data_6970 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 6970 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 'NMR study of the activated form of the small Rho-GTPase Rac1' . '1H, 15N, 13C assignments for the activated form of the small Rho-GTPase Rac1' 6970 1 stop_ loop_ _Study_keyword.Study_ID _Study_keyword.Keyword _Study_keyword.Entry_ID _Study_keyword.Study_list_ID . GTPase 6970 1 . 'NMR assignment' 6970 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6970 _Entry.Title ; 1H, 15N, 13C assignments for the activated form of the small Rho-GTPase Rac1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-02-06 _Entry.Accession_date 2006-02-06 _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 . _Entry.Details ; 1H, 15N, 13C assignments for the activated form of the small Rho-GTPase Rac1. Rac1 is loaded with GMPPNP and Mg2+ ; _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 Sabine Bouguet-Bonnet . . . 6970 2 Matthias Buck . . . 6970 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6970 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 576 6970 '15N chemical shifts' 141 6970 '1H chemical shifts' 141 6970 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2007-02-08 2006-02-06 update BMRB 'complete entry citation' 6970 1 . . 2006-08-07 2006-02-06 original author 'original release' 6970 stop_ save_ ############### # Citations # ############### save_citation1 _Citation.Sf_category citations _Citation.Sf_framecode citation1 _Citation.Entry_ID 6970 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16858624 _Citation.Full_citation . _Citation.Title ; 1H, 15N, 13C assignments for the activated form of the small Rho-GTPase Rac1 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 36 _Citation.Journal_issue 'Suppl. 5' _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 51 _Citation.Page_last 51 _Citation.Year 2006 _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 Sabine Bouguet-Bonnet . . . 6970 1 2 Matthias Buck . . . 6970 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6970 _Assembly.ID 1 _Assembly.Name 'Rac1.GMPPNP GTPase' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands 1 _Assembly.Metal_ions 1 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange yes _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 20294 _Assembly.Enzyme_commission_number . _Assembly.Details ; 1H, 15N, 13C assignments for the activated form of the small Rho-GTPase Rac1. Rac1 is loaded with GMPPNP amd Mg2+ ; _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 6970 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Rac1 1 $Rac1 . . yes native no yes . . 'swith regions I and II have residues in intermediate exchange' 6970 1 2 'MAGNESIUM (II) ION' 3 $MG . . yes native no no diamagnetic 'structural MAGNESIUM' . 6970 1 3 guanosine-5'[(b,g)-imido]triphosphate 2 $GTP . . no native no no . . . 6970 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Rac1 _Entity.Sf_category entity _Entity.Sf_framecode Rac1 _Entity.Entry_ID 6970 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Rac1 _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 ; MQAIKCVVVGDGAVGKTCLL ISYTTNAFPGEYIPTVFDNY SANVMVDGKPVNLGLWDTAG QEDYDRLRPLSYPQTDVFLI CFSLVSPASFENVRAKWYPE VRHHCPNTPIILVGTKLDLR DDKDTIEKLKEKKLTPITYP QGLAMAKEIGAVKYLECSAL TQRGLKTVFDEAIRAVLSPP PVK ; _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 183 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 5511 . Racdm . . . . . 100.00 188 100.00 100.00 1.66e-131 . . . . 6970 1 2 no PDB 1E96 . "Structure Of The RacP67PHOX COMPLEX" . . . . . 99.45 192 98.90 98.90 4.31e-128 . . . . 6970 1 3 no PDB 1FOE . "Crystal Structure Of Rac1 In Complex With The Guanine Nucleotide Exchange Region Of Tiam1" . . . . . 96.72 177 100.00 100.00 5.22e-127 . . . . 6970 1 4 no PDB 1G4U . "Crystal Structure Of The Salmonella Tyrosine Phosphatase And Gtpase Activating Protein Sptp Bound To Rac1" . . . . . 100.00 184 98.91 98.91 3.21e-129 . . . . 6970 1 5 no PDB 1HE1 . "Crystal Structure Of The Complex Between The Gap Domain Of The Pseudomonas Aeruginosa Exos Toxin And Human Rac" . . . . . 95.63 176 100.00 100.00 3.75e-125 . . . . 6970 1 6 no PDB 1HH4 . "Rac1-Rhogdi Complex Involved In Nadph Oxidase Activation" . . . . . 99.45 192 98.90 98.90 4.65e-128 . . . . 6970 1 7 no PDB 1I4D . "Crystal Structure Analysis Of Rac1-Gdp Complexed With Arfaptin (P21)" . . . . . 100.00 192 99.45 99.45 1.50e-130 . . . . 6970 1 8 no PDB 1I4L . "Crystal Structure Analysis Of Rac1-Gdp In Complex With Arfaptin (P41)" . . . . . 100.00 192 99.45 99.45 1.50e-130 . . . . 6970 1 9 no PDB 1I4T . "Crystal Structure Analysis Of Rac1-Gmppnp In Complex With Arfaptin" . . . . . 100.00 192 98.91 98.91 2.96e-129 . . . . 6970 1 10 no PDB 1MH1 . "Small G-Protein" . . . . . 99.45 186 98.90 98.90 4.07e-128 . . . . 6970 1 11 no PDB 2FJU . "Activated Rac1 Bound To Its Effector Phospholipase C Beta 2" . . . . . 97.27 178 100.00 100.00 9.93e-128 . . . . 6970 1 12 no PDB 2H7V . "Co-crystal Structure Of Ypka-rac1" . . . . . 100.00 188 98.91 98.91 1.98e-129 . . . . 6970 1 13 no PDB 2NZ8 . "N-Terminal Dhph Cassette Of Trio In Complex With Nucleotide- Free Rac1" . . . . . 96.72 177 100.00 100.00 5.22e-127 . . . . 6970 1 14 no PDB 2P2L . "Rac1-gdp-zinc Complex" . . . . . 100.00 188 98.91 98.91 1.98e-129 . . . . 6970 1 15 no PDB 2RMK . "Rac1PRK1 COMPLEX" . . . . . 100.00 192 98.91 98.91 2.96e-129 . . . . 6970 1 16 no PDB 2VRW . "Critical Structural Role For The Ph And C1 Domains Of The Vav1 Exchange Factor" . . . . . 100.00 184 99.45 99.45 1.87e-130 . . . . 6970 1 17 no PDB 2YIN . "Structure Of The Complex Between Dock2 And Rac1" . . . . . 96.72 196 100.00 100.00 2.12e-127 . . . . 6970 1 18 no PDB 3B13 . "Crystal Structure Of The Dhr-2 Domain Of Dock2 In Complex With Rac1 (T17n Mutant)" . . . . . 96.72 184 99.44 99.44 1.90e-126 . . . . 6970 1 19 no PDB 3BJI . "Structural Basis Of Promiscuous Guanine Nucleotide Exchange By The T-Cell Essential Vav1" . . . . . 96.72 177 100.00 100.00 5.22e-127 . . . . 6970 1 20 no PDB 3RYT . "The Plexin A1 Intracellular Region In Complex With Rac1" . . . . . 96.72 180 99.44 99.44 1.66e-125 . . . . 6970 1 21 no PDB 3SBD . "Crystal Structure Of Rac1 P29s Mutant" . . . . . 96.17 187 99.43 99.43 4.32e-125 . . . . 6970 1 22 no PDB 3SBE . "Crystal Structure Of Rac1 P29s Mutant" . . . . . 96.17 187 99.43 99.43 4.32e-125 . . . . 6970 1 23 no PDB 3SU8 . "Crystal Structure Of A Truncated Intracellular Domain Of Plexin-B1 In Complex With Rac1" . . . . . 96.72 184 100.00 100.00 3.46e-127 . . . . 6970 1 24 no PDB 3SUA . "Crystal Structure Of The Intracellular Domain Of Plexin-B1 In Complex With Rac1" . . . . . 96.72 184 100.00 100.00 3.46e-127 . . . . 6970 1 25 no PDB 3TH5 . "Crystal Structure Of Wild-Type Rac1" . . . . . 96.17 204 100.00 100.00 2.97e-126 . . . . 6970 1 26 no PDB 4GZL . "Crystal Structure Of Rac1 Q61l Mutant" . . . . . 96.17 204 99.43 99.43 5.09e-125 . . . . 6970 1 27 no PDB 4GZM . "Crystal Structure Of Rac1 F28l Mutant" . . . . . 96.17 204 99.43 99.43 2.27e-125 . . . . 6970 1 28 no DBJ BAB25667 . "unnamed protein product [Mus musculus]" . . . . . 100.00 192 98.91 99.45 6.91e-130 . . . . 6970 1 29 no DBJ BAB26027 . "unnamed protein product [Mus musculus]" . . . . . 100.00 192 99.45 99.45 1.50e-130 . . . . 6970 1 30 no DBJ BAB69451 . "unnamed protein product [Mus musculus]" . . . . . 100.00 192 99.45 99.45 1.50e-130 . . . . 6970 1 31 no DBJ BAC16311 . "Raichu-1011X [synthetic construct]" . . . . . 96.17 763 100.00 100.00 2.94e-120 . . . . 6970 1 32 no DBJ BAC28767 . "unnamed protein product [Mus musculus]" . . . . . 100.00 192 99.45 99.45 1.50e-130 . . . . 6970 1 33 no EMBL CAA39801 . "rac2 [Canis lupus familiaris]" . . . . . 100.00 192 99.45 99.45 1.50e-130 . . . . 6970 1 34 no EMBL CAA40545 . "ras-related C3 botulinium toxin substrate [Mus musculus]" . . . . . 100.00 192 99.45 99.45 1.50e-130 . . . . 6970 1 35 no EMBL CAB53579 . "Rac1 protein [Homo sapiens]" . . . . . 100.00 192 99.45 99.45 1.50e-130 . . . . 6970 1 36 no EMBL CAG04437 . "unnamed protein product, partial [Tetraodon nigroviridis]" . . . . . 100.00 192 97.81 97.81 4.17e-128 . . . . 6970 1 37 no EMBL CAJ83626 . "ras-related C3 botulinum toxin substrate 1 (rho family, small GTP binding protein Rac1) [Xenopus (Silurana) tropicalis]" . . . . . 100.00 192 99.45 99.45 1.50e-130 . . . . 6970 1 38 no GB AAA36537 . "ras-related C3 botulinum toxin substrate [Homo sapiens]" . . . . . 100.00 192 99.45 99.45 1.50e-130 . . . . 6970 1 39 no GB AAA36544 . "ras-like protein [Homo sapiens]" . . . . . 100.00 191 99.45 99.45 2.03e-130 . . . . 6970 1 40 no GB AAB22206 . "rac1 p21=small GTP-binding protein [human, HL60, Peptide, 192 aa]" . . . . . 100.00 192 99.45 99.45 1.50e-130 . . . . 6970 1 41 no GB AAC18960 . "GTPase cRac1A [Gallus gallus]" . . . . . 100.00 192 99.45 99.45 1.50e-130 . . . . 6970 1 42 no GB AAD50299 . "rac GTPase [Xenopus laevis]" . . . . . 100.00 192 99.45 99.45 1.60e-130 . . . . 6970 1 43 no REF NP_001003274 . "ras-related C3 botulinum toxin substrate 1 precursor [Canis lupus familiaris]" . . . . . 100.00 192 99.45 99.45 1.50e-130 . . . . 6970 1 44 no REF NP_001004840 . "ras-related C3 botulinum toxin substrate 1 (rho family, small GTP binding protein Rac1) [Xenopus (Silurana) tropicalis]" . . . . . 100.00 192 99.45 99.45 1.50e-130 . . . . 6970 1 45 no REF NP_001034907 . "uncharacterized protein LOC562838 [Danio rerio]" . . . . . 100.00 192 98.36 98.36 1.27e-128 . . . . 6970 1 46 no REF NP_001084224 . "ras-related C3 botulinum toxin substrate 3 (rho family, small GTP binding protein Rac3) [Xenopus laevis]" . . . . . 100.00 192 99.45 99.45 1.60e-130 . . . . 6970 1 47 no REF NP_001089332 . "ras-related C3 botulinum toxin substrate 1 (rho family, small GTP binding protein Rac1) [Xenopus laevis]" . . . . . 100.00 192 99.45 99.45 1.99e-130 . . . . 6970 1 48 no SP P62998 . "RecName: Full=Ras-related C3 botulinum toxin substrate 1; AltName: Full=p21-Rac1; Flags: Precursor [Bos taurus]" . . . . . 100.00 192 99.45 99.45 1.50e-130 . . . . 6970 1 49 no SP P62999 . "RecName: Full=Ras-related C3 botulinum toxin substrate 1; AltName: Full=Rac2; AltName: Full=p21-Rac1; Flags: Precursor [Canis l" . . . . . 100.00 192 99.45 99.45 1.50e-130 . . . . 6970 1 50 no SP P63000 . "RecName: Full=Ras-related C3 botulinum toxin substrate 1; AltName: Full=Cell migration-inducing gene 5 protein; AltName: Full=R" . . . . . 100.00 192 99.45 99.45 1.50e-130 . . . . 6970 1 51 no SP P63001 . "RecName: Full=Ras-related C3 botulinum toxin substrate 1; AltName: Full=p21-Rac1; Flags: Precursor [Mus musculus]" . . . . . 100.00 192 99.45 99.45 1.50e-130 . . . . 6970 1 52 no SP Q6RUV5 . "RecName: Full=Ras-related C3 botulinum toxin substrate 1; AltName: Full=p21-Rac1; Flags: Precursor [Rattus norvegicus]" . . . . . 100.00 192 99.45 99.45 1.50e-130 . . . . 6970 1 53 no TPG DAA15019 . "TPA: ras-related C3 botulinum toxin substrate 1 precursor [Bos taurus]" . . . . . 98.91 181 99.45 99.45 4.53e-129 . . . . 6970 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 . MET . 6970 1 2 . GLN . 6970 1 3 . ALA . 6970 1 4 . ILE . 6970 1 5 . LYS . 6970 1 6 . CYS . 6970 1 7 . VAL . 6970 1 8 . VAL . 6970 1 9 . VAL . 6970 1 10 . GLY . 6970 1 11 . ASP . 6970 1 12 . GLY . 6970 1 13 . ALA . 6970 1 14 . VAL . 6970 1 15 . GLY . 6970 1 16 . LYS . 6970 1 17 . THR . 6970 1 18 . CYS . 6970 1 19 . LEU . 6970 1 20 . LEU . 6970 1 21 . ILE . 6970 1 22 . SER . 6970 1 23 . TYR . 6970 1 24 . THR . 6970 1 25 . THR . 6970 1 26 . ASN . 6970 1 27 . ALA . 6970 1 28 . PHE . 6970 1 29 . PRO . 6970 1 30 . GLY . 6970 1 31 . GLU . 6970 1 32 . TYR . 6970 1 33 . ILE . 6970 1 34 . PRO . 6970 1 35 . THR . 6970 1 36 . VAL . 6970 1 37 . PHE . 6970 1 38 . ASP . 6970 1 39 . ASN . 6970 1 40 . TYR . 6970 1 41 . SER . 6970 1 42 . ALA . 6970 1 43 . ASN . 6970 1 44 . VAL . 6970 1 45 . MET . 6970 1 46 . VAL . 6970 1 47 . ASP . 6970 1 48 . GLY . 6970 1 49 . LYS . 6970 1 50 . PRO . 6970 1 51 . VAL . 6970 1 52 . ASN . 6970 1 53 . LEU . 6970 1 54 . GLY . 6970 1 55 . LEU . 6970 1 56 . TRP . 6970 1 57 . ASP . 6970 1 58 . THR . 6970 1 59 . ALA . 6970 1 60 . GLY . 6970 1 61 . GLN . 6970 1 62 . GLU . 6970 1 63 . ASP . 6970 1 64 . TYR . 6970 1 65 . ASP . 6970 1 66 . ARG . 6970 1 67 . LEU . 6970 1 68 . ARG . 6970 1 69 . PRO . 6970 1 70 . LEU . 6970 1 71 . SER . 6970 1 72 . TYR . 6970 1 73 . PRO . 6970 1 74 . GLN . 6970 1 75 . THR . 6970 1 76 . ASP . 6970 1 77 . VAL . 6970 1 78 . PHE . 6970 1 79 . LEU . 6970 1 80 . ILE . 6970 1 81 . CYS . 6970 1 82 . PHE . 6970 1 83 . SER . 6970 1 84 . LEU . 6970 1 85 . VAL . 6970 1 86 . SER . 6970 1 87 . PRO . 6970 1 88 . ALA . 6970 1 89 . SER . 6970 1 90 . PHE . 6970 1 91 . GLU . 6970 1 92 . ASN . 6970 1 93 . VAL . 6970 1 94 . ARG . 6970 1 95 . ALA . 6970 1 96 . LYS . 6970 1 97 . TRP . 6970 1 98 . TYR . 6970 1 99 . PRO . 6970 1 100 . GLU . 6970 1 101 . VAL . 6970 1 102 . ARG . 6970 1 103 . HIS . 6970 1 104 . HIS . 6970 1 105 . CYS . 6970 1 106 . PRO . 6970 1 107 . ASN . 6970 1 108 . THR . 6970 1 109 . PRO . 6970 1 110 . ILE . 6970 1 111 . ILE . 6970 1 112 . LEU . 6970 1 113 . VAL . 6970 1 114 . GLY . 6970 1 115 . THR . 6970 1 116 . LYS . 6970 1 117 . LEU . 6970 1 118 . ASP . 6970 1 119 . LEU . 6970 1 120 . ARG . 6970 1 121 . ASP . 6970 1 122 . ASP . 6970 1 123 . LYS . 6970 1 124 . ASP . 6970 1 125 . THR . 6970 1 126 . ILE . 6970 1 127 . GLU . 6970 1 128 . LYS . 6970 1 129 . LEU . 6970 1 130 . LYS . 6970 1 131 . GLU . 6970 1 132 . LYS . 6970 1 133 . LYS . 6970 1 134 . LEU . 6970 1 135 . THR . 6970 1 136 . PRO . 6970 1 137 . ILE . 6970 1 138 . THR . 6970 1 139 . TYR . 6970 1 140 . PRO . 6970 1 141 . GLN . 6970 1 142 . GLY . 6970 1 143 . LEU . 6970 1 144 . ALA . 6970 1 145 . MET . 6970 1 146 . ALA . 6970 1 147 . LYS . 6970 1 148 . GLU . 6970 1 149 . ILE . 6970 1 150 . GLY . 6970 1 151 . ALA . 6970 1 152 . VAL . 6970 1 153 . LYS . 6970 1 154 . TYR . 6970 1 155 . LEU . 6970 1 156 . GLU . 6970 1 157 . CYS . 6970 1 158 . SER . 6970 1 159 . ALA . 6970 1 160 . LEU . 6970 1 161 . THR . 6970 1 162 . GLN . 6970 1 163 . ARG . 6970 1 164 . GLY . 6970 1 165 . LEU . 6970 1 166 . LYS . 6970 1 167 . THR . 6970 1 168 . VAL . 6970 1 169 . PHE . 6970 1 170 . ASP . 6970 1 171 . GLU . 6970 1 172 . ALA . 6970 1 173 . ILE . 6970 1 174 . ARG . 6970 1 175 . ALA . 6970 1 176 . VAL . 6970 1 177 . LEU . 6970 1 178 . SER . 6970 1 179 . PRO . 6970 1 180 . PRO . 6970 1 181 . PRO . 6970 1 182 . VAL . 6970 1 183 . LYS . 6970 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 . MET 1 1 6970 1 . GLN 2 2 6970 1 . ALA 3 3 6970 1 . ILE 4 4 6970 1 . LYS 5 5 6970 1 . CYS 6 6 6970 1 . VAL 7 7 6970 1 . VAL 8 8 6970 1 . VAL 9 9 6970 1 . GLY 10 10 6970 1 . ASP 11 11 6970 1 . GLY 12 12 6970 1 . ALA 13 13 6970 1 . VAL 14 14 6970 1 . GLY 15 15 6970 1 . LYS 16 16 6970 1 . THR 17 17 6970 1 . CYS 18 18 6970 1 . LEU 19 19 6970 1 . LEU 20 20 6970 1 . ILE 21 21 6970 1 . SER 22 22 6970 1 . TYR 23 23 6970 1 . THR 24 24 6970 1 . THR 25 25 6970 1 . ASN 26 26 6970 1 . ALA 27 27 6970 1 . PHE 28 28 6970 1 . PRO 29 29 6970 1 . GLY 30 30 6970 1 . GLU 31 31 6970 1 . TYR 32 32 6970 1 . ILE 33 33 6970 1 . PRO 34 34 6970 1 . THR 35 35 6970 1 . VAL 36 36 6970 1 . PHE 37 37 6970 1 . ASP 38 38 6970 1 . ASN 39 39 6970 1 . TYR 40 40 6970 1 . SER 41 41 6970 1 . ALA 42 42 6970 1 . ASN 43 43 6970 1 . VAL 44 44 6970 1 . MET 45 45 6970 1 . VAL 46 46 6970 1 . ASP 47 47 6970 1 . GLY 48 48 6970 1 . LYS 49 49 6970 1 . PRO 50 50 6970 1 . VAL 51 51 6970 1 . ASN 52 52 6970 1 . LEU 53 53 6970 1 . GLY 54 54 6970 1 . LEU 55 55 6970 1 . TRP 56 56 6970 1 . ASP 57 57 6970 1 . THR 58 58 6970 1 . ALA 59 59 6970 1 . GLY 60 60 6970 1 . GLN 61 61 6970 1 . GLU 62 62 6970 1 . ASP 63 63 6970 1 . TYR 64 64 6970 1 . ASP 65 65 6970 1 . ARG 66 66 6970 1 . LEU 67 67 6970 1 . ARG 68 68 6970 1 . PRO 69 69 6970 1 . LEU 70 70 6970 1 . SER 71 71 6970 1 . TYR 72 72 6970 1 . PRO 73 73 6970 1 . GLN 74 74 6970 1 . THR 75 75 6970 1 . ASP 76 76 6970 1 . VAL 77 77 6970 1 . PHE 78 78 6970 1 . LEU 79 79 6970 1 . ILE 80 80 6970 1 . CYS 81 81 6970 1 . PHE 82 82 6970 1 . SER 83 83 6970 1 . LEU 84 84 6970 1 . VAL 85 85 6970 1 . SER 86 86 6970 1 . PRO 87 87 6970 1 . ALA 88 88 6970 1 . SER 89 89 6970 1 . PHE 90 90 6970 1 . GLU 91 91 6970 1 . ASN 92 92 6970 1 . VAL 93 93 6970 1 . ARG 94 94 6970 1 . ALA 95 95 6970 1 . LYS 96 96 6970 1 . TRP 97 97 6970 1 . TYR 98 98 6970 1 . PRO 99 99 6970 1 . GLU 100 100 6970 1 . VAL 101 101 6970 1 . ARG 102 102 6970 1 . HIS 103 103 6970 1 . HIS 104 104 6970 1 . CYS 105 105 6970 1 . PRO 106 106 6970 1 . ASN 107 107 6970 1 . THR 108 108 6970 1 . PRO 109 109 6970 1 . ILE 110 110 6970 1 . ILE 111 111 6970 1 . LEU 112 112 6970 1 . VAL 113 113 6970 1 . GLY 114 114 6970 1 . THR 115 115 6970 1 . LYS 116 116 6970 1 . LEU 117 117 6970 1 . ASP 118 118 6970 1 . LEU 119 119 6970 1 . ARG 120 120 6970 1 . ASP 121 121 6970 1 . ASP 122 122 6970 1 . LYS 123 123 6970 1 . ASP 124 124 6970 1 . THR 125 125 6970 1 . ILE 126 126 6970 1 . GLU 127 127 6970 1 . LYS 128 128 6970 1 . LEU 129 129 6970 1 . LYS 130 130 6970 1 . GLU 131 131 6970 1 . LYS 132 132 6970 1 . LYS 133 133 6970 1 . LEU 134 134 6970 1 . THR 135 135 6970 1 . PRO 136 136 6970 1 . ILE 137 137 6970 1 . THR 138 138 6970 1 . TYR 139 139 6970 1 . PRO 140 140 6970 1 . GLN 141 141 6970 1 . GLY 142 142 6970 1 . LEU 143 143 6970 1 . ALA 144 144 6970 1 . MET 145 145 6970 1 . ALA 146 146 6970 1 . LYS 147 147 6970 1 . GLU 148 148 6970 1 . ILE 149 149 6970 1 . GLY 150 150 6970 1 . ALA 151 151 6970 1 . VAL 152 152 6970 1 . LYS 153 153 6970 1 . TYR 154 154 6970 1 . LEU 155 155 6970 1 . GLU 156 156 6970 1 . CYS 157 157 6970 1 . SER 158 158 6970 1 . ALA 159 159 6970 1 . LEU 160 160 6970 1 . THR 161 161 6970 1 . GLN 162 162 6970 1 . ARG 163 163 6970 1 . GLY 164 164 6970 1 . LEU 165 165 6970 1 . LYS 166 166 6970 1 . THR 167 167 6970 1 . VAL 168 168 6970 1 . PHE 169 169 6970 1 . ASP 170 170 6970 1 . GLU 171 171 6970 1 . ALA 172 172 6970 1 . ILE 173 173 6970 1 . ARG 174 174 6970 1 . ALA 175 175 6970 1 . VAL 176 176 6970 1 . LEU 177 177 6970 1 . SER 178 178 6970 1 . PRO 179 179 6970 1 . PRO 180 180 6970 1 . PRO 181 181 6970 1 . VAL 182 182 6970 1 . LYS 183 183 6970 1 stop_ save_ save_GTP _Entity.Sf_category entity _Entity.Sf_framecode GTP _Entity.Entry_ID 6970 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name GTP _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID GTP _Entity.Nonpolymer_comp_label $chem_comp_GTP _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 . GTP . 6970 2 stop_ save_ save_MG _Entity.Sf_category entity _Entity.Sf_framecode MG _Entity.Entry_ID 6970 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name MG _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID MG _Entity.Nonpolymer_comp_label $chem_comp_MG _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MG . 6970 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 6970 _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 $Rac1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6970 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 6970 _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 $Rac1 . 'recombinant technology' . E.Coli 'BL21 cells' . . . . . . . . . . . . . . . . . . . . . . . . . . 6970 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_GTP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_GTP _Chem_comp.Entry_ID 6970 _Chem_comp.ID GTP _Chem_comp.Provenance . _Chem_comp.Name GUANOSINE-5'-TRIPHOSPHATE _Chem_comp.Type 'RNA LINKING' _Chem_comp.BMRB_code . _Chem_comp.PDB_code GTP _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code G _Chem_comp.Three_letter_code GTP _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 G _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 yes _Chem_comp.Formula 'C10 H16 N5 O14 P3' _Chem_comp.Formula_weight 523.180 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1QRA _Chem_comp.Processing_site PDBe _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 Thu Sep 15 00:08:47 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N SMILES 'OpenEye OEToolkits' 1.5.0 6970 GTP c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 6970 GTP InChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1 InChI InChI 1.03 6970 GTP NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O SMILES_CANONICAL CACTVS 3.341 6970 GTP NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O SMILES CACTVS 3.341 6970 GTP O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O SMILES ACDLabs 10.04 6970 GTP XKMLYUALXHKNFT-UUOKFMHZSA-N InChIKey InChI 1.03 6970 GTP 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] phosphono hydrogen phosphate' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 6970 GTP 'guanosine 5'-(tetrahydrogen triphosphate)' 'SYSTEMATIC NAME' ACDLabs 10.04 6970 GTP 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 PG . PG . . P . . N 0 . . . . no no . . . . 4.566 . 31.391 . 21.635 . -1.218 -0.294 7.107 1 . 6970 GTP O1G . O1G . . O . . N 0 . . . . no no . . . . 4.613 . 31.907 . 23.069 . -1.748 1.079 6.958 2 . 6970 GTP O2G . O2G . . O . . N 0 . . . . no no . . . . 3.892 . 32.319 . 20.631 . -2.146 -1.120 8.130 3 . 6970 GTP O3G . O3G . . O . . N 0 . . . . no no . . . . 4.143 . 30.012 . 21.613 . 0.285 -0.229 7.679 4 . 6970 GTP O3B . O3B . . O . . N 0 . . . . no no . . . . 6.160 . 31.360 . 21.228 . -1.215 -1.026 5.673 5 . 6970 GTP PB . PB . . P . . R 0 . . . . no no . . . . 6.877 . 31.202 . 19.745 . -0.273 -0.151 4.705 6 . 6970 GTP O1B . O1B . . O . . N 0 . . . . no no . . . . 7.079 . 29.709 . 19.473 . -0.818 1.219 4.593 7 . 6970 GTP O2B . O2B . . O . . N 0 . . . . no no . . . . 6.125 . 31.970 . 18.749 . 1.214 -0.089 5.317 8 . 6970 GTP O3A . O3A . . O . . N 0 . . . . no no . . . . 8.251 . 31.890 . 20.003 . -0.225 -0.830 3.246 9 . 6970 GTP PA . PA . . P . . S 0 . . . . no no . . . . 8.846 . 33.261 . 19.411 . 0.730 0.091 2.335 10 . 6970 GTP O1A . O1A . . O . . N 0 . . . . no no . . . . 8.888 . 33.256 . 17.957 . 0.169 1.458 2.260 11 . 6970 GTP O2A . O2A . . O . . N 0 . . . . no no . . . . 8.105 . 34.398 . 20.129 . 2.201 0.149 2.987 12 . 6970 GTP O5' . O5' . . O . . N 0 . . . . no no . . . . 10.430 . 33.153 . 19.900 . 0.823 -0.532 0.854 13 . 6970 GTP C5' . C5' . . C . . N 0 . . . . no no . . . . 10.549 . 33.044 . 21.378 . 1.680 0.325 0.098 14 . 6970 GTP C4' . C4' . . C . . R 0 . . . . no no . . . . 12.046 . 33.618 . 21.474 . 1.812 -0.213 -1.327 15 . 6970 GTP O4' . O4' . . O . . N 0 . . . . no no . . . . 13.052 . 32.830 . 20.818 . 0.523 -0.236 -1.978 16 . 6970 GTP C3' . C3' . . C . . S 0 . . . . no no . . . . 12.307 . 34.969 . 21.057 . 2.672 0.739 -2.187 17 . 6970 GTP O3' . O3' . . O . . N 0 . . . . no no . . . . 13.109 . 35.672 . 21.971 . 4.017 0.266 -2.267 18 . 6970 GTP C2' . C2' . . C . . R 0 . . . . no no . . . . 12.839 . 34.971 . 19.593 . 1.999 0.699 -3.580 19 . 6970 GTP O2' . O2' . . O . . N 0 . . . . no no . . . . 13.672 . 35.961 . 19.355 . 2.910 0.202 -4.562 20 . 6970 GTP C1' . C1' . . C . . R 0 . . . . no no . . . . 13.846 . 33.622 . 19.927 . 0.811 -0.270 -3.393 21 . 6970 GTP N9 . N9 . . N . . N 0 . . . . yes no . . . . 14.001 . 32.833 . 18.649 . -0.347 0.188 -4.161 22 . 6970 GTP C8 . C8 . . C . . N 0 . . . . yes no . . . . 12.934 . 32.452 . 17.848 . -1.313 1.050 -3.727 23 . 6970 GTP N7 . N7 . . N . . N 0 . . . . yes no . . . . 13.640 . 31.798 . 16.899 . -2.192 1.237 -4.668 24 . 6970 GTP C5 . C5 . . C . . N 0 . . . . yes no . . . . 15.029 . 31.889 . 17.001 . -1.845 0.509 -5.758 25 . 6970 GTP C6 . C6 . . C . . N 0 . . . . no no . . . . 15.899 . 31.394 . 16.238 . -2.410 0.327 -7.041 26 . 6970 GTP O6 . O6 . . O . . N 0 . . . . no no . . . . 15.982 . 30.680 . 15.191 . -3.440 0.898 -7.357 27 . 6970 GTP N1 . N1 . . N . . N 0 . . . . no no . . . . 17.274 . 31.628 . 16.800 . -1.777 -0.491 -7.911 28 . 6970 GTP C2 . C2 . . C . . N 0 . . . . no no . . . . 17.304 . 32.295 . 17.896 . -0.630 -1.129 -7.545 29 . 6970 GTP N2 . N2 . . N . . N 0 . . . . no no . . . . 18.677 . 32.450 . 18.475 . -0.012 -1.959 -8.446 30 . 6970 GTP N3 . N3 . . N . . N 0 . . . . no no . . . . 16.384 . 32.736 . 18.739 . -0.094 -0.967 -6.355 31 . 6970 GTP C4 . C4 . . C . . N 0 . . . . yes no . . . . 15.218 . 32.517 . 18.135 . -0.661 -0.168 -5.444 32 . 6970 GTP HOG2 . HOG2 . . H . . N 0 . . . . no no . . . . 3.862 . 31.997 . 19.737 . -2.120 -0.648 8.974 33 . 6970 GTP HOG3 . HOG3 . . H . . N 0 . . . . no no . . . . 4.113 . 29.690 . 20.719 . 0.592 -1.143 7.761 34 . 6970 GTP HOB2 . HOB2 . . H . . N 0 . . . . no no . . . . 6.536 . 31.879 . 17.897 . 1.532 -1.001 5.373 35 . 6970 GTP HOA2 . HOA2 . . H . . N 0 . . . . no no . . . . 8.456 . 35.208 . 19.779 . 2.529 -0.760 3.018 36 . 6970 GTP H5' . H5' . . H . . N 0 . . . . no no . . . . 9.766 . 33.545 . 21.994 . 2.664 0.361 0.565 37 . 6970 GTP H5'' . H5'' . . H . . N 0 . . . . no no . . . . 10.351 . 32.046 . 21.836 . 1.255 1.329 0.069 38 . 6970 GTP H4' . H4' . . H . . N 0 . . . . no no . . . . 12.115 . 33.571 . 22.585 . 2.249 -1.211 -1.316 39 . 6970 GTP H3' . H3' . . H . . N 0 . . . . no no . . . . 11.350 . 35.541 . 21.055 . 2.647 1.749 -1.779 40 . 6970 GTP HO3' . HO3' . . H . . N 0 . . . . no yes . . . . 13.281 . 36.564 . 21.695 . 4.504 0.898 -2.814 41 . 6970 GTP H2' . H2' . . H . . N 0 . . . . no no . . . . 12.083 . 35.000 . 18.773 . 1.640 1.690 -3.860 42 . 6970 GTP HO2' . HO2' . . H . . N 0 . . . . no no . . . . 13.996 . 35.962 . 18.462 . 3.656 0.817 -4.588 43 . 6970 GTP H1' . H1' . . H . . N 0 . . . . no no . . . . 14.847 . 33.901 . 20.330 . 1.093 -1.278 -3.698 44 . 6970 GTP H8 . H8 . . H . . N 0 . . . . no no . . . . 11.847 . 32.619 . 17.938 . -1.343 1.508 -2.749 45 . 6970 GTP HN1 . HN1 . . H . . N 0 . . . . no no . . . . 18.182 . 31.335 . 16.439 . -2.146 -0.632 -8.797 46 . 6970 GTP HN21 . HN21 . . H . . N 0 . . . . no no . . . . 18.700 . 32.980 . 19.346 . 0.807 -2.416 -8.202 47 . 6970 GTP HN22 . HN22 . . H . . N 0 . . . . no no . . . . 19.311 . 32.858 . 17.788 . -0.397 -2.091 -9.327 48 . 6970 GTP 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 no N 1 . 6970 GTP 2 . SING PG O2G no N 2 . 6970 GTP 3 . SING PG O3G no N 3 . 6970 GTP 4 . SING PG O3B no N 4 . 6970 GTP 5 . SING O2G HOG2 no N 5 . 6970 GTP 6 . SING O3G HOG3 no N 6 . 6970 GTP 7 . SING O3B PB no N 7 . 6970 GTP 8 . DOUB PB O1B no N 8 . 6970 GTP 9 . SING PB O2B no N 9 . 6970 GTP 10 . SING PB O3A no N 10 . 6970 GTP 11 . SING O2B HOB2 no N 11 . 6970 GTP 12 . SING O3A PA no N 12 . 6970 GTP 13 . DOUB PA O1A no N 13 . 6970 GTP 14 . SING PA O2A no N 14 . 6970 GTP 15 . SING PA O5' no N 15 . 6970 GTP 16 . SING O2A HOA2 no N 16 . 6970 GTP 17 . SING O5' C5' no N 17 . 6970 GTP 18 . SING C5' C4' no N 18 . 6970 GTP 19 . SING C5' H5' no N 19 . 6970 GTP 20 . SING C5' H5'' no N 20 . 6970 GTP 21 . SING C4' O4' no N 21 . 6970 GTP 22 . SING C4' C3' no N 22 . 6970 GTP 23 . SING C4' H4' no N 23 . 6970 GTP 24 . SING O4' C1' no N 24 . 6970 GTP 25 . SING C3' O3' no N 25 . 6970 GTP 26 . SING C3' C2' no N 26 . 6970 GTP 27 . SING C3' H3' no N 27 . 6970 GTP 28 . SING O3' HO3' no N 28 . 6970 GTP 29 . SING C2' O2' no N 29 . 6970 GTP 30 . SING C2' C1' no N 30 . 6970 GTP 31 . SING C2' H2' no N 31 . 6970 GTP 32 . SING O2' HO2' no N 32 . 6970 GTP 33 . SING C1' N9 no N 33 . 6970 GTP 34 . SING C1' H1' no N 34 . 6970 GTP 35 . SING N9 C8 yes N 35 . 6970 GTP 36 . SING N9 C4 yes N 36 . 6970 GTP 37 . DOUB C8 N7 yes N 37 . 6970 GTP 38 . SING C8 H8 no N 38 . 6970 GTP 39 . SING N7 C5 yes N 39 . 6970 GTP 40 . SING C5 C6 no N 40 . 6970 GTP 41 . DOUB C5 C4 yes N 41 . 6970 GTP 42 . DOUB C6 O6 no N 42 . 6970 GTP 43 . SING C6 N1 no N 43 . 6970 GTP 44 . SING N1 C2 no N 44 . 6970 GTP 45 . SING N1 HN1 no N 45 . 6970 GTP 46 . SING C2 N2 no N 46 . 6970 GTP 47 . DOUB C2 N3 no N 47 . 6970 GTP 48 . SING N2 HN21 no N 48 . 6970 GTP 49 . SING N2 HN22 no N 49 . 6970 GTP 50 . SING N3 C4 no N 50 . 6970 GTP stop_ save_ save_chem_comp_MG _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_MG _Chem_comp.Entry_ID 6970 _Chem_comp.ID MG _Chem_comp.Provenance . _Chem_comp.Name 'MAGNESIUM ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code MG _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code MG _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Mg _Chem_comp.Formula_weight 24.305 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site PDBJ _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Sep 15 00:10:18 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Mg/q+2 InChI InChI 1.03 6970 MG JLVVSXFLKOJNIY-UHFFFAOYSA-N InChIKey InChI 1.03 6970 MG [Mg++] SMILES CACTVS 3.341 6970 MG [Mg++] SMILES_CANONICAL CACTVS 3.341 6970 MG [Mg+2] SMILES ACDLabs 10.04 6970 MG [Mg+2] SMILES 'OpenEye OEToolkits' 1.5.0 6970 MG [Mg+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 6970 MG stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID magnesium 'SYSTEMATIC NAME' ACDLabs 10.04 6970 MG 'magnesium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 6970 MG stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID MG . MG . . MG . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 6970 MG stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6970 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; The sample is uniformly labeled with 15N and 13C ; _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Rac1 '[U-15N; U-13C]' . . 1 $Rac1 . . 0.6 . . mM 0.05 . . . 6970 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6970 _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 6.8 0.2 pH 6970 1 temperature 298 0.1 K 6970 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 6970 _Software.ID 1 _Software.Name NMRView _Software.Version 5.2.2 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Spectral analysis' 6970 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 6970 _Software.ID 2 _Software.Name NMRPipe _Software.Version 2.3 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Data processing' 6970 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 6970 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6970 _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 1H15N_HSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6970 1 2 HNCA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6970 1 3 HN(CO)CA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6970 1 4 HNCO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6970 1 5 HNCACB no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6970 1 6 CBCA(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6970 1 7 CC(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6970 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6970 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $citation1 . . 1 $citation1 6970 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $citation1 . . 1 $citation1 6970 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $citation1 . . 1 $citation1 6970 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6970 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 1H15N_HSQC 1 $sample_1 isotropic 6970 1 2 HNCA 1 $sample_1 isotropic 6970 1 3 HN(CO)CA 1 $sample_1 isotropic 6970 1 4 HNCO 1 $sample_1 isotropic 6970 1 5 HNCACB 1 $sample_1 isotropic 6970 1 6 CBCA(CO)NH 1 $sample_1 isotropic 6970 1 7 CC(CO)NH 1 $sample_1 isotropic 6970 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 6970 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 1 1 MET C C 13 175.40 0.10 . 1 . . . . 1 MET C . 6970 1 2 . 1 1 1 1 MET CA C 13 56.50 0.20 . 1 . . . . 1 MET CA . 6970 1 3 . 1 1 1 1 MET CB C 13 33.30 0.20 . 1 . . . . 1 MET CB . 6970 1 4 . 1 1 2 2 GLN H H 1 8.39 0.02 . 1 . . . . 2 GLN H . 6970 1 5 . 1 1 2 2 GLN C C 13 174.40 0.10 . 1 . . . . 2 GLN C . 6970 1 6 . 1 1 2 2 GLN CA C 13 56.20 0.20 . 1 . . . . 2 GLN CA . 6970 1 7 . 1 1 2 2 GLN CB C 13 29.90 0.20 . 1 . . . . 2 GLN CB . 6970 1 8 . 1 1 2 2 GLN CG C 13 34.30 0.28 . 1 . . . . 2 GLN CG . 6970 1 9 . 1 1 2 2 GLN N N 15 122.01 0.04 . 1 . . . . 2 GLN N . 6970 1 10 . 1 1 3 3 ALA H H 1 8.05 0.02 . 1 . . . . 3 ALA H . 6970 1 11 . 1 1 3 3 ALA CA C 13 51.20 0.20 . 1 . . . . 3 ALA CA . 6970 1 12 . 1 1 3 3 ALA CB C 13 20.50 0.20 . 1 . . . . 3 ALA CB . 6970 1 13 . 1 1 3 3 ALA N N 15 125.44 0.04 . 1 . . . . 3 ALA N . 6970 1 14 . 1 1 4 4 ILE C C 13 173.90 0.10 . 1 . . . . 4 ILE C . 6970 1 15 . 1 1 4 4 ILE CA C 13 59.70 0.20 . 1 . . . . 4 ILE CA . 6970 1 16 . 1 1 4 4 ILE CB C 13 33.00 0.20 . 1 . . . . 4 ILE CB . 6970 1 17 . 1 1 4 4 ILE CG1 C 13 26.20 0.28 . 1 . . . . 4 ILE CG1 . 6970 1 18 . 1 1 4 4 ILE CG2 C 13 17.80 0.28 . 1 . . . . 4 ILE CG2 . 6970 1 19 . 1 1 4 4 ILE CD1 C 13 15.30 0.28 . 1 . . . . 4 ILE CD1 . 6970 1 20 . 1 1 5 5 LYS H H 1 10.44 0.02 . 1 . . . . 5 LYS H . 6970 1 21 . 1 1 5 5 LYS C C 13 174.30 0.10 . 1 . . . . 5 LYS C . 6970 1 22 . 1 1 5 5 LYS CA C 13 55.80 0.20 . 1 . . . . 5 LYS CA . 6970 1 23 . 1 1 5 5 LYS CB C 13 28.80 0.20 . 1 . . . . 5 LYS CB . 6970 1 24 . 1 1 5 5 LYS CG C 13 26.20 0.28 . 1 . . . . 5 LYS CG . 6970 1 25 . 1 1 5 5 LYS CD C 13 29.40 0.28 . 1 . . . . 5 LYS CD . 6970 1 26 . 1 1 5 5 LYS N N 15 131.64 0.04 . 1 . . . . 5 LYS N . 6970 1 27 . 1 1 6 6 CYS H H 1 9.29 0.02 . 1 . . . . 6 CYS H . 6970 1 28 . 1 1 6 6 CYS C C 13 172.40 0.10 . 1 . . . . 6 CYS C . 6970 1 29 . 1 1 6 6 CYS CA C 13 55.80 0.20 . 1 . . . . 6 CYS CA . 6970 1 30 . 1 1 6 6 CYS CB C 13 33.60 0.20 . 1 . . . . 6 CYS CB . 6970 1 31 . 1 1 6 6 CYS N N 15 131.46 0.04 . 1 . . . . 6 CYS N . 6970 1 32 . 1 1 7 7 VAL H H 1 7.49 0.02 . 1 . . . . 7 VAL H . 6970 1 33 . 1 1 7 7 VAL C C 13 173.80 0.10 . 1 . . . . 7 VAL C . 6970 1 34 . 1 1 7 7 VAL CA C 13 60.90 0.20 . 1 . . . . 7 VAL CA . 6970 1 35 . 1 1 7 7 VAL CB C 13 33.30 0.20 . 1 . . . . 7 VAL CB . 6970 1 36 . 1 1 7 7 VAL CG1 C 13 21.60 0.28 . 2 . . . . 7 VAL CG1 . 6970 1 37 . 1 1 7 7 VAL CG2 C 13 21.60 0.28 . 2 . . . . 7 VAL CG2 . 6970 1 38 . 1 1 7 7 VAL N N 15 129.23 0.04 . 1 . . . . 7 VAL N . 6970 1 39 . 1 1 8 8 VAL H H 1 8.20 0.02 . 1 . . . . 8 VAL H . 6970 1 40 . 1 1 8 8 VAL C C 13 174.40 0.10 . 1 . . . . 8 VAL C . 6970 1 41 . 1 1 8 8 VAL CA C 13 60.90 0.20 . 1 . . . . 8 VAL CA . 6970 1 42 . 1 1 8 8 VAL CB C 13 35.30 0.20 . 1 . . . . 8 VAL CB . 6970 1 43 . 1 1 8 8 VAL CG1 C 13 22.40 0.28 . 2 . . . . 8 VAL CG1 . 6970 1 44 . 1 1 8 8 VAL CG2 C 13 22.40 0.28 . 2 . . . . 8 VAL CG2 . 6970 1 45 . 1 1 8 8 VAL N N 15 126.37 0.04 . 1 . . . . 8 VAL N . 6970 1 46 . 1 1 9 9 VAL H H 1 8.69 0.02 . 1 . . . . 9 VAL H . 6970 1 47 . 1 1 9 9 VAL C C 13 173.70 0.10 . 1 . . . . 9 VAL C . 6970 1 48 . 1 1 9 9 VAL CA C 13 58.40 0.20 . 1 . . . . 9 VAL CA . 6970 1 49 . 1 1 9 9 VAL N N 15 116.98 0.04 . 1 . . . . 9 VAL N . 6970 1 50 . 1 1 10 10 GLY H H 1 6.63 0.02 . 1 . . . . 10 GLY H . 6970 1 51 . 1 1 10 10 GLY C C 13 172.40 0.10 . 1 . . . . 10 GLY C . 6970 1 52 . 1 1 10 10 GLY CA C 13 43.30 0.20 . 1 . . . . 10 GLY CA . 6970 1 53 . 1 1 10 10 GLY N N 15 107.50 0.04 . 1 . . . . 10 GLY N . 6970 1 54 . 1 1 11 11 ASP H H 1 8.30 0.02 . 1 . . . . 11 ASP H . 6970 1 55 . 1 1 11 11 ASP C C 13 177.10 0.10 . 1 . . . . 11 ASP C . 6970 1 56 . 1 1 11 11 ASP CA C 13 55.90 0.20 . 1 . . . . 11 ASP CA . 6970 1 57 . 1 1 11 11 ASP CB C 13 41.20 0.20 . 1 . . . . 11 ASP CB . 6970 1 58 . 1 1 11 11 ASP N N 15 118.53 0.04 . 1 . . . . 11 ASP N . 6970 1 59 . 1 1 12 12 GLY H H 1 8.59 0.02 . 1 . . . . 12 GLY H . 6970 1 60 . 1 1 12 12 GLY C C 13 175.00 0.10 . 1 . . . . 12 GLY C . 6970 1 61 . 1 1 12 12 GLY CA C 13 46.80 0.20 . 1 . . . . 12 GLY CA . 6970 1 62 . 1 1 12 12 GLY N N 15 105.64 0.04 . 1 . . . . 12 GLY N . 6970 1 63 . 1 1 13 13 ALA H H 1 9.35 0.02 . 1 . . . . 13 ALA H . 6970 1 64 . 1 1 13 13 ALA CA C 13 53.40 0.20 . 1 . . . . 13 ALA CA . 6970 1 65 . 1 1 13 13 ALA N N 15 123.11 0.04 . 1 . . . . 13 ALA N . 6970 1 66 . 1 1 14 14 VAL C C 13 174.30 0.10 . 1 . . . . 14 VAL C . 6970 1 67 . 1 1 14 14 VAL CG1 C 13 19.00 0.28 . 2 . . . . 14 VAL CG1 . 6970 1 68 . 1 1 14 14 VAL CG2 C 13 19.00 0.28 . 2 . . . . 14 VAL CG2 . 6970 1 69 . 1 1 15 15 GLY H H 1 8.41 0.02 . 1 . . . . 15 GLY H . 6970 1 70 . 1 1 15 15 GLY CA C 13 44.70 0.20 . 1 . . . . 15 GLY CA . 6970 1 71 . 1 1 15 15 GLY N N 15 108.15 0.04 . 1 . . . . 15 GLY N . 6970 1 72 . 1 1 16 16 LYS H H 1 9.34 0.02 . 1 . . . . 16 LYS H . 6970 1 73 . 1 1 16 16 LYS CA C 13 60.70 0.20 . 1 . . . . 16 LYS CA . 6970 1 74 . 1 1 16 16 LYS N N 15 125.76 0.04 . 1 . . . . 16 LYS N . 6970 1 75 . 1 1 17 17 THR H H 1 9.15 0.02 . 1 . . . . 17 THR H . 6970 1 76 . 1 1 17 17 THR CA C 13 66.90 0.20 . 1 . . . . 17 THR CA . 6970 1 77 . 1 1 17 17 THR CB C 13 67.70 0.20 . 1 . . . . 17 THR CB . 6970 1 78 . 1 1 17 17 THR N N 15 119.06 0.04 . 1 . . . . 17 THR N . 6970 1 79 . 1 1 19 19 LEU C C 13 176.80 0.10 . 1 . . . . 19 LEU C . 6970 1 80 . 1 1 19 19 LEU CB C 13 45.40 0.20 . 1 . . . . 19 LEU CB . 6970 1 81 . 1 1 19 19 LEU CG C 13 29.70 0.28 . 1 . . . . 19 LEU CG . 6970 1 82 . 1 1 19 19 LEU CD1 C 13 27.10 0.28 . 2 . . . . 19 LEU CD1 . 6970 1 83 . 1 1 19 19 LEU CD2 C 13 27.10 0.28 . 2 . . . . 19 LEU CD2 . 6970 1 84 . 1 1 20 20 LEU H H 1 8.01 0.02 . 1 . . . . 20 LEU H . 6970 1 85 . 1 1 20 20 LEU CA C 13 59.40 0.20 . 1 . . . . 20 LEU CA . 6970 1 86 . 1 1 20 20 LEU CB C 13 42.30 0.20 . 1 . . . . 20 LEU CB . 6970 1 87 . 1 1 20 20 LEU N N 15 121.82 0.04 . 1 . . . . 20 LEU N . 6970 1 88 . 1 1 21 21 ILE C C 13 179.50 0.10 . 1 . . . . 21 ILE C . 6970 1 89 . 1 1 21 21 ILE CA C 13 65.30 0.20 . 1 . . . . 21 ILE CA . 6970 1 90 . 1 1 22 22 SER H H 1 8.81 0.02 . 1 . . . . 22 SER H . 6970 1 91 . 1 1 22 22 SER C C 13 177.20 0.10 . 1 . . . . 22 SER C . 6970 1 92 . 1 1 22 22 SER CA C 13 61.40 0.20 . 1 . . . . 22 SER CA . 6970 1 93 . 1 1 22 22 SER CB C 13 64.00 0.20 . 1 . . . . 22 SER CB . 6970 1 94 . 1 1 22 22 SER N N 15 110.24 0.04 . 1 . . . . 22 SER N . 6970 1 95 . 1 1 23 23 TYR H H 1 7.83 0.02 . 1 . . . . 23 TYR H . 6970 1 96 . 1 1 23 23 TYR C C 13 177.10 0.10 . 1 . . . . 23 TYR C . 6970 1 97 . 1 1 23 23 TYR CA C 13 60.70 0.20 . 1 . . . . 23 TYR CA . 6970 1 98 . 1 1 23 23 TYR CB C 13 42.40 0.20 . 1 . . . . 23 TYR CB . 6970 1 99 . 1 1 23 23 TYR N N 15 117.31 0.04 . 1 . . . . 23 TYR N . 6970 1 100 . 1 1 24 24 THR H H 1 7.63 0.02 . 1 . . . . 24 THR H . 6970 1 101 . 1 1 24 24 THR C C 13 176.70 0.10 . 1 . . . . 24 THR C . 6970 1 102 . 1 1 24 24 THR CA C 13 64.30 0.20 . 1 . . . . 24 THR CA . 6970 1 103 . 1 1 24 24 THR CB C 13 70.30 0.20 . 1 . . . . 24 THR CB . 6970 1 104 . 1 1 24 24 THR CG2 C 13 23.30 0.28 . 1 . . . . 24 THR CG2 . 6970 1 105 . 1 1 24 24 THR N N 15 105.51 0.04 . 1 . . . . 24 THR N . 6970 1 106 . 1 1 25 25 THR H H 1 8.07 0.02 . 1 . . . . 25 THR H . 6970 1 107 . 1 1 25 25 THR C C 13 175.20 0.10 . 1 . . . . 25 THR C . 6970 1 108 . 1 1 25 25 THR CA C 13 62.00 0.20 . 1 . . . . 25 THR CA . 6970 1 109 . 1 1 25 25 THR CB C 13 71.80 0.20 . 1 . . . . 25 THR CB . 6970 1 110 . 1 1 25 25 THR CG2 C 13 20.30 0.28 . 1 . . . . 25 THR CG2 . 6970 1 111 . 1 1 25 25 THR N N 15 110.10 0.04 . 1 . . . . 25 THR N . 6970 1 112 . 1 1 26 26 ASN H H 1 7.55 0.02 . 1 . . . . 26 ASN H . 6970 1 113 . 1 1 26 26 ASN C C 13 173.00 0.10 . 1 . . . . 26 ASN C . 6970 1 114 . 1 1 26 26 ASN CA C 13 55.10 0.20 . 1 . . . . 26 ASN CA . 6970 1 115 . 1 1 26 26 ASN CB C 13 38.00 0.20 . 1 . . . . 26 ASN CB . 6970 1 116 . 1 1 26 26 ASN N N 15 116.43 0.04 . 1 . . . . 26 ASN N . 6970 1 117 . 1 1 27 27 ALA H H 1 7.60 0.02 . 1 . . . . 27 ALA H . 6970 1 118 . 1 1 27 27 ALA C C 13 176.50 0.10 . 1 . . . . 27 ALA C . 6970 1 119 . 1 1 27 27 ALA CA C 13 51.30 0.20 . 1 . . . . 27 ALA CA . 6970 1 120 . 1 1 27 27 ALA CB C 13 20.90 0.20 . 1 . . . . 27 ALA CB . 6970 1 121 . 1 1 27 27 ALA N N 15 120.81 0.04 . 1 . . . . 27 ALA N . 6970 1 122 . 1 1 28 28 PHE H H 1 8.39 0.02 . 1 . . . . 28 PHE H . 6970 1 123 . 1 1 28 28 PHE C C 13 171.40 0.10 . 1 . . . . 28 PHE C . 6970 1 124 . 1 1 28 28 PHE CA C 13 59.70 0.20 . 1 . . . . 28 PHE CA . 6970 1 125 . 1 1 28 28 PHE CB C 13 41.60 0.20 . 1 . . . . 28 PHE CB . 6970 1 126 . 1 1 28 28 PHE N N 15 121.62 0.04 . 1 . . . . 28 PHE N . 6970 1 127 . 1 1 29 29 PRO CA C 13 62.80 0.20 . 1 . . . . 29 PRO CA . 6970 1 128 . 1 1 29 29 PRO CB C 13 31.90 0.20 . 1 . . . . 29 PRO CB . 6970 1 129 . 1 1 30 30 GLY H H 1 7.88 0.02 . 1 . . . . 30 GLY H . 6970 1 130 . 1 1 30 30 GLY CA C 13 43.30 0.20 . 1 . . . . 30 GLY CA . 6970 1 131 . 1 1 30 30 GLY N N 15 120.90 0.04 . 1 . . . . 30 GLY N . 6970 1 132 . 1 1 31 31 GLU C C 13 176.40 0.10 . 1 . . . . 31 GLU C . 6970 1 133 . 1 1 31 31 GLU CA C 13 60.70 0.20 . 1 . . . . 31 GLU CA . 6970 1 134 . 1 1 31 31 GLU CB C 13 31.50 0.20 . 1 . . . . 31 GLU CB . 6970 1 135 . 1 1 31 31 GLU CG C 13 37.10 0.28 . 1 . . . . 31 GLU CG . 6970 1 136 . 1 1 32 32 TYR H H 1 9.03 0.02 . 1 . . . . 32 TYR H . 6970 1 137 . 1 1 32 32 TYR CA C 13 61.90 0.20 . 1 . . . . 32 TYR CA . 6970 1 138 . 1 1 32 32 TYR CB C 13 36.40 0.20 . 1 . . . . 32 TYR CB . 6970 1 139 . 1 1 32 32 TYR N N 15 117.54 0.04 . 1 . . . . 32 TYR N . 6970 1 140 . 1 1 37 37 PHE C C 13 176.20 0.10 . 1 . . . . 37 PHE C . 6970 1 141 . 1 1 37 37 PHE CA C 13 58.00 0.20 . 1 . . . . 37 PHE CA . 6970 1 142 . 1 1 37 37 PHE CB C 13 45.30 0.20 . 1 . . . . 37 PHE CB . 6970 1 143 . 1 1 38 38 ASP H H 1 8.10 0.02 . 1 . . . . 38 ASP H . 6970 1 144 . 1 1 38 38 ASP C C 13 178.30 0.10 . 1 . . . . 38 ASP C . 6970 1 145 . 1 1 38 38 ASP CA C 13 58.10 0.20 . 1 . . . . 38 ASP CA . 6970 1 146 . 1 1 38 38 ASP CB C 13 37.70 0.20 . 1 . . . . 38 ASP CB . 6970 1 147 . 1 1 38 38 ASP N N 15 122.97 0.04 . 1 . . . . 38 ASP N . 6970 1 148 . 1 1 39 39 ASN H H 1 8.53 0.02 . 1 . . . . 39 ASN H . 6970 1 149 . 1 1 39 39 ASN C C 13 177.00 0.10 . 1 . . . . 39 ASN C . 6970 1 150 . 1 1 39 39 ASN CA C 13 55.70 0.20 . 1 . . . . 39 ASN CA . 6970 1 151 . 1 1 39 39 ASN CB C 13 39.60 0.20 . 1 . . . . 39 ASN CB . 6970 1 152 . 1 1 39 39 ASN N N 15 117.91 0.04 . 1 . . . . 39 ASN N . 6970 1 153 . 1 1 40 40 TYR H H 1 7.72 0.02 . 1 . . . . 40 TYR H . 6970 1 154 . 1 1 40 40 TYR CA C 13 58.20 0.20 . 1 . . . . 40 TYR CA . 6970 1 155 . 1 1 40 40 TYR CB C 13 40.50 0.20 . 1 . . . . 40 TYR CB . 6970 1 156 . 1 1 40 40 TYR N N 15 116.43 0.04 . 1 . . . . 40 TYR N . 6970 1 157 . 1 1 42 42 ALA C C 13 174.90 0.10 . 1 . . . . 42 ALA C . 6970 1 158 . 1 1 42 42 ALA CA C 13 50.90 0.20 . 1 . . . . 42 ALA CA . 6970 1 159 . 1 1 42 42 ALA CB C 13 22.10 0.20 . 1 . . . . 42 ALA CB . 6970 1 160 . 1 1 43 43 ASN H H 1 8.60 0.02 . 1 . . . . 43 ASN H . 6970 1 161 . 1 1 43 43 ASN C C 13 174.40 0.10 . 1 . . . . 43 ASN C . 6970 1 162 . 1 1 43 43 ASN CA C 13 52.80 0.20 . 1 . . . . 43 ASN CA . 6970 1 163 . 1 1 43 43 ASN CB C 13 39.50 0.20 . 1 . . . . 43 ASN CB . 6970 1 164 . 1 1 43 43 ASN N N 15 121.60 0.04 . 1 . . . . 43 ASN N . 6970 1 165 . 1 1 44 44 VAL H H 1 8.80 0.02 . 1 . . . . 44 VAL H . 6970 1 166 . 1 1 44 44 VAL C C 13 174.20 0.10 . 1 . . . . 44 VAL C . 6970 1 167 . 1 1 44 44 VAL CA C 13 60.30 0.20 . 1 . . . . 44 VAL CA . 6970 1 168 . 1 1 44 44 VAL CB C 13 35.60 0.20 . 1 . . . . 44 VAL CB . 6970 1 169 . 1 1 44 44 VAL CG1 C 13 21.60 0.28 . 2 . . . . 44 VAL CG1 . 6970 1 170 . 1 1 44 44 VAL CG2 C 13 21.60 0.28 . 2 . . . . 44 VAL CG2 . 6970 1 171 . 1 1 44 44 VAL N N 15 122.98 0.04 . 1 . . . . 44 VAL N . 6970 1 172 . 1 1 45 45 MET H H 1 8.38 0.02 . 1 . . . . 45 MET H . 6970 1 173 . 1 1 45 45 MET C C 13 176.00 0.10 . 1 . . . . 45 MET C . 6970 1 174 . 1 1 45 45 MET CA C 13 53.80 0.20 . 1 . . . . 45 MET CA . 6970 1 175 . 1 1 45 45 MET CB C 13 32.60 0.20 . 1 . . . . 45 MET CB . 6970 1 176 . 1 1 45 45 MET N N 15 123.65 0.04 . 1 . . . . 45 MET N . 6970 1 177 . 1 1 46 46 VAL H H 1 8.77 0.02 . 1 . . . . 46 VAL H . 6970 1 178 . 1 1 46 46 VAL C C 13 175.20 0.10 . 1 . . . . 46 VAL C . 6970 1 179 . 1 1 46 46 VAL CA C 13 61.60 0.20 . 1 . . . . 46 VAL CA . 6970 1 180 . 1 1 46 46 VAL CB C 13 34.10 0.20 . 1 . . . . 46 VAL CB . 6970 1 181 . 1 1 46 46 VAL CG1 C 13 22.10 0.28 . 2 . . . . 46 VAL CG1 . 6970 1 182 . 1 1 46 46 VAL CG2 C 13 22.10 0.28 . 2 . . . . 46 VAL CG2 . 6970 1 183 . 1 1 46 46 VAL N N 15 126.22 0.04 . 1 . . . . 46 VAL N . 6970 1 184 . 1 1 47 47 ASP H H 1 9.25 0.02 . 1 . . . . 47 ASP H . 6970 1 185 . 1 1 47 47 ASP C C 13 176.10 0.10 . 1 . . . . 47 ASP C . 6970 1 186 . 1 1 47 47 ASP CA C 13 55.40 0.20 . 1 . . . . 47 ASP CA . 6970 1 187 . 1 1 47 47 ASP CB C 13 39.20 0.20 . 1 . . . . 47 ASP CB . 6970 1 188 . 1 1 47 47 ASP N N 15 127.74 0.04 . 1 . . . . 47 ASP N . 6970 1 189 . 1 1 48 48 GLY H H 1 8.44 0.02 . 1 . . . . 48 GLY H . 6970 1 190 . 1 1 48 48 GLY C C 13 173.70 0.10 . 1 . . . . 48 GLY C . 6970 1 191 . 1 1 48 48 GLY CA C 13 45.20 0.20 . 1 . . . . 48 GLY CA . 6970 1 192 . 1 1 48 48 GLY N N 15 102.14 0.04 . 1 . . . . 48 GLY N . 6970 1 193 . 1 1 49 49 LYS H H 1 7.89 0.02 . 1 . . . . 49 LYS H . 6970 1 194 . 1 1 49 49 LYS CA C 13 52.50 0.20 . 1 . . . . 49 LYS CA . 6970 1 195 . 1 1 49 49 LYS CB C 13 33.50 0.20 . 1 . . . . 49 LYS CB . 6970 1 196 . 1 1 49 49 LYS N N 15 122.01 0.04 . 1 . . . . 49 LYS N . 6970 1 197 . 1 1 50 50 PRO C C 13 177.00 0.10 . 1 . . . . 50 PRO C . 6970 1 198 . 1 1 50 50 PRO CA C 13 62.50 0.20 . 1 . . . . 50 PRO CA . 6970 1 199 . 1 1 50 50 PRO CB C 13 31.90 0.20 . 1 . . . . 50 PRO CB . 6970 1 200 . 1 1 50 50 PRO CG C 13 27.40 0.28 . 1 . . . . 50 PRO CG . 6970 1 201 . 1 1 50 50 PRO CD C 13 48.00 0.28 . 1 . . . . 50 PRO CD . 6970 1 202 . 1 1 51 51 VAL H H 1 9.04 0.02 . 1 . . . . 51 VAL H . 6970 1 203 . 1 1 51 51 VAL C C 13 174.30 0.10 . 1 . . . . 51 VAL C . 6970 1 204 . 1 1 51 51 VAL CA C 13 60.90 0.20 . 1 . . . . 51 VAL CA . 6970 1 205 . 1 1 51 51 VAL CB C 13 35.60 0.20 . 1 . . . . 51 VAL CB . 6970 1 206 . 1 1 51 51 VAL CG1 C 13 21.30 0.28 . 2 . . . . 51 VAL CG1 . 6970 1 207 . 1 1 51 51 VAL CG2 C 13 21.30 0.28 . 2 . . . . 51 VAL CG2 . 6970 1 208 . 1 1 51 51 VAL N N 15 123.42 0.04 . 1 . . . . 51 VAL N . 6970 1 209 . 1 1 52 52 ASN H H 1 8.51 0.02 . 1 . . . . 52 ASN H . 6970 1 210 . 1 1 52 52 ASN C C 13 173.10 0.10 . 1 . . . . 52 ASN C . 6970 1 211 . 1 1 52 52 ASN CA C 13 52.60 0.20 . 1 . . . . 52 ASN CA . 6970 1 212 . 1 1 52 52 ASN CB C 13 39.70 0.20 . 1 . . . . 52 ASN CB . 6970 1 213 . 1 1 52 52 ASN N N 15 124.43 0.04 . 1 . . . . 52 ASN N . 6970 1 214 . 1 1 53 53 LEU H H 1 9.12 0.02 . 1 . . . . 53 LEU H . 6970 1 215 . 1 1 53 53 LEU C C 13 174.00 0.10 . 1 . . . . 53 LEU C . 6970 1 216 . 1 1 53 53 LEU CA C 13 54.00 0.20 . 1 . . . . 53 LEU CA . 6970 1 217 . 1 1 53 53 LEU CB C 13 44.10 0.20 . 1 . . . . 53 LEU CB . 6970 1 218 . 1 1 53 53 LEU CG C 13 28.50 0.28 . 1 . . . . 53 LEU CG . 6970 1 219 . 1 1 53 53 LEU CD1 C 13 26.80 0.28 . 2 . . . . 53 LEU CD1 . 6970 1 220 . 1 1 53 53 LEU CD2 C 13 26.80 0.28 . 2 . . . . 53 LEU CD2 . 6970 1 221 . 1 1 53 53 LEU N N 15 129.47 0.04 . 1 . . . . 53 LEU N . 6970 1 222 . 1 1 54 54 GLY H H 1 9.49 0.02 . 1 . . . . 54 GLY H . 6970 1 223 . 1 1 54 54 GLY C C 13 172.50 0.10 . 1 . . . . 54 GLY C . 6970 1 224 . 1 1 54 54 GLY CA C 13 45.20 0.20 . 1 . . . . 54 GLY CA . 6970 1 225 . 1 1 54 54 GLY N N 15 116.83 0.04 . 1 . . . . 54 GLY N . 6970 1 226 . 1 1 55 55 LEU H H 1 8.75 0.02 . 1 . . . . 55 LEU H . 6970 1 227 . 1 1 55 55 LEU CA C 13 53.70 0.20 . 1 . . . . 55 LEU CA . 6970 1 228 . 1 1 55 55 LEU CB C 13 44.40 0.20 . 1 . . . . 55 LEU CB . 6970 1 229 . 1 1 55 55 LEU N N 15 126.00 0.04 . 1 . . . . 55 LEU N . 6970 1 230 . 1 1 60 60 GLY C C 13 177.30 0.10 . 1 . . . . 60 GLY C . 6970 1 231 . 1 1 60 60 GLY CA C 13 46.20 0.20 . 1 . . . . 60 GLY CA . 6970 1 232 . 1 1 61 61 GLN H H 1 8.28 0.02 . 1 . . . . 61 GLN H . 6970 1 233 . 1 1 61 61 GLN CA C 13 55.00 0.20 . 1 . . . . 61 GLN CA . 6970 1 234 . 1 1 61 61 GLN CB C 13 33.00 0.20 . 1 . . . . 61 GLN CB . 6970 1 235 . 1 1 61 61 GLN N N 15 120.68 0.04 . 1 . . . . 61 GLN N . 6970 1 236 . 1 1 63 63 ASP C C 13 177.40 0.10 . 1 . . . . 63 ASP C . 6970 1 237 . 1 1 63 63 ASP CA C 13 57.40 0.20 . 1 . . . . 63 ASP CA . 6970 1 238 . 1 1 63 63 ASP CB C 13 45.40 0.20 . 1 . . . . 63 ASP CB . 6970 1 239 . 1 1 64 64 TYR H H 1 7.82 0.02 . 1 . . . . 64 TYR H . 6970 1 240 . 1 1 64 64 TYR CA C 13 60.70 0.20 . 1 . . . . 64 TYR CA . 6970 1 241 . 1 1 64 64 TYR CB C 13 42.20 0.20 . 1 . . . . 64 TYR CB . 6970 1 242 . 1 1 64 64 TYR N N 15 121.01 0.04 . 1 . . . . 64 TYR N . 6970 1 243 . 1 1 69 69 PRO C C 13 178.40 0.10 . 1 . . . . 69 PRO C . 6970 1 244 . 1 1 69 69 PRO CA C 13 63.60 0.20 . 1 . . . . 69 PRO CA . 6970 1 245 . 1 1 69 69 PRO CB C 13 30.00 0.20 . 1 . . . . 69 PRO CB . 6970 1 246 . 1 1 70 70 LEU H H 1 7.44 0.02 . 1 . . . . 70 LEU H . 6970 1 247 . 1 1 70 70 LEU C C 13 179.20 0.10 . 1 . . . . 70 LEU C . 6970 1 248 . 1 1 70 70 LEU CA C 13 57.10 0.20 . 1 . . . . 70 LEU CA . 6970 1 249 . 1 1 70 70 LEU CB C 13 40.30 0.20 . 1 . . . . 70 LEU CB . 6970 1 250 . 1 1 70 70 LEU CG C 13 25.50 0.28 . 1 . . . . 70 LEU CG . 6970 1 251 . 1 1 70 70 LEU N N 15 118.86 0.04 . 1 . . . . 70 LEU N . 6970 1 252 . 1 1 71 71 SER H H 1 7.84 0.02 . 1 . . . . 71 SER H . 6970 1 253 . 1 1 71 71 SER C C 13 174.20 0.10 . 1 . . . . 71 SER C . 6970 1 254 . 1 1 71 71 SER CA C 13 60.20 0.20 . 1 . . . . 71 SER CA . 6970 1 255 . 1 1 71 71 SER CB C 13 63.80 0.20 . 1 . . . . 71 SER CB . 6970 1 256 . 1 1 71 71 SER N N 15 112.10 0.04 . 1 . . . . 71 SER N . 6970 1 257 . 1 1 72 72 TYR H H 1 7.16 0.02 . 1 . . . . 72 TYR H . 6970 1 258 . 1 1 72 72 TYR CA C 13 56.20 0.20 . 1 . . . . 72 TYR CA . 6970 1 259 . 1 1 72 72 TYR N N 15 120.16 0.04 . 1 . . . . 72 TYR N . 6970 1 260 . 1 1 73 73 PRO C C 13 176.10 0.10 . 1 . . . . 73 PRO C . 6970 1 261 . 1 1 73 73 PRO CA C 13 66.00 0.20 . 1 . . . . 73 PRO CA . 6970 1 262 . 1 1 73 73 PRO CB C 13 33.90 0.20 . 1 . . . . 73 PRO CB . 6970 1 263 . 1 1 73 73 PRO CG C 13 28.90 0.28 . 1 . . . . 73 PRO CG . 6970 1 264 . 1 1 73 73 PRO CD C 13 51.90 0.28 . 1 . . . . 73 PRO CD . 6970 1 265 . 1 1 74 74 GLN H H 1 8.90 0.02 . 1 . . . . 74 GLN H . 6970 1 266 . 1 1 74 74 GLN C C 13 175.00 0.10 . 1 . . . . 74 GLN C . 6970 1 267 . 1 1 74 74 GLN CA C 13 57.20 0.20 . 1 . . . . 74 GLN CA . 6970 1 268 . 1 1 74 74 GLN CB C 13 25.80 0.20 . 1 . . . . 74 GLN CB . 6970 1 269 . 1 1 74 74 GLN CG C 13 34.70 0.28 . 1 . . . . 74 GLN CG . 6970 1 270 . 1 1 74 74 GLN N N 15 114.77 0.04 . 1 . . . . 74 GLN N . 6970 1 271 . 1 1 75 75 THR H H 1 7.35 0.02 . 1 . . . . 75 THR H . 6970 1 272 . 1 1 75 75 THR CA C 13 67.00 0.20 . 1 . . . . 75 THR CA . 6970 1 273 . 1 1 75 75 THR CB C 13 67.70 0.20 . 1 . . . . 75 THR CB . 6970 1 274 . 1 1 75 75 THR CG2 C 13 19.30 0.28 . 1 . . . . 75 THR CG2 . 6970 1 275 . 1 1 75 75 THR N N 15 117.15 0.04 . 1 . . . . 75 THR N . 6970 1 276 . 1 1 76 76 ASP H H 1 8.76 0.02 . 1 . . . . 76 ASP H . 6970 1 277 . 1 1 76 76 ASP C C 13 174.60 0.10 . 1 . . . . 76 ASP C . 6970 1 278 . 1 1 76 76 ASP CA C 13 56.30 0.20 . 1 . . . . 76 ASP CA . 6970 1 279 . 1 1 76 76 ASP CB C 13 44.10 0.20 . 1 . . . . 76 ASP CB . 6970 1 280 . 1 1 76 76 ASP N N 15 124.12 0.04 . 1 . . . . 76 ASP N . 6970 1 281 . 1 1 77 77 VAL H H 1 7.37 0.02 . 1 . . . . 77 VAL H . 6970 1 282 . 1 1 77 77 VAL C C 13 171.10 0.10 . 1 . . . . 77 VAL C . 6970 1 283 . 1 1 77 77 VAL CA C 13 60.30 0.20 . 1 . . . . 77 VAL CA . 6970 1 284 . 1 1 77 77 VAL CB C 13 32.70 0.20 . 1 . . . . 77 VAL CB . 6970 1 285 . 1 1 77 77 VAL CG1 C 13 20.10 0.28 . 2 . . . . 77 VAL CG1 . 6970 1 286 . 1 1 77 77 VAL CG2 C 13 20.10 0.28 . 2 . . . . 77 VAL CG2 . 6970 1 287 . 1 1 77 77 VAL N N 15 116.52 0.04 . 1 . . . . 77 VAL N . 6970 1 288 . 1 1 78 78 PHE H H 1 8.48 0.02 . 1 . . . . 78 PHE H . 6970 1 289 . 1 1 78 78 PHE C C 13 175.70 0.10 . 1 . . . . 78 PHE C . 6970 1 290 . 1 1 78 78 PHE CA C 13 57.10 0.20 . 1 . . . . 78 PHE CA . 6970 1 291 . 1 1 78 78 PHE CB C 13 43.20 0.20 . 1 . . . . 78 PHE CB . 6970 1 292 . 1 1 78 78 PHE N N 15 123.43 0.04 . 1 . . . . 78 PHE N . 6970 1 293 . 1 1 79 79 LEU H H 1 8.81 0.02 . 1 . . . . 79 LEU H . 6970 1 294 . 1 1 79 79 LEU C C 13 176.40 0.10 . 1 . . . . 79 LEU C . 6970 1 295 . 1 1 79 79 LEU CA C 13 53.20 0.20 . 1 . . . . 79 LEU CA . 6970 1 296 . 1 1 79 79 LEU CB C 13 41.50 0.20 . 1 . . . . 79 LEU CB . 6970 1 297 . 1 1 79 79 LEU CG C 13 25.50 0.28 . 1 . . . . 79 LEU CG . 6970 1 298 . 1 1 79 79 LEU CD1 C 13 24.00 0.28 . 2 . . . . 79 LEU CD1 . 6970 1 299 . 1 1 79 79 LEU CD2 C 13 24.00 0.28 . 2 . . . . 79 LEU CD2 . 6970 1 300 . 1 1 79 79 LEU N N 15 119.23 0.04 . 1 . . . . 79 LEU N . 6970 1 301 . 1 1 80 80 ILE H H 1 8.54 0.02 . 1 . . . . 80 ILE H . 6970 1 302 . 1 1 80 80 ILE C C 13 174.80 0.10 . 1 . . . . 80 ILE C . 6970 1 303 . 1 1 80 80 ILE CA C 13 61.10 0.20 . 1 . . . . 80 ILE CA . 6970 1 304 . 1 1 80 80 ILE CB C 13 38.20 0.20 . 1 . . . . 80 ILE CB . 6970 1 305 . 1 1 80 80 ILE N N 15 121.87 0.04 . 1 . . . . 80 ILE N . 6970 1 306 . 1 1 81 81 CYS H H 1 8.89 0.02 . 1 . . . . 81 CYS H . 6970 1 307 . 1 1 81 81 CYS C C 13 174.10 0.10 . 1 . . . . 81 CYS C . 6970 1 308 . 1 1 81 81 CYS CA C 13 56.90 0.20 . 1 . . . . 81 CYS CA . 6970 1 309 . 1 1 81 81 CYS CB C 13 30.40 0.20 . 1 . . . . 81 CYS CB . 6970 1 310 . 1 1 81 81 CYS N N 15 123.94 0.04 . 1 . . . . 81 CYS N . 6970 1 311 . 1 1 82 82 PHE H H 1 8.85 0.02 . 1 . . . . 82 PHE H . 6970 1 312 . 1 1 82 82 PHE CA C 13 56.40 0.20 . 1 . . . . 82 PHE CA . 6970 1 313 . 1 1 82 82 PHE CB C 13 40.70 0.20 . 1 . . . . 82 PHE CB . 6970 1 314 . 1 1 82 82 PHE N N 15 118.46 0.04 . 1 . . . . 82 PHE N . 6970 1 315 . 1 1 83 83 SER C C 13 177.00 0.10 . 1 . . . . 83 SER C . 6970 1 316 . 1 1 83 83 SER CA C 13 54.50 0.20 . 1 . . . . 83 SER CA . 6970 1 317 . 1 1 83 83 SER CB C 13 64.20 0.20 . 1 . . . . 83 SER CB . 6970 1 318 . 1 1 84 84 LEU H H 1 8.86 0.02 . 1 . . . . 84 LEU H . 6970 1 319 . 1 1 84 84 LEU C C 13 176.60 0.10 . 1 . . . . 84 LEU C . 6970 1 320 . 1 1 84 84 LEU CA C 13 57.50 0.20 . 1 . . . . 84 LEU CA . 6970 1 321 . 1 1 84 84 LEU CB C 13 42.80 0.20 . 1 . . . . 84 LEU CB . 6970 1 322 . 1 1 84 84 LEU N N 15 128.64 0.04 . 1 . . . . 84 LEU N . 6970 1 323 . 1 1 85 85 VAL H H 1 7.35 0.02 . 1 . . . . 85 VAL H . 6970 1 324 . 1 1 85 85 VAL C C 13 173.70 0.10 . 1 . . . . 85 VAL C . 6970 1 325 . 1 1 85 85 VAL CA C 13 59.20 0.20 . 1 . . . . 85 VAL CA . 6970 1 326 . 1 1 85 85 VAL CB C 13 30.00 0.20 . 1 . . . . 85 VAL CB . 6970 1 327 . 1 1 85 85 VAL CG1 C 13 21.20 0.28 . 2 . . . . 85 VAL CG1 . 6970 1 328 . 1 1 85 85 VAL CG2 C 13 21.20 0.28 . 2 . . . . 85 VAL CG2 . 6970 1 329 . 1 1 85 85 VAL N N 15 103.19 0.04 . 1 . . . . 85 VAL N . 6970 1 330 . 1 1 86 86 SER H H 1 7.69 0.02 . 1 . . . . 86 SER H . 6970 1 331 . 1 1 86 86 SER CA C 13 53.90 0.20 . 1 . . . . 86 SER CA . 6970 1 332 . 1 1 86 86 SER CB C 13 63.00 0.20 . 1 . . . . 86 SER CB . 6970 1 333 . 1 1 86 86 SER N N 15 112.16 0.04 . 1 . . . . 86 SER N . 6970 1 334 . 1 1 88 88 ALA C C 13 180.00 0.10 . 1 . . . . 88 ALA C . 6970 1 335 . 1 1 88 88 ALA CA C 13 52.70 0.20 . 1 . . . . 88 ALA CA . 6970 1 336 . 1 1 88 88 ALA CB C 13 18.00 0.20 . 1 . . . . 88 ALA CB . 6970 1 337 . 1 1 89 89 SER H H 1 7.98 0.02 . 1 . . . . 89 SER H . 6970 1 338 . 1 1 89 89 SER C C 13 176.30 0.10 . 1 . . . . 89 SER C . 6970 1 339 . 1 1 89 89 SER CA C 13 61.30 0.20 . 1 . . . . 89 SER CA . 6970 1 340 . 1 1 89 89 SER CB C 13 64.00 0.20 . 1 . . . . 89 SER CB . 6970 1 341 . 1 1 89 89 SER N N 15 115.53 0.04 . 1 . . . . 89 SER N . 6970 1 342 . 1 1 90 90 PHE H H 1 7.42 0.02 . 1 . . . . 90 PHE H . 6970 1 343 . 1 1 90 90 PHE C C 13 177.40 0.10 . 1 . . . . 90 PHE C . 6970 1 344 . 1 1 90 90 PHE CA C 13 59.30 0.20 . 1 . . . . 90 PHE CA . 6970 1 345 . 1 1 90 90 PHE CB C 13 39.30 0.20 . 1 . . . . 90 PHE CB . 6970 1 346 . 1 1 90 90 PHE N N 15 125.56 0.04 . 1 . . . . 90 PHE N . 6970 1 347 . 1 1 91 91 GLU H H 1 8.13 0.02 . 1 . . . . 91 GLU H . 6970 1 348 . 1 1 91 91 GLU C C 13 180.10 0.10 . 1 . . . . 91 GLU C . 6970 1 349 . 1 1 91 91 GLU CA C 13 58.80 0.20 . 1 . . . . 91 GLU CA . 6970 1 350 . 1 1 91 91 GLU CB C 13 28.40 0.20 . 1 . . . . 91 GLU CB . 6970 1 351 . 1 1 91 91 GLU CG C 13 35.60 0.28 . 1 . . . . 91 GLU CG . 6970 1 352 . 1 1 91 91 GLU N N 15 119.42 0.04 . 1 . . . . 91 GLU N . 6970 1 353 . 1 1 92 92 ASN H H 1 7.88 0.02 . 1 . . . . 92 ASN H . 6970 1 354 . 1 1 92 92 ASN C C 13 178.50 0.10 . 1 . . . . 92 ASN C . 6970 1 355 . 1 1 92 92 ASN CA C 13 54.50 0.20 . 1 . . . . 92 ASN CA . 6970 1 356 . 1 1 92 92 ASN CB C 13 38.20 0.20 . 1 . . . . 92 ASN CB . 6970 1 357 . 1 1 92 92 ASN N N 15 114.81 0.04 . 1 . . . . 92 ASN N . 6970 1 358 . 1 1 93 93 VAL H H 1 8.05 0.02 . 1 . . . . 93 VAL H . 6970 1 359 . 1 1 93 93 VAL C C 13 175.20 0.10 . 1 . . . . 93 VAL C . 6970 1 360 . 1 1 93 93 VAL CA C 13 68.60 0.20 . 1 . . . . 93 VAL CA . 6970 1 361 . 1 1 93 93 VAL CB C 13 30.80 0.20 . 1 . . . . 93 VAL CB . 6970 1 362 . 1 1 93 93 VAL N N 15 125.03 0.04 . 1 . . . . 93 VAL N . 6970 1 363 . 1 1 94 94 ARG H H 1 6.35 0.02 . 1 . . . . 94 ARG H . 6970 1 364 . 1 1 94 94 ARG C C 13 176.90 0.10 . 1 . . . . 94 ARG C . 6970 1 365 . 1 1 94 94 ARG CA C 13 58.10 0.20 . 1 . . . . 94 ARG CA . 6970 1 366 . 1 1 94 94 ARG CB C 13 30.50 0.20 . 1 . . . . 94 ARG CB . 6970 1 367 . 1 1 94 94 ARG CG C 13 27.30 0.28 . 1 . . . . 94 ARG CG . 6970 1 368 . 1 1 94 94 ARG N N 15 115.31 0.04 . 1 . . . . 94 ARG N . 6970 1 369 . 1 1 95 95 ALA H H 1 7.80 0.02 . 1 . . . . 95 ALA H . 6970 1 370 . 1 1 95 95 ALA C C 13 177.40 0.10 . 1 . . . . 95 ALA C . 6970 1 371 . 1 1 95 95 ALA CA C 13 54.00 0.20 . 1 . . . . 95 ALA CA . 6970 1 372 . 1 1 95 95 ALA CB C 13 19.90 0.20 . 1 . . . . 95 ALA CB . 6970 1 373 . 1 1 95 95 ALA N N 15 117.48 0.04 . 1 . . . . 95 ALA N . 6970 1 374 . 1 1 96 96 LYS H H 1 7.98 0.02 . 1 . . . . 96 LYS H . 6970 1 375 . 1 1 96 96 LYS C C 13 178.00 0.10 . 1 . . . . 96 LYS C . 6970 1 376 . 1 1 96 96 LYS CA C 13 57.50 0.20 . 1 . . . . 96 LYS CA . 6970 1 377 . 1 1 96 96 LYS CB C 13 35.40 0.20 . 1 . . . . 96 LYS CB . 6970 1 378 . 1 1 96 96 LYS N N 15 115.04 0.04 . 1 . . . . 96 LYS N . 6970 1 379 . 1 1 97 97 TRP H H 1 9.06 0.02 . 1 . . . . 97 TRP H . 6970 1 380 . 1 1 97 97 TRP CA C 13 58.10 0.20 . 1 . . . . 97 TRP CA . 6970 1 381 . 1 1 97 97 TRP CB C 13 29.00 0.20 . 1 . . . . 97 TRP CB . 6970 1 382 . 1 1 97 97 TRP N N 15 122.65 0.04 . 1 . . . . 97 TRP N . 6970 1 383 . 1 1 99 99 PRO C C 13 178.90 0.10 . 1 . . . . 99 PRO C . 6970 1 384 . 1 1 99 99 PRO CA C 13 65.70 0.20 . 1 . . . . 99 PRO CA . 6970 1 385 . 1 1 99 99 PRO CB C 13 30.20 0.20 . 1 . . . . 99 PRO CB . 6970 1 386 . 1 1 99 99 PRO CG C 13 28.00 0.28 . 1 . . . . 99 PRO CG . 6970 1 387 . 1 1 99 99 PRO CD C 13 48.80 0.28 . 1 . . . . 99 PRO CD . 6970 1 388 . 1 1 100 100 GLU H H 1 7.54 0.02 . 1 . . . . 100 GLU H . 6970 1 389 . 1 1 100 100 GLU C C 13 178.20 0.10 . 1 . . . . 100 GLU C . 6970 1 390 . 1 1 100 100 GLU CA C 13 60.70 0.20 . 1 . . . . 100 GLU CA . 6970 1 391 . 1 1 100 100 GLU CB C 13 29.90 0.20 . 1 . . . . 100 GLU CB . 6970 1 392 . 1 1 100 100 GLU CG C 13 37.80 0.28 . 1 . . . . 100 GLU CG . 6970 1 393 . 1 1 100 100 GLU N N 15 118.27 0.04 . 1 . . . . 100 GLU N . 6970 1 394 . 1 1 101 101 VAL H H 1 8.31 0.02 . 1 . . . . 101 VAL H . 6970 1 395 . 1 1 101 101 VAL C C 13 178.30 0.10 . 1 . . . . 101 VAL C . 6970 1 396 . 1 1 101 101 VAL CA C 13 66.60 0.20 . 1 . . . . 101 VAL CA . 6970 1 397 . 1 1 101 101 VAL CB C 13 30.50 0.20 . 1 . . . . 101 VAL CB . 6970 1 398 . 1 1 101 101 VAL CG1 C 13 20.50 0.28 . 2 . . . . 101 VAL CG1 . 6970 1 399 . 1 1 101 101 VAL CG2 C 13 20.50 0.28 . 2 . . . . 101 VAL CG2 . 6970 1 400 . 1 1 101 101 VAL N N 15 116.95 0.04 . 1 . . . . 101 VAL N . 6970 1 401 . 1 1 102 102 ARG H H 1 7.94 0.02 . 1 . . . . 102 ARG H . 6970 1 402 . 1 1 102 102 ARG C C 13 177.60 0.10 . 1 . . . . 102 ARG C . 6970 1 403 . 1 1 102 102 ARG CA C 13 57.20 0.20 . 1 . . . . 102 ARG CA . 6970 1 404 . 1 1 102 102 ARG CB C 13 28.40 0.20 . 1 . . . . 102 ARG CB . 6970 1 405 . 1 1 102 102 ARG CG C 13 25.40 0.28 . 1 . . . . 102 ARG CG . 6970 1 406 . 1 1 102 102 ARG CD C 13 45.40 0.28 . 1 . . . . 102 ARG CD . 6970 1 407 . 1 1 102 102 ARG N N 15 116.59 0.04 . 1 . . . . 102 ARG N . 6970 1 408 . 1 1 103 103 HIS H H 1 7.71 0.02 . 1 . . . . 103 HIS H . 6970 1 409 . 1 1 103 103 HIS C C 13 176.10 0.10 . 1 . . . . 103 HIS C . 6970 1 410 . 1 1 103 103 HIS CA C 13 58.90 0.20 . 1 . . . . 103 HIS CA . 6970 1 411 . 1 1 103 103 HIS CB C 13 29.60 0.20 . 1 . . . . 103 HIS CB . 6970 1 412 . 1 1 103 103 HIS N N 15 117.76 0.04 . 1 . . . . 103 HIS N . 6970 1 413 . 1 1 104 104 HIS H H 1 6.90 0.02 . 1 . . . . 104 HIS H . 6970 1 414 . 1 1 104 104 HIS C C 13 176.80 0.10 . 1 . . . . 104 HIS C . 6970 1 415 . 1 1 104 104 HIS CA C 13 58.90 0.20 . 1 . . . . 104 HIS CA . 6970 1 416 . 1 1 104 104 HIS CB C 13 34.00 0.20 . 1 . . . . 104 HIS CB . 6970 1 417 . 1 1 104 104 HIS N N 15 113.90 0.04 . 1 . . . . 104 HIS N . 6970 1 418 . 1 1 105 105 CYS H H 1 8.76 0.02 . 1 . . . . 105 CYS H . 6970 1 419 . 1 1 105 105 CYS CA C 13 56.40 0.20 . 1 . . . . 105 CYS CA . 6970 1 420 . 1 1 105 105 CYS CB C 13 28.80 0.20 . 1 . . . . 105 CYS CB . 6970 1 421 . 1 1 105 105 CYS N N 15 118.22 0.04 . 1 . . . . 105 CYS N . 6970 1 422 . 1 1 106 106 PRO C C 13 177.00 0.10 . 1 . . . . 106 PRO C . 6970 1 423 . 1 1 106 106 PRO CA C 13 65.10 0.20 . 1 . . . . 106 PRO CA . 6970 1 424 . 1 1 106 106 PRO CB C 13 32.50 0.20 . 1 . . . . 106 PRO CB . 6970 1 425 . 1 1 106 106 PRO CG C 13 27.00 0.28 . 1 . . . . 106 PRO CG . 6970 1 426 . 1 1 106 106 PRO CD C 13 53.30 0.28 . 1 . . . . 106 PRO CD . 6970 1 427 . 1 1 107 107 ASN H H 1 8.67 0.02 . 1 . . . . 107 ASN H . 6970 1 428 . 1 1 107 107 ASN C C 13 175.20 0.10 . 1 . . . . 107 ASN C . 6970 1 429 . 1 1 107 107 ASN CA C 13 52.70 0.20 . 1 . . . . 107 ASN CA . 6970 1 430 . 1 1 107 107 ASN CB C 13 39.90 0.20 . 1 . . . . 107 ASN CB . 6970 1 431 . 1 1 107 107 ASN N N 15 112.46 0.04 . 1 . . . . 107 ASN N . 6970 1 432 . 1 1 108 108 THR H H 1 6.98 0.02 . 1 . . . . 108 THR H . 6970 1 433 . 1 1 108 108 THR CA C 13 62.10 0.20 . 1 . . . . 108 THR CA . 6970 1 434 . 1 1 108 108 THR CB C 13 70.70 0.20 . 1 . . . . 108 THR CB . 6970 1 435 . 1 1 108 108 THR N N 15 119.98 0.04 . 1 . . . . 108 THR N . 6970 1 436 . 1 1 109 109 PRO C C 13 174.40 0.10 . 1 . . . . 109 PRO C . 6970 1 437 . 1 1 109 109 PRO CA C 13 63.50 0.20 . 1 . . . . 109 PRO CA . 6970 1 438 . 1 1 109 109 PRO CB C 13 33.00 0.20 . 1 . . . . 109 PRO CB . 6970 1 439 . 1 1 109 109 PRO CG C 13 27.60 0.28 . 1 . . . . 109 PRO CG . 6970 1 440 . 1 1 109 109 PRO CD C 13 52.40 0.28 . 1 . . . . 109 PRO CD . 6970 1 441 . 1 1 110 110 ILE H H 1 8.57 0.02 . 1 . . . . 110 ILE H . 6970 1 442 . 1 1 110 110 ILE C C 13 175.00 0.10 . 1 . . . . 110 ILE C . 6970 1 443 . 1 1 110 110 ILE CA C 13 59.70 0.20 . 1 . . . . 110 ILE CA . 6970 1 444 . 1 1 110 110 ILE CB C 13 43.70 0.20 . 1 . . . . 110 ILE CB . 6970 1 445 . 1 1 110 110 ILE CG1 C 13 26.30 0.28 . 1 . . . . 110 ILE CG1 . 6970 1 446 . 1 1 110 110 ILE CG2 C 13 19.95 0.28 . 1 . . . . 110 ILE CG2 . 6970 1 447 . 1 1 110 110 ILE CD1 C 13 14.40 0.28 . 1 . . . . 110 ILE CD1 . 6970 1 448 . 1 1 110 110 ILE N N 15 119.33 0.04 . 1 . . . . 110 ILE N . 6970 1 449 . 1 1 111 111 ILE H H 1 8.98 0.02 . 1 . . . . 111 ILE H . 6970 1 450 . 1 1 111 111 ILE C C 13 174.10 0.10 . 1 . . . . 111 ILE C . 6970 1 451 . 1 1 111 111 ILE CA C 13 59.40 0.20 . 1 . . . . 111 ILE CA . 6970 1 452 . 1 1 111 111 ILE CB C 13 38.60 0.20 . 1 . . . . 111 ILE CB . 6970 1 453 . 1 1 111 111 ILE CG1 C 13 27.90 0.28 . 1 . . . . 111 ILE CG1 . 6970 1 454 . 1 1 111 111 ILE CG2 C 13 16.80 0.28 . 1 . . . . 111 ILE CG2 . 6970 1 455 . 1 1 111 111 ILE CD1 C 13 12.40 0.28 . 1 . . . . 111 ILE CD1 . 6970 1 456 . 1 1 111 111 ILE N N 15 126.62 0.04 . 1 . . . . 111 ILE N . 6970 1 457 . 1 1 112 112 LEU H H 1 8.31 0.02 . 1 . . . . 112 LEU H . 6970 1 458 . 1 1 112 112 LEU C C 13 173.30 0.10 . 1 . . . . 112 LEU C . 6970 1 459 . 1 1 112 112 LEU CA C 13 53.50 0.20 . 1 . . . . 112 LEU CA . 6970 1 460 . 1 1 112 112 LEU CB C 13 44.80 0.20 . 1 . . . . 112 LEU CB . 6970 1 461 . 1 1 112 112 LEU N N 15 129.76 0.04 . 1 . . . . 112 LEU N . 6970 1 462 . 1 1 113 113 VAL H H 1 9.24 0.02 . 1 . . . . 113 VAL H . 6970 1 463 . 1 1 113 113 VAL C C 13 174.50 0.10 . 1 . . . . 113 VAL C . 6970 1 464 . 1 1 113 113 VAL CA C 13 60.30 0.20 . 1 . . . . 113 VAL CA . 6970 1 465 . 1 1 113 113 VAL CB C 13 34.90 0.20 . 1 . . . . 113 VAL CB . 6970 1 466 . 1 1 113 113 VAL CG1 C 13 22.40 0.28 . 2 . . . . 113 VAL CG1 . 6970 1 467 . 1 1 113 113 VAL CG2 C 13 22.40 0.28 . 2 . . . . 113 VAL CG2 . 6970 1 468 . 1 1 113 113 VAL N N 15 128.09 0.04 . 1 . . . . 113 VAL N . 6970 1 469 . 1 1 114 114 GLY H H 1 8.83 0.02 . 1 . . . . 114 GLY H . 6970 1 470 . 1 1 114 114 GLY C C 13 173.00 0.10 . 1 . . . . 114 GLY C . 6970 1 471 . 1 1 114 114 GLY CA C 13 44.50 0.20 . 1 . . . . 114 GLY CA . 6970 1 472 . 1 1 114 114 GLY N N 15 114.23 0.04 . 1 . . . . 114 GLY N . 6970 1 473 . 1 1 115 115 THR H H 1 9.16 0.02 . 1 . . . . 115 THR H . 6970 1 474 . 1 1 115 115 THR C C 13 175.30 0.10 . 1 . . . . 115 THR C . 6970 1 475 . 1 1 115 115 THR CA C 13 60.00 0.20 . 1 . . . . 115 THR CA . 6970 1 476 . 1 1 115 115 THR CB C 13 70.30 0.20 . 1 . . . . 115 THR CB . 6970 1 477 . 1 1 115 115 THR CG2 C 13 24.00 0.28 . 1 . . . . 115 THR CG2 . 6970 1 478 . 1 1 115 115 THR N N 15 116.70 0.04 . 1 . . . . 115 THR N . 6970 1 479 . 1 1 116 116 LYS H H 1 9.09 0.02 . 1 . . . . 116 LYS H . 6970 1 480 . 1 1 116 116 LYS C C 13 178.10 0.10 . 1 . . . . 116 LYS C . 6970 1 481 . 1 1 116 116 LYS CA C 13 57.10 0.20 . 1 . . . . 116 LYS CA . 6970 1 482 . 1 1 116 116 LYS CB C 13 28.90 0.20 . 1 . . . . 116 LYS CB . 6970 1 483 . 1 1 116 116 LYS CG C 13 24.70 0.28 . 1 . . . . 116 LYS CG . 6970 1 484 . 1 1 116 116 LYS CD C 13 29.30 0.28 . 1 . . . . 116 LYS CD . 6970 1 485 . 1 1 116 116 LYS N N 15 108.63 0.04 . 1 . . . . 116 LYS N . 6970 1 486 . 1 1 117 117 LEU H H 1 8.28 0.02 . 1 . . . . 117 LEU H . 6970 1 487 . 1 1 117 117 LEU C C 13 177.60 0.10 . 1 . . . . 117 LEU C . 6970 1 488 . 1 1 117 117 LEU CA C 13 58.00 0.20 . 1 . . . . 117 LEU CA . 6970 1 489 . 1 1 117 117 LEU CB C 13 42.90 0.20 . 1 . . . . 117 LEU CB . 6970 1 490 . 1 1 117 117 LEU CG C 13 28.50 0.28 . 1 . . . . 117 LEU CG . 6970 1 491 . 1 1 117 117 LEU CD1 C 13 26.40 0.28 . 2 . . . . 117 LEU CD1 . 6970 1 492 . 1 1 117 117 LEU CD2 C 13 26.40 0.28 . 2 . . . . 117 LEU CD2 . 6970 1 493 . 1 1 117 117 LEU N N 15 115.99 0.04 . 1 . . . . 117 LEU N . 6970 1 494 . 1 1 118 118 ASP H H 1 8.49 0.02 . 1 . . . . 118 ASP H . 6970 1 495 . 1 1 118 118 ASP C C 13 175.90 0.10 . 1 . . . . 118 ASP C . 6970 1 496 . 1 1 118 118 ASP CA C 13 55.50 0.20 . 1 . . . . 118 ASP CA . 6970 1 497 . 1 1 118 118 ASP CB C 13 40.60 0.20 . 1 . . . . 118 ASP CB . 6970 1 498 . 1 1 118 118 ASP N N 15 112.61 0.04 . 1 . . . . 118 ASP N . 6970 1 499 . 1 1 119 119 LEU H H 1 7.82 0.02 . 1 . . . . 119 LEU H . 6970 1 500 . 1 1 119 119 LEU C C 13 178.10 0.10 . 1 . . . . 119 LEU C . 6970 1 501 . 1 1 119 119 LEU CA C 13 54.60 0.20 . 1 . . . . 119 LEU CA . 6970 1 502 . 1 1 119 119 LEU CB C 13 42.50 0.20 . 1 . . . . 119 LEU CB . 6970 1 503 . 1 1 119 119 LEU CG C 13 26.30 0.28 . 1 . . . . 119 LEU CG . 6970 1 504 . 1 1 119 119 LEU N N 15 116.90 0.04 . 1 . . . . 119 LEU N . 6970 1 505 . 1 1 120 120 ARG H H 1 7.16 0.02 . 1 . . . . 120 ARG H . 6970 1 506 . 1 1 120 120 ARG C C 13 174.20 0.10 . 1 . . . . 120 ARG C . 6970 1 507 . 1 1 120 120 ARG CA C 13 60.40 0.20 . 1 . . . . 120 ARG CA . 6970 1 508 . 1 1 120 120 ARG CB C 13 30.20 0.20 . 1 . . . . 120 ARG CB . 6970 1 509 . 1 1 120 120 ARG CG C 13 27.40 0.28 . 1 . . . . 120 ARG CG . 6970 1 510 . 1 1 120 120 ARG CD C 13 40.80 0.28 . 1 . . . . 120 ARG CD . 6970 1 511 . 1 1 120 120 ARG N N 15 118.83 0.04 . 1 . . . . 120 ARG N . 6970 1 512 . 1 1 121 121 ASP H H 1 7.23 0.02 . 1 . . . . 121 ASP H . 6970 1 513 . 1 1 121 121 ASP C C 13 175.50 0.10 . 1 . . . . 121 ASP C . 6970 1 514 . 1 1 121 121 ASP CA C 13 52.60 0.20 . 1 . . . . 121 ASP CA . 6970 1 515 . 1 1 121 121 ASP CB C 13 41.10 0.20 . 1 . . . . 121 ASP CB . 6970 1 516 . 1 1 121 121 ASP N N 15 112.05 0.04 . 1 . . . . 121 ASP N . 6970 1 517 . 1 1 122 122 ASP H H 1 7.15 0.02 . 1 . . . . 122 ASP H . 6970 1 518 . 1 1 122 122 ASP C C 13 175.00 0.10 . 1 . . . . 122 ASP C . 6970 1 519 . 1 1 122 122 ASP CA C 13 54.00 0.20 . 1 . . . . 122 ASP CA . 6970 1 520 . 1 1 122 122 ASP CB C 13 43.70 0.20 . 1 . . . . 122 ASP CB . 6970 1 521 . 1 1 122 122 ASP N N 15 122.00 0.04 . 1 . . . . 122 ASP N . 6970 1 522 . 1 1 123 123 LYS H H 1 8.79 0.02 . 1 . . . . 123 LYS H . 6970 1 523 . 1 1 123 123 LYS C C 13 178.10 0.10 . 1 . . . . 123 LYS C . 6970 1 524 . 1 1 123 123 LYS CA C 13 60.50 0.20 . 1 . . . . 123 LYS CA . 6970 1 525 . 1 1 123 123 LYS CB C 13 32.20 0.20 . 1 . . . . 123 LYS CB . 6970 1 526 . 1 1 123 123 LYS CG C 13 24.50 0.28 . 1 . . . . 123 LYS CG . 6970 1 527 . 1 1 123 123 LYS CD C 13 29.30 0.28 . 1 . . . . 123 LYS CD . 6970 1 528 . 1 1 123 123 LYS N N 15 129.65 0.04 . 1 . . . . 123 LYS N . 6970 1 529 . 1 1 124 124 ASP H H 1 8.44 0.02 . 1 . . . . 124 ASP H . 6970 1 530 . 1 1 124 124 ASP C C 13 178.60 0.10 . 1 . . . . 124 ASP C . 6970 1 531 . 1 1 124 124 ASP CA C 13 57.90 0.20 . 1 . . . . 124 ASP CA . 6970 1 532 . 1 1 124 124 ASP CB C 13 40.40 0.20 . 1 . . . . 124 ASP CB . 6970 1 533 . 1 1 124 124 ASP N N 15 118.40 0.04 . 1 . . . . 124 ASP N . 6970 1 534 . 1 1 125 125 THR H H 1 7.98 0.02 . 1 . . . . 125 THR H . 6970 1 535 . 1 1 125 125 THR C C 13 176.50 0.10 . 1 . . . . 125 THR C . 6970 1 536 . 1 1 125 125 THR CA C 13 67.90 0.20 . 1 . . . . 125 THR CA . 6970 1 537 . 1 1 125 125 THR CG2 C 13 21.00 0.20 . 1 . . . . 125 THR CG . 6970 1 538 . 1 1 125 125 THR N N 15 118.78 0.04 . 1 . . . . 125 THR N . 6970 1 539 . 1 1 126 126 ILE H H 1 8.45 0.02 . 1 . . . . 126 ILE H . 6970 1 540 . 1 1 126 126 ILE C C 13 179.30 0.10 . 1 . . . . 126 ILE C . 6970 1 541 . 1 1 126 126 ILE CA C 13 65.80 0.20 . 1 . . . . 126 ILE CA . 6970 1 542 . 1 1 126 126 ILE CB C 13 37.60 0.20 . 1 . . . . 126 ILE CB . 6970 1 543 . 1 1 126 126 ILE N N 15 122.19 0.04 . 1 . . . . 126 ILE N . 6970 1 544 . 1 1 127 127 GLU H H 1 8.38 0.02 . 1 . . . . 127 GLU H . 6970 1 545 . 1 1 127 127 GLU C C 13 179.10 0.10 . 1 . . . . 127 GLU C . 6970 1 546 . 1 1 127 127 GLU CA C 13 59.60 0.20 . 1 . . . . 127 GLU CA . 6970 1 547 . 1 1 127 127 GLU CB C 13 29.10 0.20 . 1 . . . . 127 GLU CB . 6970 1 548 . 1 1 127 127 GLU CG C 13 36.30 0.28 . 1 . . . . 127 GLU CG . 6970 1 549 . 1 1 127 127 GLU N N 15 120.57 0.04 . 1 . . . . 127 GLU N . 6970 1 550 . 1 1 128 128 LYS H H 1 8.01 0.02 . 1 . . . . 128 LYS H . 6970 1 551 . 1 1 128 128 LYS C C 13 180.50 0.10 . 1 . . . . 128 LYS C . 6970 1 552 . 1 1 128 128 LYS CA C 13 59.30 0.20 . 1 . . . . 128 LYS CA . 6970 1 553 . 1 1 128 128 LYS CB C 13 32.00 0.20 . 1 . . . . 128 LYS CB . 6970 1 554 . 1 1 128 128 LYS CG C 13 25.50 0.28 . 1 . . . . 128 LYS CG . 6970 1 555 . 1 1 128 128 LYS CD C 13 29.00 0.28 . 1 . . . . 128 LYS CD . 6970 1 556 . 1 1 128 128 LYS N N 15 120.91 0.04 . 1 . . . . 128 LYS N . 6970 1 557 . 1 1 129 129 LEU H H 1 8.13 0.02 . 1 . . . . 129 LEU H . 6970 1 558 . 1 1 129 129 LEU C C 13 179.70 0.10 . 1 . . . . 129 LEU C . 6970 1 559 . 1 1 129 129 LEU CA C 13 58.20 0.20 . 1 . . . . 129 LEU CA . 6970 1 560 . 1 1 129 129 LEU CB C 13 41.50 0.20 . 1 . . . . 129 LEU CB . 6970 1 561 . 1 1 129 129 LEU CG C 13 27.50 0.28 . 1 . . . . 129 LEU CG . 6970 1 562 . 1 1 129 129 LEU CD1 C 13 25.50 0.28 . 2 . . . . 129 LEU CD1 . 6970 1 563 . 1 1 129 129 LEU CD2 C 13 25.50 0.28 . 2 . . . . 129 LEU CD2 . 6970 1 564 . 1 1 129 129 LEU N N 15 120.05 0.04 . 1 . . . . 129 LEU N . 6970 1 565 . 1 1 130 130 LYS H H 1 8.33 0.02 . 1 . . . . 130 LYS H . 6970 1 566 . 1 1 130 130 LYS C C 13 180.90 0.10 . 1 . . . . 130 LYS C . 6970 1 567 . 1 1 130 130 LYS CA C 13 59.90 0.20 . 1 . . . . 130 LYS CA . 6970 1 568 . 1 1 130 130 LYS CB C 13 32.20 0.20 . 1 . . . . 130 LYS CB . 6970 1 569 . 1 1 130 130 LYS CG C 13 25.20 0.28 . 1 . . . . 130 LYS CG . 6970 1 570 . 1 1 130 130 LYS CD C 13 29.40 0.28 . 1 . . . . 130 LYS CD . 6970 1 571 . 1 1 130 130 LYS N N 15 121.55 0.04 . 1 . . . . 130 LYS N . 6970 1 572 . 1 1 131 131 GLU H H 1 7.75 0.02 . 1 . . . . 131 GLU H . 6970 1 573 . 1 1 131 131 GLU C C 13 177.70 0.10 . 1 . . . . 131 GLU C . 6970 1 574 . 1 1 131 131 GLU CA C 13 59.20 0.20 . 1 . . . . 131 GLU CA . 6970 1 575 . 1 1 131 131 GLU CB C 13 29.60 0.20 . 1 . . . . 131 GLU CB . 6970 1 576 . 1 1 131 131 GLU CG C 13 36.40 0.28 . 1 . . . . 131 GLU CG . 6970 1 577 . 1 1 131 131 GLU N N 15 120.68 0.04 . 1 . . . . 131 GLU N . 6970 1 578 . 1 1 132 132 LYS H H 1 7.23 0.02 . 1 . . . . 132 LYS H . 6970 1 579 . 1 1 132 132 LYS C C 13 174.60 0.10 . 1 . . . . 132 LYS C . 6970 1 580 . 1 1 132 132 LYS CA C 13 54.90 0.20 . 1 . . . . 132 LYS CA . 6970 1 581 . 1 1 132 132 LYS CB C 13 32.70 0.20 . 1 . . . . 132 LYS CB . 6970 1 582 . 1 1 132 132 LYS CG C 13 24.80 0.28 . 1 . . . . 132 LYS CG . 6970 1 583 . 1 1 132 132 LYS CD C 13 29.10 0.28 . 1 . . . . 132 LYS CD . 6970 1 584 . 1 1 132 132 LYS N N 15 116.92 0.04 . 1 . . . . 132 LYS N . 6970 1 585 . 1 1 133 133 LYS H H 1 8.05 0.02 . 1 . . . . 133 LYS H . 6970 1 586 . 1 1 133 133 LYS C C 13 175.30 0.10 . 1 . . . . 133 LYS C . 6970 1 587 . 1 1 133 133 LYS CA C 13 57.30 0.20 . 1 . . . . 133 LYS CA . 6970 1 588 . 1 1 133 133 LYS CB C 13 28.40 0.20 . 1 . . . . 133 LYS CB . 6970 1 589 . 1 1 133 133 LYS CG C 13 25.20 0.28 . 1 . . . . 133 LYS CG . 6970 1 590 . 1 1 133 133 LYS CD C 13 28.90 0.28 . 1 . . . . 133 LYS CD . 6970 1 591 . 1 1 133 133 LYS N N 15 114.27 0.04 . 1 . . . . 133 LYS N . 6970 1 592 . 1 1 134 134 LEU H H 1 7.91 0.02 . 1 . . . . 134 LEU H . 6970 1 593 . 1 1 134 134 LEU C C 13 176.30 0.10 . 1 . . . . 134 LEU C . 6970 1 594 . 1 1 134 134 LEU CA C 13 52.90 0.20 . 1 . . . . 134 LEU CA . 6970 1 595 . 1 1 134 134 LEU CB C 13 46.50 0.20 . 1 . . . . 134 LEU CB . 6970 1 596 . 1 1 134 134 LEU N N 15 118.10 0.04 . 1 . . . . 134 LEU N . 6970 1 597 . 1 1 135 135 THR H H 1 7.78 0.02 . 1 . . . . 135 THR H . 6970 1 598 . 1 1 135 135 THR CA C 13 59.00 0.20 . 1 . . . . 135 THR CA . 6970 1 599 . 1 1 135 135 THR CB C 13 70.60 0.20 . 1 . . . . 135 THR CB . 6970 1 600 . 1 1 135 135 THR N N 15 113.01 0.04 . 1 . . . . 135 THR N . 6970 1 601 . 1 1 136 136 PRO C C 13 175.10 0.10 . 1 . . . . 136 PRO C . 6970 1 602 . 1 1 136 136 PRO CA C 13 62.60 0.20 . 1 . . . . 136 PRO CA . 6970 1 603 . 1 1 136 136 PRO CB C 13 32.60 0.20 . 1 . . . . 136 PRO CB . 6970 1 604 . 1 1 137 137 ILE H H 1 8.67 0.02 . 1 . . . . 137 ILE H . 6970 1 605 . 1 1 137 137 ILE C C 13 175.70 0.10 . 1 . . . . 137 ILE C . 6970 1 606 . 1 1 137 137 ILE CA C 13 59.60 0.20 . 1 . . . . 137 ILE CA . 6970 1 607 . 1 1 137 137 ILE CB C 13 36.20 0.20 . 1 . . . . 137 ILE CB . 6970 1 608 . 1 1 137 137 ILE CG1 C 13 27.10 0.28 . 1 . . . . 137 ILE CG1 . 6970 1 609 . 1 1 137 137 ILE CG2 C 13 19.50 0.28 . 1 . . . . 137 ILE CG2 . 6970 1 610 . 1 1 137 137 ILE CD1 C 13 16.80 0.28 . 1 . . . . 137 ILE CD1 . 6970 1 611 . 1 1 137 137 ILE N N 15 122.92 0.04 . 1 . . . . 137 ILE N . 6970 1 612 . 1 1 138 138 THR H H 1 7.84 0.02 . 1 . . . . 138 THR H . 6970 1 613 . 1 1 138 138 THR C C 13 174.20 0.10 . 1 . . . . 138 THR C . 6970 1 614 . 1 1 138 138 THR CA C 13 60.50 0.20 . 1 . . . . 138 THR CA . 6970 1 615 . 1 1 138 138 THR CB C 13 71.20 0.20 . 1 . . . . 138 THR CB . 6970 1 616 . 1 1 138 138 THR N N 15 116.70 0.04 . 1 . . . . 138 THR N . 6970 1 617 . 1 1 139 139 TYR H H 1 9.06 0.02 . 1 . . . . 139 TYR H . 6970 1 618 . 1 1 139 139 TYR CA C 13 62.70 0.20 . 1 . . . . 139 TYR CA . 6970 1 619 . 1 1 139 139 TYR CB C 13 35.70 0.20 . 1 . . . . 139 TYR CB . 6970 1 620 . 1 1 139 139 TYR N N 15 121.40 0.04 . 1 . . . . 139 TYR N . 6970 1 621 . 1 1 140 140 PRO C C 13 180.20 0.10 . 1 . . . . 140 PRO C . 6970 1 622 . 1 1 140 140 PRO CA C 13 65.90 0.20 . 1 . . . . 140 PRO CA . 6970 1 623 . 1 1 140 140 PRO CB C 13 30.80 0.20 . 1 . . . . 140 PRO CB . 6970 1 624 . 1 1 140 140 PRO CG C 13 28.30 0.28 . 1 . . . . 140 PRO CG . 6970 1 625 . 1 1 141 141 GLN H H 1 7.16 0.02 . 1 . . . . 141 GLN H . 6970 1 626 . 1 1 141 141 GLN C C 13 179.40 0.10 . 1 . . . . 141 GLN C . 6970 1 627 . 1 1 141 141 GLN CA C 13 58.90 0.20 . 1 . . . . 141 GLN CA . 6970 1 628 . 1 1 141 141 GLN CB C 13 29.20 0.20 . 1 . . . . 141 GLN CB . 6970 1 629 . 1 1 141 141 GLN CG C 13 35.00 0.28 . 1 . . . . 141 GLN CG . 6970 1 630 . 1 1 141 141 GLN N N 15 117.48 0.04 . 1 . . . . 141 GLN N . 6970 1 631 . 1 1 142 142 GLY H H 1 8.08 0.02 . 1 . . . . 142 GLY H . 6970 1 632 . 1 1 142 142 GLY C C 13 174.80 0.10 . 1 . . . . 142 GLY C . 6970 1 633 . 1 1 142 142 GLY CA C 13 46.50 0.20 . 1 . . . . 142 GLY CA . 6970 1 634 . 1 1 142 142 GLY N N 15 110.86 0.04 . 1 . . . . 142 GLY N . 6970 1 635 . 1 1 143 143 LEU H H 1 7.81 0.02 . 1 . . . . 143 LEU H . 6970 1 636 . 1 1 143 143 LEU C C 13 179.40 0.10 . 1 . . . . 143 LEU C . 6970 1 637 . 1 1 143 143 LEU CA C 13 57.30 0.20 . 1 . . . . 143 LEU CA . 6970 1 638 . 1 1 143 143 LEU CB C 13 42.10 0.20 . 1 . . . . 143 LEU CB . 6970 1 639 . 1 1 143 143 LEU CG C 13 25.90 0.28 . 1 . . . . 143 LEU CG . 6970 1 640 . 1 1 143 143 LEU CD1 C 13 24.40 0.28 . 2 . . . . 143 LEU CD1 . 6970 1 641 . 1 1 143 143 LEU CD2 C 13 24.40 0.28 . 2 . . . . 143 LEU CD2 . 6970 1 642 . 1 1 143 143 LEU N N 15 121.20 0.04 . 1 . . . . 143 LEU N . 6970 1 643 . 1 1 144 144 ALA H H 1 7.51 0.02 . 1 . . . . 144 ALA H . 6970 1 644 . 1 1 144 144 ALA C C 13 180.90 0.10 . 1 . . . . 144 ALA C . 6970 1 645 . 1 1 144 144 ALA CA C 13 54.80 0.20 . 1 . . . . 144 ALA CA . 6970 1 646 . 1 1 144 144 ALA CB C 13 17.50 0.20 . 1 . . . . 144 ALA CB . 6970 1 647 . 1 1 144 144 ALA N N 15 120.47 0.04 . 1 . . . . 144 ALA N . 6970 1 648 . 1 1 145 145 MET H H 1 7.69 0.02 . 1 . . . . 145 MET H . 6970 1 649 . 1 1 145 145 MET C C 13 177.20 0.10 . 1 . . . . 145 MET C . 6970 1 650 . 1 1 145 145 MET CA C 13 56.90 0.20 . 1 . . . . 145 MET CA . 6970 1 651 . 1 1 145 145 MET CB C 13 31.90 0.20 . 1 . . . . 145 MET CB . 6970 1 652 . 1 1 145 145 MET N N 15 120.91 0.04 . 1 . . . . 145 MET N . 6970 1 653 . 1 1 146 146 ALA H H 1 8.11 0.02 . 1 . . . . 146 ALA H . 6970 1 654 . 1 1 146 146 ALA C C 13 178.80 0.10 . 1 . . . . 146 ALA C . 6970 1 655 . 1 1 146 146 ALA CA C 13 55.00 0.20 . 1 . . . . 146 ALA CA . 6970 1 656 . 1 1 146 146 ALA CB C 13 18.50 0.20 . 1 . . . . 146 ALA CB . 6970 1 657 . 1 1 146 146 ALA N N 15 121.06 0.04 . 1 . . . . 146 ALA N . 6970 1 658 . 1 1 147 147 LYS H H 1 7.74 0.02 . 1 . . . . 147 LYS H . 6970 1 659 . 1 1 147 147 LYS C C 13 179.60 0.10 . 1 . . . . 147 LYS C . 6970 1 660 . 1 1 147 147 LYS CA C 13 58.80 0.20 . 1 . . . . 147 LYS CA . 6970 1 661 . 1 1 147 147 LYS CB C 13 31.80 0.20 . 1 . . . . 147 LYS CB . 6970 1 662 . 1 1 147 147 LYS CG C 13 25.00 0.28 . 1 . . . . 147 LYS CG . 6970 1 663 . 1 1 147 147 LYS N N 15 117.15 0.04 . 1 . . . . 147 LYS N . 6970 1 664 . 1 1 148 148 GLU H H 1 7.83 0.02 . 1 . . . . 148 GLU H . 6970 1 665 . 1 1 148 148 GLU C C 13 178.50 0.10 . 1 . . . . 148 GLU C . 6970 1 666 . 1 1 148 148 GLU CA C 13 59.60 0.20 . 1 . . . . 148 GLU CA . 6970 1 667 . 1 1 148 148 GLU CB C 13 29.20 0.20 . 1 . . . . 148 GLU CB . 6970 1 668 . 1 1 148 148 GLU CG C 13 35.80 0.28 . 1 . . . . 148 GLU CG . 6970 1 669 . 1 1 148 148 GLU N N 15 121.69 0.04 . 1 . . . . 148 GLU N . 6970 1 670 . 1 1 149 149 ILE H H 1 7.49 0.02 . 1 . . . . 149 ILE H . 6970 1 671 . 1 1 149 149 ILE C C 13 174.20 0.10 . 1 . . . . 149 ILE C . 6970 1 672 . 1 1 149 149 ILE CA C 13 60.60 0.20 . 1 . . . . 149 ILE CA . 6970 1 673 . 1 1 149 149 ILE CB C 13 37.00 0.20 . 1 . . . . 149 ILE CB . 6970 1 674 . 1 1 149 149 ILE CD1 C 13 16.30 0.28 . 1 . . . . 149 ILE CD1 . 6970 1 675 . 1 1 149 149 ILE N N 15 108.85 0.04 . 1 . . . . 149 ILE N . 6970 1 676 . 1 1 150 150 GLY H H 1 7.34 0.02 . 1 . . . . 150 GLY H . 6970 1 677 . 1 1 150 150 GLY C C 13 176.20 0.10 . 1 . . . . 150 GLY C . 6970 1 678 . 1 1 150 150 GLY CA C 13 46.50 0.20 . 1 . . . . 150 GLY CA . 6970 1 679 . 1 1 150 150 GLY N N 15 108.86 0.04 . 1 . . . . 150 GLY N . 6970 1 680 . 1 1 151 151 ALA H H 1 8.53 0.02 . 1 . . . . 151 ALA H . 6970 1 681 . 1 1 151 151 ALA C C 13 177.80 0.10 . 1 . . . . 151 ALA C . 6970 1 682 . 1 1 151 151 ALA CA C 13 51.90 0.20 . 1 . . . . 151 ALA CA . 6970 1 683 . 1 1 151 151 ALA CB C 13 19.10 0.20 . 1 . . . . 151 ALA CB . 6970 1 684 . 1 1 151 151 ALA N N 15 122.58 0.04 . 1 . . . . 151 ALA N . 6970 1 685 . 1 1 152 152 VAL H H 1 9.02 0.02 . 1 . . . . 152 VAL H . 6970 1 686 . 1 1 152 152 VAL C C 13 176.30 0.10 . 1 . . . . 152 VAL C . 6970 1 687 . 1 1 152 152 VAL CA C 13 64.20 0.20 . 1 . . . . 152 VAL CA . 6970 1 688 . 1 1 152 152 VAL CB C 13 32.10 0.20 . 1 . . . . 152 VAL CB . 6970 1 689 . 1 1 152 152 VAL CG1 C 13 21.60 0.28 . 2 . . . . 152 VAL CG1 . 6970 1 690 . 1 1 152 152 VAL CG2 C 13 21.60 0.28 . 2 . . . . 152 VAL CG2 . 6970 1 691 . 1 1 152 152 VAL N N 15 119.05 0.04 . 1 . . . . 152 VAL N . 6970 1 692 . 1 1 153 153 LYS H H 1 7.06 0.02 . 1 . . . . 153 LYS H . 6970 1 693 . 1 1 153 153 LYS C C 13 173.00 0.10 . 1 . . . . 153 LYS C . 6970 1 694 . 1 1 153 153 LYS CA C 13 54.30 0.20 . 1 . . . . 153 LYS CA . 6970 1 695 . 1 1 153 153 LYS CB C 13 37.40 0.20 . 1 . . . . 153 LYS CB . 6970 1 696 . 1 1 153 153 LYS CG C 13 25.10 0.28 . 1 . . . . 153 LYS CG . 6970 1 697 . 1 1 153 153 LYS CD C 13 28.20 0.28 . 1 . . . . 153 LYS CD . 6970 1 698 . 1 1 153 153 LYS N N 15 114.38 0.04 . 1 . . . . 153 LYS N . 6970 1 699 . 1 1 154 154 TYR H H 1 8.06 0.02 . 1 . . . . 154 TYR H . 6970 1 700 . 1 1 154 154 TYR C C 13 173.30 0.10 . 1 . . . . 154 TYR C . 6970 1 701 . 1 1 154 154 TYR CA C 13 55.40 0.20 . 1 . . . . 154 TYR CA . 6970 1 702 . 1 1 154 154 TYR CB C 13 40.80 0.20 . 1 . . . . 154 TYR CB . 6970 1 703 . 1 1 154 154 TYR N N 15 122.50 0.04 . 1 . . . . 154 TYR N . 6970 1 704 . 1 1 155 155 LEU H H 1 8.29 0.02 . 1 . . . . 155 LEU H . 6970 1 705 . 1 1 155 155 LEU C C 13 173.30 0.10 . 1 . . . . 155 LEU C . 6970 1 706 . 1 1 155 155 LEU CA C 13 52.70 0.20 . 1 . . . . 155 LEU CA . 6970 1 707 . 1 1 155 155 LEU CB C 13 46.80 0.20 . 1 . . . . 155 LEU CB . 6970 1 708 . 1 1 155 155 LEU N N 15 127.95 0.04 . 1 . . . . 155 LEU N . 6970 1 709 . 1 1 156 156 GLU H H 1 7.98 0.02 . 1 . . . . 156 GLU H . 6970 1 710 . 1 1 156 156 GLU C C 13 177.50 0.10 . 1 . . . . 156 GLU C . 6970 1 711 . 1 1 156 156 GLU CA C 13 53.30 0.20 . 1 . . . . 156 GLU CA . 6970 1 712 . 1 1 156 156 GLU CB C 13 32.90 0.20 . 1 . . . . 156 GLU CB . 6970 1 713 . 1 1 156 156 GLU N N 15 115.53 0.04 . 1 . . . . 156 GLU N . 6970 1 714 . 1 1 157 157 CYS H H 1 9.01 0.02 . 1 . . . . 157 CYS H . 6970 1 715 . 1 1 157 157 CYS C C 13 171.50 0.10 . 1 . . . . 157 CYS C . 6970 1 716 . 1 1 157 157 CYS CA C 13 56.10 0.20 . 1 . . . . 157 CYS CA . 6970 1 717 . 1 1 157 157 CYS CB C 13 32.00 0.20 . 1 . . . . 157 CYS CB . 6970 1 718 . 1 1 157 157 CYS N N 15 115.19 0.04 . 1 . . . . 157 CYS N . 6970 1 719 . 1 1 158 158 SER H H 1 8.36 0.02 . 1 . . . . 158 SER H . 6970 1 720 . 1 1 158 158 SER C C 13 175.90 0.10 . 1 . . . . 158 SER C . 6970 1 721 . 1 1 158 158 SER CA C 13 55.80 0.20 . 1 . . . . 158 SER CA . 6970 1 722 . 1 1 158 158 SER CB C 13 65.60 0.20 . 1 . . . . 158 SER CB . 6970 1 723 . 1 1 158 158 SER N N 15 111.14 0.04 . 1 . . . . 158 SER N . 6970 1 724 . 1 1 159 159 ALA H H 1 9.29 0.02 . 1 . . . . 159 ALA H . 6970 1 725 . 1 1 159 159 ALA C C 13 177.20 0.10 . 1 . . . . 159 ALA C . 6970 1 726 . 1 1 159 159 ALA CA C 13 54.60 0.20 . 1 . . . . 159 ALA CA . 6970 1 727 . 1 1 159 159 ALA CB C 13 19.50 0.20 . 1 . . . . 159 ALA CB . 6970 1 728 . 1 1 159 159 ALA N N 15 132.88 0.04 . 1 . . . . 159 ALA N . 6970 1 729 . 1 1 160 160 LEU H H 1 7.35 0.02 . 1 . . . . 160 LEU H . 6970 1 730 . 1 1 160 160 LEU C C 13 177.80 0.10 . 1 . . . . 160 LEU C . 6970 1 731 . 1 1 160 160 LEU CA C 13 57.70 0.20 . 1 . . . . 160 LEU CA . 6970 1 732 . 1 1 160 160 LEU CB C 13 43.20 0.20 . 1 . . . . 160 LEU CB . 6970 1 733 . 1 1 160 160 LEU CG C 13 25.60 0.28 . 1 . . . . 160 LEU CG . 6970 1 734 . 1 1 160 160 LEU CD1 C 13 23.00 0.28 . 2 . . . . 160 LEU CD1 . 6970 1 735 . 1 1 160 160 LEU CD2 C 13 23.00 0.28 . 2 . . . . 160 LEU CD2 . 6970 1 736 . 1 1 160 160 LEU N N 15 119.13 0.04 . 1 . . . . 160 LEU N . 6970 1 737 . 1 1 161 161 THR H H 1 8.02 0.02 . 1 . . . . 161 THR H . 6970 1 738 . 1 1 161 161 THR C C 13 176.00 0.10 . 1 . . . . 161 THR C . 6970 1 739 . 1 1 161 161 THR CA C 13 61.30 0.20 . 1 . . . . 161 THR CA . 6970 1 740 . 1 1 161 161 THR CB C 13 70.00 0.20 . 1 . . . . 161 THR CB . 6970 1 741 . 1 1 161 161 THR CG2 C 13 20.20 0.28 . 1 . . . . 161 THR CG2 . 6970 1 742 . 1 1 161 161 THR N N 15 106.43 0.04 . 1 . . . . 161 THR N . 6970 1 743 . 1 1 162 162 GLN H H 1 7.32 0.02 . 1 . . . . 162 GLN H . 6970 1 744 . 1 1 162 162 GLN C C 13 175.30 0.10 . 1 . . . . 162 GLN C . 6970 1 745 . 1 1 162 162 GLN CA C 13 59.10 0.20 . 1 . . . . 162 GLN CA . 6970 1 746 . 1 1 162 162 GLN CB C 13 25.70 0.20 . 1 . . . . 162 GLN CB . 6970 1 747 . 1 1 162 162 GLN CG C 13 34.50 0.28 . 1 . . . . 162 GLN CG . 6970 1 748 . 1 1 162 162 GLN N N 15 113.05 0.04 . 1 . . . . 162 GLN N . 6970 1 749 . 1 1 163 163 ARG H H 1 7.80 0.02 . 1 . . . . 163 ARG H . 6970 1 750 . 1 1 163 163 ARG C C 13 177.20 0.10 . 1 . . . . 163 ARG C . 6970 1 751 . 1 1 163 163 ARG CA C 13 57.80 0.20 . 1 . . . . 163 ARG CA . 6970 1 752 . 1 1 163 163 ARG CB C 13 29.70 0.20 . 1 . . . . 163 ARG CB . 6970 1 753 . 1 1 163 163 ARG CG C 13 26.80 0.28 . 1 . . . . 163 ARG CG . 6970 1 754 . 1 1 163 163 ARG CD C 13 40.20 0.28 . 1 . . . . 163 ARG CD . 6970 1 755 . 1 1 163 163 ARG N N 15 124.07 0.04 . 1 . . . . 163 ARG N . 6970 1 756 . 1 1 164 164 GLY H H 1 9.20 0.02 . 1 . . . . 164 GLY H . 6970 1 757 . 1 1 164 164 GLY C C 13 175.10 0.10 . 1 . . . . 164 GLY C . 6970 1 758 . 1 1 164 164 GLY CA C 13 46.20 0.20 . 1 . . . . 164 GLY CA . 6970 1 759 . 1 1 164 164 GLY N N 15 115.48 0.04 . 1 . . . . 164 GLY N . 6970 1 760 . 1 1 165 165 LEU H H 1 7.46 0.02 . 1 . . . . 165 LEU H . 6970 1 761 . 1 1 165 165 LEU C C 13 177.00 0.10 . 1 . . . . 165 LEU C . 6970 1 762 . 1 1 165 165 LEU CA C 13 58.70 0.20 . 1 . . . . 165 LEU CA . 6970 1 763 . 1 1 165 165 LEU CB C 13 43.60 0.20 . 1 . . . . 165 LEU CB . 6970 1 764 . 1 1 165 165 LEU CG C 13 27.10 0.28 . 1 . . . . 165 LEU CG . 6970 1 765 . 1 1 165 165 LEU CD1 C 13 25.50 0.28 . 2 . . . . 165 LEU CD1 . 6970 1 766 . 1 1 165 165 LEU CD2 C 13 25.50 0.28 . 2 . . . . 165 LEU CD2 . 6970 1 767 . 1 1 165 165 LEU N N 15 121.45 0.04 . 1 . . . . 165 LEU N . 6970 1 768 . 1 1 166 166 LYS H H 1 8.55 0.02 . 1 . . . . 166 LYS H . 6970 1 769 . 1 1 166 166 LYS C C 13 179.20 0.10 . 1 . . . . 166 LYS C . 6970 1 770 . 1 1 166 166 LYS CA C 13 60.50 0.20 . 1 . . . . 166 LYS CA . 6970 1 771 . 1 1 166 166 LYS CB C 13 32.10 0.20 . 1 . . . . 166 LYS CB . 6970 1 772 . 1 1 166 166 LYS CG C 13 25.60 0.28 . 1 . . . . 166 LYS CG . 6970 1 773 . 1 1 166 166 LYS CD C 13 32.00 0.28 . 1 . . . . 166 LYS CD . 6970 1 774 . 1 1 166 166 LYS N N 15 117.29 0.04 . 1 . . . . 166 LYS N . 6970 1 775 . 1 1 167 167 THR H H 1 7.72 0.02 . 1 . . . . 167 THR H . 6970 1 776 . 1 1 167 167 THR C C 13 174.60 0.10 . 1 . . . . 167 THR C . 6970 1 777 . 1 1 167 167 THR CA C 13 66.30 0.20 . 1 . . . . 167 THR CA . 6970 1 778 . 1 1 167 167 THR CB C 13 69.10 0.20 . 1 . . . . 167 THR CB . 6970 1 779 . 1 1 167 167 THR CG2 C 13 23.20 0.28 . 1 . . . . 167 THR CG2 . 6970 1 780 . 1 1 167 167 THR N N 15 113.90 0.04 . 1 . . . . 167 THR N . 6970 1 781 . 1 1 168 168 VAL H H 1 7.06 0.02 . 1 . . . . 168 VAL H . 6970 1 782 . 1 1 168 168 VAL C C 13 175.70 0.10 . 1 . . . . 168 VAL C . 6970 1 783 . 1 1 168 168 VAL CA C 13 66.50 0.20 . 1 . . . . 168 VAL CA . 6970 1 784 . 1 1 168 168 VAL CB C 13 31.10 0.20 . 1 . . . . 168 VAL CB . 6970 1 785 . 1 1 168 168 VAL CG1 C 13 22.10 0.28 . 2 . . . . 168 VAL CG1 . 6970 1 786 . 1 1 168 168 VAL CG2 C 13 22.10 0.28 . 2 . . . . 168 VAL CG2 . 6970 1 787 . 1 1 168 168 VAL N N 15 119.59 0.04 . 1 . . . . 168 VAL N . 6970 1 788 . 1 1 169 169 PHE H H 1 6.26 0.02 . 1 . . . . 169 PHE H . 6970 1 789 . 1 1 169 169 PHE CA C 13 61.90 0.20 . 1 . . . . 169 PHE CA . 6970 1 790 . 1 1 169 169 PHE CB C 13 38.90 0.20 . 1 . . . . 169 PHE CB . 6970 1 791 . 1 1 169 169 PHE N N 15 115.04 0.04 . 1 . . . . 169 PHE N . 6970 1 792 . 1 1 170 170 ASP C C 13 179.40 0.10 . 1 . . . . 170 ASP C . 6970 1 793 . 1 1 170 170 ASP CA C 13 57.70 0.20 . 1 . . . . 170 ASP CA . 6970 1 794 . 1 1 170 170 ASP CB C 13 40.60 0.20 . 1 . . . . 170 ASP CB . 6970 1 795 . 1 1 171 171 GLU H H 1 8.28 0.02 . 1 . . . . 171 GLU H . 6970 1 796 . 1 1 171 171 GLU C C 13 179.40 0.10 . 1 . . . . 171 GLU C . 6970 1 797 . 1 1 171 171 GLU CA C 13 58.10 0.20 . 1 . . . . 171 GLU CA . 6970 1 798 . 1 1 171 171 GLU CB C 13 27.90 0.20 . 1 . . . . 171 GLU CB . 6970 1 799 . 1 1 171 171 GLU CG C 13 36.10 0.28 . 1 . . . . 171 GLU CG . 6970 1 800 . 1 1 171 171 GLU N N 15 116.71 0.04 . 1 . . . . 171 GLU N . 6970 1 801 . 1 1 172 172 ALA H H 1 7.92 0.02 . 1 . . . . 172 ALA H . 6970 1 802 . 1 1 172 172 ALA C C 13 177.60 0.10 . 1 . . . . 172 ALA C . 6970 1 803 . 1 1 172 172 ALA CA C 13 55.60 0.20 . 1 . . . . 172 ALA CA . 6970 1 804 . 1 1 172 172 ALA CB C 13 16.90 0.20 . 1 . . . . 172 ALA CB . 6970 1 805 . 1 1 172 172 ALA N N 15 124.45 0.04 . 1 . . . . 172 ALA N . 6970 1 806 . 1 1 173 173 ILE H H 1 7.57 0.02 . 1 . . . . 173 ILE H . 6970 1 807 . 1 1 173 173 ILE C C 13 173.00 0.10 . 1 . . . . 173 ILE C . 6970 1 808 . 1 1 173 173 ILE CA C 13 65.60 0.20 . 1 . . . . 173 ILE CA . 6970 1 809 . 1 1 173 173 ILE CB C 13 37.90 0.20 . 1 . . . . 173 ILE CB . 6970 1 810 . 1 1 173 173 ILE CG2 C 13 21.50 0.28 . 1 . . . . 173 ILE CG2 . 6970 1 811 . 1 1 173 173 ILE N N 15 114.60 0.04 . 1 . . . . 173 ILE N . 6970 1 812 . 1 1 174 174 ARG H H 1 8.31 0.02 . 1 . . . . 174 ARG H . 6970 1 813 . 1 1 174 174 ARG C C 13 173.00 0.10 . 1 . . . . 174 ARG C . 6970 1 814 . 1 1 174 174 ARG CA C 13 60.10 0.20 . 1 . . . . 174 ARG CA . 6970 1 815 . 1 1 174 174 ARG CB C 13 29.90 0.20 . 1 . . . . 174 ARG CB . 6970 1 816 . 1 1 174 174 ARG CG C 13 28.90 0.28 . 1 . . . . 174 ARG CG . 6970 1 817 . 1 1 174 174 ARG CD C 13 43.50 0.28 . 1 . . . . 174 ARG CD . 6970 1 818 . 1 1 174 174 ARG N N 15 120.16 0.04 . 1 . . . . 174 ARG N . 6970 1 819 . 1 1 175 175 ALA H H 1 7.84 0.02 . 1 . . . . 175 ALA H . 6970 1 820 . 1 1 175 175 ALA C C 13 177.60 0.10 . 1 . . . . 175 ALA C . 6970 1 821 . 1 1 175 175 ALA CA C 13 54.00 0.20 . 1 . . . . 175 ALA CA . 6970 1 822 . 1 1 175 175 ALA CB C 13 17.70 0.20 . 1 . . . . 175 ALA CB . 6970 1 823 . 1 1 175 175 ALA N N 15 118.85 0.04 . 1 . . . . 175 ALA N . 6970 1 824 . 1 1 176 176 VAL H H 1 7.20 0.02 . 1 . . . . 176 VAL H . 6970 1 825 . 1 1 176 176 VAL C C 13 177.20 0.10 . 1 . . . . 176 VAL C . 6970 1 826 . 1 1 176 176 VAL CA C 13 64.00 0.20 . 1 . . . . 176 VAL CA . 6970 1 827 . 1 1 176 176 VAL CB C 13 32.90 0.20 . 1 . . . . 176 VAL CB . 6970 1 828 . 1 1 176 176 VAL CG1 C 13 22.50 0.28 . 2 . . . . 176 VAL CG1 . 6970 1 829 . 1 1 176 176 VAL CG2 C 13 22.50 0.28 . 2 . . . . 176 VAL CG2 . 6970 1 830 . 1 1 176 176 VAL N N 15 115.20 0.04 . 1 . . . . 176 VAL N . 6970 1 831 . 1 1 177 177 LEU H H 1 8.10 0.02 . 1 . . . . 177 LEU H . 6970 1 832 . 1 1 177 177 LEU C C 13 177.80 0.10 . 1 . . . . 177 LEU C . 6970 1 833 . 1 1 177 177 LEU CA C 13 56.20 0.20 . 1 . . . . 177 LEU CA . 6970 1 834 . 1 1 177 177 LEU CB C 13 42.20 0.20 . 1 . . . . 177 LEU CB . 6970 1 835 . 1 1 177 177 LEU CG C 13 26.00 0.28 . 1 . . . . 177 LEU CG . 6970 1 836 . 1 1 177 177 LEU CD1 C 13 22.40 0.28 . 2 . . . . 177 LEU CD1 . 6970 1 837 . 1 1 177 177 LEU CD2 C 13 22.40 0.28 . 2 . . . . 177 LEU CD2 . 6970 1 838 . 1 1 177 177 LEU N N 15 117.91 0.04 . 1 . . . . 177 LEU N . 6970 1 839 . 1 1 178 178 SER H H 1 8.11 0.02 . 1 . . . . 178 SER H . 6970 1 840 . 1 1 178 178 SER CA C 13 55.80 0.20 . 1 . . . . 178 SER CA . 6970 1 841 . 1 1 178 178 SER CB C 13 63.30 0.20 . 1 . . . . 178 SER CB . 6970 1 842 . 1 1 178 178 SER N N 15 114.75 0.04 . 1 . . . . 178 SER N . 6970 1 843 . 1 1 181 181 PRO C C 13 176.90 0.10 . 1 . . . . 181 PRO C . 6970 1 844 . 1 1 181 181 PRO CA C 13 62.80 0.20 . 1 . . . . 181 PRO CA . 6970 1 845 . 1 1 181 181 PRO CB C 13 31.90 0.20 . 1 . . . . 181 PRO CB . 6970 1 846 . 1 1 181 181 PRO CG C 13 27.40 0.28 . 1 . . . . 181 PRO CG . 6970 1 847 . 1 1 181 181 PRO CD C 13 50.50 0.28 . 1 . . . . 181 PRO CD . 6970 1 848 . 1 1 182 182 VAL H H 1 8.15 0.02 . 1 . . . . 182 VAL H . 6970 1 849 . 1 1 182 182 VAL C C 13 175.30 0.10 . 1 . . . . 182 VAL C . 6970 1 850 . 1 1 182 182 VAL CA C 13 62.70 0.20 . 1 . . . . 182 VAL CA . 6970 1 851 . 1 1 182 182 VAL CB C 13 32.60 0.20 . 1 . . . . 182 VAL CB . 6970 1 852 . 1 1 182 182 VAL CG1 C 13 20.90 0.28 . 2 . . . . 182 VAL CG1 . 6970 1 853 . 1 1 182 182 VAL CG2 C 13 20.90 0.28 . 2 . . . . 182 VAL CG2 . 6970 1 854 . 1 1 182 182 VAL N N 15 120.66 0.04 . 1 . . . . 182 VAL N . 6970 1 855 . 1 1 183 183 LYS H H 1 7.85 0.02 . 1 . . . . 183 LYS H . 6970 1 856 . 1 1 183 183 LYS CA C 13 57.60 0.20 . 1 . . . . 183 LYS CA . 6970 1 857 . 1 1 183 183 LYS CB C 13 37.70 0.20 . 1 . . . . 183 LYS CB . 6970 1 858 . 1 1 183 183 LYS N N 15 129.79 0.04 . 1 . . . . 183 LYS N . 6970 1 stop_ save_