data_15202 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15202 _Entry.Title ; Rub184b ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-04-04 _Entry.Accession_date 2007-04-04 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _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 Melanie Schwarten . . . 15202 2 Carsten Berghaus . . . 15202 3 Rolf Heumann . . . 15202 4 Raphael Stoll . . . 15202 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15202 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 379 15202 '15N chemical shifts' 131 15202 '1H chemical shifts' 243 15202 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 3 . . 2009-08-31 2007-04-04 update BMRB 'add PubMed ID' 15202 2 . . 2008-10-16 2007-04-04 update BMRB 'complete entry citation' 15202 1 . . 2007-08-23 2007-04-04 original author 'original release' 15202 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15202 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19636840 _Citation.Full_citation . _Citation.Title 'Sequence-specific 1H, 13C, and 15N backbone assignment of the activated 21 kDa GTPase rRheb' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR Assignments' _Citation.Journal_volume 1 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 105 _Citation.Page_last 108 _Citation.Year 2007 _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 Melanie Schwarten . . . 15202 1 2 Carsten Berghaus . . . 15202 1 3 Rolf Heumann . . . 15202 1 4 Raphael Stoll . . . 15202 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15202 _Assembly.ID 1 _Assembly.Name Rub184_GppNHp _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Rub184_GppNHp 1 $Rub184_GppNHp A . yes native no no . . . 15202 1 2 GppNHp 2 $GNP A . no native no no . . . 15202 1 3 Mg2+ 3 $MG A . no native no no . . . 15202 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Rub184_GppNHp _Entity.Sf_category entity _Entity.Sf_framecode Rub184_GppNHp _Entity.Entry_ID 15202 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Rub184_GppNHp _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 ; SPQSKSRKIAILGYRSVGKS SLTIQFVEGQFVDSYDPTIE NTFTKLITVNGQEYHLQLVD TAGQDEYSIFPQTYSIDING YILVYSVTSIKSFEVIKVIH GKLLDMVGKVQIPIMLVGNK KDLHMERVISYEEGKALAES WNAAFLESSAKENQTAVDVF RRIILEAEKIDGAASQGKSS CSVM ; _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 no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 184 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 BMRB 15048 . Rub184 . . . . . 100.00 184 100.00 100.00 2.54e-130 . . . . 15202 1 2 no PDB 1XTQ . "Structure Of Small Gtpase Human Rheb In Complex With Gdp" . . . . . 92.39 177 98.82 100.00 2.71e-118 . . . . 15202 1 3 no PDB 1XTR . "Structure Of Small Gtpase Human Rheb In Complex With Gppnhp" . . . . . 92.39 177 98.82 100.00 2.71e-118 . . . . 15202 1 4 no PDB 1XTS . "Structure Of Small Gtpase Human Rheb In Complex With Gtp" . . . . . 92.39 177 98.82 100.00 2.71e-118 . . . . 15202 1 5 no PDB 2L0X . "Solution Structure Of The 21 Kda Gtpase Rheb Bound To Gdp" . . . . . 91.85 169 100.00 100.00 3.19e-118 . . . . 15202 1 6 no PDB 3SEA . "Structure Of Rheb-Y35a Mutant In Gdp- And Gmppnp-Bound Forms" . . . . . 90.76 167 99.40 99.40 1.58e-115 . . . . 15202 1 7 no PDB 3T5G . "Structure Of Fully Modified Farnesylated Rheb In Complex With Pde6d" . . . . . 97.28 181 98.88 99.44 7.05e-125 . . . . 15202 1 8 no PDB 4O25 . "Structure Of Wild Type Mus Musculus Rheb Bound To Gtp" . . . . . 91.30 171 99.40 100.00 3.47e-117 . . . . 15202 1 9 no PDB 4O2L . "Structure Of Mus Musculus Rheb G63a Mutant Bound To Gtp" . . . . . 91.30 171 98.81 99.40 1.91e-116 . . . . 15202 1 10 no PDB 4O2R . "Structure Of Mus Musculus Rheb G63v Mutant Bound To Gdp" . . . . . 91.30 171 98.81 99.40 9.93e-116 . . . . 15202 1 11 no DBJ BAA11211 . "ras-related GTP-binding protein [Homo sapiens]" . . . . . 99.46 184 98.91 99.45 4.37e-128 . . . . 15202 1 12 no DBJ BAB13483 . "Ras homolog [Mus musculus]" . . . . . 99.46 184 98.91 99.45 5.75e-128 . . . . 15202 1 13 no DBJ BAE30208 . "unnamed protein product [Mus musculus]" . . . . . 99.46 184 99.45 100.00 3.70e-129 . . . . 15202 1 14 no DBJ BAF82059 . "unnamed protein product [Homo sapiens]" . . . . . 99.46 184 98.91 100.00 1.36e-128 . . . . 15202 1 15 no DBJ BAG54198 . "unnamed protein product [Homo sapiens]" . . . . . 99.46 184 99.45 100.00 2.07e-129 . . . . 15202 1 16 no EMBL CAA82774 . "Ras-related GTP-binding protein [Homo sapiens]" . . . . . 99.46 184 99.45 100.00 2.07e-129 . . . . 15202 1 17 no GB AAA21380 . "Ras-related protein [Rattus norvegicus]" . . . . . 99.46 184 100.00 100.00 9.63e-130 . . . . 15202 1 18 no GB AAD15548 . "unknown [Homo sapiens]" . . . . . 99.46 184 99.45 100.00 2.07e-129 . . . . 15202 1 19 no GB AAF73125 . "ras-related GTP-binding protein [Homo sapiens]" . . . . . 99.46 184 99.45 100.00 2.07e-129 . . . . 15202 1 20 no GB AAH12273 . "RAS-homolog enriched in brain [Mus musculus]" . . . . . 99.46 184 99.45 100.00 3.70e-129 . . . . 15202 1 21 no GB AAH16155 . "Ras homolog enriched in brain [Homo sapiens]" . . . . . 99.46 184 99.45 100.00 2.07e-129 . . . . 15202 1 22 no REF NP_001026934 . "GTP-binding protein Rheb precursor [Bos taurus]" . . . . . 99.46 184 99.45 100.00 4.65e-129 . . . . 15202 1 23 no REF NP_001155338 . "GTP-binding protein Rheb [Ovis aries]" . . . . . 99.46 184 100.00 100.00 9.63e-130 . . . . 15202 1 24 no REF NP_001232539 . "GTP-binding protein Rheb [Taeniopygia guttata]" . . . . . 99.46 184 98.91 99.45 4.88e-128 . . . . 15202 1 25 no REF NP_001248111 . "GTP-binding protein Rheb [Macaca mulatta]" . . . . . 99.46 184 99.45 100.00 2.07e-129 . . . . 15202 1 26 no REF NP_001272585 . "GTP-binding protein Rheb [Capra hircus]" . . . . . 99.46 184 98.36 98.91 1.66e-127 . . . . 15202 1 27 no SP Q15382 . "RecName: Full=GTP-binding protein Rheb; AltName: Full=Ras homolog enriched in brain; Flags: Precursor" . . . . . 99.46 184 99.45 100.00 2.07e-129 . . . . 15202 1 28 no SP Q56JV3 . "RecName: Full=GTP-binding protein Rheb; AltName: Full=Ras homolog enriched in brain; Flags: Precursor" . . . . . 99.46 184 99.45 100.00 4.65e-129 . . . . 15202 1 29 no SP Q62639 . "RecName: Full=GTP-binding protein Rheb; AltName: Full=Ras homolog enriched in brain; Flags: Precursor" . . . . . 99.46 184 100.00 100.00 9.63e-130 . . . . 15202 1 30 no SP Q921J2 . "RecName: Full=GTP-binding protein Rheb; AltName: Full=Ras homolog enriched in brain; Flags: Precursor" . . . . . 99.46 184 99.45 100.00 3.70e-129 . . . . 15202 1 31 no TPG DAA25358 . "TPA: GTP-binding protein Rheb-like [Bos taurus]" . . . . . 99.46 184 98.36 98.91 1.98e-127 . . . . 15202 1 32 no TPG DAA30304 . "TPA: GTP-binding protein Rheb precursor [Bos taurus]" . . . . . 99.46 184 100.00 100.00 9.63e-130 . . . . 15202 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 . SER . 15202 1 2 . PRO . 15202 1 3 . GLN . 15202 1 4 . SER . 15202 1 5 . LYS . 15202 1 6 . SER . 15202 1 7 . ARG . 15202 1 8 . LYS . 15202 1 9 . ILE . 15202 1 10 . ALA . 15202 1 11 . ILE . 15202 1 12 . LEU . 15202 1 13 . GLY . 15202 1 14 . TYR . 15202 1 15 . ARG . 15202 1 16 . SER . 15202 1 17 . VAL . 15202 1 18 . GLY . 15202 1 19 . LYS . 15202 1 20 . SER . 15202 1 21 . SER . 15202 1 22 . LEU . 15202 1 23 . THR . 15202 1 24 . ILE . 15202 1 25 . GLN . 15202 1 26 . PHE . 15202 1 27 . VAL . 15202 1 28 . GLU . 15202 1 29 . GLY . 15202 1 30 . GLN . 15202 1 31 . PHE . 15202 1 32 . VAL . 15202 1 33 . ASP . 15202 1 34 . SER . 15202 1 35 . TYR . 15202 1 36 . ASP . 15202 1 37 . PRO . 15202 1 38 . THR . 15202 1 39 . ILE . 15202 1 40 . GLU . 15202 1 41 . ASN . 15202 1 42 . THR . 15202 1 43 . PHE . 15202 1 44 . THR . 15202 1 45 . LYS . 15202 1 46 . LEU . 15202 1 47 . ILE . 15202 1 48 . THR . 15202 1 49 . VAL . 15202 1 50 . ASN . 15202 1 51 . GLY . 15202 1 52 . GLN . 15202 1 53 . GLU . 15202 1 54 . TYR . 15202 1 55 . HIS . 15202 1 56 . LEU . 15202 1 57 . GLN . 15202 1 58 . LEU . 15202 1 59 . VAL . 15202 1 60 . ASP . 15202 1 61 . THR . 15202 1 62 . ALA . 15202 1 63 . GLY . 15202 1 64 . GLN . 15202 1 65 . ASP . 15202 1 66 . GLU . 15202 1 67 . TYR . 15202 1 68 . SER . 15202 1 69 . ILE . 15202 1 70 . PHE . 15202 1 71 . PRO . 15202 1 72 . GLN . 15202 1 73 . THR . 15202 1 74 . TYR . 15202 1 75 . SER . 15202 1 76 . ILE . 15202 1 77 . ASP . 15202 1 78 . ILE . 15202 1 79 . ASN . 15202 1 80 . GLY . 15202 1 81 . TYR . 15202 1 82 . ILE . 15202 1 83 . LEU . 15202 1 84 . VAL . 15202 1 85 . TYR . 15202 1 86 . SER . 15202 1 87 . VAL . 15202 1 88 . THR . 15202 1 89 . SER . 15202 1 90 . ILE . 15202 1 91 . LYS . 15202 1 92 . SER . 15202 1 93 . PHE . 15202 1 94 . GLU . 15202 1 95 . VAL . 15202 1 96 . ILE . 15202 1 97 . LYS . 15202 1 98 . VAL . 15202 1 99 . ILE . 15202 1 100 . HIS . 15202 1 101 . GLY . 15202 1 102 . LYS . 15202 1 103 . LEU . 15202 1 104 . LEU . 15202 1 105 . ASP . 15202 1 106 . MET . 15202 1 107 . VAL . 15202 1 108 . GLY . 15202 1 109 . LYS . 15202 1 110 . VAL . 15202 1 111 . GLN . 15202 1 112 . ILE . 15202 1 113 . PRO . 15202 1 114 . ILE . 15202 1 115 . MET . 15202 1 116 . LEU . 15202 1 117 . VAL . 15202 1 118 . GLY . 15202 1 119 . ASN . 15202 1 120 . LYS . 15202 1 121 . LYS . 15202 1 122 . ASP . 15202 1 123 . LEU . 15202 1 124 . HIS . 15202 1 125 . MET . 15202 1 126 . GLU . 15202 1 127 . ARG . 15202 1 128 . VAL . 15202 1 129 . ILE . 15202 1 130 . SER . 15202 1 131 . TYR . 15202 1 132 . GLU . 15202 1 133 . GLU . 15202 1 134 . GLY . 15202 1 135 . LYS . 15202 1 136 . ALA . 15202 1 137 . LEU . 15202 1 138 . ALA . 15202 1 139 . GLU . 15202 1 140 . SER . 15202 1 141 . TRP . 15202 1 142 . ASN . 15202 1 143 . ALA . 15202 1 144 . ALA . 15202 1 145 . PHE . 15202 1 146 . LEU . 15202 1 147 . GLU . 15202 1 148 . SER . 15202 1 149 . SER . 15202 1 150 . ALA . 15202 1 151 . LYS . 15202 1 152 . GLU . 15202 1 153 . ASN . 15202 1 154 . GLN . 15202 1 155 . THR . 15202 1 156 . ALA . 15202 1 157 . VAL . 15202 1 158 . ASP . 15202 1 159 . VAL . 15202 1 160 . PHE . 15202 1 161 . ARG . 15202 1 162 . ARG . 15202 1 163 . ILE . 15202 1 164 . ILE . 15202 1 165 . LEU . 15202 1 166 . GLU . 15202 1 167 . ALA . 15202 1 168 . GLU . 15202 1 169 . LYS . 15202 1 170 . ILE . 15202 1 171 . ASP . 15202 1 172 . GLY . 15202 1 173 . ALA . 15202 1 174 . ALA . 15202 1 175 . SER . 15202 1 176 . GLN . 15202 1 177 . GLY . 15202 1 178 . LYS . 15202 1 179 . SER . 15202 1 180 . SER . 15202 1 181 . CYS . 15202 1 182 . SER . 15202 1 183 . VAL . 15202 1 184 . MET . 15202 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 . SER 1 1 15202 1 . PRO 2 2 15202 1 . GLN 3 3 15202 1 . SER 4 4 15202 1 . LYS 5 5 15202 1 . SER 6 6 15202 1 . ARG 7 7 15202 1 . LYS 8 8 15202 1 . ILE 9 9 15202 1 . ALA 10 10 15202 1 . ILE 11 11 15202 1 . LEU 12 12 15202 1 . GLY 13 13 15202 1 . TYR 14 14 15202 1 . ARG 15 15 15202 1 . SER 16 16 15202 1 . VAL 17 17 15202 1 . GLY 18 18 15202 1 . LYS 19 19 15202 1 . SER 20 20 15202 1 . SER 21 21 15202 1 . LEU 22 22 15202 1 . THR 23 23 15202 1 . ILE 24 24 15202 1 . GLN 25 25 15202 1 . PHE 26 26 15202 1 . VAL 27 27 15202 1 . GLU 28 28 15202 1 . GLY 29 29 15202 1 . GLN 30 30 15202 1 . PHE 31 31 15202 1 . VAL 32 32 15202 1 . ASP 33 33 15202 1 . SER 34 34 15202 1 . TYR 35 35 15202 1 . ASP 36 36 15202 1 . PRO 37 37 15202 1 . THR 38 38 15202 1 . ILE 39 39 15202 1 . GLU 40 40 15202 1 . ASN 41 41 15202 1 . THR 42 42 15202 1 . PHE 43 43 15202 1 . THR 44 44 15202 1 . LYS 45 45 15202 1 . LEU 46 46 15202 1 . ILE 47 47 15202 1 . THR 48 48 15202 1 . VAL 49 49 15202 1 . ASN 50 50 15202 1 . GLY 51 51 15202 1 . GLN 52 52 15202 1 . GLU 53 53 15202 1 . TYR 54 54 15202 1 . HIS 55 55 15202 1 . LEU 56 56 15202 1 . GLN 57 57 15202 1 . LEU 58 58 15202 1 . VAL 59 59 15202 1 . ASP 60 60 15202 1 . THR 61 61 15202 1 . ALA 62 62 15202 1 . GLY 63 63 15202 1 . GLN 64 64 15202 1 . ASP 65 65 15202 1 . GLU 66 66 15202 1 . TYR 67 67 15202 1 . SER 68 68 15202 1 . ILE 69 69 15202 1 . PHE 70 70 15202 1 . PRO 71 71 15202 1 . GLN 72 72 15202 1 . THR 73 73 15202 1 . TYR 74 74 15202 1 . SER 75 75 15202 1 . ILE 76 76 15202 1 . ASP 77 77 15202 1 . ILE 78 78 15202 1 . ASN 79 79 15202 1 . GLY 80 80 15202 1 . TYR 81 81 15202 1 . ILE 82 82 15202 1 . LEU 83 83 15202 1 . VAL 84 84 15202 1 . TYR 85 85 15202 1 . SER 86 86 15202 1 . VAL 87 87 15202 1 . THR 88 88 15202 1 . SER 89 89 15202 1 . ILE 90 90 15202 1 . LYS 91 91 15202 1 . SER 92 92 15202 1 . PHE 93 93 15202 1 . GLU 94 94 15202 1 . VAL 95 95 15202 1 . ILE 96 96 15202 1 . LYS 97 97 15202 1 . VAL 98 98 15202 1 . ILE 99 99 15202 1 . HIS 100 100 15202 1 . GLY 101 101 15202 1 . LYS 102 102 15202 1 . LEU 103 103 15202 1 . LEU 104 104 15202 1 . ASP 105 105 15202 1 . MET 106 106 15202 1 . VAL 107 107 15202 1 . GLY 108 108 15202 1 . LYS 109 109 15202 1 . VAL 110 110 15202 1 . GLN 111 111 15202 1 . ILE 112 112 15202 1 . PRO 113 113 15202 1 . ILE 114 114 15202 1 . MET 115 115 15202 1 . LEU 116 116 15202 1 . VAL 117 117 15202 1 . GLY 118 118 15202 1 . ASN 119 119 15202 1 . LYS 120 120 15202 1 . LYS 121 121 15202 1 . ASP 122 122 15202 1 . LEU 123 123 15202 1 . HIS 124 124 15202 1 . MET 125 125 15202 1 . GLU 126 126 15202 1 . ARG 127 127 15202 1 . VAL 128 128 15202 1 . ILE 129 129 15202 1 . SER 130 130 15202 1 . TYR 131 131 15202 1 . GLU 132 132 15202 1 . GLU 133 133 15202 1 . GLY 134 134 15202 1 . LYS 135 135 15202 1 . ALA 136 136 15202 1 . LEU 137 137 15202 1 . ALA 138 138 15202 1 . GLU 139 139 15202 1 . SER 140 140 15202 1 . TRP 141 141 15202 1 . ASN 142 142 15202 1 . ALA 143 143 15202 1 . ALA 144 144 15202 1 . PHE 145 145 15202 1 . LEU 146 146 15202 1 . GLU 147 147 15202 1 . SER 148 148 15202 1 . SER 149 149 15202 1 . ALA 150 150 15202 1 . LYS 151 151 15202 1 . GLU 152 152 15202 1 . ASN 153 153 15202 1 . GLN 154 154 15202 1 . THR 155 155 15202 1 . ALA 156 156 15202 1 . VAL 157 157 15202 1 . ASP 158 158 15202 1 . VAL 159 159 15202 1 . PHE 160 160 15202 1 . ARG 161 161 15202 1 . ARG 162 162 15202 1 . ILE 163 163 15202 1 . ILE 164 164 15202 1 . LEU 165 165 15202 1 . GLU 166 166 15202 1 . ALA 167 167 15202 1 . GLU 168 168 15202 1 . LYS 169 169 15202 1 . ILE 170 170 15202 1 . ASP 171 171 15202 1 . GLY 172 172 15202 1 . ALA 173 173 15202 1 . ALA 174 174 15202 1 . SER 175 175 15202 1 . GLN 176 176 15202 1 . GLY 177 177 15202 1 . LYS 178 178 15202 1 . SER 179 179 15202 1 . SER 180 180 15202 1 . CYS 181 181 15202 1 . SER 182 182 15202 1 . VAL 183 183 15202 1 . MET 184 184 15202 1 stop_ save_ save_GNP _Entity.Sf_category entity _Entity.Sf_framecode GNP _Entity.Entry_ID 15202 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name GNP _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 . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID GNP _Entity.Nonpolymer_comp_label . _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 . GNP . 15202 2 stop_ save_ save_MG _Entity.Sf_category entity _Entity.Sf_framecode MG _Entity.Entry_ID 15202 _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 . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID MG _Entity.Nonpolymer_comp_label . _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 . 15202 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 15202 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Rub184_GppNHp . 10116 organism . 'Rattus norvegicus' Rat . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . . . . . . . . . 15202 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 15202 _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 $Rub184_GppNHp . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pQE-30 . . . . . . 15202 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_GNP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_GNP _Chem_comp.Entry_ID 15202 _Chem_comp.ID GNP _Chem_comp.Provenance . _Chem_comp.Name 'PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code GNP _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _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 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic . _Chem_comp.Formula 'C10 H17 N6 O13 P3' _Chem_comp.Formula_weight 522.196 _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 . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _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 Dec 20 03:02:30 2006 ; _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 c1nc2c(=O)[nH]c(nc2n1C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N SMILES OpenEye/OEToolkits 1.4.2 15202 GNP c1nc2c(=O)[nH]c(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N SMILES_CANONICAL OpenEye/OEToolkits 1.4.2 15202 GNP InChI=1/C10H17N6O13P3/c11-10-13-7-4(8(19)14-10)12-2-16(7)9-6(18)5(17)3(28-9)1-27-32(25,26)29-31(23,24)15-30(20,21)22/h2-3,5-6,9,17-18H,1H2,(H,25,26)(H3,11,13,14,19)(H4,15,20,21,22,23,24)/t3-,5-,6-,9-/m1/s1 INCHI InChi 1 15202 GNP NC1=Nc2[n](cnc2C(=O)N1)C3OC(COP(O)(=O)OP(O)(=O)NP(O)(O)=O)C(O)C3O SMILES_CANONICAL CACTVS 2.87 15202 GNP NC1=Nc2[n](cnc2C(=O)N1)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)NP(O)(O)=O)[C@@H](O)[C@H]3O SMILES CACTVS 2.87 15202 GNP 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 '[[[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]amino]phosphonic acid' 'SYSTEMATIC NAME' OpenEye/Lexichem 1.4 15202 GNP 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 C1' . C1' . . C . R . 0 . . . . no no . . . . . . . . . . . . . . . 15202 GNP C2 . C2 . . C . N . 0 . . . . yes no . . . . . . . . . . . . . . . 15202 GNP C2' . C2' . . C . R . 0 . . . . no no . . . . . . . . . . . . . . . 15202 GNP C3' . C3' . . C . S . 0 . . . . no no . . . . . . . . . . . . . . . 15202 GNP C4 . C4 . . C . N . 0 . . . . yes no . . . . . . . . . . . . . . . 15202 GNP C4' . C4' . . C . R . 0 . . . . no no . . . . . . . . . . . . . . . 15202 GNP C5 . C5 . . C . N . 0 . . . . yes no . . . . . . . . . . . . . . . 15202 GNP C5' . C5' . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15202 GNP C6 . C6 . . C . N . 0 . . . . yes no . . . . . . . . . . . . . . . 15202 GNP C8 . C8 . . C . N . 0 . . . . yes no . . . . . . . . . . . . . . . 15202 GNP H1' . H1' . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15202 GNP H2' . H2' . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15202 GNP H3' . H3' . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15202 GNP H4' . H4' . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15202 GNP H5'1 . H5'1 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15202 GNP H5'2 . H5'2 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15202 GNP H8 . H8 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15202 GNP HN1 . HN1 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15202 GNP HN21 . HN21 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15202 GNP HN22 . HN22 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15202 GNP HNB3 . HNB3 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15202 GNP HO2' . HO2' . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15202 GNP HO3' . HO3' . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15202 GNP HOA2 . HOA2 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15202 GNP HOB2 . HOB2 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15202 GNP HOG2 . HOG2 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15202 GNP HOG3 . HOG3 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15202 GNP N1 . N1 . . N . N . 0 . . . . yes no . . . . . . . . . . . . . . . 15202 GNP N2 . N2 . . N . N . 0 . . . . no no . . . . . . . . . . . . . . . 15202 GNP N3 . N3 . . N . N . 0 . . . . yes no . . . . . . . . . . . . . . . 15202 GNP N3B . N3B . . N . N . 0 . . . . no no . . . . . . . . . . . . . . . 15202 GNP N7 . N7 . . N . N . 0 . . . . yes no . . . . . . . . . . . . . . . 15202 GNP N9 . N9 . . N . N . 0 . . . . yes no . . . . . . . . . . . . . . . 15202 GNP O1A . O1A . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15202 GNP O1B . O1B . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15202 GNP O1G . O1G . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15202 GNP O2' . O2' . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15202 GNP O2A . O2A . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15202 GNP O2B . O2B . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15202 GNP O2G . O2G . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15202 GNP O3' . O3' . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15202 GNP O3A . O3A . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15202 GNP O3G . O3G . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15202 GNP O4' . O4' . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15202 GNP O5' . O5' . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15202 GNP O6 . O6 . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15202 GNP PA . PA . . P . S . 0 . . . . no no . . . . . . . . . . . . . . . 15202 GNP PB . PB . . P . R . 0 . . . . no no . . . . . . . . . . . . . . . 15202 GNP PG . PG . . P . N . 0 . . . . no no . . . . . . . . . . . . . . . 15202 GNP stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB PG O1G . . . . 15202 GNP 2 . SING PG O2G . . . . 15202 GNP 3 . SING PG O3G . . . . 15202 GNP 4 . SING PG N3B . . . . 15202 GNP 5 . SING O2G HOG2 . . . . 15202 GNP 6 . SING O3G HOG3 . . . . 15202 GNP 7 . SING N3B PB . . . . 15202 GNP 8 . SING N3B HNB3 . . . . 15202 GNP 9 . DOUB PB O1B . . . . 15202 GNP 10 . SING PB O2B . . . . 15202 GNP 11 . SING PB O3A . . . . 15202 GNP 12 . SING O2B HOB2 . . . . 15202 GNP 13 . SING O3A PA . . . . 15202 GNP 14 . DOUB PA O1A . . . . 15202 GNP 15 . SING PA O2A . . . . 15202 GNP 16 . SING PA O5' . . . . 15202 GNP 17 . SING O2A HOA2 . . . . 15202 GNP 18 . SING O5' C5' . . . . 15202 GNP 19 . SING C5' C4' . . . . 15202 GNP 20 . SING C5' H5'2 . . . . 15202 GNP 21 . SING C5' H5'1 . . . . 15202 GNP 22 . SING C4' O4' . . . . 15202 GNP 23 . SING C4' C3' . . . . 15202 GNP 24 . SING C4' H4' . . . . 15202 GNP 25 . SING O4' C1' . . . . 15202 GNP 26 . SING C3' O3' . . . . 15202 GNP 27 . SING C3' C2' . . . . 15202 GNP 28 . SING C3' H3' . . . . 15202 GNP 29 . SING O3' HO3' . . . . 15202 GNP 30 . SING C2' O2' . . . . 15202 GNP 31 . SING C2' C1' . . . . 15202 GNP 32 . SING C2' H2' . . . . 15202 GNP 33 . SING O2' HO2' . . . . 15202 GNP 34 . SING C1' N9 . . . . 15202 GNP 35 . SING C1' H1' . . . . 15202 GNP 36 . SING N9 C8 . . . . 15202 GNP 37 . SING N9 C4 . . . . 15202 GNP 38 . DOUB C8 N7 . . . . 15202 GNP 39 . SING C8 H8 . . . . 15202 GNP 40 . SING N7 C5 . . . . 15202 GNP 41 . SING C5 C6 . . . . 15202 GNP 42 . DOUB C5 C4 . . . . 15202 GNP 43 . DOUB C6 O6 . . . . 15202 GNP 44 . SING C6 N1 . . . . 15202 GNP 45 . SING N1 C2 . . . . 15202 GNP 46 . SING N1 HN1 . . . . 15202 GNP 47 . SING C2 N2 . . . . 15202 GNP 48 . DOUB C2 N3 . . . . 15202 GNP 49 . SING N2 HN21 . . . . 15202 GNP 50 . SING N2 HN22 . . . . 15202 GNP 51 . SING N3 C4 . . . . 15202 GNP stop_ save_ save_chem_comp_MG _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_MG _Chem_comp.Entry_ID 15202 _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 . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _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 . _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 . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _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 Dec 20 04:02:19 2006 ; _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=1/Mg/q+2 INCHI InChi 1 15202 MG [Mg++] SMILES CACTVS 2.87 15202 MG [Mg++] SMILES_CANONICAL CACTVS 2.87 15202 MG [Mg+2] SMILES OpenEye/OEToolkits 1.4.2 15202 MG [Mg+2] SMILES_CANONICAL OpenEye/OEToolkits 1.4.2 15202 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(+2) cation' 'SYSTEMATIC NAME' OpenEye/Lexichem 1.4 15202 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 . . . . . . . . . . . . . . . 15202 MG stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Rub184_GppNHp_15N _Sample.Sf_category sample _Sample.Sf_framecode Rub184_GppNHp_15N _Sample.Entry_ID 15202 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'GTP-binding protein' [U-15N] . . 1 $Rub184_GppNHp . . 1.0 . . mM . . . . 15202 1 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15202 1 3 'sodium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 15202 1 4 'magnesium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 15202 1 5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 15202 1 6 TSP 'natural abundance' . . . . . . 1 . . mM . . . . 15202 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15202 1 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 15202 1 stop_ save_ save_Rub184_GppNHp_15N13C _Sample.Sf_category sample _Sample.Sf_framecode Rub184_GppNHp_15N13C _Sample.Entry_ID 15202 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'GTP-binding protein' '[U-13C; U-15N]' . . 1 $Rub184_GppNHp . . 1.0 . . mM . . . . 15202 2 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15202 2 3 'sodium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 15202 2 4 'magnesium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 15202 2 5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 15202 2 6 TSP 'natural abundance' . . . . . . 1 . . mM . . . . 15202 2 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15202 2 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 15202 2 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 15202 _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 8 . pH 15202 1 pressure 1 . atm 15202 1 temperature 298 . K 15202 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15202 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15202 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15202 1 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 15202 _Software.ID 2 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15202 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15202 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 15202 _Software.ID 3 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 15202 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15202 3 'peak picking' 15202 3 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 15202 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _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 15202 _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 DRX . 600 . . . 15202 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 15202 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $Rub184_GppNHp_15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15202 1 2 '3D HNCA' no . . . . . . . . . . 2 $Rub184_GppNHp_15N13C isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15202 1 3 '3D HN(CO)CA' no . . . . . . . . . . 2 $Rub184_GppNHp_15N13C isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15202 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $Rub184_GppNHp_15N13C isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15202 1 5 '3D HNHA' no . . . . . . . . . . 2 $Rub184_GppNHp_15N13C isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15202 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $Rub184_GppNHp_15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15202 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 15202 _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 TSP 'methyl carbon' . . . . ppm 0 internal direct 1 . . . . . . . . . 15202 1 H 1 TSP 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . . . . . 15202 1 N 15 TSP 'methyl protons' . . . . ppm 0 na indirect 0.101329118 . . . . . . . . . 15202 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 15202 _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 0.04 _Assigned_chem_shift_list.Chem_shift_15N_err 0.05 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15202 1 2 '3D HNCA' . . . 15202 1 4 '3D CBCA(CO)NH' . . . 15202 1 5 '3D HNHA' . . . 15202 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 5 5 LYS HA H 1 4.532 0.02 . 1 . . . . 5 LYS HA . 15202 1 2 . 1 1 5 5 LYS C C 13 175.415 0.05 . 1 . . . . 5 LYS C . 15202 1 3 . 1 1 5 5 LYS CA C 13 55.288 0.05 . 1 . . . . 5 LYS CA . 15202 1 4 . 1 1 5 5 LYS CB C 13 34.069 0.05 . 1 . . . . 5 LYS CB . 15202 1 5 . 1 1 6 6 SER H H 1 8.750 0.02 . 1 . . . . 6 SER HN . 15202 1 6 . 1 1 6 6 SER HA H 1 5.607 0.02 . 1 . . . . 6 SER HA . 15202 1 7 . 1 1 6 6 SER C C 13 175.375 0.05 . 1 . . . . 6 SER C . 15202 1 8 . 1 1 6 6 SER CA C 13 57.304 0.05 . 1 . . . . 6 SER CA . 15202 1 9 . 1 1 6 6 SER CB C 13 63.595 0.05 . 1 . . . . 6 SER CB . 15202 1 10 . 1 1 6 6 SER N N 15 120.326 0.05 . 1 . . . . 6 SER N . 15202 1 11 . 1 1 7 7 ARG H H 1 8.742 0.02 . 1 . . . . 7 ARG HN . 15202 1 12 . 1 1 7 7 ARG HA H 1 4.855 0.02 . 1 . . . . 7 ARG HA . 15202 1 13 . 1 1 7 7 ARG C C 13 172.954 0.05 . 1 . . . . 7 ARG C . 15202 1 14 . 1 1 7 7 ARG CA C 13 53.047 0.05 . 1 . . . . 7 ARG CA . 15202 1 15 . 1 1 7 7 ARG CB C 13 34.404 0.05 . 1 . . . . 7 ARG CB . 15202 1 16 . 1 1 7 7 ARG N N 15 125.477 0.05 . 1 . . . . 7 ARG N . 15202 1 17 . 1 1 8 8 LYS H H 1 9.368 0.02 . 1 . . . . 8 LYS HN . 15202 1 18 . 1 1 8 8 LYS HA H 1 5.550 0.02 . 1 . . . . 8 LYS HA . 15202 1 19 . 1 1 8 8 LYS C C 13 174.495 0.05 . 1 . . . . 8 LYS C . 15202 1 20 . 1 1 8 8 LYS CA C 13 54.655 0.05 . 1 . . . . 8 LYS CA . 15202 1 21 . 1 1 8 8 LYS CB C 13 34.083 0.05 . 1 . . . . 8 LYS CB . 15202 1 22 . 1 1 8 8 LYS N N 15 126.432 0.05 . 1 . . . . 8 LYS N . 15202 1 23 . 1 1 9 9 ILE H H 1 9.093 0.02 . 1 . . . . 9 ILE HN . 15202 1 24 . 1 1 9 9 ILE HA H 1 4.891 0.02 . 1 . . . . 9 ILE HA . 15202 1 25 . 1 1 9 9 ILE C C 13 173.689 0.05 . 1 . . . . 9 ILE C . 15202 1 26 . 1 1 9 9 ILE CA C 13 56.805 0.05 . 1 . . . . 9 ILE CA . 15202 1 27 . 1 1 9 9 ILE CB C 13 40.392 0.05 . 1 . . . . 9 ILE CB . 15202 1 28 . 1 1 9 9 ILE N N 15 128.676 0.05 . 1 . . . . 9 ILE N . 15202 1 29 . 1 1 10 10 ALA H H 1 7.718 0.02 . 1 . . . . 10 ALA HN . 15202 1 30 . 1 1 10 10 ALA HA H 1 4.891 0.02 . 1 . . . . 10 ALA HA . 15202 1 31 . 1 1 10 10 ALA C C 13 174.608 0.05 . 1 . . . . 10 ALA C . 15202 1 32 . 1 1 10 10 ALA CA C 13 49.786 0.05 . 1 . . . . 10 ALA CA . 15202 1 33 . 1 1 10 10 ALA CB C 13 20.463 0.05 . 1 . . . . 10 ALA CB . 15202 1 34 . 1 1 10 10 ALA N N 15 127.430 0.05 . 1 . . . . 10 ALA N . 15202 1 35 . 1 1 11 11 ILE H H 1 8.606 0.02 . 1 . . . . 11 ILE HN . 15202 1 36 . 1 1 11 11 ILE HA H 1 5.380 0.02 . 1 . . . . 11 ILE HA . 15202 1 37 . 1 1 11 11 ILE C C 13 174.693 0.05 . 1 . . . . 11 ILE C . 15202 1 38 . 1 1 11 11 ILE CA C 13 61.202 0.05 . 1 . . . . 11 ILE CA . 15202 1 39 . 1 1 11 11 ILE N N 15 123.691 0.05 . 1 . . . . 11 ILE N . 15202 1 40 . 1 1 12 12 LEU H H 1 9.465 0.02 . 1 . . . . 12 LEU HN . 15202 1 41 . 1 1 12 12 LEU HA H 1 4.779 0.02 . 1 . . . . 12 LEU HA . 15202 1 42 . 1 1 12 12 LEU C C 13 175.060 0.05 . 1 . . . . 12 LEU C . 15202 1 43 . 1 1 12 12 LEU CA C 13 53.391 0.05 . 1 . . . . 12 LEU CA . 15202 1 44 . 1 1 12 12 LEU CB C 13 46.878 0.05 . 1 . . . . 12 LEU CB . 15202 1 45 . 1 1 12 12 LEU N N 15 127.530 0.05 . 1 . . . . 12 LEU N . 15202 1 46 . 1 1 13 13 GLY H H 1 9.086 0.02 . 1 . . . . 13 GLY HN . 15202 1 47 . 1 1 13 13 GLY HA2 H 1 4.236 0.02 . 2 . . . . 13 GLY HA1 . 15202 1 48 . 1 1 13 13 GLY HA3 H 1 4.236 0.02 . 2 . . . . 13 GLY HA2 . 15202 1 49 . 1 1 13 13 GLY C C 13 171.936 0.05 . 1 . . . . 13 GLY C . 15202 1 50 . 1 1 13 13 GLY CA C 13 45.492 0.05 . 1 . . . . 13 GLY CA . 15202 1 51 . 1 1 13 13 GLY N N 15 105.649 0.05 . 1 . . . . 13 GLY N . 15202 1 52 . 1 1 14 14 TYR H H 1 9.526 0.02 . 1 . . . . 14 TYR HN . 15202 1 53 . 1 1 14 14 TYR HA H 1 4.906 0.02 . 1 . . . . 14 TYR HA . 15202 1 54 . 1 1 14 14 TYR CA C 13 56.208 0.05 . 1 . . . . 14 TYR CA . 15202 1 55 . 1 1 14 14 TYR N N 15 121.285 0.05 . 1 . . . . 14 TYR N . 15202 1 56 . 1 1 15 15 ARG C C 13 176.408 0.05 . 1 . . . . 15 ARG C . 15202 1 57 . 1 1 15 15 ARG CA C 13 56.366 0.05 . 1 . . . . 15 ARG CA . 15202 1 58 . 1 1 15 15 ARG CB C 13 32.259 0.05 . 1 . . . . 15 ARG CB . 15202 1 59 . 1 1 16 16 SER H H 1 8.604 0.02 . 1 . . . . 16 SER HN . 15202 1 60 . 1 1 16 16 SER HA H 1 4.846 0.02 . 1 . . . . 16 SER HA . 15202 1 61 . 1 1 16 16 SER C C 13 173.476 0.05 . 1 . . . . 16 SER C . 15202 1 62 . 1 1 16 16 SER CA C 13 59.389 0.05 . 1 . . . . 16 SER CA . 15202 1 63 . 1 1 16 16 SER CB C 13 61.731 0.05 . 1 . . . . 16 SER CB . 15202 1 64 . 1 1 16 16 SER N N 15 114.276 0.05 . 1 . . . . 16 SER N . 15202 1 65 . 1 1 17 17 VAL H H 1 7.391 0.02 . 1 . . . . 17 VAL HN . 15202 1 66 . 1 1 17 17 VAL HA H 1 4.011 0.02 . 1 . . . . 17 VAL HA . 15202 1 67 . 1 1 17 17 VAL C C 13 173.854 0.05 . 1 . . . . 17 VAL C . 15202 1 68 . 1 1 17 17 VAL CA C 13 62.071 0.05 . 1 . . . . 17 VAL CA . 15202 1 69 . 1 1 17 17 VAL N N 15 111.472 0.05 . 1 . . . . 17 VAL N . 15202 1 70 . 1 1 18 18 GLY H H 1 8.289 0.02 . 1 . . . . 18 GLY HN . 15202 1 71 . 1 1 18 18 GLY HA2 H 1 4.577 0.02 . 2 . . . . 18 GLY HA1 . 15202 1 72 . 1 1 18 18 GLY HA3 H 1 4.577 0.02 . 2 . . . . 18 GLY HA2 . 15202 1 73 . 1 1 18 18 GLY C C 13 173.115 0.05 . 1 . . . . 18 GLY C . 15202 1 74 . 1 1 18 18 GLY CA C 13 45.284 0.05 . 1 . . . . 18 GLY CA . 15202 1 75 . 1 1 18 18 GLY N N 15 108.021 0.05 . 1 . . . . 18 GLY N . 15202 1 76 . 1 1 19 19 LYS H H 1 8.927 0.02 . 1 . . . . 19 LYS HN . 15202 1 77 . 1 1 19 19 LYS HA H 1 5.451 0.02 . 1 . . . . 19 LYS HA . 15202 1 78 . 1 1 19 19 LYS C C 13 178.631 0.05 . 1 . . . . 19 LYS C . 15202 1 79 . 1 1 19 19 LYS CA C 13 61.029 0.05 . 1 . . . . 19 LYS CA . 15202 1 80 . 1 1 19 19 LYS CB C 13 29.188 0.05 . 1 . . . . 19 LYS CB . 15202 1 81 . 1 1 19 19 LYS N N 15 123.928 0.05 . 1 . . . . 19 LYS N . 15202 1 82 . 1 1 20 20 SER H H 1 9.656 0.02 . 1 . . . . 20 SER HN . 15202 1 83 . 1 1 20 20 SER HA H 1 4.336 0.02 . 1 . . . . 20 SER HA . 15202 1 84 . 1 1 20 20 SER C C 13 175.574 0.05 . 1 . . . . 20 SER C . 15202 1 85 . 1 1 20 20 SER CA C 13 61.158 0.05 . 1 . . . . 20 SER CA . 15202 1 86 . 1 1 20 20 SER N N 15 120.185 0.05 . 1 . . . . 20 SER N . 15202 1 87 . 1 1 21 21 SER H H 1 9.018 0.02 . 1 . . . . 21 SER HN . 15202 1 88 . 1 1 21 21 SER C C 13 177.307 0.05 . 1 . . . . 21 SER C . 15202 1 89 . 1 1 21 21 SER CA C 13 62.407 0.05 . 1 . . . . 21 SER CA . 15202 1 90 . 1 1 21 21 SER N N 15 119.942 0.05 . 1 . . . . 21 SER N . 15202 1 91 . 1 1 22 22 LEU H H 1 9.057 0.02 . 1 . . . . 22 LEU HN . 15202 1 92 . 1 1 22 22 LEU C C 13 177.169 0.05 . 1 . . . . 22 LEU C . 15202 1 93 . 1 1 22 22 LEU CA C 13 58.530 0.05 . 1 . . . . 22 LEU CA . 15202 1 94 . 1 1 22 22 LEU CB C 13 42.571 0.05 . 1 . . . . 22 LEU CB . 15202 1 95 . 1 1 22 22 LEU N N 15 125.999 0.05 . 1 . . . . 22 LEU N . 15202 1 96 . 1 1 23 23 THR H H 1 7.604 0.02 . 1 . . . . 23 THR HN . 15202 1 97 . 1 1 23 23 THR HA H 1 3.669 0.02 . 1 . . . . 23 THR HA . 15202 1 98 . 1 1 23 23 THR C C 13 173.317 0.05 . 1 . . . . 23 THR C . 15202 1 99 . 1 1 23 23 THR CA C 13 67.948 0.05 . 1 . . . . 23 THR CA . 15202 1 100 . 1 1 23 23 THR N N 15 117.421 0.05 . 1 . . . . 23 THR N . 15202 1 101 . 1 1 24 24 ILE H H 1 9.088 0.02 . 1 . . . . 24 ILE HN . 15202 1 102 . 1 1 24 24 ILE C C 13 178.365 0.05 . 1 . . . . 24 ILE C . 15202 1 103 . 1 1 24 24 ILE CA C 13 65.132 0.05 . 1 . . . . 24 ILE CA . 15202 1 104 . 1 1 24 24 ILE N N 15 123.049 0.05 . 1 . . . . 24 ILE N . 15202 1 105 . 1 1 25 25 GLN H H 1 8.057 0.02 . 1 . . . . 25 GLN HN . 15202 1 106 . 1 1 25 25 GLN HA H 1 4.180 0.02 . 1 . . . . 25 GLN HA . 15202 1 107 . 1 1 25 25 GLN C C 13 177.202 0.05 . 1 . . . . 25 GLN C . 15202 1 108 . 1 1 25 25 GLN CA C 13 58.546 0.05 . 1 . . . . 25 GLN CA . 15202 1 109 . 1 1 25 25 GLN CB C 13 29.840 0.05 . 1 . . . . 25 GLN CB . 15202 1 110 . 1 1 25 25 GLN N N 15 122.742 0.05 . 1 . . . . 25 GLN N . 15202 1 111 . 1 1 26 26 PHE H H 1 7.659 0.02 . 1 . . . . 26 PHE HN . 15202 1 112 . 1 1 26 26 PHE C C 13 176.153 0.05 . 1 . . . . 26 PHE C . 15202 1 113 . 1 1 26 26 PHE CA C 13 59.385 0.05 . 1 . . . . 26 PHE CA . 15202 1 114 . 1 1 26 26 PHE CB C 13 39.286 0.05 . 1 . . . . 26 PHE CB . 15202 1 115 . 1 1 26 26 PHE N N 15 117.838 0.05 . 1 . . . . 26 PHE N . 15202 1 116 . 1 1 27 27 VAL H H 1 8.813 0.02 . 1 . . . . 27 VAL HN . 15202 1 117 . 1 1 27 27 VAL C C 13 176.716 0.05 . 1 . . . . 27 VAL C . 15202 1 118 . 1 1 27 27 VAL CA C 13 66.390 0.05 . 1 . . . . 27 VAL CA . 15202 1 119 . 1 1 27 27 VAL CB C 13 32.070 0.05 . 1 . . . . 27 VAL CB . 15202 1 120 . 1 1 27 27 VAL N N 15 117.732 0.05 . 1 . . . . 27 VAL N . 15202 1 121 . 1 1 28 28 GLU H H 1 8.949 0.02 . 1 . . . . 28 GLU HN . 15202 1 122 . 1 1 28 28 GLU HA H 1 4.529 0.02 . 1 . . . . 28 GLU HA . 15202 1 123 . 1 1 28 28 GLU C C 13 177.421 0.05 . 1 . . . . 28 GLU C . 15202 1 124 . 1 1 28 28 GLU CA C 13 55.264 0.05 . 1 . . . . 28 GLU CA . 15202 1 125 . 1 1 28 28 GLU CB C 13 31.271 0.05 . 1 . . . . 28 GLU CB . 15202 1 126 . 1 1 28 28 GLU N N 15 116.546 0.05 . 1 . . . . 28 GLU N . 15202 1 127 . 1 1 29 29 GLY H H 1 7.769 0.02 . 1 . . . . 29 GLY HN . 15202 1 128 . 1 1 29 29 GLY HA2 H 1 4.261 0.02 . 2 . . . . 29 GLY HA1 . 15202 1 129 . 1 1 29 29 GLY C C 13 173.603 0.05 . 1 . . . . 29 GLY C . 15202 1 130 . 1 1 29 29 GLY CA C 13 46.290 0.05 . 1 . . . . 29 GLY CA . 15202 1 131 . 1 1 29 29 GLY N N 15 110.465 0.05 . 1 . . . . 29 GLY N . 15202 1 132 . 1 1 30 30 GLN H H 1 6.515 0.02 . 1 . . . . 30 GLN HN . 15202 1 133 . 1 1 30 30 GLN C C 13 173.185 0.05 . 1 . . . . 30 GLN C . 15202 1 134 . 1 1 30 30 GLN CA C 13 52.790 0.05 . 1 . . . . 30 GLN CA . 15202 1 135 . 1 1 30 30 GLN N N 15 114.042 0.05 . 1 . . . . 30 GLN N . 15202 1 136 . 1 1 31 31 PHE H H 1 8.575 0.02 . 1 . . . . 31 PHE HN . 15202 1 137 . 1 1 31 31 PHE HA H 1 4.936 0.02 . 1 . . . . 31 PHE HA . 15202 1 138 . 1 1 31 31 PHE CA C 13 55.937 0.05 . 1 . . . . 31 PHE CA . 15202 1 139 . 1 1 31 31 PHE N N 15 122.680 0.05 . 1 . . . . 31 PHE N . 15202 1 140 . 1 1 43 43 PHE C C 13 174.343 0.05 . 1 . . . . 43 PHE C . 15202 1 141 . 1 1 43 43 PHE CA C 13 55.572 0.05 . 1 . . . . 43 PHE CA . 15202 1 142 . 1 1 43 43 PHE CB C 13 43.373 0.05 . 1 . . . . 43 PHE CB . 15202 1 143 . 1 1 44 44 THR H H 1 8.724 0.02 . 1 . . . . 44 THR HN . 15202 1 144 . 1 1 44 44 THR HA H 1 5.536 0.02 . 1 . . . . 44 THR HA . 15202 1 145 . 1 1 44 44 THR C C 13 172.997 0.05 . 1 . . . . 44 THR C . 15202 1 146 . 1 1 44 44 THR CA C 13 59.698 0.05 . 1 . . . . 44 THR CA . 15202 1 147 . 1 1 44 44 THR CB C 13 71.244 0.05 . 1 . . . . 44 THR CB . 15202 1 148 . 1 1 44 44 THR N N 15 114.556 0.05 . 1 . . . . 44 THR N . 15202 1 149 . 1 1 45 45 LYS H H 1 8.365 0.02 . 1 . . . . 45 LYS HN . 15202 1 150 . 1 1 45 45 LYS HA H 1 4.393 0.02 . 1 . . . . 45 LYS HA . 15202 1 151 . 1 1 45 45 LYS C C 13 172.732 0.05 . 1 . . . . 45 LYS C . 15202 1 152 . 1 1 45 45 LYS CA C 13 54.851 0.05 . 1 . . . . 45 LYS CA . 15202 1 153 . 1 1 45 45 LYS CB C 13 42.255 0.05 . 1 . . . . 45 LYS CB . 15202 1 154 . 1 1 45 45 LYS N N 15 122.969 0.05 . 1 . . . . 45 LYS N . 15202 1 155 . 1 1 46 46 LEU H H 1 8.330 0.02 . 1 . . . . 46 LEU HN . 15202 1 156 . 1 1 46 46 LEU HA H 1 5.395 0.02 . 1 . . . . 46 LEU HA . 15202 1 157 . 1 1 46 46 LEU C C 13 176.122 0.05 . 1 . . . . 46 LEU C . 15202 1 158 . 1 1 46 46 LEU CA C 13 53.794 0.05 . 1 . . . . 46 LEU CA . 15202 1 159 . 1 1 46 46 LEU CB C 13 42.520 0.05 . 1 . . . . 46 LEU CB . 15202 1 160 . 1 1 46 46 LEU N N 15 129.370 0.05 . 1 . . . . 46 LEU N . 15202 1 161 . 1 1 47 47 ILE H H 1 9.011 0.02 . 1 . . . . 47 ILE HN . 15202 1 162 . 1 1 47 47 ILE HA H 1 4.764 0.02 . 1 . . . . 47 ILE HA . 15202 1 163 . 1 1 47 47 ILE C C 13 172.126 0.05 . 1 . . . . 47 ILE C . 15202 1 164 . 1 1 47 47 ILE CA C 13 59.473 0.05 . 1 . . . . 47 ILE CA . 15202 1 165 . 1 1 47 47 ILE CB C 13 41.934 0.05 . 1 . . . . 47 ILE CB . 15202 1 166 . 1 1 47 47 ILE N N 15 122.322 0.05 . 1 . . . . 47 ILE N . 15202 1 167 . 1 1 48 48 THR H H 1 8.603 0.02 . 1 . . . . 48 THR HN . 15202 1 168 . 1 1 48 48 THR C C 13 174.229 0.05 . 1 . . . . 48 THR C . 15202 1 169 . 1 1 48 48 THR CA C 13 61.161 0.05 . 1 . . . . 48 THR CA . 15202 1 170 . 1 1 48 48 THR CB C 13 68.921 0.05 . 1 . . . . 48 THR CB . 15202 1 171 . 1 1 48 48 THR N N 15 123.375 0.05 . 1 . . . . 48 THR N . 15202 1 172 . 1 1 49 49 VAL H H 1 9.216 0.02 . 1 . . . . 49 VAL HN . 15202 1 173 . 1 1 49 49 VAL HA H 1 4.298 0.02 . 1 . . . . 49 VAL HA . 15202 1 174 . 1 1 49 49 VAL CA C 13 61.353 0.05 . 1 . . . . 49 VAL CA . 15202 1 175 . 1 1 49 49 VAL N N 15 127.588 0.05 . 1 . . . . 49 VAL N . 15202 1 176 . 1 1 50 50 ASN C C 13 175.060 0.05 . 1 . . . . 50 ASN C . 15202 1 177 . 1 1 50 50 ASN CA C 13 53.578 0.05 . 1 . . . . 50 ASN CA . 15202 1 178 . 1 1 50 50 ASN CB C 13 36.556 0.05 . 1 . . . . 50 ASN CB . 15202 1 179 . 1 1 51 51 GLY H H 1 8.569 0.02 . 1 . . . . 51 GLY HN . 15202 1 180 . 1 1 51 51 GLY HA2 H 1 4.155 0.02 . 2 . . . . 51 GLY HA1 . 15202 1 181 . 1 1 51 51 GLY HA3 H 1 4.155 0.02 . 2 . . . . 51 GLY HA2 . 15202 1 182 . 1 1 51 51 GLY C C 13 172.590 0.05 . 1 . . . . 51 GLY C . 15202 1 183 . 1 1 51 51 GLY CA C 13 45.028 0.05 . 1 . . . . 51 GLY CA . 15202 1 184 . 1 1 51 51 GLY N N 15 103.737 0.05 . 1 . . . . 51 GLY N . 15202 1 185 . 1 1 52 52 GLN H H 1 7.782 0.02 . 1 . . . . 52 GLN HN . 15202 1 186 . 1 1 52 52 GLN HA H 1 4.523 0.02 . 1 . . . . 52 GLN HA . 15202 1 187 . 1 1 52 52 GLN C C 13 172.857 0.05 . 1 . . . . 52 GLN C . 15202 1 188 . 1 1 52 52 GLN CA C 13 53.047 0.05 . 1 . . . . 52 GLN CA . 15202 1 189 . 1 1 52 52 GLN CB C 13 30.689 0.05 . 1 . . . . 52 GLN CB . 15202 1 190 . 1 1 52 52 GLN N N 15 121.602 0.05 . 1 . . . . 52 GLN N . 15202 1 191 . 1 1 53 53 GLU H H 1 8.677 0.02 . 1 . . . . 53 GLU HN . 15202 1 192 . 1 1 53 53 GLU HA H 1 4.683 0.02 . 1 . . . . 53 GLU HA . 15202 1 193 . 1 1 53 53 GLU C C 13 175.399 0.05 . 1 . . . . 53 GLU C . 15202 1 194 . 1 1 53 53 GLU CA C 13 56.433 0.05 . 1 . . . . 53 GLU CA . 15202 1 195 . 1 1 53 53 GLU CB C 13 30.774 0.05 . 1 . . . . 53 GLU CB . 15202 1 196 . 1 1 53 53 GLU N N 15 126.820 0.05 . 1 . . . . 53 GLU N . 15202 1 197 . 1 1 54 54 TYR H H 1 9.567 0.02 . 1 . . . . 54 TYR HN . 15202 1 198 . 1 1 54 54 TYR HA H 1 5.165 0.02 . 1 . . . . 54 TYR HA . 15202 1 199 . 1 1 54 54 TYR C C 13 173.800 0.05 . 1 . . . . 54 TYR C . 15202 1 200 . 1 1 54 54 TYR CA C 13 57.056 0.05 . 1 . . . . 54 TYR CA . 15202 1 201 . 1 1 54 54 TYR CB C 13 41.008 0.05 . 1 . . . . 54 TYR CB . 15202 1 202 . 1 1 54 54 TYR N N 15 125.614 0.05 . 1 . . . . 54 TYR N . 15202 1 203 . 1 1 55 55 HIS H H 1 8.982 0.02 . 1 . . . . 55 HIS HN . 15202 1 204 . 1 1 55 55 HIS HA H 1 4.866 0.02 . 1 . . . . 55 HIS HA . 15202 1 205 . 1 1 55 55 HIS C C 13 173.965 0.05 . 1 . . . . 55 HIS C . 15202 1 206 . 1 1 55 55 HIS CA C 13 55.047 0.05 . 1 . . . . 55 HIS CA . 15202 1 207 . 1 1 55 55 HIS CB C 13 30.565 0.05 . 1 . . . . 55 HIS CB . 15202 1 208 . 1 1 55 55 HIS N N 15 124.287 0.05 . 1 . . . . 55 HIS N . 15202 1 209 . 1 1 56 56 LEU H H 1 8.980 0.02 . 1 . . . . 56 LEU HN . 15202 1 210 . 1 1 56 56 LEU HA H 1 5.124 0.02 . 1 . . . . 56 LEU HA . 15202 1 211 . 1 1 56 56 LEU C C 13 175.626 0.05 . 1 . . . . 56 LEU C . 15202 1 212 . 1 1 56 56 LEU CA C 13 53.422 0.05 . 1 . . . . 56 LEU CA . 15202 1 213 . 1 1 56 56 LEU CB C 13 43.052 0.05 . 1 . . . . 56 LEU CB . 15202 1 214 . 1 1 56 56 LEU N N 15 126.368 0.05 . 1 . . . . 56 LEU N . 15202 1 215 . 1 1 57 57 GLN H H 1 8.770 0.02 . 1 . . . . 57 GLN HN . 15202 1 216 . 1 1 57 57 GLN HA H 1 4.946 0.02 . 1 . . . . 57 GLN HA . 15202 1 217 . 1 1 57 57 GLN C C 13 173.504 0.05 . 1 . . . . 57 GLN C . 15202 1 218 . 1 1 57 57 GLN CA C 13 54.430 0.05 . 1 . . . . 57 GLN CA . 15202 1 219 . 1 1 57 57 GLN CB C 13 30.123 0.05 . 1 . . . . 57 GLN CB . 15202 1 220 . 1 1 57 57 GLN N N 15 123.384 0.05 . 1 . . . . 57 GLN N . 15202 1 221 . 1 1 58 58 LEU H H 1 9.365 0.02 . 1 . . . . 58 LEU HN . 15202 1 222 . 1 1 58 58 LEU HA H 1 5.112 0.02 . 1 . . . . 58 LEU HA . 15202 1 223 . 1 1 58 58 LEU C C 13 174.491 0.05 . 1 . . . . 58 LEU C . 15202 1 224 . 1 1 58 58 LEU CA C 13 52.518 0.05 . 1 . . . . 58 LEU CA . 15202 1 225 . 1 1 58 58 LEU CB C 13 41.979 0.05 . 1 . . . . 58 LEU CB . 15202 1 226 . 1 1 58 58 LEU N N 15 126.135 0.05 . 1 . . . . 58 LEU N . 15202 1 227 . 1 1 59 59 VAL H H 1 9.269 0.02 . 1 . . . . 59 VAL HN . 15202 1 228 . 1 1 59 59 VAL HA H 1 4.413 0.02 . 1 . . . . 59 VAL HA . 15202 1 229 . 1 1 59 59 VAL CA C 13 61.886 0.05 . 1 . . . . 59 VAL CA . 15202 1 230 . 1 1 59 59 VAL N N 15 125.433 0.05 . 1 . . . . 59 VAL N . 15202 1 231 . 1 1 77 77 ASP C C 13 173.596 0.05 . 1 . . . . 77 ASP C . 15202 1 232 . 1 1 77 77 ASP CB C 13 40.340 0.05 . 1 . . . . 77 ASP CB . 15202 1 233 . 1 1 78 78 ILE HA H 1 3.961 0.02 . 1 . . . . 78 ILE HA . 15202 1 234 . 1 1 78 78 ILE C C 13 175.956 0.05 . 1 . . . . 78 ILE C . 15202 1 235 . 1 1 78 78 ILE CA C 13 59.006 0.05 . 1 . . . . 78 ILE CA . 15202 1 236 . 1 1 78 78 ILE CB C 13 37.168 0.05 . 1 . . . . 78 ILE CB . 15202 1 237 . 1 1 79 79 ASN H H 1 9.302 0.02 . 1 . . . . 79 ASN HN . 15202 1 238 . 1 1 79 79 ASN HA H 1 4.878 0.02 . 1 . . . . 79 ASN HA . 15202 1 239 . 1 1 79 79 ASN C C 13 173.484 0.05 . 1 . . . . 79 ASN C . 15202 1 240 . 1 1 79 79 ASN CA C 13 54.643 0.05 . 1 . . . . 79 ASN CA . 15202 1 241 . 1 1 79 79 ASN CB C 13 40.935 0.05 . 1 . . . . 79 ASN CB . 15202 1 242 . 1 1 79 79 ASN N N 15 123.248 0.05 . 1 . . . . 79 ASN N . 15202 1 243 . 1 1 80 80 GLY H H 1 7.130 0.02 . 1 . . . . 80 GLY HN . 15202 1 244 . 1 1 80 80 GLY HA2 H 1 4.464 0.02 . 2 . . . . 80 GLY HA1 . 15202 1 245 . 1 1 80 80 GLY HA3 H 1 3.514 0.02 . 2 . . . . 80 GLY HA2 . 15202 1 246 . 1 1 80 80 GLY C C 13 168.712 0.05 . 1 . . . . 80 GLY C . 15202 1 247 . 1 1 80 80 GLY CA C 13 45.442 0.05 . 1 . . . . 80 GLY CA . 15202 1 248 . 1 1 80 80 GLY N N 15 104.115 0.05 . 1 . . . . 80 GLY N . 15202 1 249 . 1 1 81 81 TYR H H 1 8.383 0.02 . 1 . . . . 81 TYR HN . 15202 1 250 . 1 1 81 81 TYR HA H 1 5.288 0.02 . 1 . . . . 81 TYR HA . 15202 1 251 . 1 1 81 81 TYR C C 13 173.292 0.05 . 1 . . . . 81 TYR C . 15202 1 252 . 1 1 81 81 TYR CA C 13 57.198 0.05 . 1 . . . . 81 TYR CA . 15202 1 253 . 1 1 81 81 TYR CB C 13 41.960 0.05 . 1 . . . . 81 TYR CB . 15202 1 254 . 1 1 81 81 TYR N N 15 119.270 0.05 . 1 . . . . 81 TYR N . 15202 1 255 . 1 1 82 82 ILE H H 1 9.070 0.02 . 1 . . . . 82 ILE HN . 15202 1 256 . 1 1 82 82 ILE HA H 1 4.543 0.02 . 1 . . . . 82 ILE HA . 15202 1 257 . 1 1 82 82 ILE C C 13 172.903 0.05 . 1 . . . . 82 ILE C . 15202 1 258 . 1 1 82 82 ILE CA C 13 59.807 0.05 . 1 . . . . 82 ILE CA . 15202 1 259 . 1 1 82 82 ILE CB C 13 38.414 0.05 . 1 . . . . 82 ILE CB . 15202 1 260 . 1 1 82 82 ILE N N 15 122.750 0.05 . 1 . . . . 82 ILE N . 15202 1 261 . 1 1 83 83 LEU H H 1 9.389 0.02 . 1 . . . . 83 LEU HN . 15202 1 262 . 1 1 83 83 LEU HA H 1 4.998 0.02 . 1 . . . . 83 LEU HA . 15202 1 263 . 1 1 83 83 LEU C C 13 173.561 0.05 . 1 . . . . 83 LEU C . 15202 1 264 . 1 1 83 83 LEU CA C 13 53.924 0.05 . 1 . . . . 83 LEU CA . 15202 1 265 . 1 1 83 83 LEU CB C 13 40.985 0.05 . 1 . . . . 83 LEU CB . 15202 1 266 . 1 1 83 83 LEU N N 15 132.278 0.05 . 1 . . . . 83 LEU N . 15202 1 267 . 1 1 84 84 VAL H H 1 9.149 0.02 . 1 . . . . 84 VAL HN . 15202 1 268 . 1 1 84 84 VAL HA H 1 5.234 0.02 . 1 . . . . 84 VAL HA . 15202 1 269 . 1 1 84 84 VAL C C 13 175.267 0.05 . 1 . . . . 84 VAL C . 15202 1 270 . 1 1 84 84 VAL CA C 13 60.353 0.05 . 1 . . . . 84 VAL CA . 15202 1 271 . 1 1 84 84 VAL CB C 13 33.475 0.05 . 1 . . . . 84 VAL CB . 15202 1 272 . 1 1 84 84 VAL N N 15 124.287 0.05 . 1 . . . . 84 VAL N . 15202 1 273 . 1 1 85 85 TYR H H 1 9.315 0.02 . 1 . . . . 85 TYR HN . 15202 1 274 . 1 1 85 85 TYR HA H 1 5.061 0.02 . 1 . . . . 85 TYR HA . 15202 1 275 . 1 1 85 85 TYR C C 13 171.762 0.05 . 1 . . . . 85 TYR C . 15202 1 276 . 1 1 85 85 TYR CA C 13 55.553 0.05 . 1 . . . . 85 TYR CA . 15202 1 277 . 1 1 85 85 TYR CB C 13 39.524 0.05 . 1 . . . . 85 TYR CB . 15202 1 278 . 1 1 85 85 TYR N N 15 124.520 0.05 . 1 . . . . 85 TYR N . 15202 1 279 . 1 1 86 86 SER H H 1 9.196 0.02 . 1 . . . . 86 SER HN . 15202 1 280 . 1 1 86 86 SER HA H 1 5.098 0.02 . 1 . . . . 86 SER HA . 15202 1 281 . 1 1 86 86 SER C C 13 176.765 0.05 . 1 . . . . 86 SER C . 15202 1 282 . 1 1 86 86 SER CA C 13 53.753 0.05 . 1 . . . . 86 SER CA . 15202 1 283 . 1 1 86 86 SER CB C 13 64.325 0.05 . 1 . . . . 86 SER CB . 15202 1 284 . 1 1 86 86 SER N N 15 113.420 0.05 . 1 . . . . 86 SER N . 15202 1 285 . 1 1 87 87 VAL H H 1 8.999 0.02 . 1 . . . . 87 VAL HN . 15202 1 286 . 1 1 87 87 VAL HA H 1 4.740 0.02 . 1 . . . . 87 VAL HA . 15202 1 287 . 1 1 87 87 VAL C C 13 175.245 0.05 . 1 . . . . 87 VAL C . 15202 1 288 . 1 1 87 87 VAL CA C 13 63.320 0.05 . 1 . . . . 87 VAL CA . 15202 1 289 . 1 1 87 87 VAL CB C 13 30.008 0.05 . 1 . . . . 87 VAL CB . 15202 1 290 . 1 1 87 87 VAL N N 15 121.569 0.05 . 1 . . . . 87 VAL N . 15202 1 291 . 1 1 88 88 THR H H 1 8.408 0.02 . 1 . . . . 88 THR HN . 15202 1 292 . 1 1 88 88 THR HA H 1 4.835 0.02 . 1 . . . . 88 THR HA . 15202 1 293 . 1 1 88 88 THR C C 13 174.206 0.05 . 1 . . . . 88 THR C . 15202 1 294 . 1 1 88 88 THR CA C 13 60.931 0.05 . 1 . . . . 88 THR CA . 15202 1 295 . 1 1 88 88 THR CB C 13 68.519 0.05 . 1 . . . . 88 THR CB . 15202 1 296 . 1 1 88 88 THR N N 15 111.417 0.05 . 1 . . . . 88 THR N . 15202 1 297 . 1 1 89 89 SER H H 1 7.806 0.02 . 1 . . . . 89 SER HN . 15202 1 298 . 1 1 89 89 SER HA H 1 5.158 0.02 . 1 . . . . 89 SER HA . 15202 1 299 . 1 1 89 89 SER C C 13 174.852 0.05 . 1 . . . . 89 SER C . 15202 1 300 . 1 1 89 89 SER CA C 13 54.969 0.05 . 1 . . . . 89 SER CA . 15202 1 301 . 1 1 89 89 SER CB C 13 63.355 0.05 . 1 . . . . 89 SER CB . 15202 1 302 . 1 1 89 89 SER N N 15 117.311 0.05 . 1 . . . . 89 SER N . 15202 1 303 . 1 1 90 90 ILE H H 1 9.144 0.02 . 1 . . . . 90 ILE HN . 15202 1 304 . 1 1 90 90 ILE HA H 1 3.974 0.02 . 1 . . . . 90 ILE HA . 15202 1 305 . 1 1 90 90 ILE C C 13 177.927 0.05 . 1 . . . . 90 ILE C . 15202 1 306 . 1 1 90 90 ILE CA C 13 64.225 0.05 . 1 . . . . 90 ILE CA . 15202 1 307 . 1 1 90 90 ILE CB C 13 37.100 0.05 . 1 . . . . 90 ILE CB . 15202 1 308 . 1 1 90 90 ILE N N 15 134.264 0.05 . 1 . . . . 90 ILE N . 15202 1 309 . 1 1 91 91 LYS H H 1 8.574 0.02 . 1 . . . . 91 LYS HN . 15202 1 310 . 1 1 91 91 LYS C C 13 177.819 0.05 . 1 . . . . 91 LYS C . 15202 1 311 . 1 1 91 91 LYS CA C 13 57.447 0.05 . 1 . . . . 91 LYS CA . 15202 1 312 . 1 1 91 91 LYS CB C 13 31.506 0.05 . 1 . . . . 91 LYS CB . 15202 1 313 . 1 1 91 91 LYS N N 15 122.680 0.05 . 1 . . . . 91 LYS N . 15202 1 314 . 1 1 92 92 SER H H 1 8.355 0.02 . 1 . . . . 92 SER HN . 15202 1 315 . 1 1 92 92 SER HA H 1 4.365 0.02 . 1 . . . . 92 SER HA . 15202 1 316 . 1 1 92 92 SER C C 13 174.900 0.05 . 1 . . . . 92 SER C . 15202 1 317 . 1 1 92 92 SER CA C 13 61.179 0.05 . 1 . . . . 92 SER CA . 15202 1 318 . 1 1 92 92 SER CB C 13 62.700 0.05 . 1 . . . . 92 SER CB . 15202 1 319 . 1 1 92 92 SER N N 15 114.351 0.05 . 1 . . . . 92 SER N . 15202 1 320 . 1 1 93 93 PHE H H 1 7.759 0.02 . 1 . . . . 93 PHE HN . 15202 1 321 . 1 1 93 93 PHE HA H 1 4.212 0.02 . 1 . . . . 93 PHE HA . 15202 1 322 . 1 1 93 93 PHE C C 13 175.429 0.05 . 1 . . . . 93 PHE C . 15202 1 323 . 1 1 93 93 PHE CA C 13 59.436 0.05 . 1 . . . . 93 PHE CA . 15202 1 324 . 1 1 93 93 PHE CB C 13 40.630 0.05 . 1 . . . . 93 PHE CB . 15202 1 325 . 1 1 93 93 PHE N N 15 131.459 0.05 . 1 . . . . 93 PHE N . 15202 1 326 . 1 1 94 94 GLU H H 1 8.337 0.02 . 1 . . . . 94 GLU HN . 15202 1 327 . 1 1 94 94 GLU HA H 1 3.919 0.02 . 1 . . . . 94 GLU HA . 15202 1 328 . 1 1 94 94 GLU C C 13 181.043 0.05 . 1 . . . . 94 GLU C . 15202 1 329 . 1 1 94 94 GLU CA C 13 58.886 0.05 . 1 . . . . 94 GLU CA . 15202 1 330 . 1 1 94 94 GLU CB C 13 28.865 0.05 . 1 . . . . 94 GLU CB . 15202 1 331 . 1 1 94 94 GLU N N 15 119.312 0.05 . 1 . . . . 94 GLU N . 15202 1 332 . 1 1 95 95 VAL H H 1 8.822 0.02 . 1 . . . . 95 VAL HN . 15202 1 333 . 1 1 95 95 VAL C C 13 177.860 0.05 . 1 . . . . 95 VAL C . 15202 1 334 . 1 1 95 95 VAL CA C 13 66.220 0.05 . 1 . . . . 95 VAL CA . 15202 1 335 . 1 1 95 95 VAL N N 15 118.336 0.05 . 1 . . . . 95 VAL N . 15202 1 336 . 1 1 96 96 ILE H H 1 7.909 0.02 . 1 . . . . 96 ILE HN . 15202 1 337 . 1 1 96 96 ILE HA H 1 4.519 0.02 . 1 . . . . 96 ILE HA . 15202 1 338 . 1 1 96 96 ILE C C 13 176.290 0.05 . 1 . . . . 96 ILE C . 15202 1 339 . 1 1 96 96 ILE CA C 13 60.324 0.05 . 1 . . . . 96 ILE CA . 15202 1 340 . 1 1 96 96 ILE CB C 13 38.145 0.05 . 1 . . . . 96 ILE CB . 15202 1 341 . 1 1 96 96 ILE N N 15 122.912 0.05 . 1 . . . . 96 ILE N . 15202 1 342 . 1 1 97 97 LYS H H 1 7.034 0.02 . 1 . . . . 97 LYS HN . 15202 1 343 . 1 1 97 97 LYS C C 13 178.955 0.05 . 1 . . . . 97 LYS C . 15202 1 344 . 1 1 97 97 LYS CA C 13 59.677 0.05 . 1 . . . . 97 LYS CA . 15202 1 345 . 1 1 97 97 LYS CB C 13 32.276 0.05 . 1 . . . . 97 LYS CB . 15202 1 346 . 1 1 97 97 LYS N N 15 121.127 0.05 . 1 . . . . 97 LYS N . 15202 1 347 . 1 1 98 98 VAL H H 1 7.242 0.02 . 1 . . . . 98 VAL HN . 15202 1 348 . 1 1 98 98 VAL HA H 1 3.789 0.02 . 1 . . . . 98 VAL HA . 15202 1 349 . 1 1 98 98 VAL C C 13 178.953 0.05 . 1 . . . . 98 VAL C . 15202 1 350 . 1 1 98 98 VAL CA C 13 65.442 0.05 . 1 . . . . 98 VAL CA . 15202 1 351 . 1 1 98 98 VAL CB C 13 31.107 0.05 . 1 . . . . 98 VAL CB . 15202 1 352 . 1 1 98 98 VAL N N 15 122.449 0.05 . 1 . . . . 98 VAL N . 15202 1 353 . 1 1 99 99 ILE H H 1 8.772 0.02 . 1 . . . . 99 ILE HN . 15202 1 354 . 1 1 99 99 ILE C C 13 176.375 0.05 . 1 . . . . 99 ILE C . 15202 1 355 . 1 1 99 99 ILE CA C 13 65.740 0.05 . 1 . . . . 99 ILE CA . 15202 1 356 . 1 1 99 99 ILE N N 15 122.196 0.05 . 1 . . . . 99 ILE N . 15202 1 357 . 1 1 100 100 HIS H H 1 6.193 0.02 . 1 . . . . 100 HIS HN . 15202 1 358 . 1 1 100 100 HIS C C 13 175.069 0.05 . 1 . . . . 100 HIS C . 15202 1 359 . 1 1 100 100 HIS CA C 13 60.895 0.05 . 1 . . . . 100 HIS CA . 15202 1 360 . 1 1 100 100 HIS CB C 13 29.542 0.05 . 1 . . . . 100 HIS CB . 15202 1 361 . 1 1 100 100 HIS N N 15 118.323 0.05 . 1 . . . . 100 HIS N . 15202 1 362 . 1 1 101 101 GLY H H 1 7.465 0.02 . 1 . . . . 101 GLY HN . 15202 1 363 . 1 1 101 101 GLY HA2 H 1 3.858 0.02 . 2 . . . . 101 GLY HA1 . 15202 1 364 . 1 1 101 101 GLY HA3 H 1 3.858 0.02 . 2 . . . . 101 GLY HA2 . 15202 1 365 . 1 1 101 101 GLY C C 13 175.791 0.05 . 1 . . . . 101 GLY C . 15202 1 366 . 1 1 101 101 GLY CA C 13 46.919 0.05 . 1 . . . . 101 GLY CA . 15202 1 367 . 1 1 101 101 GLY N N 15 104.395 0.05 . 1 . . . . 101 GLY N . 15202 1 368 . 1 1 102 102 LYS H H 1 7.715 0.02 . 1 . . . . 102 LYS HN . 15202 1 369 . 1 1 102 102 LYS CA C 13 59.053 0.05 . 1 . . . . 102 LYS CA . 15202 1 370 . 1 1 102 102 LYS N N 15 122.197 0.05 . 1 . . . . 102 LYS N . 15202 1 371 . 1 1 104 104 LEU C C 13 179.895 0.05 . 1 . . . . 104 LEU C . 15202 1 372 . 1 1 104 104 LEU CA C 13 57.053 0.05 . 1 . . . . 104 LEU CA . 15202 1 373 . 1 1 104 104 LEU CB C 13 39.937 0.05 . 1 . . . . 104 LEU CB . 15202 1 374 . 1 1 105 105 ASP H H 1 7.473 0.02 . 1 . . . . 105 ASP HN . 15202 1 375 . 1 1 105 105 ASP C C 13 177.437 0.05 . 1 . . . . 105 ASP C . 15202 1 376 . 1 1 105 105 ASP CA C 13 56.343 0.05 . 1 . . . . 105 ASP CA . 15202 1 377 . 1 1 105 105 ASP CB C 13 39.669 0.05 . 1 . . . . 105 ASP CB . 15202 1 378 . 1 1 105 105 ASP N N 15 119.254 0.05 . 1 . . . . 105 ASP N . 15202 1 379 . 1 1 106 106 MET H H 1 7.549 0.02 . 1 . . . . 106 MET HN . 15202 1 380 . 1 1 106 106 MET C C 13 177.804 0.05 . 1 . . . . 106 MET C . 15202 1 381 . 1 1 106 106 MET CA C 13 57.058 0.05 . 1 . . . . 106 MET CA . 15202 1 382 . 1 1 106 106 MET CB C 13 32.465 0.05 . 1 . . . . 106 MET CB . 15202 1 383 . 1 1 106 106 MET N N 15 118.413 0.05 . 1 . . . . 106 MET N . 15202 1 384 . 1 1 107 107 VAL H H 1 8.171 0.02 . 1 . . . . 107 VAL HN . 15202 1 385 . 1 1 107 107 VAL HA H 1 4.236 0.02 . 1 . . . . 107 VAL HA . 15202 1 386 . 1 1 107 107 VAL C C 13 177.010 0.05 . 1 . . . . 107 VAL C . 15202 1 387 . 1 1 107 107 VAL CA C 13 62.827 0.05 . 1 . . . . 107 VAL CA . 15202 1 388 . 1 1 107 107 VAL CB C 13 31.763 0.05 . 1 . . . . 107 VAL CB . 15202 1 389 . 1 1 107 107 VAL N N 15 114.714 0.05 . 1 . . . . 107 VAL N . 15202 1 390 . 1 1 108 108 GLY H H 1 7.891 0.02 . 1 . . . . 108 GLY HN . 15202 1 391 . 1 1 108 108 GLY HA2 H 1 4.035 0.02 . 2 . . . . 108 GLY HA1 . 15202 1 392 . 1 1 108 108 GLY HA3 H 1 3.816 0.02 . 2 . . . . 108 GLY HA2 . 15202 1 393 . 1 1 108 108 GLY C C 13 176.369 0.05 . 1 . . . . 108 GLY C . 15202 1 394 . 1 1 108 108 GLY CA C 13 45.588 0.05 . 1 . . . . 108 GLY CA . 15202 1 395 . 1 1 108 108 GLY N N 15 109.710 0.05 . 1 . . . . 108 GLY N . 15202 1 396 . 1 1 109 109 LYS H H 1 8.138 0.02 . 1 . . . . 109 LYS HN . 15202 1 397 . 1 1 109 109 LYS C C 13 175.548 0.05 . 1 . . . . 109 LYS C . 15202 1 398 . 1 1 109 109 LYS CA C 13 57.641 0.05 . 1 . . . . 109 LYS CA . 15202 1 399 . 1 1 109 109 LYS CB C 13 31.944 0.05 . 1 . . . . 109 LYS CB . 15202 1 400 . 1 1 109 109 LYS N N 15 118.303 0.05 . 1 . . . . 109 LYS N . 15202 1 401 . 1 1 110 110 VAL H H 1 7.618 0.02 . 1 . . . . 110 VAL HN . 15202 1 402 . 1 1 110 110 VAL HA H 1 4.164 0.02 . 1 . . . . 110 VAL HA . 15202 1 403 . 1 1 110 110 VAL C C 13 174.997 0.05 . 1 . . . . 110 VAL C . 15202 1 404 . 1 1 110 110 VAL CA C 13 61.457 0.05 . 1 . . . . 110 VAL CA . 15202 1 405 . 1 1 110 110 VAL CB C 13 32.659 0.05 . 1 . . . . 110 VAL CB . 15202 1 406 . 1 1 110 110 VAL N N 15 119.100 0.05 . 1 . . . . 110 VAL N . 15202 1 407 . 1 1 111 111 GLN H H 1 8.341 0.02 . 1 . . . . 111 GLN HN . 15202 1 408 . 1 1 111 111 GLN HA H 1 4.444 0.02 . 1 . . . . 111 GLN HA . 15202 1 409 . 1 1 111 111 GLN C C 13 174.258 0.05 . 1 . . . . 111 GLN C . 15202 1 410 . 1 1 111 111 GLN CA C 13 55.435 0.05 . 1 . . . . 111 GLN CA . 15202 1 411 . 1 1 111 111 GLN CB C 13 28.334 0.05 . 1 . . . . 111 GLN CB . 15202 1 412 . 1 1 111 111 GLN N N 15 123.552 0.05 . 1 . . . . 111 GLN N . 15202 1 413 . 1 1 112 112 ILE H H 1 7.953 0.02 . 1 . . . . 112 ILE HN . 15202 1 414 . 1 1 112 112 ILE HA H 1 4.835 0.02 . 1 . . . . 112 ILE HA . 15202 1 415 . 1 1 112 112 ILE CA C 13 57.081 0.05 . 1 . . . . 112 ILE CA . 15202 1 416 . 1 1 112 112 ILE N N 15 123.148 0.05 . 1 . . . . 112 ILE N . 15202 1 417 . 1 1 113 113 PRO C C 13 174.797 0.05 . 1 . . . . 113 PRO C . 15202 1 418 . 1 1 113 113 PRO CA C 13 62.533 0.05 . 1 . . . . 113 PRO CA . 15202 1 419 . 1 1 113 113 PRO CB C 13 30.774 0.05 . 1 . . . . 113 PRO CB . 15202 1 420 . 1 1 114 114 ILE H H 1 8.560 0.02 . 1 . . . . 114 ILE HN . 15202 1 421 . 1 1 114 114 ILE HA H 1 5.220 0.02 . 1 . . . . 114 ILE HA . 15202 1 422 . 1 1 114 114 ILE C C 13 173.832 0.05 . 1 . . . . 114 ILE C . 15202 1 423 . 1 1 114 114 ILE CA C 13 59.495 0.05 . 1 . . . . 114 ILE CA . 15202 1 424 . 1 1 114 114 ILE CB C 13 41.681 0.05 . 1 . . . . 114 ILE CB . 15202 1 425 . 1 1 114 114 ILE N N 15 125.454 0.05 . 1 . . . . 114 ILE N . 15202 1 426 . 1 1 115 115 MET H H 1 8.598 0.02 . 1 . . . . 115 MET HN . 15202 1 427 . 1 1 115 115 MET HA H 1 5.065 0.02 . 1 . . . . 115 MET HA . 15202 1 428 . 1 1 115 115 MET C C 13 171.647 0.05 . 1 . . . . 115 MET C . 15202 1 429 . 1 1 115 115 MET CA C 13 53.103 0.05 . 1 . . . . 115 MET CA . 15202 1 430 . 1 1 115 115 MET CB C 13 36.637 0.05 . 1 . . . . 115 MET CB . 15202 1 431 . 1 1 115 115 MET N N 15 125.496 0.05 . 1 . . . . 115 MET N . 15202 1 432 . 1 1 116 116 LEU H H 1 9.196 0.02 . 1 . . . . 116 LEU HN . 15202 1 433 . 1 1 116 116 LEU HA H 1 5.518 0.02 . 1 . . . . 116 LEU HA . 15202 1 434 . 1 1 116 116 LEU C C 13 173.207 0.05 . 1 . . . . 116 LEU C . 15202 1 435 . 1 1 116 116 LEU CA C 13 53.277 0.05 . 1 . . . . 116 LEU CA . 15202 1 436 . 1 1 116 116 LEU CB C 13 44.367 0.05 . 1 . . . . 116 LEU CB . 15202 1 437 . 1 1 116 116 LEU N N 15 130.707 0.05 . 1 . . . . 116 LEU N . 15202 1 438 . 1 1 117 117 VAL H H 1 9.188 0.02 . 1 . . . . 117 VAL HN . 15202 1 439 . 1 1 117 117 VAL HA H 1 5.076 0.02 . 1 . . . . 117 VAL HA . 15202 1 440 . 1 1 117 117 VAL C C 13 173.561 0.05 . 1 . . . . 117 VAL C . 15202 1 441 . 1 1 117 117 VAL CA C 13 59.030 0.05 . 1 . . . . 117 VAL CA . 15202 1 442 . 1 1 117 117 VAL CB C 13 35.732 0.05 . 1 . . . . 117 VAL CB . 15202 1 443 . 1 1 117 117 VAL N N 15 126.044 0.05 . 1 . . . . 117 VAL N . 15202 1 444 . 1 1 118 118 GLY H H 1 7.888 0.02 . 1 . . . . 118 GLY HN . 15202 1 445 . 1 1 118 118 GLY C C 13 171.130 0.05 . 1 . . . . 118 GLY C . 15202 1 446 . 1 1 118 118 GLY CA C 13 44.252 0.05 . 1 . . . . 118 GLY CA . 15202 1 447 . 1 1 118 118 GLY N N 15 113.154 0.05 . 1 . . . . 118 GLY N . 15202 1 448 . 1 1 119 119 ASN H H 1 8.918 0.02 . 1 . . . . 119 ASN HN . 15202 1 449 . 1 1 119 119 ASN HA H 1 5.447 0.02 . 1 . . . . 119 ASN HA . 15202 1 450 . 1 1 119 119 ASN C C 13 173.637 0.05 . 1 . . . . 119 ASN C . 15202 1 451 . 1 1 119 119 ASN CA C 13 51.319 0.05 . 1 . . . . 119 ASN CA . 15202 1 452 . 1 1 119 119 ASN CB C 13 40.717 0.05 . 1 . . . . 119 ASN CB . 15202 1 453 . 1 1 119 119 ASN N N 15 123.748 0.05 . 1 . . . . 119 ASN N . 15202 1 454 . 1 1 120 120 LYS H H 1 7.133 0.02 . 1 . . . . 120 LYS HN . 15202 1 455 . 1 1 120 120 LYS HA H 1 4.225 0.02 . 1 . . . . 120 LYS HA . 15202 1 456 . 1 1 120 120 LYS C C 13 177.151 0.05 . 1 . . . . 120 LYS C . 15202 1 457 . 1 1 120 120 LYS CA C 13 57.634 0.05 . 1 . . . . 120 LYS CA . 15202 1 458 . 1 1 120 120 LYS CB C 13 28.728 0.05 . 1 . . . . 120 LYS CB . 15202 1 459 . 1 1 120 120 LYS N N 15 111.557 0.05 . 1 . . . . 120 LYS N . 15202 1 460 . 1 1 121 121 LYS H H 1 8.497 0.02 . 1 . . . . 121 LYS HN . 15202 1 461 . 1 1 121 121 LYS C C 13 174.891 0.05 . 1 . . . . 121 LYS C . 15202 1 462 . 1 1 121 121 LYS CA C 13 57.651 0.05 . 1 . . . . 121 LYS CA . 15202 1 463 . 1 1 121 121 LYS CB C 13 31.041 0.05 . 1 . . . . 121 LYS CB . 15202 1 464 . 1 1 121 121 LYS N N 15 115.934 0.05 . 1 . . . . 121 LYS N . 15202 1 465 . 1 1 122 122 ASP H H 1 8.501 0.02 . 1 . . . . 122 ASP HN . 15202 1 466 . 1 1 122 122 ASP HA H 1 4.518 0.02 . 1 . . . . 122 ASP HA . 15202 1 467 . 1 1 122 122 ASP C C 13 176.070 0.05 . 1 . . . . 122 ASP C . 15202 1 468 . 1 1 122 122 ASP CA C 13 54.293 0.05 . 1 . . . . 122 ASP CA . 15202 1 469 . 1 1 122 122 ASP CB C 13 40.303 0.05 . 1 . . . . 122 ASP CB . 15202 1 470 . 1 1 122 122 ASP N N 15 116.561 0.05 . 1 . . . . 122 ASP N . 15202 1 471 . 1 1 123 123 LEU H H 1 7.666 0.02 . 1 . . . . 123 LEU HN . 15202 1 472 . 1 1 123 123 LEU HA H 1 4.707 0.02 . 1 . . . . 123 LEU HA . 15202 1 473 . 1 1 123 123 LEU C C 13 177.451 0.05 . 1 . . . . 123 LEU C . 15202 1 474 . 1 1 123 123 LEU CA C 13 52.164 0.05 . 1 . . . . 123 LEU CA . 15202 1 475 . 1 1 123 123 LEU CB C 13 38.121 0.05 . 1 . . . . 123 LEU CB . 15202 1 476 . 1 1 123 123 LEU N N 15 124.903 0.05 . 1 . . . . 123 LEU N . 15202 1 477 . 1 1 124 124 HIS H H 1 7.522 0.02 . 1 . . . . 124 HIS HN . 15202 1 478 . 1 1 124 124 HIS HA H 1 4.121 0.02 . 1 . . . . 124 HIS HA . 15202 1 479 . 1 1 124 124 HIS C C 13 177.975 0.05 . 1 . . . . 124 HIS C . 15202 1 480 . 1 1 124 124 HIS CA C 13 58.948 0.05 . 1 . . . . 124 HIS CA . 15202 1 481 . 1 1 124 124 HIS CB C 13 30.501 0.05 . 1 . . . . 124 HIS CB . 15202 1 482 . 1 1 124 124 HIS N N 15 120.308 0.05 . 1 . . . . 124 HIS N . 15202 1 483 . 1 1 125 125 MET H H 1 8.583 0.02 . 1 . . . . 125 MET HN . 15202 1 484 . 1 1 125 125 MET HA H 1 4.414 0.02 . 1 . . . . 125 MET HA . 15202 1 485 . 1 1 125 125 MET C C 13 176.669 0.05 . 1 . . . . 125 MET C . 15202 1 486 . 1 1 125 125 MET CA C 13 56.316 0.05 . 1 . . . . 125 MET CA . 15202 1 487 . 1 1 125 125 MET CB C 13 30.705 0.05 . 1 . . . . 125 MET CB . 15202 1 488 . 1 1 125 125 MET N N 15 117.839 0.05 . 1 . . . . 125 MET N . 15202 1 489 . 1 1 126 126 GLU H H 1 7.699 0.02 . 1 . . . . 126 GLU HN . 15202 1 490 . 1 1 126 126 GLU HA H 1 4.423 0.02 . 1 . . . . 126 GLU HA . 15202 1 491 . 1 1 126 126 GLU C C 13 174.917 0.05 . 1 . . . . 126 GLU C . 15202 1 492 . 1 1 126 126 GLU CA C 13 54.995 0.05 . 1 . . . . 126 GLU CA . 15202 1 493 . 1 1 126 126 GLU CB C 13 30.569 0.05 . 1 . . . . 126 GLU CB . 15202 1 494 . 1 1 126 126 GLU N N 15 118.194 0.05 . 1 . . . . 126 GLU N . 15202 1 495 . 1 1 127 127 ARG H H 1 6.965 0.02 . 1 . . . . 127 ARG HN . 15202 1 496 . 1 1 127 127 ARG HA H 1 3.721 0.02 . 1 . . . . 127 ARG HA . 15202 1 497 . 1 1 127 127 ARG C C 13 176.235 0.05 . 1 . . . . 127 ARG C . 15202 1 498 . 1 1 127 127 ARG CA C 13 57.965 0.05 . 1 . . . . 127 ARG CA . 15202 1 499 . 1 1 127 127 ARG CB C 13 25.981 0.05 . 1 . . . . 127 ARG CB . 15202 1 500 . 1 1 127 127 ARG CZ C 13 160.774 0.05 . 1 . . . . 127 ARG CZ . 15202 1 501 . 1 1 127 127 ARG N N 15 121.100 0.05 . 1 . . . . 127 ARG N . 15202 1 502 . 1 1 128 128 VAL H H 1 9.172 0.02 . 1 . . . . 128 VAL HN . 15202 1 503 . 1 1 128 128 VAL C C 13 173.972 0.05 . 1 . . . . 128 VAL C . 15202 1 504 . 1 1 128 128 VAL CA C 13 60.734 0.05 . 1 . . . . 128 VAL CA . 15202 1 505 . 1 1 128 128 VAL CB C 13 33.393 0.05 . 1 . . . . 128 VAL CB . 15202 1 506 . 1 1 128 128 VAL N N 15 120.344 0.05 . 1 . . . . 128 VAL N . 15202 1 507 . 1 1 129 129 ILE H H 1 7.546 0.02 . 1 . . . . 129 ILE HN . 15202 1 508 . 1 1 129 129 ILE HA H 1 4.196 0.02 . 1 . . . . 129 ILE HA . 15202 1 509 . 1 1 129 129 ILE C C 13 174.515 0.05 . 1 . . . . 129 ILE C . 15202 1 510 . 1 1 129 129 ILE CA C 13 58.849 0.05 . 1 . . . . 129 ILE CA . 15202 1 511 . 1 1 129 129 ILE CB C 13 38.653 0.05 . 1 . . . . 129 ILE CB . 15202 1 512 . 1 1 129 129 ILE N N 15 124.173 0.05 . 1 . . . . 129 ILE N . 15202 1 513 . 1 1 130 130 SER H H 1 8.980 0.02 . 1 . . . . 130 SER HN . 15202 1 514 . 1 1 130 130 SER HA H 1 4.531 0.02 . 1 . . . . 130 SER HA . 15202 1 515 . 1 1 130 130 SER C C 13 175.954 0.05 . 1 . . . . 130 SER C . 15202 1 516 . 1 1 130 130 SER CA C 13 57.615 0.05 . 1 . . . . 130 SER CA . 15202 1 517 . 1 1 130 130 SER CB C 13 65.491 0.05 . 1 . . . . 130 SER CB . 15202 1 518 . 1 1 130 130 SER N N 15 123.594 0.05 . 1 . . . . 130 SER N . 15202 1 519 . 1 1 131 131 TYR H H 1 9.403 0.02 . 1 . . . . 131 TYR HN . 15202 1 520 . 1 1 131 131 TYR HA H 1 4.282 0.02 . 1 . . . . 131 TYR HA . 15202 1 521 . 1 1 131 131 TYR C C 13 176.389 0.05 . 1 . . . . 131 TYR C . 15202 1 522 . 1 1 131 131 TYR CA C 13 61.689 0.05 . 1 . . . . 131 TYR CA . 15202 1 523 . 1 1 131 131 TYR CB C 13 38.167 0.05 . 1 . . . . 131 TYR CB . 15202 1 524 . 1 1 131 131 TYR N N 15 127.689 0.05 . 1 . . . . 131 TYR N . 15202 1 525 . 1 1 132 132 GLU H H 1 8.853 0.02 . 1 . . . . 132 GLU HN . 15202 1 526 . 1 1 132 132 GLU HA H 1 4.800 0.02 . 1 . . . . 132 GLU HA . 15202 1 527 . 1 1 132 132 GLU C C 13 178.861 0.05 . 1 . . . . 132 GLU C . 15202 1 528 . 1 1 132 132 GLU CA C 13 60.181 0.05 . 1 . . . . 132 GLU CA . 15202 1 529 . 1 1 132 132 GLU N N 15 116.603 0.05 . 1 . . . . 132 GLU N . 15202 1 530 . 1 1 133 133 GLU H H 1 7.906 0.02 . 1 . . . . 133 GLU HN . 15202 1 531 . 1 1 133 133 GLU HA H 1 3.858 0.02 . 1 . . . . 133 GLU HA . 15202 1 532 . 1 1 133 133 GLU C C 13 179.273 0.05 . 1 . . . . 133 GLU C . 15202 1 533 . 1 1 133 133 GLU CA C 13 58.822 0.05 . 1 . . . . 133 GLU CA . 15202 1 534 . 1 1 133 133 GLU CB C 13 29.339 0.05 . 1 . . . . 133 GLU CB . 15202 1 535 . 1 1 133 133 GLU N N 15 121.473 0.05 . 1 . . . . 133 GLU N . 15202 1 536 . 1 1 134 134 GLY H H 1 7.196 0.02 . 1 . . . . 134 GLY HN . 15202 1 537 . 1 1 134 134 GLY HA2 H 1 3.680 0.02 . 2 . . . . 134 GLY HA1 . 15202 1 538 . 1 1 134 134 GLY HA3 H 1 3.397 0.02 . 2 . . . . 134 GLY HA2 . 15202 1 539 . 1 1 134 134 GLY C C 13 173.289 0.05 . 1 . . . . 134 GLY C . 15202 1 540 . 1 1 134 134 GLY CA C 13 47.321 0.05 . 1 . . . . 134 GLY CA . 15202 1 541 . 1 1 134 134 GLY N N 15 109.141 0.05 . 1 . . . . 134 GLY N . 15202 1 542 . 1 1 135 135 LYS H H 1 7.600 0.02 . 1 . . . . 135 LYS HN . 15202 1 543 . 1 1 135 135 LYS C C 13 177.679 0.05 . 1 . . . . 135 LYS C . 15202 1 544 . 1 1 135 135 LYS CA C 13 58.055 0.05 . 1 . . . . 135 LYS CA . 15202 1 545 . 1 1 135 135 LYS CB C 13 31.838 0.05 . 1 . . . . 135 LYS CB . 15202 1 546 . 1 1 135 135 LYS N N 15 123.019 0.05 . 1 . . . . 135 LYS N . 15202 1 547 . 1 1 136 136 ALA H H 1 7.773 0.02 . 1 . . . . 136 ALA HN . 15202 1 548 . 1 1 136 136 ALA HA H 1 3.954 0.02 . 1 . . . . 136 ALA HA . 15202 1 549 . 1 1 136 136 ALA C C 13 180.409 0.05 . 1 . . . . 136 ALA C . 15202 1 550 . 1 1 136 136 ALA CA C 13 53.978 0.05 . 1 . . . . 136 ALA CA . 15202 1 551 . 1 1 136 136 ALA CB C 13 17.384 0.05 . 1 . . . . 136 ALA CB . 15202 1 552 . 1 1 136 136 ALA N N 15 119.557 0.05 . 1 . . . . 136 ALA N . 15202 1 553 . 1 1 137 137 LEU H H 1 7.061 0.02 . 1 . . . . 137 LEU HN . 15202 1 554 . 1 1 137 137 LEU HA H 1 3.632 0.02 . 1 . . . . 137 LEU HA . 15202 1 555 . 1 1 137 137 LEU C C 13 178.104 0.05 . 1 . . . . 137 LEU C . 15202 1 556 . 1 1 137 137 LEU CA C 13 56.534 0.05 . 1 . . . . 137 LEU CA . 15202 1 557 . 1 1 137 137 LEU CB C 13 45.051 0.05 . 1 . . . . 137 LEU CB . 15202 1 558 . 1 1 137 137 LEU N N 15 122.180 0.05 . 1 . . . . 137 LEU N . 15202 1 559 . 1 1 138 138 ALA H H 1 7.785 0.02 . 1 . . . . 138 ALA HN . 15202 1 560 . 1 1 138 138 ALA C C 13 180.162 0.05 . 1 . . . . 138 ALA C . 15202 1 561 . 1 1 138 138 ALA CA C 13 55.063 0.05 . 1 . . . . 138 ALA CA . 15202 1 562 . 1 1 138 138 ALA CB C 13 18.360 0.05 . 1 . . . . 138 ALA CB . 15202 1 563 . 1 1 138 138 ALA N N 15 122.015 0.05 . 1 . . . . 138 ALA N . 15202 1 564 . 1 1 139 139 GLU H H 1 8.620 0.02 . 1 . . . . 139 GLU HN . 15202 1 565 . 1 1 139 139 GLU HA H 1 4.128 0.02 . 1 . . . . 139 GLU HA . 15202 1 566 . 1 1 139 139 GLU C C 13 180.408 0.05 . 1 . . . . 139 GLU C . 15202 1 567 . 1 1 139 139 GLU CA C 13 59.150 0.05 . 1 . . . . 139 GLU CA . 15202 1 568 . 1 1 139 139 GLU CB C 13 28.645 0.05 . 1 . . . . 139 GLU CB . 15202 1 569 . 1 1 139 139 GLU N N 15 118.657 0.05 . 1 . . . . 139 GLU N . 15202 1 570 . 1 1 140 140 SER H H 1 7.755 0.02 . 1 . . . . 140 SER HN . 15202 1 571 . 1 1 140 140 SER HA H 1 4.363 0.02 . 1 . . . . 140 SER HA . 15202 1 572 . 1 1 140 140 SER C C 13 174.835 0.05 . 1 . . . . 140 SER C . 15202 1 573 . 1 1 140 140 SER CA C 13 60.876 0.05 . 1 . . . . 140 SER CA . 15202 1 574 . 1 1 140 140 SER CB C 13 62.525 0.05 . 1 . . . . 140 SER CB . 15202 1 575 . 1 1 140 140 SER N N 15 118.667 0.05 . 1 . . . . 140 SER N . 15202 1 576 . 1 1 141 141 TRP H H 1 7.456 0.02 . 1 . . . . 141 TRP HN . 15202 1 577 . 1 1 141 141 TRP HA H 1 4.945 0.02 . 1 . . . . 141 TRP HA . 15202 1 578 . 1 1 141 141 TRP C C 13 176.370 0.05 . 1 . . . . 141 TRP C . 15202 1 579 . 1 1 141 141 TRP CA C 13 53.589 0.05 . 1 . . . . 141 TRP CA . 15202 1 580 . 1 1 141 141 TRP CB C 13 30.427 0.05 . 1 . . . . 141 TRP CB . 15202 1 581 . 1 1 141 141 TRP N N 15 123.137 0.05 . 1 . . . . 141 TRP N . 15202 1 582 . 1 1 142 142 ASN H H 1 8.278 0.02 . 1 . . . . 142 ASN HN . 15202 1 583 . 1 1 142 142 ASN HA H 1 4.480 0.02 . 1 . . . . 142 ASN HA . 15202 1 584 . 1 1 142 142 ASN C C 13 173.146 0.05 . 1 . . . . 142 ASN C . 15202 1 585 . 1 1 142 142 ASN CA C 13 54.282 0.05 . 1 . . . . 142 ASN CA . 15202 1 586 . 1 1 142 142 ASN CB C 13 37.098 0.05 . 1 . . . . 142 ASN CB . 15202 1 587 . 1 1 142 142 ASN N N 15 118.040 0.05 . 1 . . . . 142 ASN N . 15202 1 588 . 1 1 143 143 ALA H H 1 8.439 0.02 . 1 . . . . 143 ALA HN . 15202 1 589 . 1 1 143 143 ALA HA H 1 5.047 0.02 . 1 . . . . 143 ALA HA . 15202 1 590 . 1 1 143 143 ALA C C 13 176.064 0.05 . 1 . . . . 143 ALA C . 15202 1 591 . 1 1 143 143 ALA CA C 13 50.061 0.05 . 1 . . . . 143 ALA CA . 15202 1 592 . 1 1 143 143 ALA CB C 13 22.063 0.05 . 1 . . . . 143 ALA CB . 15202 1 593 . 1 1 143 143 ALA N N 15 120.757 0.05 . 1 . . . . 143 ALA N . 15202 1 594 . 1 1 144 144 ALA H H 1 7.906 0.02 . 1 . . . . 144 ALA HN . 15202 1 595 . 1 1 144 144 ALA C C 13 175.160 0.05 . 1 . . . . 144 ALA C . 15202 1 596 . 1 1 144 144 ALA CA C 13 51.527 0.05 . 1 . . . . 144 ALA CA . 15202 1 597 . 1 1 144 144 ALA CB C 13 19.607 0.05 . 1 . . . . 144 ALA CB . 15202 1 598 . 1 1 144 144 ALA N N 15 123.409 0.05 . 1 . . . . 144 ALA N . 15202 1 599 . 1 1 145 145 PHE H H 1 8.119 0.02 . 1 . . . . 145 PHE HN . 15202 1 600 . 1 1 145 145 PHE HA H 1 6.024 0.02 . 1 . . . . 145 PHE HA . 15202 1 601 . 1 1 145 145 PHE C C 13 174.322 0.05 . 1 . . . . 145 PHE C . 15202 1 602 . 1 1 145 145 PHE CA C 13 55.928 0.05 . 1 . . . . 145 PHE CA . 15202 1 603 . 1 1 145 145 PHE CB C 13 43.297 0.05 . 1 . . . . 145 PHE CB . 15202 1 604 . 1 1 145 145 PHE N N 15 120.147 0.05 . 1 . . . . 145 PHE N . 15202 1 605 . 1 1 146 146 LEU H H 1 7.650 0.02 . 1 . . . . 146 LEU HN . 15202 1 606 . 1 1 146 146 LEU HA H 1 3.985 0.02 . 1 . . . . 146 LEU HA . 15202 1 607 . 1 1 146 146 LEU C C 13 173.980 0.05 . 1 . . . . 146 LEU C . 15202 1 608 . 1 1 146 146 LEU CA C 13 53.823 0.05 . 1 . . . . 146 LEU CA . 15202 1 609 . 1 1 146 146 LEU CB C 13 47.742 0.05 . 1 . . . . 146 LEU CB . 15202 1 610 . 1 1 146 146 LEU N N 15 128.638 0.05 . 1 . . . . 146 LEU N . 15202 1 611 . 1 1 147 147 GLU H H 1 7.748 0.02 . 1 . . . . 147 GLU HN . 15202 1 612 . 1 1 147 147 GLU HA H 1 5.062 0.02 . 1 . . . . 147 GLU HA . 15202 1 613 . 1 1 147 147 GLU C C 13 176.042 0.05 . 1 . . . . 147 GLU C . 15202 1 614 . 1 1 147 147 GLU CA C 13 54.346 0.05 . 1 . . . . 147 GLU CA . 15202 1 615 . 1 1 147 147 GLU CB C 13 32.565 0.05 . 1 . . . . 147 GLU CB . 15202 1 616 . 1 1 147 147 GLU N N 15 115.078 0.05 . 1 . . . . 147 GLU N . 15202 1 617 . 1 1 148 148 SER H H 1 9.197 0.02 . 1 . . . . 148 SER HN . 15202 1 618 . 1 1 148 148 SER HA H 1 4.460 0.02 . 1 . . . . 148 SER HA . 15202 1 619 . 1 1 148 148 SER C C 13 173.021 0.05 . 1 . . . . 148 SER C . 15202 1 620 . 1 1 148 148 SER CA C 13 57.196 0.05 . 1 . . . . 148 SER CA . 15202 1 621 . 1 1 148 148 SER CB C 13 67.479 0.05 . 1 . . . . 148 SER CB . 15202 1 622 . 1 1 148 148 SER N N 15 115.570 0.05 . 1 . . . . 148 SER N . 15202 1 623 . 1 1 149 149 SER H H 1 8.558 0.02 . 1 . . . . 149 SER HN . 15202 1 624 . 1 1 149 149 SER HA H 1 4.933 0.02 . 1 . . . . 149 SER HA . 15202 1 625 . 1 1 149 149 SER C C 13 175.408 0.05 . 1 . . . . 149 SER C . 15202 1 626 . 1 1 149 149 SER CA C 13 57.117 0.05 . 1 . . . . 149 SER CA . 15202 1 627 . 1 1 149 149 SER CB C 13 65.465 0.05 . 1 . . . . 149 SER CB . 15202 1 628 . 1 1 149 149 SER N N 15 113.001 0.05 . 1 . . . . 149 SER N . 15202 1 629 . 1 1 150 150 ALA H H 1 9.538 0.02 . 1 . . . . 150 ALA HN . 15202 1 630 . 1 1 150 150 ALA HA H 1 4.013 0.02 . 1 . . . . 150 ALA HA . 15202 1 631 . 1 1 150 150 ALA C C 13 174.996 0.05 . 1 . . . . 150 ALA C . 15202 1 632 . 1 1 150 150 ALA CA C 13 53.690 0.05 . 1 . . . . 150 ALA CA . 15202 1 633 . 1 1 150 150 ALA CB C 13 18.170 0.05 . 1 . . . . 150 ALA CB . 15202 1 634 . 1 1 150 150 ALA N N 15 132.496 0.05 . 1 . . . . 150 ALA N . 15202 1 635 . 1 1 151 151 LYS H H 1 7.562 0.02 . 1 . . . . 151 LYS HN . 15202 1 636 . 1 1 151 151 LYS HA H 1 3.480 0.02 . 1 . . . . 151 LYS HA . 15202 1 637 . 1 1 151 151 LYS C C 13 175.902 0.05 . 1 . . . . 151 LYS C . 15202 1 638 . 1 1 151 151 LYS CA C 13 56.953 0.05 . 1 . . . . 151 LYS CA . 15202 1 639 . 1 1 151 151 LYS CB C 13 32.481 0.05 . 1 . . . . 151 LYS CB . 15202 1 640 . 1 1 151 151 LYS N N 15 113.774 0.05 . 1 . . . . 151 LYS N . 15202 1 641 . 1 1 152 152 GLU H H 1 7.709 0.02 . 1 . . . . 152 GLU HN . 15202 1 642 . 1 1 152 152 GLU HA H 1 4.574 0.02 . 1 . . . . 152 GLU HA . 15202 1 643 . 1 1 152 152 GLU CA C 13 54.036 0.05 . 1 . . . . 152 GLU CA . 15202 1 644 . 1 1 152 152 GLU N N 15 120.401 0.05 . 1 . . . . 152 GLU N . 15202 1 645 . 1 1 153 153 ASN C C 13 175.681 0.05 . 1 . . . . 153 ASN C . 15202 1 646 . 1 1 153 153 ASN CA C 13 59.316 0.05 . 1 . . . . 153 ASN CA . 15202 1 647 . 1 1 153 153 ASN CB C 13 40.373 0.05 . 1 . . . . 153 ASN CB . 15202 1 648 . 1 1 154 154 GLN H H 1 9.450 0.02 . 1 . . . . 154 GLN HN . 15202 1 649 . 1 1 154 154 GLN HA H 1 5.375 0.02 . 1 . . . . 154 GLN HA . 15202 1 650 . 1 1 154 154 GLN C C 13 177.503 0.05 . 1 . . . . 154 GLN C . 15202 1 651 . 1 1 154 154 GLN CA C 13 58.552 0.05 . 1 . . . . 154 GLN CA . 15202 1 652 . 1 1 154 154 GLN CB C 13 27.801 0.05 . 1 . . . . 154 GLN CB . 15202 1 653 . 1 1 154 154 GLN N N 15 116.487 0.05 . 1 . . . . 154 GLN N . 15202 1 654 . 1 1 155 155 THR H H 1 7.425 0.02 . 1 . . . . 155 THR HN . 15202 1 655 . 1 1 155 155 THR HA H 1 4.436 0.02 . 1 . . . . 155 THR HA . 15202 1 656 . 1 1 155 155 THR C C 13 175.126 0.05 . 1 . . . . 155 THR C . 15202 1 657 . 1 1 155 155 THR CA C 13 63.459 0.05 . 1 . . . . 155 THR CA . 15202 1 658 . 1 1 155 155 THR CB C 13 68.541 0.05 . 1 . . . . 155 THR CB . 15202 1 659 . 1 1 155 155 THR N N 15 107.955 0.05 . 1 . . . . 155 THR N . 15202 1 660 . 1 1 156 156 ALA H H 1 7.183 0.02 . 1 . . . . 156 ALA HN . 15202 1 661 . 1 1 156 156 ALA HA H 1 4.089 0.02 . 1 . . . . 156 ALA HA . 15202 1 662 . 1 1 156 156 ALA C C 13 178.141 0.05 . 1 . . . . 156 ALA C . 15202 1 663 . 1 1 156 156 ALA CA C 13 54.538 0.05 . 1 . . . . 156 ALA CA . 15202 1 664 . 1 1 156 156 ALA CB C 13 18.358 0.05 . 1 . . . . 156 ALA CB . 15202 1 665 . 1 1 156 156 ALA N N 15 126.026 0.05 . 1 . . . . 156 ALA N . 15202 1 666 . 1 1 157 157 VAL H H 1 8.325 0.02 . 1 . . . . 157 VAL HN . 15202 1 667 . 1 1 157 157 VAL HA H 1 4.809 0.02 . 1 . . . . 157 VAL HA . 15202 1 668 . 1 1 157 157 VAL C C 13 177.346 0.05 . 1 . . . . 157 VAL C . 15202 1 669 . 1 1 157 157 VAL CA C 13 66.426 0.05 . 1 . . . . 157 VAL CA . 15202 1 670 . 1 1 157 157 VAL CB C 13 31.406 0.05 . 1 . . . . 157 VAL CB . 15202 1 671 . 1 1 157 157 VAL N N 15 117.863 0.05 . 1 . . . . 157 VAL N . 15202 1 672 . 1 1 158 158 ASP H H 1 8.043 0.02 . 1 . . . . 158 ASP HN . 15202 1 673 . 1 1 158 158 ASP HA H 1 4.355 0.02 . 1 . . . . 158 ASP HA . 15202 1 674 . 1 1 158 158 ASP C C 13 178.195 0.05 . 1 . . . . 158 ASP C . 15202 1 675 . 1 1 158 158 ASP CA C 13 57.256 0.05 . 1 . . . . 158 ASP CA . 15202 1 676 . 1 1 158 158 ASP CB C 13 39.839 0.05 . 1 . . . . 158 ASP CB . 15202 1 677 . 1 1 158 158 ASP N N 15 118.419 0.05 . 1 . . . . 158 ASP N . 15202 1 678 . 1 1 159 159 VAL H H 1 7.278 0.02 . 1 . . . . 159 VAL HN . 15202 1 679 . 1 1 159 159 VAL HA H 1 3.246 0.02 . 1 . . . . 159 VAL HA . 15202 1 680 . 1 1 159 159 VAL C C 13 175.278 0.05 . 1 . . . . 159 VAL C . 15202 1 681 . 1 1 159 159 VAL CA C 13 66.154 0.05 . 1 . . . . 159 VAL CA . 15202 1 682 . 1 1 159 159 VAL CB C 13 31.088 0.05 . 1 . . . . 159 VAL CB . 15202 1 683 . 1 1 159 159 VAL N N 15 119.806 0.05 . 1 . . . . 159 VAL N . 15202 1 684 . 1 1 160 160 PHE H H 1 6.821 0.02 . 1 . . . . 160 PHE HN . 15202 1 685 . 1 1 160 160 PHE HA H 1 2.925 0.02 . 1 . . . . 160 PHE HA . 15202 1 686 . 1 1 160 160 PHE C C 13 176.895 0.05 . 1 . . . . 160 PHE C . 15202 1 687 . 1 1 160 160 PHE CA C 13 61.465 0.05 . 1 . . . . 160 PHE CA . 15202 1 688 . 1 1 160 160 PHE CB C 13 38.039 0.05 . 1 . . . . 160 PHE CB . 15202 1 689 . 1 1 160 160 PHE N N 15 116.243 0.05 . 1 . . . . 160 PHE N . 15202 1 690 . 1 1 161 161 ARG H H 1 8.586 0.02 . 1 . . . . 161 ARG HN . 15202 1 691 . 1 1 161 161 ARG HA H 1 3.725 0.02 . 1 . . . . 161 ARG HA . 15202 1 692 . 1 1 161 161 ARG C C 13 177.838 0.05 . 1 . . . . 161 ARG C . 15202 1 693 . 1 1 161 161 ARG CA C 13 59.679 0.05 . 1 . . . . 161 ARG CA . 15202 1 694 . 1 1 161 161 ARG CB C 13 30.110 0.05 . 1 . . . . 161 ARG CB . 15202 1 695 . 1 1 161 161 ARG N N 15 118.107 0.05 . 1 . . . . 161 ARG N . 15202 1 696 . 1 1 162 162 ARG H H 1 7.955 0.02 . 1 . . . . 162 ARG HN . 15202 1 697 . 1 1 162 162 ARG HA H 1 4.303 0.02 . 1 . . . . 162 ARG HA . 15202 1 698 . 1 1 162 162 ARG C C 13 178.626 0.05 . 1 . . . . 162 ARG C . 15202 1 699 . 1 1 162 162 ARG CA C 13 57.497 0.05 . 1 . . . . 162 ARG CA . 15202 1 700 . 1 1 162 162 ARG N N 15 117.374 0.05 . 1 . . . . 162 ARG N . 15202 1 701 . 1 1 163 163 ILE H H 1 7.637 0.02 . 1 . . . . 163 ILE HN . 15202 1 702 . 1 1 163 163 ILE C C 13 175.555 0.05 . 1 . . . . 163 ILE C . 15202 1 703 . 1 1 163 163 ILE CA C 13 60.214 0.05 . 1 . . . . 163 ILE CA . 15202 1 704 . 1 1 163 163 ILE CB C 13 36.573 0.05 . 1 . . . . 163 ILE CB . 15202 1 705 . 1 1 163 163 ILE N N 15 119.067 0.05 . 1 . . . . 163 ILE N . 15202 1 706 . 1 1 164 164 ILE H H 1 6.958 0.02 . 1 . . . . 164 ILE HN . 15202 1 707 . 1 1 164 164 ILE HA H 1 3.495 0.02 . 1 . . . . 164 ILE HA . 15202 1 708 . 1 1 164 164 ILE C C 13 177.686 0.05 . 1 . . . . 164 ILE C . 15202 1 709 . 1 1 164 164 ILE CA C 13 63.335 0.05 . 1 . . . . 164 ILE CA . 15202 1 710 . 1 1 164 164 ILE N N 15 124.483 0.05 . 1 . . . . 164 ILE N . 15202 1 711 . 1 1 165 165 LEU H H 1 7.891 0.02 . 1 . . . . 165 LEU HN . 15202 1 712 . 1 1 165 165 LEU HA H 1 3.997 0.02 . 1 . . . . 165 LEU HA . 15202 1 713 . 1 1 165 165 LEU C C 13 180.242 0.05 . 1 . . . . 165 LEU C . 15202 1 714 . 1 1 165 165 LEU CA C 13 57.730 0.05 . 1 . . . . 165 LEU CA . 15202 1 715 . 1 1 165 165 LEU CB C 13 40.851 0.05 . 1 . . . . 165 LEU CB . 15202 1 716 . 1 1 165 165 LEU N N 15 121.200 0.05 . 1 . . . . 165 LEU N . 15202 1 717 . 1 1 166 166 GLU H H 1 8.515 0.02 . 1 . . . . 166 GLU HN . 15202 1 718 . 1 1 166 166 GLU HA H 1 4.125 0.02 . 1 . . . . 166 GLU HA . 15202 1 719 . 1 1 166 166 GLU C C 13 178.439 0.05 . 1 . . . . 166 GLU C . 15202 1 720 . 1 1 166 166 GLU CA C 13 58.094 0.05 . 1 . . . . 166 GLU CA . 15202 1 721 . 1 1 166 166 GLU CB C 13 29.054 0.05 . 1 . . . . 166 GLU CB . 15202 1 722 . 1 1 166 166 GLU N N 15 120.047 0.05 . 1 . . . . 166 GLU N . 15202 1 723 . 1 1 167 167 ALA H H 1 8.199 0.02 . 1 . . . . 167 ALA HN . 15202 1 724 . 1 1 167 167 ALA C C 13 179.036 0.05 . 1 . . . . 167 ALA C . 15202 1 725 . 1 1 167 167 ALA CA C 13 54.506 0.05 . 1 . . . . 167 ALA CA . 15202 1 726 . 1 1 167 167 ALA CB C 13 16.799 0.05 . 1 . . . . 167 ALA CB . 15202 1 727 . 1 1 167 167 ALA N N 15 123.062 0.05 . 1 . . . . 167 ALA N . 15202 1 728 . 1 1 168 168 GLU H H 1 8.151 0.02 . 1 . . . . 168 GLU HN . 15202 1 729 . 1 1 168 168 GLU CA C 13 57.937 0.05 . 1 . . . . 168 GLU CA . 15202 1 730 . 1 1 168 168 GLU N N 15 118.300 0.05 . 1 . . . . 168 GLU N . 15202 1 731 . 1 1 169 169 LYS H H 1 7.695 0.02 . 1 . . . . 169 LYS HN . 15202 1 732 . 1 1 169 169 LYS C C 13 178.193 0.05 . 1 . . . . 169 LYS C . 15202 1 733 . 1 1 169 169 LYS CA C 13 58.346 0.05 . 1 . . . . 169 LYS CA . 15202 1 734 . 1 1 169 169 LYS CB C 13 29.235 0.05 . 1 . . . . 169 LYS CB . 15202 1 735 . 1 1 169 169 LYS N N 15 120.412 0.05 . 1 . . . . 169 LYS N . 15202 1 736 . 1 1 170 170 ILE H H 1 7.682 0.02 . 1 . . . . 170 ILE HN . 15202 1 737 . 1 1 170 170 ILE C C 13 176.887 0.05 . 1 . . . . 170 ILE C . 15202 1 738 . 1 1 170 170 ILE CA C 13 62.654 0.05 . 1 . . . . 170 ILE CA . 15202 1 739 . 1 1 170 170 ILE N N 15 120.194 0.05 . 1 . . . . 170 ILE N . 15202 1 740 . 1 1 171 171 ASP H H 1 8.335 0.02 . 1 . . . . 171 ASP HN . 15202 1 741 . 1 1 171 171 ASP HA H 1 4.623 0.02 . 1 . . . . 171 ASP HA . 15202 1 742 . 1 1 171 171 ASP C C 13 177.580 0.05 . 1 . . . . 171 ASP C . 15202 1 743 . 1 1 171 171 ASP CA C 13 55.444 0.05 . 1 . . . . 171 ASP CA . 15202 1 744 . 1 1 171 171 ASP CB C 13 40.132 0.05 . 1 . . . . 171 ASP CB . 15202 1 745 . 1 1 171 171 ASP N N 15 122.578 0.05 . 1 . . . . 171 ASP N . 15202 1 746 . 1 1 172 172 GLY H H 1 8.200 0.02 . 1 . . . . 172 GLY HN . 15202 1 747 . 1 1 172 172 GLY HA2 H 1 4.007 0.02 . 2 . . . . 172 GLY HA1 . 15202 1 748 . 1 1 172 172 GLY C C 13 174.214 0.05 . 1 . . . . 172 GLY C . 15202 1 749 . 1 1 172 172 GLY CA C 13 45.459 0.05 . 1 . . . . 172 GLY CA . 15202 1 750 . 1 1 172 172 GLY N N 15 109.029 0.05 . 1 . . . . 172 GLY N . 15202 1 751 . 1 1 173 173 ALA H H 1 7.988 0.02 . 1 . . . . 173 ALA HN . 15202 1 752 . 1 1 173 173 ALA CA C 13 52.593 0.05 . 1 . . . . 173 ALA CA . 15202 1 753 . 1 1 173 173 ALA N N 15 124.363 0.05 . 1 . . . . 173 ALA N . 15202 1 stop_ save_