1 97 97 GLU C C 13 179.554 0.4 . 1 . . . . . . . . 6074 1 440 . 1 1 97 97 GLU CB C 13 30.272 0.4 . 1 . . . . . . . . 6074 1 441 . 1 1 98 98 ILE N N 15 106.499 0.1 . 1 . . . . . . . . 6074 1 442 . 1 1 98 98 ILE H H 1 6.674 0.02 . 1 . . . . . . . . 6074 1 443 . 1 1 98 98 ILE CA C 13 63.57 0.4 . 1 . . . . . . . . 6074 1 444 . 1 1 98 98 ILE C C 13 176.665 0.4 . 1 . . . . . . . . 6074 1 445 . 1 1 98 98 ILE CB C 13 37.907 0.4 . 1 . . . . . . . . 6074 1 446 . 1 1 99 99 ILE N N 15 121.519 0.1 . 1 . . . . . . . . 6074 1 447 . 1 1 99 99 ILE H H 1 7.201 0.02 . 1 . . . . . . . . 6074 1 448 . 1 1 99 99 ILE CA C 13 61.066 0.4 . 1 . . . . . . . . 6074 1 449 . 1 1 99 99 ILE C C 13 175.551 0.4 . 1 . . . . . . . . 6074 1 450 . 1 1 99 99 ILE CB C 13 42.216 0.4 . 1 . . . . . . . . 6074 1 451 . 1 1 100 100 GLU N N 15 123.635 0.1 . 1 . . . . . . . . 6074 1 452 . 1 1 100 100 GLU H H 1 7.225 0.02 . 1 . . . . . . . . 6074 1 453 . 1 1 100 100 GLU CA C 13 61.765 0.4 . 1 . . . . . . . . 6074 1 454 . 1 1 100 100 GLU C C 13 177.305 0.4 . 1 . . . . . . . . 6074 1 455 . 1 1 100 100 GLU CB C 13 29.464 0.4 . 1 . . . . . . . . 6074 1 456 . 1 1 101 101 GLU N N 15 118.117 0.1 . 1 . . . . . . . . 6074 1 457 . 1 1 101 101 GLU H H 1 8.957 0.02 . 1 . . . . . . . . 6074 1 458 . 1 1 101 101 GLU CA C 13 60.928 0.4 . 1 . . . . . . . . 6074 1 459 . 1 1 101 101 GLU C C 13 179.27 0.4 . 1 . . . . . . . . 6074 1 460 . 1 1 101 101 GLU CB C 13 29.738 0.4 . 1 . . . . . . . . 6074 1 461 . 1 1 102 102 THR N N 15 116.224 0.1 . 1 . . . . . . . . 6074 1 462 . 1 1 102 102 THR H H 1 7.547 0.02 . 1 . . . . . . . . 6074 1 463 . 1 1 102 102 THR CA C 13 68.012 0.4 . 1 . . . . . . . . 6074 1 464 . 1 1 102 102 THR C C 13 176.326 0.4 . 1 . . . . . . . . 6074 1 465 . 1 1 102 102 THR CB C 13 69.088 0.4 . 1 . . . . . . . . 6074 1 466 . 1 1 103 103 VAL N N 15 119.505 0.1 . 1 . . . . . . . . 6074 1 467 . 1 1 103 103 VAL H H 1 7.659 0.02 . 1 . . . . . . . . 6074 1 468 . 1 1 103 103 VAL CA C 13 68.33 0.4 . 1 . . . . . . . . 6074 1 469 . 1 1 103 103 VAL C C 13 178.237 0.4 . 1 . . . . . . . . 6074 1 470 . 1 1 103 103 VAL CB C 13 31.998 0.4 . 1 . . . . . . . . 6074 1 471 . 1 1 104 104 GLN N N 15 118.241 0.1 . 1 . . . . . . . . 6074 1 472 . 1 1 104 104 GLN H H 1 8.696 0.02 . 1 . . . . . . . . 6074 1 473 . 1 1 104 104 GLN CA C 13 59.531 0.4 . 1 . . . . . . . . 6074 1 474 . 1 1 104 104 GLN CB C 13 28.113 0.4 . 1 . . . . . . . . 6074 1 475 . 1 1 105 105 HIS N N 15 115.355 0.1 . 1 . . . . . . . . 6074 1 476 . 1 1 105 105 HIS H H 1 7.311 0.02 . 1 . . . . . . . . 6074 1 477 . 1 1 105 105 HIS CA C 13 59.976 0.4 . 1 . . . . . . . . 6074 1 478 . 1 1 105 105 HIS C C 13 176.855 0.4 . 1 . . . . . . . . 6074 1 479 . 1 1 105 105 HIS CB C 13 29.76 0.4 . 1 . . . . . . . . 6074 1 480 . 1 1 106 106 PHE N N 15 114.302 0.1 . 1 . . . . . . . . 6074 1 481 . 1 1 106 106 PHE H H 1 7.195 0.02 . 1 . . . . . . . . 6074 1 482 . 1 1 106 106 PHE CA C 13 61.427 0.4 . 1 . . . . . . . . 6074 1 483 . 1 1 106 106 PHE C C 13 175.391 0.4 . 1 . . . . . . . . 6074 1 484 . 1 1 106 106 PHE CB C 13 42.192 0.4 . 1 . . . . . . . . 6074 1 485 . 1 1 107 107 TYR N N 15 119.348 0.1 . 1 . . . . . . . . 6074 1 486 . 1 1 107 107 TYR H H 1 8.01 0.02 . 1 . . . . . . . . 6074 1 487 . 1 1 107 107 TYR CA C 13 57.426 0.4 . 1 . . . . . . . . 6074 1 488 . 1 1 107 107 TYR CB C 13 39.017 0.4 . 1 . . . . . . . . 6074 1 489 . 1 1 108 108 PRO CA C 13 65.393 0.4 . 1 . . . . . . . . 6074 1 490 . 1 1 108 108 PRO C C 13 180.197 0.4 . 1 . . . . . . . . 6074 1 491 . 1 1 108 108 PRO CB C 13 31.094 0.4 . 1 . . . . . . . . 6074 1 492 . 1 1 109 109 GLY N N 15 113.309 0.1 . 1 . . . . . . . . 6074 1 493 . 1 1 109 109 GLY H H 1 8.926 0.02 . 1 . . . . . . . . 6074 1 494 . 1 1 109 109 GLY CA C 13 47.026 0.4 . 1 . . . . . . . . 6074 1 495 . 1 1 109 109 GLY C C 13 175.535 0.4 . 1 . . . . . . . . 6074 1 496 . 1 1 110 110 LYS N N 15 121.418 0.1 . 1 . . . . . . . . 6074 1 497 . 1 1 110 110 LYS H H 1 8.26 0.02 . 1 . . . . . . . . 6074 1 498 . 1 1 110 110 LYS CA C 13 55.279 0.4 . 1 . . . . . . . . 6074 1 499 . 1 1 110 110 LYS C C 13 174.099 0.4 . 1 . . . . . . . . 6074 1 500 . 1 1 110 110 LYS CB C 13 34.266 0.4 . 1 . . . . . . . . 6074 1 501 . 1 1 111 111 VAL N N 15 119.394 0.1 . 1 . . . . . . . . 6074 1 502 . 1 1 111 111 VAL H H 1 7.806 0.02 . 1 . . . . . . . . 6074 1 503 . 1 1 111 111 VAL CA C 13 63.061 0.4 . 1 . . . . . . . . 6074 1 504 . 1 1 111 111 VAL C C 13 176.529 0.4 . 1 . . . . . . . . 6074 1 505 . 1 1 111 111 VAL CB C 13 33.355 0.4 . 1 . . . . . . . . 6074 1 506 . 1 1 112 112 GLU N N 15 129.111 0.1 . 1 . . . . . . . . 6074 1 507 . 1 1 112 112 GLU H H 1 8.925 0.02 . 1 . . . . . . . . 6074 1 508 . 1 1 112 112 GLU CA C 13 55.187 0.4 . 1 . . . . . . . . 6074 1 509 . 1 1 112 112 GLU C C 13 174.7 0.4 . 1 . . . . . . . . 6074 1 510 . 1 1 112 112 GLU CB C 13 32.952 0.4 . 1 . . . . . . . . 6074 1 511 . 1 1 113 113 ARG N N 15 116.246 0.1 . 1 . . . . . . . . 6074 1 512 . 1 1 113 113 ARG H H 1 8.992 0.02 . 1 . . . . . . . . 6074 1 513 . 1 1 113 113 ARG CA C 13 56.263 0.4 . 1 . . . . . . . . 6074 1 514 . 1 1 113 113 ARG C C 13 174.503 0.4 . 1 . . . . . . . . 6074 1 515 . 1 1 113 113 ARG CB C 13 33.393 0.4 . 1 . . . . . . . . 6074 1 516 . 1 1 114 114 ILE N N 15 120.512 0.1 . 1 . . . . . . . . 6074 1 517 . 1 1 114 114 ILE H H 1 7.597 0.02 . 1 . . . . . . . . 6074 1 518 . 1 1 114 114 ILE CA C 13 58.058 0.4 . 1 . . . . . . . . 6074 1 519 . 1 1 114 114 ILE C C 13 175.257 0.4 . 1 . . . . . . . . 6074 1 520 . 1 1 114 114 ILE CB C 13 36.474 0.4 . 1 . . . . . . . . 6074 1 521 . 1 1 115 115 GLU N N 15 125.841 0.1 . 1 . . . . . . . . 6074 1 522 . 1 1 115 115 GLU H H 1 9.474 0.02 . 1 . . . . . . . . 6074 1 523 . 1 1 115 115 GLU CA C 13 55.104 0.4 . 1 . . . . . . . . 6074 1 524 . 1 1 115 115 GLU C C 13 177.096 0.4 . 1 . . . . . . . . 6074 1 525 . 1 1 115 115 GLU CB C 13 33.592 0.4 . 1 . . . . . . . . 6074 1 526 . 1 1 116 116 ALA N N 15 126.141 0.1 . 1 . . . . . . . . 6074 1 527 . 1 1 116 116 ALA H H 1 9.151 0.02 . 1 . . . . . . . . 6074 1 528 . 1 1 116 116 ALA CA C 13 53.131 0.4 . 1 . . . . . . . . 6074 1 529 . 1 1 116 116 ALA CB C 13 17.62 0.4 . 1 . . . . . . . . 6074 1 530 . 1 1 117 117 PRO CA C 13 64.861 0.4 . 1 . . . . . . . . 6074 1 531 . 1 1 117 117 PRO C C 13 177.006 0.4 . 1 . . . . . . . . 6074 1 532 . 1 1 117 117 PRO CB C 13 33.421 0.4 . 1 . . . . . . . . 6074 1 533 . 1 1 118 118 GLY N N 15 113.633 0.1 . 1 . . . . . . . . 6074 1 534 . 1 1 118 118 GLY H H 1 9.044 0.02 . 1 . . . . . . . . 6074 1 535 . 1 1 118 118 GLY CA C 13 46.59 0.4 . 1 . . . . . . . . 6074 1 536 . 1 1 118 118 GLY C C 13 172.33 0.4 . 1 . . . . . . . . 6074 1 537 . 1 1 119 119 THR N N 15 114.7 0.1 . 1 . . . . . . . . 6074 1 538 . 1 1 119 119 THR H H 1 8.585 0.02 . 1 . . . . . . . . 6074 1 539 . 1 1 119 119 THR CA C 13 60.753 0.4 . 1 . . . . . . . . 6074 1 540 . 1 1 119 119 THR C C 13 172.877 0.4 . 1 . . . . . . . . 6074 1 541 . 1 1 119 119 THR CB C 13 71.002 0.4 . 1 . . . . . . . . 6074 1 542 . 1 1 120 120 VAL N N 15 118.869 0.1 . 1 . . . . . . . . 6074 1 543 . 1 1 120 120 VAL H H 1 8.313 0.02 . 1 . . . . . . . . 6074 1 544 . 1 1 120 120 VAL CA C 13 61.652 0.4 . 1 . . . . . . . . 6074 1 545 . 1 1 120 120 VAL C C 13 174.499 0.4 . 1 . . . . . . . . 6074 1 546 . 1 1 120 120 VAL CB C 13 38.661 0.4 . 1 . . . . . . . . 6074 1 547 . 1 1 121 121 GLU N N 15 124.291 0.1 . 1 . . . . . . . . 6074 1 548 . 1 1 121 121 GLU H H 1 8.496 0.02 . 1 . . . . . . . . 6074 1 549 . 1 1 121 121 GLU CA C 13 55.457 0.4 . 1 . . . . . . . . 6074 1 550 . 1 1 121 121 GLU C C 13 176.667 0.4 . 1 . . . . . . . . 6074 1 551 . 1 1 121 121 GLU CB C 13 31.823 0.4 . 1 . . . . . . . . 6074 1 552 . 1 1 122 122 ALA N N 15 125.378 0.1 . 1 . . . . . . . . 6074 1 553 . 1 1 122 122 ALA H H 1 9.58 0.02 . 1 . . . . . . . . 6074 1 554 . 1 1 122 122 ALA CA C 13 55.868 0.4 . 1 . . . . . . . . 6074 1 555 . 1 1 122 122 ALA C C 13 178.579 0.4 . 1 . . . . . . . . 6074 1 556 . 1 1 122 122 ALA CB C 13 17.569 0.4 . 1 . . . . . . . . 6074 1 557 . 1 1 123 123 GLY N N 15 110.294 0.1 . 1 . . . . . . . . 6074 1 558 . 1 1 123 123 GLY H H 1 8.418 0.02 . 1 . . . . . . . . 6074 1 559 . 1 1 123 123 GLY CA C 13 48.594 0.4 . 1 . . . . . . . . 6074 1 560 . 1 1 123 123 GLY C C 13 173.34 0.4 . 1 . . . . . . . . 6074 1 561 . 1 1 124 124 ASP N N 15 117.296 0.1 . 1 . . . . . . . . 6074 1 562 . 1 1 124 124 ASP H H 1 8.145 0.02 . 1 . . . . . . . . 6074 1 563 . 1 1 124 124 ASP CA C 13 56.691 0.4 . 1 . . . . . . . . 6074 1 564 . 1 1 124 124 ASP C C 13 174.277 0.4 . 1 . . . . . . . . 6074 1 565 . 1 1 124 124 ASP CB C 13 41.475 0.4 . 1 . . . . . . . . 6074 1 566 . 1 1 125 125 ILE N N 15 118.929 0.1 . 1 . . . . . . . . 6074 1 567 . 1 1 125 125 ILE H H 1 7.648 0.02 . 1 . . . . . . . . 6074 1 568 . 1 1 125 125 ILE CA C 13 61.65 0.4 . 1 . . . . . . . . 6074 1 569 . 1 1 125 125 ILE C C 13 173.11 0.4 . 1 . . . . . . . . 6074 1 570 . 1 1 125 125 ILE CB C 13 39.683 0.4 . 1 . . . . . . . . 6074 1 571 . 1 1 126 126 MET N N 15 127.527 0.1 . 1 . . . . . . . . 6074 1 572 . 1 1 126 126 MET H H 1 9.221 0.02 . 1 . . . . . . . . 6074 1 573 . 1 1 126 126 MET CA C 13 54.664 0.4 . 1 . . . . . . . . 6074 1 574 . 1 1 126 126 MET C C 13 174.057 0.4 . 1 . . . . . . . . 6074 1 575 . 1 1 126 126 MET CB C 13 38.301 0.4 . 1 . . . . . . . . 6074 1 576 . 1 1 127 127 MET N N 15 129.889 0.1 . 1 . . . . . . . . 6074 1 577 . 1 1 127 127 MET H H 1 9.35 0.02 . 1 . . . . . . . . 6074 1 578 . 1 1 127 127 MET CA C 13 56.291 0.4 . 1 . . . . . . . . 6074 1 579 . 1 1 127 127 MET C C 13 175.494 0.4 . 1 . . . . . . . . 6074 1 580 . 1 1 127 127 MET CB C 13 35.108 0.4 . 1 . . . . . . . . 6074 1 581 . 1 1 128 128 VAL N N 15 132.166 0.1 . 1 . . . . . . . . 6074 1 582 . 1 1 128 128 VAL H H 1 9.263 0.02 . 1 . . . . . . . . 6074 1 583 . 1 1 128 128 VAL CA C 13 61.361 0.4 . 1 . . . . . . . . 6074 1 584 . 1 1 128 128 VAL C C 13 175.826 0.4 . 1 . . . . . . . . 6074 1 585 . 1 1 128 128 VAL CB C 13 32.434 0.4 . 1 . . . . . . . . 6074 1 586 . 1 1 129 129 GLY N N 15 120.545 0.1 . 1 . . . . . . . . 6074 1 587 . 1 1 129 129 GLY H H 1 9.402 0.02 . 1 . . . . . . . . 6074 1 588 . 1 1 129 129 GLY CA C 13 48.326 0.4 . 1 . . . . . . . . 6074 1 589 . 1 1 129 129 GLY C C 13 174.323 0.4 . 1 . . . . . . . . 6074 1 590 . 1 1 130 130 ASP N N 15 126.969 0.1 . 1 . . . . . . . . 6074 1 591 . 1 1 130 130 ASP H H 1 8.386 0.02 . 1 . . . . . . . . 6074 1 592 . 1 1 130 130 ASP CA C 13 54.867 0.4 . 1 . . . . . . . . 6074 1 593 . 1 1 130 130 ASP C C 13 172.883 0.4 . 1 . . . . . . . . 6074 1 594 . 1 1 130 130 ASP CB C 13 42.176 0.4 . 1 . . . . . . . . 6074 1 595 . 1 1 131 131 HIS N N 15 119.123 0.1 . 1 . . . . . . . . 6074 1 596 . 1 1 131 131 HIS H H 1 7.87 0.02 . 1 . . . . . . . . 6074 1 597 . 1 1 131 131 HIS CA C 13 55.551 0.4 . 1 . . . . . . . . 6074 1 598 . 1 1 131 131 HIS C C 13 172.797 0.4 . 1 . . . . . . . . 6074 1 599 . 1 1 131 131 HIS CB C 13 34.619 0.4 . 1 . . . . . . . . 6074 1 600 . 1 1 132 132 PHE N N 15 124.901 0.1 . 1 . . . . . . . . 6074 1 601 . 1 1 132 132 PHE H H 1 7.818 0.02 . 1 . . . . . . . . 6074 1 602 . 1 1 132 132 PHE CA C 13 56.779 0.4 . 1 . . . . . . . . 6074 1 603 . 1 1 132 132 PHE C C 13 174.496 0.4 . 1 . . . . . . . . 6074 1 604 . 1 1 132 132 PHE CB C 13 40.157 0.4 . 1 . . . . . . . . 6074 1 605 . 1 1 133 133 TYR N N 15 122.82 0.1 . 1 . . . . . . . . 6074 1 606 . 1 1 133 133 TYR H H 1 8.832 0.02 . 1 . . . . . . . . 6074 1 607 . 1 1 133 133 TYR CA C 13 59.3 0.4 . 1 . . . . . . . . 6074 1 608 . 1 1 133 133 TYR C C 13 175.114 0.4 . 1 . . . . . . . . 6074 1 609 . 1 1 133 133 TYR CB C 13 40.121 0.4 . 1 . . . . . . . . 6074 1 610 . 1 1 134 134 ILE N N 15 123.186 0.1 . 1 . . . . . . . . 6074 1 611 . 1 1 134 134 ILE H H 1 9.27 0.02 . 1 . . . . . . . . 6074 1 612 . 1 1 134 134 ILE CA C 13 60.824 0.4 . 1 . . . . . . . . 6074 1 613 . 1 1 134 134 ILE C C 13 175.611 0.4 . 1 . . . . . . . . 6074 1 614 . 1 1 134 134 ILE CB C 13 40.754 0.4 . 1 . . . . . . . . 6074 1 615 . 1 1 135 135 GLY N N 15 116.64 0.1 . 1 . . . . . . . . 6074 1 616 . 1 1 135 135 GLY H H 1 10.327 0.02 . 1 . . . . . . . . 6074 1 617 . 1 1 135 135 GLY CA C 13 46.495 0.4 . 1 . . . . . . . . 6074 1 618 . 1 1 135 135 GLY C C 13 171.051 0.4 . 1 . . . . . . . . 6074 1 619 . 1 1 136 136 GLU N N 15 123.374 0.1 . 1 . . . . . . . . 6074 1 620 . 1 1 136 136 GLU H H 1 8.039 0.02 . 1 . . . . . . . . 6074 1 621 . 1 1 136 136 GLU CA C 13 56.57 0.4 . 1 . . . . . . . . 6074 1 622 . 1 1 136 136 GLU C C 13 176.16 0.4 . 1 . . . . . . . . 6074 1 623 . 1 1 136 136 GLU CB C 13 30.798 0.4 . 1 . . . . . . . . 6074 1 624 . 1 1 137 137 SER N N 15 126.225 0.1 . 1 . . . . . . . . 6074 1 625 . 1 1 137 137 SER H H 1 9.201 0.02 . 1 . . . . . . . . 6074 1 626 . 1 1 137 137 SER CA C 13 57.753 0.4 . 1 . . . . . . . . 6074 1 627 . 1 1 137 137 SER C C 13 174.358 0.4 . 1 . . . . . . . . 6074 1 628 . 1 1 137 137 SER CB C 13 69.59 0.4 . 1 . . . . . . . . 6074 1 629 . 1 1 138 138 ALA N N 15 120.016 0.1 . 1 . . . . . . . . 6074 1 630 . 1 1 138 138 ALA H H 1 8.861 0.02 . 1 . . . . . . . . 6074 1 631 . 1 1 138 138 ALA CA C 13 54.823 0.4 . 1 . . . . . . . . 6074 1 632 . 1 1 138 138 ALA C C 13 178.898 0.4 . 1 . . . . . . . . 6074 1 633 . 1 1 138 138 ALA CB C 13 19.338 0.4 . 1 . . . . . . . . 6074 1 634 . 1 1 139 139 ARG N N 15 116.49 0.1 . 1 . . . . . . . . 6074 1 635 . 1 1 139 139 ARG H H 1 8.684 0.02 . 1 . . . . . . . . 6074 1 636 . 1 1 139 139 ARG CA C 13 56.134 0.4 . 1 . . . . . . . . 6074 1 637 . 1 1 139 139 ARG C C 13 176.146 0.4 . 1 . . . . . . . . 6074 1 638 . 1 1 139 139 ARG CB C 13 31.98 0.4 . 1 . . . . . . . . 6074 1 639 . 1 1 140 140 THR N N 15 122.132 0.1 . 1 . . . . . . . . 6074 1 640 . 1 1 140 140 THR H H 1 7.771 0.02 . 1 . . . . . . . . 6074 1 641 . 1 1 140 140 THR CA C 13 62.642 0.4 . 1 . . . . . . . . 6074 1 642 . 1 1 140 140 THR C C 13 174.044 0.4 . 1 . . . . . . . . 6074 1 643 . 1 1 140 140 THR CB C 13 70.115 0.4 . 1 . . . . . . . . 6074 1 644 . 1 1 141 141 ASN N N 15 120.739 0.1 . 1 . . . . . . . . 6074 1 645 . 1 1 141 141 ASN H H 1 8.168 0.02 . 1 . . . . . . . . 6074 1 646 . 1 1 141 141 ASN CA C 13 50.985 0.4 . 1 . . . . . . . . 6074 1 647 . 1 1 141 141 ASN C C 13 175.597 0.4 . 1 . . . . . . . . 6074 1 648 . 1 1 141 141 ASN CB C 13 40.32 0.4 . 1 . . . . . . . . 6074 1 649 . 1 1 142 142 ALA N N 15 121.339 0.1 . 1 . . . . . . . . 6074 1 650 . 1 1 142 142 ALA H H 1 8.449 0.02 . 1 . . . . . . . . 6074 1 651 . 1 1 142 142 ALA CA C 13 56.352 0.4 . 1 . . . . . . . . 6074 1 652 . 1 1 142 142 ALA C C 13 181.157 0.4 . 1 . . . . . . . . 6074 1 653 . 1 1 142 142 ALA CB C 13 18.905 0.4 . 1 . . . . . . . . 6074 1 654 . 1 1 143 143 GLU N N 15 118.995 0.1 . 1 . . . . . . . . 6074 1 655 . 1 1 143 143 GLU H H 1 8.538 0.02 . 1 . . . . . . . . 6074 1 656 . 1 1 143 143 GLU CA C 13 58.628 0.4 . 1 . . . . . . . . 6074 1 657 . 1 1 143 143 GLU C C 13 178.32 0.4 . 1 . . . . . . . . 6074 1 658 . 1 1 143 143 GLU CB C 13 28.876 0.4 . 1 . . . . . . . . 6074 1 659 . 1 1 144 144 GLY N N 15 110.256 0.1 . 1 . . . . . . . . 6074 1 660 . 1 1 144 144 GLY H H 1 8.842 0.02 . 1 . . . . . . . . 6074 1 661 . 1 1 144 144 GLY CA C 13 47.984 0.4 . 1 . . . . . . . . 6074 1 662 . 1 1 144 144 GLY C C 13 175.505 0.4 . 1 . . . . . . . . 6074 1 663 . 1 1 145 145 ALA N N 15 123.187 0.1 . 1 . . . . . . . . 6074 1 664 . 1 1 145 145 ALA H H 1 8.64 0.02 . 1 . . . . . . . . 6074 1 665 . 1 1 145 145 ALA CA C 13 56.626 0.4 . 1 . . . . . . . . 6074 1 666 . 1 1 145 145 ALA C C 13 178.656 0.4 . 1 . . . . . . . . 6074 1 667 . 1 1 145 145 ALA CB C 13 18.472 0.4 . 1 . . . . . . . . 6074 1 668 . 1 1 146 146 ARG N N 15 117.46 0.1 . 1 . . . . . . . . 6074 1 669 . 1 1 146 146 ARG H H 1 8.221 0.02 . 1 . . . . . . . . 6074 1 670 . 1 1 146 146 ARG CA C 13 60.658 0.4 . 1 . . . . . . . . 6074 1 671 . 1 1 146 146 ARG C C 13 180.621 0.4 . 1 . . . . . . . . 6074 1 672 . 1 1 146 146 ARG CB C 13 30.237 0.4 . 1 . . . . . . . . 6074 1 673 . 1 1 147 147 GLN N N 15 118.789 0.1 . 1 . . . . . . . . 6074 1 674 . 1 1 147 147 GLN H H 1 8.232 0.02 . 1 . . . . . . . . 6074 1 675 . 1 1 147 147 GLN CA C 13 60.349 0.4 . 1 . . . . . . . . 6074 1 676 . 1 1 147 147 GLN C C 13 179.291 0.4 . 1 . . . . . . . . 6074 1 677 . 1 1 147 147 GLN CB C 13 30.974 0.4 . 1 . . . . . . . . 6074 1 678 . 1 1 148 148 MET N N 15 117.674 0.1 . 1 . . . . . . . . 6074 1 679 . 1 1 148 148 MET H H 1 8.272 0.02 . 1 . . . . . . . . 6074 1 680 . 1 1 148 148 MET CA C 13 57.876 0.4 . 1 . . . . . . . . 6074 1 681 . 1 1 148 148 MET C C 13 177.445 0.4 . 1 . . . . . . . . 6074 1 682 . 1 1 148 148 MET CB C 13 30.804 0.4 . 1 . . . . . . . . 6074 1 683 . 1 1 149 149 ILE N N 15 119.386 0.1 . 1 . . . . . . . . 6074 1 684 . 1 1 149 149 ILE H H 1 8.342 0.02 . 1 . . . . . . . . 6074 1 685 . 1 1 149 149 ILE CA C 13 67.365 0.4 . 1 . . . . . . . . 6074 1 686 . 1 1 149 149 ILE C C 13 176.951 0.4 . 1 . . . . . . . . 6074 1 687 . 1 1 149 149 ILE CB C 13 37.986 0.4 . 1 . . . . . . . . 6074 1 688 . 1 1 150 150 ALA N N 15 120.155 0.1 . 1 . . . . . . . . 6074 1 689 . 1 1 150 150 ALA H H 1 7.635 0.02 . 1 . . . . . . . . 6074 1 690 . 1 1 150 150 ALA CA C 13 56.087 0.4 . 1 . . . . . . . . 6074 1 691 . 1 1 150 150 ALA C C 13 181.517 0.4 . 1 . . . . . . . . 6074 1 692 . 1 1 150 150 ALA CB C 13 18.233 0.4 . 1 . . . . . . . . 6074 1 693 . 1 1 151 151 ILE N N 15 120.026 0.1 . 1 . . . . . . . . 6074 1 694 . 1 1 151 151 ILE H H 1 7.881 0.02 . 1 . . . . . . . . 6074 1 695 . 1 1 151 151 ILE CA C 13 66.592 0.4 . 1 . . . . . . . . 6074 1 696 . 1 1 151 151 ILE C C 13 178.079 0.4 . 1 . . . . . . . . 6074 1 697 . 1 1 151 151 ILE CB C 13 38.774 0.4 . 1 . . . . . . . . 6074 1 698 . 1 1 152 152 LEU N N 15 119.596 0.1 . 1 . . . . . . . . 6074 1 699 . 1 1 152 152 LEU H H 1 8.332 0.02 . 1 . . . . . . . . 6074 1 700 . 1 1 152 152 LEU CA C 13 59.49 0.4 . 1 . . . . . . . . 6074 1 701 . 1 1 152 152 LEU C C 13 180.213 0.4 . 1 . . . . . . . . 6074 1 702 . 1 1 152 152 LEU CB C 13 40.325 0.4 . 1 . . . . . . . . 6074 1 703 . 1 1 153 153 GLU N N 15 118.156 0.1 . 1 . . . . . . . . 6074 1 704 . 1 1 153 153 GLU H H 1 8.6 0.02 . 1 . . . . . . . . 6074 1 705 . 1 1 153 153 GLU CA C 13 60.184 0.4 . 1 . . . . . . . . 6074 1 706 . 1 1 153 153 GLU C C 13 181.573 0.4 . 1 . . . . . . . . 6074 1 707 . 1 1 153 153 GLU CB C 13 29.854 0.4 . 1 . . . . . . . . 6074 1 708 . 1 1 154 154 LYS N N 15 122.517 0.1 . 1 . . . . . . . . 6074 1 709 . 1 1 154 154 LYS H H 1 7.721 0.02 . 1 . . . . . . . . 6074 1 710 . 1 1 154 154 LYS CA C 13 59.641 0.4 . 1 . . . . . . . . 6074 1 711 . 1 1 154 154 LYS C C 13 177.945 0.4 . 1 . . . . . . . . 6074 1 712 . 1 1 154 154 LYS CB C 13 32.3 0.4 . 1 . . . . . . . . 6074 1 713 . 1 1 155 155 HIS N N 15 115.699 0.1 . 1 . . . . . . . . 6074 1 714 . 1 1 155 155 HIS H H 1 7.328 0.02 . 1 . . . . . . . . 6074 1 715 . 1 1 155 155 HIS CA C 13 57.769 0.4 . 1 . . . . . . . . 6074 1 716 . 1 1 155 155 HIS C C 13 174.981 0.4 . 1 . . . . . . . . 6074 1 717 . 1 1 155 155 HIS CB C 13 31.927 0.4 . 1 . . . . . . . . 6074 1 718 . 1 1 156 156 GLY N N 15 107.637 0.1 . 1 . . . . . . . . 6074 1 719 . 1 1 156 156 GLY H H 1 7.894 0.02 . 1 . . . . . . . . 6074 1 720 . 1 1 156 156 GLY CA C 13 47.119 0.4 . 1 . . . . . . . . 6074 1 721 . 1 1 156 156 GLY C C 13 173.896 0.4 . 1 . . . . . . . . 6074 1 722 . 1 1 157 157 LEU N N 15 121.869 0.1 . 1 . . . . . . . . 6074 1 723 . 1 1 157 157 LEU H H 1 8.145 0.02 . 1 . . . . . . . . 6074 1 724 . 1 1 157 157 LEU CA C 13 54.043 0.4 . 1 . . . . . . . . 6074 1 725 . 1 1 157 157 LEU C C 13 174.655 0.4 . 1 . . . . . . . . 6074 1 726 . 1 1 157 157 LEU CB C 13 42.471 0.4 . 1 . . . . . . . . 6074 1 727 . 1 1 158 158 SER N N 15 111.879 0.1 . 1 . . . . . . . . 6074 1 728 . 1 1 158 158 SER H H 1 8.466 0.02 . 1 . . . . . . . . 6074 1 729 . 1 1 158 158 SER CA C 13 58.461 0.4 . 1 . . . . . . . . 6074 1 730 . 1 1 158 158 SER C C 13 173.841 0.4 . 1 . . . . . . . . 6074 1 731 . 1 1 158 158 SER CB C 13 67.118 0.4 . 1 . . . . . . . . 6074 1 732 . 1 1 159 159 GLY N N 15 104.489 0.1 . 1 . . . . . . . . 6074 1 733 . 1 1 159 159 GLY H H 1 8.538 0.02 . 1 . . . . . . . . 6074 1 734 . 1 1 159 159 GLY CA C 13 46.657 0.4 . 1 . . . . . . . . 6074 1 735 . 1 1 159 159 GLY C C 13 171.561 0.4 . 1 . . . . . . . . 6074 1 736 . 1 1 160 160 SER N N 15 113.229 0.1 . 1 . . . . . . . . 6074 1 737 . 1 1 160 160 SER H H 1 8.35 0.02 . 1 . . . . . . . . 6074 1 738 . 1 1 160 160 SER CA C 13 58.574 0.4 . 1 . . . . . . . . 6074 1 739 . 1 1 160 160 SER C C 13 171.688 0.4 . 1 . . . . . . . . 6074 1 740 . 1 1 160 160 SER CB C 13 65.889 0.4 . 1 . . . . . . . . 6074 1 741 . 1 1 161 161 VAL N N 15 119.738 0.1 . 1 . . . . . . . . 6074 1 742 . 1 1 161 161 VAL H H 1 8.512 0.02 . 1 . . . . . . . . 6074 1 743 . 1 1 161 161 VAL CA C 13 62.389 0.4 . 1 . . . . . . . . 6074 1 744 . 1 1 161 161 VAL C C 13 177.185 0.4 . 1 . . . . . . . . 6074 1 745 . 1 1 161 161 VAL CB C 13 34.367 0.4 . 1 . . . . . . . . 6074 1 746 . 1 1 162 162 VAL N N 15 128.833 0.1 . 1 . . . . . . . . 6074 1 747 . 1 1 162 162 VAL H H 1 9.204 0.02 . 1 . . . . . . . . 6074 1 748 . 1 1 162 162 VAL CA C 13 61.352 0.4 . 1 . . . . . . . . 6074 1 749 . 1 1 162 162 VAL C C 13 174.411 0.4 . 1 . . . . . . . . 6074 1 750 . 1 1 162 162 VAL CB C 13 35.465 0.4 . 1 . . . . . . . . 6074 1 751 . 1 1 163 163 ARG N N 15 126.904 0.1 . 1 . . . . . . . . 6074 1 752 . 1 1 163 163 ARG H H 1 8.797 0.02 . 1 . . . . . . . . 6074 1 753 . 1 1 163 163 ARG CA C 13 57.815 0.4 . 1 . . . . . . . . 6074 1 754 . 1 1 163 163 ARG C C 13 176.111 0.4 . 1 . . . . . . . . 6074 1 755 . 1 1 163 163 ARG CB C 13 30.837 0.4 . 1 . . . . . . . . 6074 1 756 . 1 1 164 164 LEU N N 15 121.597 0.1 . 1 . . . . . . . . 6074 1 757 . 1 1 164 164 LEU H H 1 8.144 0.02 . 1 . . . . . . . . 6074 1 758 . 1 1 164 164 LEU CA C 13 55.319 0.4 . 1 . . . . . . . . 6074 1 759 . 1 1 164 164 LEU C C 13 176.72 0.4 . 1 . . . . . . . . 6074 1 760 . 1 1 164 164 LEU CB C 13 44.4 0.4 . 1 . . . . . . . . 6074 1 761 . 1 1 165 165 GLU N N 15 120.927 0.1 . 1 . . . . . . . . 6074 1 762 . 1 1 165 165 GLU H H 1 10.702 0.02 . 1 . . . . . . . . 6074 1 763 . 1 1 165 165 GLU CA C 13 58.43 0.4 . 1 . . . . . . . . 6074 1 764 . 1 1 165 165 GLU C C 13 178.117 0.4 . 1 . . . . . . . . 6074 1 765 . 1 1 165 165 GLU CB C 13 33.589 0.4 . 1 . . . . . . . . 6074 1 766 . 1 1 166 166 LYS N N 15 118.75 0.1 . 1 . . . . . . . . 6074 1 767 . 1 1 166 166 LYS H H 1 9.626 0.02 . 1 . . . . . . . . 6074 1 768 . 1 1 166 166 LYS CA C 13 57.967 0.4 . 1 . . . . . . . . 6074 1 769 . 1 1 166 166 LYS C C 13 176.994 0.4 . 1 . . . . . . . . 6074 1 770 . 1 1 166 166 LYS CB C 13 34.687 0.4 . 1 . . . . . . . . 6074 1 771 . 1 1 167 167 VAL N N 15 111.021 0.1 . 1 . . . . . . . . 6074 1 772 . 1 1 167 167 VAL H H 1 7.078 0.02 . 1 . . . . . . . . 6074 1 773 . 1 1 167 167 VAL CA C 13 60.698 0.4 . 1 . . . . . . . . 6074 1 774 . 1 1 167 167 VAL C C 13 175.517 0.4 . 1 . . . . . . . . 6074 1 775 . 1 1 167 167 VAL CB C 13 35.655 0.4 . 1 . . . . . . . . 6074 1 776 . 1 1 168 168 LEU N N 15 120.287 0.1 . 1 . . . . . . . . 6074 1 777 . 1 1 168 168 LEU H H 1 8.13 0.02 . 1 . . . . . . . . 6074 1 778 . 1 1 168 168 LEU CA C 13 58.562 0.4 . 1 . . . . . . . . 6074 1 779 . 1 1 168 168 LEU C C 13 175.855 0.4 . 1 . . . . . . . . 6074 1 780 . 1 1 168 168 LEU CB C 13 42.947 0.4 . 1 . . . . . . . . 6074 1 781 . 1 1 169 169 HIS N N 15 108.225 0.1 . 1 . . . . . . . . 6074 1 782 . 1 1 169 169 HIS H H 1 7.138 0.02 . 1 . . . . . . . . 6074 1 783 . 1 1 169 169 HIS CA C 13 52.968 0.4 . 1 . . . . . . . . 6074 1 784 . 1 1 169 169 HIS C C 13 177.208 0.4 . 1 . . . . . . . . 6074 1 785 . 1 1 169 169 HIS CB C 13 33.963 0.4 . 1 . . . . . . . . 6074 1 786 . 1 1 170 170 LEU N N 15 123.982 0.1 . 1 . . . . . . . . 6074 1 787 . 1 1 170 170 LEU H H 1 10.111 0.02 . 1 . . . . . . . . 6074 1 788 . 1 1 170 170 LEU CA C 13 60.399 0.4 . 1 . . . . . . . . 6074 1 789 . 1 1 170 170 LEU C C 13 177.608 0.4 . 1 . . . . . . . . 6074 1 790 . 1 1 170 170 LEU CB C 13 44.615 0.4 . 1 . . . . . . . . 6074 1 791 . 1 1 171 171 LYS N N 15 107.021 0.1 . 1 . . . . . . . . 6074 1 792 . 1 1 171 171 LYS H H 1 7.182 0.02 . 1 . . . . . . . . 6074 1 793 . 1 1 171 171 LYS CA C 13 59.636 0.4 . 1 . . . . . . . . 6074 1 794 . 1 1 171 171 LYS C C 13 176.978 0.4 . 1 . . . . . . . . 6074 1 795 . 1 1 171 171 LYS CB C 13 29.969 0.4 . 1 . . . . . . . . 6074 1 796 . 1 1 172 172 THR N N 15 115.616 0.1 . 1 . . . . . . . . 6074 1 797 . 1 1 172 172 THR H H 1 7.985 0.02 . 1 . . . . . . . . 6074 1 798 . 1 1 172 172 THR CA C 13 67.517 0.4 . 1 . . . . . . . . 6074 1 799 . 1 1 172 172 THR C C 13 176.646 0.4 . 1 . . . . . . . . 6074 1 800 . 1 1 172 172 THR CB C 13 67.493 0.4 . 1 . . . . . . . . 6074 1 801 . 1 1 173 173 GLY N N 15 104.861 0.1 . 1 . . . . . . . . 6074 1 802 . 1 1 173 173 GLY H H 1 7.375 0.02 . 1 . . . . . . . . 6074 1 803 . 1 1 173 173 GLY CA C 13 46.411 0.4 . 1 . . . . . . . . 6074 1 804 . 1 1 173 173 GLY C C 13 169.614 0.4 . 1 . . . . . . . . 6074 1 805 . 1 1 174 174 LEU N N 15 120.717 0.1 . 1 . . . . . . . . 6074 1 806 . 1 1 174 174 LEU H H 1 6.441 0.02 . 1 . . . . . . . . 6074 1 807 . 1 1 174 174 LEU CA C 13 54.516 0.4 . 1 . . . . . . . . 6074 1 808 . 1 1 174 174 LEU C C 13 175.515 0.4 . 1 . . . . . . . . 6074 1 809 . 1 1 174 174 LEU CB C 13 49.754 0.4 . 1 . . . . . . . . 6074 1 810 . 1 1 175 175 ALA N N 15 118.858 0.1 . 1 . . . . . . . . 6074 1 811 . 1 1 175 175 ALA H H 1 7.972 0.02 . 1 . . . . . . . . 6074 1 812 . 1 1 175 175 ALA CA C 13 53.606 0.4 . 1 . . . . . . . . 6074 1 813 . 1 1 175 175 ALA C C 13 175.285 0.4 . 1 . . . . . . . . 6074 1 814 . 1 1 175 175 ALA CB C 13 24.324 0.4 . 1 . . . . . . . . 6074 1 815 . 1 1 176 176 TYR N N 15 123.366 0.1 . 1 . . . . . . . . 6074 1 816 . 1 1 176 176 TYR H H 1 10.004 0.02 . 1 . . . . . . . . 6074 1 817 . 1 1 176 176 TYR CA C 13 58.409 0.4 . 1 . . . . . . . . 6074 1 818 . 1 1 176 176 TYR C C 13 177.11 0.4 . 1 . . . . . . . . 6074 1 819 . 1 1 176 176 TYR CB C 13 38.337 0.4 . 1 . . . . . . . . 6074 1 820 . 1 1 177 177 LEU N N 15 129.525 0.1 . 1 . . . . . . . . 6074 1 821 . 1 1 177 177 LEU H H 1 8.571 0.02 . 1 . . . . . . . . 6074 1 822 . 1 1 177 177 LEU CA C 13 53.67 0.4 . 1 . . . . . . . . 6074 1 823 . 1 1 177 177 LEU CB C 13 41.004 0.4 . 1 . . . . . . . . 6074 1 824 . 1 1 178 178 GLU N N 15 104.543 0.1 . 1 . . . . . . . . 6074 1 825 . 1 1 178 178 GLU H H 1 4.308 0.02 . 1 . . . . . . . . 6074 1 826 . 1 1 178 178 GLU CA C 13 58.867 0.4 . 1 . . . . . . . . 6074 1 827 . 1 1 178 178 GLU C C 13 173.985 0.4 . 1 . . . . . . . . 6074 1 828 . 1 1 178 178 GLU CB C 13 28.142 0.4 . 1 . . . . . . . . 6074 1 829 . 1 1 179 179 HIS N N 15 111.641 0.1 . 1 . . . . . . . . 6074 1 830 . 1 1 179 179 HIS H H 1 8.584 0.02 . 1 . . . . . . . . 6074 1 831 . 1 1 179 179 HIS CA C 13 56.696 0.4 . 1 . . . . . . . . 6074 1 832 . 1 1 179 179 HIS C C 13 174.55 0.4 . 1 . . . . . . . . 6074 1 833 . 1 1 179 179 HIS CB C 13 26.816 0.4 . 1 . . . . . . . . 6074 1 834 . 1 1 180 180 ASN N N 15 108.872 0.1 . 1 . . . . . . . . 6074 1 835 . 1 1 180 180 ASN H H 1 8.113 0.02 . 1 . . . . . . . . 6074 1 836 . 1 1 180 180 ASN CA C 13 55.967 0.4 . 1 . . . . . . . . 6074 1 837 . 1 1 180 180 ASN C C 13 173.811 0.4 . 1 . . . . . . . . 6074 1 838 . 1 1 180 180 ASN CB C 13 41.435 0.4 . 1 . . . . . . . . 6074 1 839 . 1 1 181 181 ASN N N 15 119.317 0.1 . 1 . . . . . . . . 6074 1 840 . 1 1 181 181 ASN H H 1 7.683 0.02 . 1 . . . . . . . . 6074 1 841 . 1 1 181 181 ASN CA C 13 54.586 0.4 . 1 . . . . . . . . 6074 1 842 . 1 1 181 181 ASN C C 13 172.019 0.4 . 1 . . . . . . . . 6074 1 843 . 1 1 181 181 ASN CB C 13 40.52 0.4 . 1 . . . . . . . . 6074 1 844 . 1 1 182 182 LEU N N 15 128.212 0.1 . 1 . . . . . . . . 6074 1 845 . 1 1 182 182 LEU H H 1 8.76 0.02 . 1 . . . . . . . . 6074 1 846 . 1 1 182 182 LEU CA C 13 53.799 0.4 . 1 . . . . . . . . 6074 1 847 . 1 1 182 182 LEU C C 13 175.064 0.4 . 1 . . . . . . . . 6074 1 848 . 1 1 182 182 LEU CB C 13 48.128 0.4 . 1 . . . . . . . . 6074 1 849 . 1 1 183 183 LEU N N 15 126.527 0.1 . 1 . . . . . . . . 6074 1 850 . 1 1 183 183 LEU H H 1 9.325 0.02 . 1 . . . . . . . . 6074 1 851 . 1 1 183 183 LEU CA C 13 55.298 0.4 . 1 . . . . . . . . 6074 1 852 . 1 1 183 183 LEU C C 13 176.643 0.4 . 1 . . . . . . . . 6074 1 853 . 1 1 183 183 LEU CB C 13 42.106 0.4 . 1 . . . . . . . . 6074 1 854 . 1 1 184 184 ALA N N 15 120.811 0.1 . 1 . . . . . . . . 6074 1 855 . 1 1 184 184 ALA H H 1 8.058 0.02 . 1 . . . . . . . . 6074 1 856 . 1 1 184 184 ALA CA C 13 51.936 0.4 . 1 . . . . . . . . 6074 1 857 . 1 1 184 184 ALA C C 13 174.355 0.4 . 1 . . . . . . . . 6074 1 858 . 1 1 184 184 ALA CB C 13 23.938 0.4 . 1 . . . . . . . . 6074 1 859 . 1 1 185 185 ALA N N 15 121.893 0.1 . 1 . . . . . . . . 6074 1 860 . 1 1 185 185 ALA H H 1 8.582 0.02 . 1 . . . . . . . . 6074 1 861 . 1 1 185 185 ALA CA C 13 50.229 0.4 . 1 . . . . . . . . 6074 1 862 . 1 1 185 185 ALA C C 13 179.775 0.4 . 1 . . . . . . . . 6074 1 863 . 1 1 185 185 ALA CB C 13 24.131 0.4 . 1 . . . . . . . . 6074 1 864 . 1 1 186 186 GLY N N 15 108.399 0.1 . 1 . . . . . . . . 6074 1 865 . 1 1 186 186 GLY H H 1 8.851 0.02 . 1 . . . . . . . . 6074 1 866 . 1 1 186 186 GLY CA C 13 48.484 0.4 . 1 . . . . . . . . 6074 1 867 . 1 1 186 186 GLY C C 13 177.131 0.4 . 1 . . . . . . . . 6074 1 868 . 1 1 187 187 GLU N N 15 124.793 0.1 . 1 . . . . . . . . 6074 1 869 . 1 1 187 187 GLU H H 1 9.118 0.02 . 1 . . . . . . . . 6074 1 870 . 1 1 187 187 GLU CA C 13 58.213 0.4 . 1 . . . . . . . . 6074 1 871 . 1 1 187 187 GLU C C 13 176.08 0.4 . 1 . . . . . . . . 6074 1 872 . 1 1 187 187 GLU CB C 13 30.354 0.4 . 1 . . . . . . . . 6074 1 873 . 1 1 188 188 PHE N N 15 116.785 0.1 . 1 . . . . . . . . 6074 1 874 . 1 1 188 188 PHE H H 1 7.363 0.02 . 1 . . . . . . . . 6074 1 875 . 1 1 188 188 PHE CA C 13 61.093 0.4 . 1 . . . . . . . . 6074 1 876 . 1 1 188 188 PHE C C 13 176.251 0.4 . 1 . . . . . . . . 6074 1 877 . 1 1 188 188 PHE CB C 13 41.016 0.4 . 1 . . . . . . . . 6074 1 878 . 1 1 189 189 VAL N N 15 114.306 0.1 . 1 . . . . . . . . 6074 1 879 . 1 1 189 189 VAL H H 1 6.908 0.02 . 1 . . . . . . . . 6074 1 880 . 1 1 189 189 VAL CA C 13 67.075 0.4 . 1 . . . . . . . . 6074 1 881 . 1 1 189 189 VAL C C 13 176.502 0.4 . 1 . . . . . . . . 6074 1 882 . 1 1 189 189 VAL CB C 13 32.474 0.4 . 1 . . . . . . . . 6074 1 883 . 1 1 190 190 SER N N 15 109.183 0.1 . 1 . . . . . . . . 6074 1 884 . 1 1 190 190 SER H H 1 7.707 0.02 . 1 . . . . . . . . 6074 1 885 . 1 1 190 190 SER CA C 13 58.117 0.4 . 1 . . . . . . . . 6074 1 886 . 1 1 190 190 SER C C 13 175.555 0.4 . 1 . . . . . . . . 6074 1 887 . 1 1 190 190 SER CB C 13 64.669 0.4 . 1 . . . . . . . . 6074 1 888 . 1 1 191 191 LYS N N 15 123.622 0.1 . 1 . . . . . . . . 6074 1 889 . 1 1 191 191 LYS H H 1 7.246 0.02 . 1 . . . . . . . . 6074 1 890 . 1 1 191 191 LYS CA C 13 56.01 0.4 . 1 . . . . . . . . 6074 1 891 . 1 1 191 191 LYS CB C 13 32.169 0.4 . 1 . . . . . . . . 6074 1 892 . 1 1 192 192 PRO CA C 13 66.296 0.4 . 1 . . . . . . . . 6074 1 893 . 1 1 192 192 PRO C C 13 178.951 0.4 . 1 . . . . . . . . 6074 1 894 . 1 1 192 192 PRO CB C 13 32.465 0.4 . 1 . . . . . . . . 6074 1 895 . 1 1 193 193 GLU N N 15 117.702 0.1 . 1 . . . . . . . . 6074 1 896 . 1 1 193 193 GLU H H 1 10.419 0.02 . 1 . . . . . . . . 6074 1 897 . 1 1 193 193 GLU CA C 13 60.406 0.4 . 1 . . . . . . . . 6074 1 898 . 1 1 193 193 GLU C C 13 177.582 0.4 . 1 . . . . . . . . 6074 1 899 . 1 1 193 193 GLU CB C 13 28.658 0.4 . 1 . . . . . . . . 6074 1 900 . 1 1 194 194 PHE N N 15 115.469 0.1 . 1 . . . . . . . . 6074 1 901 . 1 1 194 194 PHE H H 1 7.302 0.02 . 1 . . . . . . . . 6074 1 902 . 1 1 194 194 PHE CA C 13 56.878 0.4 . 1 . . . . . . . . 6074 1 903 . 1 1 194 194 PHE C C 13 176.007 0.4 . 1 . . . . . . . . 6074 1 904 . 1 1 194 194 PHE CB C 13 39.48 0.4 . 1 . . . . . . . . 6074 1 905 . 1 1 195 195 GLN N N 15 114.997 0.1 . 1 . . . . . . . . 6074 1 906 . 1 1 195 195 GLN H H 1 7.205 0.02 . 1 . . . . . . . . 6074 1 907 . 1 1 195 195 GLN CA C 13 59.063 0.4 . 1 . . . . . . . . 6074 1 908 . 1 1 195 195 GLN C C 13 176.411 0.4 . 1 . . . . . . . . 6074 1 909 . 1 1 195 195 GLN CB C 13 29.236 0.4 . 1 . . . . . . . . 6074 1 910 . 1 1 196 196 ASP N N 15 117.034 0.1 . 1 . . . . . . . . 6074 1 911 . 1 1 196 196 ASP H H 1 8.63 0.02 . 1 . . . . . . . . 6074 1 912 . 1 1 196 196 ASP CA C 13 55.833 0.4 . 1 . . . . . . . . 6074 1 913 . 1 1 196 196 ASP C C 13 177.533 0.4 . 1 . . . . . . . . 6074 1 914 . 1 1 196 196 ASP CB C 13 41.273 0.4 . 1 . . . . . . . . 6074 1 915 . 1 1 197 197 PHE N N 15 118.611 0.1 . 1 . . . . . . . . 6074 1 916 . 1 1 197 197 PHE H H 1 7.602 0.02 . 1 . . . . . . . . 6074 1 917 . 1 1 197 197 PHE CA C 13 59.592 0.4 . 1 . . . . . . . . 6074 1 918 . 1 1 197 197 PHE C C 13 175.363 0.4 . 1 . . . . . . . . 6074 1 919 . 1 1 197 197 PHE CB C 13 40.588 0.4 . 1 . . . . . . . . 6074 1 920 . 1 1 198 198 ASN N N 15 118.968 0.1 . 1 . . . . . . . . 6074 1 921 . 1 1 198 198 ASN H H 1 8.871 0.02 . 1 . . . . . . . . 6074 1 922 . 1 1 198 198 ASN CA C 13 54.094 0.4 . 1 . . . . . . . . 6074 1 923 . 1 1 198 198 ASN C C 13 173.666 0.4 . 1 . . . . . . . . 6074 1 924 . 1 1 198 198 ASN CB C 13 38.123 0.4 . 1 . . . . . . . . 6074 1 925 . 1 1 199 199 ILE N N 15 126.436 0.1 . 1 . . . . . . . . 6074 1 926 . 1 1 199 199 ILE H H 1 8.135 0.02 . 1 . . . . . . . . 6074 1 927 . 1 1 199 199 ILE CA C 13 62.816 0.4 . 1 . . . . . . . . 6074 1 928 . 1 1 199 199 ILE C C 13 176.546 0.4 . 1 . . . . . . . . 6074 1 929 . 1 1 199 199 ILE CB C 13 38.614 0.4 . 1 . . . . . . . . 6074 1 930 . 1 1 200 200 ILE N N 15 133.954 0.1 . 1 . . . . . . . . 6074 1 931 . 1 1 200 200 ILE H H 1 9.491 0.02 . 1 . . . . . . . . 6074 1 932 . 1 1 200 200 ILE CA C 13 60.697 0.4 . 1 . . . . . . . . 6074 1 933 . 1 1 200 200 ILE C C 13 174.152 0.4 . 1 . . . . . . . . 6074 1 934 . 1 1 200 200 ILE CB C 13 37.507 0.4 . 1 . . . . . . . . 6074 1 935 . 1 1 201 201 GLU N N 15 126.081 0.1 . 1 . . . . . . . . 6074 1 936 . 1 1 201 201 GLU H H 1 8.302 0.02 . 1 . . . . . . . . 6074 1 937 . 1 1 201 201 GLU CA C 13 57.042 0.4 . 1 . . . . . . . . 6074 1 938 . 1 1 201 201 GLU C C 13 176.324 0.4 . 1 . . . . . . . . 6074 1 939 . 1 1 201 201 GLU CB C 13 30.306 0.4 . 1 . . . . . . . . 6074 1 940 . 1 1 202 202 ILE N N 15 130.072 0.1 . 1 . . . . . . . . 6074 1 941 . 1 1 202 202 ILE H H 1 8.516 0.02 . 1 . . . . . . . . 6074 1 942 . 1 1 202 202 ILE CA C 13 56.346 0.4 . 1 . . . . . . . . 6074 1 943 . 1 1 202 202 ILE CB C 13 37.602 0.4 . 1 . . . . . . . . 6074 1 944 . 1 1 203 203 PRO CA C 13 63.404 0.4 . 1 . . . . . . . . 6074 1 945 . 1 1 203 203 PRO C C 13 178.103 0.4 . 1 . . . . . . . . 6074 1 946 . 1 1 203 203 PRO CB C 13 32.759 0.4 . 1 . . . . . . . . 6074 1 947 . 1 1 204 204 GLU N N 15 123.102 0.1 . 1 . . . . . . . . 6074 1 948 . 1 1 204 204 GLU H H 1 8.873 0.02 . 1 . . . . . . . . 6074 1 949 . 1 1 204 204 GLU CA C 13 61.199 0.4 . 1 . . . . . . . . 6074 1 950 . 1 1 204 204 GLU C C 13 179.779 0.4 . 1 . . . . . . . . 6074 1 951 . 1 1 204 204 GLU CB C 13 30.289 0.4 . 1 . . . . . . . . 6074 1 952 . 1 1 205 205 GLU N N 15 117.54 0.1 . 1 . . . . . . . . 6074 1 953 . 1 1 205 205 GLU H H 1 9.749 0.02 . 1 . . . . . . . . 6074 1 954 . 1 1 205 205 GLU CA C 13 59.738 0.4 . 1 . . . . . . . . 6074 1 955 . 1 1 205 205 GLU C C 13 177.519 0.4 . 1 . . . . . . . . 6074 1 956 . 1 1 205 205 GLU CB C 13 29.144 0.4 . 1 . . . . . . . . 6074 1 957 . 1 1 206 206 GLU N N 15 118.461 0.1 . 1 . . . . . . . . 6074 1 958 . 1 1 206 206 GLU H H 1 8.062 0.02 . 1 . . . . . . . . 6074 1 959 . 1 1 206 206 GLU CA C 13 55.975 0.4 . 1 . . . . . . . . 6074 1 960 . 1 1 206 206 GLU C C 13 175.388 0.4 . 1 . . . . . . . . 6074 1 961 . 1 1 206 206 GLU CB C 13 30.878 0.4 . 1 . . . . . . . . 6074 1 962 . 1 1 207 207 SER N N 15 113.479 0.1 . 1 . . . . . . . . 6074 1 963 . 1 1 207 207 SER H H 1 7.27 0.02 . 1 . . . . . . . . 6074 1 964 . 1 1 207 207 SER CA C 13 64.19 0.4 . 1 . . . . . . . . 6074 1 965 . 1 1 207 207 SER C C 13 176.012 0.4 . 1 . . . . . . . . 6074 1 966 . 1 1 207 207 SER CB C 13 64.182 0.4 . 1 . . . . . . . . 6074 1 967 . 1 1 208 208 TYR N N 15 123.322 0.1 . 1 . . . . . . . . 6074 1 968 . 1 1 208 208 TYR H H 1 8.539 0.02 . 1 . . . . . . . . 6074 1 969 . 1 1 208 208 TYR CA C 13 60.997 0.4 . 1 . . . . . . . . 6074 1 970 . 1 1 208 208 TYR C C 13 177.543 0.4 . 1 . . . . . . . . 6074 1 971 . 1 1 208 208 TYR CB C 13 39.316 0.4 . 1 . . . . . . . . 6074 1 972 . 1 1 209 209 ALA N N 15 117.776 0.1 . 1 . . . . . . . . 6074 1 973 . 1 1 209 209 ALA H H 1 7.817 0.02 . 1 . . . . . . . . 6074 1 974 . 1 1 209 209 ALA CA C 13 53.298 0.4 . 1 . . . . . . . . 6074 1 975 . 1 1 209 209 ALA C C 13 172.984 0.4 . 1 . . . . . . . . 6074 1 976 . 1 1 209 209 ALA CB C 13 17.817 0.4 . 1 . . . . . . . . 6074 1 977 . 1 1 210 210 ALA N N 15 115.393 0.1 . 1 . . . . . . . . 6074 1 978 . 1 1 210 210 ALA H H 1 7.022 0.02 . 1 . . . . . . . . 6074 1 979 . 1 1 210 210 ALA CA C 13 54.384 0.4 . 1 . . . . . . . . 6074 1 980 . 1 1 210 210 ALA C C 13 173.984 0.4 . 1 . . . . . . . . 6074 1 981 . 1 1 210 210 ALA CB C 13 19.183 0.4 . 1 . . . . . . . . 6074 1 982 . 1 1 211 211 ASN N N 15 109 0.1 . 1 . . . . . . . . 6074 1 983 . 1 1 211 211 ASN H H 1 6.524 0.02 . 1 . . . . . . . . 6074 1 984 . 1 1 211 211 ASN CA C 13 53.801 0.4 . 1 . . . . . . . . 6074 1 985 . 1 1 211 211 ASN C C 13 174.056 0.4 . 1 . . . . . . . . 6074 1 986 . 1 1 211 211 ASN CB C 13 39.652 0.4 . 1 . . . . . . . . 6074 1 987 . 1 1 212 212 CYS N N 15 118.299 0.1 . 1 . . . . . . . . 6074 1 988 . 1 1 212 212 CYS H H 1 6.754 0.02 . 1 . . . . . . . . 6074 1 989 . 1 1 212 212 CYS CA C 13 58.638 0.4 . 1 . . . . . . . . 6074 1 990 . 1 1 212 212 CYS C C 13 173.086 0.4 . 1 . . . . . . . . 6074 1 991 . 1 1 212 212 CYS CB C 13 33.885 0.4 . 1 . . . . . . . . 6074 1 992 . 1 1 213 213 ILE N N 15 107.369 0.1 . 1 . . . . . . . . 6074 1 993 . 1 1 213 213 ILE H H 1 8.228 0.02 . 1 . . . . . . . . 6074 1 994 . 1 1 213 213 ILE CA C 13 59.054 0.4 . 1 . . . . . . . . 6074 1 995 . 1 1 213 213 ILE C C 13 174.235 0.4 . 1 . . . . . . . . 6074 1 996 . 1 1 213 213 ILE CB C 13 41.467 0.4 . 1 . . . . . . . . 6074 1 997 . 1 1 214 214 TRP N N 15 124.278 0.1 . 1 . . . . . . . . 6074 1 998 . 1 1 214 214 TRP H H 1 8.687 0.02 . 1 . . . . . . . . 6074 1 999 . 1 1 214 214 TRP CA C 13 57.801 0.4 . 1 . . . . . . . . 6074 1 1000 . 1 1 214 214 TRP C C 13 177.258 0.4 . 1 . . . . . . . . 6074 1 1001 . 1 1 214 214 TRP CB C 13 32.227 0.4 . 1 . . . . . . . . 6074 1 1002 . 1 1 214 214 TRP NE1 N 15 128.24 0.1 . 1 . . . . . . . . 6074 1 1003 . 1 1 214 214 TRP HE1 H 1 10.561 0.02 . 1 . . . . . . . . 6074 1 1004 . 1 1 215 215 VAL N N 15 126.784 0.1 . 1 . . . . . . . . 6074 1 1005 . 1 1 215 215 VAL H H 1 9.005 0.02 . 1 . . . . . . . . 6074 1 1006 . 1 1 215 215 VAL CA C 13 62.917 0.4 . 1 . . . . . . . . 6074 1 1007 . 1 1 215 215 VAL CB C 13 34.36 0.4 . 1 . . . . . . . . 6074 1 1008 . 1 1 216 216 ASN N N 15 120.9 0.1 . 1 . . . . . . . . 6074 1 1009 . 1 1 216 216 ASN H H 1 5.105 0.02 . 1 . . . . . . . . 6074 1 1010 . 1 1 216 216 ASN CA C 13 55.836 0.4 . 1 . . . . . . . . 6074 1 1011 . 1 1 217 217 GLU N N 15 105.288 0.1 . 1 . . . . . . . . 6074 1 1012 . 1 1 217 217 GLU H H 1 5.037 0.02 . 1 . . . . . . . . 6074 1 1013 . 1 1 217 217 GLU CA C 13 60.202 0.4 . 1 . . . . . . . . 6074 1 1014 . 1 1 217 217 GLU C C 13 175.796 0.4 . 1 . . . . . . . . 6074 1 1015 . 1 1 217 217 GLU CB C 13 26.637 0.4 . 1 . . . . . . . . 6074 1 1016 . 1 1 218 218 ARG N N 15 120.173 0.1 . 1 . . . . . . . . 6074 1 1017 . 1 1 218 218 ARG H H 1 7.208 0.02 . 1 . . . . . . . . 6074 1 1018 . 1 1 218 218 ARG CA C 13 56.345 0.4 . 1 . . . . . . . . 6074 1 1019 . 1 1 218 218 ARG C C 13 175.633 0.4 . 1 . . . . . . . . 6074 1 1020 . 1 1 218 218 ARG CB C 13 32.634 0.4 . 1 . . . . . . . . 6074 1 1021 . 1 1 219 219 VAL N N 15 120.209 0.1 . 1 . . . . . . . . 6074 1 1022 . 1 1 219 219 VAL H H 1 8.606 0.02 . 1 . . . . . . . . 6074 1 1023 . 1 1 219 219 VAL CA C 13 61.411 0.4 . 1 . . . . . . . . 6074 1 1024 . 1 1 219 219 VAL C C 13 174.469 0.4 . 1 . . . . . . . . 6074 1 1025 . 1 1 219 219 VAL CB C 13 34.936 0.4 . 1 . . . . . . . . 6074 1 1026 . 1 1 220 220 ILE N N 15 127.956 0.1 . 1 . . . . . . . . 6074 1 1027 . 1 1 220 220 ILE H H 1 8.772 0.02 . 1 . . . . . . . . 6074 1 1028 . 1 1 220 220 ILE CA C 13 60.901 0.4 . 1 . . . . . . . . 6074 1 1029 . 1 1 220 220 ILE C C 13 174 0.4 . 1 . . . . . . . . 6074 1 1030 . 1 1 220 220 ILE CB C 13 38.011 0.4 . 1 . . . . . . . . 6074 1 1031 . 1 1 221 221 MET N N 15 126.117 0.1 . 1 . . . . . . . . 6074 1 1032 . 1 1 221 221 MET H H 1 9.025 0.02 . 1 . . . . . . . . 6074 1 1033 . 1 1 221 221 MET CA C 13 52.528 0.4 . 1 . . . . . . . . 6074 1 1034 . 1 1 221 221 MET CB C 13 37.641 0.4 . 1 . . . . . . . . 6074 1 1035 . 1 1 222 222 PRO CA C 13 62.058 0.4 . 1 . . . . . . . . 6074 1 1036 . 1 1 222 222 PRO C C 13 177.463 0.4 . 1 . . . . . . . . 6074 1 1037 . 1 1 222 222 PRO CB C 13 32.613 0.4 . 1 . . . . . . . . 6074 1 1038 . 1 1 223 223 ALA N N 15 123.532 0.1 . 1 . . . . . . . . 6074 1 1039 . 1 1 223 223 ALA H H 1 7.722 0.02 . 1 . . . . . . . . 6074 1 1040 . 1 1 223 223 ALA CA C 13 52.854 0.4 . 1 . . . . . . . . 6074 1 1041 . 1 1 223 223 ALA C C 13 178.074 0.4 . 1 . . . . . . . . 6074 1 1042 . 1 1 223 223 ALA CB C 13 19.902 0.4 . 1 . . . . . . . . 6074 1 1043 . 1 1 224 224 GLY N N 15 108.757 0.1 . 1 . . . . . . . . 6074 1 1044 . 1 1 224 224 GLY H H 1 8.41 0.02 . 1 . . . . . . . . 6074 1 1045 . 1 1 224 224 GLY CA C 13 45.948 0.4 . 1 . . . . . . . . 6074 1 1046 . 1 1 224 224 GLY C C 13 174.044 0.4 . 1 . . . . . . . . 6074 1 1047 . 1 1 225 225 TYR N N 15 122.39 0.1 . 1 . . . . . . . . 6074 1 1048 . 1 1 225 225 TYR H H 1 9.316 0.02 . 1 . . . . . . . . 6074 1 1049 . 1 1 225 225 TYR CA C 13 57.681 0.4 . 1 . . . . . . . . 6074 1 1050 . 1 1 225 225 TYR CB C 13 39.2 0.4 . 1 . . . . . . . . 6074 1 1051 . 1 1 226 226 PRO CA C 13 65.778 0.4 . 1 . . . . . . . . 6074 1 1052 . 1 1 226 226 PRO C C 13 180.84 0.4 . 1 . . . . . . . . 6074 1 1053 . 1 1 226 226 PRO CB C 13 32.972 0.4 . 1 . . . . . . . . 6074 1 1054 . 1 1 227 227 ARG N N 15 123.859 0.1 . 1 . . . . . . . . 6074 1 1055 . 1 1 227 227 ARG H H 1 10.44 0.02 . 1 . . . . . . . . 6074 1 1056 . 1 1 227 227 ARG CA C 13 60.885 0.4 . 1 . . . . . . . . 6074 1 1057 . 1 1 227 227 ARG C C 13 180.957 0.4 . 1 . . . . . . . . 6074 1 1058 . 1 1 227 227 ARG CB C 13 29.946 0.4 . 1 . . . . . . . . 6074 1 1059 . 1 1 228 228 THR N N 15 123.41 0.1 . 1 . . . . . . . . 6074 1 1060 . 1 1 228 228 THR H H 1 10.304 0.02 . 1 . . . . . . . . 6074 1 1061 . 1 1 228 228 THR CA C 13 69.76 0.4 . 1 . . . . . . . . 6074 1 1062 . 1 1 228 228 THR C C 13 176.221 0.4 . 1 . . . . . . . . 6074 1 1063 . 1 1 228 228 THR CB C 13 68.571 0.4 . 1 . . . . . . . . 6074 1 1064 . 1 1 229 229 ARG N N 15 121.516 0.1 . 1 . . . . . . . . 6074 1 1065 . 1 1 229 229 ARG H H 1 8.388 0.02 . 1 . . . . . . . . 6074 1 1066 . 1 1 229 229 ARG CA C 13 61.411 0.4 . 1 . . . . . . . . 6074 1 1067 . 1 1 229 229 ARG C C 13 178.177 0.4 . 1 . . . . . . . . 6074 1 1068 . 1 1 229 229 ARG CB C 13 30.232 0.4 . 1 . . . . . . . . 6074 1 1069 . 1 1 230 230 GLU N N 15 116.09 0.1 . 1 . . . . . . . . 6074 1 1070 . 1 1 230 230 GLU H H 1 7.69 0.02 . 1 . . . . . . . . 6074 1 1071 . 1 1 230 230 GLU CA C 13 60.033 0.4 . 1 . . . . . . . . 6074 1 1072 . 1 1 230 230 GLU C C 13 179.183 0.4 . 1 . . . . . . . . 6074 1 1073 . 1 1 230 230 GLU CB C 13 29.884 0.4 . 1 . . . . . . . . 6074 1 1074 . 1 1 231 231 LYS N N 15 117.775 0.1 . 1 . . . . . . . . 6074 1 1075 . 1 1 231 231 LYS H H 1 7.532 0.02 . 1 . . . . . . . . 6074 1 1076 . 1 1 231 231 LYS CA C 13 60.944 0.4 . 1 . . . . . . . . 6074 1 1077 . 1 1 231 231 LYS C C 13 179.226 0.4 . 1 . . . . . . . . 6074 1 1078 . 1 1 231 231 LYS CB C 13 33.382 0.4 . 1 . . . . . . . . 6074 1 1079 . 1 1 232 232 ILE N N 15 117.831 0.1 . 1 . . . . . . . . 6074 1 1080 . 1 1 232 232 ILE H H 1 8.025 0.02 . 1 . . . . . . . . 6074 1 1081 . 1 1 232 232 ILE CA C 13 66.65 0.4 . 1 . . . . . . . . 6074 1 1082 . 1 1 232 232 ILE C C 13 179.175 0.4 . 1 . . . . . . . . 6074 1 1083 . 1 1 232 232 ILE CB C 13 39.146 0.4 . 1 . . . . . . . . 6074 1 1084 . 1 1 233 233 ALA N N 15 122.093 0.1 . 1 . . . . . . . . 6074 1 1085 . 1 1 233 233 ALA H H 1 8.866 0.02 . 1 . . . . . . . . 6074 1 1086 . 1 1 233 233 ALA CA C 13 56.078 0.4 . 1 . . . . . . . . 6074 1 1087 . 1 1 233 233 ALA C C 13 182.696 0.4 . 1 . . . . . . . . 6074 1 1088 . 1 1 233 233 ALA CB C 13 18.569 0.4 . 1 . . . . . . . . 6074 1 1089 . 1 1 234 234 ARG N N 15 117.543 0.1 . 1 . . . . . . . . 6074 1 1090 . 1 1 234 234 ARG H H 1 8.028 0.02 . 1 . . . . . . . . 6074 1 1091 . 1 1 234 234 ARG CA C 13 59.294 0.4 . 1 . . . . . . . . 6074 1 1092 . 1 1 234 234 ARG C C 13 178.023 0.4 . 1 . . . . . . . . 6074 1 1093 . 1 1 234 234 ARG CB C 13 30.373 0.4 . 1 . . . . . . . . 6074 1 1094 . 1 1 235 235 LEU N N 15 117.825 0.1 . 1 . . . . . . . . 6074 1 1095 . 1 1 235 235 LEU H H 1 7.427 0.02 . 1 . . . . . . . . 6074 1 1096 . 1 1 235 235 LEU CA C 13 56.163 0.4 . 1 . . . . . . . . 6074 1 1097 . 1 1 235 235 LEU C C 13 177.931 0.4 . 1 . . . . . . . . 6074 1 1098 . 1 1 235 235 LEU CB C 13 42.888 0.4 . 1 . . . . . . . . 6074 1 1099 . 1 1 236 236 GLY N N 15 104.583 0.1 . 1 . . . . . . . . 6074 1 1100 . 1 1 236 236 GLY H H 1 7.805 0.02 . 1 . . . . . . . . 6074 1 1101 . 1 1 236 236 GLY CA C 13 45.936 0.4 . 1 . . . . . . . . 6074 1 1102 . 1 1 236 236 GLY C C 13 174.28 0.4 . 1 . . . . . . . . 6074 1 1103 . 1 1 237 237 TYR N N 15 116.332 0.1 . 1 . . . . . . . . 6074 1 1104 . 1 1 237 237 TYR H H 1 6.453 0.02 . 1 . . . . . . . . 6074 1 1105 . 1 1 237 237 TYR CA C 13 58.763 0.4 . 1 . . . . . . . . 6074 1 1106 . 1 1 237 237 TYR C C 13 175.825 0.4 . 1 . . . . . . . . 6074 1 1107 . 1 1 237 237 TYR CB C 13 40.55 0.4 . 1 . . . . . . . . 6074 1 1108 . 1 1 238 238 ARG N N 15 122.179 0.1 . 1 . . . . . . . . 6074 1 1109 . 1 1 238 238 ARG H H 1 7.82 0.02 . 1 . . . . . . . . 6074 1 1110 . 1 1 238 238 ARG CA C 13 56.998 0.4 . 1 . . . . . . . . 6074 1 1111 . 1 1 238 238 ARG C C 13 175.001 0.4 . 1 . . . . . . . . 6074 1 1112 . 1 1 238 238 ARG CB C 13 30.923 0.4 . 1 . . . . . . . . 6074 1 1113 . 1 1 239 239 VAL N N 15 126.849 0.1 . 1 . . . . . . . . 6074 1 1114 . 1 1 239 239 VAL H H 1 8.434 0.02 . 1 . . . . . . . . 6074 1 1115 . 1 1 239 239 VAL CA C 13 63.215 0.4 . 1 . . . . . . . . 6074 1 1116 . 1 1 239 239 VAL C C 13 176.138 0.4 . 1 . . . . . . . . 6074 1 1117 . 1 1 239 239 VAL CB C 13 33.348 0.4 . 1 . . . . . . . . 6074 1 1118 . 1 1 240 240 ILE N N 15 130.443 0.1 . 1 . . . . . . . . 6074 1 1119 . 1 1 240 240 ILE H H 1 9.266 0.02 . 1 . . . . . . . . 6074 1 1120 . 1 1 240 240 ILE CA C 13 61.817 0.4 . 1 . . . . . . . . 6074 1 1121 . 1 1 240 240 ILE C C 13 174.751 0.4 . 1 . . . . . . . . 6074 1 1122 . 1 1 240 240 ILE CB C 13 41.012 0.4 . 1 . . . . . . . . 6074 1 1123 . 1 1 241 241 GLU N N 15 124.931 0.1 . 1 . . . . . . . . 6074 1 1124 . 1 1 241 241 GLU H H 1 8.628 0.02 . 1 . . . . . . . . 6074 1 1125 . 1 1 241 241 GLU CA C 13 55.777 0.4 . 1 . . . . . . . . 6074 1 1126 . 1 1 241 241 GLU C C 13 176.987 0.4 . 1 . . . . . . . . 6074 1 1127 . 1 1 241 241 GLU CB C 13 33.197 0.4 . 1 . . . . . . . . 6074 1 1128 . 1 1 242 242 VAL N N 15 119.416 0.1 . 1 . . . . . . . . 6074 1 1129 . 1 1 242 242 VAL H H 1 8.916 0.02 . 1 . . . . . . . . 6074 1 1130 . 1 1 242 242 VAL CA C 13 60.289 0.4 . 1 . . . . . . . . 6074 1 1131 . 1 1 242 242 VAL C C 13 175.102 0.4 . 1 . . . . . . . . 6074 1 1132 . 1 1 242 242 VAL CB C 13 34.922 0.4 . 1 . . . . . . . . 6074 1 1133 . 1 1 243 243 ASP N N 15 127.139 0.1 . 1 . . . . . . . . 6074 1 1134 . 1 1 243 243 ASP H H 1 9.058 0.02 . 1 . . . . . . . . 6074 1 1135 . 1 1 243 243 ASP CA C 13 55.482 0.4 . 1 . . . . . . . . 6074 1 1136 . 1 1 243 243 ASP C C 13 176.623 0.4 . 1 . . . . . . . . 6074 1 1137 . 1 1 243 243 ASP CB C 13 40.838 0.4 . 1 . . . . . . . . 6074 1 1138 . 1 1 244 244 THR N N 15 114.823 0.1 . 1 . . . . . . . . 6074 1 1139 . 1 1 244 244 THR H H 1 8.305 0.02 . 1 . . . . . . . . 6074 1 1140 . 1 1 244 244 THR CA C 13 61.583 0.4 . 1 . . . . . . . . 6074 1 1141 . 1 1 244 244 THR C C 13 178.063 0.4 . 1 . . . . . . . . 6074 1 1142 . 1 1 244 244 THR CB C 13 68.622 0.4 . 1 . . . . . . . . 6074 1 1143 . 1 1 245 245 SER N N 15 119.481 0.1 . 1 . . . . . . . . 6074 1 1144 . 1 1 245 245 SER H H 1 8.4 0.02 . 1 . . . . . . . . 6074 1 1145 . 1 1 245 245 SER CA C 13 63.469 0.4 . 1 . . . . . . . . 6074 1 1146 . 1 1 245 245 SER C C 13 177.052 0.4 . 1 . . . . . . . . 6074 1 1147 . 1 1 245 245 SER CB C 13 63.167 0.4 . 1 . . . . . . . . 6074 1 1148 . 1 1 246 246 GLU N N 15 121.659 0.1 . 1 . . . . . . . . 6074 1 1149 . 1 1 246 246 GLU H H 1 9.606 0.02 . 1 . . . . . . . . 6074 1 1150 . 1 1 246 246 GLU CA C 13 59.413 0.4 . 1 . . . . . . . . 6074 1 1151 . 1 1 246 246 GLU C C 13 176.74 0.4 . 1 . . . . . . . . 6074 1 1152 . 1 1 246 246 GLU CB C 13 29.178 0.4 . 1 . . . . . . . . 6074 1 1153 . 1 1 247 247 TYR N N 15 115.568 0.1 . 1 . . . . . . . . 6074 1 1154 . 1 1 247 247 TYR H H 1 7.102 0.02 . 1 . . . . . . . . 6074 1 1155 . 1 1 247 247 TYR CA C 13 61.713 0.4 . 1 . . . . . . . . 6074 1 1156 . 1 1 247 247 TYR C C 13 179.496 0.4 . 1 . . . . . . . . 6074 1 1157 . 1 1 247 247 TYR CB C 13 38.493 0.4 . 1 . . . . . . . . 6074 1 1158 . 1 1 248 248 ARG N N 15 124.13 0.1 . 1 . . . . . . . . 6074 1 1159 . 1 1 248 248 ARG H H 1 8.279 0.02 . 1 . . . . . . . . 6074 1 1160 . 1 1 248 248 ARG CA C 13 60.455 0.4 . 1 . . . . . . . . 6074 1 1161 . 1 1 248 248 ARG C C 13 179.235 0.4 . 1 . . . . . . . . 6074 1 1162 . 1 1 248 248 ARG CB C 13 29.996 0.4 . 1 . . . . . . . . 6074 1 1163 . 1 1 249 249 LYS N N 15 114.798 0.1 . 1 . . . . . . . . 6074 1 1164 . 1 1 249 249 LYS H H 1 6.875 0.02 . 1 . . . . . . . . 6074 1 1165 . 1 1 249 249 LYS CA C 13 60.395 0.4 . 1 . . . . . . . . 6074 1 1166 . 1 1 249 249 LYS C C 13 177.286 0.4 . 1 . . . . . . . . 6074 1 1167 . 1 1 249 249 LYS CB C 13 33.933 0.4 . 1 . . . . . . . . 6074 1 1168 . 1 1 250 250 ILE N N 15 109.875 0.1 . 1 . . . . . . . . 6074 1 1169 . 1 1 250 250 ILE H H 1 7.212 0.02 . 1 . . . . . . . . 6074 1 1170 . 1 1 250 250 ILE CA C 13 61.173 0.4 . 1 . . . . . . . . 6074 1 1171 . 1 1 250 250 ILE C C 13 173.979 0.4 . 1 . . . . . . . . 6074 1 1172 . 1 1 250 250 ILE CB C 13 37.363 0.4 . 1 . . . . . . . . 6074 1 1173 . 1 1 251 251 ASP N N 15 112.897 0.1 . 1 . . . . . . . . 6074 1 1174 . 1 1 251 251 ASP H H 1 7.521 0.02 . 1 . . . . . . . . 6074 1 1175 . 1 1 251 251 ASP CA C 13 57.048 0.4 . 1 . . . . . . . . 6074 1 1176 . 1 1 251 251 ASP C C 13 174.978 0.4 . 1 . . . . . . . . 6074 1 1177 . 1 1 251 251 ASP CB C 13 39.895 0.4 . 1 . . . . . . . . 6074 1 1178 . 1 1 252 252 GLY N N 15 103.997 0.1 . 1 . . . . . . . . 6074 1 1179 . 1 1 252 252 GLY H H 1 8.304 0.02 . 1 . . . . . . . . 6074 1 1180 . 1 1 252 252 GLY CA C 13 45.917 0.4 . 1 . . . . . . . . 6074 1 1181 . 1 1 252 252 GLY C C 13 173.224 0.4 . 1 . . . . . . . . 6074 1 1182 . 1 1 253 253 GLY N N 15 109.143 0.1 . 1 . . . . . . . . 6074 1 1183 . 1 1 253 253 GLY H H 1 6.892 0.02 . 1 . . . . . . . . 6074 1 1184 . 1 1 253 253 GLY CA C 13 45.067 0.4 . 1 . . . . . . . . 6074 1 1185 . 1 1 253 253 GLY C C 13 173.836 0.4 . 1 . . . . . . . . 6074 1 1186 . 1 1 254 254 VAL N N 15 113.247 0.1 . 1 . . . . . . . . 6074 1 1187 . 1 1 254 254 VAL H H 1 8.399 0.02 . 1 . . . . . . . . 6074 1 1188 . 1 1 254 254 VAL CA C 13 66.73 0.4 . 1 . . . . . . . . 6074 1 1189 . 1 1 254 254 VAL C C 13 180.345 0.4 . 1 . . . . . . . . 6074 1 1190 . 1 1 254 254 VAL CB C 13 32.965 0.4 . 1 . . . . . . . . 6074 1 1191 . 1 1 255 255 SER N N 15 122.638 0.1 . 1 . . . . . . . . 6074 1 1192 . 1 1 255 255 SER H H 1 10.433 0.02 . 1 . . . . . . . . 6074 1 1193 . 1 1 255 255 SER CA C 13 63.217 0.4 . 1 . . . . . . . . 6074 1 1194 . 1 1 255 255 SER C C 13 176.855 0.4 . 1 . . . . . . . . 6074 1 1195 . 1 1 255 255 SER CB C 13 61.388 0.4 . 1 . . . . . . . . 6074 1 1196 . 1 1 256 256 CYS N N 15 117.889 0.1 . 1 . . . . . . . . 6074 1 1197 . 1 1 256 256 CYS H H 1 7.163 0.02 . 1 . . . . . . . . 6074 1 1198 . 1 1 256 256 CYS CA C 13 58.842 0.4 . 1 . . . . . . . . 6074 1 1199 . 1 1 256 256 CYS C C 13 176.165 0.4 . 1 . . . . . . . . 6074 1 1200 . 1 1 256 256 CYS CB C 13 30.954 0.4 . 1 . . . . . . . . 6074 1 1201 . 1 1 257 257 MET N N 15 109.94 0.1 . 1 . . . . . . . . 6074 1 1202 . 1 1 257 257 MET H H 1 6.571 0.02 . 1 . . . . . . . . 6074 1 1203 . 1 1 257 257 MET CA C 13 57.155 0.4 . 1 . . . . . . . . 6074 1 1204 . 1 1 257 257 MET C C 13 175.077 0.4 . 1 . . . . . . . . 6074 1 1205 . 1 1 257 257 MET CB C 13 36.866 0.4 . 1 . . . . . . . . 6074 1 1206 . 1 1 258 258 SER N N 15 108.274 0.1 . 1 . . . . . . . . 6074 1 1207 . 1 1 258 258 SER H H 1 7.615 0.02 . 1 . . . . . . . . 6074 1 1208 . 1 1 258 258 SER CA C 13 59.756 0.4 . 1 . . . . . . . . 6074 1 1209 . 1 1 258 258 SER C C 13 173.162 0.4 . 1 . . . . . . . . 6074 1 1210 . 1 1 258 258 SER CB C 13 67.021 0.4 . 1 . . . . . . . . 6074 1 1211 . 1 1 259 259 LEU N N 15 119.603 0.1 . 1 . . . . . . . . 6074 1 1212 . 1 1 259 259 LEU H H 1 8.663 0.02 . 1 . . . . . . . . 6074 1 1213 . 1 1 259 259 LEU CA C 13 55.252 0.4 . 1 . . . . . . . . 6074 1 1214 . 1 1 259 259 LEU C C 13 175.723 0.4 . 1 . . . . . . . . 6074 1 1215 . 1 1 259 259 LEU CB C 13 44.941 0.4 . 1 . . . . . . . . 6074 1 1216 . 1 1 260 260 ARG N N 15 122.066 0.1 . 1 . . . . . . . . 6074 1 1217 . 1 1 260 260 ARG H H 1 9.405 0.02 . 1 . . . . . . . . 6074 1 1218 . 1 1 260 260 ARG CA C 13 55.347 0.4 . 1 . . . . . . . . 6074 1 1219 . 1 1 260 260 ARG C C 13 173.348 0.4 . 1 . . . . . . . . 6074 1 1220 . 1 1 260 260 ARG CB C 13 31.48 0.4 . 1 . . . . . . . . 6074 1 1221 . 1 1 261 261 PHE N N 15 125.464 0.1 . 1 . . . . . . . . 6074 1 1222 . 1 1 261 261 PHE H H 1 8.306 0.02 . 1 . . . . . . . . 6074 1 1223 . 1 1 261 261 PHE CA C 13 60.397 0.4 . 1 . . . . . . . . 6074 1 1224 . 1 1 261 261 PHE CB C 13 38.683 0.4 . 1 . . . . . . . . 6074 1 stop_ save_