data_5019 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5019 _Entry.Title ; 1H, 13C and 15N Chemical Shift Assignments of the N-terminal PAS Domain of mNPAS2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2001-05-22 _Entry.Accession_date 2001-05-22 _Entry.Last_release_date 2002-04-05 _Entry.Original_release_date 2002-04-05 _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 Terra Holdeman . C . 5019 2 Kevin Gardner . H . 5019 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5019 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 466 5019 '15N chemical shifts' 154 5019 '1H chemical shifts' 244 5019 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 . . 2002-04-05 2001-05-22 original author . 5019 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5019 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 21682383 _Citation.DOI . _Citation.PubMed_ID 11824759 _Citation.Full_citation . _Citation.Title ; 1H, 13C and 15N Chemical Shift Assignments of the N-terminal PAS Domain of mNPAS2 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 21 _Citation.Journal_issue 4 _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 383 _Citation.Page_last 384 _Citation.Year 2001 _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 Terra Holdeman . C . 5019 1 2 Kevin Gardner . H . 5019 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_mNPAS2_PAS_A _Assembly.Sf_category assembly _Assembly.Sf_framecode system_mNPAS2_PAS_A _Assembly.Entry_ID 5019 _Assembly.ID 1 _Assembly.Name mNPAS2(78-240) _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 . _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 5019 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 'mNPAS2(78-240) monomer' 1 $mNPAS2(78-240)_monomer . . . native . . . . . 5019 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID mNPAS2(78-240) system 5019 1 'mNPAS2 PAS A' abbreviation 5019 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'circadian regulator' 5019 1 'transcriptional activator' 5019 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_mNPAS2(78-240)_monomer _Entity.Sf_category entity _Entity.Sf_framecode mNPAS2(78-240)_monomer _Entity.Entry_ID 5019 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'neuronal PAS protein 2' _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 ; GAMASFLSNEEFTQLMLEAL DGFVIVVTTDGSIIYVSDSI TPLLGHLPADVMDQNLLNFL PEQEHSEVYKILSSHMLVTD SPSPEFLKSDNDLEFYCHLL RGSLNPKEFPTYEYIKFVGN FRSYNNVPSPSCNGFDNTLS RPCHVPLGKDVCFIATVRLA TPQFLKE ; _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 167 _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 18715 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _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 GB AAB47249 . "neuronal PAS2 [Mus musculus]" . . . . . 97.60 816 100.00 100.00 3.73e-110 . . . . 5019 1 2 no GB AAI09167 . "Neuronal PAS domain protein 2 [Mus musculus]" . . . . . 97.60 816 100.00 100.00 4.01e-110 . . . . 5019 1 3 no GB EDL14555 . "neuronal PAS domain protein 2 [Mus musculus]" . . . . . 97.60 816 100.00 100.00 3.73e-110 . . . . 5019 1 4 no REF NP_001101684 . "neuronal PAS domain-containing protein 2 [Rattus norvegicus]" . . . . . 97.60 816 98.16 99.39 6.29e-108 . . . . 5019 1 5 no REF NP_032745 . "neuronal PAS domain-containing protein 2 [Mus musculus]" . . . . . 97.60 816 100.00 100.00 3.73e-110 . . . . 5019 1 6 no REF XP_008765253 . "PREDICTED: neuronal PAS domain-containing protein 2 isoform X1 [Rattus norvegicus]" . . . . . 97.60 816 98.16 99.39 6.29e-108 . . . . 5019 1 7 no REF XP_008765254 . "PREDICTED: neuronal PAS domain-containing protein 2 isoform X1 [Rattus norvegicus]" . . . . . 97.60 816 98.16 99.39 6.29e-108 . . . . 5019 1 8 no REF XP_008765255 . "PREDICTED: neuronal PAS domain-containing protein 2 isoform X1 [Rattus norvegicus]" . . . . . 97.60 816 98.16 99.39 6.29e-108 . . . . 5019 1 9 no SP P97460 . "RecName: Full=Neuronal PAS domain-containing protein 2; Short=Neuronal PAS2 [Mus musculus]" . . . . . 97.60 816 100.00 100.00 3.73e-110 . . . . 5019 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID mNPAS2 abbreviation 5019 1 'neuronal PAS protein 2' common 5019 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 74 GLY . 5019 1 2 75 ALA . 5019 1 3 76 MET . 5019 1 4 77 ALA . 5019 1 5 78 SER . 5019 1 6 79 PHE . 5019 1 7 80 LEU . 5019 1 8 81 SER . 5019 1 9 82 ASN . 5019 1 10 83 GLU . 5019 1 11 84 GLU . 5019 1 12 85 PHE . 5019 1 13 86 THR . 5019 1 14 87 GLN . 5019 1 15 88 LEU . 5019 1 16 89 MET . 5019 1 17 90 LEU . 5019 1 18 91 GLU . 5019 1 19 92 ALA . 5019 1 20 93 LEU . 5019 1 21 94 ASP . 5019 1 22 95 GLY . 5019 1 23 96 PHE . 5019 1 24 97 VAL . 5019 1 25 98 ILE . 5019 1 26 99 VAL . 5019 1 27 100 VAL . 5019 1 28 101 THR . 5019 1 29 102 THR . 5019 1 30 103 ASP . 5019 1 31 104 GLY . 5019 1 32 105 SER . 5019 1 33 106 ILE . 5019 1 34 107 ILE . 5019 1 35 108 TYR . 5019 1 36 109 VAL . 5019 1 37 110 SER . 5019 1 38 111 ASP . 5019 1 39 112 SER . 5019 1 40 113 ILE . 5019 1 41 114 THR . 5019 1 42 115 PRO . 5019 1 43 116 LEU . 5019 1 44 117 LEU . 5019 1 45 118 GLY . 5019 1 46 119 HIS . 5019 1 47 120 LEU . 5019 1 48 121 PRO . 5019 1 49 122 ALA . 5019 1 50 123 ASP . 5019 1 51 124 VAL . 5019 1 52 125 MET . 5019 1 53 126 ASP . 5019 1 54 127 GLN . 5019 1 55 128 ASN . 5019 1 56 129 LEU . 5019 1 57 130 LEU . 5019 1 58 131 ASN . 5019 1 59 132 PHE . 5019 1 60 133 LEU . 5019 1 61 134 PRO . 5019 1 62 135 GLU . 5019 1 63 136 GLN . 5019 1 64 137 GLU . 5019 1 65 138 HIS . 5019 1 66 139 SER . 5019 1 67 140 GLU . 5019 1 68 141 VAL . 5019 1 69 142 TYR . 5019 1 70 143 LYS . 5019 1 71 144 ILE . 5019 1 72 145 LEU . 5019 1 73 146 SER . 5019 1 74 147 SER . 5019 1 75 148 HIS . 5019 1 76 149 MET . 5019 1 77 150 LEU . 5019 1 78 151 VAL . 5019 1 79 152 THR . 5019 1 80 153 ASP . 5019 1 81 154 SER . 5019 1 82 155 PRO . 5019 1 83 156 SER . 5019 1 84 157 PRO . 5019 1 85 158 GLU . 5019 1 86 159 PHE . 5019 1 87 160 LEU . 5019 1 88 161 LYS . 5019 1 89 162 SER . 5019 1 90 163 ASP . 5019 1 91 164 ASN . 5019 1 92 165 ASP . 5019 1 93 166 LEU . 5019 1 94 167 GLU . 5019 1 95 168 PHE . 5019 1 96 169 TYR . 5019 1 97 170 CYS . 5019 1 98 171 HIS . 5019 1 99 172 LEU . 5019 1 100 173 LEU . 5019 1 101 174 ARG . 5019 1 102 175 GLY . 5019 1 103 176 SER . 5019 1 104 177 LEU . 5019 1 105 178 ASN . 5019 1 106 179 PRO . 5019 1 107 180 LYS . 5019 1 108 181 GLU . 5019 1 109 182 PHE . 5019 1 110 183 PRO . 5019 1 111 184 THR . 5019 1 112 185 TYR . 5019 1 113 186 GLU . 5019 1 114 187 TYR . 5019 1 115 188 ILE . 5019 1 116 189 LYS . 5019 1 117 190 PHE . 5019 1 118 191 VAL . 5019 1 119 192 GLY . 5019 1 120 193 ASN . 5019 1 121 194 PHE . 5019 1 122 195 ARG . 5019 1 123 196 SER . 5019 1 124 197 TYR . 5019 1 125 198 ASN . 5019 1 126 199 ASN . 5019 1 127 200 VAL . 5019 1 128 201 PRO . 5019 1 129 202 SER . 5019 1 130 203 PRO . 5019 1 131 204 SER . 5019 1 132 205 CYS . 5019 1 133 206 ASN . 5019 1 134 207 GLY . 5019 1 135 208 PHE . 5019 1 136 209 ASP . 5019 1 137 210 ASN . 5019 1 138 211 THR . 5019 1 139 212 LEU . 5019 1 140 213 SER . 5019 1 141 214 ARG . 5019 1 142 215 PRO . 5019 1 143 216 CYS . 5019 1 144 217 HIS . 5019 1 145 218 VAL . 5019 1 146 219 PRO . 5019 1 147 220 LEU . 5019 1 148 221 GLY . 5019 1 149 222 LYS . 5019 1 150 223 ASP . 5019 1 151 224 VAL . 5019 1 152 225 CYS . 5019 1 153 226 PHE . 5019 1 154 227 ILE . 5019 1 155 228 ALA . 5019 1 156 229 THR . 5019 1 157 230 VAL . 5019 1 158 231 ARG . 5019 1 159 232 LEU . 5019 1 160 233 ALA . 5019 1 161 234 THR . 5019 1 162 235 PRO . 5019 1 163 236 GLN . 5019 1 164 237 PHE . 5019 1 165 238 LEU . 5019 1 166 239 LYS . 5019 1 167 240 GLU . 5019 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 5019 1 . ALA 2 2 5019 1 . MET 3 3 5019 1 . ALA 4 4 5019 1 . SER 5 5 5019 1 . PHE 6 6 5019 1 . LEU 7 7 5019 1 . SER 8 8 5019 1 . ASN 9 9 5019 1 . GLU 10 10 5019 1 . GLU 11 11 5019 1 . PHE 12 12 5019 1 . THR 13 13 5019 1 . GLN 14 14 5019 1 . LEU 15 15 5019 1 . MET 16 16 5019 1 . LEU 17 17 5019 1 . GLU 18 18 5019 1 . ALA 19 19 5019 1 . LEU 20 20 5019 1 . ASP 21 21 5019 1 . GLY 22 22 5019 1 . PHE 23 23 5019 1 . VAL 24 24 5019 1 . ILE 25 25 5019 1 . VAL 26 26 5019 1 . VAL 27 27 5019 1 . THR 28 28 5019 1 . THR 29 29 5019 1 . ASP 30 30 5019 1 . GLY 31 31 5019 1 . SER 32 32 5019 1 . ILE 33 33 5019 1 . ILE 34 34 5019 1 . TYR 35 35 5019 1 . VAL 36 36 5019 1 . SER 37 37 5019 1 . ASP 38 38 5019 1 . SER 39 39 5019 1 . ILE 40 40 5019 1 . THR 41 41 5019 1 . PRO 42 42 5019 1 . LEU 43 43 5019 1 . LEU 44 44 5019 1 . GLY 45 45 5019 1 . HIS 46 46 5019 1 . LEU 47 47 5019 1 . PRO 48 48 5019 1 . ALA 49 49 5019 1 . ASP 50 50 5019 1 . VAL 51 51 5019 1 . MET 52 52 5019 1 . ASP 53 53 5019 1 . GLN 54 54 5019 1 . ASN 55 55 5019 1 . LEU 56 56 5019 1 . LEU 57 57 5019 1 . ASN 58 58 5019 1 . PHE 59 59 5019 1 . LEU 60 60 5019 1 . PRO 61 61 5019 1 . GLU 62 62 5019 1 . GLN 63 63 5019 1 . GLU 64 64 5019 1 . HIS 65 65 5019 1 . SER 66 66 5019 1 . GLU 67 67 5019 1 . VAL 68 68 5019 1 . TYR 69 69 5019 1 . LYS 70 70 5019 1 . ILE 71 71 5019 1 . LEU 72 72 5019 1 . SER 73 73 5019 1 . SER 74 74 5019 1 . HIS 75 75 5019 1 . MET 76 76 5019 1 . LEU 77 77 5019 1 . VAL 78 78 5019 1 . THR 79 79 5019 1 . ASP 80 80 5019 1 . SER 81 81 5019 1 . PRO 82 82 5019 1 . SER 83 83 5019 1 . PRO 84 84 5019 1 . GLU 85 85 5019 1 . PHE 86 86 5019 1 . LEU 87 87 5019 1 . LYS 88 88 5019 1 . SER 89 89 5019 1 . ASP 90 90 5019 1 . ASN 91 91 5019 1 . ASP 92 92 5019 1 . LEU 93 93 5019 1 . GLU 94 94 5019 1 . PHE 95 95 5019 1 . TYR 96 96 5019 1 . CYS 97 97 5019 1 . HIS 98 98 5019 1 . LEU 99 99 5019 1 . LEU 100 100 5019 1 . ARG 101 101 5019 1 . GLY 102 102 5019 1 . SER 103 103 5019 1 . LEU 104 104 5019 1 . ASN 105 105 5019 1 . PRO 106 106 5019 1 . LYS 107 107 5019 1 . GLU 108 108 5019 1 . PHE 109 109 5019 1 . PRO 110 110 5019 1 . THR 111 111 5019 1 . TYR 112 112 5019 1 . GLU 113 113 5019 1 . TYR 114 114 5019 1 . ILE 115 115 5019 1 . LYS 116 116 5019 1 . PHE 117 117 5019 1 . VAL 118 118 5019 1 . GLY 119 119 5019 1 . ASN 120 120 5019 1 . PHE 121 121 5019 1 . ARG 122 122 5019 1 . SER 123 123 5019 1 . TYR 124 124 5019 1 . ASN 125 125 5019 1 . ASN 126 126 5019 1 . VAL 127 127 5019 1 . PRO 128 128 5019 1 . SER 129 129 5019 1 . PRO 130 130 5019 1 . SER 131 131 5019 1 . CYS 132 132 5019 1 . ASN 133 133 5019 1 . GLY 134 134 5019 1 . PHE 135 135 5019 1 . ASP 136 136 5019 1 . ASN 137 137 5019 1 . THR 138 138 5019 1 . LEU 139 139 5019 1 . SER 140 140 5019 1 . ARG 141 141 5019 1 . PRO 142 142 5019 1 . CYS 143 143 5019 1 . HIS 144 144 5019 1 . VAL 145 145 5019 1 . PRO 146 146 5019 1 . LEU 147 147 5019 1 . GLY 148 148 5019 1 . LYS 149 149 5019 1 . ASP 150 150 5019 1 . VAL 151 151 5019 1 . CYS 152 152 5019 1 . PHE 153 153 5019 1 . ILE 154 154 5019 1 . ALA 155 155 5019 1 . THR 156 156 5019 1 . VAL 157 157 5019 1 . ARG 158 158 5019 1 . LEU 159 159 5019 1 . ALA 160 160 5019 1 . THR 161 161 5019 1 . PRO 162 162 5019 1 . GLN 163 163 5019 1 . PHE 164 164 5019 1 . LEU 165 165 5019 1 . LYS 166 166 5019 1 . GLU 167 167 5019 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 5019 _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 $mNPAS2(78-240)_monomer . 10090 . . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 5019 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 5019 _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 $mNPAS2(78-240)_monomer . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . . . . . . . . 5019 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5019 _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 'neuronal PAS protein 2' '[U-13C; U-15N]' . . 1 $mNPAS2(78-240)_monomer . . 1.0 0.8 1.2 mM . . . . 5019 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5019 _Sample.ID 2 _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 'neuronal PAS protein 2' '[U-99% 2H; U-15N]' . . 1 $mNPAS2(78-240)_monomer . . 1.2 0.8 1.2 mM . . . . 5019 2 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 5019 _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 7.5 0.1 n/a 5019 1 temperature 303 0.2 K 5019 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 5019 _Software.ID 1 _Software.Name NMRView _Software.Version 4.0 _Software.Details ; Johnson, B.A., Blevins, R.A. (1994) J.Biomol.NMR,4,603-614. ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID assignments 5019 1 stop_ save_ save_nmrPipe _Software.Sf_category software _Software.Sf_framecode nmrPipe _Software.Entry_ID 5019 _Software.ID 2 _Software.Name NMRPipe _Software.Version 1.8 _Software.Details ; Delaglio, F., Grzesiek, S., Vuister, G.W., Zhu, G., Pfeifer, J., Bax, A. J. Biomol. NMR 6(1995): 277-293 ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 5019 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5019 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5019 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5019 _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_1 Varian Inova . 500 . . . 5019 1 2 NMR_spectrometer_2 Varian Inova . 600 . . . 5019 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 5019 _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 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5019 1 2 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5019 1 3 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5019 1 4 (HCA)CO(CA)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5019 1 5 HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5019 1 6 '3D 15N-edited NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5019 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 5019 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _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 5019 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _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 5019 _NMR_spec_expt.ID 3 _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_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5019 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name (HCA)CO(CA)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _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 5019 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNHA _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_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5019 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D 15N-edited NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _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 5019 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5019 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5019 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5019 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 5019 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_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 ; residues 1-4 are vector-derived and hence not part of the natural sequence a minor peak was observed in 15N/1H HSQC experiments for each of the following residues and presumed to originate from a minor conformation: L43, G45, H46, L47, V51, D53, F86, L100, R101, G102, E113 ; _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 $sample_1 . 5019 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 MET CA C 13 56.043 0.2 . 1 . . . . . . . . 5019 1 2 . 1 1 3 3 MET CB C 13 32.734 0.2 . 1 . . . . . . . . 5019 1 3 . 1 1 3 3 MET C C 13 176.189 0.2 . 1 . . . . . . . . 5019 1 4 . 1 1 4 4 ALA N N 15 123.741 0.1 . 1 . . . . . . . . 5019 1 5 . 1 1 4 4 ALA H H 1 8.005 0.02 . 1 . . . . . . . . 5019 1 6 . 1 1 4 4 ALA CA C 13 53.019 0.2 . 1 . . . . . . . . 5019 1 7 . 1 1 4 4 ALA HA H 1 4.336 0.02 . 1 . . . . . . . . 5019 1 8 . 1 1 4 4 ALA CB C 13 19.063 0.2 . 1 . . . . . . . . 5019 1 9 . 1 1 4 4 ALA C C 13 178.200 0.2 . 1 . . . . . . . . 5019 1 10 . 1 1 5 5 SER N N 15 114.263 0.1 . 1 . . . . . . . . 5019 1 11 . 1 1 5 5 SER H H 1 8.144 0.02 . 1 . . . . . . . . 5019 1 12 . 1 1 5 5 SER HA H 1 4.696 0.02 . 1 . . . . . . . . 5019 1 13 . 1 1 7 7 LEU CA C 13 54.274 0.2 . 1 . . . . . . . . 5019 1 14 . 1 1 7 7 LEU CB C 13 41.750 0.2 . 1 . . . . . . . . 5019 1 15 . 1 1 7 7 LEU C C 13 175.123 0.2 . 1 . . . . . . . . 5019 1 16 . 1 1 8 8 SER N N 15 114.918 0.1 . 1 . . . . . . . . 5019 1 17 . 1 1 8 8 SER H H 1 8.019 0.02 . 1 . . . . . . . . 5019 1 18 . 1 1 8 8 SER CA C 13 55.772 0.2 . 1 . . . . . . . . 5019 1 19 . 1 1 8 8 SER HA H 1 4.610 0.02 . 1 . . . . . . . . 5019 1 20 . 1 1 8 8 SER CB C 13 64.394 0.2 . 1 . . . . . . . . 5019 1 21 . 1 1 8 8 SER C C 13 173.159 0.2 . 1 . . . . . . . . 5019 1 22 . 1 1 9 9 ASN CA C 13 55.657 0.2 . 1 . . . . . . . . 5019 1 23 . 1 1 9 9 ASN CB C 13 39.066 0.2 . 1 . . . . . . . . 5019 1 24 . 1 1 9 9 ASN CG C 13 176.370 0.2 . 1 . . . . . . . . 5019 1 25 . 1 1 9 9 ASN ND2 N 15 112.940 0.1 . 1 . . . . . . . . 5019 1 26 . 1 1 9 9 ASN HD21 H 1 7.685 0.02 . 2 . . . . . . . . 5019 1 27 . 1 1 9 9 ASN HD22 H 1 6.964 0.02 . 2 . . . . . . . . 5019 1 28 . 1 1 9 9 ASN C C 13 177.279 0.2 . 1 . . . . . . . . 5019 1 29 . 1 1 10 10 GLU N N 15 121.851 0.1 . 1 . . . . . . . . 5019 1 30 . 1 1 10 10 GLU H H 1 9.011 0.02 . 1 . . . . . . . . 5019 1 31 . 1 1 10 10 GLU CA C 13 59.998 0.2 . 1 . . . . . . . . 5019 1 32 . 1 1 10 10 GLU CB C 13 29.413 0.2 . 1 . . . . . . . . 5019 1 33 . 1 1 10 10 GLU C C 13 178.604 0.2 . 1 . . . . . . . . 5019 1 34 . 1 1 11 11 GLU N N 15 120.354 0.1 . 1 . . . . . . . . 5019 1 35 . 1 1 11 11 GLU H H 1 8.094 0.02 . 1 . . . . . . . . 5019 1 36 . 1 1 11 11 GLU CA C 13 59.176 0.2 . 1 . . . . . . . . 5019 1 37 . 1 1 11 11 GLU HA H 1 4.649 0.02 . 1 . . . . . . . . 5019 1 38 . 1 1 11 11 GLU CB C 13 30.303 0.2 . 1 . . . . . . . . 5019 1 39 . 1 1 11 11 GLU C C 13 178.735 0.2 . 1 . . . . . . . . 5019 1 40 . 1 1 12 12 PHE N N 15 120.443 0.1 . 1 . . . . . . . . 5019 1 41 . 1 1 12 12 PHE H H 1 8.385 0.02 . 1 . . . . . . . . 5019 1 42 . 1 1 12 12 PHE CA C 13 61.110 0.2 . 1 . . . . . . . . 5019 1 43 . 1 1 12 12 PHE CB C 13 39.368 0.2 . 1 . . . . . . . . 5019 1 44 . 1 1 12 12 PHE C C 13 176.844 0.2 . 1 . . . . . . . . 5019 1 45 . 1 1 13 13 THR N N 15 114.614 0.1 . 1 . . . . . . . . 5019 1 46 . 1 1 13 13 THR H H 1 8.201 0.02 . 1 . . . . . . . . 5019 1 47 . 1 1 13 13 THR CA C 13 66.472 0.2 . 1 . . . . . . . . 5019 1 48 . 1 1 13 13 THR CB C 13 68.812 0.2 . 1 . . . . . . . . 5019 1 49 . 1 1 14 14 GLN N N 15 120.353 0.1 . 1 . . . . . . . . 5019 1 50 . 1 1 14 14 GLN H H 1 7.739 0.02 . 1 . . . . . . . . 5019 1 51 . 1 1 14 14 GLN CA C 13 58.790 0.2 . 1 . . . . . . . . 5019 1 52 . 1 1 14 14 GLN CB C 13 28.120 0.2 . 1 . . . . . . . . 5019 1 53 . 1 1 14 14 GLN CG C 13 33.390 0.2 . 1 . . . . . . . . 5019 1 54 . 1 1 14 14 GLN CD C 13 179.950 0.2 . 1 . . . . . . . . 5019 1 55 . 1 1 14 14 GLN NE2 N 15 112.300 0.1 . 1 . . . . . . . . 5019 1 56 . 1 1 14 14 GLN HE21 H 1 7.694 0.02 . 2 . . . . . . . . 5019 1 57 . 1 1 14 14 GLN HE22 H 1 6.710 0.02 . 2 . . . . . . . . 5019 1 58 . 1 1 14 14 GLN C C 13 177.650 0.2 . 1 . . . . . . . . 5019 1 59 . 1 1 15 15 LEU N N 15 120.248 0.1 . 1 . . . . . . . . 5019 1 60 . 1 1 15 15 LEU H H 1 7.754 0.02 . 1 . . . . . . . . 5019 1 61 . 1 1 15 15 LEU CA C 13 57.636 0.2 . 1 . . . . . . . . 5019 1 62 . 1 1 15 15 LEU CB C 13 42.146 0.2 . 1 . . . . . . . . 5019 1 63 . 1 1 15 15 LEU C C 13 179.270 0.2 . 1 . . . . . . . . 5019 1 64 . 1 1 16 16 MET N N 15 116.074 0.1 . 1 . . . . . . . . 5019 1 65 . 1 1 16 16 MET H H 1 7.789 0.02 . 1 . . . . . . . . 5019 1 66 . 1 1 16 16 MET CA C 13 57.503 0.2 . 1 . . . . . . . . 5019 1 67 . 1 1 16 16 MET CB C 13 32.005 0.2 . 1 . . . . . . . . 5019 1 68 . 1 1 16 16 MET C C 13 179.010 0.2 . 1 . . . . . . . . 5019 1 69 . 1 1 17 17 LEU N N 15 120.543 0.1 . 1 . . . . . . . . 5019 1 70 . 1 1 17 17 LEU H H 1 7.748 0.02 . 1 . . . . . . . . 5019 1 71 . 1 1 17 17 LEU CA C 13 57.468 0.2 . 1 . . . . . . . . 5019 1 72 . 1 1 17 17 LEU CB C 13 42.171 0.2 . 1 . . . . . . . . 5019 1 73 . 1 1 17 17 LEU C C 13 179.123 0.2 . 1 . . . . . . . . 5019 1 74 . 1 1 18 18 GLU N N 15 117.768 0.1 . 1 . . . . . . . . 5019 1 75 . 1 1 18 18 GLU H H 1 7.733 0.02 . 1 . . . . . . . . 5019 1 76 . 1 1 18 18 GLU CA C 13 57.095 0.2 . 1 . . . . . . . . 5019 1 77 . 1 1 18 18 GLU HA H 1 4.160 0.02 . 1 . . . . . . . . 5019 1 78 . 1 1 18 18 GLU CB C 13 29.861 0.2 . 1 . . . . . . . . 5019 1 79 . 1 1 18 18 GLU C C 13 176.870 0.2 . 1 . . . . . . . . 5019 1 80 . 1 1 19 19 ALA N N 15 122.901 0.1 . 1 . . . . . . . . 5019 1 81 . 1 1 19 19 ALA H H 1 7.480 0.02 . 1 . . . . . . . . 5019 1 82 . 1 1 19 19 ALA CA C 13 51.982 0.2 . 1 . . . . . . . . 5019 1 83 . 1 1 19 19 ALA HA H 1 4.267 0.02 . 1 . . . . . . . . 5019 1 84 . 1 1 19 19 ALA CB C 13 18.471 0.2 . 1 . . . . . . . . 5019 1 85 . 1 1 19 19 ALA C C 13 177.246 0.2 . 1 . . . . . . . . 5019 1 86 . 1 1 20 20 LEU N N 15 120.696 0.1 . 1 . . . . . . . . 5019 1 87 . 1 1 20 20 LEU H H 1 7.684 0.02 . 1 . . . . . . . . 5019 1 88 . 1 1 20 20 LEU CA C 13 57.070 0.2 . 1 . . . . . . . . 5019 1 89 . 1 1 20 20 LEU HA H 1 4.144 0.02 . 1 . . . . . . . . 5019 1 90 . 1 1 20 20 LEU CB C 13 41.725 0.2 . 1 . . . . . . . . 5019 1 91 . 1 1 20 20 LEU C C 13 177.520 0.2 . 1 . . . . . . . . 5019 1 92 . 1 1 21 21 ASP N N 15 118.855 0.1 . 1 . . . . . . . . 5019 1 93 . 1 1 21 21 ASP H H 1 8.667 0.02 . 1 . . . . . . . . 5019 1 94 . 1 1 21 21 ASP CA C 13 53.803 0.2 . 1 . . . . . . . . 5019 1 95 . 1 1 21 21 ASP HA H 1 4.637 0.02 . 1 . . . . . . . . 5019 1 96 . 1 1 21 21 ASP CB C 13 39.944 0.2 . 1 . . . . . . . . 5019 1 97 . 1 1 21 21 ASP C C 13 175.048 0.2 . 1 . . . . . . . . 5019 1 98 . 1 1 22 22 GLY N N 15 107.442 0.1 . 1 . . . . . . . . 5019 1 99 . 1 1 22 22 GLY H H 1 7.703 0.02 . 1 . . . . . . . . 5019 1 100 . 1 1 22 22 GLY CA C 13 45.518 0.2 . 1 . . . . . . . . 5019 1 101 . 1 1 22 22 GLY C C 13 172.329 0.2 . 1 . . . . . . . . 5019 1 102 . 1 1 23 23 PHE N N 15 115.321 0.1 . 1 . . . . . . . . 5019 1 103 . 1 1 23 23 PHE H H 1 8.460 0.02 . 1 . . . . . . . . 5019 1 104 . 1 1 23 23 PHE CA C 13 55.545 0.2 . 1 . . . . . . . . 5019 1 105 . 1 1 23 23 PHE HA H 1 4.893 0.02 . 1 . . . . . . . . 5019 1 106 . 1 1 23 23 PHE CB C 13 41.428 0.2 . 1 . . . . . . . . 5019 1 107 . 1 1 23 23 PHE C C 13 171.649 0.2 . 1 . . . . . . . . 5019 1 108 . 1 1 24 24 VAL N N 15 121.246 0.1 . 1 . . . . . . . . 5019 1 109 . 1 1 24 24 VAL H H 1 8.421 0.02 . 1 . . . . . . . . 5019 1 110 . 1 1 24 24 VAL CA C 13 60.760 0.2 . 1 . . . . . . . . 5019 1 111 . 1 1 24 24 VAL CB C 13 35.128 0.2 . 1 . . . . . . . . 5019 1 112 . 1 1 24 24 VAL C C 13 173.945 0.2 . 1 . . . . . . . . 5019 1 113 . 1 1 25 25 ILE N N 15 125.692 0.1 . 1 . . . . . . . . 5019 1 114 . 1 1 25 25 ILE H H 1 9.065 0.02 . 1 . . . . . . . . 5019 1 115 . 1 1 25 25 ILE CA C 13 58.817 0.2 . 1 . . . . . . . . 5019 1 116 . 1 1 25 25 ILE HA H 1 5.393 0.02 . 1 . . . . . . . . 5019 1 117 . 1 1 25 25 ILE CB C 13 44.022 0.2 . 1 . . . . . . . . 5019 1 118 . 1 1 25 25 ILE C C 13 171.251 0.2 . 1 . . . . . . . . 5019 1 119 . 1 1 26 26 VAL N N 15 124.917 0.1 . 1 . . . . . . . . 5019 1 120 . 1 1 26 26 VAL H H 1 8.563 0.02 . 1 . . . . . . . . 5019 1 121 . 1 1 26 26 VAL CA C 13 61.100 0.2 . 1 . . . . . . . . 5019 1 122 . 1 1 26 26 VAL CB C 13 34.344 0.2 . 1 . . . . . . . . 5019 1 123 . 1 1 26 26 VAL C C 13 175.670 0.2 . 1 . . . . . . . . 5019 1 124 . 1 1 27 27 VAL N N 15 123.754 0.1 . 1 . . . . . . . . 5019 1 125 . 1 1 27 27 VAL H H 1 9.166 0.02 . 1 . . . . . . . . 5019 1 126 . 1 1 27 27 VAL CA C 13 58.457 0.2 . 1 . . . . . . . . 5019 1 127 . 1 1 27 27 VAL HA H 1 5.688 0.02 . 1 . . . . . . . . 5019 1 128 . 1 1 27 27 VAL CB C 13 35.887 0.2 . 1 . . . . . . . . 5019 1 129 . 1 1 27 27 VAL C C 13 176.068 0.2 . 1 . . . . . . . . 5019 1 130 . 1 1 28 28 THR N N 15 115.165 0.1 . 1 . . . . . . . . 5019 1 131 . 1 1 28 28 THR H H 1 9.248 0.02 . 1 . . . . . . . . 5019 1 132 . 1 1 28 28 THR CA C 13 61.761 0.2 . 1 . . . . . . . . 5019 1 133 . 1 1 28 28 THR HA H 1 4.974 0.02 . 1 . . . . . . . . 5019 1 134 . 1 1 28 28 THR CB C 13 70.409 0.2 . 1 . . . . . . . . 5019 1 135 . 1 1 28 28 THR C C 13 177.028 0.2 . 1 . . . . . . . . 5019 1 136 . 1 1 29 29 THR N N 15 108.693 0.1 . 1 . . . . . . . . 5019 1 137 . 1 1 29 29 THR H H 1 8.402 0.02 . 1 . . . . . . . . 5019 1 138 . 1 1 29 29 THR CA C 13 64.926 0.2 . 1 . . . . . . . . 5019 1 139 . 1 1 29 29 THR CB C 13 68.920 0.2 . 1 . . . . . . . . 5019 1 140 . 1 1 29 29 THR C C 13 173.980 0.2 . 1 . . . . . . . . 5019 1 141 . 1 1 30 30 ASP N N 15 115.377 0.1 . 1 . . . . . . . . 5019 1 142 . 1 1 30 30 ASP H H 1 7.772 0.02 . 1 . . . . . . . . 5019 1 143 . 1 1 30 30 ASP CA C 13 53.117 0.2 . 1 . . . . . . . . 5019 1 144 . 1 1 30 30 ASP HA H 1 4.866 0.02 . 1 . . . . . . . . 5019 1 145 . 1 1 30 30 ASP CB C 13 41.056 0.2 . 1 . . . . . . . . 5019 1 146 . 1 1 30 30 ASP C C 13 177.319 0.2 . 1 . . . . . . . . 5019 1 147 . 1 1 31 31 GLY N N 15 107.745 0.1 . 1 . . . . . . . . 5019 1 148 . 1 1 31 31 GLY H H 1 8.281 0.02 . 1 . . . . . . . . 5019 1 149 . 1 1 31 31 GLY CA C 13 44.793 0.2 . 1 . . . . . . . . 5019 1 150 . 1 1 31 31 GLY C C 13 173.744 0.2 . 1 . . . . . . . . 5019 1 151 . 1 1 32 32 SER N N 15 118.582 0.1 . 1 . . . . . . . . 5019 1 152 . 1 1 32 32 SER H H 1 7.999 0.02 . 1 . . . . . . . . 5019 1 153 . 1 1 32 32 SER CA C 13 60.929 0.2 . 1 . . . . . . . . 5019 1 154 . 1 1 32 32 SER HA H 1 4.363 0.02 . 1 . . . . . . . . 5019 1 155 . 1 1 32 32 SER CB C 13 62.884 0.2 . 1 . . . . . . . . 5019 1 156 . 1 1 32 32 SER C C 13 174.183 0.2 . 1 . . . . . . . . 5019 1 157 . 1 1 33 33 ILE N N 15 125.882 0.1 . 1 . . . . . . . . 5019 1 158 . 1 1 33 33 ILE H H 1 8.826 0.02 . 1 . . . . . . . . 5019 1 159 . 1 1 33 33 ILE CA C 13 62.695 0.2 . 1 . . . . . . . . 5019 1 160 . 1 1 33 33 ILE CB C 13 37.755 0.2 . 1 . . . . . . . . 5019 1 161 . 1 1 33 33 ILE C C 13 176.414 0.2 . 1 . . . . . . . . 5019 1 162 . 1 1 34 34 ILE N N 15 125.560 0.1 . 1 . . . . . . . . 5019 1 163 . 1 1 34 34 ILE H H 1 8.684 0.02 . 1 . . . . . . . . 5019 1 164 . 1 1 34 34 ILE CA C 13 61.398 0.2 . 1 . . . . . . . . 5019 1 165 . 1 1 34 34 ILE CB C 13 39.056 0.2 . 1 . . . . . . . . 5019 1 166 . 1 1 34 34 ILE C C 13 175.981 0.2 . 1 . . . . . . . . 5019 1 167 . 1 1 35 35 TYR N N 15 118.729 0.1 . 1 . . . . . . . . 5019 1 168 . 1 1 35 35 TYR H H 1 7.647 0.02 . 1 . . . . . . . . 5019 1 169 . 1 1 35 35 TYR CA C 13 59.378 0.2 . 1 . . . . . . . . 5019 1 170 . 1 1 35 35 TYR HA H 1 4.611 0.02 . 1 . . . . . . . . 5019 1 171 . 1 1 35 35 TYR CB C 13 42.277 0.2 . 1 . . . . . . . . 5019 1 172 . 1 1 35 35 TYR C C 13 173.124 0.2 . 1 . . . . . . . . 5019 1 173 . 1 1 36 36 VAL N N 15 122.331 0.1 . 1 . . . . . . . . 5019 1 174 . 1 1 36 36 VAL H H 1 6.385 0.02 . 1 . . . . . . . . 5019 1 175 . 1 1 36 36 VAL CA C 13 59.344 0.2 . 1 . . . . . . . . 5019 1 176 . 1 1 36 36 VAL HA H 1 5.078 0.02 . 1 . . . . . . . . 5019 1 177 . 1 1 36 36 VAL CB C 13 35.271 0.2 . 1 . . . . . . . . 5019 1 178 . 1 1 36 36 VAL C C 13 172.354 0.2 . 1 . . . . . . . . 5019 1 179 . 1 1 37 37 SER N N 15 119.034 0.1 . 1 . . . . . . . . 5019 1 180 . 1 1 37 37 SER H H 1 8.478 0.02 . 1 . . . . . . . . 5019 1 181 . 1 1 37 37 SER CA C 13 58.086 0.2 . 1 . . . . . . . . 5019 1 182 . 1 1 37 37 SER CB C 13 65.184 0.2 . 1 . . . . . . . . 5019 1 183 . 1 1 37 37 SER C C 13 174.629 0.2 . 1 . . . . . . . . 5019 1 184 . 1 1 38 38 ASP N N 15 117.909 0.1 . 1 . . . . . . . . 5019 1 185 . 1 1 38 38 ASP H H 1 8.601 0.02 . 1 . . . . . . . . 5019 1 186 . 1 1 38 38 ASP CA C 13 57.507 0.2 . 1 . . . . . . . . 5019 1 187 . 1 1 38 38 ASP CB C 13 40.549 0.2 . 1 . . . . . . . . 5019 1 188 . 1 1 38 38 ASP C C 13 178.104 0.2 . 1 . . . . . . . . 5019 1 189 . 1 1 39 39 SER N N 15 112.428 0.1 . 1 . . . . . . . . 5019 1 190 . 1 1 39 39 SER H H 1 8.017 0.02 . 1 . . . . . . . . 5019 1 191 . 1 1 39 39 SER CA C 13 60.065 0.2 . 1 . . . . . . . . 5019 1 192 . 1 1 39 39 SER CB C 13 63.066 0.2 . 1 . . . . . . . . 5019 1 193 . 1 1 39 39 SER C C 13 174.397 0.2 . 1 . . . . . . . . 5019 1 194 . 1 1 40 40 ILE N N 15 121.453 0.1 . 1 . . . . . . . . 5019 1 195 . 1 1 40 40 ILE H H 1 7.657 0.02 . 1 . . . . . . . . 5019 1 196 . 1 1 40 40 ILE CA C 13 65.033 0.2 . 1 . . . . . . . . 5019 1 197 . 1 1 40 40 ILE CB C 13 37.292 0.2 . 1 . . . . . . . . 5019 1 198 . 1 1 40 40 ILE C C 13 176.534 0.2 . 1 . . . . . . . . 5019 1 199 . 1 1 41 41 THR N N 15 120.640 0.1 . 1 . . . . . . . . 5019 1 200 . 1 1 41 41 THR H H 1 7.870 0.02 . 1 . . . . . . . . 5019 1 201 . 1 1 41 41 THR CA C 13 68.126 0.2 . 1 . . . . . . . . 5019 1 202 . 1 1 41 41 THR CB C 13 66.007 0.2 . 1 . . . . . . . . 5019 1 203 . 1 1 41 41 THR C C 13 174.661 0.2 . 1 . . . . . . . . 5019 1 204 . 1 1 42 42 PRO CA C 13 64.980 0.2 . 1 . . . . . . . . 5019 1 205 . 1 1 42 42 PRO CB C 13 30.598 0.2 . 1 . . . . . . . . 5019 1 206 . 1 1 42 42 PRO C C 13 177.941 0.2 . 1 . . . . . . . . 5019 1 207 . 1 1 43 43 LEU N N 15 115.657 0.1 . 1 . . . . . . . . 5019 1 208 . 1 1 43 43 LEU H H 1 6.838 0.02 . 1 . . . . . . . . 5019 1 209 . 1 1 43 43 LEU CA C 13 57.986 0.2 . 1 . . . . . . . . 5019 1 210 . 1 1 43 43 LEU HA H 1 4.358 0.02 . 1 . . . . . . . . 5019 1 211 . 1 1 43 43 LEU CB C 13 43.533 0.2 . 1 . . . . . . . . 5019 1 212 . 1 1 43 43 LEU C C 13 177.729 0.2 . 1 . . . . . . . . 5019 1 213 . 1 1 44 44 LEU N N 15 113.964 0.1 . 1 . . . . . . . . 5019 1 214 . 1 1 44 44 LEU H H 1 8.145 0.02 . 1 . . . . . . . . 5019 1 215 . 1 1 44 44 LEU CA C 13 53.932 0.2 . 1 . . . . . . . . 5019 1 216 . 1 1 44 44 LEU HA H 1 4.700 0.02 . 1 . . . . . . . . 5019 1 217 . 1 1 44 44 LEU CB C 13 47.423 0.2 . 1 . . . . . . . . 5019 1 218 . 1 1 44 44 LEU C C 13 176.805 0.2 . 1 . . . . . . . . 5019 1 219 . 1 1 45 45 GLY N N 15 108.446 0.1 . 1 . . . . . . . . 5019 1 220 . 1 1 45 45 GLY H H 1 8.462 0.02 . 1 . . . . . . . . 5019 1 221 . 1 1 45 45 GLY CA C 13 46.070 0.2 . 1 . . . . . . . . 5019 1 222 . 1 1 45 45 GLY C C 13 173.573 0.2 . 1 . . . . . . . . 5019 1 223 . 1 1 46 46 HIS N N 15 114.596 0.1 . 1 . . . . . . . . 5019 1 224 . 1 1 46 46 HIS H H 1 6.056 0.02 . 1 . . . . . . . . 5019 1 225 . 1 1 46 46 HIS CA C 13 54.653 0.2 . 1 . . . . . . . . 5019 1 226 . 1 1 46 46 HIS HA H 1 4.710 0.02 . 1 . . . . . . . . 5019 1 227 . 1 1 46 46 HIS CB C 13 34.257 0.2 . 1 . . . . . . . . 5019 1 228 . 1 1 46 46 HIS C C 13 176.093 0.2 . 1 . . . . . . . . 5019 1 229 . 1 1 47 47 LEU N N 15 124.519 0.1 . 1 . . . . . . . . 5019 1 230 . 1 1 47 47 LEU H H 1 9.530 0.02 . 1 . . . . . . . . 5019 1 231 . 1 1 47 47 LEU CA C 13 52.795 0.2 . 1 . . . . . . . . 5019 1 232 . 1 1 47 47 LEU HA H 1 4.561 0.02 . 1 . . . . . . . . 5019 1 233 . 1 1 47 47 LEU CB C 13 40.453 0.2 . 1 . . . . . . . . 5019 1 234 . 1 1 47 47 LEU C C 13 176.840 0.2 . 1 . . . . . . . . 5019 1 235 . 1 1 48 48 PRO CA C 13 66.283 0.2 . 1 . . . . . . . . 5019 1 236 . 1 1 48 48 PRO CB C 13 32.058 0.2 . 1 . . . . . . . . 5019 1 237 . 1 1 48 48 PRO C C 13 177.877 0.2 . 1 . . . . . . . . 5019 1 238 . 1 1 49 49 ALA N N 15 116.032 0.1 . 1 . . . . . . . . 5019 1 239 . 1 1 49 49 ALA H H 1 8.264 0.02 . 1 . . . . . . . . 5019 1 240 . 1 1 49 49 ALA CA C 13 54.605 0.2 . 1 . . . . . . . . 5019 1 241 . 1 1 49 49 ALA CB C 13 18.852 0.2 . 1 . . . . . . . . 5019 1 242 . 1 1 49 49 ALA C C 13 178.547 0.2 . 1 . . . . . . . . 5019 1 243 . 1 1 50 50 ASP N N 15 114.585 0.1 . 1 . . . . . . . . 5019 1 244 . 1 1 50 50 ASP H H 1 7.534 0.02 . 1 . . . . . . . . 5019 1 245 . 1 1 50 50 ASP CA C 13 55.755 0.2 . 1 . . . . . . . . 5019 1 246 . 1 1 50 50 ASP HA H 1 4.679 0.02 . 1 . . . . . . . . 5019 1 247 . 1 1 50 50 ASP CB C 13 41.554 0.2 . 1 . . . . . . . . 5019 1 248 . 1 1 50 50 ASP C C 13 176.304 0.2 . 1 . . . . . . . . 5019 1 249 . 1 1 51 51 VAL N N 15 114.363 0.1 . 1 . . . . . . . . 5019 1 250 . 1 1 51 51 VAL H H 1 7.160 0.02 . 1 . . . . . . . . 5019 1 251 . 1 1 51 51 VAL CA C 13 62.500 0.2 . 1 . . . . . . . . 5019 1 252 . 1 1 51 51 VAL HA H 1 4.089 0.02 . 1 . . . . . . . . 5019 1 253 . 1 1 51 51 VAL CB C 13 32.948 0.2 . 1 . . . . . . . . 5019 1 254 . 1 1 51 51 VAL C C 13 175.321 0.2 . 1 . . . . . . . . 5019 1 255 . 1 1 52 52 MET N N 15 117.952 0.1 . 1 . . . . . . . . 5019 1 256 . 1 1 52 52 MET H H 1 7.517 0.02 . 1 . . . . . . . . 5019 1 257 . 1 1 52 52 MET CA C 13 57.886 0.2 . 1 . . . . . . . . 5019 1 258 . 1 1 52 52 MET CB C 13 33.070 0.2 . 1 . . . . . . . . 5019 1 259 . 1 1 52 52 MET C C 13 176.204 0.2 . 1 . . . . . . . . 5019 1 260 . 1 1 53 53 ASP N N 15 116.027 0.1 . 1 . . . . . . . . 5019 1 261 . 1 1 53 53 ASP H H 1 9.035 0.02 . 1 . . . . . . . . 5019 1 262 . 1 1 53 53 ASP CA C 13 56.925 0.2 . 1 . . . . . . . . 5019 1 263 . 1 1 53 53 ASP HA H 1 4.340 0.02 . 1 . . . . . . . . 5019 1 264 . 1 1 53 53 ASP CB C 13 39.891 0.2 . 1 . . . . . . . . 5019 1 265 . 1 1 53 53 ASP C C 13 175.952 0.2 . 1 . . . . . . . . 5019 1 266 . 1 1 54 54 GLN N N 15 116.934 0.1 . 1 . . . . . . . . 5019 1 267 . 1 1 54 54 GLN H H 1 7.767 0.02 . 1 . . . . . . . . 5019 1 268 . 1 1 54 54 GLN CA C 13 54.498 0.2 . 1 . . . . . . . . 5019 1 269 . 1 1 54 54 GLN HA H 1 4.625 0.02 . 1 . . . . . . . . 5019 1 270 . 1 1 54 54 GLN CB C 13 30.298 0.2 . 1 . . . . . . . . 5019 1 271 . 1 1 54 54 GLN CG C 13 33.980 0.2 . 1 . . . . . . . . 5019 1 272 . 1 1 54 54 GLN CD C 13 181.100 0.2 . 1 . . . . . . . . 5019 1 273 . 1 1 54 54 GLN NE2 N 15 113.340 0.1 . 1 . . . . . . . . 5019 1 274 . 1 1 54 54 GLN HE21 H 1 7.569 0.02 . 2 . . . . . . . . 5019 1 275 . 1 1 54 54 GLN HE22 H 1 6.736 0.02 . 2 . . . . . . . . 5019 1 276 . 1 1 54 54 GLN C C 13 174.143 0.2 . 1 . . . . . . . . 5019 1 277 . 1 1 55 55 ASN N N 15 119.612 0.1 . 1 . . . . . . . . 5019 1 278 . 1 1 55 55 ASN H H 1 8.270 0.02 . 1 . . . . . . . . 5019 1 279 . 1 1 55 55 ASN CA C 13 53.509 0.2 . 1 . . . . . . . . 5019 1 280 . 1 1 55 55 ASN HA H 1 4.910 0.02 . 1 . . . . . . . . 5019 1 281 . 1 1 55 55 ASN CB C 13 41.174 0.2 . 1 . . . . . . . . 5019 1 282 . 1 1 55 55 ASN CG C 13 176.430 0.2 . 1 . . . . . . . . 5019 1 283 . 1 1 55 55 ASN ND2 N 15 111.631 0.1 . 1 . . . . . . . . 5019 1 284 . 1 1 55 55 ASN HD21 H 1 7.547 0.02 . 2 . . . . . . . . 5019 1 285 . 1 1 55 55 ASN HD22 H 1 7.027 0.02 . 2 . . . . . . . . 5019 1 286 . 1 1 55 55 ASN C C 13 176.748 0.2 . 1 . . . . . . . . 5019 1 287 . 1 1 56 56 LEU N N 15 128.490 0.1 . 1 . . . . . . . . 5019 1 288 . 1 1 56 56 LEU H H 1 9.572 0.02 . 1 . . . . . . . . 5019 1 289 . 1 1 56 56 LEU CA C 13 58.311 0.2 . 1 . . . . . . . . 5019 1 290 . 1 1 56 56 LEU CB C 13 43.393 0.2 . 1 . . . . . . . . 5019 1 291 . 1 1 56 56 LEU C C 13 177.691 0.2 . 1 . . . . . . . . 5019 1 292 . 1 1 57 57 LEU N N 15 115.137 0.1 . 1 . . . . . . . . 5019 1 293 . 1 1 57 57 LEU H H 1 8.885 0.02 . 1 . . . . . . . . 5019 1 294 . 1 1 57 57 LEU CA C 13 58.212 0.2 . 1 . . . . . . . . 5019 1 295 . 1 1 57 57 LEU CB C 13 39.165 0.2 . 1 . . . . . . . . 5019 1 296 . 1 1 57 57 LEU C C 13 178.442 0.2 . 1 . . . . . . . . 5019 1 297 . 1 1 58 58 ASN N N 15 115.357 0.1 . 1 . . . . . . . . 5019 1 298 . 1 1 58 58 ASN H H 1 7.892 0.02 . 1 . . . . . . . . 5019 1 299 . 1 1 58 58 ASN CA C 13 55.065 0.2 . 1 . . . . . . . . 5019 1 300 . 1 1 58 58 ASN HA H 1 4.464 0.02 . 1 . . . . . . . . 5019 1 301 . 1 1 58 58 ASN CB C 13 37.592 0.2 . 1 . . . . . . . . 5019 1 302 . 1 1 58 58 ASN CG C 13 176.852 0.2 . 1 . . . . . . . . 5019 1 303 . 1 1 58 58 ASN ND2 N 15 110.940 0.1 . 1 . . . . . . . . 5019 1 304 . 1 1 58 58 ASN HD21 H 1 7.426 0.02 . 2 . . . . . . . . 5019 1 305 . 1 1 58 58 ASN HD22 H 1 6.918 0.02 . 2 . . . . . . . . 5019 1 306 . 1 1 58 58 ASN C C 13 176.165 0.2 . 1 . . . . . . . . 5019 1 307 . 1 1 59 59 PHE N N 15 116.603 0.1 . 1 . . . . . . . . 5019 1 308 . 1 1 59 59 PHE H H 1 8.301 0.02 . 1 . . . . . . . . 5019 1 309 . 1 1 59 59 PHE CA C 13 57.718 0.2 . 1 . . . . . . . . 5019 1 310 . 1 1 59 59 PHE HA H 1 4.678 0.02 . 1 . . . . . . . . 5019 1 311 . 1 1 59 59 PHE CB C 13 40.064 0.2 . 1 . . . . . . . . 5019 1 312 . 1 1 59 59 PHE C C 13 173.571 0.2 . 1 . . . . . . . . 5019 1 313 . 1 1 60 60 LEU N N 15 120.782 0.1 . 1 . . . . . . . . 5019 1 314 . 1 1 60 60 LEU H H 1 7.465 0.02 . 1 . . . . . . . . 5019 1 315 . 1 1 60 60 LEU CA C 13 52.744 0.2 . 1 . . . . . . . . 5019 1 316 . 1 1 60 60 LEU HA H 1 5.831 0.02 . 1 . . . . . . . . 5019 1 317 . 1 1 60 60 LEU CB C 13 45.542 0.2 . 1 . . . . . . . . 5019 1 318 . 1 1 60 60 LEU C C 13 176.401 0.2 . 1 . . . . . . . . 5019 1 319 . 1 1 61 61 PRO CA C 13 62.651 0.2 . 1 . . . . . . . . 5019 1 320 . 1 1 61 61 PRO CB C 13 31.678 0.2 . 1 . . . . . . . . 5019 1 321 . 1 1 61 61 PRO C C 13 178.000 0.2 . 1 . . . . . . . . 5019 1 322 . 1 1 62 62 GLU N N 15 122.908 0.1 . 1 . . . . . . . . 5019 1 323 . 1 1 62 62 GLU H H 1 8.634 0.02 . 1 . . . . . . . . 5019 1 324 . 1 1 62 62 GLU CA C 13 59.461 0.2 . 1 . . . . . . . . 5019 1 325 . 1 1 62 62 GLU CB C 13 29.500 0.2 . 1 . . . . . . . . 5019 1 326 . 1 1 62 62 GLU C C 13 178.439 0.2 . 1 . . . . . . . . 5019 1 327 . 1 1 63 63 GLN N N 15 116.271 0.1 . 1 . . . . . . . . 5019 1 328 . 1 1 63 63 GLN H H 1 8.854 0.02 . 1 . . . . . . . . 5019 1 329 . 1 1 63 63 GLN CA C 13 58.478 0.2 . 1 . . . . . . . . 5019 1 330 . 1 1 63 63 GLN CB C 13 27.752 0.2 . 1 . . . . . . . . 5019 1 331 . 1 1 63 63 GLN CG C 13 33.700 0.2 . 1 . . . . . . . . 5019 1 332 . 1 1 63 63 GLN CD C 13 180.610 0.2 . 1 . . . . . . . . 5019 1 333 . 1 1 63 63 GLN NE2 N 15 112.120 0.1 . 1 . . . . . . . . 5019 1 334 . 1 1 63 63 GLN HE21 H 1 7.610 0.02 . 2 . . . . . . . . 5019 1 335 . 1 1 63 63 GLN HE22 H 1 6.798 0.02 . 2 . . . . . . . . 5019 1 336 . 1 1 63 63 GLN C C 13 177.093 0.2 . 1 . . . . . . . . 5019 1 337 . 1 1 64 64 GLU N N 15 117.777 0.1 . 1 . . . . . . . . 5019 1 338 . 1 1 64 64 GLU H H 1 8.003 0.02 . 1 . . . . . . . . 5019 1 339 . 1 1 64 64 GLU CA C 13 56.467 0.2 . 1 . . . . . . . . 5019 1 340 . 1 1 64 64 GLU HA H 1 4.613 0.02 . 1 . . . . . . . . 5019 1 341 . 1 1 64 64 GLU CB C 13 31.238 0.2 . 1 . . . . . . . . 5019 1 342 . 1 1 64 64 GLU C C 13 176.696 0.2 . 1 . . . . . . . . 5019 1 343 . 1 1 65 65 HIS N N 15 118.711 0.1 . 1 . . . . . . . . 5019 1 344 . 1 1 65 65 HIS H H 1 7.650 0.02 . 1 . . . . . . . . 5019 1 345 . 1 1 65 65 HIS CA C 13 59.476 0.2 . 1 . . . . . . . . 5019 1 346 . 1 1 65 65 HIS HA H 1 4.613 0.02 . 1 . . . . . . . . 5019 1 347 . 1 1 65 65 HIS CB C 13 31.786 0.2 . 1 . . . . . . . . 5019 1 348 . 1 1 65 65 HIS C C 13 177.386 0.2 . 1 . . . . . . . . 5019 1 349 . 1 1 66 66 SER N N 15 112.583 0.1 . 1 . . . . . . . . 5019 1 350 . 1 1 66 66 SER H H 1 8.809 0.02 . 1 . . . . . . . . 5019 1 351 . 1 1 66 66 SER CA C 13 62.329 0.2 . 1 . . . . . . . . 5019 1 352 . 1 1 66 66 SER C C 13 177.424 0.2 . 1 . . . . . . . . 5019 1 353 . 1 1 67 67 GLU N N 15 121.178 0.1 . 1 . . . . . . . . 5019 1 354 . 1 1 67 67 GLU H H 1 8.141 0.02 . 1 . . . . . . . . 5019 1 355 . 1 1 67 67 GLU CA C 13 59.094 0.2 . 1 . . . . . . . . 5019 1 356 . 1 1 67 67 GLU CB C 13 29.563 0.2 . 1 . . . . . . . . 5019 1 357 . 1 1 67 67 GLU C C 13 178.603 0.2 . 1 . . . . . . . . 5019 1 358 . 1 1 68 68 VAL N N 15 118.874 0.1 . 1 . . . . . . . . 5019 1 359 . 1 1 68 68 VAL H H 1 7.573 0.02 . 1 . . . . . . . . 5019 1 360 . 1 1 68 68 VAL CA C 13 66.642 0.2 . 1 . . . . . . . . 5019 1 361 . 1 1 68 68 VAL CB C 13 31.289 0.2 . 1 . . . . . . . . 5019 1 362 . 1 1 68 68 VAL C C 13 177.416 0.2 . 1 . . . . . . . . 5019 1 363 . 1 1 69 69 TYR N N 15 119.741 0.1 . 1 . . . . . . . . 5019 1 364 . 1 1 69 69 TYR H H 1 8.614 0.02 . 1 . . . . . . . . 5019 1 365 . 1 1 69 69 TYR CA C 13 62.224 0.2 . 1 . . . . . . . . 5019 1 366 . 1 1 69 69 TYR CB C 13 38.130 0.2 . 1 . . . . . . . . 5019 1 367 . 1 1 69 69 TYR C C 13 178.891 0.2 . 1 . . . . . . . . 5019 1 368 . 1 1 70 70 LYS N N 15 119.577 0.1 . 1 . . . . . . . . 5019 1 369 . 1 1 70 70 LYS H H 1 7.878 0.02 . 1 . . . . . . . . 5019 1 370 . 1 1 70 70 LYS CA C 13 59.783 0.2 . 1 . . . . . . . . 5019 1 371 . 1 1 70 70 LYS HA H 1 3.775 0.02 . 1 . . . . . . . . 5019 1 372 . 1 1 70 70 LYS CB C 13 32.144 0.2 . 1 . . . . . . . . 5019 1 373 . 1 1 70 70 LYS C C 13 178.980 0.2 . 1 . . . . . . . . 5019 1 374 . 1 1 71 71 ILE N N 15 120.396 0.1 . 1 . . . . . . . . 5019 1 375 . 1 1 71 71 ILE H H 1 7.406 0.02 . 1 . . . . . . . . 5019 1 376 . 1 1 71 71 ILE CA C 13 65.030 0.2 . 1 . . . . . . . . 5019 1 377 . 1 1 71 71 ILE HA H 1 3.532 0.02 . 1 . . . . . . . . 5019 1 378 . 1 1 71 71 ILE CB C 13 37.728 0.2 . 1 . . . . . . . . 5019 1 379 . 1 1 71 71 ILE C C 13 178.930 0.2 . 1 . . . . . . . . 5019 1 380 . 1 1 72 72 LEU N N 15 118.219 0.1 . 1 . . . . . . . . 5019 1 381 . 1 1 72 72 LEU H H 1 7.731 0.02 . 1 . . . . . . . . 5019 1 382 . 1 1 72 72 LEU CA C 13 57.685 0.2 . 1 . . . . . . . . 5019 1 383 . 1 1 72 72 LEU CB C 13 41.740 0.2 . 1 . . . . . . . . 5019 1 384 . 1 1 72 72 LEU C C 13 176.867 0.2 . 1 . . . . . . . . 5019 1 385 . 1 1 73 73 SER N N 15 108.195 0.1 . 1 . . . . . . . . 5019 1 386 . 1 1 73 73 SER H H 1 7.566 0.02 . 1 . . . . . . . . 5019 1 387 . 1 1 73 73 SER CA C 13 59.265 0.2 . 1 . . . . . . . . 5019 1 388 . 1 1 73 73 SER HA H 1 4.412 0.02 . 1 . . . . . . . . 5019 1 389 . 1 1 73 73 SER CB C 13 63.998 0.2 . 1 . . . . . . . . 5019 1 390 . 1 1 73 73 SER C C 13 176.465 0.2 . 1 . . . . . . . . 5019 1 391 . 1 1 74 74 SER N N 15 117.070 0.1 . 1 . . . . . . . . 5019 1 392 . 1 1 74 74 SER H H 1 7.570 0.02 . 1 . . . . . . . . 5019 1 393 . 1 1 74 74 SER CA C 13 60.050 0.2 . 1 . . . . . . . . 5019 1 394 . 1 1 74 74 SER HA H 1 4.274 0.02 . 1 . . . . . . . . 5019 1 395 . 1 1 74 74 SER CB C 13 63.522 0.2 . 1 . . . . . . . . 5019 1 396 . 1 1 74 74 SER C C 13 174.475 0.2 . 1 . . . . . . . . 5019 1 397 . 1 1 75 75 HIS N N 15 120.468 0.1 . 1 . . . . . . . . 5019 1 398 . 1 1 75 75 HIS H H 1 7.240 0.02 . 1 . . . . . . . . 5019 1 399 . 1 1 75 75 HIS CA C 13 57.065 0.2 . 1 . . . . . . . . 5019 1 400 . 1 1 75 75 HIS HA H 1 3.985 0.02 . 1 . . . . . . . . 5019 1 401 . 1 1 75 75 HIS CB C 13 29.531 0.2 . 1 . . . . . . . . 5019 1 402 . 1 1 75 75 HIS C C 13 174.989 0.2 . 1 . . . . . . . . 5019 1 403 . 1 1 76 76 MET N N 15 118.989 0.1 . 1 . . . . . . . . 5019 1 404 . 1 1 76 76 MET H H 1 7.556 0.02 . 1 . . . . . . . . 5019 1 405 . 1 1 76 76 MET CA C 13 55.853 0.2 . 1 . . . . . . . . 5019 1 406 . 1 1 76 76 MET CB C 13 32.889 0.2 . 1 . . . . . . . . 5019 1 407 . 1 1 76 76 MET C C 13 175.770 0.2 . 1 . . . . . . . . 5019 1 408 . 1 1 77 77 LEU CA C 13 55.333 0.2 . 1 . . . . . . . . 5019 1 409 . 1 1 77 77 LEU CB C 13 42.312 0.2 . 1 . . . . . . . . 5019 1 410 . 1 1 77 77 LEU C C 13 177.216 0.2 . 1 . . . . . . . . 5019 1 411 . 1 1 78 78 VAL N N 15 120.512 0.1 . 1 . . . . . . . . 5019 1 412 . 1 1 78 78 VAL H H 1 7.974 0.02 . 1 . . . . . . . . 5019 1 413 . 1 1 78 78 VAL CA C 13 62.380 0.2 . 1 . . . . . . . . 5019 1 414 . 1 1 78 78 VAL HA H 1 4.208 0.02 . 1 . . . . . . . . 5019 1 415 . 1 1 78 78 VAL CB C 13 32.762 0.2 . 1 . . . . . . . . 5019 1 416 . 1 1 78 78 VAL C C 13 176.412 0.2 . 1 . . . . . . . . 5019 1 417 . 1 1 79 79 THR N N 15 116.650 0.1 . 1 . . . . . . . . 5019 1 418 . 1 1 79 79 THR H H 1 8.108 0.02 . 1 . . . . . . . . 5019 1 419 . 1 1 79 79 THR CA C 13 61.773 0.2 . 1 . . . . . . . . 5019 1 420 . 1 1 79 79 THR CB C 13 69.866 0.2 . 1 . . . . . . . . 5019 1 421 . 1 1 79 79 THR C C 13 174.186 0.2 . 1 . . . . . . . . 5019 1 422 . 1 1 80 80 ASP N N 15 121.737 0.1 . 1 . . . . . . . . 5019 1 423 . 1 1 80 80 ASP H H 1 8.238 0.02 . 1 . . . . . . . . 5019 1 424 . 1 1 80 80 ASP CA C 13 54.434 0.2 . 1 . . . . . . . . 5019 1 425 . 1 1 80 80 ASP CB C 13 41.089 0.2 . 1 . . . . . . . . 5019 1 426 . 1 1 80 80 ASP C C 13 175.828 0.2 . 1 . . . . . . . . 5019 1 427 . 1 1 81 81 SER N N 15 116.080 0.1 . 1 . . . . . . . . 5019 1 428 . 1 1 81 81 SER H H 1 7.985 0.02 . 1 . . . . . . . . 5019 1 429 . 1 1 81 81 SER CA C 13 56.292 0.2 . 1 . . . . . . . . 5019 1 430 . 1 1 81 81 SER CB C 13 63.904 0.2 . 1 . . . . . . . . 5019 1 431 . 1 1 81 81 SER C C 13 172.848 0.2 . 1 . . . . . . . . 5019 1 432 . 1 1 84 84 PRO CA C 13 63.898 0.2 . 1 . . . . . . . . 5019 1 433 . 1 1 84 84 PRO CB C 13 32.133 0.2 . 1 . . . . . . . . 5019 1 434 . 1 1 84 84 PRO C C 13 177.199 0.2 . 1 . . . . . . . . 5019 1 435 . 1 1 85 85 GLU N N 15 119.231 0.1 . 1 . . . . . . . . 5019 1 436 . 1 1 85 85 GLU H H 1 8.409 0.02 . 1 . . . . . . . . 5019 1 437 . 1 1 85 85 GLU CA C 13 57.202 0.2 . 1 . . . . . . . . 5019 1 438 . 1 1 85 85 GLU HA H 1 4.202 0.02 . 1 . . . . . . . . 5019 1 439 . 1 1 85 85 GLU CB C 13 30.177 0.2 . 1 . . . . . . . . 5019 1 440 . 1 1 85 85 GLU C C 13 176.355 0.2 . 1 . . . . . . . . 5019 1 441 . 1 1 86 86 PHE N N 15 119.713 0.1 . 1 . . . . . . . . 5019 1 442 . 1 1 86 86 PHE H H 1 7.947 0.02 . 1 . . . . . . . . 5019 1 443 . 1 1 86 86 PHE CA C 13 57.847 0.2 . 1 . . . . . . . . 5019 1 444 . 1 1 86 86 PHE HA H 1 4.637 0.02 . 1 . . . . . . . . 5019 1 445 . 1 1 86 86 PHE CB C 13 39.610 0.2 . 1 . . . . . . . . 5019 1 446 . 1 1 86 86 PHE C C 13 175.431 0.2 . 1 . . . . . . . . 5019 1 447 . 1 1 87 87 LEU N N 15 123.245 0.1 . 1 . . . . . . . . 5019 1 448 . 1 1 87 87 LEU H H 1 7.985 0.02 . 1 . . . . . . . . 5019 1 449 . 1 1 87 87 LEU CA C 13 55.408 0.2 . 1 . . . . . . . . 5019 1 450 . 1 1 87 87 LEU HA H 1 4.348 0.02 . 1 . . . . . . . . 5019 1 451 . 1 1 87 87 LEU CB C 13 42.692 0.2 . 1 . . . . . . . . 5019 1 452 . 1 1 87 87 LEU C C 13 176.633 0.2 . 1 . . . . . . . . 5019 1 453 . 1 1 88 88 LYS N N 15 122.062 0.1 . 1 . . . . . . . . 5019 1 454 . 1 1 88 88 LYS H H 1 8.126 0.02 . 1 . . . . . . . . 5019 1 455 . 1 1 88 88 LYS CA C 13 56.237 0.2 . 1 . . . . . . . . 5019 1 456 . 1 1 88 88 LYS CB C 13 33.462 0.2 . 1 . . . . . . . . 5019 1 457 . 1 1 88 88 LYS C C 13 176.501 0.2 . 1 . . . . . . . . 5019 1 458 . 1 1 89 89 SER N N 15 117.488 0.1 . 1 . . . . . . . . 5019 1 459 . 1 1 89 89 SER H H 1 8.416 0.02 . 1 . . . . . . . . 5019 1 460 . 1 1 89 89 SER CA C 13 58.334 0.2 . 1 . . . . . . . . 5019 1 461 . 1 1 89 89 SER CB C 13 64.254 0.2 . 1 . . . . . . . . 5019 1 462 . 1 1 89 89 SER C C 13 174.411 0.2 . 1 . . . . . . . . 5019 1 463 . 1 1 90 90 ASP N N 15 122.345 0.1 . 1 . . . . . . . . 5019 1 464 . 1 1 90 90 ASP H H 1 8.454 0.02 . 1 . . . . . . . . 5019 1 465 . 1 1 90 90 ASP CA C 13 54.789 0.2 . 1 . . . . . . . . 5019 1 466 . 1 1 90 90 ASP CB C 13 41.266 0.2 . 1 . . . . . . . . 5019 1 467 . 1 1 90 90 ASP C C 13 175.840 0.2 . 1 . . . . . . . . 5019 1 468 . 1 1 91 91 ASN N N 15 117.719 0.1 . 1 . . . . . . . . 5019 1 469 . 1 1 91 91 ASN H H 1 8.204 0.02 . 1 . . . . . . . . 5019 1 470 . 1 1 91 91 ASN CA C 13 53.014 0.2 . 1 . . . . . . . . 5019 1 471 . 1 1 91 91 ASN HA H 1 4.913 0.02 . 1 . . . . . . . . 5019 1 472 . 1 1 91 91 ASN CB C 13 40.215 0.2 . 1 . . . . . . . . 5019 1 473 . 1 1 91 91 ASN CG C 13 176.874 0.2 . 1 . . . . . . . . 5019 1 474 . 1 1 91 91 ASN ND2 N 15 113.680 0.1 . 1 . . . . . . . . 5019 1 475 . 1 1 91 91 ASN HD21 H 1 7.600 0.02 . 2 . . . . . . . . 5019 1 476 . 1 1 91 91 ASN HD22 H 1 6.953 0.02 . 2 . . . . . . . . 5019 1 477 . 1 1 91 91 ASN C C 13 174.642 0.2 . 1 . . . . . . . . 5019 1 478 . 1 1 92 92 ASP N N 15 121.082 0.1 . 1 . . . . . . . . 5019 1 479 . 1 1 92 92 ASP H H 1 8.380 0.02 . 1 . . . . . . . . 5019 1 480 . 1 1 92 92 ASP CA C 13 55.429 0.2 . 1 . . . . . . . . 5019 1 481 . 1 1 92 92 ASP HA H 1 4.735 0.02 . 1 . . . . . . . . 5019 1 482 . 1 1 92 92 ASP CB C 13 41.565 0.2 . 1 . . . . . . . . 5019 1 483 . 1 1 92 92 ASP C C 13 176.037 0.2 . 1 . . . . . . . . 5019 1 484 . 1 1 93 93 LEU N N 15 122.496 0.1 . 1 . . . . . . . . 5019 1 485 . 1 1 93 93 LEU H H 1 8.898 0.02 . 1 . . . . . . . . 5019 1 486 . 1 1 93 93 LEU CA C 13 55.163 0.2 . 1 . . . . . . . . 5019 1 487 . 1 1 93 93 LEU HA H 1 4.685 0.02 . 1 . . . . . . . . 5019 1 488 . 1 1 93 93 LEU CB C 13 44.413 0.2 . 1 . . . . . . . . 5019 1 489 . 1 1 93 93 LEU C C 13 175.034 0.2 . 1 . . . . . . . . 5019 1 490 . 1 1 94 94 GLU N N 15 120.790 0.1 . 1 . . . . . . . . 5019 1 491 . 1 1 94 94 GLU H H 1 8.244 0.02 . 1 . . . . . . . . 5019 1 492 . 1 1 94 94 GLU CA C 13 53.763 0.2 . 1 . . . . . . . . 5019 1 493 . 1 1 94 94 GLU HA H 1 5.659 0.02 . 1 . . . . . . . . 5019 1 494 . 1 1 94 94 GLU CB C 13 33.626 0.2 . 1 . . . . . . . . 5019 1 495 . 1 1 94 94 GLU C C 13 175.882 0.2 . 1 . . . . . . . . 5019 1 496 . 1 1 95 95 PHE N N 15 117.830 0.1 . 1 . . . . . . . . 5019 1 497 . 1 1 95 95 PHE H H 1 8.408 0.02 . 1 . . . . . . . . 5019 1 498 . 1 1 95 95 PHE CA C 13 56.923 0.2 . 1 . . . . . . . . 5019 1 499 . 1 1 95 95 PHE HA H 1 4.906 0.02 . 1 . . . . . . . . 5019 1 500 . 1 1 95 95 PHE CB C 13 40.353 0.2 . 1 . . . . . . . . 5019 1 501 . 1 1 95 95 PHE C C 13 171.467 0.2 . 1 . . . . . . . . 5019 1 502 . 1 1 96 96 TYR N N 15 119.229 0.1 . 1 . . . . . . . . 5019 1 503 . 1 1 96 96 TYR H H 1 8.775 0.02 . 1 . . . . . . . . 5019 1 504 . 1 1 96 96 TYR CA C 13 56.298 0.2 . 1 . . . . . . . . 5019 1 505 . 1 1 96 96 TYR HA H 1 5.513 0.02 . 1 . . . . . . . . 5019 1 506 . 1 1 96 96 TYR CB C 13 41.364 0.2 . 1 . . . . . . . . 5019 1 507 . 1 1 96 96 TYR C C 13 176.246 0.2 . 1 . . . . . . . . 5019 1 508 . 1 1 97 97 CYS N N 15 115.053 0.1 . 1 . . . . . . . . 5019 1 509 . 1 1 97 97 CYS H H 1 8.871 0.02 . 1 . . . . . . . . 5019 1 510 . 1 1 97 97 CYS CA C 13 57.284 0.2 . 1 . . . . . . . . 5019 1 511 . 1 1 97 97 CYS HA H 1 4.940 0.02 . 1 . . . . . . . . 5019 1 512 . 1 1 97 97 CYS CB C 13 29.585 0.2 . 1 . . . . . . . . 5019 1 513 . 1 1 97 97 CYS C C 13 170.951 0.2 . 1 . . . . . . . . 5019 1 514 . 1 1 98 98 HIS N N 15 120.049 0.1 . 1 . . . . . . . . 5019 1 515 . 1 1 98 98 HIS H H 1 11.030 0.02 . 1 . . . . . . . . 5019 1 516 . 1 1 98 98 HIS CA C 13 56.508 0.2 . 1 . . . . . . . . 5019 1 517 . 1 1 98 98 HIS CB C 13 30.521 0.2 . 1 . . . . . . . . 5019 1 518 . 1 1 98 98 HIS C C 13 173.390 0.2 . 1 . . . . . . . . 5019 1 519 . 1 1 99 99 LEU N N 15 118.586 0.1 . 1 . . . . . . . . 5019 1 520 . 1 1 99 99 LEU H H 1 8.884 0.02 . 1 . . . . . . . . 5019 1 521 . 1 1 99 99 LEU CA C 13 53.163 0.2 . 1 . . . . . . . . 5019 1 522 . 1 1 99 99 LEU HA H 1 5.693 0.02 . 1 . . . . . . . . 5019 1 523 . 1 1 99 99 LEU CB C 13 46.994 0.2 . 1 . . . . . . . . 5019 1 524 . 1 1 99 99 LEU C C 13 177.091 0.2 . 1 . . . . . . . . 5019 1 525 . 1 1 100 100 LEU N N 15 127.058 0.1 . 1 . . . . . . . . 5019 1 526 . 1 1 100 100 LEU H H 1 9.433 0.02 . 1 . . . . . . . . 5019 1 527 . 1 1 100 100 LEU CA C 13 55.687 0.2 . 1 . . . . . . . . 5019 1 528 . 1 1 100 100 LEU CB C 13 44.944 0.2 . 1 . . . . . . . . 5019 1 529 . 1 1 100 100 LEU C C 13 176.757 0.2 . 1 . . . . . . . . 5019 1 530 . 1 1 101 101 ARG N N 15 124.825 0.1 . 1 . . . . . . . . 5019 1 531 . 1 1 101 101 ARG H H 1 8.561 0.02 . 1 . . . . . . . . 5019 1 532 . 1 1 101 101 ARG CA C 13 56.671 0.2 . 1 . . . . . . . . 5019 1 533 . 1 1 101 101 ARG CB C 13 32.190 0.2 . 1 . . . . . . . . 5019 1 534 . 1 1 101 101 ARG C C 13 177.352 0.2 . 1 . . . . . . . . 5019 1 535 . 1 1 102 102 GLY N N 15 107.211 0.1 . 1 . . . . . . . . 5019 1 536 . 1 1 102 102 GLY H H 1 8.104 0.02 . 1 . . . . . . . . 5019 1 537 . 1 1 102 102 GLY CA C 13 44.664 0.2 . 1 . . . . . . . . 5019 1 538 . 1 1 102 102 GLY C C 13 173.358 0.2 . 1 . . . . . . . . 5019 1 539 . 1 1 103 103 SER N N 15 114.288 0.1 . 1 . . . . . . . . 5019 1 540 . 1 1 103 103 SER H H 1 8.235 0.02 . 1 . . . . . . . . 5019 1 541 . 1 1 103 103 SER CA C 13 57.938 0.2 . 1 . . . . . . . . 5019 1 542 . 1 1 103 103 SER HA H 1 4.381 0.02 . 1 . . . . . . . . 5019 1 543 . 1 1 103 103 SER CB C 13 64.076 0.2 . 1 . . . . . . . . 5019 1 544 . 1 1 103 103 SER C C 13 174.500 0.2 . 1 . . . . . . . . 5019 1 545 . 1 1 104 104 LEU N N 15 123.024 0.1 . 1 . . . . . . . . 5019 1 546 . 1 1 104 104 LEU H H 1 8.380 0.02 . 1 . . . . . . . . 5019 1 547 . 1 1 104 104 LEU CA C 13 55.506 0.2 . 1 . . . . . . . . 5019 1 548 . 1 1 104 104 LEU CB C 13 42.169 0.2 . 1 . . . . . . . . 5019 1 549 . 1 1 104 104 LEU C C 13 177.242 0.2 . 1 . . . . . . . . 5019 1 550 . 1 1 105 105 ASN N N 15 118.111 0.1 . 1 . . . . . . . . 5019 1 551 . 1 1 105 105 ASN H H 1 8.221 0.02 . 1 . . . . . . . . 5019 1 552 . 1 1 105 105 ASN CA C 13 51.031 0.2 . 1 . . . . . . . . 5019 1 553 . 1 1 105 105 ASN HA H 1 4.920 0.02 . 1 . . . . . . . . 5019 1 554 . 1 1 105 105 ASN CB C 13 39.380 0.2 . 1 . . . . . . . . 5019 1 555 . 1 1 105 105 ASN CG C 13 177.370 0.2 . 1 . . . . . . . . 5019 1 556 . 1 1 105 105 ASN ND2 N 15 113.750 0.1 . 1 . . . . . . . . 5019 1 557 . 1 1 105 105 ASN HD21 H 1 7.682 0.02 . 2 . . . . . . . . 5019 1 558 . 1 1 105 105 ASN HD22 H 1 6.962 0.02 . 2 . . . . . . . . 5019 1 559 . 1 1 105 105 ASN C C 13 173.860 0.2 . 1 . . . . . . . . 5019 1 560 . 1 1 106 106 PRO CA C 13 64.187 0.2 . 1 . . . . . . . . 5019 1 561 . 1 1 106 106 PRO CB C 13 32.421 0.2 . 1 . . . . . . . . 5019 1 562 . 1 1 106 106 PRO C C 13 177.228 0.2 . 1 . . . . . . . . 5019 1 563 . 1 1 107 107 LYS N N 15 117.306 0.1 . 1 . . . . . . . . 5019 1 564 . 1 1 107 107 LYS H H 1 8.066 0.02 . 1 . . . . . . . . 5019 1 565 . 1 1 107 107 LYS CA C 13 56.291 0.2 . 1 . . . . . . . . 5019 1 566 . 1 1 107 107 LYS HA H 1 4.221 0.02 . 1 . . . . . . . . 5019 1 567 . 1 1 107 107 LYS CB C 13 32.390 0.2 . 1 . . . . . . . . 5019 1 568 . 1 1 107 107 LYS C C 13 176.802 0.2 . 1 . . . . . . . . 5019 1 569 . 1 1 108 108 GLU N N 15 119.537 0.1 . 1 . . . . . . . . 5019 1 570 . 1 1 108 108 GLU H H 1 7.714 0.02 . 1 . . . . . . . . 5019 1 571 . 1 1 108 108 GLU CA C 13 56.649 0.2 . 1 . . . . . . . . 5019 1 572 . 1 1 108 108 GLU CB C 13 30.901 0.2 . 1 . . . . . . . . 5019 1 573 . 1 1 108 108 GLU C C 13 175.899 0.2 . 1 . . . . . . . . 5019 1 574 . 1 1 109 109 PHE N N 15 121.661 0.1 . 1 . . . . . . . . 5019 1 575 . 1 1 109 109 PHE H H 1 8.126 0.02 . 1 . . . . . . . . 5019 1 576 . 1 1 109 109 PHE CA C 13 55.880 0.2 . 1 . . . . . . . . 5019 1 577 . 1 1 109 109 PHE CB C 13 38.890 0.2 . 1 . . . . . . . . 5019 1 578 . 1 1 109 109 PHE C C 13 173.656 0.2 . 1 . . . . . . . . 5019 1 579 . 1 1 110 110 PRO CA C 13 63.447 0.2 . 1 . . . . . . . . 5019 1 580 . 1 1 110 110 PRO CB C 13 32.505 0.2 . 1 . . . . . . . . 5019 1 581 . 1 1 110 110 PRO C C 13 176.310 0.2 . 1 . . . . . . . . 5019 1 582 . 1 1 111 111 THR N N 15 116.018 0.1 . 1 . . . . . . . . 5019 1 583 . 1 1 111 111 THR H H 1 7.989 0.02 . 1 . . . . . . . . 5019 1 584 . 1 1 111 111 THR CA C 13 61.392 0.2 . 1 . . . . . . . . 5019 1 585 . 1 1 111 111 THR CB C 13 71.537 0.2 . 1 . . . . . . . . 5019 1 586 . 1 1 111 111 THR C C 13 172.271 0.2 . 1 . . . . . . . . 5019 1 587 . 1 1 112 112 TYR N N 15 120.391 0.1 . 1 . . . . . . . . 5019 1 588 . 1 1 112 112 TYR H H 1 8.735 0.02 . 1 . . . . . . . . 5019 1 589 . 1 1 112 112 TYR CA C 13 57.290 0.2 . 1 . . . . . . . . 5019 1 590 . 1 1 112 112 TYR HA H 1 5.234 0.02 . 1 . . . . . . . . 5019 1 591 . 1 1 112 112 TYR CB C 13 42.220 0.2 . 1 . . . . . . . . 5019 1 592 . 1 1 112 112 TYR C C 13 176.224 0.2 . 1 . . . . . . . . 5019 1 593 . 1 1 113 113 GLU N N 15 122.217 0.1 . 1 . . . . . . . . 5019 1 594 . 1 1 113 113 GLU H H 1 9.354 0.02 . 1 . . . . . . . . 5019 1 595 . 1 1 113 113 GLU CA C 13 54.200 0.2 . 1 . . . . . . . . 5019 1 596 . 1 1 113 113 GLU HA H 1 4.965 0.02 . 1 . . . . . . . . 5019 1 597 . 1 1 113 113 GLU CB C 13 32.955 0.2 . 1 . . . . . . . . 5019 1 598 . 1 1 113 113 GLU C C 13 175.300 0.2 . 1 . . . . . . . . 5019 1 599 . 1 1 114 114 TYR N N 15 127.193 0.1 . 1 . . . . . . . . 5019 1 600 . 1 1 114 114 TYR H H 1 9.151 0.02 . 1 . . . . . . . . 5019 1 601 . 1 1 114 114 TYR CA C 13 57.331 0.2 . 1 . . . . . . . . 5019 1 602 . 1 1 114 114 TYR HA H 1 4.880 0.02 . 1 . . . . . . . . 5019 1 603 . 1 1 114 114 TYR CB C 13 38.331 0.2 . 1 . . . . . . . . 5019 1 604 . 1 1 114 114 TYR C C 13 175.294 0.2 . 1 . . . . . . . . 5019 1 605 . 1 1 115 115 ILE N N 15 126.668 0.1 . 1 . . . . . . . . 5019 1 606 . 1 1 115 115 ILE H H 1 9.130 0.02 . 1 . . . . . . . . 5019 1 607 . 1 1 115 115 ILE CA C 13 59.005 0.2 . 1 . . . . . . . . 5019 1 608 . 1 1 115 115 ILE HA H 1 4.792 0.02 . 1 . . . . . . . . 5019 1 609 . 1 1 115 115 ILE CB C 13 42.409 0.2 . 1 . . . . . . . . 5019 1 610 . 1 1 115 115 ILE C C 13 172.374 0.2 . 1 . . . . . . . . 5019 1 611 . 1 1 116 116 LYS N N 15 120.682 0.1 . 1 . . . . . . . . 5019 1 612 . 1 1 116 116 LYS H H 1 8.573 0.02 . 1 . . . . . . . . 5019 1 613 . 1 1 116 116 LYS CA C 13 54.201 0.2 . 1 . . . . . . . . 5019 1 614 . 1 1 116 116 LYS HA H 1 4.420 0.02 . 1 . . . . . . . . 5019 1 615 . 1 1 116 116 LYS CB C 13 36.802 0.2 . 1 . . . . . . . . 5019 1 616 . 1 1 116 116 LYS C C 13 175.814 0.2 . 1 . . . . . . . . 5019 1 617 . 1 1 117 117 PHE N N 15 127.839 0.1 . 1 . . . . . . . . 5019 1 618 . 1 1 117 117 PHE H H 1 8.948 0.02 . 1 . . . . . . . . 5019 1 619 . 1 1 117 117 PHE CA C 13 56.557 0.2 . 1 . . . . . . . . 5019 1 620 . 1 1 117 117 PHE HA H 1 4.464 0.02 . 1 . . . . . . . . 5019 1 621 . 1 1 117 117 PHE CB C 13 42.330 0.2 . 1 . . . . . . . . 5019 1 622 . 1 1 117 117 PHE C C 13 175.526 0.2 . 1 . . . . . . . . 5019 1 623 . 1 1 118 118 VAL N N 15 117.777 0.1 . 1 . . . . . . . . 5019 1 624 . 1 1 118 118 VAL H H 1 7.889 0.02 . 1 . . . . . . . . 5019 1 625 . 1 1 118 118 VAL CA C 13 61.333 0.2 . 1 . . . . . . . . 5019 1 626 . 1 1 118 118 VAL HA H 1 4.954 0.02 . 1 . . . . . . . . 5019 1 627 . 1 1 118 118 VAL CB C 13 34.623 0.2 . 1 . . . . . . . . 5019 1 628 . 1 1 118 118 VAL C C 13 176.704 0.2 . 1 . . . . . . . . 5019 1 629 . 1 1 119 119 GLY N N 15 114.441 0.1 . 1 . . . . . . . . 5019 1 630 . 1 1 119 119 GLY H H 1 9.183 0.02 . 1 . . . . . . . . 5019 1 631 . 1 1 119 119 GLY CA C 13 46.790 0.2 . 1 . . . . . . . . 5019 1 632 . 1 1 119 119 GLY C C 13 170.586 0.2 . 1 . . . . . . . . 5019 1 633 . 1 1 120 120 ASN N N 15 114.250 0.1 . 1 . . . . . . . . 5019 1 634 . 1 1 120 120 ASN H H 1 7.758 0.02 . 1 . . . . . . . . 5019 1 635 . 1 1 120 120 ASN CA C 13 51.946 0.2 . 1 . . . . . . . . 5019 1 636 . 1 1 120 120 ASN CB C 13 42.818 0.2 . 1 . . . . . . . . 5019 1 637 . 1 1 120 120 ASN CG C 13 177.490 0.2 . 1 . . . . . . . . 5019 1 638 . 1 1 120 120 ASN ND2 N 15 114.200 0.1 . 1 . . . . . . . . 5019 1 639 . 1 1 120 120 ASN HD21 H 1 7.743 0.02 . 2 . . . . . . . . 5019 1 640 . 1 1 120 120 ASN HD22 H 1 7.053 0.02 . 2 . . . . . . . . 5019 1 641 . 1 1 120 120 ASN C C 13 173.359 0.2 . 1 . . . . . . . . 5019 1 642 . 1 1 121 121 PHE N N 15 119.197 0.1 . 1 . . . . . . . . 5019 1 643 . 1 1 121 121 PHE H H 1 9.115 0.02 . 1 . . . . . . . . 5019 1 644 . 1 1 121 121 PHE CA C 13 58.001 0.2 . 1 . . . . . . . . 5019 1 645 . 1 1 121 121 PHE HA H 1 5.639 0.02 . 1 . . . . . . . . 5019 1 646 . 1 1 121 121 PHE CB C 13 40.960 0.2 . 1 . . . . . . . . 5019 1 647 . 1 1 121 121 PHE C C 13 176.534 0.2 . 1 . . . . . . . . 5019 1 648 . 1 1 122 122 ARG N N 15 121.091 0.1 . 1 . . . . . . . . 5019 1 649 . 1 1 122 122 ARG H H 1 9.217 0.02 . 1 . . . . . . . . 5019 1 650 . 1 1 122 122 ARG CA C 13 54.032 0.2 . 1 . . . . . . . . 5019 1 651 . 1 1 122 122 ARG HA H 1 4.831 0.02 . 1 . . . . . . . . 5019 1 652 . 1 1 122 122 ARG CB C 13 34.818 0.2 . 1 . . . . . . . . 5019 1 653 . 1 1 122 122 ARG C C 13 174.936 0.2 . 1 . . . . . . . . 5019 1 654 . 1 1 123 123 SER N N 15 117.260 0.1 . 1 . . . . . . . . 5019 1 655 . 1 1 123 123 SER H H 1 8.561 0.02 . 1 . . . . . . . . 5019 1 656 . 1 1 123 123 SER CA C 13 58.071 0.2 . 1 . . . . . . . . 5019 1 657 . 1 1 123 123 SER CB C 13 64.584 0.2 . 1 . . . . . . . . 5019 1 658 . 1 1 123 123 SER C C 13 174.028 0.2 . 1 . . . . . . . . 5019 1 659 . 1 1 124 124 TYR N N 15 122.699 0.1 . 1 . . . . . . . . 5019 1 660 . 1 1 124 124 TYR H H 1 8.543 0.02 . 1 . . . . . . . . 5019 1 661 . 1 1 124 124 TYR CA C 13 57.225 0.2 . 1 . . . . . . . . 5019 1 662 . 1 1 124 124 TYR CB C 13 40.144 0.2 . 1 . . . . . . . . 5019 1 663 . 1 1 124 124 TYR C C 13 174.259 0.2 . 1 . . . . . . . . 5019 1 664 . 1 1 125 125 ASN N N 15 119.640 0.1 . 1 . . . . . . . . 5019 1 665 . 1 1 125 125 ASN H H 1 8.325 0.02 . 1 . . . . . . . . 5019 1 666 . 1 1 125 125 ASN CA C 13 53.031 0.2 . 1 . . . . . . . . 5019 1 667 . 1 1 125 125 ASN CB C 13 39.413 0.2 . 1 . . . . . . . . 5019 1 668 . 1 1 125 125 ASN CG C 13 176.950 0.2 . 1 . . . . . . . . 5019 1 669 . 1 1 125 125 ASN ND2 N 15 112.350 0.1 . 1 . . . . . . . . 5019 1 670 . 1 1 125 125 ASN HD21 H 1 7.504 0.02 . 2 . . . . . . . . 5019 1 671 . 1 1 125 125 ASN HD22 H 1 6.815 0.02 . 2 . . . . . . . . 5019 1 672 . 1 1 125 125 ASN C C 13 174.480 0.2 . 1 . . . . . . . . 5019 1 673 . 1 1 126 126 ASN N N 15 120.024 0.1 . 1 . . . . . . . . 5019 1 674 . 1 1 126 126 ASN H H 1 8.262 0.02 . 1 . . . . . . . . 5019 1 675 . 1 1 126 126 ASN CA C 13 53.045 0.2 . 1 . . . . . . . . 5019 1 676 . 1 1 126 126 ASN CB C 13 39.091 0.2 . 1 . . . . . . . . 5019 1 677 . 1 1 126 126 ASN CG C 13 176.780 0.2 . 1 . . . . . . . . 5019 1 678 . 1 1 126 126 ASN ND2 N 15 112.290 0.1 . 1 . . . . . . . . 5019 1 679 . 1 1 126 126 ASN HD21 H 1 7.504 0.02 . 2 . . . . . . . . 5019 1 680 . 1 1 126 126 ASN HD22 H 1 6.803 0.02 . 2 . . . . . . . . 5019 1 681 . 1 1 126 126 ASN C C 13 174.480 0.2 . 1 . . . . . . . . 5019 1 682 . 1 1 127 127 VAL N N 15 121.353 0.1 . 1 . . . . . . . . 5019 1 683 . 1 1 127 127 VAL H H 1 7.948 0.02 . 1 . . . . . . . . 5019 1 684 . 1 1 127 127 VAL CA C 13 59.901 0.2 . 1 . . . . . . . . 5019 1 685 . 1 1 127 127 VAL CB C 13 32.844 0.2 . 1 . . . . . . . . 5019 1 686 . 1 1 127 127 VAL C C 13 174.288 0.2 . 1 . . . . . . . . 5019 1 687 . 1 1 132 132 CYS CA C 13 58.291 0.2 . 1 . . . . . . . . 5019 1 688 . 1 1 132 132 CYS CB C 13 28.805 0.2 . 1 . . . . . . . . 5019 1 689 . 1 1 133 133 ASN N N 15 125.908 0.1 . 1 . . . . . . . . 5019 1 690 . 1 1 133 133 ASN H H 1 8.024 0.02 . 1 . . . . . . . . 5019 1 691 . 1 1 133 133 ASN CA C 13 54.986 0.2 . 1 . . . . . . . . 5019 1 692 . 1 1 133 133 ASN CB C 13 41.065 0.2 . 1 . . . . . . . . 5019 1 693 . 1 1 133 133 ASN C C 13 176.087 0.2 . 1 . . . . . . . . 5019 1 694 . 1 1 134 134 GLY N N 15 113.664 0.1 . 1 . . . . . . . . 5019 1 695 . 1 1 134 134 GLY H H 1 8.120 0.02 . 1 . . . . . . . . 5019 1 696 . 1 1 134 134 GLY CA C 13 45.451 0.2 . 1 . . . . . . . . 5019 1 697 . 1 1 134 134 GLY C C 13 174.236 0.2 . 1 . . . . . . . . 5019 1 698 . 1 1 135 135 PHE N N 15 119.634 0.1 . 1 . . . . . . . . 5019 1 699 . 1 1 135 135 PHE H H 1 8.136 0.02 . 1 . . . . . . . . 5019 1 700 . 1 1 135 135 PHE CA C 13 57.890 0.2 . 1 . . . . . . . . 5019 1 701 . 1 1 135 135 PHE CB C 13 39.666 0.2 . 1 . . . . . . . . 5019 1 702 . 1 1 135 135 PHE C C 13 175.412 0.2 . 1 . . . . . . . . 5019 1 703 . 1 1 136 136 ASP N N 15 121.657 0.1 . 1 . . . . . . . . 5019 1 704 . 1 1 136 136 ASP H H 1 8.256 0.02 . 1 . . . . . . . . 5019 1 705 . 1 1 136 136 ASP CA C 13 54.537 0.2 . 1 . . . . . . . . 5019 1 706 . 1 1 136 136 ASP HA H 1 4.614 0.02 . 1 . . . . . . . . 5019 1 707 . 1 1 136 136 ASP CB C 13 41.239 0.2 . 1 . . . . . . . . 5019 1 708 . 1 1 136 136 ASP C C 13 176.054 0.2 . 1 . . . . . . . . 5019 1 709 . 1 1 137 137 ASN N N 15 119.725 0.1 . 1 . . . . . . . . 5019 1 710 . 1 1 137 137 ASN H H 1 8.414 0.02 . 1 . . . . . . . . 5019 1 711 . 1 1 137 137 ASN CA C 13 53.893 0.2 . 1 . . . . . . . . 5019 1 712 . 1 1 137 137 ASN HA H 1 4.210 0.02 . 1 . . . . . . . . 5019 1 713 . 1 1 137 137 ASN CB C 13 38.779 0.2 . 1 . . . . . . . . 5019 1 714 . 1 1 137 137 ASN CG C 13 177.200 0.2 . 1 . . . . . . . . 5019 1 715 . 1 1 137 137 ASN ND2 N 15 112.570 0.1 . 1 . . . . . . . . 5019 1 716 . 1 1 137 137 ASN HD21 H 1 7.571 0.02 . 2 . . . . . . . . 5019 1 717 . 1 1 137 137 ASN HD22 H 1 6.892 0.02 . 2 . . . . . . . . 5019 1 718 . 1 1 137 137 ASN C C 13 175.945 0.2 . 1 . . . . . . . . 5019 1 719 . 1 1 138 138 THR N N 15 113.724 0.1 . 1 . . . . . . . . 5019 1 720 . 1 1 138 138 THR H H 1 8.260 0.02 . 1 . . . . . . . . 5019 1 721 . 1 1 138 138 THR CA C 13 63.090 0.2 . 1 . . . . . . . . 5019 1 722 . 1 1 138 138 THR CB C 13 69.761 0.2 . 1 . . . . . . . . 5019 1 723 . 1 1 138 138 THR C C 13 175.066 0.2 . 1 . . . . . . . . 5019 1 724 . 1 1 139 139 LEU N N 15 122.723 0.1 . 1 . . . . . . . . 5019 1 725 . 1 1 139 139 LEU H H 1 7.974 0.02 . 1 . . . . . . . . 5019 1 726 . 1 1 139 139 LEU CA C 13 55.397 0.2 . 1 . . . . . . . . 5019 1 727 . 1 1 139 139 LEU CB C 13 42.351 0.2 . 1 . . . . . . . . 5019 1 728 . 1 1 139 139 LEU C C 13 177.300 0.2 . 1 . . . . . . . . 5019 1 729 . 1 1 140 140 SER N N 15 115.736 0.1 . 1 . . . . . . . . 5019 1 730 . 1 1 140 140 SER H H 1 8.108 0.02 . 1 . . . . . . . . 5019 1 731 . 1 1 140 140 SER CA C 13 63.809 0.2 . 1 . . . . . . . . 5019 1 732 . 1 1 140 140 SER CB C 13 58.384 0.2 . 1 . . . . . . . . 5019 1 733 . 1 1 140 140 SER C C 13 175.310 0.2 . 1 . . . . . . . . 5019 1 734 . 1 1 141 141 ARG N N 15 123.239 0.1 . 1 . . . . . . . . 5019 1 735 . 1 1 141 141 ARG H H 1 8.121 0.02 . 1 . . . . . . . . 5019 1 736 . 1 1 141 141 ARG CA C 13 53.908 0.2 . 1 . . . . . . . . 5019 1 737 . 1 1 141 141 ARG HA H 1 4.359 0.02 . 1 . . . . . . . . 5019 1 738 . 1 1 141 141 ARG CB C 13 30.675 0.2 . 1 . . . . . . . . 5019 1 739 . 1 1 141 141 ARG C C 13 176.610 0.2 . 1 . . . . . . . . 5019 1 740 . 1 1 146 146 PRO CA C 13 63.039 0.2 . 1 . . . . . . . . 5019 1 741 . 1 1 146 146 PRO CB C 13 32.159 0.2 . 1 . . . . . . . . 5019 1 742 . 1 1 146 146 PRO C C 13 176.575 0.2 . 1 . . . . . . . . 5019 1 743 . 1 1 147 147 LEU N N 15 122.160 0.1 . 1 . . . . . . . . 5019 1 744 . 1 1 147 147 LEU H H 1 8.248 0.02 . 1 . . . . . . . . 5019 1 745 . 1 1 147 147 LEU CA C 13 55.441 0.2 . 1 . . . . . . . . 5019 1 746 . 1 1 147 147 LEU CB C 13 42.732 0.2 . 1 . . . . . . . . 5019 1 747 . 1 1 147 147 LEU C C 13 177.998 0.2 . 1 . . . . . . . . 5019 1 748 . 1 1 148 148 GLY N N 15 109.966 0.1 . 1 . . . . . . . . 5019 1 749 . 1 1 148 148 GLY H H 1 8.409 0.02 . 1 . . . . . . . . 5019 1 750 . 1 1 148 148 GLY CA C 13 45.557 0.2 . 1 . . . . . . . . 5019 1 751 . 1 1 148 148 GLY C C 13 173.950 0.2 . 1 . . . . . . . . 5019 1 752 . 1 1 149 149 LYS N N 15 119.725 0.1 . 1 . . . . . . . . 5019 1 753 . 1 1 149 149 LYS H H 1 8.039 0.02 . 1 . . . . . . . . 5019 1 754 . 1 1 149 149 LYS CA C 13 56.091 0.2 . 1 . . . . . . . . 5019 1 755 . 1 1 149 149 LYS CB C 13 33.359 0.2 . 1 . . . . . . . . 5019 1 756 . 1 1 149 149 LYS C C 13 175.847 0.2 . 1 . . . . . . . . 5019 1 757 . 1 1 150 150 ASP N N 15 120.712 0.1 . 1 . . . . . . . . 5019 1 758 . 1 1 150 150 ASP H H 1 8.448 0.02 . 1 . . . . . . . . 5019 1 759 . 1 1 150 150 ASP CA C 13 54.278 0.2 . 1 . . . . . . . . 5019 1 760 . 1 1 150 150 ASP CB C 13 42.056 0.2 . 1 . . . . . . . . 5019 1 761 . 1 1 150 150 ASP C C 13 175.116 0.2 . 1 . . . . . . . . 5019 1 762 . 1 1 151 151 VAL N N 15 119.193 0.1 . 1 . . . . . . . . 5019 1 763 . 1 1 151 151 VAL H H 1 8.191 0.02 . 1 . . . . . . . . 5019 1 764 . 1 1 151 151 VAL CA C 13 61.542 0.2 . 1 . . . . . . . . 5019 1 765 . 1 1 151 151 VAL HA H 1 4.771 0.02 . 1 . . . . . . . . 5019 1 766 . 1 1 151 151 VAL CB C 13 34.719 0.2 . 1 . . . . . . . . 5019 1 767 . 1 1 151 151 VAL C C 13 174.901 0.2 . 1 . . . . . . . . 5019 1 768 . 1 1 152 152 CYS N N 15 120.259 0.1 . 1 . . . . . . . . 5019 1 769 . 1 1 152 152 CYS H H 1 9.113 0.02 . 1 . . . . . . . . 5019 1 770 . 1 1 152 152 CYS CA C 13 55.909 0.2 . 1 . . . . . . . . 5019 1 771 . 1 1 152 152 CYS HA H 1 5.279 0.02 . 1 . . . . . . . . 5019 1 772 . 1 1 152 152 CYS CB C 13 31.819 0.2 . 1 . . . . . . . . 5019 1 773 . 1 1 152 152 CYS C C 13 171.141 0.2 . 1 . . . . . . . . 5019 1 774 . 1 1 153 153 PHE N N 15 123.363 0.1 . 1 . . . . . . . . 5019 1 775 . 1 1 153 153 PHE H H 1 9.573 0.02 . 1 . . . . . . . . 5019 1 776 . 1 1 153 153 PHE CA C 13 56.514 0.2 . 1 . . . . . . . . 5019 1 777 . 1 1 153 153 PHE HA H 1 4.778 0.02 . 1 . . . . . . . . 5019 1 778 . 1 1 153 153 PHE CB C 13 41.005 0.2 . 1 . . . . . . . . 5019 1 779 . 1 1 153 153 PHE C C 13 173.365 0.2 . 1 . . . . . . . . 5019 1 780 . 1 1 154 154 ILE N N 15 127.008 0.1 . 1 . . . . . . . . 5019 1 781 . 1 1 154 154 ILE H H 1 8.225 0.02 . 1 . . . . . . . . 5019 1 782 . 1 1 154 154 ILE CA C 13 60.311 0.2 . 1 . . . . . . . . 5019 1 783 . 1 1 154 154 ILE HA H 1 4.621 0.02 . 1 . . . . . . . . 5019 1 784 . 1 1 154 154 ILE CB C 13 39.278 0.2 . 1 . . . . . . . . 5019 1 785 . 1 1 154 154 ILE C C 13 174.674 0.2 . 1 . . . . . . . . 5019 1 786 . 1 1 155 155 ALA N N 15 128.481 0.1 . 1 . . . . . . . . 5019 1 787 . 1 1 155 155 ALA H H 1 8.941 0.02 . 1 . . . . . . . . 5019 1 788 . 1 1 155 155 ALA CA C 13 49.894 0.2 . 1 . . . . . . . . 5019 1 789 . 1 1 155 155 ALA HA H 1 5.124 0.02 . 1 . . . . . . . . 5019 1 790 . 1 1 155 155 ALA CB C 13 24.483 0.2 . 1 . . . . . . . . 5019 1 791 . 1 1 155 155 ALA C C 13 175.494 0.2 . 1 . . . . . . . . 5019 1 792 . 1 1 156 156 THR N N 15 113.540 0.1 . 1 . . . . . . . . 5019 1 793 . 1 1 156 156 THR H H 1 8.345 0.02 . 1 . . . . . . . . 5019 1 794 . 1 1 156 156 THR CA C 13 61.617 0.2 . 1 . . . . . . . . 5019 1 795 . 1 1 156 156 THR HA H 1 4.595 0.02 . 1 . . . . . . . . 5019 1 796 . 1 1 156 156 THR CB C 13 69.766 0.2 . 1 . . . . . . . . 5019 1 797 . 1 1 156 156 THR C C 13 173.859 0.2 . 1 . . . . . . . . 5019 1 798 . 1 1 157 157 VAL N N 15 128.731 0.1 . 1 . . . . . . . . 5019 1 799 . 1 1 157 157 VAL H H 1 8.749 0.02 . 1 . . . . . . . . 5019 1 800 . 1 1 157 157 VAL CA C 13 60.484 0.2 . 1 . . . . . . . . 5019 1 801 . 1 1 157 157 VAL HA H 1 4.175 0.02 . 1 . . . . . . . . 5019 1 802 . 1 1 157 157 VAL CB C 13 31.723 0.2 . 1 . . . . . . . . 5019 1 803 . 1 1 157 157 VAL C C 13 174.046 0.2 . 1 . . . . . . . . 5019 1 804 . 1 1 158 158 ARG N N 15 121.446 0.1 . 1 . . . . . . . . 5019 1 805 . 1 1 158 158 ARG H H 1 7.815 0.02 . 1 . . . . . . . . 5019 1 806 . 1 1 158 158 ARG CA C 13 53.913 0.2 . 1 . . . . . . . . 5019 1 807 . 1 1 158 158 ARG HA H 1 4.584 0.02 . 1 . . . . . . . . 5019 1 808 . 1 1 158 158 ARG CB C 13 35.277 0.2 . 1 . . . . . . . . 5019 1 809 . 1 1 158 158 ARG C C 13 175.392 0.2 . 1 . . . . . . . . 5019 1 810 . 1 1 159 159 LEU N N 15 120.374 0.1 . 1 . . . . . . . . 5019 1 811 . 1 1 159 159 LEU H H 1 8.677 0.02 . 1 . . . . . . . . 5019 1 812 . 1 1 159 159 LEU CA C 13 56.805 0.2 . 1 . . . . . . . . 5019 1 813 . 1 1 159 159 LEU HA H 1 4.366 0.02 . 1 . . . . . . . . 5019 1 814 . 1 1 159 159 LEU CB C 13 41.415 0.2 . 1 . . . . . . . . 5019 1 815 . 1 1 159 159 LEU C C 13 177.226 0.2 . 1 . . . . . . . . 5019 1 816 . 1 1 160 160 ALA N N 15 125.369 0.1 . 1 . . . . . . . . 5019 1 817 . 1 1 160 160 ALA H H 1 8.529 0.02 . 1 . . . . . . . . 5019 1 818 . 1 1 160 160 ALA CA C 13 51.560 0.2 . 1 . . . . . . . . 5019 1 819 . 1 1 160 160 ALA HA H 1 4.563 0.02 . 1 . . . . . . . . 5019 1 820 . 1 1 160 160 ALA CB C 13 21.471 0.2 . 1 . . . . . . . . 5019 1 821 . 1 1 160 160 ALA C C 13 176.480 0.2 . 1 . . . . . . . . 5019 1 822 . 1 1 161 161 THR N N 15 115.396 0.1 . 1 . . . . . . . . 5019 1 823 . 1 1 161 161 THR H H 1 8.152 0.02 . 1 . . . . . . . . 5019 1 824 . 1 1 161 161 THR CA C 13 59.936 0.2 . 1 . . . . . . . . 5019 1 825 . 1 1 161 161 THR HA H 1 4.730 0.02 . 1 . . . . . . . . 5019 1 826 . 1 1 161 161 THR CB C 13 70.028 0.2 . 1 . . . . . . . . 5019 1 827 . 1 1 161 161 THR C C 13 172.886 0.2 . 1 . . . . . . . . 5019 1 828 . 1 1 162 162 PRO CA C 13 63.351 0.2 . 1 . . . . . . . . 5019 1 829 . 1 1 162 162 PRO CB C 13 32.181 0.2 . 1 . . . . . . . . 5019 1 830 . 1 1 162 162 PRO C C 13 176.616 0.2 . 1 . . . . . . . . 5019 1 831 . 1 1 163 163 GLN N N 15 120.485 0.1 . 1 . . . . . . . . 5019 1 832 . 1 1 163 163 GLN H H 1 8.292 0.02 . 1 . . . . . . . . 5019 1 833 . 1 1 163 163 GLN CA C 13 56.012 0.2 . 1 . . . . . . . . 5019 1 834 . 1 1 163 163 GLN CB C 13 29.651 0.2 . 1 . . . . . . . . 5019 1 835 . 1 1 163 163 GLN CG C 13 33.850 0.2 . 1 . . . . . . . . 5019 1 836 . 1 1 163 163 GLN CD C 13 180.520 0.2 . 1 . . . . . . . . 5019 1 837 . 1 1 163 163 GLN NE2 N 15 112.700 0.1 . 1 . . . . . . . . 5019 1 838 . 1 1 163 163 GLN HE21 H 1 7.409 0.02 . 2 . . . . . . . . 5019 1 839 . 1 1 163 163 GLN HE22 H 1 6.790 0.02 . 2 . . . . . . . . 5019 1 840 . 1 1 163 163 GLN C C 13 175.730 0.2 . 1 . . . . . . . . 5019 1 841 . 1 1 164 164 PHE N N 15 120.253 0.1 . 1 . . . . . . . . 5019 1 842 . 1 1 164 164 PHE H H 1 8.051 0.02 . 1 . . . . . . . . 5019 1 843 . 1 1 164 164 PHE CA C 13 57.325 0.2 . 1 . . . . . . . . 5019 1 844 . 1 1 164 164 PHE HA H 1 4.647 0.02 . 1 . . . . . . . . 5019 1 845 . 1 1 164 164 PHE CB C 13 39.560 0.2 . 1 . . . . . . . . 5019 1 846 . 1 1 164 164 PHE C C 13 175.297 0.2 . 1 . . . . . . . . 5019 1 847 . 1 1 165 165 LEU N N 15 123.995 0.1 . 1 . . . . . . . . 5019 1 848 . 1 1 165 165 LEU H H 1 8.095 0.02 . 1 . . . . . . . . 5019 1 849 . 1 1 165 165 LEU CA C 13 54.962 0.2 . 1 . . . . . . . . 5019 1 850 . 1 1 165 165 LEU HA H 1 4.352 0.02 . 1 . . . . . . . . 5019 1 851 . 1 1 165 165 LEU CB C 13 42.616 0.2 . 1 . . . . . . . . 5019 1 852 . 1 1 165 165 LEU C C 13 176.608 0.2 . 1 . . . . . . . . 5019 1 853 . 1 1 166 166 LYS N N 15 123.355 0.1 . 1 . . . . . . . . 5019 1 854 . 1 1 166 166 LYS H H 1 8.193 0.02 . 1 . . . . . . . . 5019 1 855 . 1 1 166 166 LYS CA C 13 56.250 0.2 . 1 . . . . . . . . 5019 1 856 . 1 1 166 166 LYS HA H 1 4.325 0.02 . 1 . . . . . . . . 5019 1 857 . 1 1 166 166 LYS CB C 13 33.376 0.2 . 1 . . . . . . . . 5019 1 858 . 1 1 166 166 LYS C C 13 175.424 0.2 . 1 . . . . . . . . 5019 1 859 . 1 1 167 167 GLU N N 15 127.833 0.1 . 1 . . . . . . . . 5019 1 860 . 1 1 167 167 GLU H H 1 7.965 0.02 . 1 . . . . . . . . 5019 1 861 . 1 1 167 167 GLU CA C 13 58.071 0.2 . 1 . . . . . . . . 5019 1 862 . 1 1 167 167 GLU HA H 1 4.134 0.02 . 1 . . . . . . . . 5019 1 863 . 1 1 167 167 GLU CB C 13 31.472 0.2 . 1 . . . . . . . . 5019 1 864 . 1 1 167 167 GLU C C 13 181.080 0.2 . 1 . . . . . . . . 5019 1 stop_ save_