data_15425 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15425 _Entry.Title ; Partial chemical shift assignments of the N-terminal deletion mutant KChIP4a(Delta1-42) in its Ca2+- and Mg2+-loaded form ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-08-09 _Entry.Accession_date 2007-08-09 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _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 Jochen Schwenk . . . 15425 2 Nikolaos Kandias . G. . 15425 3 Isabel Neubauer . . . 15425 4 Bernd Fakler . . . 15425 5 Detlef Bentrop . . . 15425 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15425 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 393 15425 '15N chemical shifts' 135 15425 '1H chemical shifts' 135 15425 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2008-07-03 2007-08-09 update BMRB 'complete entry citation' 15425 1 . . 2007-10-03 2007-08-09 original author 'original release' 15425 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15422 KChIP4a 15425 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15425 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18458082 _Citation.Full_citation . _Citation.Title 'NMR Analysis of KChIP4a Reveals Structural Basis for Control of Surface Expression of Kv4 Channel Complexes' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 283 _Citation.Journal_issue 27 _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 18937 _Citation.Page_last 18946 _Citation.Year 2008 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Jochen Schwenk . . . 15425 1 2 Gerd Zolles . . . 15425 1 3 Nikolaos Kandias . G. . 15425 1 4 Isabel Neubauer . . . 15425 1 5 Hubert Kalbacher . . . 15425 1 6 Manuel Covarrubias . . . 15425 1 7 Bernd Fakler . . . 15425 1 8 Detlef Bentrop . . . 15425 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15425 _Assembly.ID 1 _Assembly.Name KChIP4a(Delta1-42) _Assembly.BMRB_code . _Assembly.Number_of_components 4 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 23200 _Assembly.Enzyme_commission_number . _Assembly.Details ; N-terminal deletion mutant KChIP4a(Delta1-42) with EF-hand 2 loaded with Mg2+ and EF-hands 3 and 4 loaded with Ca2+ ; _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 KChIP4a(Delta1-42) 1 $KChIP4a(Delta1-42) A . yes native no no . . . 15425 1 2 ligand1 2 $CA B . no native no no . . . 15425 1 3 ligand2 2 $CA B . no native no no . . . 15425 1 4 ligand3 3 $MG C . no native no no . . . 15425 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_KChIP4a(Delta1-42) _Entity.Sf_category entity _Entity.Sf_framecode KChIP4a(Delta1-42) _Entity.Entry_ID 15425 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name KChIP4a(Delta1-42) _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 ; GSTMGHHHHHHATVRHRPEA LELLEAQSKFTKKELQILYR GFKNECPSGVVNEETFKEIY SQFFPQGDSTTYAHFLFNAF DTDHNGAVSFEDFIKGLSIL LRGTVQEKLNWAFNLYDINK DGYITKEEMLDIMKAIYDMM GKCTYPVLKEDAPRQHVETF FQKMDKNKDGVVTIDEFIES CQKDENIMRSMQLFENVI ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'The first eleven residues are numbered 32 to 42 so that residue 43 is A, 44 is T , 45 is V etc. In this way, the residue numbering is identical to the wild-type protein in Swiss-Prot entry Q6PHZ8-4.' _Entity.Polymer_author_seq_details 'The first eleven residues represent a cloning artefact from a thrombin site and a non-native affinity tag. This is a N-terminal deletion mutant (Delta1-42) of KChIP4a.' _Entity.Ambiguous_conformational_states yes _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 198 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 3DD4 . "Structural Basis Of Kchip4a Modulation Of Kv4.3 Slow Inactivation" . . . . . 94.44 229 100.00 100.00 5.93e-136 . . . . 15425 1 2 no DBJ BAC30218 . "unnamed protein product [Mus musculus]" . . . . . 94.44 229 99.47 100.00 2.48e-135 . . . . 15425 1 3 no DBJ BAE21645 . "unnamed protein product [Mus musculus]" . . . . . 94.44 188 100.00 100.00 6.00e-136 . . . . 15425 1 4 no DBJ BAE28641 . "unnamed protein product [Mus musculus]" . . . . . 94.44 225 100.00 100.00 1.07e-135 . . . . 15425 1 5 no DBJ BAE38374 . "unnamed protein product [Mus musculus]" . . . . . 94.44 229 100.00 100.00 5.93e-136 . . . . 15425 1 6 no DBJ BAE90434 . "unnamed protein product [Macaca fascicularis]" . . . . . 94.44 250 100.00 100.00 9.92e-137 . . . . 15425 1 7 no EMBL CAH90097 . "hypothetical protein [Pongo abelii]" . . . . . 94.44 216 98.93 98.93 8.37e-135 . . . . 15425 1 8 no GB AAG36974 . "calsenilin-like protein [Homo sapiens]" . . . . . 94.44 216 100.00 100.00 1.43e-136 . . . . 15425 1 9 no GB AAG36976 . "calsenilin-like protein [Mus musculus]" . . . . . 94.44 250 100.00 100.00 1.69e-136 . . . . 15425 1 10 no GB AAG36977 . "calsenilin-like protein [Homo sapiens]" . . . . . 94.44 250 100.00 100.00 1.52e-136 . . . . 15425 1 11 no GB AAH32520 . "Kv channel interacting protein 4 [Homo sapiens]" . . . . . 94.44 250 100.00 100.00 9.92e-137 . . . . 15425 1 12 no GB AAH51130 . "Kcnip4 protein [Mus musculus]" . . . . . 94.44 250 100.00 100.00 1.30e-136 . . . . 15425 1 13 no REF NP_001030175 . "Kv channel-interacting protein 4 isoform 5 [Homo sapiens]" . . . . . 94.44 225 100.00 100.00 1.07e-135 . . . . 15425 1 14 no REF NP_001030176 . "Kv channel-interacting protein 4 isoform 3 [Homo sapiens]" . . . . . 94.44 188 100.00 100.00 6.00e-136 . . . . 15425 1 15 no REF NP_001070403 . "Kv channel-interacting protein 4 [Bos taurus]" . . . . . 94.44 250 99.47 100.00 3.76e-136 . . . . 15425 1 16 no REF NP_001127236 . "Kv channel-interacting protein 4 [Pongo abelii]" . . . . . 94.44 216 98.93 98.93 8.37e-135 . . . . 15425 1 17 no REF NP_001186171 . "Kv channel-interacting protein 4 isoform 1 [Mus musculus]" . . . . . 94.44 250 100.00 100.00 1.30e-136 . . . . 15425 1 18 no SP Q2KI69 . "RecName: Full=Kv channel-interacting protein 4; Short=KChIP4" . . . . . 94.44 250 99.47 100.00 3.76e-136 . . . . 15425 1 19 no SP Q6PHZ8 . "RecName: Full=Kv channel-interacting protein 4; Short=KChIP4; AltName: Full=A-type potassium channel modulatory protein 4; AltN" . . . . . 94.44 250 100.00 100.00 1.30e-136 . . . . 15425 1 20 no SP Q6PIL6 . "RecName: Full=Kv channel-interacting protein 4; Short=KChIP4; AltName: Full=A-type potassium channel modulatory protein 4; AltN" . . . . . 94.44 250 100.00 100.00 9.92e-137 . . . . 15425 1 21 no SP Q8HYN7 . "RecName: Full=Kv channel-interacting protein 4; Short=KChIP4; AltName: Full=A-type potassium channel modulatory protein 4; AltN" . . . . . 94.44 250 100.00 100.00 9.92e-137 . . . . 15425 1 22 no SP Q99MG9 . "RecName: Full=Kv channel-interacting protein 4; Short=KChIP4; AltName: Full=A-type potassium channel modulatory protein 4; AltN" . . . . . 94.44 250 100.00 100.00 1.30e-136 . . . . 15425 1 23 no TPG DAA28811 . "TPA: kv channel-interacting protein 4 [Bos taurus]" . . . . . 94.44 250 99.47 100.00 3.76e-136 . . . . 15425 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'inactivation kinetics' 15425 1 'recovery from inactivation' 15425 1 'regulatory subunit of Kv4 channels' 15425 1 'surface expression' 15425 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 32 GLY . 15425 1 2 33 SER . 15425 1 3 34 THR . 15425 1 4 35 MET . 15425 1 5 36 GLY . 15425 1 6 37 HIS . 15425 1 7 38 HIS . 15425 1 8 39 HIS . 15425 1 9 40 HIS . 15425 1 10 41 HIS . 15425 1 11 42 HIS . 15425 1 12 43 ALA . 15425 1 13 44 THR . 15425 1 14 45 VAL . 15425 1 15 46 ARG . 15425 1 16 47 HIS . 15425 1 17 48 ARG . 15425 1 18 49 PRO . 15425 1 19 50 GLU . 15425 1 20 51 ALA . 15425 1 21 52 LEU . 15425 1 22 53 GLU . 15425 1 23 54 LEU . 15425 1 24 55 LEU . 15425 1 25 56 GLU . 15425 1 26 57 ALA . 15425 1 27 58 GLN . 15425 1 28 59 SER . 15425 1 29 60 LYS . 15425 1 30 61 PHE . 15425 1 31 62 THR . 15425 1 32 63 LYS . 15425 1 33 64 LYS . 15425 1 34 65 GLU . 15425 1 35 66 LEU . 15425 1 36 67 GLN . 15425 1 37 68 ILE . 15425 1 38 69 LEU . 15425 1 39 70 TYR . 15425 1 40 71 ARG . 15425 1 41 72 GLY . 15425 1 42 73 PHE . 15425 1 43 74 LYS . 15425 1 44 75 ASN . 15425 1 45 76 GLU . 15425 1 46 77 CYS . 15425 1 47 78 PRO . 15425 1 48 79 SER . 15425 1 49 80 GLY . 15425 1 50 81 VAL . 15425 1 51 82 VAL . 15425 1 52 83 ASN . 15425 1 53 84 GLU . 15425 1 54 85 GLU . 15425 1 55 86 THR . 15425 1 56 87 PHE . 15425 1 57 88 LYS . 15425 1 58 89 GLU . 15425 1 59 90 ILE . 15425 1 60 91 TYR . 15425 1 61 92 SER . 15425 1 62 93 GLN . 15425 1 63 94 PHE . 15425 1 64 95 PHE . 15425 1 65 96 PRO . 15425 1 66 97 GLN . 15425 1 67 98 GLY . 15425 1 68 99 ASP . 15425 1 69 100 SER . 15425 1 70 101 THR . 15425 1 71 102 THR . 15425 1 72 103 TYR . 15425 1 73 104 ALA . 15425 1 74 105 HIS . 15425 1 75 106 PHE . 15425 1 76 107 LEU . 15425 1 77 108 PHE . 15425 1 78 109 ASN . 15425 1 79 110 ALA . 15425 1 80 111 PHE . 15425 1 81 112 ASP . 15425 1 82 113 THR . 15425 1 83 114 ASP . 15425 1 84 115 HIS . 15425 1 85 116 ASN . 15425 1 86 117 GLY . 15425 1 87 118 ALA . 15425 1 88 119 VAL . 15425 1 89 120 SER . 15425 1 90 121 PHE . 15425 1 91 122 GLU . 15425 1 92 123 ASP . 15425 1 93 124 PHE . 15425 1 94 125 ILE . 15425 1 95 126 LYS . 15425 1 96 127 GLY . 15425 1 97 128 LEU . 15425 1 98 129 SER . 15425 1 99 130 ILE . 15425 1 100 131 LEU . 15425 1 101 132 LEU . 15425 1 102 133 ARG . 15425 1 103 134 GLY . 15425 1 104 135 THR . 15425 1 105 136 VAL . 15425 1 106 137 GLN . 15425 1 107 138 GLU . 15425 1 108 139 LYS . 15425 1 109 140 LEU . 15425 1 110 141 ASN . 15425 1 111 142 TRP . 15425 1 112 143 ALA . 15425 1 113 144 PHE . 15425 1 114 145 ASN . 15425 1 115 146 LEU . 15425 1 116 147 TYR . 15425 1 117 148 ASP . 15425 1 118 149 ILE . 15425 1 119 150 ASN . 15425 1 120 151 LYS . 15425 1 121 152 ASP . 15425 1 122 153 GLY . 15425 1 123 154 TYR . 15425 1 124 155 ILE . 15425 1 125 156 THR . 15425 1 126 157 LYS . 15425 1 127 158 GLU . 15425 1 128 159 GLU . 15425 1 129 160 MET . 15425 1 130 161 LEU . 15425 1 131 162 ASP . 15425 1 132 163 ILE . 15425 1 133 164 MET . 15425 1 134 165 LYS . 15425 1 135 166 ALA . 15425 1 136 167 ILE . 15425 1 137 168 TYR . 15425 1 138 169 ASP . 15425 1 139 170 MET . 15425 1 140 171 MET . 15425 1 141 172 GLY . 15425 1 142 173 LYS . 15425 1 143 174 CYS . 15425 1 144 175 THR . 15425 1 145 176 TYR . 15425 1 146 177 PRO . 15425 1 147 178 VAL . 15425 1 148 179 LEU . 15425 1 149 180 LYS . 15425 1 150 181 GLU . 15425 1 151 182 ASP . 15425 1 152 183 ALA . 15425 1 153 184 PRO . 15425 1 154 185 ARG . 15425 1 155 186 GLN . 15425 1 156 187 HIS . 15425 1 157 188 VAL . 15425 1 158 189 GLU . 15425 1 159 190 THR . 15425 1 160 191 PHE . 15425 1 161 192 PHE . 15425 1 162 193 GLN . 15425 1 163 194 LYS . 15425 1 164 195 MET . 15425 1 165 196 ASP . 15425 1 166 197 LYS . 15425 1 167 198 ASN . 15425 1 168 199 LYS . 15425 1 169 200 ASP . 15425 1 170 201 GLY . 15425 1 171 202 VAL . 15425 1 172 203 VAL . 15425 1 173 204 THR . 15425 1 174 205 ILE . 15425 1 175 206 ASP . 15425 1 176 207 GLU . 15425 1 177 208 PHE . 15425 1 178 209 ILE . 15425 1 179 210 GLU . 15425 1 180 211 SER . 15425 1 181 212 CYS . 15425 1 182 213 GLN . 15425 1 183 214 LYS . 15425 1 184 215 ASP . 15425 1 185 216 GLU . 15425 1 186 217 ASN . 15425 1 187 218 ILE . 15425 1 188 219 MET . 15425 1 189 220 ARG . 15425 1 190 221 SER . 15425 1 191 222 MET . 15425 1 192 223 GLN . 15425 1 193 224 LEU . 15425 1 194 225 PHE . 15425 1 195 226 GLU . 15425 1 196 227 ASN . 15425 1 197 228 VAL . 15425 1 198 229 ILE . 15425 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 15425 1 . SER 2 2 15425 1 . THR 3 3 15425 1 . MET 4 4 15425 1 . GLY 5 5 15425 1 . HIS 6 6 15425 1 . HIS 7 7 15425 1 . HIS 8 8 15425 1 . HIS 9 9 15425 1 . HIS 10 10 15425 1 . HIS 11 11 15425 1 . ALA 12 12 15425 1 . THR 13 13 15425 1 . VAL 14 14 15425 1 . ARG 15 15 15425 1 . HIS 16 16 15425 1 . ARG 17 17 15425 1 . PRO 18 18 15425 1 . GLU 19 19 15425 1 . ALA 20 20 15425 1 . LEU 21 21 15425 1 . GLU 22 22 15425 1 . LEU 23 23 15425 1 . LEU 24 24 15425 1 . GLU 25 25 15425 1 . ALA 26 26 15425 1 . GLN 27 27 15425 1 . SER 28 28 15425 1 . LYS 29 29 15425 1 . PHE 30 30 15425 1 . THR 31 31 15425 1 . LYS 32 32 15425 1 . LYS 33 33 15425 1 . GLU 34 34 15425 1 . LEU 35 35 15425 1 . GLN 36 36 15425 1 . ILE 37 37 15425 1 . LEU 38 38 15425 1 . TYR 39 39 15425 1 . ARG 40 40 15425 1 . GLY 41 41 15425 1 . PHE 42 42 15425 1 . LYS 43 43 15425 1 . ASN 44 44 15425 1 . GLU 45 45 15425 1 . CYS 46 46 15425 1 . PRO 47 47 15425 1 . SER 48 48 15425 1 . GLY 49 49 15425 1 . VAL 50 50 15425 1 . VAL 51 51 15425 1 . ASN 52 52 15425 1 . GLU 53 53 15425 1 . GLU 54 54 15425 1 . THR 55 55 15425 1 . PHE 56 56 15425 1 . LYS 57 57 15425 1 . GLU 58 58 15425 1 . ILE 59 59 15425 1 . TYR 60 60 15425 1 . SER 61 61 15425 1 . GLN 62 62 15425 1 . PHE 63 63 15425 1 . PHE 64 64 15425 1 . PRO 65 65 15425 1 . GLN 66 66 15425 1 . GLY 67 67 15425 1 . ASP 68 68 15425 1 . SER 69 69 15425 1 . THR 70 70 15425 1 . THR 71 71 15425 1 . TYR 72 72 15425 1 . ALA 73 73 15425 1 . HIS 74 74 15425 1 . PHE 75 75 15425 1 . LEU 76 76 15425 1 . PHE 77 77 15425 1 . ASN 78 78 15425 1 . ALA 79 79 15425 1 . PHE 80 80 15425 1 . ASP 81 81 15425 1 . THR 82 82 15425 1 . ASP 83 83 15425 1 . HIS 84 84 15425 1 . ASN 85 85 15425 1 . GLY 86 86 15425 1 . ALA 87 87 15425 1 . VAL 88 88 15425 1 . SER 89 89 15425 1 . PHE 90 90 15425 1 . GLU 91 91 15425 1 . ASP 92 92 15425 1 . PHE 93 93 15425 1 . ILE 94 94 15425 1 . LYS 95 95 15425 1 . GLY 96 96 15425 1 . LEU 97 97 15425 1 . SER 98 98 15425 1 . ILE 99 99 15425 1 . LEU 100 100 15425 1 . LEU 101 101 15425 1 . ARG 102 102 15425 1 . GLY 103 103 15425 1 . THR 104 104 15425 1 . VAL 105 105 15425 1 . GLN 106 106 15425 1 . GLU 107 107 15425 1 . LYS 108 108 15425 1 . LEU 109 109 15425 1 . ASN 110 110 15425 1 . TRP 111 111 15425 1 . ALA 112 112 15425 1 . PHE 113 113 15425 1 . ASN 114 114 15425 1 . LEU 115 115 15425 1 . TYR 116 116 15425 1 . ASP 117 117 15425 1 . ILE 118 118 15425 1 . ASN 119 119 15425 1 . LYS 120 120 15425 1 . ASP 121 121 15425 1 . GLY 122 122 15425 1 . TYR 123 123 15425 1 . ILE 124 124 15425 1 . THR 125 125 15425 1 . LYS 126 126 15425 1 . GLU 127 127 15425 1 . GLU 128 128 15425 1 . MET 129 129 15425 1 . LEU 130 130 15425 1 . ASP 131 131 15425 1 . ILE 132 132 15425 1 . MET 133 133 15425 1 . LYS 134 134 15425 1 . ALA 135 135 15425 1 . ILE 136 136 15425 1 . TYR 137 137 15425 1 . ASP 138 138 15425 1 . MET 139 139 15425 1 . MET 140 140 15425 1 . GLY 141 141 15425 1 . LYS 142 142 15425 1 . CYS 143 143 15425 1 . THR 144 144 15425 1 . TYR 145 145 15425 1 . PRO 146 146 15425 1 . VAL 147 147 15425 1 . LEU 148 148 15425 1 . LYS 149 149 15425 1 . GLU 150 150 15425 1 . ASP 151 151 15425 1 . ALA 152 152 15425 1 . PRO 153 153 15425 1 . ARG 154 154 15425 1 . GLN 155 155 15425 1 . HIS 156 156 15425 1 . VAL 157 157 15425 1 . GLU 158 158 15425 1 . THR 159 159 15425 1 . PHE 160 160 15425 1 . PHE 161 161 15425 1 . GLN 162 162 15425 1 . LYS 163 163 15425 1 . MET 164 164 15425 1 . ASP 165 165 15425 1 . LYS 166 166 15425 1 . ASN 167 167 15425 1 . LYS 168 168 15425 1 . ASP 169 169 15425 1 . GLY 170 170 15425 1 . VAL 171 171 15425 1 . VAL 172 172 15425 1 . THR 173 173 15425 1 . ILE 174 174 15425 1 . ASP 175 175 15425 1 . GLU 176 176 15425 1 . PHE 177 177 15425 1 . ILE 178 178 15425 1 . GLU 179 179 15425 1 . SER 180 180 15425 1 . CYS 181 181 15425 1 . GLN 182 182 15425 1 . LYS 183 183 15425 1 . ASP 184 184 15425 1 . GLU 185 185 15425 1 . ASN 186 186 15425 1 . ILE 187 187 15425 1 . MET 188 188 15425 1 . ARG 189 189 15425 1 . SER 190 190 15425 1 . MET 191 191 15425 1 . GLN 192 192 15425 1 . LEU 193 193 15425 1 . PHE 194 194 15425 1 . GLU 195 195 15425 1 . ASN 196 196 15425 1 . VAL 197 197 15425 1 . ILE 198 198 15425 1 stop_ save_ save_CA _Entity.Sf_category entity _Entity.Sf_framecode CA _Entity.Entry_ID 15425 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name CA _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _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 . 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 . CA . 15425 2 stop_ save_ save_MG _Entity.Sf_category entity _Entity.Sf_framecode MG _Entity.Entry_ID 15425 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name MG _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID MG _Entity.Nonpolymer_comp_label $chem_comp_MG _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _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 . 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 . MG . 15425 3 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 15425 _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 . $KChIP4a(Delta1-42) . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 15425 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 15425 _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 $KChIP4a(Delta1-42) . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET30 . . . . . . 15425 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 15425 _Chem_comp.ID CA _Chem_comp.Provenance . _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Oct 12 11:09:55 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 15425 CA [Ca++] SMILES CACTVS 3.341 15425 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 15425 CA [Ca+2] SMILES ACDLabs 10.04 15425 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 15425 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 15425 CA InChI=1S/Ca/q+2 InChI InChI 1.03 15425 CA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID calcium 'SYSTEMATIC NAME' ACDLabs 10.04 15425 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 15425 CA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CA . CA . . CA . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 15425 CA stop_ save_ save_chem_comp_MG _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_MG _Chem_comp.Entry_ID 15425 _Chem_comp.ID MG _Chem_comp.Provenance . _Chem_comp.Name 'MAGNESIUM ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code MG _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code MG _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Mg _Chem_comp.Formula_weight 24.305 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site PDBJ _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Oct 12 11:09:29 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Mg/q+2 InChI InChI 1.03 15425 MG JLVVSXFLKOJNIY-UHFFFAOYSA-N InChIKey InChI 1.03 15425 MG [Mg++] SMILES CACTVS 3.341 15425 MG [Mg++] SMILES_CANONICAL CACTVS 3.341 15425 MG [Mg+2] SMILES ACDLabs 10.04 15425 MG [Mg+2] SMILES 'OpenEye OEToolkits' 1.5.0 15425 MG [Mg+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 15425 MG stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID magnesium 'SYSTEMATIC NAME' ACDLabs 10.04 15425 MG 'magnesium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 15425 MG stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID MG . MG . . MG . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 15425 MG stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15425 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'All samples contained trace amounts of internal DSS.' _Sample.Aggregate_sample_number 2 _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 KChIP4a(Delta1-42) '[U-13C; U-15N; U-2H]' . . 1 $KChIP4a(Delta1-42) . . 0.25 . . mM . . . . 15425 1 2 MOPS 'natural abundance' . . . . . . 10 . . mM . . . . 15425 1 3 DTT 'natural abundance' . . . . . . 4 . . mM . . . . 15425 1 4 N-octylglucoside 'natural abundance' . . . . . . 5 . . mM . . . . 15425 1 5 'magnesium chloride' 'natural abundance' . . . . . . 2 . . mM . . . . 15425 1 6 H2O . . . . . . . 90 . . % . . . . 15425 1 7 D2O . . . . . . . 10 . . % . . . . 15425 1 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 15425 _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 7.4 . pH 15425 1 pressure 1 . atm 15425 1 temperature 300 . K 15425 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 15425 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15425 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15425 1 processing 15425 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 15425 _Software.ID 2 _Software.Name CARA _Software.Version 1.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 15425 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15425 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 15425 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 15425 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 15425 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 15425 _Experiment_list.ID 1 _Experiment_list.Details 'All experiments were recorded with the TROSY technique.' 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 . . . . . . . . . . . . . . . . 15425 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15425 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15425 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15425 1 5 '3D HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15425 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15425 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15425 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 15425 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 15425 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 15425 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 15425 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 15425 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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 '3D HNCA' . . . 15425 1 2 '3D HN(CO)CA' . . . 15425 1 3 '3D HNCACB' . . . 15425 1 4 '3D HN(CO)CACB' . . . 15425 1 5 '3D HNCO' . . . 15425 1 6 '3D 1H-15N NOESY' . . . 15425 1 7 '2D 1H-15N HSQC' . . . 15425 1 stop_ loop_ _Systematic_chem_shift_offset.Type _Systematic_chem_shift_offset.Atom_type _Systematic_chem_shift_offset.Atom_isotope_number _Systematic_chem_shift_offset.Val _Systematic_chem_shift_offset.Val_err _Systematic_chem_shift_offset.Entry_ID _Systematic_chem_shift_offset.Assigned_chem_shift_list_ID 'TROSY offset' 'amide protons' 1 . . 15425 1 'TROSY offset' 'amide nitrogens' 15 . . 15425 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $CARA . . 15425 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 21 21 LEU C C 13 178.6 0.2 . 1 . . . . 52 LEU C . 15425 1 2 . 1 1 21 21 LEU CA C 13 56.8 0.2 . 1 . . . . 52 LEU CA . 15425 1 3 . 1 1 21 21 LEU CB C 13 40.2 0.2 . 1 . . . . 52 LEU CB . 15425 1 4 . 1 1 22 22 GLU H H 1 8.15 0.02 . 1 . . . . 53 GLU H . 15425 1 5 . 1 1 22 22 GLU C C 13 179.1 0.2 . 1 . . . . 53 GLU C . 15425 1 6 . 1 1 22 22 GLU CA C 13 58.6 0.2 . 1 . . . . 53 GLU CA . 15425 1 7 . 1 1 22 22 GLU CB C 13 27.9 0.2 . 1 . . . . 53 GLU CB . 15425 1 8 . 1 1 22 22 GLU N N 15 119.7 0.2 . 1 . . . . 53 GLU N . 15425 1 9 . 1 1 23 23 LEU H H 1 7.73 0.02 . 1 . . . . 54 LEU H . 15425 1 10 . 1 1 23 23 LEU C C 13 178.9 0.2 . 1 . . . . 54 LEU C . 15425 1 11 . 1 1 23 23 LEU CA C 13 56.7 0.2 . 1 . . . . 54 LEU CA . 15425 1 12 . 1 1 23 23 LEU CB C 13 39.9 0.2 . 1 . . . . 54 LEU CB . 15425 1 13 . 1 1 23 23 LEU N N 15 121.3 0.2 . 1 . . . . 54 LEU N . 15425 1 14 . 1 1 24 24 LEU H H 1 7.70 0.02 . 1 . . . . 55 LEU H . 15425 1 15 . 1 1 24 24 LEU C C 13 179.5 0.2 . 1 . . . . 55 LEU C . 15425 1 16 . 1 1 24 24 LEU CA C 13 56.4 0.2 . 1 . . . . 55 LEU CA . 15425 1 17 . 1 1 24 24 LEU CB C 13 40.4 0.2 . 1 . . . . 55 LEU CB . 15425 1 18 . 1 1 24 24 LEU N N 15 119.3 0.2 . 1 . . . . 55 LEU N . 15425 1 19 . 1 1 25 25 GLU H H 1 8.06 0.02 . 1 . . . . 56 GLU H . 15425 1 20 . 1 1 25 25 GLU C C 13 176.6 0.2 . 1 . . . . 56 GLU C . 15425 1 21 . 1 1 25 25 GLU CA C 13 58.6 0.2 . 1 . . . . 56 GLU CA . 15425 1 22 . 1 1 25 25 GLU CB C 13 28.7 0.2 . 1 . . . . 56 GLU CB . 15425 1 23 . 1 1 25 25 GLU N N 15 122.7 0.2 . 1 . . . . 56 GLU N . 15425 1 24 . 1 1 26 26 ALA H H 1 7.42 0.02 . 1 . . . . 57 ALA H . 15425 1 25 . 1 1 26 26 ALA C C 13 179.0 0.2 . 1 . . . . 57 ALA C . 15425 1 26 . 1 1 26 26 ALA CA C 13 53.2 0.2 . 1 . . . . 57 ALA CA . 15425 1 27 . 1 1 26 26 ALA N N 15 119.7 0.2 . 1 . . . . 57 ALA N . 15425 1 28 . 1 1 27 27 GLN H H 1 7.67 0.02 . 1 . . . . 58 GLN H . 15425 1 29 . 1 1 27 27 GLN CA C 13 55.3 0.2 . 1 . . . . 58 GLN CA . 15425 1 30 . 1 1 27 27 GLN N N 15 115.1 0.2 . 1 . . . . 58 GLN N . 15425 1 31 . 1 1 29 29 LYS C C 13 176.1 0.2 . 1 . . . . 60 LYS C . 15425 1 32 . 1 1 29 29 LYS CA C 13 54.6 0.2 . 1 . . . . 60 LYS CA . 15425 1 33 . 1 1 30 30 PHE H H 1 7.68 0.02 . 1 . . . . 61 PHE H . 15425 1 34 . 1 1 30 30 PHE C C 13 175.8 0.2 . 1 . . . . 61 PHE C . 15425 1 35 . 1 1 30 30 PHE CA C 13 56.6 0.2 . 1 . . . . 61 PHE CA . 15425 1 36 . 1 1 30 30 PHE CB C 13 40.3 0.2 . 1 . . . . 61 PHE CB . 15425 1 37 . 1 1 30 30 PHE N N 15 119.3 0.2 . 1 . . . . 61 PHE N . 15425 1 38 . 1 1 31 31 THR H H 1 9.29 0.02 . 1 . . . . 62 THR H . 15425 1 39 . 1 1 31 31 THR C C 13 175.5 0.2 . 1 . . . . 62 THR C . 15425 1 40 . 1 1 31 31 THR CA C 13 60.1 0.2 . 1 . . . . 62 THR CA . 15425 1 41 . 1 1 31 31 THR CB C 13 70.3 0.2 . 1 . . . . 62 THR CB . 15425 1 42 . 1 1 31 31 THR N N 15 113.1 0.2 . 1 . . . . 62 THR N . 15425 1 43 . 1 1 32 32 LYS H H 1 8.66 0.02 . 1 . . . . 63 LYS H . 15425 1 44 . 1 1 32 32 LYS C C 13 178.6 0.2 . 1 . . . . 63 LYS C . 15425 1 45 . 1 1 32 32 LYS CA C 13 60.2 0.2 . 1 . . . . 63 LYS CA . 15425 1 46 . 1 1 32 32 LYS CB C 13 30.9 0.2 . 1 . . . . 63 LYS CB . 15425 1 47 . 1 1 32 32 LYS N N 15 121.3 0.2 . 1 . . . . 63 LYS N . 15425 1 48 . 1 1 33 33 LYS H H 1 8.09 0.02 . 1 . . . . 64 LYS H . 15425 1 49 . 1 1 33 33 LYS C C 13 179.3 0.2 . 1 . . . . 64 LYS C . 15425 1 50 . 1 1 33 33 LYS CA C 13 58.9 0.2 . 1 . . . . 64 LYS CA . 15425 1 51 . 1 1 33 33 LYS CB C 13 31.4 0.2 . 1 . . . . 64 LYS CB . 15425 1 52 . 1 1 33 33 LYS N N 15 118.3 0.2 . 1 . . . . 64 LYS N . 15425 1 53 . 1 1 34 34 GLU H H 1 7.60 0.02 . 1 . . . . 65 GLU H . 15425 1 54 . 1 1 34 34 GLU C C 13 179.2 0.2 . 1 . . . . 65 GLU C . 15425 1 55 . 1 1 34 34 GLU CA C 13 58.8 0.2 . 1 . . . . 65 GLU CA . 15425 1 56 . 1 1 34 34 GLU CB C 13 29.2 0.2 . 1 . . . . 65 GLU CB . 15425 1 57 . 1 1 34 34 GLU N N 15 119.1 0.2 . 1 . . . . 65 GLU N . 15425 1 58 . 1 1 35 35 LEU H H 1 8.73 0.02 . 1 . . . . 66 LEU H . 15425 1 59 . 1 1 35 35 LEU C C 13 179.0 0.2 . 1 . . . . 66 LEU C . 15425 1 60 . 1 1 35 35 LEU CA C 13 57.5 0.2 . 1 . . . . 66 LEU CA . 15425 1 61 . 1 1 35 35 LEU CB C 13 41.0 0.2 . 1 . . . . 66 LEU CB . 15425 1 62 . 1 1 35 35 LEU N N 15 118.8 0.2 . 1 . . . . 66 LEU N . 15425 1 63 . 1 1 36 36 GLN H H 1 8.09 0.02 . 1 . . . . 67 GLN H . 15425 1 64 . 1 1 36 36 GLN C C 13 179.2 0.2 . 1 . . . . 67 GLN C . 15425 1 65 . 1 1 36 36 GLN CA C 13 58.9 0.2 . 1 . . . . 67 GLN CA . 15425 1 66 . 1 1 36 36 GLN CB C 13 27.1 0.2 . 1 . . . . 67 GLN CB . 15425 1 67 . 1 1 36 36 GLN N N 15 118.6 0.2 . 1 . . . . 67 GLN N . 15425 1 68 . 1 1 37 37 ILE H H 1 7.60 0.02 . 1 . . . . 68 ILE H . 15425 1 69 . 1 1 37 37 ILE C C 13 179.4 0.2 . 1 . . . . 68 ILE C . 15425 1 70 . 1 1 37 37 ILE CA C 13 64.6 0.2 . 1 . . . . 68 ILE CA . 15425 1 71 . 1 1 37 37 ILE CB C 13 36.9 0.2 . 1 . . . . 68 ILE CB . 15425 1 72 . 1 1 37 37 ILE N N 15 121.7 0.2 . 1 . . . . 68 ILE N . 15425 1 73 . 1 1 38 38 LEU H H 1 8.34 0.02 . 1 . . . . 69 LEU H . 15425 1 74 . 1 1 38 38 LEU C C 13 178.5 0.2 . 1 . . . . 69 LEU C . 15425 1 75 . 1 1 38 38 LEU CA C 13 57.6 0.2 . 1 . . . . 69 LEU CA . 15425 1 76 . 1 1 38 38 LEU CB C 13 41.0 0.2 . 1 . . . . 69 LEU CB . 15425 1 77 . 1 1 38 38 LEU N N 15 121.8 0.2 . 1 . . . . 69 LEU N . 15425 1 78 . 1 1 39 39 TYR H H 1 8.95 0.02 . 1 . . . . 70 TYR H . 15425 1 79 . 1 1 39 39 TYR C C 13 176.9 0.2 . 1 . . . . 70 TYR C . 15425 1 80 . 1 1 39 39 TYR CA C 13 60.6 0.2 . 1 . . . . 70 TYR CA . 15425 1 81 . 1 1 39 39 TYR CB C 13 36.9 0.2 . 1 . . . . 70 TYR CB . 15425 1 82 . 1 1 39 39 TYR N N 15 120.4 0.2 . 1 . . . . 70 TYR N . 15425 1 83 . 1 1 40 40 ARG H H 1 7.82 0.02 . 1 . . . . 71 ARG H . 15425 1 84 . 1 1 40 40 ARG C C 13 179.1 0.2 . 1 . . . . 71 ARG C . 15425 1 85 . 1 1 40 40 ARG CA C 13 58.6 0.2 . 1 . . . . 71 ARG CA . 15425 1 86 . 1 1 40 40 ARG CB C 13 28.6 0.2 . 1 . . . . 71 ARG CB . 15425 1 87 . 1 1 40 40 ARG N N 15 118.9 0.2 . 1 . . . . 71 ARG N . 15425 1 88 . 1 1 41 41 GLY H H 1 7.88 0.02 . 1 . . . . 72 GLY H . 15425 1 89 . 1 1 41 41 GLY CA C 13 46.7 0.2 . 1 . . . . 72 GLY CA . 15425 1 90 . 1 1 41 41 GLY N N 15 105.7 0.2 . 1 . . . . 72 GLY N . 15425 1 91 . 1 1 47 47 PRO C C 13 177.5 0.2 . 1 . . . . 78 PRO C . 15425 1 92 . 1 1 47 47 PRO CA C 13 65.5 0.2 . 1 . . . . 78 PRO CA . 15425 1 93 . 1 1 48 48 SER H H 1 7.59 0.02 . 1 . . . . 79 SER H . 15425 1 94 . 1 1 48 48 SER C C 13 176.1 0.2 . 1 . . . . 79 SER C . 15425 1 95 . 1 1 48 48 SER CA C 13 59.0 0.2 . 1 . . . . 79 SER CA . 15425 1 96 . 1 1 48 48 SER CB C 13 62.7 0.2 . 1 . . . . 79 SER CB . 15425 1 97 . 1 1 48 48 SER N N 15 117.0 0.2 . 1 . . . . 79 SER N . 15425 1 98 . 1 1 49 49 GLY H H 1 8.22 0.02 . 1 . . . . 80 GLY H . 15425 1 99 . 1 1 49 49 GLY C C 13 172.5 0.2 . 1 . . . . 80 GLY C . 15425 1 100 . 1 1 49 49 GLY CA C 13 45.1 0.2 . 1 . . . . 80 GLY CA . 15425 1 101 . 1 1 49 49 GLY N N 15 110.0 0.2 . 1 . . . . 80 GLY N . 15425 1 102 . 1 1 50 50 VAL H H 1 7.60 0.02 . 1 . . . . 81 VAL H . 15425 1 103 . 1 1 50 50 VAL N N 15 118.6 0.2 . 1 . . . . 81 VAL N . 15425 1 104 . 1 1 51 51 VAL H H 1 9.30 0.02 . 1 . . . . 82 VAL H . 15425 1 105 . 1 1 51 51 VAL C C 13 174.5 0.2 . 1 . . . . 82 VAL C . 15425 1 106 . 1 1 51 51 VAL CA C 13 60.1 0.2 . 1 . . . . 82 VAL CA . 15425 1 107 . 1 1 51 51 VAL CB C 13 33.0 0.2 . 1 . . . . 82 VAL CB . 15425 1 108 . 1 1 51 51 VAL N N 15 125.1 0.2 . 1 . . . . 82 VAL N . 15425 1 109 . 1 1 52 52 ASN H H 1 7.70 0.02 . 1 . . . . 83 ASN H . 15425 1 110 . 1 1 52 52 ASN C C 13 174.8 0.2 . 1 . . . . 83 ASN C . 15425 1 111 . 1 1 52 52 ASN CA C 13 50.2 0.2 . 1 . . . . 83 ASN CA . 15425 1 112 . 1 1 52 52 ASN CB C 13 38.5 0.2 . 1 . . . . 83 ASN CB . 15425 1 113 . 1 1 52 52 ASN N N 15 124.7 0.2 . 1 . . . . 83 ASN N . 15425 1 114 . 1 1 53 53 GLU H H 1 8.39 0.02 . 1 . . . . 84 GLU H . 15425 1 115 . 1 1 53 53 GLU C C 13 177.9 0.2 . 1 . . . . 84 GLU C . 15425 1 116 . 1 1 53 53 GLU CA C 13 59.6 0.2 . 1 . . . . 84 GLU CA . 15425 1 117 . 1 1 53 53 GLU CB C 13 27.6 0.2 . 1 . . . . 84 GLU CB . 15425 1 118 . 1 1 53 53 GLU N N 15 122.3 0.2 . 1 . . . . 84 GLU N . 15425 1 119 . 1 1 54 54 GLU H H 1 8.27 0.02 . 1 . . . . 85 GLU H . 15425 1 120 . 1 1 54 54 GLU C C 13 179.6 0.2 . 1 . . . . 85 GLU C . 15425 1 121 . 1 1 54 54 GLU CA C 13 59.3 0.2 . 1 . . . . 85 GLU CA . 15425 1 122 . 1 1 54 54 GLU CB C 13 27.6 0.2 . 1 . . . . 85 GLU CB . 15425 1 123 . 1 1 54 54 GLU N N 15 118.6 0.2 . 1 . . . . 85 GLU N . 15425 1 124 . 1 1 55 55 THR H H 1 8.12 0.02 . 1 . . . . 86 THR H . 15425 1 125 . 1 1 55 55 THR C C 13 175.9 0.2 . 1 . . . . 86 THR C . 15425 1 126 . 1 1 55 55 THR CA C 13 65.8 0.2 . 1 . . . . 86 THR CA . 15425 1 127 . 1 1 55 55 THR CB C 13 67.6 0.2 . 1 . . . . 86 THR CB . 15425 1 128 . 1 1 55 55 THR N N 15 117.4 0.2 . 1 . . . . 86 THR N . 15425 1 129 . 1 1 56 56 PHE H H 1 8.53 0.02 . 1 . . . . 87 PHE H . 15425 1 130 . 1 1 56 56 PHE C C 13 176.7 0.2 . 1 . . . . 87 PHE C . 15425 1 131 . 1 1 56 56 PHE CA C 13 62.0 0.2 . 1 . . . . 87 PHE CA . 15425 1 132 . 1 1 56 56 PHE CB C 13 39.2 0.2 . 1 . . . . 87 PHE CB . 15425 1 133 . 1 1 56 56 PHE N N 15 123.1 0.2 . 1 . . . . 87 PHE N . 15425 1 134 . 1 1 57 57 LYS H H 1 8.41 0.02 . 1 . . . . 88 LYS H . 15425 1 135 . 1 1 57 57 LYS CA C 13 59.9 0.2 . 1 . . . . 88 LYS CA . 15425 1 136 . 1 1 57 57 LYS CB C 13 30.9 0.2 . 1 . . . . 88 LYS CB . 15425 1 137 . 1 1 57 57 LYS N N 15 117.6 0.2 . 1 . . . . 88 LYS N . 15425 1 138 . 1 1 58 58 GLU C C 13 179.5 0.2 . 1 . . . . 89 GLU C . 15425 1 139 . 1 1 58 58 GLU CA C 13 58.9 0.2 . 1 . . . . 89 GLU CA . 15425 1 140 . 1 1 59 59 ILE H H 1 8.16 0.02 . 1 . . . . 90 ILE H . 15425 1 141 . 1 1 59 59 ILE C C 13 178.2 0.2 . 1 . . . . 90 ILE C . 15425 1 142 . 1 1 59 59 ILE CA C 13 64.4 0.2 . 1 . . . . 90 ILE CA . 15425 1 143 . 1 1 59 59 ILE CB C 13 36.9 0.2 . 1 . . . . 90 ILE CB . 15425 1 144 . 1 1 59 59 ILE N N 15 121.3 0.2 . 1 . . . . 90 ILE N . 15425 1 145 . 1 1 60 60 TYR H H 1 8.73 0.02 . 1 . . . . 91 TYR H . 15425 1 146 . 1 1 60 60 TYR C C 13 177.6 0.2 . 1 . . . . 91 TYR C . 15425 1 147 . 1 1 60 60 TYR CA C 13 62.6 0.2 . 1 . . . . 91 TYR CA . 15425 1 148 . 1 1 60 60 TYR CB C 13 38.1 0.2 . 1 . . . . 91 TYR CB . 15425 1 149 . 1 1 60 60 TYR N N 15 121.0 0.2 . 1 . . . . 91 TYR N . 15425 1 150 . 1 1 61 61 SER H H 1 7.92 0.02 . 1 . . . . 92 SER H . 15425 1 151 . 1 1 61 61 SER C C 13 175.8 0.2 . 1 . . . . 92 SER C . 15425 1 152 . 1 1 61 61 SER CA C 13 60.6 0.2 . 1 . . . . 92 SER CA . 15425 1 153 . 1 1 61 61 SER CB C 13 62.4 0.2 . 1 . . . . 92 SER CB . 15425 1 154 . 1 1 61 61 SER N N 15 111.6 0.2 . 1 . . . . 92 SER N . 15425 1 155 . 1 1 62 62 GLN H H 1 7.34 0.02 . 1 . . . . 93 GLN H . 15425 1 156 . 1 1 62 62 GLN C C 13 177.7 0.2 . 1 . . . . 93 GLN C . 15425 1 157 . 1 1 62 62 GLN CA C 13 56.9 0.2 . 1 . . . . 93 GLN CA . 15425 1 158 . 1 1 62 62 GLN CB C 13 27.3 0.2 . 1 . . . . 93 GLN CB . 15425 1 159 . 1 1 62 62 GLN N N 15 119.8 0.2 . 1 . . . . 93 GLN N . 15425 1 160 . 1 1 63 63 PHE H H 1 7.37 0.02 . 1 . . . . 94 PHE H . 15425 1 161 . 1 1 63 63 PHE C C 13 175.1 0.2 . 1 . . . . 94 PHE C . 15425 1 162 . 1 1 63 63 PHE CA C 13 59.1 0.2 . 1 . . . . 94 PHE CA . 15425 1 163 . 1 1 63 63 PHE CB C 13 39.0 0.2 . 1 . . . . 94 PHE CB . 15425 1 164 . 1 1 63 63 PHE N N 15 117.3 0.2 . 1 . . . . 94 PHE N . 15425 1 165 . 1 1 64 64 PHE H H 1 7.66 0.02 . 1 . . . . 95 PHE H . 15425 1 166 . 1 1 64 64 PHE CA C 13 55.0 0.2 . 1 . . . . 95 PHE CA . 15425 1 167 . 1 1 64 64 PHE CB C 13 38.2 0.2 . 1 . . . . 95 PHE CB . 15425 1 168 . 1 1 64 64 PHE N N 15 117.1 0.2 . 1 . . . . 95 PHE N . 15425 1 169 . 1 1 65 65 PRO C C 13 177.8 0.2 . 1 . . . . 96 PRO C . 15425 1 170 . 1 1 65 65 PRO CA C 13 63.8 0.2 . 1 . . . . 96 PRO CA . 15425 1 171 . 1 1 65 65 PRO CB C 13 31.4 0.2 . 1 . . . . 96 PRO CB . 15425 1 172 . 1 1 66 66 GLN H H 1 8.60 0.02 . 1 . . . . 97 GLN H . 15425 1 173 . 1 1 66 66 GLN C C 13 176.1 0.2 . 1 . . . . 97 GLN C . 15425 1 174 . 1 1 66 66 GLN CA C 13 56.3 0.2 . 1 . . . . 97 GLN CA . 15425 1 175 . 1 1 66 66 GLN CB C 13 28.4 0.2 . 1 . . . . 97 GLN CB . 15425 1 176 . 1 1 66 66 GLN N N 15 119.8 0.2 . 1 . . . . 97 GLN N . 15425 1 177 . 1 1 67 67 GLY H H 1 7.98 0.02 . 1 . . . . 98 GLY H . 15425 1 178 . 1 1 67 67 GLY CA C 13 44.4 0.2 . 1 . . . . 98 GLY CA . 15425 1 179 . 1 1 67 67 GLY N N 15 109.5 0.2 . 1 . . . . 98 GLY N . 15425 1 180 . 1 1 72 72 TYR C C 13 177.0 0.2 . 1 . . . . 103 TYR C . 15425 1 181 . 1 1 72 72 TYR CA C 13 61.9 0.2 . 1 . . . . 103 TYR CA . 15425 1 182 . 1 1 73 73 ALA H H 1 8.71 0.02 . 1 . . . . 104 ALA H . 15425 1 183 . 1 1 73 73 ALA C C 13 179.1 0.2 . 1 . . . . 104 ALA C . 15425 1 184 . 1 1 73 73 ALA CA C 13 54.9 0.2 . 1 . . . . 104 ALA CA . 15425 1 185 . 1 1 73 73 ALA N N 15 118.9 0.2 . 1 . . . . 104 ALA N . 15425 1 186 . 1 1 74 74 HIS H H 1 7.64 0.02 . 1 . . . . 105 HIS H . 15425 1 187 . 1 1 74 74 HIS C C 13 176.6 0.2 . 1 . . . . 105 HIS C . 15425 1 188 . 1 1 74 74 HIS CA C 13 59.0 0.2 . 1 . . . . 105 HIS CA . 15425 1 189 . 1 1 74 74 HIS CB C 13 27.1 0.2 . 1 . . . . 105 HIS CB . 15425 1 190 . 1 1 74 74 HIS N N 15 117.5 0.2 . 1 . . . . 105 HIS N . 15425 1 191 . 1 1 75 75 PHE H H 1 7.41 0.02 . 1 . . . . 106 PHE H . 15425 1 192 . 1 1 75 75 PHE CA C 13 60.1 0.2 . 1 . . . . 106 PHE CA . 15425 1 193 . 1 1 75 75 PHE CB C 13 36.9 0.2 . 1 . . . . 106 PHE CB . 15425 1 194 . 1 1 75 75 PHE N N 15 119.4 0.2 . 1 . . . . 106 PHE N . 15425 1 195 . 1 1 76 76 LEU H H 1 8.57 0.02 . 1 . . . . 107 LEU H . 15425 1 196 . 1 1 76 76 LEU C C 13 178.0 0.2 . 1 . . . . 107 LEU C . 15425 1 197 . 1 1 76 76 LEU CA C 13 57.0 0.2 . 1 . . . . 107 LEU CA . 15425 1 198 . 1 1 76 76 LEU CB C 13 39.5 0.2 . 1 . . . . 107 LEU CB . 15425 1 199 . 1 1 76 76 LEU N N 15 121.9 0.2 . 1 . . . . 107 LEU N . 15425 1 200 . 1 1 77 77 PHE H H 1 8.54 0.02 . 1 . . . . 108 PHE H . 15425 1 201 . 1 1 77 77 PHE C C 13 176.9 0.2 . 1 . . . . 108 PHE C . 15425 1 202 . 1 1 77 77 PHE CA C 13 62.0 0.2 . 1 . . . . 108 PHE CA . 15425 1 203 . 1 1 77 77 PHE CB C 13 37.1 0.2 . 1 . . . . 108 PHE CB . 15425 1 204 . 1 1 77 77 PHE N N 15 120.6 0.2 . 1 . . . . 108 PHE N . 15425 1 205 . 1 1 78 78 ASN H H 1 7.40 0.02 . 1 . . . . 109 ASN H . 15425 1 206 . 1 1 78 78 ASN C C 13 176.2 0.2 . 1 . . . . 109 ASN C . 15425 1 207 . 1 1 78 78 ASN CA C 13 55.5 0.2 . 1 . . . . 109 ASN CA . 15425 1 208 . 1 1 78 78 ASN CB C 13 37.8 0.2 . 1 . . . . 109 ASN CB . 15425 1 209 . 1 1 78 78 ASN N N 15 115.3 0.2 . 1 . . . . 109 ASN N . 15425 1 210 . 1 1 79 79 ALA H H 1 7.34 0.02 . 1 . . . . 110 ALA H . 15425 1 211 . 1 1 79 79 ALA C C 13 179.0 0.2 . 1 . . . . 110 ALA C . 15425 1 212 . 1 1 79 79 ALA CA C 13 53.4 0.2 . 1 . . . . 110 ALA CA . 15425 1 213 . 1 1 79 79 ALA CB C 13 17.1 0.2 . 1 . . . . 110 ALA CB . 15425 1 214 . 1 1 79 79 ALA N N 15 121.3 0.2 . 1 . . . . 110 ALA N . 15425 1 215 . 1 1 80 80 PHE H H 1 7.54 0.02 . 1 . . . . 111 PHE H . 15425 1 216 . 1 1 80 80 PHE C C 13 177.1 0.2 . 1 . . . . 111 PHE C . 15425 1 217 . 1 1 80 80 PHE CA C 13 59.0 0.2 . 1 . . . . 111 PHE CA . 15425 1 218 . 1 1 80 80 PHE CB C 13 39.7 0.2 . 1 . . . . 111 PHE CB . 15425 1 219 . 1 1 80 80 PHE N N 15 116.2 0.2 . 1 . . . . 111 PHE N . 15425 1 220 . 1 1 81 81 ASP H H 1 7.56 0.02 . 1 . . . . 112 ASP H . 15425 1 221 . 1 1 81 81 ASP CA C 13 51.4 0.2 . 1 . . . . 112 ASP CA . 15425 1 222 . 1 1 81 81 ASP CB C 13 38.7 0.2 . 1 . . . . 112 ASP CB . 15425 1 223 . 1 1 81 81 ASP N N 15 120.8 0.2 . 1 . . . . 112 ASP N . 15425 1 224 . 1 1 84 84 HIS C C 13 174.3 0.2 . 1 . . . . 115 HIS C . 15425 1 225 . 1 1 85 85 ASN H H 1 8.04 0.02 . 1 . . . . 116 ASN H . 15425 1 226 . 1 1 85 85 ASN C C 13 177.1 0.2 . 1 . . . . 116 ASN C . 15425 1 227 . 1 1 85 85 ASN CA C 13 51.1 0.2 . 1 . . . . 116 ASN CA . 15425 1 228 . 1 1 85 85 ASN N N 15 116.7 0.2 . 1 . . . . 116 ASN N . 15425 1 229 . 1 1 86 86 GLY H H 1 10.93 0.02 . 1 . . . . 117 GLY H . 15425 1 230 . 1 1 86 86 GLY C C 13 173.9 0.2 . 1 . . . . 117 GLY C . 15425 1 231 . 1 1 86 86 GLY CA C 13 45.4 0.2 . 1 . . . . 117 GLY CA . 15425 1 232 . 1 1 86 86 GLY N N 15 114.8 0.2 . 1 . . . . 117 GLY N . 15425 1 233 . 1 1 87 87 ALA H H 1 7.70 0.02 . 1 . . . . 118 ALA H . 15425 1 234 . 1 1 87 87 ALA C C 13 174.8 0.2 . 1 . . . . 118 ALA C . 15425 1 235 . 1 1 87 87 ALA CA C 13 50.7 0.2 . 1 . . . . 118 ALA CA . 15425 1 236 . 1 1 87 87 ALA CB C 13 21.0 0.2 . 1 . . . . 118 ALA CB . 15425 1 237 . 1 1 87 87 ALA N N 15 122.4 0.2 . 1 . . . . 118 ALA N . 15425 1 238 . 1 1 88 88 VAL H H 1 9.08 0.02 . 1 . . . . 119 VAL H . 15425 1 239 . 1 1 88 88 VAL C C 13 173.6 0.2 . 1 . . . . 119 VAL C . 15425 1 240 . 1 1 88 88 VAL CA C 13 60.8 0.2 . 1 . . . . 119 VAL CA . 15425 1 241 . 1 1 88 88 VAL N N 15 129.0 0.2 . 1 . . . . 119 VAL N . 15425 1 242 . 1 1 89 89 SER H H 1 9.50 0.02 . 1 . . . . 120 SER H . 15425 1 243 . 1 1 89 89 SER C C 13 175.0 0.2 . 1 . . . . 120 SER C . 15425 1 244 . 1 1 89 89 SER CA C 13 56.1 0.2 . 1 . . . . 120 SER CA . 15425 1 245 . 1 1 89 89 SER CB C 13 66.5 0.2 . 1 . . . . 120 SER CB . 15425 1 246 . 1 1 89 89 SER N N 15 124.4 0.2 . 1 . . . . 120 SER N . 15425 1 247 . 1 1 90 90 PHE H H 1 8.97 0.02 . 1 . . . . 121 PHE H . 15425 1 248 . 1 1 90 90 PHE C C 13 176.6 0.2 . 1 . . . . 121 PHE C . 15425 1 249 . 1 1 90 90 PHE CA C 13 61.4 0.2 . 1 . . . . 121 PHE CA . 15425 1 250 . 1 1 90 90 PHE CB C 13 37.5 0.2 . 1 . . . . 121 PHE CB . 15425 1 251 . 1 1 90 90 PHE N N 15 121.6 0.2 . 1 . . . . 121 PHE N . 15425 1 252 . 1 1 91 91 GLU H H 1 8.91 0.02 . 1 . . . . 122 GLU H . 15425 1 253 . 1 1 91 91 GLU C C 13 178.2 0.2 . 1 . . . . 122 GLU C . 15425 1 254 . 1 1 91 91 GLU CA C 13 60.1 0.2 . 1 . . . . 122 GLU CA . 15425 1 255 . 1 1 91 91 GLU CB C 13 28.0 0.2 . 1 . . . . 122 GLU CB . 15425 1 256 . 1 1 91 91 GLU N N 15 118.7 0.2 . 1 . . . . 122 GLU N . 15425 1 257 . 1 1 92 92 ASP H H 1 7.80 0.02 . 1 . . . . 123 ASP H . 15425 1 258 . 1 1 92 92 ASP C C 13 179.9 0.2 . 1 . . . . 123 ASP C . 15425 1 259 . 1 1 92 92 ASP CA C 13 56.7 0.2 . 1 . . . . 123 ASP CA . 15425 1 260 . 1 1 92 92 ASP CB C 13 40.7 0.2 . 1 . . . . 123 ASP CB . 15425 1 261 . 1 1 92 92 ASP N N 15 120.0 0.2 . 1 . . . . 123 ASP N . 15425 1 262 . 1 1 93 93 PHE H H 1 8.33 0.02 . 1 . . . . 124 PHE H . 15425 1 263 . 1 1 93 93 PHE C C 13 176.0 0.2 . 1 . . . . 124 PHE C . 15425 1 264 . 1 1 93 93 PHE CA C 13 59.6 0.2 . 1 . . . . 124 PHE CA . 15425 1 265 . 1 1 93 93 PHE CB C 13 38.0 0.2 . 1 . . . . 124 PHE CB . 15425 1 266 . 1 1 93 93 PHE N N 15 122.8 0.2 . 1 . . . . 124 PHE N . 15425 1 267 . 1 1 94 94 ILE H H 1 8.41 0.02 . 1 . . . . 125 ILE H . 15425 1 268 . 1 1 94 94 ILE C C 13 178.7 0.2 . 1 . . . . 125 ILE C . 15425 1 269 . 1 1 94 94 ILE CA C 13 60.8 0.2 . 1 . . . . 125 ILE CA . 15425 1 270 . 1 1 94 94 ILE CB C 13 33.7 0.2 . 1 . . . . 125 ILE CB . 15425 1 271 . 1 1 94 94 ILE N N 15 119.2 0.2 . 1 . . . . 125 ILE N . 15425 1 272 . 1 1 95 95 LYS H H 1 8.27 0.02 . 1 . . . . 126 LYS H . 15425 1 273 . 1 1 95 95 LYS C C 13 179.7 0.2 . 1 . . . . 126 LYS C . 15425 1 274 . 1 1 95 95 LYS CA C 13 59.9 0.2 . 1 . . . . 126 LYS CA . 15425 1 275 . 1 1 95 95 LYS CB C 13 30.9 0.2 . 1 . . . . 126 LYS CB . 15425 1 276 . 1 1 95 95 LYS N N 15 121.9 0.2 . 1 . . . . 126 LYS N . 15425 1 277 . 1 1 96 96 GLY H H 1 7.57 0.02 . 1 . . . . 127 GLY H . 15425 1 278 . 1 1 96 96 GLY C C 13 174.6 0.2 . 1 . . . . 127 GLY C . 15425 1 279 . 1 1 96 96 GLY CA C 13 46.7 0.2 . 1 . . . . 127 GLY CA . 15425 1 280 . 1 1 96 96 GLY N N 15 104.7 0.2 . 1 . . . . 127 GLY N . 15425 1 281 . 1 1 97 97 LEU H H 1 8.65 0.02 . 1 . . . . 128 LEU H . 15425 1 282 . 1 1 97 97 LEU C C 13 178.5 0.2 . 1 . . . . 128 LEU C . 15425 1 283 . 1 1 97 97 LEU CA C 13 57.0 0.2 . 1 . . . . 128 LEU CA . 15425 1 284 . 1 1 97 97 LEU CB C 13 40.8 0.2 . 1 . . . . 128 LEU CB . 15425 1 285 . 1 1 97 97 LEU N N 15 122.1 0.2 . 1 . . . . 128 LEU N . 15425 1 286 . 1 1 98 98 SER H H 1 8.50 0.02 . 1 . . . . 129 SER H . 15425 1 287 . 1 1 98 98 SER C C 13 176.0 0.2 . 1 . . . . 129 SER C . 15425 1 288 . 1 1 98 98 SER CA C 13 61.8 0.2 . 1 . . . . 129 SER CA . 15425 1 289 . 1 1 98 98 SER N N 15 113.3 0.2 . 1 . . . . 129 SER N . 15425 1 290 . 1 1 99 99 ILE H H 1 6.65 0.02 . 1 . . . . 130 ILE H . 15425 1 291 . 1 1 99 99 ILE C C 13 177.4 0.2 . 1 . . . . 130 ILE C . 15425 1 292 . 1 1 99 99 ILE CA C 13 63.4 0.2 . 1 . . . . 130 ILE CA . 15425 1 293 . 1 1 99 99 ILE N N 15 120.0 0.2 . 1 . . . . 130 ILE N . 15425 1 294 . 1 1 100 100 LEU H H 1 7.45 0.02 . 1 . . . . 131 LEU H . 15425 1 295 . 1 1 100 100 LEU C C 13 178.0 0.2 . 1 . . . . 131 LEU C . 15425 1 296 . 1 1 100 100 LEU CA C 13 57.4 0.2 . 1 . . . . 131 LEU CA . 15425 1 297 . 1 1 100 100 LEU CB C 13 41.2 0.2 . 1 . . . . 131 LEU CB . 15425 1 298 . 1 1 100 100 LEU N N 15 117.5 0.2 . 1 . . . . 131 LEU N . 15425 1 299 . 1 1 101 101 LEU H H 1 8.37 0.02 . 1 . . . . 132 LEU H . 15425 1 300 . 1 1 101 101 LEU CA C 13 55.4 0.2 . 1 . . . . 132 LEU CA . 15425 1 301 . 1 1 101 101 LEU CB C 13 41.7 0.2 . 1 . . . . 132 LEU CB . 15425 1 302 . 1 1 101 101 LEU N N 15 112.5 0.2 . 1 . . . . 132 LEU N . 15425 1 303 . 1 1 102 102 ARG C C 13 176.2 0.2 . 1 . . . . 133 ARG C . 15425 1 304 . 1 1 102 102 ARG CA C 13 54.4 0.2 . 1 . . . . 133 ARG CA . 15425 1 305 . 1 1 102 102 ARG CB C 13 31.2 0.2 . 1 . . . . 133 ARG CB . 15425 1 306 . 1 1 103 103 GLY H H 1 7.65 0.02 . 1 . . . . 134 GLY H . 15425 1 307 . 1 1 103 103 GLY C C 13 174.5 0.2 . 1 . . . . 134 GLY C . 15425 1 308 . 1 1 103 103 GLY CA C 13 44.8 0.2 . 1 . . . . 134 GLY CA . 15425 1 309 . 1 1 103 103 GLY N N 15 110.2 0.2 . 1 . . . . 134 GLY N . 15425 1 310 . 1 1 104 104 THR H H 1 8.95 0.02 . 1 . . . . 135 THR H . 15425 1 311 . 1 1 104 104 THR C C 13 175.5 0.2 . 1 . . . . 135 THR C . 15425 1 312 . 1 1 104 104 THR CA C 13 60.8 0.2 . 1 . . . . 135 THR CA . 15425 1 313 . 1 1 104 104 THR CB C 13 70.1 0.2 . 1 . . . . 135 THR CB . 15425 1 314 . 1 1 104 104 THR N N 15 112.8 0.2 . 1 . . . . 135 THR N . 15425 1 315 . 1 1 105 105 VAL H H 1 8.64 0.02 . 1 . . . . 136 VAL H . 15425 1 316 . 1 1 105 105 VAL C C 13 177.6 0.2 . 1 . . . . 136 VAL C . 15425 1 317 . 1 1 105 105 VAL CA C 13 66.8 0.2 . 1 . . . . 136 VAL CA . 15425 1 318 . 1 1 105 105 VAL CB C 13 30.6 0.2 . 1 . . . . 136 VAL CB . 15425 1 319 . 1 1 105 105 VAL N N 15 121.4 0.2 . 1 . . . . 136 VAL N . 15425 1 320 . 1 1 106 106 GLN H H 1 8.20 0.02 . 1 . . . . 137 GLN H . 15425 1 321 . 1 1 106 106 GLN C C 13 178.9 0.2 . 1 . . . . 137 GLN C . 15425 1 322 . 1 1 106 106 GLN CA C 13 59.6 0.2 . 1 . . . . 137 GLN CA . 15425 1 323 . 1 1 106 106 GLN CB C 13 26.8 0.2 . 1 . . . . 137 GLN CB . 15425 1 324 . 1 1 106 106 GLN N N 15 117.6 0.2 . 1 . . . . 137 GLN N . 15425 1 325 . 1 1 107 107 GLU H H 1 7.73 0.02 . 1 . . . . 138 GLU H . 15425 1 326 . 1 1 107 107 GLU C C 13 180.4 0.2 . 1 . . . . 138 GLU C . 15425 1 327 . 1 1 107 107 GLU CA C 13 58.9 0.2 . 1 . . . . 138 GLU CA . 15425 1 328 . 1 1 107 107 GLU CB C 13 28.8 0.2 . 1 . . . . 138 GLU CB . 15425 1 329 . 1 1 107 107 GLU N N 15 120.2 0.2 . 1 . . . . 138 GLU N . 15425 1 330 . 1 1 108 108 LYS H H 1 8.58 0.02 . 1 . . . . 139 LYS H . 15425 1 331 . 1 1 108 108 LYS C C 13 179.2 0.2 . 1 . . . . 139 LYS C . 15425 1 332 . 1 1 108 108 LYS CA C 13 60.3 0.2 . 1 . . . . 139 LYS CA . 15425 1 333 . 1 1 108 108 LYS CB C 13 31.6 0.2 . 1 . . . . 139 LYS CB . 15425 1 334 . 1 1 108 108 LYS N N 15 121.1 0.2 . 1 . . . . 139 LYS N . 15425 1 335 . 1 1 109 109 LEU H H 1 8.58 0.02 . 1 . . . . 140 LEU H . 15425 1 336 . 1 1 109 109 LEU C C 13 178.9 0.2 . 1 . . . . 140 LEU C . 15425 1 337 . 1 1 109 109 LEU CA C 13 57.5 0.2 . 1 . . . . 140 LEU CA . 15425 1 338 . 1 1 109 109 LEU CB C 13 40.8 0.2 . 1 . . . . 140 LEU CB . 15425 1 339 . 1 1 109 109 LEU N N 15 119.8 0.2 . 1 . . . . 140 LEU N . 15425 1 340 . 1 1 110 110 ASN H H 1 8.09 0.02 . 1 . . . . 141 ASN H . 15425 1 341 . 1 1 110 110 ASN C C 13 177.1 0.2 . 1 . . . . 141 ASN C . 15425 1 342 . 1 1 110 110 ASN CA C 13 56.6 0.2 . 1 . . . . 141 ASN CA . 15425 1 343 . 1 1 110 110 ASN CB C 13 38.4 0.2 . 1 . . . . 141 ASN CB . 15425 1 344 . 1 1 110 110 ASN N N 15 118.7 0.2 . 1 . . . . 141 ASN N . 15425 1 345 . 1 1 111 111 TRP H H 1 7.97 0.02 . 1 . . . . 142 TRP H . 15425 1 346 . 1 1 111 111 TRP C C 13 179.1 0.2 . 1 . . . . 142 TRP C . 15425 1 347 . 1 1 111 111 TRP CA C 13 61.6 0.2 . 1 . . . . 142 TRP CA . 15425 1 348 . 1 1 111 111 TRP CB C 13 29.1 0.2 . 1 . . . . 142 TRP CB . 15425 1 349 . 1 1 111 111 TRP N N 15 121.9 0.2 . 1 . . . . 142 TRP N . 15425 1 350 . 1 1 112 112 ALA H H 1 8.67 0.02 . 1 . . . . 143 ALA H . 15425 1 351 . 1 1 112 112 ALA C C 13 177.8 0.2 . 1 . . . . 143 ALA C . 15425 1 352 . 1 1 112 112 ALA CA C 13 54.6 0.2 . 1 . . . . 143 ALA CA . 15425 1 353 . 1 1 112 112 ALA CB C 13 17.1 0.2 . 1 . . . . 143 ALA CB . 15425 1 354 . 1 1 112 112 ALA N N 15 121.9 0.2 . 1 . . . . 143 ALA N . 15425 1 355 . 1 1 113 113 PHE H H 1 8.24 0.02 . 1 . . . . 144 PHE H . 15425 1 356 . 1 1 113 113 PHE C C 13 175.8 0.2 . 1 . . . . 144 PHE C . 15425 1 357 . 1 1 113 113 PHE CA C 13 61.6 0.2 . 1 . . . . 144 PHE CA . 15425 1 358 . 1 1 113 113 PHE CB C 13 37.9 0.2 . 1 . . . . 144 PHE CB . 15425 1 359 . 1 1 113 113 PHE N N 15 118.7 0.2 . 1 . . . . 144 PHE N . 15425 1 360 . 1 1 114 114 ASN H H 1 7.18 0.02 . 1 . . . . 145 ASN H . 15425 1 361 . 1 1 114 114 ASN C C 13 175.4 0.2 . 1 . . . . 145 ASN C . 15425 1 362 . 1 1 114 114 ASN CA C 13 55.1 0.2 . 1 . . . . 145 ASN CA . 15425 1 363 . 1 1 114 114 ASN CB C 13 37.9 0.2 . 1 . . . . 145 ASN CB . 15425 1 364 . 1 1 114 114 ASN N N 15 113.9 0.2 . 1 . . . . 145 ASN N . 15425 1 365 . 1 1 115 115 LEU H H 1 7.10 0.02 . 1 . . . . 146 LEU H . 15425 1 366 . 1 1 115 115 LEU C C 13 177.2 0.2 . 1 . . . . 146 LEU C . 15425 1 367 . 1 1 115 115 LEU CA C 13 56.6 0.2 . 1 . . . . 146 LEU CA . 15425 1 368 . 1 1 115 115 LEU CB C 13 40.0 0.2 . 1 . . . . 146 LEU CB . 15425 1 369 . 1 1 115 115 LEU N N 15 120.6 0.2 . 1 . . . . 146 LEU N . 15425 1 370 . 1 1 116 116 TYR H H 1 7.04 0.02 . 1 . . . . 147 TYR H . 15425 1 371 . 1 1 116 116 TYR C C 13 175.4 0.2 . 1 . . . . 147 TYR C . 15425 1 372 . 1 1 116 116 TYR CA C 13 58.9 0.2 . 1 . . . . 147 TYR CA . 15425 1 373 . 1 1 116 116 TYR CB C 13 37.9 0.2 . 1 . . . . 147 TYR CB . 15425 1 374 . 1 1 116 116 TYR N N 15 114.8 0.2 . 1 . . . . 147 TYR N . 15425 1 375 . 1 1 117 117 ASP H H 1 7.36 0.02 . 1 . . . . 148 ASP H . 15425 1 376 . 1 1 117 117 ASP C C 13 178.0 0.2 . 1 . . . . 148 ASP C . 15425 1 377 . 1 1 117 117 ASP CA C 13 50.8 0.2 . 1 . . . . 148 ASP CA . 15425 1 378 . 1 1 117 117 ASP CB C 13 37.5 0.2 . 1 . . . . 148 ASP CB . 15425 1 379 . 1 1 117 117 ASP N N 15 114.9 0.2 . 1 . . . . 148 ASP N . 15425 1 380 . 1 1 118 118 ILE H H 1 7.58 0.02 . 1 . . . . 149 ILE H . 15425 1 381 . 1 1 118 118 ILE C C 13 178.0 0.2 . 1 . . . . 149 ILE C . 15425 1 382 . 1 1 118 118 ILE CA C 13 65.2 0.2 . 1 . . . . 149 ILE CA . 15425 1 383 . 1 1 118 118 ILE CB C 13 37.8 0.2 . 1 . . . . 149 ILE CB . 15425 1 384 . 1 1 118 118 ILE N N 15 127.3 0.2 . 1 . . . . 149 ILE N . 15425 1 385 . 1 1 119 119 ASN H H 1 7.98 0.02 . 1 . . . . 150 ASN H . 15425 1 386 . 1 1 119 119 ASN C C 13 175.0 0.2 . 1 . . . . 150 ASN C . 15425 1 387 . 1 1 119 119 ASN CA C 13 51.6 0.2 . 1 . . . . 150 ASN CA . 15425 1 388 . 1 1 119 119 ASN CB C 13 36.4 0.2 . 1 . . . . 150 ASN CB . 15425 1 389 . 1 1 119 119 ASN N N 15 114.6 0.2 . 1 . . . . 150 ASN N . 15425 1 390 . 1 1 120 120 LYS H H 1 7.71 0.02 . 1 . . . . 151 LYS H . 15425 1 391 . 1 1 120 120 LYS C C 13 176.2 0.2 . 1 . . . . 151 LYS C . 15425 1 392 . 1 1 120 120 LYS CA C 13 55.4 0.2 . 1 . . . . 151 LYS CA . 15425 1 393 . 1 1 120 120 LYS CB C 13 26.9 0.2 . 1 . . . . 151 LYS CB . 15425 1 394 . 1 1 120 120 LYS N N 15 116.1 0.2 . 1 . . . . 151 LYS N . 15425 1 395 . 1 1 121 121 ASP H H 1 8.16 0.02 . 1 . . . . 152 ASP H . 15425 1 396 . 1 1 121 121 ASP C C 13 177.2 0.2 . 1 . . . . 152 ASP C . 15425 1 397 . 1 1 121 121 ASP CA C 13 52.6 0.2 . 1 . . . . 152 ASP CA . 15425 1 398 . 1 1 121 121 ASP CB C 13 40.0 0.2 . 1 . . . . 152 ASP CB . 15425 1 399 . 1 1 121 121 ASP N N 15 119.2 0.2 . 1 . . . . 152 ASP N . 15425 1 400 . 1 1 122 122 GLY H H 1 10.49 0.02 . 1 . . . . 153 GLY H . 15425 1 401 . 1 1 122 122 GLY C C 13 172.8 0.2 . 1 . . . . 153 GLY C . 15425 1 402 . 1 1 122 122 GLY CA C 13 44.4 0.2 . 1 . . . . 153 GLY CA . 15425 1 403 . 1 1 122 122 GLY N N 15 112.9 0.2 . 1 . . . . 153 GLY N . 15425 1 404 . 1 1 123 123 TYR H H 1 7.94 0.02 . 1 . . . . 154 TYR H . 15425 1 405 . 1 1 123 123 TYR C C 13 175.0 0.2 . 1 . . . . 154 TYR C . 15425 1 406 . 1 1 123 123 TYR CA C 13 54.9 0.2 . 1 . . . . 154 TYR CA . 15425 1 407 . 1 1 123 123 TYR CB C 13 40.0 0.2 . 1 . . . . 154 TYR CB . 15425 1 408 . 1 1 123 123 TYR N N 15 118.2 0.2 . 1 . . . . 154 TYR N . 15425 1 409 . 1 1 124 124 ILE H H 1 9.69 0.02 . 1 . . . . 155 ILE H . 15425 1 410 . 1 1 124 124 ILE C C 13 177.2 0.2 . 1 . . . . 155 ILE C . 15425 1 411 . 1 1 124 124 ILE CA C 13 60.9 0.2 . 1 . . . . 155 ILE CA . 15425 1 412 . 1 1 124 124 ILE CB C 13 38.8 0.2 . 1 . . . . 155 ILE CB . 15425 1 413 . 1 1 124 124 ILE N N 15 126.3 0.2 . 1 . . . . 155 ILE N . 15425 1 414 . 1 1 125 125 THR H H 1 8.60 0.02 . 1 . . . . 156 THR H . 15425 1 415 . 1 1 125 125 THR C C 13 175.9 0.2 . 1 . . . . 156 THR C . 15425 1 416 . 1 1 125 125 THR CA C 13 59.1 0.2 . 1 . . . . 156 THR CA . 15425 1 417 . 1 1 125 125 THR CB C 13 70.9 0.2 . 1 . . . . 156 THR CB . 15425 1 418 . 1 1 125 125 THR N N 15 118.0 0.2 . 1 . . . . 156 THR N . 15425 1 419 . 1 1 126 126 LYS H H 1 8.92 0.02 . 1 . . . . 157 LYS H . 15425 1 420 . 1 1 126 126 LYS C C 13 178.4 0.2 . 1 . . . . 157 LYS C . 15425 1 421 . 1 1 126 126 LYS CA C 13 59.9 0.2 . 1 . . . . 157 LYS CA . 15425 1 422 . 1 1 126 126 LYS CB C 13 30.4 0.2 . 1 . . . . 157 LYS CB . 15425 1 423 . 1 1 126 126 LYS N N 15 123.1 0.2 . 1 . . . . 157 LYS N . 15425 1 424 . 1 1 127 127 GLU H H 1 8.29 0.02 . 1 . . . . 158 GLU H . 15425 1 425 . 1 1 127 127 GLU C C 13 179.2 0.2 . 1 . . . . 158 GLU C . 15425 1 426 . 1 1 127 127 GLU CA C 13 60.0 0.2 . 1 . . . . 158 GLU CA . 15425 1 427 . 1 1 127 127 GLU CB C 13 27.6 0.2 . 1 . . . . 158 GLU CB . 15425 1 428 . 1 1 127 127 GLU N N 15 117.7 0.2 . 1 . . . . 158 GLU N . 15425 1 429 . 1 1 128 128 GLU H H 1 7.55 0.02 . 1 . . . . 159 GLU H . 15425 1 430 . 1 1 128 128 GLU C C 13 178.1 0.2 . 1 . . . . 159 GLU C . 15425 1 431 . 1 1 128 128 GLU CA C 13 58.8 0.2 . 1 . . . . 159 GLU CA . 15425 1 432 . 1 1 128 128 GLU CB C 13 28.1 0.2 . 1 . . . . 159 GLU CB . 15425 1 433 . 1 1 128 128 GLU N N 15 120.7 0.2 . 1 . . . . 159 GLU N . 15425 1 434 . 1 1 129 129 MET H H 1 8.02 0.02 . 1 . . . . 160 MET H . 15425 1 435 . 1 1 129 129 MET C C 13 178.3 0.2 . 1 . . . . 160 MET C . 15425 1 436 . 1 1 129 129 MET CA C 13 58.6 0.2 . 1 . . . . 160 MET CA . 15425 1 437 . 1 1 129 129 MET CB C 13 31.4 0.2 . 1 . . . . 160 MET CB . 15425 1 438 . 1 1 129 129 MET N N 15 116.5 0.2 . 1 . . . . 160 MET N . 15425 1 439 . 1 1 130 130 LEU H H 1 8.42 0.02 . 1 . . . . 161 LEU H . 15425 1 440 . 1 1 130 130 LEU C C 13 178.0 0.2 . 1 . . . . 161 LEU C . 15425 1 441 . 1 1 130 130 LEU CA C 13 57.6 0.2 . 1 . . . . 161 LEU CA . 15425 1 442 . 1 1 130 130 LEU CB C 13 40.2 0.2 . 1 . . . . 161 LEU CB . 15425 1 443 . 1 1 130 130 LEU N N 15 119.9 0.2 . 1 . . . . 161 LEU N . 15425 1 444 . 1 1 131 131 ASP H H 1 7.74 0.02 . 1 . . . . 162 ASP H . 15425 1 445 . 1 1 131 131 ASP C C 13 180.1 0.2 . 1 . . . . 162 ASP C . 15425 1 446 . 1 1 131 131 ASP CA C 13 57.4 0.2 . 1 . . . . 162 ASP CA . 15425 1 447 . 1 1 131 131 ASP CB C 13 39.5 0.2 . 1 . . . . 162 ASP CB . 15425 1 448 . 1 1 131 131 ASP N N 15 121.4 0.2 . 1 . . . . 162 ASP N . 15425 1 449 . 1 1 132 132 ILE H H 1 7.75 0.02 . 1 . . . . 163 ILE H . 15425 1 450 . 1 1 132 132 ILE C C 13 178.1 0.2 . 1 . . . . 163 ILE C . 15425 1 451 . 1 1 132 132 ILE CA C 13 61.9 0.2 . 1 . . . . 163 ILE CA . 15425 1 452 . 1 1 132 132 ILE N N 15 120.0 0.2 . 1 . . . . 163 ILE N . 15425 1 453 . 1 1 133 133 MET H H 1 8.69 0.02 . 1 . . . . 164 MET H . 15425 1 454 . 1 1 133 133 MET C C 13 179.4 0.2 . 1 . . . . 164 MET C . 15425 1 455 . 1 1 133 133 MET CA C 13 57.4 0.2 . 1 . . . . 164 MET CA . 15425 1 456 . 1 1 133 133 MET CB C 13 29.8 0.2 . 1 . . . . 164 MET CB . 15425 1 457 . 1 1 133 133 MET N N 15 118.9 0.2 . 1 . . . . 164 MET N . 15425 1 458 . 1 1 134 134 LYS H H 1 8.88 0.02 . 1 . . . . 165 LYS H . 15425 1 459 . 1 1 134 134 LYS C C 13 178.0 0.2 . 1 . . . . 165 LYS C . 15425 1 460 . 1 1 134 134 LYS CA C 13 59.6 0.2 . 1 . . . . 165 LYS CA . 15425 1 461 . 1 1 134 134 LYS CB C 13 31.2 0.2 . 1 . . . . 165 LYS CB . 15425 1 462 . 1 1 134 134 LYS N N 15 120.3 0.2 . 1 . . . . 165 LYS N . 15425 1 463 . 1 1 135 135 ALA H H 1 7.48 0.02 . 1 . . . . 166 ALA H . 15425 1 464 . 1 1 135 135 ALA C C 13 180.9 0.2 . 1 . . . . 166 ALA C . 15425 1 465 . 1 1 135 135 ALA CA C 13 54.5 0.2 . 1 . . . . 166 ALA CA . 15425 1 466 . 1 1 135 135 ALA CB C 13 16.9 0.2 . 1 . . . . 166 ALA CB . 15425 1 467 . 1 1 135 135 ALA N N 15 121.7 0.2 . 1 . . . . 166 ALA N . 15425 1 468 . 1 1 136 136 ILE H H 1 8.45 0.02 . 1 . . . . 167 ILE H . 15425 1 469 . 1 1 136 136 ILE C C 13 178.1 0.2 . 1 . . . . 167 ILE C . 15425 1 470 . 1 1 136 136 ILE CA C 13 64.8 0.2 . 1 . . . . 167 ILE CA . 15425 1 471 . 1 1 136 136 ILE CB C 13 36.5 0.2 . 1 . . . . 167 ILE CB . 15425 1 472 . 1 1 136 136 ILE N N 15 121.0 0.2 . 1 . . . . 167 ILE N . 15425 1 473 . 1 1 137 137 TYR H H 1 8.67 0.02 . 1 . . . . 168 TYR H . 15425 1 474 . 1 1 137 137 TYR C C 13 179.2 0.2 . 1 . . . . 168 TYR C . 15425 1 475 . 1 1 137 137 TYR CA C 13 61.6 0.2 . 1 . . . . 168 TYR CA . 15425 1 476 . 1 1 137 137 TYR CB C 13 36.4 0.2 . 1 . . . . 168 TYR CB . 15425 1 477 . 1 1 137 137 TYR N N 15 121.9 0.2 . 1 . . . . 168 TYR N . 15425 1 478 . 1 1 138 138 ASP H H 1 8.48 0.02 . 1 . . . . 169 ASP H . 15425 1 479 . 1 1 138 138 ASP C C 13 179.0 0.2 . 1 . . . . 169 ASP C . 15425 1 480 . 1 1 138 138 ASP CA C 13 56.7 0.2 . 1 . . . . 169 ASP CA . 15425 1 481 . 1 1 138 138 ASP CB C 13 39.4 0.2 . 1 . . . . 169 ASP CB . 15425 1 482 . 1 1 138 138 ASP N N 15 120.8 0.2 . 1 . . . . 169 ASP N . 15425 1 483 . 1 1 139 139 MET H H 1 7.66 0.02 . 1 . . . . 170 MET H . 15425 1 484 . 1 1 139 139 MET C C 13 176.5 0.2 . 1 . . . . 170 MET C . 15425 1 485 . 1 1 139 139 MET CA C 13 57.9 0.2 . 1 . . . . 170 MET CA . 15425 1 486 . 1 1 139 139 MET CB C 13 32.3 0.2 . 1 . . . . 170 MET CB . 15425 1 487 . 1 1 139 139 MET N N 15 120.8 0.2 . 1 . . . . 170 MET N . 15425 1 488 . 1 1 140 140 MET H H 1 7.91 0.02 . 1 . . . . 171 MET H . 15425 1 489 . 1 1 140 140 MET C C 13 177.6 0.2 . 1 . . . . 171 MET C . 15425 1 490 . 1 1 140 140 MET CA C 13 55.9 0.2 . 1 . . . . 171 MET CA . 15425 1 491 . 1 1 140 140 MET CB C 13 31.6 0.2 . 1 . . . . 171 MET CB . 15425 1 492 . 1 1 140 140 MET N N 15 115.9 0.2 . 1 . . . . 171 MET N . 15425 1 493 . 1 1 141 141 GLY H H 1 7.91 0.02 . 1 . . . . 172 GLY H . 15425 1 494 . 1 1 141 141 GLY CA C 13 45.5 0.2 . 1 . . . . 172 GLY CA . 15425 1 495 . 1 1 141 141 GLY N N 15 108.0 0.2 . 1 . . . . 172 GLY N . 15425 1 496 . 1 1 156 156 HIS C C 13 178.3 0.2 . 1 . . . . 187 HIS C . 15425 1 497 . 1 1 156 156 HIS CA C 13 58.6 0.2 . 1 . . . . 187 HIS CA . 15425 1 498 . 1 1 156 156 HIS CB C 13 30.2 0.2 . 1 . . . . 187 HIS CB . 15425 1 499 . 1 1 157 157 VAL H H 1 8.08 0.02 . 1 . . . . 188 VAL H . 15425 1 500 . 1 1 157 157 VAL C C 13 177.5 0.2 . 1 . . . . 188 VAL C . 15425 1 501 . 1 1 157 157 VAL CA C 13 66.5 0.2 . 1 . . . . 188 VAL CA . 15425 1 502 . 1 1 157 157 VAL CB C 13 30.4 0.2 . 1 . . . . 188 VAL CB . 15425 1 503 . 1 1 157 157 VAL N N 15 119.6 0.2 . 1 . . . . 188 VAL N . 15425 1 504 . 1 1 158 158 GLU H H 1 8.17 0.02 . 1 . . . . 189 GLU H . 15425 1 505 . 1 1 158 158 GLU C C 13 179.6 0.2 . 1 . . . . 189 GLU C . 15425 1 506 . 1 1 158 158 GLU CA C 13 59.1 0.2 . 1 . . . . 189 GLU CA . 15425 1 507 . 1 1 158 158 GLU CB C 13 27.8 0.2 . 1 . . . . 189 GLU CB . 15425 1 508 . 1 1 158 158 GLU N N 15 119.5 0.2 . 1 . . . . 189 GLU N . 15425 1 509 . 1 1 159 159 THR H H 1 8.00 0.02 . 1 . . . . 190 THR H . 15425 1 510 . 1 1 159 159 THR C C 13 176.5 0.2 . 1 . . . . 190 THR C . 15425 1 511 . 1 1 159 159 THR CA C 13 65.7 0.2 . 1 . . . . 190 THR CA . 15425 1 512 . 1 1 159 159 THR CB C 13 68.2 0.2 . 1 . . . . 190 THR CB . 15425 1 513 . 1 1 159 159 THR N N 15 115.8 0.2 . 1 . . . . 190 THR N . 15425 1 514 . 1 1 160 160 PHE H H 1 8.27 0.02 . 1 . . . . 191 PHE H . 15425 1 515 . 1 1 160 160 PHE C C 13 177.8 0.2 . 1 . . . . 191 PHE C . 15425 1 516 . 1 1 160 160 PHE CA C 13 60.1 0.2 . 1 . . . . 191 PHE CA . 15425 1 517 . 1 1 160 160 PHE N N 15 121.6 0.2 . 1 . . . . 191 PHE N . 15425 1 518 . 1 1 161 161 PHE H H 1 9.21 0.02 . 1 . . . . 192 PHE H . 15425 1 519 . 1 1 161 161 PHE C C 13 177.9 0.2 . 1 . . . . 192 PHE C . 15425 1 520 . 1 1 161 161 PHE CA C 13 63.2 0.2 . 1 . . . . 192 PHE CA . 15425 1 521 . 1 1 161 161 PHE CB C 13 37.8 0.2 . 1 . . . . 192 PHE CB . 15425 1 522 . 1 1 161 161 PHE N N 15 121.4 0.2 . 1 . . . . 192 PHE N . 15425 1 523 . 1 1 162 162 GLN H H 1 7.97 0.02 . 1 . . . . 193 GLN H . 15425 1 524 . 1 1 162 162 GLN C C 13 178.4 0.2 . 1 . . . . 193 GLN C . 15425 1 525 . 1 1 162 162 GLN CA C 13 58.4 0.2 . 1 . . . . 193 GLN CA . 15425 1 526 . 1 1 162 162 GLN CB C 13 27.6 0.2 . 1 . . . . 193 GLN CB . 15425 1 527 . 1 1 162 162 GLN N N 15 116.5 0.2 . 1 . . . . 193 GLN N . 15425 1 528 . 1 1 163 163 LYS H H 1 7.29 0.02 . 1 . . . . 194 LYS H . 15425 1 529 . 1 1 163 163 LYS C C 13 178.0 0.2 . 1 . . . . 194 LYS C . 15425 1 530 . 1 1 163 163 LYS CA C 13 57.9 0.2 . 1 . . . . 194 LYS CA . 15425 1 531 . 1 1 163 163 LYS CB C 13 31.9 0.2 . 1 . . . . 194 LYS CB . 15425 1 532 . 1 1 163 163 LYS N N 15 116.8 0.2 . 1 . . . . 194 LYS N . 15425 1 533 . 1 1 164 164 MET H H 1 7.78 0.02 . 1 . . . . 195 MET H . 15425 1 534 . 1 1 164 164 MET C C 13 176.9 0.2 . 1 . . . . 195 MET C . 15425 1 535 . 1 1 164 164 MET CA C 13 57.1 0.2 . 1 . . . . 195 MET CA . 15425 1 536 . 1 1 164 164 MET CB C 13 34.7 0.2 . 1 . . . . 195 MET CB . 15425 1 537 . 1 1 164 164 MET N N 15 116.0 0.2 . 1 . . . . 195 MET N . 15425 1 538 . 1 1 165 165 ASP H H 1 7.75 0.02 . 1 . . . . 196 ASP H . 15425 1 539 . 1 1 165 165 ASP C C 13 177.7 0.2 . 1 . . . . 196 ASP C . 15425 1 540 . 1 1 165 165 ASP CA C 13 52.1 0.2 . 1 . . . . 196 ASP CA . 15425 1 541 . 1 1 165 165 ASP CB C 13 37.4 0.2 . 1 . . . . 196 ASP CB . 15425 1 542 . 1 1 165 165 ASP N N 15 116.3 0.2 . 1 . . . . 196 ASP N . 15425 1 543 . 1 1 166 166 LYS H H 1 7.71 0.02 . 1 . . . . 197 LYS H . 15425 1 544 . 1 1 166 166 LYS C C 13 177.7 0.2 . 1 . . . . 197 LYS C . 15425 1 545 . 1 1 166 166 LYS CA C 13 58.6 0.2 . 1 . . . . 197 LYS CA . 15425 1 546 . 1 1 166 166 LYS CB C 13 32.0 0.2 . 1 . . . . 197 LYS CB . 15425 1 547 . 1 1 166 166 LYS N N 15 129.0 0.2 . 1 . . . . 197 LYS N . 15425 1 548 . 1 1 167 167 ASN H H 1 7.90 0.02 . 1 . . . . 198 ASN H . 15425 1 549 . 1 1 167 167 ASN C C 13 174.7 0.2 . 1 . . . . 198 ASN C . 15425 1 550 . 1 1 167 167 ASN CA C 13 51.3 0.2 . 1 . . . . 198 ASN CA . 15425 1 551 . 1 1 167 167 ASN CB C 13 36.3 0.2 . 1 . . . . 198 ASN CB . 15425 1 552 . 1 1 167 167 ASN N N 15 113.3 0.2 . 1 . . . . 198 ASN N . 15425 1 553 . 1 1 168 168 LYS H H 1 7.64 0.02 . 1 . . . . 199 LYS H . 15425 1 554 . 1 1 168 168 LYS C C 13 175.9 0.2 . 1 . . . . 199 LYS C . 15425 1 555 . 1 1 168 168 LYS CA C 13 56.9 0.2 . 1 . . . . 199 LYS CA . 15425 1 556 . 1 1 168 168 LYS CB C 13 27.8 0.2 . 1 . . . . 199 LYS CB . 15425 1 557 . 1 1 168 168 LYS N N 15 116.0 0.2 . 1 . . . . 199 LYS N . 15425 1 558 . 1 1 169 169 ASP H H 1 8.18 0.02 . 1 . . . . 200 ASP H . 15425 1 559 . 1 1 169 169 ASP C C 13 178.0 0.2 . 1 . . . . 200 ASP C . 15425 1 560 . 1 1 169 169 ASP CA C 13 52.7 0.2 . 1 . . . . 200 ASP CA . 15425 1 561 . 1 1 169 169 ASP CB C 13 39.8 0.2 . 1 . . . . 200 ASP CB . 15425 1 562 . 1 1 169 169 ASP N N 15 118.7 0.2 . 1 . . . . 200 ASP N . 15425 1 563 . 1 1 170 170 GLY H H 1 10.33 0.02 . 1 . . . . 201 GLY H . 15425 1 564 . 1 1 170 170 GLY C C 13 173.3 0.2 . 1 . . . . 201 GLY C . 15425 1 565 . 1 1 170 170 GLY CA C 13 45.0 0.2 . 1 . . . . 201 GLY CA . 15425 1 566 . 1 1 170 170 GLY N N 15 113.1 0.2 . 1 . . . . 201 GLY N . 15425 1 567 . 1 1 171 171 VAL H H 1 7.84 0.02 . 1 . . . . 202 VAL H . 15425 1 568 . 1 1 171 171 VAL C C 13 174.8 0.2 . 1 . . . . 202 VAL C . 15425 1 569 . 1 1 171 171 VAL CA C 13 58.6 0.2 . 1 . . . . 202 VAL CA . 15425 1 570 . 1 1 171 171 VAL CB C 13 35.7 0.2 . 1 . . . . 202 VAL CB . 15425 1 571 . 1 1 171 171 VAL N N 15 112.6 0.2 . 1 . . . . 202 VAL N . 15425 1 572 . 1 1 172 172 VAL H H 1 9.24 0.02 . 1 . . . . 203 VAL H . 15425 1 573 . 1 1 172 172 VAL C C 13 176.7 0.2 . 1 . . . . 203 VAL C . 15425 1 574 . 1 1 172 172 VAL CA C 13 60.8 0.2 . 1 . . . . 203 VAL CA . 15425 1 575 . 1 1 172 172 VAL CB C 13 32.6 0.2 . 1 . . . . 203 VAL CB . 15425 1 576 . 1 1 172 172 VAL N N 15 126.4 0.2 . 1 . . . . 203 VAL N . 15425 1 577 . 1 1 173 173 THR H H 1 8.45 0.02 . 1 . . . . 204 THR H . 15425 1 578 . 1 1 173 173 THR C C 13 177.0 0.2 . 1 . . . . 204 THR C . 15425 1 579 . 1 1 173 173 THR CA C 13 59.9 0.2 . 1 . . . . 204 THR CA . 15425 1 580 . 1 1 173 173 THR CB C 13 70.6 0.2 . 1 . . . . 204 THR CB . 15425 1 581 . 1 1 173 173 THR N N 15 118.4 0.2 . 1 . . . . 204 THR N . 15425 1 582 . 1 1 174 174 ILE H H 1 8.86 0.02 . 1 . . . . 205 ILE H . 15425 1 583 . 1 1 174 174 ILE C C 13 175.5 0.2 . 1 . . . . 205 ILE C . 15425 1 584 . 1 1 174 174 ILE CA C 13 63.2 0.2 . 1 . . . . 205 ILE CA . 15425 1 585 . 1 1 174 174 ILE CB C 13 35.6 0.2 . 1 . . . . 205 ILE CB . 15425 1 586 . 1 1 174 174 ILE N N 15 123.2 0.2 . 1 . . . . 205 ILE N . 15425 1 587 . 1 1 175 175 ASP H H 1 8.03 0.02 . 1 . . . . 206 ASP H . 15425 1 588 . 1 1 175 175 ASP C C 13 179.3 0.2 . 1 . . . . 206 ASP C . 15425 1 589 . 1 1 175 175 ASP CA C 13 56.1 0.2 . 1 . . . . 206 ASP CA . 15425 1 590 . 1 1 175 175 ASP CB C 13 39.0 0.2 . 1 . . . . 206 ASP CB . 15425 1 591 . 1 1 175 175 ASP N N 15 119.8 0.2 . 1 . . . . 206 ASP N . 15425 1 592 . 1 1 176 176 GLU H H 1 7.16 0.02 . 1 . . . . 207 GLU H . 15425 1 593 . 1 1 176 176 GLU C C 13 179.4 0.2 . 1 . . . . 207 GLU C . 15425 1 594 . 1 1 176 176 GLU CA C 13 58.4 0.2 . 1 . . . . 207 GLU CA . 15425 1 595 . 1 1 176 176 GLU CB C 13 28.6 0.2 . 1 . . . . 207 GLU CB . 15425 1 596 . 1 1 176 176 GLU N N 15 120.8 0.2 . 1 . . . . 207 GLU N . 15425 1 597 . 1 1 177 177 PHE H H 1 8.65 0.02 . 1 . . . . 208 PHE H . 15425 1 598 . 1 1 177 177 PHE C C 13 177.0 0.2 . 1 . . . . 208 PHE C . 15425 1 599 . 1 1 177 177 PHE CA C 13 61.1 0.2 . 1 . . . . 208 PHE CA . 15425 1 600 . 1 1 177 177 PHE CB C 13 40.2 0.2 . 1 . . . . 208 PHE CB . 15425 1 601 . 1 1 177 177 PHE N N 15 123.2 0.2 . 1 . . . . 208 PHE N . 15425 1 602 . 1 1 178 178 ILE H H 1 8.87 0.02 . 1 . . . . 209 ILE H . 15425 1 603 . 1 1 178 178 ILE C C 13 177.9 0.2 . 1 . . . . 209 ILE C . 15425 1 604 . 1 1 178 178 ILE CA C 13 65.3 0.2 . 1 . . . . 209 ILE CA . 15425 1 605 . 1 1 178 178 ILE CB C 13 36.4 0.2 . 1 . . . . 209 ILE CB . 15425 1 606 . 1 1 178 178 ILE N N 15 119.2 0.2 . 1 . . . . 209 ILE N . 15425 1 607 . 1 1 179 179 GLU H H 1 7.71 0.02 . 1 . . . . 210 GLU H . 15425 1 608 . 1 1 179 179 GLU C C 13 179.1 0.2 . 1 . . . . 210 GLU C . 15425 1 609 . 1 1 179 179 GLU CA C 13 59.0 0.2 . 1 . . . . 210 GLU CA . 15425 1 610 . 1 1 179 179 GLU CB C 13 28.7 0.2 . 1 . . . . 210 GLU CB . 15425 1 611 . 1 1 179 179 GLU N N 15 118.4 0.2 . 1 . . . . 210 GLU N . 15425 1 612 . 1 1 180 180 SER H H 1 7.75 0.02 . 1 . . . . 211 SER H . 15425 1 613 . 1 1 180 180 SER C C 13 176.9 0.2 . 1 . . . . 211 SER C . 15425 1 614 . 1 1 180 180 SER CA C 13 61.5 0.2 . 1 . . . . 211 SER CA . 15425 1 615 . 1 1 180 180 SER CB C 13 62.7 0.2 . 1 . . . . 211 SER CB . 15425 1 616 . 1 1 180 180 SER N N 15 112.8 0.2 . 1 . . . . 211 SER N . 15425 1 617 . 1 1 181 181 CYS H H 1 7.60 0.02 . 1 . . . . 212 CYS H . 15425 1 618 . 1 1 181 181 CYS C C 13 176.0 0.2 . 1 . . . . 212 CYS C . 15425 1 619 . 1 1 181 181 CYS CA C 13 62.9 0.2 . 1 . . . . 212 CYS CA . 15425 1 620 . 1 1 181 181 CYS N N 15 118.9 0.2 . 1 . . . . 212 CYS N . 15425 1 621 . 1 1 182 182 GLN H H 1 7.81 0.02 . 1 . . . . 213 GLN H . 15425 1 622 . 1 1 182 182 GLN C C 13 177.4 0.2 . 1 . . . . 213 GLN C . 15425 1 623 . 1 1 182 182 GLN CA C 13 57.6 0.2 . 1 . . . . 213 GLN CA . 15425 1 624 . 1 1 182 182 GLN CB C 13 27.6 0.2 . 1 . . . . 213 GLN CB . 15425 1 625 . 1 1 182 182 GLN N N 15 115.4 0.2 . 1 . . . . 213 GLN N . 15425 1 626 . 1 1 183 183 LYS H H 1 7.38 0.02 . 1 . . . . 214 LYS H . 15425 1 627 . 1 1 183 183 LYS C C 13 176.0 0.2 . 1 . . . . 214 LYS C . 15425 1 628 . 1 1 183 183 LYS CA C 13 56.1 0.2 . 1 . . . . 214 LYS CA . 15425 1 629 . 1 1 183 183 LYS CB C 13 32.4 0.2 . 1 . . . . 214 LYS CB . 15425 1 630 . 1 1 183 183 LYS N N 15 116.7 0.2 . 1 . . . . 214 LYS N . 15425 1 631 . 1 1 184 184 ASP H H 1 7.41 0.02 . 1 . . . . 215 ASP H . 15425 1 632 . 1 1 184 184 ASP C C 13 175.4 0.2 . 1 . . . . 215 ASP C . 15425 1 633 . 1 1 184 184 ASP CA C 13 52.8 0.2 . 1 . . . . 215 ASP CA . 15425 1 634 . 1 1 184 184 ASP CB C 13 41.4 0.2 . 1 . . . . 215 ASP CB . 15425 1 635 . 1 1 184 184 ASP N N 15 120.5 0.2 . 1 . . . . 215 ASP N . 15425 1 636 . 1 1 185 185 GLU H H 1 8.90 0.02 . 1 . . . . 216 GLU H . 15425 1 637 . 1 1 185 185 GLU C C 13 177.9 0.2 . 1 . . . . 216 GLU C . 15425 1 638 . 1 1 185 185 GLU CA C 13 58.1 0.2 . 1 . . . . 216 GLU CA . 15425 1 639 . 1 1 185 185 GLU CB C 13 28.9 0.2 . 1 . . . . 216 GLU CB . 15425 1 640 . 1 1 185 185 GLU N N 15 126.2 0.2 . 1 . . . . 216 GLU N . 15425 1 641 . 1 1 186 186 ASN H H 1 8.43 0.02 . 1 . . . . 217 ASN H . 15425 1 642 . 1 1 186 186 ASN C C 13 178.1 0.2 . 1 . . . . 217 ASN C . 15425 1 643 . 1 1 186 186 ASN CA C 13 55.5 0.2 . 1 . . . . 217 ASN CA . 15425 1 644 . 1 1 186 186 ASN CB C 13 37.8 0.2 . 1 . . . . 217 ASN CB . 15425 1 645 . 1 1 186 186 ASN N N 15 117.9 0.2 . 1 . . . . 217 ASN N . 15425 1 646 . 1 1 187 187 ILE H H 1 7.77 0.02 . 1 . . . . 218 ILE H . 15425 1 647 . 1 1 187 187 ILE C C 13 178.1 0.2 . 1 . . . . 218 ILE C . 15425 1 648 . 1 1 187 187 ILE CA C 13 64.6 0.2 . 1 . . . . 218 ILE CA . 15425 1 649 . 1 1 187 187 ILE CB C 13 35.8 0.2 . 1 . . . . 218 ILE CB . 15425 1 650 . 1 1 187 187 ILE N N 15 123.1 0.2 . 1 . . . . 218 ILE N . 15425 1 651 . 1 1 188 188 MET H H 1 8.07 0.02 . 1 . . . . 219 MET H . 15425 1 652 . 1 1 188 188 MET CA C 13 57.9 0.2 . 1 . . . . 219 MET CA . 15425 1 653 . 1 1 188 188 MET N N 15 118.8 0.2 . 1 . . . . 219 MET N . 15425 1 654 . 1 1 196 196 ASN C C 13 174.8 0.2 . 1 . . . . 227 ASN C . 15425 1 655 . 1 1 196 196 ASN CA C 13 53.1 0.2 . 1 . . . . 227 ASN CA . 15425 1 656 . 1 1 197 197 VAL H H 1 7.94 0.02 . 1 . . . . 228 VAL H . 15425 1 657 . 1 1 197 197 VAL C C 13 174.7 0.2 . 1 . . . . 228 VAL C . 15425 1 658 . 1 1 197 197 VAL CA C 13 62.4 0.2 . 1 . . . . 228 VAL CA . 15425 1 659 . 1 1 197 197 VAL N N 15 119.7 0.2 . 1 . . . . 228 VAL N . 15425 1 660 . 1 1 198 198 ILE H H 1 7.46 0.02 . 1 . . . . 229 ILE H . 15425 1 661 . 1 1 198 198 ILE CA C 13 62.1 0.2 . 1 . . . . 229 ILE CA . 15425 1 662 . 1 1 198 198 ILE CB C 13 38.4 0.2 . 1 . . . . 229 ILE CB . 15425 1 663 . 1 1 198 198 ILE N N 15 126.2 0.2 . 1 . . . . 229 ILE N . 15425 1 stop_ save_