data_19980 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19980 _Entry.Title ; NMR resonance assignments of the catalytic domain of human serine/threonine phosphatase calcineurin in unligated state ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-05-20 _Entry.Accession_date 2014-05-20 _Entry.Last_release_date 2014-10-09 _Entry.Original_release_date 2014-10-09 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Koh Takeuchi . . . 19980 2 Zhen-Yu Sun J . . 19980 3 Maayan Gal . . . 19980 4 Shuai Li . . . 19980 5 Gerhard Wagner . . . 19980 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19980 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 124 19980 '1H chemical shifts' 124 19980 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 . . 2014-10-09 2014-05-20 original author . 19980 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19981 CnA-VIVIT 19980 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19980 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25209144 _Citation.Full_citation . _Citation.Title 'NMR resonance assignments of the catalytic domain of human serine/threonine phosphatase calcineurin in unligated and PVIVIT-peptide-bound states' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2014 _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 Koh Takeuchi . . . 19980 1 2 Zhen-Yu Sun J . . 19980 1 3 Shuai Li . . . 19980 1 4 Maayan Gal . . . 19980 1 5 Gerhard Wagner . . . 19980 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19980 _Assembly.ID 1 _Assembly.Name 'CnA free' _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 yes _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 CnA 1 $CnA A . yes native yes no . . . 19980 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CnA _Entity.Sf_category entity _Entity.Sf_framecode CnA _Entity.Entry_ID 19980 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CnA _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 ; GPLGSEPKAIDPKLSTTDRV VKAVPFPPSHRLTAKEVFDN DGKPRVDILKAHLMKEGRLE ESVALRIITEGASILRQEKN LLDIDAPVTVCGDIHGQFFD LMKLFEVGGSPANTRYLFLG DYVDRGYFSIECVLYLWALK ILYPKTLFLLRGNHECRHLT EYFTFKQECKIKYSERVYDA CMDAFDCLPLAALMNQQFLC VHGGLSPEINTLDDIRKLDR FKEPPAYGPMCDILWSDPLE DFGNEKTQEHFTHNTVRGCS YFYSYPAVCEFLQHNNLLSI LRAHEAQDAGYRMYRKSQTT GFPSLITIFSAPNYLDVYNN KAAVLKYENNVMNIRQFNCS PHPSWAPNFD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; CnA, comprising residues 2-347 with substitutions Y341S, L343A, and M347D. The protein was produced as a cleavable GST fusion protein. Cleavage of the fusion protein with PreScission protease produces CnA (2-347) with an additional GPLG sequence at its N-terminus. ; _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 350 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic yes _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 19981 . CnA . . . . . 100.00 350 100.00 100.00 0.00e+00 . . . . 19980 1 2 no PDB 1AUI . "Human Calcineurin Heterodimer" . . . . . 98.57 521 99.42 99.42 0.00e+00 . . . . 19980 1 3 no PDB 1M63 . "Crystal Structure Of Calcineurin-Cyclophilin-Cyclosporin Shows Common But Distinct Recognition Of Immunophilin-Drug Complexes" . . . . . 98.57 372 99.42 99.42 0.00e+00 . . . . 19980 1 4 no PDB 1MF8 . "Crystal Structure Of Human Calcineurin Complexed With Cyclosporin A And Human Cyclophilin" . . . . . 93.43 373 99.39 99.39 0.00e+00 . . . . 19980 1 5 no PDB 1TCO . "Ternary Complex Of A Calcineurin A Fragment, Calcineurin B, Fkbp12 And The Immunosuppressant Drug Fk506 (tacrolimus)" . . . . . 94.00 375 99.09 99.39 0.00e+00 . . . . 19980 1 6 no PDB 2JOG . "Structure Of The Calcineurin-Nfat Complex" . . . . . 93.14 327 99.39 99.39 0.00e+00 . . . . 19980 1 7 no PDB 2P6B . "Crystal Structure Of Human Calcineurin In Complex With Pvivit Peptide" . . . . . 99.71 383 98.57 98.57 0.00e+00 . . . . 19980 1 8 no PDB 3LL8 . "Crystal Structure Of Calcineurin In Complex With Akap79 Peptide" . . . . . 95.14 357 99.40 99.40 0.00e+00 . . . . 19980 1 9 no PDB 4F0Z . "Crystal Structure Of Calcineurin In Complex With The Calcineurin- Inhibiting Domain Of The African Swine Fever Virus Protein A2" . . . . . 98.57 372 99.42 99.42 0.00e+00 . . . . 19980 1 10 no PDB 4IL1 . "Crystal Structure Of The Rat Calcineurin" . . . . . 98.57 823 99.13 99.42 0.00e+00 . . . . 19980 1 11 no PDB 4ORB . "Crytal Structure Of Mouse Calcineurin" . . . . . 98.57 519 99.13 99.42 0.00e+00 . . . . 19980 1 12 no DBJ BAA14083 . "calcineurin A alpha [Rattus norvegicus]" . . . . . 98.57 521 99.13 99.42 0.00e+00 . . . . 19980 1 13 no DBJ BAE27131 . "unnamed protein product [Mus musculus]" . . . . . 98.57 511 99.13 99.42 0.00e+00 . . . . 19980 1 14 no DBJ BAE29521 . "unnamed protein product [Mus musculus]" . . . . . 98.57 511 99.13 99.42 0.00e+00 . . . . 19980 1 15 no DBJ BAF83221 . "unnamed protein product [Homo sapiens]" . . . . . 98.57 511 99.42 99.42 0.00e+00 . . . . 19980 1 16 no DBJ BAG11443 . "serine/threonine-protein phosphatase 2B catalytic subunit alpha isoform [synthetic construct]" . . . . . 98.57 511 99.42 99.42 0.00e+00 . . . . 19980 1 17 no EMBL CAA40398 . "serine/threonine specific protein phosphatase [Rattus norvegicus]" . . . . . 98.57 511 99.13 99.42 0.00e+00 . . . . 19980 1 18 no EMBL CAB89253 . "hypothetical protein [Homo sapiens]" . . . . . 98.57 521 99.42 99.42 0.00e+00 . . . . 19980 1 19 no EMBL CAH91746 . "hypothetical protein [Pongo abelii]" . . . . . 98.57 511 99.42 99.42 0.00e+00 . . . . 19980 1 20 no EMBL CAL38363 . "hypothetical protein [synthetic construct]" . . . . . 98.57 511 99.42 99.42 0.00e+00 . . . . 19980 1 21 no EMBL CAL38589 . "hypothetical protein [synthetic construct]" . . . . . 98.57 511 99.42 99.42 0.00e+00 . . . . 19980 1 22 no GB AAA02631 . "calmodulin-dependent phosphatase catalytic subunit [Homo sapiens]" . . . . . 98.57 521 99.42 99.42 0.00e+00 . . . . 19980 1 23 no GB AAA37359 . "calcineurin catalytic subunit [Mus musculus]" . . . . . 98.57 521 99.13 99.42 0.00e+00 . . . . 19980 1 24 no GB AAA40940 . "calcineurin A [Rattus norvegicus]" . . . . . 98.57 521 99.13 99.42 0.00e+00 . . . . 19980 1 25 no GB AAC48473 . "calcineurin A alpha [Bos taurus]" . . . . . 98.57 521 99.13 99.42 0.00e+00 . . . . 19980 1 26 no GB AAH25714 . "PPP3CA protein [Homo sapiens]" . . . . . 98.57 511 99.42 99.42 0.00e+00 . . . . 19980 1 27 no PRF 1714202A . "calcineurin A" . . . . . 98.57 511 99.13 99.42 0.00e+00 . . . . 19980 1 28 no REF NP_000935 . "serine/threonine-protein phosphatase 2B catalytic subunit alpha isoform isoform 1 [Homo sapiens]" . . . . . 98.57 521 99.42 99.42 0.00e+00 . . . . 19980 1 29 no REF NP_001076161 . "serine/threonine-protein phosphatase 2B catalytic subunit alpha isoform [Oryctolagus cuniculus]" . . . . . 98.57 511 99.42 99.42 0.00e+00 . . . . 19980 1 30 no REF NP_001124163 . "serine/threonine-protein phosphatase 2B catalytic subunit alpha isoform isoform 2 [Homo sapiens]" . . . . . 98.57 511 99.42 99.42 0.00e+00 . . . . 19980 1 31 no REF NP_001124164 . "serine/threonine-protein phosphatase 2B catalytic subunit alpha isoform isoform 3 [Homo sapiens]" . . . . . 94.29 469 97.58 98.18 0.00e+00 . . . . 19980 1 32 no REF NP_001127457 . "serine/threonine-protein phosphatase 2B catalytic subunit alpha isoform [Pongo abelii]" . . . . . 98.57 511 99.42 99.42 0.00e+00 . . . . 19980 1 33 no SP P48452 . "RecName: Full=Serine/threonine-protein phosphatase 2B catalytic subunit alpha isoform; AltName: Full=CAM-PRP catalytic subunit;" . . . . . 98.57 521 99.13 99.42 0.00e+00 . . . . 19980 1 34 no SP P63328 . "RecName: Full=Serine/threonine-protein phosphatase 2B catalytic subunit alpha isoform; AltName: Full=CAM-PRP catalytic subunit;" . . . . . 98.57 521 99.13 99.42 0.00e+00 . . . . 19980 1 35 no SP P63329 . "RecName: Full=Serine/threonine-protein phosphatase 2B catalytic subunit alpha isoform; AltName: Full=CAM-PRP catalytic subunit;" . . . . . 98.57 521 99.13 99.42 0.00e+00 . . . . 19980 1 36 no SP Q08209 . "RecName: Full=Serine/threonine-protein phosphatase 2B catalytic subunit alpha isoform; AltName: Full=CAM-PRP catalytic subunit;" . . . . . 98.57 521 99.42 99.42 0.00e+00 . . . . 19980 1 37 no TPG DAA28842 . "TPA: serine/threonine-protein phosphatase 2B catalytic subunit alpha isoform [Bos taurus]" . . . . . 98.57 521 99.13 99.42 0.00e+00 . . . . 19980 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 -2 GLY . 19980 1 2 -1 PRO . 19980 1 3 0 LEU . 19980 1 4 1 GLY . 19980 1 5 2 SER . 19980 1 6 3 GLU . 19980 1 7 4 PRO . 19980 1 8 5 LYS . 19980 1 9 6 ALA . 19980 1 10 7 ILE . 19980 1 11 8 ASP . 19980 1 12 9 PRO . 19980 1 13 10 LYS . 19980 1 14 11 LEU . 19980 1 15 12 SER . 19980 1 16 13 THR . 19980 1 17 14 THR . 19980 1 18 15 ASP . 19980 1 19 16 ARG . 19980 1 20 17 VAL . 19980 1 21 18 VAL . 19980 1 22 19 LYS . 19980 1 23 20 ALA . 19980 1 24 21 VAL . 19980 1 25 22 PRO . 19980 1 26 23 PHE . 19980 1 27 24 PRO . 19980 1 28 25 PRO . 19980 1 29 26 SER . 19980 1 30 27 HIS . 19980 1 31 28 ARG . 19980 1 32 29 LEU . 19980 1 33 30 THR . 19980 1 34 31 ALA . 19980 1 35 32 LYS . 19980 1 36 33 GLU . 19980 1 37 34 VAL . 19980 1 38 35 PHE . 19980 1 39 36 ASP . 19980 1 40 37 ASN . 19980 1 41 38 ASP . 19980 1 42 39 GLY . 19980 1 43 40 LYS . 19980 1 44 41 PRO . 19980 1 45 42 ARG . 19980 1 46 43 VAL . 19980 1 47 44 ASP . 19980 1 48 45 ILE . 19980 1 49 46 LEU . 19980 1 50 47 LYS . 19980 1 51 48 ALA . 19980 1 52 49 HIS . 19980 1 53 50 LEU . 19980 1 54 51 MET . 19980 1 55 52 LYS . 19980 1 56 53 GLU . 19980 1 57 54 GLY . 19980 1 58 55 ARG . 19980 1 59 56 LEU . 19980 1 60 57 GLU . 19980 1 61 58 GLU . 19980 1 62 59 SER . 19980 1 63 60 VAL . 19980 1 64 61 ALA . 19980 1 65 62 LEU . 19980 1 66 63 ARG . 19980 1 67 64 ILE . 19980 1 68 65 ILE . 19980 1 69 66 THR . 19980 1 70 67 GLU . 19980 1 71 68 GLY . 19980 1 72 69 ALA . 19980 1 73 70 SER . 19980 1 74 71 ILE . 19980 1 75 72 LEU . 19980 1 76 73 ARG . 19980 1 77 74 GLN . 19980 1 78 75 GLU . 19980 1 79 76 LYS . 19980 1 80 77 ASN . 19980 1 81 78 LEU . 19980 1 82 79 LEU . 19980 1 83 80 ASP . 19980 1 84 81 ILE . 19980 1 85 82 ASP . 19980 1 86 83 ALA . 19980 1 87 84 PRO . 19980 1 88 85 VAL . 19980 1 89 86 THR . 19980 1 90 87 VAL . 19980 1 91 88 CYS . 19980 1 92 89 GLY . 19980 1 93 90 ASP . 19980 1 94 91 ILE . 19980 1 95 92 HIS . 19980 1 96 93 GLY . 19980 1 97 94 GLN . 19980 1 98 95 PHE . 19980 1 99 96 PHE . 19980 1 100 97 ASP . 19980 1 101 98 LEU . 19980 1 102 99 MET . 19980 1 103 100 LYS . 19980 1 104 101 LEU . 19980 1 105 102 PHE . 19980 1 106 103 GLU . 19980 1 107 104 VAL . 19980 1 108 105 GLY . 19980 1 109 106 GLY . 19980 1 110 107 SER . 19980 1 111 108 PRO . 19980 1 112 109 ALA . 19980 1 113 110 ASN . 19980 1 114 111 THR . 19980 1 115 112 ARG . 19980 1 116 113 TYR . 19980 1 117 114 LEU . 19980 1 118 115 PHE . 19980 1 119 116 LEU . 19980 1 120 117 GLY . 19980 1 121 118 ASP . 19980 1 122 119 TYR . 19980 1 123 120 VAL . 19980 1 124 121 ASP . 19980 1 125 122 ARG . 19980 1 126 123 GLY . 19980 1 127 124 TYR . 19980 1 128 125 PHE . 19980 1 129 126 SER . 19980 1 130 127 ILE . 19980 1 131 128 GLU . 19980 1 132 129 CYS . 19980 1 133 130 VAL . 19980 1 134 131 LEU . 19980 1 135 132 TYR . 19980 1 136 133 LEU . 19980 1 137 134 TRP . 19980 1 138 135 ALA . 19980 1 139 136 LEU . 19980 1 140 137 LYS . 19980 1 141 138 ILE . 19980 1 142 139 LEU . 19980 1 143 140 TYR . 19980 1 144 141 PRO . 19980 1 145 142 LYS . 19980 1 146 143 THR . 19980 1 147 144 LEU . 19980 1 148 145 PHE . 19980 1 149 146 LEU . 19980 1 150 147 LEU . 19980 1 151 148 ARG . 19980 1 152 149 GLY . 19980 1 153 150 ASN . 19980 1 154 151 HIS . 19980 1 155 152 GLU . 19980 1 156 153 CYS . 19980 1 157 154 ARG . 19980 1 158 155 HIS . 19980 1 159 156 LEU . 19980 1 160 157 THR . 19980 1 161 158 GLU . 19980 1 162 159 TYR . 19980 1 163 160 PHE . 19980 1 164 161 THR . 19980 1 165 162 PHE . 19980 1 166 163 LYS . 19980 1 167 164 GLN . 19980 1 168 165 GLU . 19980 1 169 166 CYS . 19980 1 170 167 LYS . 19980 1 171 168 ILE . 19980 1 172 169 LYS . 19980 1 173 170 TYR . 19980 1 174 171 SER . 19980 1 175 172 GLU . 19980 1 176 173 ARG . 19980 1 177 174 VAL . 19980 1 178 175 TYR . 19980 1 179 176 ASP . 19980 1 180 177 ALA . 19980 1 181 178 CYS . 19980 1 182 179 MET . 19980 1 183 180 ASP . 19980 1 184 181 ALA . 19980 1 185 182 PHE . 19980 1 186 183 ASP . 19980 1 187 184 CYS . 19980 1 188 185 LEU . 19980 1 189 186 PRO . 19980 1 190 187 LEU . 19980 1 191 188 ALA . 19980 1 192 189 ALA . 19980 1 193 190 LEU . 19980 1 194 191 MET . 19980 1 195 192 ASN . 19980 1 196 193 GLN . 19980 1 197 194 GLN . 19980 1 198 195 PHE . 19980 1 199 196 LEU . 19980 1 200 197 CYS . 19980 1 201 198 VAL . 19980 1 202 199 HIS . 19980 1 203 200 GLY . 19980 1 204 201 GLY . 19980 1 205 202 LEU . 19980 1 206 203 SER . 19980 1 207 204 PRO . 19980 1 208 205 GLU . 19980 1 209 206 ILE . 19980 1 210 207 ASN . 19980 1 211 208 THR . 19980 1 212 209 LEU . 19980 1 213 210 ASP . 19980 1 214 211 ASP . 19980 1 215 212 ILE . 19980 1 216 213 ARG . 19980 1 217 214 LYS . 19980 1 218 215 LEU . 19980 1 219 216 ASP . 19980 1 220 217 ARG . 19980 1 221 218 PHE . 19980 1 222 219 LYS . 19980 1 223 220 GLU . 19980 1 224 221 PRO . 19980 1 225 222 PRO . 19980 1 226 223 ALA . 19980 1 227 224 TYR . 19980 1 228 225 GLY . 19980 1 229 226 PRO . 19980 1 230 227 MET . 19980 1 231 228 CYS . 19980 1 232 229 ASP . 19980 1 233 230 ILE . 19980 1 234 231 LEU . 19980 1 235 232 TRP . 19980 1 236 233 SER . 19980 1 237 234 ASP . 19980 1 238 235 PRO . 19980 1 239 236 LEU . 19980 1 240 237 GLU . 19980 1 241 238 ASP . 19980 1 242 239 PHE . 19980 1 243 240 GLY . 19980 1 244 241 ASN . 19980 1 245 242 GLU . 19980 1 246 243 LYS . 19980 1 247 244 THR . 19980 1 248 245 GLN . 19980 1 249 246 GLU . 19980 1 250 247 HIS . 19980 1 251 248 PHE . 19980 1 252 249 THR . 19980 1 253 250 HIS . 19980 1 254 251 ASN . 19980 1 255 252 THR . 19980 1 256 253 VAL . 19980 1 257 254 ARG . 19980 1 258 255 GLY . 19980 1 259 256 CYS . 19980 1 260 257 SER . 19980 1 261 258 TYR . 19980 1 262 259 PHE . 19980 1 263 260 TYR . 19980 1 264 261 SER . 19980 1 265 262 TYR . 19980 1 266 263 PRO . 19980 1 267 264 ALA . 19980 1 268 265 VAL . 19980 1 269 266 CYS . 19980 1 270 267 GLU . 19980 1 271 268 PHE . 19980 1 272 269 LEU . 19980 1 273 270 GLN . 19980 1 274 271 HIS . 19980 1 275 272 ASN . 19980 1 276 273 ASN . 19980 1 277 274 LEU . 19980 1 278 275 LEU . 19980 1 279 276 SER . 19980 1 280 277 ILE . 19980 1 281 278 LEU . 19980 1 282 279 ARG . 19980 1 283 280 ALA . 19980 1 284 281 HIS . 19980 1 285 282 GLU . 19980 1 286 283 ALA . 19980 1 287 284 GLN . 19980 1 288 285 ASP . 19980 1 289 286 ALA . 19980 1 290 287 GLY . 19980 1 291 288 TYR . 19980 1 292 289 ARG . 19980 1 293 290 MET . 19980 1 294 291 TYR . 19980 1 295 292 ARG . 19980 1 296 293 LYS . 19980 1 297 294 SER . 19980 1 298 295 GLN . 19980 1 299 296 THR . 19980 1 300 297 THR . 19980 1 301 298 GLY . 19980 1 302 299 PHE . 19980 1 303 300 PRO . 19980 1 304 301 SER . 19980 1 305 302 LEU . 19980 1 306 303 ILE . 19980 1 307 304 THR . 19980 1 308 305 ILE . 19980 1 309 306 PHE . 19980 1 310 307 SER . 19980 1 311 308 ALA . 19980 1 312 309 PRO . 19980 1 313 310 ASN . 19980 1 314 311 TYR . 19980 1 315 312 LEU . 19980 1 316 313 ASP . 19980 1 317 314 VAL . 19980 1 318 315 TYR . 19980 1 319 316 ASN . 19980 1 320 317 ASN . 19980 1 321 318 LYS . 19980 1 322 319 ALA . 19980 1 323 320 ALA . 19980 1 324 321 VAL . 19980 1 325 322 LEU . 19980 1 326 323 LYS . 19980 1 327 324 TYR . 19980 1 328 325 GLU . 19980 1 329 326 ASN . 19980 1 330 327 ASN . 19980 1 331 328 VAL . 19980 1 332 329 MET . 19980 1 333 330 ASN . 19980 1 334 331 ILE . 19980 1 335 332 ARG . 19980 1 336 333 GLN . 19980 1 337 334 PHE . 19980 1 338 335 ASN . 19980 1 339 336 CYS . 19980 1 340 337 SER . 19980 1 341 338 PRO . 19980 1 342 339 HIS . 19980 1 343 340 PRO . 19980 1 344 341 SER . 19980 1 345 342 TRP . 19980 1 346 343 ALA . 19980 1 347 344 PRO . 19980 1 348 345 ASN . 19980 1 349 346 PHE . 19980 1 350 347 ASP . 19980 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 19980 1 . PRO 2 2 19980 1 . LEU 3 3 19980 1 . GLY 4 4 19980 1 . SER 5 5 19980 1 . GLU 6 6 19980 1 . PRO 7 7 19980 1 . LYS 8 8 19980 1 . ALA 9 9 19980 1 . ILE 10 10 19980 1 . ASP 11 11 19980 1 . PRO 12 12 19980 1 . LYS 13 13 19980 1 . LEU 14 14 19980 1 . SER 15 15 19980 1 . THR 16 16 19980 1 . THR 17 17 19980 1 . ASP 18 18 19980 1 . ARG 19 19 19980 1 . VAL 20 20 19980 1 . VAL 21 21 19980 1 . LYS 22 22 19980 1 . ALA 23 23 19980 1 . VAL 24 24 19980 1 . PRO 25 25 19980 1 . PHE 26 26 19980 1 . PRO 27 27 19980 1 . PRO 28 28 19980 1 . SER 29 29 19980 1 . HIS 30 30 19980 1 . ARG 31 31 19980 1 . LEU 32 32 19980 1 . THR 33 33 19980 1 . ALA 34 34 19980 1 . LYS 35 35 19980 1 . GLU 36 36 19980 1 . VAL 37 37 19980 1 . PHE 38 38 19980 1 . ASP 39 39 19980 1 . ASN 40 40 19980 1 . ASP 41 41 19980 1 . GLY 42 42 19980 1 . LYS 43 43 19980 1 . PRO 44 44 19980 1 . ARG 45 45 19980 1 . VAL 46 46 19980 1 . ASP 47 47 19980 1 . ILE 48 48 19980 1 . LEU 49 49 19980 1 . LYS 50 50 19980 1 . ALA 51 51 19980 1 . HIS 52 52 19980 1 . LEU 53 53 19980 1 . MET 54 54 19980 1 . LYS 55 55 19980 1 . GLU 56 56 19980 1 . GLY 57 57 19980 1 . ARG 58 58 19980 1 . LEU 59 59 19980 1 . GLU 60 60 19980 1 . GLU 61 61 19980 1 . SER 62 62 19980 1 . VAL 63 63 19980 1 . ALA 64 64 19980 1 . LEU 65 65 19980 1 . ARG 66 66 19980 1 . ILE 67 67 19980 1 . ILE 68 68 19980 1 . THR 69 69 19980 1 . GLU 70 70 19980 1 . GLY 71 71 19980 1 . ALA 72 72 19980 1 . SER 73 73 19980 1 . ILE 74 74 19980 1 . LEU 75 75 19980 1 . ARG 76 76 19980 1 . GLN 77 77 19980 1 . GLU 78 78 19980 1 . LYS 79 79 19980 1 . ASN 80 80 19980 1 . LEU 81 81 19980 1 . LEU 82 82 19980 1 . ASP 83 83 19980 1 . ILE 84 84 19980 1 . ASP 85 85 19980 1 . ALA 86 86 19980 1 . PRO 87 87 19980 1 . VAL 88 88 19980 1 . THR 89 89 19980 1 . VAL 90 90 19980 1 . CYS 91 91 19980 1 . GLY 92 92 19980 1 . ASP 93 93 19980 1 . ILE 94 94 19980 1 . HIS 95 95 19980 1 . GLY 96 96 19980 1 . GLN 97 97 19980 1 . PHE 98 98 19980 1 . PHE 99 99 19980 1 . ASP 100 100 19980 1 . LEU 101 101 19980 1 . MET 102 102 19980 1 . LYS 103 103 19980 1 . LEU 104 104 19980 1 . PHE 105 105 19980 1 . GLU 106 106 19980 1 . VAL 107 107 19980 1 . GLY 108 108 19980 1 . GLY 109 109 19980 1 . SER 110 110 19980 1 . PRO 111 111 19980 1 . ALA 112 112 19980 1 . ASN 113 113 19980 1 . THR 114 114 19980 1 . ARG 115 115 19980 1 . TYR 116 116 19980 1 . LEU 117 117 19980 1 . PHE 118 118 19980 1 . LEU 119 119 19980 1 . GLY 120 120 19980 1 . ASP 121 121 19980 1 . TYR 122 122 19980 1 . VAL 123 123 19980 1 . ASP 124 124 19980 1 . ARG 125 125 19980 1 . GLY 126 126 19980 1 . TYR 127 127 19980 1 . PHE 128 128 19980 1 . SER 129 129 19980 1 . ILE 130 130 19980 1 . GLU 131 131 19980 1 . CYS 132 132 19980 1 . VAL 133 133 19980 1 . LEU 134 134 19980 1 . TYR 135 135 19980 1 . LEU 136 136 19980 1 . TRP 137 137 19980 1 . ALA 138 138 19980 1 . LEU 139 139 19980 1 . LYS 140 140 19980 1 . ILE 141 141 19980 1 . LEU 142 142 19980 1 . TYR 143 143 19980 1 . PRO 144 144 19980 1 . LYS 145 145 19980 1 . THR 146 146 19980 1 . LEU 147 147 19980 1 . PHE 148 148 19980 1 . LEU 149 149 19980 1 . LEU 150 150 19980 1 . ARG 151 151 19980 1 . GLY 152 152 19980 1 . ASN 153 153 19980 1 . HIS 154 154 19980 1 . GLU 155 155 19980 1 . CYS 156 156 19980 1 . ARG 157 157 19980 1 . HIS 158 158 19980 1 . LEU 159 159 19980 1 . THR 160 160 19980 1 . GLU 161 161 19980 1 . TYR 162 162 19980 1 . PHE 163 163 19980 1 . THR 164 164 19980 1 . PHE 165 165 19980 1 . LYS 166 166 19980 1 . GLN 167 167 19980 1 . GLU 168 168 19980 1 . CYS 169 169 19980 1 . LYS 170 170 19980 1 . ILE 171 171 19980 1 . LYS 172 172 19980 1 . TYR 173 173 19980 1 . SER 174 174 19980 1 . GLU 175 175 19980 1 . ARG 176 176 19980 1 . VAL 177 177 19980 1 . TYR 178 178 19980 1 . ASP 179 179 19980 1 . ALA 180 180 19980 1 . CYS 181 181 19980 1 . MET 182 182 19980 1 . ASP 183 183 19980 1 . ALA 184 184 19980 1 . PHE 185 185 19980 1 . ASP 186 186 19980 1 . CYS 187 187 19980 1 . LEU 188 188 19980 1 . PRO 189 189 19980 1 . LEU 190 190 19980 1 . ALA 191 191 19980 1 . ALA 192 192 19980 1 . LEU 193 193 19980 1 . MET 194 194 19980 1 . ASN 195 195 19980 1 . GLN 196 196 19980 1 . GLN 197 197 19980 1 . PHE 198 198 19980 1 . LEU 199 199 19980 1 . CYS 200 200 19980 1 . VAL 201 201 19980 1 . HIS 202 202 19980 1 . GLY 203 203 19980 1 . GLY 204 204 19980 1 . LEU 205 205 19980 1 . SER 206 206 19980 1 . PRO 207 207 19980 1 . GLU 208 208 19980 1 . ILE 209 209 19980 1 . ASN 210 210 19980 1 . THR 211 211 19980 1 . LEU 212 212 19980 1 . ASP 213 213 19980 1 . ASP 214 214 19980 1 . ILE 215 215 19980 1 . ARG 216 216 19980 1 . LYS 217 217 19980 1 . LEU 218 218 19980 1 . ASP 219 219 19980 1 . ARG 220 220 19980 1 . PHE 221 221 19980 1 . LYS 222 222 19980 1 . GLU 223 223 19980 1 . PRO 224 224 19980 1 . PRO 225 225 19980 1 . ALA 226 226 19980 1 . TYR 227 227 19980 1 . GLY 228 228 19980 1 . PRO 229 229 19980 1 . MET 230 230 19980 1 . CYS 231 231 19980 1 . ASP 232 232 19980 1 . ILE 233 233 19980 1 . LEU 234 234 19980 1 . TRP 235 235 19980 1 . SER 236 236 19980 1 . ASP 237 237 19980 1 . PRO 238 238 19980 1 . LEU 239 239 19980 1 . GLU 240 240 19980 1 . ASP 241 241 19980 1 . PHE 242 242 19980 1 . GLY 243 243 19980 1 . ASN 244 244 19980 1 . GLU 245 245 19980 1 . LYS 246 246 19980 1 . THR 247 247 19980 1 . GLN 248 248 19980 1 . GLU 249 249 19980 1 . HIS 250 250 19980 1 . PHE 251 251 19980 1 . THR 252 252 19980 1 . HIS 253 253 19980 1 . ASN 254 254 19980 1 . THR 255 255 19980 1 . VAL 256 256 19980 1 . ARG 257 257 19980 1 . GLY 258 258 19980 1 . CYS 259 259 19980 1 . SER 260 260 19980 1 . TYR 261 261 19980 1 . PHE 262 262 19980 1 . TYR 263 263 19980 1 . SER 264 264 19980 1 . TYR 265 265 19980 1 . PRO 266 266 19980 1 . ALA 267 267 19980 1 . VAL 268 268 19980 1 . CYS 269 269 19980 1 . GLU 270 270 19980 1 . PHE 271 271 19980 1 . LEU 272 272 19980 1 . GLN 273 273 19980 1 . HIS 274 274 19980 1 . ASN 275 275 19980 1 . ASN 276 276 19980 1 . LEU 277 277 19980 1 . LEU 278 278 19980 1 . SER 279 279 19980 1 . ILE 280 280 19980 1 . LEU 281 281 19980 1 . ARG 282 282 19980 1 . ALA 283 283 19980 1 . HIS 284 284 19980 1 . GLU 285 285 19980 1 . ALA 286 286 19980 1 . GLN 287 287 19980 1 . ASP 288 288 19980 1 . ALA 289 289 19980 1 . GLY 290 290 19980 1 . TYR 291 291 19980 1 . ARG 292 292 19980 1 . MET 293 293 19980 1 . TYR 294 294 19980 1 . ARG 295 295 19980 1 . LYS 296 296 19980 1 . SER 297 297 19980 1 . GLN 298 298 19980 1 . THR 299 299 19980 1 . THR 300 300 19980 1 . GLY 301 301 19980 1 . PHE 302 302 19980 1 . PRO 303 303 19980 1 . SER 304 304 19980 1 . LEU 305 305 19980 1 . ILE 306 306 19980 1 . THR 307 307 19980 1 . ILE 308 308 19980 1 . PHE 309 309 19980 1 . SER 310 310 19980 1 . ALA 311 311 19980 1 . PRO 312 312 19980 1 . ASN 313 313 19980 1 . TYR 314 314 19980 1 . LEU 315 315 19980 1 . ASP 316 316 19980 1 . VAL 317 317 19980 1 . TYR 318 318 19980 1 . ASN 319 319 19980 1 . ASN 320 320 19980 1 . LYS 321 321 19980 1 . ALA 322 322 19980 1 . ALA 323 323 19980 1 . VAL 324 324 19980 1 . LEU 325 325 19980 1 . LYS 326 326 19980 1 . TYR 327 327 19980 1 . GLU 328 328 19980 1 . ASN 329 329 19980 1 . ASN 330 330 19980 1 . VAL 331 331 19980 1 . MET 332 332 19980 1 . ASN 333 333 19980 1 . ILE 334 334 19980 1 . ARG 335 335 19980 1 . GLN 336 336 19980 1 . PHE 337 337 19980 1 . ASN 338 338 19980 1 . CYS 339 339 19980 1 . SER 340 340 19980 1 . PRO 341 341 19980 1 . HIS 342 342 19980 1 . PRO 343 343 19980 1 . SER 344 344 19980 1 . TRP 345 345 19980 1 . ALA 346 346 19980 1 . PRO 347 347 19980 1 . ASN 348 348 19980 1 . PHE 349 349 19980 1 . ASP 350 350 19980 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 19980 _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 $CnA . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19980 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 19980 _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 $CnA . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pGEX-6P . . . . . . 19980 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19980 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CnA '[U-13C; U-15N; U-2H]' . . 1 $CnA . . 0.4 . . mM . . . . 19980 1 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 19980 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 19980 1 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 19980 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19980 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19980 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19980 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CnA '[U-15N; U-2H; 1H14N-Arg]' . . 1 $CnA . . 0.4 . . mM . . . . 19980 2 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 19980 2 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 19980 2 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 19980 2 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19980 2 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19980 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 19980 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CnA '[U-15N; U-2H; 1H14N-Lys]' . . 1 $CnA . . 0.4 . . mM . . . . 19980 3 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 19980 3 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 19980 3 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 19980 3 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19980 3 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19980 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 19980 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CnA '[U-15N; U-2H; 1-13C-Leu]' . . 1 $CnA . . 0.4 . . mM . . . . 19980 4 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 19980 4 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 19980 4 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 19980 4 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19980 4 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19980 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 19980 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CnA '[U-15N; U-2H; 1-13C-Val]' . . 1 $CnA . . 0.4 . . mM . . . . 19980 5 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 19980 5 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 19980 5 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 19980 5 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19980 5 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19980 5 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19980 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.18 . M 19980 1 pH 6.8 . pH 19980 1 pressure 1 . atm 19980 1 temperature 298 . K 19980 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19980 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19980 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19980 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19980 _Software.ID 2 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19980 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19980 2 processing 19980 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19980 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model UnityPlus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19980 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker UnityPlus . 750 . . . 19980 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 19980 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19980 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19980 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19980 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19980 1 5 '3D HNCO' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19980 1 6 '3D HNCO' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19980 1 7 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19980 1 8 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19980 1 9 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19980 1 10 '3D HN(COCA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19980 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19980 1 12 '3D TROSY-hNcaNH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19980 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19980 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19980 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19980 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19980 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19980 1 2 '2D 1H-15N HSQC' . . . 19980 1 3 '2D 1H-15N HSQC' . . . 19980 1 4 '3D HNCO' . . . 19980 1 5 '3D HNCO' . . . 19980 1 6 '3D HNCO' . . . 19980 1 7 '3D HNCA' . . . 19980 1 8 '3D HN(CO)CA' . . . 19980 1 9 '3D HNCACB' . . . 19980 1 10 '3D HN(COCA)CB' . . . 19980 1 11 '3D 1H-15N NOESY' . . . 19980 1 12 '3D TROSY-hNcaNH' . . . 19980 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 19 19 ARG H H 1 6.761 0.016 . 1 . . . . 16 ARG H . 19980 1 2 . 1 1 19 19 ARG N N 15 119.111 0.07 . 1 . . . . 16 ARG N . 19980 1 3 . 1 1 21 21 VAL H H 1 8.576 0.016 . 1 . . . . 18 VAL H . 19980 1 4 . 1 1 21 21 VAL N N 15 116.996 0.07 . 1 . . . . 18 VAL N . 19980 1 5 . 1 1 31 31 ARG H H 1 8.328 0.016 . 1 . . . . 28 ARG H . 19980 1 6 . 1 1 31 31 ARG N N 15 128.006 0.07 . 1 . . . . 28 ARG N . 19980 1 7 . 1 1 32 32 LEU H H 1 7.067 0.016 . 1 . . . . 29 LEU H . 19980 1 8 . 1 1 32 32 LEU N N 15 120.865 0.07 . 1 . . . . 29 LEU N . 19980 1 9 . 1 1 33 33 THR H H 1 8.403 0.016 . 1 . . . . 30 THR H . 19980 1 10 . 1 1 33 33 THR N N 15 113.045 0.07 . 1 . . . . 30 THR N . 19980 1 11 . 1 1 34 34 ALA H H 1 9.132 0.016 . 1 . . . . 31 ALA H . 19980 1 12 . 1 1 34 34 ALA N N 15 123.562 0.07 . 1 . . . . 31 ALA N . 19980 1 13 . 1 1 35 35 LYS H H 1 7.949 0.016 . 1 . . . . 32 LYS H . 19980 1 14 . 1 1 35 35 LYS N N 15 116.108 0.07 . 1 . . . . 32 LYS N . 19980 1 15 . 1 1 36 36 GLU H H 1 7.18 0.016 . 1 . . . . 33 GLU H . 19980 1 16 . 1 1 36 36 GLU N N 15 116.678 0.07 . 1 . . . . 33 GLU N . 19980 1 17 . 1 1 37 37 VAL H H 1 7.485 0.016 . 1 . . . . 34 VAL H . 19980 1 18 . 1 1 37 37 VAL N N 15 116.463 0.07 . 1 . . . . 34 VAL N . 19980 1 19 . 1 1 38 38 PHE H H 1 8.101 0.016 . 1 . . . . 35 PHE H . 19980 1 20 . 1 1 38 38 PHE N N 15 117.751 0.07 . 1 . . . . 35 PHE N . 19980 1 21 . 1 1 39 39 ASP H H 1 8.772 0.016 . 1 . . . . 36 ASP H . 19980 1 22 . 1 1 39 39 ASP N N 15 122.355 0.07 . 1 . . . . 36 ASP N . 19980 1 23 . 1 1 41 41 ASP H H 1 8.199 0.016 . 1 . . . . 38 ASP H . 19980 1 24 . 1 1 41 41 ASP N N 15 118.81 0.07 . 1 . . . . 38 ASP N . 19980 1 25 . 1 1 42 42 GLY H H 1 8.127 0.016 . 1 . . . . 39 GLY H . 19980 1 26 . 1 1 42 42 GLY N N 15 108.708 0.07 . 1 . . . . 39 GLY N . 19980 1 27 . 1 1 43 43 LYS H H 1 8.422 0.016 . 1 . . . . 40 LYS H . 19980 1 28 . 1 1 43 43 LYS N N 15 122.091 0.07 . 1 . . . . 40 LYS N . 19980 1 29 . 1 1 45 45 ARG H H 1 8.761 0.016 . 1 . . . . 42 ARG H . 19980 1 30 . 1 1 45 45 ARG N N 15 123.429 0.07 . 1 . . . . 42 ARG N . 19980 1 31 . 1 1 46 46 VAL H H 1 7.559 0.016 . 1 . . . . 43 VAL H . 19980 1 32 . 1 1 46 46 VAL N N 15 120.221 0.07 . 1 . . . . 43 VAL N . 19980 1 33 . 1 1 47 47 ASP H H 1 9.012 0.016 . 1 . . . . 44 ASP H . 19980 1 34 . 1 1 47 47 ASP N N 15 121.838 0.07 . 1 . . . . 44 ASP N . 19980 1 35 . 1 1 48 48 ILE H H 1 7.16 0.016 . 1 . . . . 45 ILE H . 19980 1 36 . 1 1 48 48 ILE N N 15 123.897 0.07 . 1 . . . . 45 ILE N . 19980 1 37 . 1 1 49 49 LEU H H 1 7.784 0.016 . 1 . . . . 46 LEU H . 19980 1 38 . 1 1 49 49 LEU N N 15 119.214 0.07 . 1 . . . . 46 LEU N . 19980 1 39 . 1 1 50 50 LYS H H 1 8.643 0.016 . 1 . . . . 47 LYS H . 19980 1 40 . 1 1 50 50 LYS N N 15 118.813 0.07 . 1 . . . . 47 LYS N . 19980 1 41 . 1 1 51 51 ALA H H 1 7.294 0.016 . 1 . . . . 48 ALA H . 19980 1 42 . 1 1 51 51 ALA N N 15 117.721 0.07 . 1 . . . . 48 ALA N . 19980 1 43 . 1 1 52 52 HIS H H 1 7.884 0.016 . 1 . . . . 49 HIS H . 19980 1 44 . 1 1 52 52 HIS N N 15 117.089 0.07 . 1 . . . . 49 HIS N . 19980 1 45 . 1 1 53 53 LEU H H 1 8.641 0.016 . 1 . . . . 50 LEU H . 19980 1 46 . 1 1 53 53 LEU N N 15 118.998 0.07 . 1 . . . . 50 LEU N . 19980 1 47 . 1 1 54 54 MET H H 1 8.271 0.016 . 1 . . . . 51 MET H . 19980 1 48 . 1 1 54 54 MET N N 15 116.172 0.07 . 1 . . . . 51 MET N . 19980 1 49 . 1 1 55 55 LYS H H 1 6.972 0.016 . 1 . . . . 52 LYS H . 19980 1 50 . 1 1 55 55 LYS N N 15 117.595 0.07 . 1 . . . . 52 LYS N . 19980 1 51 . 1 1 56 56 GLU H H 1 7.806 0.016 . 1 . . . . 53 GLU H . 19980 1 52 . 1 1 56 56 GLU N N 15 111.828 0.07 . 1 . . . . 53 GLU N . 19980 1 53 . 1 1 57 57 GLY H H 1 7.877 0.016 . 1 . . . . 54 GLY H . 19980 1 54 . 1 1 57 57 GLY N N 15 106.31 0.07 . 1 . . . . 54 GLY N . 19980 1 55 . 1 1 58 58 ARG H H 1 8.887 0.016 . 1 . . . . 55 ARG H . 19980 1 56 . 1 1 58 58 ARG N N 15 118.409 0.07 . 1 . . . . 55 ARG N . 19980 1 57 . 1 1 59 59 LEU H H 1 8.27 0.016 . 1 . . . . 56 LEU H . 19980 1 58 . 1 1 59 59 LEU N N 15 120.904 0.07 . 1 . . . . 56 LEU N . 19980 1 59 . 1 1 60 60 GLU H H 1 8.673 0.016 . 1 . . . . 57 GLU H . 19980 1 60 . 1 1 60 60 GLU N N 15 122.799 0.07 . 1 . . . . 57 GLU N . 19980 1 61 . 1 1 61 61 GLU H H 1 9.315 0.016 . 1 . . . . 58 GLU H . 19980 1 62 . 1 1 61 61 GLU N N 15 128.087 0.07 . 1 . . . . 58 GLU N . 19980 1 63 . 1 1 62 62 SER H H 1 8.865 0.016 . 1 . . . . 59 SER H . 19980 1 64 . 1 1 62 62 SER N N 15 112.022 0.07 . 1 . . . . 59 SER N . 19980 1 65 . 1 1 63 63 VAL H H 1 7.111 0.016 . 1 . . . . 60 VAL H . 19980 1 66 . 1 1 63 63 VAL N N 15 125.267 0.07 . 1 . . . . 60 VAL N . 19980 1 67 . 1 1 65 65 LEU H H 1 8.665 0.016 . 1 . . . . 62 LEU H . 19980 1 68 . 1 1 65 65 LEU N N 15 120.713 0.07 . 1 . . . . 62 LEU N . 19980 1 69 . 1 1 73 73 SER H H 1 7.87 0.016 . 1 . . . . 70 SER H . 19980 1 70 . 1 1 73 73 SER N N 15 112.796 0.07 . 1 . . . . 70 SER N . 19980 1 71 . 1 1 74 74 ILE H H 1 7.054 0.016 . 1 . . . . 71 ILE H . 19980 1 72 . 1 1 74 74 ILE N N 15 122.361 0.07 . 1 . . . . 71 ILE N . 19980 1 73 . 1 1 76 76 ARG H H 1 8.7 0.016 . 1 . . . . 73 ARG H . 19980 1 74 . 1 1 76 76 ARG N N 15 116.41 0.07 . 1 . . . . 73 ARG N . 19980 1 75 . 1 1 77 77 GLN H H 1 7.004 0.016 . 1 . . . . 74 GLN H . 19980 1 76 . 1 1 77 77 GLN N N 15 112.047 0.07 . 1 . . . . 74 GLN N . 19980 1 77 . 1 1 78 78 GLU H H 1 7.74 0.016 . 1 . . . . 75 GLU H . 19980 1 78 . 1 1 78 78 GLU N N 15 120.672 0.07 . 1 . . . . 75 GLU N . 19980 1 79 . 1 1 79 79 LYS H H 1 8.33 0.016 . 1 . . . . 76 LYS H . 19980 1 80 . 1 1 79 79 LYS N N 15 122.48 0.07 . 1 . . . . 76 LYS N . 19980 1 81 . 1 1 80 80 ASN H H 1 7.907 0.016 . 1 . . . . 77 ASN H . 19980 1 82 . 1 1 80 80 ASN N N 15 113.173 0.07 . 1 . . . . 77 ASN N . 19980 1 83 . 1 1 81 81 LEU H H 1 7.398 0.016 . 1 . . . . 78 LEU H . 19980 1 84 . 1 1 81 81 LEU N N 15 116.552 0.07 . 1 . . . . 78 LEU N . 19980 1 85 . 1 1 82 82 LEU H H 1 8.684 0.016 . 1 . . . . 79 LEU H . 19980 1 86 . 1 1 82 82 LEU N N 15 126.103 0.07 . 1 . . . . 79 LEU N . 19980 1 87 . 1 1 83 83 ASP H H 1 8.151 0.016 . 1 . . . . 80 ASP H . 19980 1 88 . 1 1 83 83 ASP N N 15 121.901 0.07 . 1 . . . . 80 ASP N . 19980 1 89 . 1 1 84 84 ILE H H 1 8.028 0.016 . 1 . . . . 81 ILE H . 19980 1 90 . 1 1 84 84 ILE N N 15 122.525 0.07 . 1 . . . . 81 ILE N . 19980 1 91 . 1 1 85 85 ASP H H 1 8.248 0.016 . 1 . . . . 82 ASP H . 19980 1 92 . 1 1 85 85 ASP N N 15 128.088 0.07 . 1 . . . . 82 ASP N . 19980 1 93 . 1 1 86 86 ALA H H 1 8.018 0.016 . 1 . . . . 83 ALA H . 19980 1 94 . 1 1 86 86 ALA N N 15 120.244 0.07 . 1 . . . . 83 ALA N . 19980 1 95 . 1 1 88 88 VAL H H 1 8.225 0.016 . 1 . . . . 85 VAL H . 19980 1 96 . 1 1 88 88 VAL N N 15 120.012 0.07 . 1 . . . . 85 VAL N . 19980 1 97 . 1 1 104 104 LEU H H 1 8.728 0.016 . 1 . . . . 101 LEU H . 19980 1 98 . 1 1 104 104 LEU N N 15 114.216 0.07 . 1 . . . . 101 LEU N . 19980 1 99 . 1 1 105 105 PHE H H 1 7.215 0.016 . 1 . . . . 102 PHE H . 19980 1 100 . 1 1 105 105 PHE N N 15 115.755 0.07 . 1 . . . . 102 PHE N . 19980 1 101 . 1 1 106 106 GLU H H 1 7.412 0.016 . 1 . . . . 103 GLU H . 19980 1 102 . 1 1 106 106 GLU N N 15 122.059 0.07 . 1 . . . . 103 GLU N . 19980 1 103 . 1 1 107 107 VAL H H 1 7.689 0.016 . 1 . . . . 104 VAL H . 19980 1 104 . 1 1 107 107 VAL N N 15 118.541 0.07 . 1 . . . . 104 VAL N . 19980 1 105 . 1 1 108 108 GLY H H 1 9.197 0.016 . 1 . . . . 105 GLY H . 19980 1 106 . 1 1 108 108 GLY N N 15 107.738 0.07 . 1 . . . . 105 GLY N . 19980 1 107 . 1 1 109 109 GLY H H 1 7.366 0.016 . 1 . . . . 106 GLY H . 19980 1 108 . 1 1 109 109 GLY N N 15 107.742 0.07 . 1 . . . . 106 GLY N . 19980 1 109 . 1 1 110 110 SER H H 1 8.556 0.016 . 1 . . . . 107 SER H . 19980 1 110 . 1 1 110 110 SER N N 15 117.103 0.07 . 1 . . . . 107 SER N . 19980 1 111 . 1 1 112 112 ALA H H 1 7.507 0.016 . 1 . . . . 109 ALA H . 19980 1 112 . 1 1 112 112 ALA N N 15 118.214 0.07 . 1 . . . . 109 ALA N . 19980 1 113 . 1 1 113 113 ASN H H 1 7.403 0.016 . 1 . . . . 110 ASN H . 19980 1 114 . 1 1 113 113 ASN N N 15 111.197 0.07 . 1 . . . . 110 ASN N . 19980 1 115 . 1 1 114 114 THR H H 1 7.144 0.016 . 1 . . . . 111 THR H . 19980 1 116 . 1 1 114 114 THR N N 15 118.424 0.07 . 1 . . . . 111 THR N . 19980 1 117 . 1 1 115 115 ARG H H 1 8.549 0.016 . 1 . . . . 112 ARG H . 19980 1 118 . 1 1 115 115 ARG N N 15 127.425 0.07 . 1 . . . . 112 ARG N . 19980 1 119 . 1 1 116 116 TYR H H 1 7.061 0.016 . 1 . . . . 113 TYR H . 19980 1 120 . 1 1 116 116 TYR N N 15 119.317 0.07 . 1 . . . . 113 TYR N . 19980 1 121 . 1 1 117 117 LEU H H 1 9.636 0.016 . 1 . . . . 114 LEU H . 19980 1 122 . 1 1 117 117 LEU N N 15 125.061 0.07 . 1 . . . . 114 LEU N . 19980 1 123 . 1 1 145 145 LYS H H 1 8.351 0.016 . 1 . . . . 142 LYS H . 19980 1 124 . 1 1 145 145 LYS N N 15 114.938 0.07 . 1 . . . . 142 LYS N . 19980 1 125 . 1 1 146 146 THR H H 1 7.106 0.016 . 1 . . . . 143 THR H . 19980 1 126 . 1 1 146 146 THR N N 15 106.755 0.07 . 1 . . . . 143 THR N . 19980 1 127 . 1 1 176 176 ARG H H 1 8.076 0.016 . 1 . . . . 173 ARG H . 19980 1 128 . 1 1 176 176 ARG N N 15 119.246 0.07 . 1 . . . . 173 ARG N . 19980 1 129 . 1 1 177 177 VAL H H 1 7.227 0.016 . 1 . . . . 174 VAL H . 19980 1 130 . 1 1 177 177 VAL N N 15 119.909 0.07 . 1 . . . . 174 VAL N . 19980 1 131 . 1 1 178 178 TYR H H 1 6.957 0.016 . 1 . . . . 175 TYR H . 19980 1 132 . 1 1 178 178 TYR N N 15 121.455 0.07 . 1 . . . . 175 TYR N . 19980 1 133 . 1 1 179 179 ASP H H 1 8.723 0.016 . 1 . . . . 176 ASP H . 19980 1 134 . 1 1 179 179 ASP N N 15 120.779 0.07 . 1 . . . . 176 ASP N . 19980 1 135 . 1 1 180 180 ALA H H 1 7.603 0.016 . 1 . . . . 177 ALA H . 19980 1 136 . 1 1 180 180 ALA N N 15 121.838 0.07 . 1 . . . . 177 ALA N . 19980 1 137 . 1 1 195 195 ASN H H 1 9.784 0.016 . 1 . . . . 192 ASN H . 19980 1 138 . 1 1 195 195 ASN N N 15 130.844 0.07 . 1 . . . . 192 ASN N . 19980 1 139 . 1 1 196 196 GLN H H 1 8.75 0.016 . 1 . . . . 193 GLN H . 19980 1 140 . 1 1 196 196 GLN N N 15 109.044 0.07 . 1 . . . . 193 GLN N . 19980 1 141 . 1 1 197 197 GLN H H 1 7.812 0.016 . 1 . . . . 194 GLN H . 19980 1 142 . 1 1 197 197 GLN N N 15 115.512 0.07 . 1 . . . . 194 GLN N . 19980 1 143 . 1 1 208 208 GLU H H 1 7.897 0.016 . 1 . . . . 205 GLU H . 19980 1 144 . 1 1 208 208 GLU N N 15 119.924 0.07 . 1 . . . . 205 GLU N . 19980 1 145 . 1 1 209 209 ILE H H 1 7.506 0.016 . 1 . . . . 206 ILE H . 19980 1 146 . 1 1 209 209 ILE N N 15 121.167 0.07 . 1 . . . . 206 ILE N . 19980 1 147 . 1 1 211 211 THR H H 1 8.326 0.016 . 1 . . . . 208 THR H . 19980 1 148 . 1 1 211 211 THR N N 15 111.661 0.07 . 1 . . . . 208 THR N . 19980 1 149 . 1 1 212 212 LEU H H 1 7.302 0.016 . 1 . . . . 209 LEU H . 19980 1 150 . 1 1 212 212 LEU N N 15 117.979 0.07 . 1 . . . . 209 LEU N . 19980 1 151 . 1 1 213 213 ASP H H 1 8.079 0.016 . 1 . . . . 210 ASP H . 19980 1 152 . 1 1 213 213 ASP N N 15 119.862 0.07 . 1 . . . . 210 ASP N . 19980 1 153 . 1 1 214 214 ASP H H 1 7.599 0.016 . 1 . . . . 211 ASP H . 19980 1 154 . 1 1 214 214 ASP N N 15 118.64 0.07 . 1 . . . . 211 ASP N . 19980 1 155 . 1 1 215 215 ILE H H 1 7.236 0.016 . 1 . . . . 212 ILE H . 19980 1 156 . 1 1 215 215 ILE N N 15 116.569 0.07 . 1 . . . . 212 ILE N . 19980 1 157 . 1 1 216 216 ARG H H 1 7.467 0.016 . 1 . . . . 213 ARG H . 19980 1 158 . 1 1 216 216 ARG N N 15 119.305 0.07 . 1 . . . . 213 ARG N . 19980 1 159 . 1 1 217 217 LYS H H 1 7.32 0.016 . 1 . . . . 214 LYS H . 19980 1 160 . 1 1 217 217 LYS N N 15 113.415 0.07 . 1 . . . . 214 LYS N . 19980 1 161 . 1 1 218 218 LEU H H 1 6.633 0.016 . 1 . . . . 215 LEU H . 19980 1 162 . 1 1 218 218 LEU N N 15 118.261 0.07 . 1 . . . . 215 LEU N . 19980 1 163 . 1 1 220 220 ARG H H 1 8.331 0.016 . 1 . . . . 217 ARG H . 19980 1 164 . 1 1 220 220 ARG N N 15 123.927 0.07 . 1 . . . . 217 ARG N . 19980 1 165 . 1 1 221 221 PHE H H 1 7.255 0.016 . 1 . . . . 218 PHE H . 19980 1 166 . 1 1 221 221 PHE N N 15 120.433 0.07 . 1 . . . . 218 PHE N . 19980 1 167 . 1 1 222 222 LYS H H 1 9.046 0.016 . 1 . . . . 219 LYS H . 19980 1 168 . 1 1 222 222 LYS N N 15 121.248 0.07 . 1 . . . . 219 LYS N . 19980 1 169 . 1 1 223 223 GLU H H 1 7.974 0.016 . 1 . . . . 220 GLU H . 19980 1 170 . 1 1 223 223 GLU N N 15 122.686 0.07 . 1 . . . . 220 GLU N . 19980 1 171 . 1 1 226 226 ALA H H 1 8.268 0.016 . 1 . . . . 223 ALA H . 19980 1 172 . 1 1 226 226 ALA N N 15 120.109 0.07 . 1 . . . . 223 ALA N . 19980 1 173 . 1 1 227 227 TYR H H 1 6.95 0.016 . 1 . . . . 224 TYR H . 19980 1 174 . 1 1 227 227 TYR N N 15 111.4 0.07 . 1 . . . . 224 TYR N . 19980 1 175 . 1 1 228 228 GLY H H 1 8.923 0.016 . 1 . . . . 225 GLY H . 19980 1 176 . 1 1 228 228 GLY N N 15 111.498 0.07 . 1 . . . . 225 GLY N . 19980 1 177 . 1 1 242 242 PHE H H 1 7.048 0.016 . 1 . . . . 239 PHE H . 19980 1 178 . 1 1 242 242 PHE N N 15 119.322 0.07 . 1 . . . . 239 PHE N . 19980 1 179 . 1 1 243 243 GLY H H 1 9.529 0.016 . 1 . . . . 240 GLY H . 19980 1 180 . 1 1 243 243 GLY N N 15 123.582 0.07 . 1 . . . . 240 GLY N . 19980 1 181 . 1 1 244 244 ASN H H 1 8.578 0.016 . 1 . . . . 241 ASN H . 19980 1 182 . 1 1 244 244 ASN N N 15 121.306 0.07 . 1 . . . . 241 ASN N . 19980 1 183 . 1 1 245 245 GLU H H 1 9.379 0.016 . 1 . . . . 242 GLU H . 19980 1 184 . 1 1 245 245 GLU N N 15 121.824 0.07 . 1 . . . . 242 GLU N . 19980 1 185 . 1 1 246 246 LYS H H 1 8.872 0.016 . 1 . . . . 243 LYS H . 19980 1 186 . 1 1 246 246 LYS N N 15 120.619 0.07 . 1 . . . . 243 LYS N . 19980 1 187 . 1 1 247 247 THR H H 1 7.4 0.016 . 1 . . . . 244 THR H . 19980 1 188 . 1 1 247 247 THR N N 15 111.115 0.07 . 1 . . . . 244 THR N . 19980 1 189 . 1 1 272 272 LEU H H 1 9.037 0.016 . 1 . . . . 269 LEU H . 19980 1 190 . 1 1 272 272 LEU N N 15 120.135 0.07 . 1 . . . . 269 LEU N . 19980 1 191 . 1 1 273 273 GLN H H 1 7.967 0.016 . 1 . . . . 270 GLN H . 19980 1 192 . 1 1 273 273 GLN N N 15 117.605 0.07 . 1 . . . . 270 GLN N . 19980 1 193 . 1 1 274 274 HIS H H 1 8.296 0.016 . 1 . . . . 271 HIS H . 19980 1 194 . 1 1 274 274 HIS N N 15 117.05 0.07 . 1 . . . . 271 HIS N . 19980 1 195 . 1 1 275 275 ASN H H 1 7.063 0.016 . 1 . . . . 272 ASN H . 19980 1 196 . 1 1 275 275 ASN N N 15 111.77 0.07 . 1 . . . . 272 ASN N . 19980 1 197 . 1 1 276 276 ASN H H 1 7.469 0.016 . 1 . . . . 273 ASN H . 19980 1 198 . 1 1 276 276 ASN N N 15 117.832 0.07 . 1 . . . . 273 ASN N . 19980 1 199 . 1 1 277 277 LEU H H 1 8.255 0.016 . 1 . . . . 274 LEU H . 19980 1 200 . 1 1 277 277 LEU N N 15 116.725 0.07 . 1 . . . . 274 LEU N . 19980 1 201 . 1 1 279 279 SER H H 1 7.721 0.016 . 1 . . . . 276 SER H . 19980 1 202 . 1 1 279 279 SER N N 15 117.554 0.07 . 1 . . . . 276 SER N . 19980 1 203 . 1 1 280 280 ILE H H 1 9.319 0.016 . 1 . . . . 277 ILE H . 19980 1 204 . 1 1 280 280 ILE N N 15 123.413 0.07 . 1 . . . . 277 ILE N . 19980 1 205 . 1 1 295 295 ARG H H 1 8.112 0.016 . 1 . . . . 292 ARG H . 19980 1 206 . 1 1 295 295 ARG N N 15 118.239 0.07 . 1 . . . . 292 ARG N . 19980 1 207 . 1 1 296 296 LYS H H 1 8.796 0.016 . 1 . . . . 293 LYS H . 19980 1 208 . 1 1 296 296 LYS N N 15 128.204 0.07 . 1 . . . . 293 LYS N . 19980 1 209 . 1 1 297 297 SER H H 1 8.287 0.016 . 1 . . . . 294 SER H . 19980 1 210 . 1 1 297 297 SER N N 15 119.004 0.07 . 1 . . . . 294 SER N . 19980 1 211 . 1 1 299 299 THR H H 1 7.371 0.016 . 1 . . . . 296 THR H . 19980 1 212 . 1 1 299 299 THR N N 15 109.277 0.07 . 1 . . . . 296 THR N . 19980 1 213 . 1 1 301 301 GLY H H 1 7.92 0.016 . 1 . . . . 298 GLY H . 19980 1 214 . 1 1 301 301 GLY N N 15 109.408 0.07 . 1 . . . . 298 GLY N . 19980 1 215 . 1 1 302 302 PHE H H 1 8.294 0.016 . 1 . . . . 299 PHE H . 19980 1 216 . 1 1 302 302 PHE N N 15 122.661 0.07 . 1 . . . . 299 PHE N . 19980 1 217 . 1 1 326 326 LYS H H 1 9.074 0.016 . 1 . . . . 323 LYS H . 19980 1 218 . 1 1 326 326 LYS N N 15 126.768 0.07 . 1 . . . . 323 LYS N . 19980 1 219 . 1 1 327 327 TYR H H 1 8.82 0.016 . 1 . . . . 324 TYR H . 19980 1 220 . 1 1 327 327 TYR N N 15 128.963 0.07 . 1 . . . . 324 TYR N . 19980 1 221 . 1 1 328 328 GLU H H 1 7.74 0.016 . 1 . . . . 325 GLU H . 19980 1 222 . 1 1 328 328 GLU N N 15 125.057 0.07 . 1 . . . . 325 GLU N . 19980 1 223 . 1 1 329 329 ASN H H 1 9.508 0.016 . 1 . . . . 326 ASN H . 19980 1 224 . 1 1 329 329 ASN N N 15 124.314 0.07 . 1 . . . . 326 ASN N . 19980 1 225 . 1 1 330 330 ASN H H 1 8.082 0.016 . 1 . . . . 327 ASN H . 19980 1 226 . 1 1 330 330 ASN N N 15 108.356 0.07 . 1 . . . . 327 ASN N . 19980 1 227 . 1 1 331 331 VAL H H 1 7.553 0.016 . 1 . . . . 328 VAL H . 19980 1 228 . 1 1 331 331 VAL N N 15 119.653 0.07 . 1 . . . . 328 VAL N . 19980 1 229 . 1 1 332 332 MET H H 1 8.644 0.016 . 1 . . . . 329 MET H . 19980 1 230 . 1 1 332 332 MET N N 15 123.912 0.07 . 1 . . . . 329 MET N . 19980 1 231 . 1 1 333 333 ASN H H 1 8.696 0.016 . 1 . . . . 330 ASN H . 19980 1 232 . 1 1 333 333 ASN N N 15 123.879 0.07 . 1 . . . . 330 ASN N . 19980 1 233 . 1 1 334 334 ILE H H 1 8.544 0.016 . 1 . . . . 331 ILE H . 19980 1 234 . 1 1 334 334 ILE N N 15 125.061 0.07 . 1 . . . . 331 ILE N . 19980 1 235 . 1 1 335 335 ARG H H 1 8.407 0.016 . 1 . . . . 332 ARG H . 19980 1 236 . 1 1 335 335 ARG N N 15 127.146 0.07 . 1 . . . . 332 ARG N . 19980 1 237 . 1 1 336 336 GLN H H 1 9.653 0.016 . 1 . . . . 333 GLN H . 19980 1 238 . 1 1 336 336 GLN N N 15 130.212 0.07 . 1 . . . . 333 GLN N . 19980 1 239 . 1 1 337 337 PHE H H 1 8.778 0.016 . 1 . . . . 334 PHE H . 19980 1 240 . 1 1 337 337 PHE N N 15 116.027 0.07 . 1 . . . . 334 PHE N . 19980 1 241 . 1 1 338 338 ASN H H 1 8.512 0.016 . 1 . . . . 335 ASN H . 19980 1 242 . 1 1 338 338 ASN N N 15 117.981 0.07 . 1 . . . . 335 ASN N . 19980 1 243 . 1 1 339 339 CYS H H 1 8.255 0.016 . 1 . . . . 336 CYS H . 19980 1 244 . 1 1 339 339 CYS N N 15 115.633 0.07 . 1 . . . . 336 CYS N . 19980 1 245 . 1 1 349 349 PHE H H 1 8.04 0.016 . 1 . . . . 346 PHE H . 19980 1 246 . 1 1 349 349 PHE N N 15 121.166 0.07 . 1 . . . . 346 PHE N . 19980 1 247 . 1 1 350 350 ASP H H 1 7.85 0.016 . 1 . . . . 347 ASP H . 19980 1 248 . 1 1 350 350 ASP N N 15 126.796 0.07 . 1 . . . . 347 ASP N . 19980 1 stop_ save_