data_16669 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16669 _Entry.Title ; GTPase RhoA GTPgS ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2010-01-07 _Entry.Accession_date 2010-01-07 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'RhoA-GTPgS chemical shifts assignments' _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 Genevieve Gasmi-Seabrook . . . 16669 2 Mitsu Ikura . . . 16669 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16669 spectral_peak_list 1 16669 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 313 16669 '15N chemical shifts' 117 16669 '1H chemical shifts' 118 16669 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 . . 2010-03-01 2009-01-07 update BMRB 'completed entry citation' 16669 1 . . 2010-02-16 2009-01-07 original author 'original release' 16669 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 16668 RhoA-GDP 16669 stop_ save_ ############### # Citations # ############### save_RhoA-GTPgS _Citation.Sf_category citations _Citation.Sf_framecode RhoA-GTPgS _Citation.Entry_ID 16669 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20018869 _Citation.Full_citation . _Citation.Title 'Real-time NMR study of guanine nucleotide exchange and activation of RhoA by PDZ-RhoGEF.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 285 _Citation.Journal_issue 8 _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 5137 _Citation.Page_last 5145 _Citation.Year 2010 _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 Genevieve Gasmi-Seabrook . M.C. . 16669 1 2 Christopher Marshall . B. . 16669 1 3 Melissa Cheung . . . 16669 1 4 Bryan Kim . . . 16669 1 5 Feng Wang . . . 16669 1 6 'Ying Ju' Jang . . . 16669 1 7 Tak Mak . W. . 16669 1 8 Vuk Stambolic . . . 16669 1 9 Mitsuhiko Ikura . . . 16669 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID GTPases 16669 1 NMR 16669 1 RhoA 16669 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16669 _Assembly.ID 1 _Assembly.Name 'RhoA GTPgS monomer' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 20.400 _Assembly.Enzyme_commission_number . _Assembly.Details 'RhoA GTPgS bound form' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 protein 1 $GTPase_RhoA A . yes native no no . . . 16669 1 2 nucleotide 2 $GTPgS B . no native no no . . . 16669 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID GTPase 16669 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_GTPase_RhoA _Entity.Sf_category entity _Entity.Sf_framecode GTPase_RhoA _Entity.Entry_ID 16669 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name GTPase_RhoA _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 ; MAAIRKKLVIVGDGACGKTC LLIVFSKDQFPEVYVPTVFE NYVADIEVDGKQVELALWDT AGQEDYDRLRPLSYPDTDVI LMCFSIDSPDSLENIPEKWT PEVKHFCPNVPIILVGNKKD LRNDEHTRRELAKMKQEPVK PEEGRDMANRIGAFGYMECS AKTKDGVREVFEMATRAALQ A ; _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 181 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 20.400 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16668 . GTPase_RhoA . . . . . 100.00 181 100.00 100.00 2.28e-130 . . . . 16669 1 2 no PDB 1A2B . "Human Rhoa Complexed With Gtp Analogue" . . . . . 100.00 182 99.45 99.45 3.12e-129 . . . . 16669 1 3 no PDB 1CC0 . "Crystal Structure Of The Rhoa.Gdp-Rhogdi Complex" . . . . . 100.00 190 99.45 99.45 7.61e-129 . . . . 16669 1 4 no PDB 1CXZ . "Crystal Structure Of Human Rhoa Complexed With The Effector Domain Of The Protein Kinase PknPRK1" . . . . . 100.00 182 99.45 99.45 3.12e-129 . . . . 16669 1 5 no PDB 1DPF . "Crystal Structure Of A Mg-Free Form Of Rhoa Complexed With Gdp" . . . . . 99.45 180 97.22 97.22 4.39e-125 . . . . 16669 1 6 no PDB 1FTN . "Crystal Structure Of The Human RhoaGDP COMPLEX" . . . . . 100.00 193 99.45 99.45 5.00e-129 . . . . 16669 1 7 no PDB 1KMQ . "Crystal Structure Of A Constitutively Activated Rhoa Mutant (Q63l)" . . . . . 99.45 184 97.78 98.33 1.47e-125 . . . . 16669 1 8 no PDB 1LB1 . "Crystal Structure Of The Dbl And Pleckstrin Homology Domains Of Dbs In Complex With Rhoa" . . . . . 100.00 192 100.00 100.00 1.61e-130 . . . . 16669 1 9 no PDB 1OW3 . "Crystal Structure Of Rhoa.gdp.mgf3-in Complex With Rhogap" . . . . . 100.00 193 99.45 99.45 5.00e-129 . . . . 16669 1 10 no PDB 1S1C . "Crystal Structure Of The Complex Between The Human Rhoa And Rho-Binding Domain Of Human Rocki" . . . . . 100.00 183 100.00 100.00 1.82e-130 . . . . 16669 1 11 no PDB 1TX4 . "RhoRHOGAPGDP(DOT)ALF4 COMPLEX" . . . . . 97.79 177 99.44 99.44 6.66e-126 . . . . 16669 1 12 no PDB 1X86 . "Crystal Structure Of The DhPH DOMAINS OF LEUKEMIA-Associated Rhogef In Complex With Rhoa" . . . . . 100.00 196 100.00 100.00 3.94e-130 . . . . 16669 1 13 no PDB 1XCG . "Crystal Structure Of Human Rhoa In Complex With DhPH Fragment Of Pdzrhogef" . . . . . 98.34 178 99.44 99.44 8.64e-127 . . . . 16669 1 14 no PDB 2RGN . "Crystal Structure Of P63rhogef Complex With Galpha-Q And Rhoa" . . . . . 100.00 196 100.00 100.00 3.94e-130 . . . . 16669 1 15 no PDB 3KZ1 . "Crystal Structure Of The Complex Of Pdz-Rhogef DhPH DOMAINS WITH GTP- Gamma-S Activated Rhoa" . . . . . 100.00 182 100.00 100.00 2.94e-130 . . . . 16669 1 16 no PDB 3LW8 . "Shigella Ipgb2 In Complex With Human Rhoa, Gdp And Mg2+ (Complex A)" . . . . . 99.45 185 100.00 100.00 2.50e-129 . . . . 16669 1 17 no PDB 3LWN . "Shigella Ipgb2 In Complex With Human Rhoa, Gdp And Mg2+ (Complex B)" . . . . . 99.45 185 100.00 100.00 2.50e-129 . . . . 16669 1 18 no PDB 3LXR . "Shigella Ipgb2 In Complex With Human Rhoa And Gdp (Complex C)" . . . . . 99.45 185 100.00 100.00 2.50e-129 . . . . 16669 1 19 no PDB 3MSX . "Crystal Structure Of Rhoa.Gdp.Mgf3 In Complex With Gap Domain Of Arhgap20" . . . . . 99.45 180 99.44 99.44 2.86e-128 . . . . 16669 1 20 no PDB 3T06 . "Crystal Structure Of The DhPH FRAGMENT OF PDZRHOGEF WITH N-Terminal Regulatory Elements In Complex With Human Rhoa" . . . . . 98.34 178 99.44 99.44 8.64e-127 . . . . 16669 1 21 no PDB 3TVD . "Crystal Structure Of Mouse Rhoa-gtp Complex" . . . . . 100.00 193 100.00 100.00 2.85e-130 . . . . 16669 1 22 no PDB 4D0N . "Akap13 (akap-lbc) Rhogef Domain In Complex With Rhoa" . . . . . 100.00 185 100.00 100.00 2.16e-130 . . . . 16669 1 23 no PDB 4F38 . "Crystal Structure Of Geranylgeranylated Rhoa In Complex With Rhogdi In Its Active Gppnhp-Bound Form" . . . . . 100.00 195 100.00 100.00 3.02e-130 . . . . 16669 1 24 no PDB 4XH9 . "Crystal Structure Of Human Rhoa In Complex With Dh/ph Fragment Of The Guanine Nucleotide Exchange Factor Net1" . . . . . 98.90 180 99.44 99.44 2.58e-127 . . . . 16669 1 25 no PDB 4XOI . "Structure Of Hsanillin Bound With Rhoa(q63l) At 2.1 Angstroms Resolution" . . . . . 99.45 180 98.89 98.89 3.99e-127 . . . . 16669 1 26 no PDB 4XSG . "The Complex Structure Of C3cer Exoenzyme And Gtp Bound Rhoa (nadh-free State)" . . . . . 98.90 179 99.44 99.44 2.31e-127 . . . . 16669 1 27 no PDB 4XSH . "The Complex Structure Of C3cer Exoenzyme And Gtp Bound Rhoa (nadh- Bound State)" . . . . . 98.90 179 99.44 99.44 2.31e-127 . . . . 16669 1 28 no PDB 5A0F . "Crystal Structure Of Yersinia Afp18-modified Rhoa" . . . . . 100.00 181 100.00 100.00 2.28e-130 . . . . 16669 1 29 no PDB 5BWM . "The Complex Structure Of C3cer Exoenzyme And Gdp Bound Rhoa (nadh- Bound State)" . . . . . 98.90 179 99.44 99.44 2.31e-127 . . . . 16669 1 30 no DBJ BAA20863 . "RhoA [Rattus norvegicus]" . . . . . 94.48 174 100.00 100.00 4.58e-123 . . . . 16669 1 31 no DBJ BAC36896 . "unnamed protein product [Mus musculus]" . . . . . 100.00 193 100.00 100.00 2.85e-130 . . . . 16669 1 32 no DBJ BAC38971 . "unnamed protein product [Mus musculus]" . . . . . 100.00 193 100.00 100.00 2.85e-130 . . . . 16669 1 33 no DBJ BAC99017 . "Raichu-1237X [synthetic construct]" . . . . . 100.00 777 100.00 100.00 1.69e-124 . . . . 16669 1 34 no DBJ BAD96276 . "ras homolog gene family, member A variant [Homo sapiens]" . . . . . 100.00 193 99.45 99.45 1.11e-129 . . . . 16669 1 35 no EMBL CAA28690 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 193 100.00 100.00 2.56e-130 . . . . 16669 1 36 no EMBL CAA39802 . "rho1 [Canis lupus familiaris]" . . . . . 100.00 193 99.45 99.45 1.73e-129 . . . . 16669 1 37 no EMBL CAC08447 . "RhoA GTPase [Gallus gallus]" . . . . . 100.00 193 100.00 100.00 2.76e-130 . . . . 16669 1 38 no EMBL CAC28868 . "rho GTPase, partial [Platichthys flesus]" . . . . . 70.17 127 98.43 100.00 9.64e-87 . . . . 16669 1 39 no EMBL CAE46190 . "hypothetical protein [Homo sapiens]" . . . . . 100.00 193 100.00 100.00 2.56e-130 . . . . 16669 1 40 no GB AAA30409 . "rho (Gb) protein [Bos taurus]" . . . . . 100.00 193 100.00 100.00 2.56e-130 . . . . 16669 1 41 no GB AAA50612 . "multidrug resistance protein, partial [Homo sapiens]" . . . . . 97.79 189 100.00 100.00 3.49e-127 . . . . 16669 1 42 no GB AAC18962 . "GTPase cRhoA [Gallus gallus]" . . . . . 100.00 193 100.00 100.00 2.76e-130 . . . . 16669 1 43 no GB AAC23710 . "Rho family GTPase [Mus musculus]" . . . . . 100.00 193 99.45 99.45 1.08e-128 . . . . 16669 1 44 no GB AAC33178 . "GTP-binding protein [Homo sapiens]" . . . . . 100.00 193 100.00 100.00 2.56e-130 . . . . 16669 1 45 no REF NP_001003273 . "transforming protein RhoA precursor [Canis lupus familiaris]" . . . . . 100.00 193 100.00 100.00 2.56e-130 . . . . 16669 1 46 no REF NP_001025020 . "rho-related GTP-binding protein RhoC precursor [Gallus gallus]" . . . . . 99.45 193 97.22 98.89 2.16e-126 . . . . 16669 1 47 no REF NP_001038815 . "transforming protein RhoA [Danio rerio]" . . . . . 100.00 193 97.79 98.34 7.48e-127 . . . . 16669 1 48 no REF NP_001079729 . "ras homolog family member A [Xenopus laevis]" . . . . . 100.00 193 97.79 98.90 5.42e-128 . . . . 16669 1 49 no REF NP_001080441 . "ras homolog family member A [Xenopus laevis]" . . . . . 100.00 193 97.24 98.34 4.67e-127 . . . . 16669 1 50 no SP P24406 . "RecName: Full=Transforming protein RhoA; AltName: Full=Rho1; Flags: Precursor" . . . . . 100.00 193 99.45 99.45 1.73e-129 . . . . 16669 1 51 no SP P61585 . "RecName: Full=Transforming protein RhoA; AltName: Full=Gb; AltName: Full=p21; Flags: Precursor" . . . . . 100.00 193 100.00 100.00 2.56e-130 . . . . 16669 1 52 no SP P61586 . "RecName: Full=Transforming protein RhoA; AltName: Full=Rho cDNA clone 12; Short=h12; Flags: Precursor" . . . . . 100.00 193 100.00 100.00 2.56e-130 . . . . 16669 1 53 no SP P61589 . "RecName: Full=Transforming protein RhoA; Flags: Precursor" . . . . . 100.00 193 100.00 100.00 2.85e-130 . . . . 16669 1 54 no SP Q5REY6 . "RecName: Full=Transforming protein RhoA; Flags: Precursor" . . . . . 100.00 193 100.00 100.00 2.56e-130 . . . . 16669 1 55 no TPG DAA16889 . "TPA: transforming protein RhoA precursor [Bos taurus]" . . . . . 100.00 193 100.00 100.00 2.56e-130 . . . . 16669 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID GTPase 16669 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 . 16669 1 2 . ALA . 16669 1 3 . ALA . 16669 1 4 . ILE . 16669 1 5 . ARG . 16669 1 6 . LYS . 16669 1 7 . LYS . 16669 1 8 . LEU . 16669 1 9 . VAL . 16669 1 10 . ILE . 16669 1 11 . VAL . 16669 1 12 . GLY . 16669 1 13 . ASP . 16669 1 14 . GLY . 16669 1 15 . ALA . 16669 1 16 . CYS . 16669 1 17 . GLY . 16669 1 18 . LYS . 16669 1 19 . THR . 16669 1 20 . CYS . 16669 1 21 . LEU . 16669 1 22 . LEU . 16669 1 23 . ILE . 16669 1 24 . VAL . 16669 1 25 . PHE . 16669 1 26 . SER . 16669 1 27 . LYS . 16669 1 28 . ASP . 16669 1 29 . GLN . 16669 1 30 . PHE . 16669 1 31 . PRO . 16669 1 32 . GLU . 16669 1 33 . VAL . 16669 1 34 . TYR . 16669 1 35 . VAL . 16669 1 36 . PRO . 16669 1 37 . THR . 16669 1 38 . VAL . 16669 1 39 . PHE . 16669 1 40 . GLU . 16669 1 41 . ASN . 16669 1 42 . TYR . 16669 1 43 . VAL . 16669 1 44 . ALA . 16669 1 45 . ASP . 16669 1 46 . ILE . 16669 1 47 . GLU . 16669 1 48 . VAL . 16669 1 49 . ASP . 16669 1 50 . GLY . 16669 1 51 . LYS . 16669 1 52 . GLN . 16669 1 53 . VAL . 16669 1 54 . GLU . 16669 1 55 . LEU . 16669 1 56 . ALA . 16669 1 57 . LEU . 16669 1 58 . TRP . 16669 1 59 . ASP . 16669 1 60 . THR . 16669 1 61 . ALA . 16669 1 62 . GLY . 16669 1 63 . GLN . 16669 1 64 . GLU . 16669 1 65 . ASP . 16669 1 66 . TYR . 16669 1 67 . ASP . 16669 1 68 . ARG . 16669 1 69 . LEU . 16669 1 70 . ARG . 16669 1 71 . PRO . 16669 1 72 . LEU . 16669 1 73 . SER . 16669 1 74 . TYR . 16669 1 75 . PRO . 16669 1 76 . ASP . 16669 1 77 . THR . 16669 1 78 . ASP . 16669 1 79 . VAL . 16669 1 80 . ILE . 16669 1 81 . LEU . 16669 1 82 . MET . 16669 1 83 . CYS . 16669 1 84 . PHE . 16669 1 85 . SER . 16669 1 86 . ILE . 16669 1 87 . ASP . 16669 1 88 . SER . 16669 1 89 . PRO . 16669 1 90 . ASP . 16669 1 91 . SER . 16669 1 92 . LEU . 16669 1 93 . GLU . 16669 1 94 . ASN . 16669 1 95 . ILE . 16669 1 96 . PRO . 16669 1 97 . GLU . 16669 1 98 . LYS . 16669 1 99 . TRP . 16669 1 100 . THR . 16669 1 101 . PRO . 16669 1 102 . GLU . 16669 1 103 . VAL . 16669 1 104 . LYS . 16669 1 105 . HIS . 16669 1 106 . PHE . 16669 1 107 . CYS . 16669 1 108 . PRO . 16669 1 109 . ASN . 16669 1 110 . VAL . 16669 1 111 . PRO . 16669 1 112 . ILE . 16669 1 113 . ILE . 16669 1 114 . LEU . 16669 1 115 . VAL . 16669 1 116 . GLY . 16669 1 117 . ASN . 16669 1 118 . LYS . 16669 1 119 . LYS . 16669 1 120 . ASP . 16669 1 121 . LEU . 16669 1 122 . ARG . 16669 1 123 . ASN . 16669 1 124 . ASP . 16669 1 125 . GLU . 16669 1 126 . HIS . 16669 1 127 . THR . 16669 1 128 . ARG . 16669 1 129 . ARG . 16669 1 130 . GLU . 16669 1 131 . LEU . 16669 1 132 . ALA . 16669 1 133 . LYS . 16669 1 134 . MET . 16669 1 135 . LYS . 16669 1 136 . GLN . 16669 1 137 . GLU . 16669 1 138 . PRO . 16669 1 139 . VAL . 16669 1 140 . LYS . 16669 1 141 . PRO . 16669 1 142 . GLU . 16669 1 143 . GLU . 16669 1 144 . GLY . 16669 1 145 . ARG . 16669 1 146 . ASP . 16669 1 147 . MET . 16669 1 148 . ALA . 16669 1 149 . ASN . 16669 1 150 . ARG . 16669 1 151 . ILE . 16669 1 152 . GLY . 16669 1 153 . ALA . 16669 1 154 . PHE . 16669 1 155 . GLY . 16669 1 156 . TYR . 16669 1 157 . MET . 16669 1 158 . GLU . 16669 1 159 . CYS . 16669 1 160 . SER . 16669 1 161 . ALA . 16669 1 162 . LYS . 16669 1 163 . THR . 16669 1 164 . LYS . 16669 1 165 . ASP . 16669 1 166 . GLY . 16669 1 167 . VAL . 16669 1 168 . ARG . 16669 1 169 . GLU . 16669 1 170 . VAL . 16669 1 171 . PHE . 16669 1 172 . GLU . 16669 1 173 . MET . 16669 1 174 . ALA . 16669 1 175 . THR . 16669 1 176 . ARG . 16669 1 177 . ALA . 16669 1 178 . ALA . 16669 1 179 . LEU . 16669 1 180 . GLN . 16669 1 181 . ALA . 16669 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 16669 1 . ALA 2 2 16669 1 . ALA 3 3 16669 1 . ILE 4 4 16669 1 . ARG 5 5 16669 1 . LYS 6 6 16669 1 . LYS 7 7 16669 1 . LEU 8 8 16669 1 . VAL 9 9 16669 1 . ILE 10 10 16669 1 . VAL 11 11 16669 1 . GLY 12 12 16669 1 . ASP 13 13 16669 1 . GLY 14 14 16669 1 . ALA 15 15 16669 1 . CYS 16 16 16669 1 . GLY 17 17 16669 1 . LYS 18 18 16669 1 . THR 19 19 16669 1 . CYS 20 20 16669 1 . LEU 21 21 16669 1 . LEU 22 22 16669 1 . ILE 23 23 16669 1 . VAL 24 24 16669 1 . PHE 25 25 16669 1 . SER 26 26 16669 1 . LYS 27 27 16669 1 . ASP 28 28 16669 1 . GLN 29 29 16669 1 . PHE 30 30 16669 1 . PRO 31 31 16669 1 . GLU 32 32 16669 1 . VAL 33 33 16669 1 . TYR 34 34 16669 1 . VAL 35 35 16669 1 . PRO 36 36 16669 1 . THR 37 37 16669 1 . VAL 38 38 16669 1 . PHE 39 39 16669 1 . GLU 40 40 16669 1 . ASN 41 41 16669 1 . TYR 42 42 16669 1 . VAL 43 43 16669 1 . ALA 44 44 16669 1 . ASP 45 45 16669 1 . ILE 46 46 16669 1 . GLU 47 47 16669 1 . VAL 48 48 16669 1 . ASP 49 49 16669 1 . GLY 50 50 16669 1 . LYS 51 51 16669 1 . GLN 52 52 16669 1 . VAL 53 53 16669 1 . GLU 54 54 16669 1 . LEU 55 55 16669 1 . ALA 56 56 16669 1 . LEU 57 57 16669 1 . TRP 58 58 16669 1 . ASP 59 59 16669 1 . THR 60 60 16669 1 . ALA 61 61 16669 1 . GLY 62 62 16669 1 . GLN 63 63 16669 1 . GLU 64 64 16669 1 . ASP 65 65 16669 1 . TYR 66 66 16669 1 . ASP 67 67 16669 1 . ARG 68 68 16669 1 . LEU 69 69 16669 1 . ARG 70 70 16669 1 . PRO 71 71 16669 1 . LEU 72 72 16669 1 . SER 73 73 16669 1 . TYR 74 74 16669 1 . PRO 75 75 16669 1 . ASP 76 76 16669 1 . THR 77 77 16669 1 . ASP 78 78 16669 1 . VAL 79 79 16669 1 . ILE 80 80 16669 1 . LEU 81 81 16669 1 . MET 82 82 16669 1 . CYS 83 83 16669 1 . PHE 84 84 16669 1 . SER 85 85 16669 1 . ILE 86 86 16669 1 . ASP 87 87 16669 1 . SER 88 88 16669 1 . PRO 89 89 16669 1 . ASP 90 90 16669 1 . SER 91 91 16669 1 . LEU 92 92 16669 1 . GLU 93 93 16669 1 . ASN 94 94 16669 1 . ILE 95 95 16669 1 . PRO 96 96 16669 1 . GLU 97 97 16669 1 . LYS 98 98 16669 1 . TRP 99 99 16669 1 . THR 100 100 16669 1 . PRO 101 101 16669 1 . GLU 102 102 16669 1 . VAL 103 103 16669 1 . LYS 104 104 16669 1 . HIS 105 105 16669 1 . PHE 106 106 16669 1 . CYS 107 107 16669 1 . PRO 108 108 16669 1 . ASN 109 109 16669 1 . VAL 110 110 16669 1 . PRO 111 111 16669 1 . ILE 112 112 16669 1 . ILE 113 113 16669 1 . LEU 114 114 16669 1 . VAL 115 115 16669 1 . GLY 116 116 16669 1 . ASN 117 117 16669 1 . LYS 118 118 16669 1 . LYS 119 119 16669 1 . ASP 120 120 16669 1 . LEU 121 121 16669 1 . ARG 122 122 16669 1 . ASN 123 123 16669 1 . ASP 124 124 16669 1 . GLU 125 125 16669 1 . HIS 126 126 16669 1 . THR 127 127 16669 1 . ARG 128 128 16669 1 . ARG 129 129 16669 1 . GLU 130 130 16669 1 . LEU 131 131 16669 1 . ALA 132 132 16669 1 . LYS 133 133 16669 1 . MET 134 134 16669 1 . LYS 135 135 16669 1 . GLN 136 136 16669 1 . GLU 137 137 16669 1 . PRO 138 138 16669 1 . VAL 139 139 16669 1 . LYS 140 140 16669 1 . PRO 141 141 16669 1 . GLU 142 142 16669 1 . GLU 143 143 16669 1 . GLY 144 144 16669 1 . ARG 145 145 16669 1 . ASP 146 146 16669 1 . MET 147 147 16669 1 . ALA 148 148 16669 1 . ASN 149 149 16669 1 . ARG 150 150 16669 1 . ILE 151 151 16669 1 . GLY 152 152 16669 1 . ALA 153 153 16669 1 . PHE 154 154 16669 1 . GLY 155 155 16669 1 . TYR 156 156 16669 1 . MET 157 157 16669 1 . GLU 158 158 16669 1 . CYS 159 159 16669 1 . SER 160 160 16669 1 . ALA 161 161 16669 1 . LYS 162 162 16669 1 . THR 163 163 16669 1 . LYS 164 164 16669 1 . ASP 165 165 16669 1 . GLY 166 166 16669 1 . VAL 167 167 16669 1 . ARG 168 168 16669 1 . GLU 169 169 16669 1 . VAL 170 170 16669 1 . PHE 171 171 16669 1 . GLU 172 172 16669 1 . MET 173 173 16669 1 . ALA 174 174 16669 1 . THR 175 175 16669 1 . ARG 176 176 16669 1 . ALA 177 177 16669 1 . ALA 178 178 16669 1 . LEU 179 179 16669 1 . GLN 180 180 16669 1 . ALA 181 181 16669 1 stop_ save_ save_GTPgS _Entity.Sf_category entity _Entity.Sf_framecode GTPgS _Entity.Entry_ID 16669 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name GTPgS _Entity.Type . _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label $chem_comp_GTPgS _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 . GTPgS . 16669 2 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 16669 _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 $GTPase_RhoA . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 16669 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 16669 _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 $GTPase_RhoA . 'purified from the natural source' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET28A . . . . . . 16669 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_GTPgS _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_GTPgS _Chem_comp.Entry_ID 16669 _Chem_comp.ID . _Chem_comp.Provenance . _Chem_comp.Name GTPgS _Chem_comp.Type . _Chem_comp.BMRB_code . _Chem_comp.PDB_code . _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge . _Chem_comp.Paramagnetic . _Chem_comp.Aromatic . _Chem_comp.Formula . _Chem_comp.Formula_weight . _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16669 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'GTPase RhoA' '[U-100% 13C; U-100% 15N]' . . 1 $GTPase_RhoA . . 0.3 . . mM . . . . 16669 1 2 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16669 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16669 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16669 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 16669 1 pH 7.0 . pH 16669 1 pressure 1 . atm 16669 1 temperature 293 . K 16669 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 16669 _Software.ID 1 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 16669 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16669 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16669 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16669 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16669 2 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 16669 _Software.ID 3 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16669 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16669 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16669 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16669 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16669 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 16669 1 2 spectrometer_2 Bruker Avance . 800 . . . 16669 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 16669 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16669 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16669 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16669 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16669 1 5 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16669 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16669 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16669 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 16669 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16669 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16669 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_assignments_RhoA _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assignments_RhoA _Assigned_chem_shift_list.Entry_ID 16669 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16669 1 2 '3D CBCA(CO)NH' . . . 16669 1 3 '3D HNCACB' . . . 16669 1 4 '3D HNCO' . . . 16669 1 5 '3D HN(CA)CO' . . . 16669 1 6 '3D 1H-15N NOESY' . . . 16669 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 H H 1 8.330 . . 1 . . . . 1 MET H . 16669 1 2 . 1 1 1 1 MET C C 13 175.470 . . 1 . . . . 1 MET C . 16669 1 3 . 1 1 1 1 MET CA C 13 55.510 . . 1 . . . . 1 MET CA . 16669 1 4 . 1 1 1 1 MET CB C 13 33.160 . . 1 . . . . 1 MET CB . 16669 1 5 . 1 1 1 1 MET N N 15 122.240 . . 1 . . . . 1 MET N . 16669 1 6 . 1 1 2 2 ALA H H 1 8.420 . . 1 . . . . 2 ALA HN . 16669 1 7 . 1 1 2 2 ALA C C 13 177.090 . . 1 . . . . 2 ALA C . 16669 1 8 . 1 1 2 2 ALA CA C 13 52.190 . . 1 . . . . 2 ALA CA . 16669 1 9 . 1 1 2 2 ALA CB C 13 19.280 . . 1 . . . . 2 ALA CB . 16669 1 10 . 1 1 2 2 ALA N N 15 125.440 . . 1 . . . . 2 ALA N . 16669 1 11 . 1 1 3 3 ALA H H 1 8.240 . . 1 . . . . 3 ALA HN . 16669 1 12 . 1 1 3 3 ALA C C 13 177.420 . . 1 . . . . 3 ALA C . 16669 1 13 . 1 1 3 3 ALA CA C 13 52.340 . . 1 . . . . 3 ALA CA . 16669 1 14 . 1 1 3 3 ALA CB C 13 19.700 . . 1 . . . . 3 ALA CB . 16669 1 15 . 1 1 3 3 ALA N N 15 123.590 . . 1 . . . . 3 ALA N . 16669 1 16 . 1 1 4 4 ILE H H 1 8.200 . . 1 . . . . 4 ILE HN . 16669 1 17 . 1 1 4 4 ILE C C 13 174.350 . . 1 . . . . 4 ILE C . 16669 1 18 . 1 1 4 4 ILE CA C 13 61.150 . . 1 . . . . 4 ILE CA . 16669 1 19 . 1 1 4 4 ILE CB C 13 39.650 . . 1 . . . . 4 ILE CB . 16669 1 20 . 1 1 4 4 ILE N N 15 121.910 . . 1 . . . . 4 ILE N . 16669 1 21 . 1 1 5 5 ARG H H 1 8.560 . . 1 . . . . 5 ARG HN . 16669 1 22 . 1 1 5 5 ARG CA C 13 55.220 . . 1 . . . . 5 ARG CA . 16669 1 23 . 1 1 5 5 ARG CB C 13 31.820 . . 1 . . . . 5 ARG CB . 16669 1 24 . 1 1 5 5 ARG N N 15 127.830 . . 1 . . . . 5 ARG N . 16669 1 25 . 1 1 6 6 LYS C C 13 173.700 . . 1 . . . . 6 LYS C . 16669 1 26 . 1 1 6 6 LYS CA C 13 52.330 . . 1 . . . . 6 LYS CA . 16669 1 27 . 1 1 6 6 LYS CB C 13 36.690 . . 1 . . . . 6 LYS CB . 16669 1 28 . 1 1 7 7 LYS H H 1 10.610 . . 1 . . . . 7 LYS HN . 16669 1 29 . 1 1 7 7 LYS C C 13 173.840 . . 1 . . . . 7 LYS C . 16669 1 30 . 1 1 7 7 LYS CA C 13 56.700 . . 1 . . . . 7 LYS CA . 16669 1 31 . 1 1 7 7 LYS N N 15 124.780 . . 1 . . . . 7 LYS N . 16669 1 32 . 1 1 8 8 LEU H H 1 9.510 . . 1 . . . . 8 LEU HN . 16669 1 33 . 1 1 8 8 LEU C C 13 174.430 . . 1 . . . . 8 LEU C . 16669 1 34 . 1 1 8 8 LEU CA C 13 53.600 . . 1 . . . . 8 LEU CA . 16669 1 35 . 1 1 8 8 LEU CB C 13 45.990 . . 1 . . . . 8 LEU CB . 16669 1 36 . 1 1 8 8 LEU N N 15 134.000 . . 1 . . . . 8 LEU N . 16669 1 37 . 1 1 9 9 VAL H H 1 8.110 . . 1 . . . . 9 VAL HN . 16669 1 38 . 1 1 9 9 VAL CA C 13 60.860 . . 1 . . . . 9 VAL CA . 16669 1 39 . 1 1 9 9 VAL CB C 13 34.860 . . 1 . . . . 9 VAL CB . 16669 1 40 . 1 1 9 9 VAL N N 15 125.750 . . 1 . . . . 9 VAL N . 16669 1 41 . 1 1 10 10 ILE H H 1 8.230 . . 1 . . . . 10 ILE HN . 16669 1 42 . 1 1 10 10 ILE N N 15 127.080 . . 1 . . . . 10 ILE N . 16669 1 43 . 1 1 11 11 VAL H H 1 8.680 . . 1 . . . . 11 VAL HN . 16669 1 44 . 1 1 11 11 VAL N N 15 117.430 . . 1 . . . . 11 VAL N . 16669 1 45 . 1 1 14 14 GLY H H 1 8.670 . . 1 . . . . 14 GLY HN . 16669 1 46 . 1 1 14 14 GLY N N 15 106.690 . . 1 . . . . 14 GLY N . 16669 1 47 . 1 1 16 16 CYS H H 1 7.970 . . 1 . . . . 16 CYS HN . 16669 1 48 . 1 1 16 16 CYS C C 13 173.550 . . 1 . . . . 16 CYS C . 16669 1 49 . 1 1 16 16 CYS N N 15 115.600 . . 1 . . . . 16 CYS N . 16669 1 50 . 1 1 17 17 GLY H H 1 8.030 . . 1 . . . . 17 GLY HN . 16669 1 51 . 1 1 17 17 GLY N N 15 109.410 . . 1 . . . . 17 GLY N . 16669 1 52 . 1 1 26 26 SER H H 1 8.130 . . 1 . . . . 26 SER HN . 16669 1 53 . 1 1 26 26 SER N N 15 111.150 . . 1 . . . . 26 SER N . 16669 1 54 . 1 1 27 27 LYS H H 1 8.740 . . 1 . . . . 27 LYS HN . 16669 1 55 . 1 1 27 27 LYS N N 15 119.520 . . 1 . . . . 27 LYS N . 16669 1 56 . 1 1 28 28 ASP H H 1 7.790 . . 1 . . . . 28 ASP HN . 16669 1 57 . 1 1 28 28 ASP C C 13 174.690 . . 1 . . . . 28 ASP C . 16669 1 58 . 1 1 28 28 ASP CA C 13 55.440 . . 1 . . . . 28 ASP CA . 16669 1 59 . 1 1 28 28 ASP CB C 13 40.420 . . 1 . . . . 28 ASP CB . 16669 1 60 . 1 1 28 28 ASP N N 15 119.140 . . 1 . . . . 28 ASP N . 16669 1 61 . 1 1 29 29 GLN H H 1 6.660 . . 1 . . . . 29 GLN HN . 16669 1 62 . 1 1 29 29 GLN CA C 13 54.000 . . 1 . . . . 29 GLN CA . 16669 1 63 . 1 1 29 29 GLN N N 15 114.000 . . 1 . . . . 29 GLN N . 16669 1 64 . 1 1 46 46 ILE C C 13 171.160 . . 1 . . . . 46 ILE C . 16669 1 65 . 1 1 47 47 GLU H H 1 8.100 . . 1 . . . . 47 GLU HN . 16669 1 66 . 1 1 47 47 GLU C C 13 175.980 . . 1 . . . . 47 GLU C . 16669 1 67 . 1 1 47 47 GLU CA C 13 54.170 . . 1 . . . . 47 GLU CA . 16669 1 68 . 1 1 47 47 GLU CB C 13 31.400 . . 1 . . . . 47 GLU CB . 16669 1 69 . 1 1 47 47 GLU N N 15 127.080 . . 1 . . . . 47 GLU N . 16669 1 70 . 1 1 48 48 VAL H H 1 8.590 . . 1 . . . . 48 VAL HN . 16669 1 71 . 1 1 48 48 VAL C C 13 174.460 . . 1 . . . . 48 VAL C . 16669 1 72 . 1 1 48 48 VAL CA C 13 60.440 . . 1 . . . . 48 VAL CA . 16669 1 73 . 1 1 48 48 VAL CB C 13 35.630 . . 1 . . . . 48 VAL CB . 16669 1 74 . 1 1 48 48 VAL N N 15 123.880 . . 1 . . . . 48 VAL N . 16669 1 75 . 1 1 49 49 ASP H H 1 9.270 . . 1 . . . . 49 ASP HN . 16669 1 76 . 1 1 49 49 ASP C C 13 175.980 . . 1 . . . . 49 ASP C . 16669 1 77 . 1 1 49 49 ASP CA C 13 55.510 . . 1 . . . . 49 ASP CA . 16669 1 78 . 1 1 49 49 ASP CB C 13 39.010 . . 1 . . . . 49 ASP CB . 16669 1 79 . 1 1 49 49 ASP N N 15 125.480 . . 1 . . . . 49 ASP N . 16669 1 80 . 1 1 50 50 GLY H H 1 8.790 . . 1 . . . . 50 GLY HN . 16669 1 81 . 1 1 50 50 GLY C C 13 174.070 . . 1 . . . . 50 GLY C . 16669 1 82 . 1 1 50 50 GLY CA C 13 45.430 . . 1 . . . . 50 GLY CA . 16669 1 83 . 1 1 50 50 GLY N N 15 103.700 . . 1 . . . . 50 GLY N . 16669 1 84 . 1 1 51 51 LYS H H 1 8.180 . . 1 . . . . 51 LYS HN . 16669 1 85 . 1 1 51 51 LYS C C 13 174.570 . . 1 . . . . 51 LYS C . 16669 1 86 . 1 1 51 51 LYS CA C 13 54.660 . . 1 . . . . 51 LYS CA . 16669 1 87 . 1 1 51 51 LYS CB C 13 33.800 . . 1 . . . . 51 LYS CB . 16669 1 88 . 1 1 51 51 LYS N N 15 121.740 . . 1 . . . . 51 LYS N . 16669 1 89 . 1 1 52 52 GLN H H 1 8.280 . . 1 . . . . 52 GLN HN . 16669 1 90 . 1 1 52 52 GLN C C 13 175.020 . . 1 . . . . 52 GLN C . 16669 1 91 . 1 1 52 52 GLN CA C 13 55.510 . . 1 . . . . 52 GLN CA . 16669 1 92 . 1 1 52 52 GLN CB C 13 28.650 . . 1 . . . . 52 GLN CB . 16669 1 93 . 1 1 52 52 GLN N N 15 122.390 . . 1 . . . . 52 GLN N . 16669 1 94 . 1 1 53 53 VAL H H 1 9.150 . . 1 . . . . 53 VAL HN . 16669 1 95 . 1 1 53 53 VAL CA C 13 60.650 . . 1 . . . . 53 VAL CA . 16669 1 96 . 1 1 53 53 VAL CB C 13 35.070 . . 1 . . . . 53 VAL CB . 16669 1 97 . 1 1 53 53 VAL N N 15 126.930 . . 1 . . . . 53 VAL N . 16669 1 98 . 1 1 68 68 ARG C C 13 176.370 . . 1 . . . . 68 ARG C . 16669 1 99 . 1 1 68 68 ARG CA C 13 58.890 . . 1 . . . . 68 ARG CA . 16669 1 100 . 1 1 68 68 ARG CB C 13 29.150 . . 1 . . . . 68 ARG CB . 16669 1 101 . 1 1 69 69 LEU H H 1 7.410 . . 1 . . . . 69 LEU HN . 16669 1 102 . 1 1 69 69 LEU CA C 13 60.930 . . 1 . . . . 69 LEU CA . 16669 1 103 . 1 1 69 69 LEU CB C 13 42.400 . . 1 . . . . 69 LEU CB . 16669 1 104 . 1 1 69 69 LEU N N 15 113.320 . . 1 . . . . 69 LEU N . 16669 1 105 . 1 1 72 72 LEU H H 1 7.400 . . 1 . . . . 72 LEU HN . 16669 1 106 . 1 1 72 72 LEU C C 13 178.750 . . 1 . . . . 72 LEU C . 16669 1 107 . 1 1 72 72 LEU N N 15 116.990 . . 1 . . . . 72 LEU N . 16669 1 108 . 1 1 73 73 SER H H 1 8.090 . . 1 . . . . 73 SER HN . 16669 1 109 . 1 1 73 73 SER C C 13 174.690 . . 1 . . . . 73 SER C . 16669 1 110 . 1 1 73 73 SER N N 15 112.050 . . 1 . . . . 73 SER N . 16669 1 111 . 1 1 74 74 TYR H H 1 6.720 . . 1 . . . . 74 TYR HN . 16669 1 112 . 1 1 74 74 TYR N N 15 119.680 . . 1 . . . . 74 TYR N . 16669 1 113 . 1 1 75 75 PRO C C 13 175.610 . . 1 . . . . 75 PRO C . 16669 1 114 . 1 1 75 75 PRO CA C 13 66.290 . . 1 . . . . 75 PRO CA . 16669 1 115 . 1 1 76 76 ASP H H 1 8.910 . . 1 . . . . 76 ASP HN . 16669 1 116 . 1 1 76 76 ASP CB C 13 39.150 . . 1 . . . . 76 ASP CB . 16669 1 117 . 1 1 76 76 ASP N N 15 117.410 . . 1 . . . . 76 ASP N . 16669 1 118 . 1 1 77 77 THR H H 1 7.440 . . 1 . . . . 77 THR HN . 16669 1 119 . 1 1 77 77 THR N N 15 116.530 . . 1 . . . . 77 THR N . 16669 1 120 . 1 1 78 78 ASP H H 1 8.950 . . 1 . . . . 78 ASP HN . 16669 1 121 . 1 1 78 78 ASP N N 15 122.500 . . 1 . . . . 78 ASP N . 16669 1 122 . 1 1 79 79 VAL H H 1 7.840 . . 1 . . . . 79 VAL HN . 16669 1 123 . 1 1 79 79 VAL N N 15 116.600 . . 1 . . . . 79 VAL N . 16669 1 124 . 1 1 80 80 ILE C C 13 175.650 . . 1 . . . . 80 ILE C . 16669 1 125 . 1 1 80 80 ILE CA C 13 57.410 . . 1 . . . . 80 ILE CA . 16669 1 126 . 1 1 80 80 ILE CB C 13 40.780 . . 1 . . . . 80 ILE CB . 16669 1 127 . 1 1 81 81 LEU H H 1 8.820 . . 1 . . . . 81 LEU HN . 16669 1 128 . 1 1 81 81 LEU N N 15 126.140 . . 1 . . . . 81 LEU N . 16669 1 129 . 1 1 84 84 PHE C C 13 172.140 . . 1 . . . . 84 PHE C . 16669 1 130 . 1 1 84 84 PHE CA C 13 56.140 . . 1 . . . . 84 PHE CA . 16669 1 131 . 1 1 84 84 PHE CB C 13 39.860 . . 1 . . . . 84 PHE CB . 16669 1 132 . 1 1 85 85 SER H H 1 9.370 . . 1 . . . . 85 SER HN . 16669 1 133 . 1 1 85 85 SER N N 15 113.480 . . 1 . . . . 85 SER N . 16669 1 134 . 1 1 86 86 ILE C C 13 175.050 . . 1 . . . . 86 ILE C . 16669 1 135 . 1 1 86 86 ILE CA C 13 64.530 . . 1 . . . . 86 ILE CA . 16669 1 136 . 1 1 87 87 ASP H H 1 8.150 . . 1 . . . . 87 ASP HN . 16669 1 137 . 1 1 87 87 ASP C C 13 174.070 . . 1 . . . . 87 ASP C . 16669 1 138 . 1 1 87 87 ASP CA C 13 53.180 . . 1 . . . . 87 ASP CA . 16669 1 139 . 1 1 87 87 ASP CB C 13 41.830 . . 1 . . . . 87 ASP CB . 16669 1 140 . 1 1 87 87 ASP N N 15 115.280 . . 1 . . . . 87 ASP N . 16669 1 141 . 1 1 88 88 SER H H 1 7.920 . . 1 . . . . 88 SER HN . 16669 1 142 . 1 1 88 88 SER CA C 13 53.390 . . 1 . . . . 88 SER CA . 16669 1 143 . 1 1 88 88 SER CB C 13 62.980 . . 1 . . . . 88 SER CB . 16669 1 144 . 1 1 88 88 SER N N 15 110.130 . . 1 . . . . 88 SER N . 16669 1 145 . 1 1 89 89 PRO C C 13 178.870 . . 1 . . . . 89 PRO C . 16669 1 146 . 1 1 89 89 PRO CA C 13 65.730 . . 1 . . . . 89 PRO CA . 16669 1 147 . 1 1 89 89 PRO CB C 13 31.900 . . 1 . . . . 89 PRO CB . 16669 1 148 . 1 1 90 90 ASP H H 1 9.080 . . 1 . . . . 90 ASP HN . 16669 1 149 . 1 1 90 90 ASP C C 13 178.020 . . 1 . . . . 90 ASP C . 16669 1 150 . 1 1 90 90 ASP CA C 13 57.690 . . 1 . . . . 90 ASP CA . 16669 1 151 . 1 1 90 90 ASP CB C 13 40.140 . . 1 . . . . 90 ASP CB . 16669 1 152 . 1 1 90 90 ASP N N 15 118.770 . . 1 . . . . 90 ASP N . 16669 1 153 . 1 1 91 91 SER H H 1 8.360 . . 1 . . . . 91 SER HN . 16669 1 154 . 1 1 91 91 SER C C 13 177.090 . . 1 . . . . 91 SER C . 16669 1 155 . 1 1 91 91 SER CA C 13 61.570 . . 1 . . . . 91 SER CA . 16669 1 156 . 1 1 91 91 SER CB C 13 63.540 . . 1 . . . . 91 SER CB . 16669 1 157 . 1 1 91 91 SER N N 15 117.450 . . 1 . . . . 91 SER N . 16669 1 158 . 1 1 92 92 LEU H H 1 7.160 . . 1 . . . . 92 LEU HN . 16669 1 159 . 1 1 92 92 LEU C C 13 179.040 . . 1 . . . . 92 LEU C . 16669 1 160 . 1 1 92 92 LEU CA C 13 56.990 . . 1 . . . . 92 LEU CA . 16669 1 161 . 1 1 92 92 LEU CB C 13 40.560 . . 1 . . . . 92 LEU CB . 16669 1 162 . 1 1 92 92 LEU N N 15 124.560 . . 1 . . . . 92 LEU N . 16669 1 163 . 1 1 93 93 GLU H H 1 7.830 . . 1 . . . . 93 GLU HN . 16669 1 164 . 1 1 93 93 GLU C C 13 178.440 . . 1 . . . . 93 GLU C . 16669 1 165 . 1 1 93 93 GLU CA C 13 58.960 . . 1 . . . . 93 GLU CA . 16669 1 166 . 1 1 93 93 GLU CB C 13 28.650 . . 1 . . . . 93 GLU CB . 16669 1 167 . 1 1 93 93 GLU N N 15 119.810 . . 1 . . . . 93 GLU N . 16669 1 168 . 1 1 94 94 ASN H H 1 7.570 . . 1 . . . . 94 ASN HN . 16669 1 169 . 1 1 94 94 ASN CA C 13 53.890 . . 1 . . . . 94 ASN CA . 16669 1 170 . 1 1 94 94 ASN CB C 13 38.880 . . 1 . . . . 94 ASN CB . 16669 1 171 . 1 1 94 94 ASN N N 15 113.200 . . 1 . . . . 94 ASN N . 16669 1 172 . 1 1 95 95 ILE H H 1 8.420 . . 1 . . . . 95 ILE HN . 16669 1 173 . 1 1 95 95 ILE N N 15 123.670 . . 1 . . . . 95 ILE N . 16669 1 174 . 1 1 96 96 PRO C C 13 176.910 . . 1 . . . . 96 PRO C . 16669 1 175 . 1 1 96 96 PRO CA C 13 65.090 . . 1 . . . . 96 PRO CA . 16669 1 176 . 1 1 96 96 PRO CB C 13 31.050 . . 1 . . . . 96 PRO CB . 16669 1 177 . 1 1 97 97 GLU H H 1 6.530 . . 1 . . . . 97 GLU HN . 16669 1 178 . 1 1 97 97 GLU C C 13 175.610 . . 1 . . . . 97 GLU C . 16669 1 179 . 1 1 97 97 GLU CA C 13 57.620 . . 1 . . . . 97 GLU CA . 16669 1 180 . 1 1 97 97 GLU CB C 13 31.190 . . 1 . . . . 97 GLU CB . 16669 1 181 . 1 1 97 97 GLU N N 15 115.660 . . 1 . . . . 97 GLU N . 16669 1 182 . 1 1 98 98 LYS H H 1 7.900 . . 1 . . . . 98 LYS HN . 16669 1 183 . 1 1 98 98 LYS C C 13 177.700 . . 1 . . . . 98 LYS C . 16669 1 184 . 1 1 98 98 LYS CA C 13 57.270 . . 1 . . . . 98 LYS CA . 16669 1 185 . 1 1 98 98 LYS CB C 13 34.930 . . 1 . . . . 98 LYS CB . 16669 1 186 . 1 1 98 98 LYS N N 15 116.570 . . 1 . . . . 98 LYS N . 16669 1 187 . 1 1 99 99 TRP H H 1 7.530 . . 1 . . . . 99 TRP HN . 16669 1 188 . 1 1 99 99 TRP C C 13 177.480 . . 1 . . . . 99 TRP C . 16669 1 189 . 1 1 99 99 TRP CA C 13 60.370 . . 1 . . . . 99 TRP CA . 16669 1 190 . 1 1 99 99 TRP CB C 13 29.920 . . 1 . . . . 99 TRP CB . 16669 1 191 . 1 1 99 99 TRP N N 15 120.590 . . 1 . . . . 99 TRP N . 16669 1 192 . 1 1 100 100 THR H H 1 8.980 . . 1 . . . . 100 THR HN . 16669 1 193 . 1 1 100 100 THR N N 15 114.780 . . 1 . . . . 100 THR N . 16669 1 194 . 1 1 101 101 PRO C C 13 178.050 . . 1 . . . . 101 PRO C . 16669 1 195 . 1 1 101 101 PRO CA C 13 65.870 . . 1 . . . . 101 PRO CA . 16669 1 196 . 1 1 101 101 PRO CB C 13 31.050 . . 1 . . . . 101 PRO CB . 16669 1 197 . 1 1 102 102 GLU H H 1 6.980 . . 1 . . . . 102 GLU HN . 16669 1 198 . 1 1 102 102 GLU C C 13 178.050 . . 1 . . . . 102 GLU C . 16669 1 199 . 1 1 102 102 GLU CA C 13 60.720 . . 1 . . . . 102 GLU CA . 16669 1 200 . 1 1 102 102 GLU CB C 13 30.130 . . 1 . . . . 102 GLU CB . 16669 1 201 . 1 1 102 102 GLU N N 15 116.690 . . 1 . . . . 102 GLU N . 16669 1 202 . 1 1 103 103 VAL H H 1 8.560 . . 1 . . . . 103 VAL HN . 16669 1 203 . 1 1 103 103 VAL C C 13 178.130 . . 1 . . . . 103 VAL C . 16669 1 204 . 1 1 103 103 VAL CA C 13 66.850 . . 1 . . . . 103 VAL CA . 16669 1 205 . 1 1 103 103 VAL CB C 13 31.610 . . 1 . . . . 103 VAL CB . 16669 1 206 . 1 1 103 103 VAL N N 15 116.450 . . 1 . . . . 103 VAL N . 16669 1 207 . 1 1 104 104 LYS H H 1 8.720 . . 1 . . . . 104 LYS HN . 16669 1 208 . 1 1 104 104 LYS CA C 13 58.540 . . 1 . . . . 104 LYS CA . 16669 1 209 . 1 1 104 104 LYS N N 15 117.140 . . 1 . . . . 104 LYS N . 16669 1 210 . 1 1 105 105 HIS H H 1 7.420 . . 1 . . . . 105 HIS HN . 16669 1 211 . 1 1 105 105 HIS N N 15 115.930 . . 1 . . . . 105 HIS N . 16669 1 212 . 1 1 106 106 PHE H H 1 7.430 . . 1 . . . . 106 PHE HN . 16669 1 213 . 1 1 106 106 PHE C C 13 177.820 . . 1 . . . . 106 PHE C . 16669 1 214 . 1 1 106 106 PHE CA C 13 55.580 . . 1 . . . . 106 PHE CA . 16669 1 215 . 1 1 106 106 PHE CB C 13 39.370 . . 1 . . . . 106 PHE CB . 16669 1 216 . 1 1 106 106 PHE N N 15 113.390 . . 1 . . . . 106 PHE N . 16669 1 217 . 1 1 107 107 CYS H H 1 7.430 . . 1 . . . . 107 CYS HN . 16669 1 218 . 1 1 107 107 CYS CA C 13 58.750 . . 1 . . . . 107 CYS CA . 16669 1 219 . 1 1 107 107 CYS CB C 13 29.000 . . 1 . . . . 107 CYS CB . 16669 1 220 . 1 1 107 107 CYS N N 15 116.560 . . 1 . . . . 107 CYS N . 16669 1 221 . 1 1 108 108 PRO C C 13 177.530 . . 1 . . . . 108 PRO C . 16669 1 222 . 1 1 108 108 PRO CA C 13 64.950 . . 1 . . . . 108 PRO CA . 16669 1 223 . 1 1 108 108 PRO CB C 13 31.610 . . 1 . . . . 108 PRO CB . 16669 1 224 . 1 1 109 109 ASN H H 1 8.800 . . 1 . . . . 109 ASN HN . 16669 1 225 . 1 1 109 109 ASN C C 13 174.450 . . 1 . . . . 109 ASN C . 16669 1 226 . 1 1 109 109 ASN CA C 13 53.900 . . 1 . . . . 109 ASN CA . 16669 1 227 . 1 1 109 109 ASN CB C 13 38.450 . . 1 . . . . 109 ASN CB . 16669 1 228 . 1 1 109 109 ASN N N 15 113.750 . . 1 . . . . 109 ASN N . 16669 1 229 . 1 1 110 110 VAL H H 1 7.060 . . 1 . . . . 110 VAL HN . 16669 1 230 . 1 1 110 110 VAL CA C 13 60.230 . . 1 . . . . 110 VAL CA . 16669 1 231 . 1 1 110 110 VAL CB C 13 33.300 . . 1 . . . . 110 VAL CB . 16669 1 232 . 1 1 110 110 VAL N N 15 121.980 . . 1 . . . . 110 VAL N . 16669 1 233 . 1 1 111 111 PRO CA C 13 63.120 . . 1 . . . . 111 PRO CA . 16669 1 234 . 1 1 111 111 PRO CB C 13 32.390 . . 1 . . . . 111 PRO CB . 16669 1 235 . 1 1 112 112 ILE H H 1 8.280 . . 1 . . . . 112 ILE HN . 16669 1 236 . 1 1 112 112 ILE C C 13 175.750 . . 1 . . . . 112 ILE C . 16669 1 237 . 1 1 112 112 ILE CA C 13 54.850 . . 1 . . . . 112 ILE CA . 16669 1 238 . 1 1 112 112 ILE CB C 13 42.610 . . 1 . . . . 112 ILE CB . 16669 1 239 . 1 1 112 112 ILE N N 15 119.970 . . 1 . . . . 112 ILE N . 16669 1 240 . 1 1 113 113 ILE H H 1 9.170 . . 1 . . . . 113 ILE HN . 16669 1 241 . 1 1 113 113 ILE C C 13 174.480 . . 1 . . . . 113 ILE C . 16669 1 242 . 1 1 113 113 ILE CA C 13 59.450 . . 1 . . . . 113 ILE CA . 16669 1 243 . 1 1 113 113 ILE CB C 13 37.950 . . 1 . . . . 113 ILE CB . 16669 1 244 . 1 1 113 113 ILE N N 15 127.680 . . 1 . . . . 113 ILE N . 16669 1 245 . 1 1 114 114 LEU H H 1 8.420 . . 1 . . . . 114 LEU HN . 16669 1 246 . 1 1 114 114 LEU C C 13 173.560 . . 1 . . . . 114 LEU C . 16669 1 247 . 1 1 114 114 LEU CA C 13 53.880 . . 1 . . . . 114 LEU CA . 16669 1 248 . 1 1 114 114 LEU CB C 13 43.740 . . 1 . . . . 114 LEU CB . 16669 1 249 . 1 1 114 114 LEU N N 15 130.470 . . 1 . . . . 114 LEU N . 16669 1 250 . 1 1 115 115 VAL H H 1 9.160 . . 1 . . . . 115 VAL HN . 16669 1 251 . 1 1 115 115 VAL C C 13 174.200 . . 1 . . . . 115 VAL C . 16669 1 252 . 1 1 115 115 VAL CA C 13 60.580 . . 1 . . . . 115 VAL CA . 16669 1 253 . 1 1 115 115 VAL N N 15 128.400 . . 1 . . . . 115 VAL N . 16669 1 254 . 1 1 116 116 GLY H H 1 8.460 . . 1 . . . . 116 GLY HN . 16669 1 255 . 1 1 116 116 GLY CA C 13 45.150 . . 1 . . . . 116 GLY CA . 16669 1 256 . 1 1 116 116 GLY N N 15 111.960 . . 1 . . . . 116 GLY N . 16669 1 257 . 1 1 118 118 LYS C C 13 178.730 . . 1 . . . . 118 LYS C . 16669 1 258 . 1 1 118 118 LYS CB C 13 29.080 . . 1 . . . . 118 LYS CB . 16669 1 259 . 1 1 119 119 LYS H H 1 8.780 . . 1 . . . . 119 LYS HN . 16669 1 260 . 1 1 119 119 LYS C C 13 177.400 . . 1 . . . . 119 LYS C . 16669 1 261 . 1 1 119 119 LYS CA C 13 59.170 . . 1 . . . . 119 LYS CA . 16669 1 262 . 1 1 119 119 LYS CB C 13 32.390 . . 1 . . . . 119 LYS CB . 16669 1 263 . 1 1 119 119 LYS N N 15 116.240 . . 1 . . . . 119 LYS N . 16669 1 264 . 1 1 120 120 ASP H H 1 8.820 . . 1 . . . . 120 ASP HN . 16669 1 265 . 1 1 120 120 ASP C C 13 176.380 . . 1 . . . . 120 ASP C . 16669 1 266 . 1 1 120 120 ASP CA C 13 55.440 . . 1 . . . . 120 ASP CA . 16669 1 267 . 1 1 120 120 ASP CB C 13 40.350 . . 1 . . . . 120 ASP CB . 16669 1 268 . 1 1 120 120 ASP N N 15 115.510 . . 1 . . . . 120 ASP N . 16669 1 269 . 1 1 121 121 LEU H H 1 8.160 . . 1 . . . . 121 LEU HN . 16669 1 270 . 1 1 121 121 LEU C C 13 177.820 . . 1 . . . . 121 LEU C . 16669 1 271 . 1 1 121 121 LEU CA C 13 55.150 . . 1 . . . . 121 LEU CA . 16669 1 272 . 1 1 121 121 LEU CB C 13 40.710 . . 1 . . . . 121 LEU CB . 16669 1 273 . 1 1 121 121 LEU N N 15 118.340 . . 1 . . . . 121 LEU N . 16669 1 274 . 1 1 122 122 ARG H H 1 7.380 . . 1 . . . . 122 ARG HN . 16669 1 275 . 1 1 122 122 ARG C C 13 175.640 . . 1 . . . . 122 ARG C . 16669 1 276 . 1 1 122 122 ARG CA C 13 60.300 . . 1 . . . . 122 ARG CA . 16669 1 277 . 1 1 122 122 ARG CB C 13 29.570 . . 1 . . . . 122 ARG CB . 16669 1 278 . 1 1 122 122 ARG N N 15 118.020 . . 1 . . . . 122 ARG N . 16669 1 279 . 1 1 123 123 ASN H H 1 7.770 . . 1 . . . . 123 ASN HN . 16669 1 280 . 1 1 123 123 ASN C C 13 174.410 . . 1 . . . . 123 ASN C . 16669 1 281 . 1 1 123 123 ASN CA C 13 51.560 . . 1 . . . . 123 ASN CA . 16669 1 282 . 1 1 123 123 ASN CB C 13 38.730 . . 1 . . . . 123 ASN CB . 16669 1 283 . 1 1 123 123 ASN N N 15 111.730 . . 1 . . . . 123 ASN N . 16669 1 284 . 1 1 124 124 ASP H H 1 7.100 . . 1 . . . . 124 ASP HN . 16669 1 285 . 1 1 124 124 ASP C C 13 175.730 . . 1 . . . . 124 ASP C . 16669 1 286 . 1 1 124 124 ASP CA C 13 54.100 . . 1 . . . . 124 ASP CA . 16669 1 287 . 1 1 124 124 ASP CB C 13 44.160 . . 1 . . . . 124 ASP CB . 16669 1 288 . 1 1 124 124 ASP N N 15 121.300 . . 1 . . . . 124 ASP N . 16669 1 289 . 1 1 125 125 GLU H H 1 9.210 . . 1 . . . . 125 GLU HN . 16669 1 290 . 1 1 125 125 GLU C C 13 178.280 . . 1 . . . . 125 GLU C . 16669 1 291 . 1 1 125 125 GLU CA C 13 59.950 . . 1 . . . . 125 GLU CA . 16669 1 292 . 1 1 125 125 GLU CB C 13 30.200 . . 1 . . . . 125 GLU CB . 16669 1 293 . 1 1 125 125 GLU N N 15 130.000 . . 1 . . . . 125 GLU N . 16669 1 294 . 1 1 126 126 HIS H H 1 8.510 . . 1 . . . . 126 HIS HN . 16669 1 295 . 1 1 126 126 HIS C C 13 177.010 . . 1 . . . . 126 HIS C . 16669 1 296 . 1 1 126 126 HIS CA C 13 60.230 . . 1 . . . . 126 HIS CA . 16669 1 297 . 1 1 126 126 HIS CB C 13 29.570 . . 1 . . . . 126 HIS CB . 16669 1 298 . 1 1 126 126 HIS N N 15 119.780 . . 1 . . . . 126 HIS N . 16669 1 299 . 1 1 127 127 THR H H 1 8.340 . . 1 . . . . 127 THR HN . 16669 1 300 . 1 1 127 127 THR C C 13 176.320 . . 1 . . . . 127 THR C . 16669 1 301 . 1 1 127 127 THR CA C 13 67.210 . . 1 . . . . 127 THR CA . 16669 1 302 . 1 1 127 127 THR CB C 13 69.110 . . 1 . . . . 127 THR CB . 16669 1 303 . 1 1 127 127 THR N N 15 117.870 . . 1 . . . . 127 THR N . 16669 1 304 . 1 1 128 128 ARG H H 1 8.280 . . 1 . . . . 128 ARG HN . 16669 1 305 . 1 1 128 128 ARG C C 13 179.620 . . 1 . . . . 128 ARG C . 16669 1 306 . 1 1 128 128 ARG CA C 13 60.720 . . 1 . . . . 128 ARG CA . 16669 1 307 . 1 1 128 128 ARG CB C 13 30.200 . . 1 . . . . 128 ARG CB . 16669 1 308 . 1 1 128 128 ARG N N 15 118.760 . . 1 . . . . 128 ARG N . 16669 1 309 . 1 1 129 129 ARG H H 1 8.380 . . 1 . . . . 129 ARG HN . 16669 1 310 . 1 1 129 129 ARG C C 13 179.350 . . 1 . . . . 129 ARG C . 16669 1 311 . 1 1 129 129 ARG CA C 13 59.520 . . 1 . . . . 129 ARG CA . 16669 1 312 . 1 1 129 129 ARG CB C 13 30.550 . . 1 . . . . 129 ARG CB . 16669 1 313 . 1 1 129 129 ARG N N 15 120.900 . . 1 . . . . 129 ARG N . 16669 1 314 . 1 1 130 130 GLU H H 1 8.400 . . 1 . . . . 130 GLU HN . 16669 1 315 . 1 1 130 130 GLU C C 13 180.670 . . 1 . . . . 130 GLU C . 16669 1 316 . 1 1 130 130 GLU CA C 13 59.520 . . 1 . . . . 130 GLU CA . 16669 1 317 . 1 1 130 130 GLU CB C 13 30.620 . . 1 . . . . 130 GLU CB . 16669 1 318 . 1 1 130 130 GLU N N 15 120.070 . . 1 . . . . 130 GLU N . 16669 1 319 . 1 1 131 131 LEU H H 1 8.470 . . 1 . . . . 131 LEU HN . 16669 1 320 . 1 1 131 131 LEU C C 13 180.390 . . 1 . . . . 131 LEU C . 16669 1 321 . 1 1 131 131 LEU CA C 13 57.760 . . 1 . . . . 131 LEU CA . 16669 1 322 . 1 1 131 131 LEU CB C 13 41.620 . . 1 . . . . 131 LEU CB . 16669 1 323 . 1 1 131 131 LEU N N 15 119.520 . . 1 . . . . 131 LEU N . 16669 1 324 . 1 1 132 132 ALA H H 1 8.110 . . 1 . . . . 132 ALA HN . 16669 1 325 . 1 1 132 132 ALA HA H 1 17.870 . . 1 . . . . 132 ALA HA . 16669 1 326 . 1 1 132 132 ALA C C 13 181.740 . . 1 . . . . 132 ALA C . 16669 1 327 . 1 1 132 132 ALA CA C 13 55.220 . . 1 . . . . 132 ALA CA . 16669 1 328 . 1 1 132 132 ALA N N 15 122.260 . . 1 . . . . 132 ALA N . 16669 1 329 . 1 1 133 133 LYS H H 1 7.480 . . 1 . . . . 133 LYS HN . 16669 1 330 . 1 1 133 133 LYS C C 13 177.860 . . 1 . . . . 133 LYS C . 16669 1 331 . 1 1 133 133 LYS CA C 13 59.450 . . 1 . . . . 133 LYS CA . 16669 1 332 . 1 1 133 133 LYS CB C 13 32.670 . . 1 . . . . 133 LYS CB . 16669 1 333 . 1 1 133 133 LYS N N 15 119.590 . . 1 . . . . 133 LYS N . 16669 1 334 . 1 1 134 134 MET H H 1 7.410 . . 1 . . . . 134 MET HN . 16669 1 335 . 1 1 134 134 MET C C 13 177.860 . . 1 . . . . 134 MET C . 16669 1 336 . 1 1 134 134 MET CA C 13 53.530 . . 1 . . . . 134 MET CA . 16669 1 337 . 1 1 134 134 MET CB C 13 31.960 . . 1 . . . . 134 MET CB . 16669 1 338 . 1 1 134 134 MET N N 15 115.980 . . 1 . . . . 134 MET N . 16669 1 339 . 1 1 135 135 LYS H H 1 8.000 . . 1 . . . . 135 LYS HN . 16669 1 340 . 1 1 135 135 LYS C C 13 175.360 . . 1 . . . . 135 LYS C . 16669 1 341 . 1 1 135 135 LYS CA C 13 57.410 . . 1 . . . . 135 LYS CA . 16669 1 342 . 1 1 135 135 LYS CB C 13 28.870 . . 1 . . . . 135 LYS CB . 16669 1 343 . 1 1 135 135 LYS N N 15 114.740 . . 1 . . . . 135 LYS N . 16669 1 344 . 1 1 136 136 GLN H H 1 7.890 . . 1 . . . . 136 GLN HN . 16669 1 345 . 1 1 136 136 GLN C C 13 175.190 . . 1 . . . . 136 GLN C . 16669 1 346 . 1 1 136 136 GLN CA C 13 53.880 . . 1 . . . . 136 GLN CA . 16669 1 347 . 1 1 136 136 GLN CB C 13 34.080 . . 1 . . . . 136 GLN CB . 16669 1 348 . 1 1 136 136 GLN N N 15 116.110 . . 1 . . . . 136 GLN N . 16669 1 349 . 1 1 137 137 GLU H H 1 8.280 . . 1 . . . . 137 GLU HN . 16669 1 350 . 1 1 137 137 GLU CA C 13 54.170 . . 1 . . . . 137 GLU CA . 16669 1 351 . 1 1 137 137 GLU CB C 13 31.680 . . 1 . . . . 137 GLU CB . 16669 1 352 . 1 1 137 137 GLU N N 15 119.340 . . 1 . . . . 137 GLU N . 16669 1 353 . 1 1 138 138 PRO C C 13 175.960 . . 1 . . . . 138 PRO C . 16669 1 354 . 1 1 138 138 PRO CA C 13 63.190 . . 1 . . . . 138 PRO CA . 16669 1 355 . 1 1 138 138 PRO CB C 13 32.320 . . 1 . . . . 138 PRO CB . 16669 1 356 . 1 1 139 139 VAL H H 1 8.830 . . 1 . . . . 139 VAL HN . 16669 1 357 . 1 1 139 139 VAL C C 13 176.780 . . 1 . . . . 139 VAL C . 16669 1 358 . 1 1 139 139 VAL CA C 13 64.320 . . 1 . . . . 139 VAL CA . 16669 1 359 . 1 1 139 139 VAL N N 15 123.520 . . 1 . . . . 139 VAL N . 16669 1 360 . 1 1 140 140 LYS H H 1 9.190 . . 1 . . . . 140 LYS HN . 16669 1 361 . 1 1 140 140 LYS CA C 13 54.660 . . 1 . . . . 140 LYS CA . 16669 1 362 . 1 1 140 140 LYS CB C 13 32.460 . . 1 . . . . 140 LYS CB . 16669 1 363 . 1 1 140 140 LYS N N 15 130.510 . . 1 . . . . 140 LYS N . 16669 1 364 . 1 1 141 141 PRO C C 13 179.290 . . 1 . . . . 141 PRO C . 16669 1 365 . 1 1 141 141 PRO CA C 13 66.010 . . 1 . . . . 141 PRO CA . 16669 1 366 . 1 1 141 141 PRO CB C 13 31.610 . . 1 . . . . 141 PRO CB . 16669 1 367 . 1 1 142 142 GLU H H 1 9.570 . . 1 . . . . 142 GLU HN . 16669 1 368 . 1 1 142 142 GLU C C 13 178.750 . . 1 . . . . 142 GLU C . 16669 1 369 . 1 1 142 142 GLU CA C 13 59.740 . . 1 . . . . 142 GLU CA . 16669 1 370 . 1 1 142 142 GLU CB C 13 28.650 . . 1 . . . . 142 GLU CB . 16669 1 371 . 1 1 142 142 GLU N N 15 115.180 . . 1 . . . . 142 GLU N . 16669 1 372 . 1 1 143 143 GLU H H 1 7.250 . . 1 . . . . 143 GLU HN . 16669 1 373 . 1 1 143 143 GLU C C 13 180.560 . . 1 . . . . 143 GLU C . 16669 1 374 . 1 1 143 143 GLU CA C 13 58.540 . . 1 . . . . 143 GLU CA . 16669 1 375 . 1 1 143 143 GLU CB C 13 29.780 . . 1 . . . . 143 GLU CB . 16669 1 376 . 1 1 143 143 GLU N N 15 118.900 . . 1 . . . . 143 GLU N . 16669 1 377 . 1 1 144 144 GLY H H 1 7.410 . . 1 . . . . 144 GLY HN . 16669 1 378 . 1 1 144 144 GLY C C 13 174.320 . . 1 . . . . 144 GLY C . 16669 1 379 . 1 1 144 144 GLY CA C 13 46.630 . . 1 . . . . 144 GLY CA . 16669 1 380 . 1 1 144 144 GLY N N 15 108.370 . . 1 . . . . 144 GLY N . 16669 1 381 . 1 1 145 145 ARG H H 1 7.660 . . 1 . . . . 145 ARG HN . 16669 1 382 . 1 1 145 145 ARG C C 13 178.860 . . 1 . . . . 145 ARG C . 16669 1 383 . 1 1 145 145 ARG CA C 13 59.380 . . 1 . . . . 145 ARG CA . 16669 1 384 . 1 1 145 145 ARG CB C 13 29.920 . . 1 . . . . 145 ARG CB . 16669 1 385 . 1 1 145 145 ARG N N 15 121.200 . . 1 . . . . 145 ARG N . 16669 1 386 . 1 1 146 146 ASP H H 1 7.950 . . 1 . . . . 146 ASP HN . 16669 1 387 . 1 1 146 146 ASP C C 13 179.040 . . 1 . . . . 146 ASP C . 16669 1 388 . 1 1 146 146 ASP CA C 13 57.200 . . 1 . . . . 146 ASP CA . 16669 1 389 . 1 1 146 146 ASP CB C 13 40.570 . . 1 . . . . 146 ASP CB . 16669 1 390 . 1 1 146 146 ASP N N 15 118.800 . . 1 . . . . 146 ASP N . 16669 1 391 . 1 1 147 147 MET H H 1 7.590 . . 1 . . . . 147 MET HN . 16669 1 392 . 1 1 147 147 MET C C 13 177.460 . . 1 . . . . 147 MET C . 16669 1 393 . 1 1 147 147 MET CA C 13 56.770 . . 1 . . . . 147 MET CA . 16669 1 394 . 1 1 147 147 MET CB C 13 29.640 . . 1 . . . . 147 MET CB . 16669 1 395 . 1 1 147 147 MET N N 15 120.470 . . 1 . . . . 147 MET N . 16669 1 396 . 1 1 148 148 ALA H H 1 8.210 . . 1 . . . . 148 ALA HN . 16669 1 397 . 1 1 148 148 ALA C C 13 179.090 . . 1 . . . . 148 ALA C . 16669 1 398 . 1 1 148 148 ALA CA C 13 55.080 . . 1 . . . . 148 ALA CA . 16669 1 399 . 1 1 148 148 ALA CB C 13 18.570 . . 1 . . . . 148 ALA CB . 16669 1 400 . 1 1 148 148 ALA N N 15 121.730 . . 1 . . . . 148 ALA N . 16669 1 401 . 1 1 149 149 ASN H H 1 7.780 . . 1 . . . . 149 ASN HN . 16669 1 402 . 1 1 149 149 ASN C C 13 178.190 . . 1 . . . . 149 ASN C . 16669 1 403 . 1 1 149 149 ASN CA C 13 55.720 . . 1 . . . . 149 ASN CA . 16669 1 404 . 1 1 149 149 ASN CB C 13 38.170 . . 1 . . . . 149 ASN CB . 16669 1 405 . 1 1 149 149 ASN N N 15 115.970 . . 1 . . . . 149 ASN N . 16669 1 406 . 1 1 150 150 ARG H H 1 8.210 . . 1 . . . . 150 ARG HN . 16669 1 407 . 1 1 150 150 ARG C C 13 178.950 . . 1 . . . . 150 ARG C . 16669 1 408 . 1 1 150 150 ARG CA C 13 59.740 . . 1 . . . . 150 ARG CA . 16669 1 409 . 1 1 150 150 ARG CB C 13 30.480 . . 1 . . . . 150 ARG CB . 16669 1 410 . 1 1 150 150 ARG N N 15 122.470 . . 1 . . . . 150 ARG N . 16669 1 411 . 1 1 151 151 ILE H H 1 7.890 . . 1 . . . . 151 ILE HN . 16669 1 412 . 1 1 151 151 ILE C C 13 176.200 . . 1 . . . . 151 ILE C . 16669 1 413 . 1 1 151 151 ILE CA C 13 61.640 . . 1 . . . . 151 ILE CA . 16669 1 414 . 1 1 151 151 ILE CB C 13 38.730 . . 1 . . . . 151 ILE CB . 16669 1 415 . 1 1 151 151 ILE N N 15 108.960 . . 1 . . . . 151 ILE N . 16669 1 416 . 1 1 152 152 GLY H H 1 7.630 . . 1 . . . . 152 GLY HN . 16669 1 417 . 1 1 152 152 GLY C C 13 175.920 . . 1 . . . . 152 GLY C . 16669 1 418 . 1 1 152 152 GLY CA C 13 46.340 . . 1 . . . . 152 GLY CA . 16669 1 419 . 1 1 152 152 GLY N N 15 110.610 . . 1 . . . . 152 GLY N . 16669 1 420 . 1 1 153 153 ALA H H 1 8.560 . . 1 . . . . 153 ALA HN . 16669 1 421 . 1 1 153 153 ALA C C 13 176.750 . . 1 . . . . 153 ALA C . 16669 1 422 . 1 1 153 153 ALA CA C 13 52.620 . . 1 . . . . 153 ALA CA . 16669 1 423 . 1 1 153 153 ALA CB C 13 19.140 . . 1 . . . . 153 ALA CB . 16669 1 424 . 1 1 153 153 ALA N N 15 122.100 . . 1 . . . . 153 ALA N . 16669 1 425 . 1 1 154 154 PHE H H 1 9.770 . . 1 . . . . 154 PHE HN . 16669 1 426 . 1 1 154 154 PHE C C 13 175.960 . . 1 . . . . 154 PHE C . 16669 1 427 . 1 1 154 154 PHE CA C 13 60.160 . . 1 . . . . 154 PHE CA . 16669 1 428 . 1 1 154 154 PHE CB C 13 40.070 . . 1 . . . . 154 PHE CB . 16669 1 429 . 1 1 154 154 PHE N N 15 125.030 . . 1 . . . . 154 PHE N . 16669 1 430 . 1 1 155 155 GLY H H 1 7.300 . . 1 . . . . 155 GLY HN . 16669 1 431 . 1 1 155 155 GLY C C 13 174.370 . . 1 . . . . 155 GLY C . 16669 1 432 . 1 1 155 155 GLY CA C 13 45.080 . . 1 . . . . 155 GLY CA . 16669 1 433 . 1 1 155 155 GLY N N 15 99.910 . . 1 . . . . 155 GLY N . 16669 1 434 . 1 1 156 156 TYR H H 1 8.280 . . 1 . . . . 156 TYR HN . 16669 1 435 . 1 1 156 156 TYR C C 13 174.150 . . 1 . . . . 156 TYR C . 16669 1 436 . 1 1 156 156 TYR CA C 13 55.580 . . 1 . . . . 156 TYR CA . 16669 1 437 . 1 1 156 156 TYR CB C 13 42.190 . . 1 . . . . 156 TYR CB . 16669 1 438 . 1 1 156 156 TYR N N 15 119.940 . . 1 . . . . 156 TYR N . 16669 1 439 . 1 1 157 157 MET H H 1 8.250 . . 1 . . . . 157 MET HN . 16669 1 440 . 1 1 157 157 MET C C 13 172.520 . . 1 . . . . 157 MET C . 16669 1 441 . 1 1 157 157 MET CA C 13 52.470 . . 1 . . . . 157 MET CA . 16669 1 442 . 1 1 157 157 MET CB C 13 37.250 . . 1 . . . . 157 MET CB . 16669 1 443 . 1 1 157 157 MET N N 15 125.780 . . 1 . . . . 157 MET N . 16669 1 444 . 1 1 158 158 GLU H H 1 7.830 . . 1 . . . . 158 GLU HN . 16669 1 445 . 1 1 158 158 GLU C C 13 176.740 . . 1 . . . . 158 GLU C . 16669 1 446 . 1 1 158 158 GLU CA C 13 53.390 . . 1 . . . . 158 GLU CA . 16669 1 447 . 1 1 158 158 GLU CB C 13 33.160 . . 1 . . . . 158 GLU CB . 16669 1 448 . 1 1 158 158 GLU N N 15 116.200 . . 1 . . . . 158 GLU N . 16669 1 449 . 1 1 159 159 CYS H H 1 9.160 . . 1 . . . . 159 CYS HN . 16669 1 450 . 1 1 159 159 CYS C C 13 172.120 . . 1 . . . . 159 CYS C . 16669 1 451 . 1 1 159 159 CYS CA C 13 55.930 . . 1 . . . . 159 CYS CA . 16669 1 452 . 1 1 159 159 CYS CB C 13 31.970 . . 1 . . . . 159 CYS CB . 16669 1 453 . 1 1 159 159 CYS N N 15 114.830 . . 1 . . . . 159 CYS N . 16669 1 454 . 1 1 160 160 SER H H 1 8.830 . . 1 . . . . 160 SER HN . 16669 1 455 . 1 1 160 160 SER CA C 13 56.000 . . 1 . . . . 160 SER CA . 16669 1 456 . 1 1 160 160 SER CB C 13 64.950 . . 1 . . . . 160 SER CB . 16669 1 457 . 1 1 160 160 SER N N 15 111.800 . . 1 . . . . 160 SER N . 16669 1 458 . 1 1 162 162 LYS C C 13 177.570 . . 1 . . . . 162 LYS C . 16669 1 459 . 1 1 162 162 LYS CA C 13 58.750 . . 1 . . . . 162 LYS CA . 16669 1 460 . 1 1 162 162 LYS CB C 13 32.950 . . 1 . . . . 162 LYS CB . 16669 1 461 . 1 1 163 163 THR H H 1 7.910 . . 1 . . . . 163 THR HN . 16669 1 462 . 1 1 163 163 THR C C 13 175.330 . . 1 . . . . 163 THR C . 16669 1 463 . 1 1 163 163 THR CA C 13 61.360 . . 1 . . . . 163 THR CA . 16669 1 464 . 1 1 163 163 THR CB C 13 69.390 . . 1 . . . . 163 THR CB . 16669 1 465 . 1 1 163 163 THR N N 15 106.100 . . 1 . . . . 163 THR N . 16669 1 466 . 1 1 164 164 LYS H H 1 7.870 . . 1 . . . . 164 LYS HN . 16669 1 467 . 1 1 164 164 LYS C C 13 175.390 . . 1 . . . . 164 LYS C . 16669 1 468 . 1 1 164 164 LYS CA C 13 60.160 . . 1 . . . . 164 LYS CA . 16669 1 469 . 1 1 164 164 LYS CB C 13 30.270 . . 1 . . . . 164 LYS CB . 16669 1 470 . 1 1 164 164 LYS N N 15 118.050 . . 1 . . . . 164 LYS N . 16669 1 471 . 1 1 165 165 ASP H H 1 7.920 . . 1 . . . . 165 ASP HN . 16669 1 472 . 1 1 165 165 ASP C C 13 177.340 . . 1 . . . . 165 ASP C . 16669 1 473 . 1 1 165 165 ASP CA C 13 55.160 . . 1 . . . . 165 ASP CA . 16669 1 474 . 1 1 165 165 ASP CB C 13 42.190 . . 1 . . . . 165 ASP CB . 16669 1 475 . 1 1 165 165 ASP N N 15 122.070 . . 1 . . . . 165 ASP N . 16669 1 476 . 1 1 166 166 GLY H H 1 9.170 . . 1 . . . . 166 GLY HN . 16669 1 477 . 1 1 166 166 GLY C C 13 174.600 . . 1 . . . . 166 GLY C . 16669 1 478 . 1 1 166 166 GLY CA C 13 46.700 . . 1 . . . . 166 GLY CA . 16669 1 479 . 1 1 166 166 GLY N N 15 115.480 . . 1 . . . . 166 GLY N . 16669 1 480 . 1 1 167 167 VAL H H 1 7.360 . . 1 . . . . 167 VAL HN . 16669 1 481 . 1 1 167 167 VAL C C 13 177.110 . . 1 . . . . 167 VAL C . 16669 1 482 . 1 1 167 167 VAL CA C 13 67.350 . . 1 . . . . 167 VAL CA . 16669 1 483 . 1 1 167 167 VAL CB C 13 31.680 . . 1 . . . . 167 VAL CB . 16669 1 484 . 1 1 167 167 VAL N N 15 119.950 . . 1 . . . . 167 VAL N . 16669 1 485 . 1 1 168 168 ARG H H 1 8.670 . . 1 . . . . 168 ARG HN . 16669 1 486 . 1 1 168 168 ARG C C 13 178.410 . . 1 . . . . 168 ARG C . 16669 1 487 . 1 1 168 168 ARG CA C 13 60.230 . . 1 . . . . 168 ARG CA . 16669 1 488 . 1 1 168 168 ARG CB C 13 28.930 . . 1 . . . . 168 ARG CB . 16669 1 489 . 1 1 168 168 ARG N N 15 119.090 . . 1 . . . . 168 ARG N . 16669 1 490 . 1 1 169 169 GLU H H 1 9.430 . . 1 . . . . 169 GLU HN . 16669 1 491 . 1 1 169 169 GLU C C 13 179.970 . . 1 . . . . 169 GLU C . 16669 1 492 . 1 1 169 169 GLU CA C 13 61.500 . . 1 . . . . 169 GLU CA . 16669 1 493 . 1 1 169 169 GLU CB C 13 28.650 . . 1 . . . . 169 GLU CB . 16669 1 494 . 1 1 169 169 GLU N N 15 118.330 . . 1 . . . . 169 GLU N . 16669 1 495 . 1 1 170 170 VAL H H 1 7.780 . . 1 . . . . 170 VAL HN . 16669 1 496 . 1 1 170 170 VAL C C 13 176.560 . . 1 . . . . 170 VAL C . 16669 1 497 . 1 1 170 170 VAL CA C 13 67.140 . . 1 . . . . 170 VAL CA . 16669 1 498 . 1 1 170 170 VAL CB C 13 31.330 . . 1 . . . . 170 VAL CB . 16669 1 499 . 1 1 170 170 VAL N N 15 121.100 . . 1 . . . . 170 VAL N . 16669 1 500 . 1 1 171 171 PHE H H 1 6.960 . . 1 . . . . 171 PHE HN . 16669 1 501 . 1 1 171 171 PHE C C 13 179.270 . . 1 . . . . 171 PHE C . 16669 1 502 . 1 1 171 171 PHE CA C 13 62.840 . . 1 . . . . 171 PHE CA . 16669 1 503 . 1 1 171 171 PHE CB C 13 41.900 . . 1 . . . . 171 PHE CB . 16669 1 504 . 1 1 171 171 PHE N N 15 116.430 . . 1 . . . . 171 PHE N . 16669 1 505 . 1 1 172 172 GLU H H 1 9.050 . . 1 . . . . 172 GLU HN . 16669 1 506 . 1 1 172 172 GLU CA C 13 60.370 . . 1 . . . . 172 GLU CA . 16669 1 507 . 1 1 172 172 GLU N N 15 124.650 . . 1 . . . . 172 GLU N . 16669 1 508 . 1 1 173 173 MET C C 13 178.020 . . 1 . . . . 173 MET C . 16669 1 509 . 1 1 173 173 MET CA C 13 59.240 . . 1 . . . . 173 MET CA . 16669 1 510 . 1 1 173 173 MET CB C 13 32.950 . . 1 . . . . 173 MET CB . 16669 1 511 . 1 1 174 174 ALA H H 1 8.200 . . 1 . . . . 174 ALA HN . 16669 1 512 . 1 1 174 174 ALA C C 13 178.380 . . 1 . . . . 174 ALA C . 16669 1 513 . 1 1 174 174 ALA CA C 13 54.730 . . 1 . . . . 174 ALA CA . 16669 1 514 . 1 1 174 174 ALA CB C 13 18.640 . . 1 . . . . 174 ALA CB . 16669 1 515 . 1 1 174 174 ALA N N 15 118.990 . . 1 . . . . 174 ALA N . 16669 1 516 . 1 1 175 175 THR H H 1 7.910 . . 1 . . . . 175 THR HN . 16669 1 517 . 1 1 175 175 THR C C 13 175.860 . . 1 . . . . 175 THR C . 16669 1 518 . 1 1 175 175 THR CA C 13 63.120 . . 1 . . . . 175 THR CA . 16669 1 519 . 1 1 175 175 THR CB C 13 67.560 . . 1 . . . . 175 THR CB . 16669 1 520 . 1 1 175 175 THR N N 15 114.280 . . 1 . . . . 175 THR N . 16669 1 521 . 1 1 176 176 ARG H H 1 8.200 . . 1 . . . . 176 ARG HN . 16669 1 522 . 1 1 176 176 ARG C C 13 179.520 . . 1 . . . . 176 ARG C . 16669 1 523 . 1 1 176 176 ARG CA C 13 61.140 . . 1 . . . . 176 ARG CA . 16669 1 524 . 1 1 176 176 ARG N N 15 120.820 . . 1 . . . . 176 ARG N . 16669 1 525 . 1 1 177 177 ALA H H 1 7.980 . . 1 . . . . 177 ALA HN . 16669 1 526 . 1 1 177 177 ALA C C 13 179.610 . . 1 . . . . 177 ALA C . 16669 1 527 . 1 1 177 177 ALA CA C 13 55.160 . . 1 . . . . 177 ALA CA . 16669 1 528 . 1 1 177 177 ALA CB C 13 16.670 . . 1 . . . . 177 ALA CB . 16669 1 529 . 1 1 177 177 ALA N N 15 120.480 . . 1 . . . . 177 ALA N . 16669 1 530 . 1 1 178 178 ALA H H 1 7.790 . . 1 . . . . 178 ALA HN . 16669 1 531 . 1 1 178 178 ALA C C 13 178.470 . . 1 . . . . 178 ALA C . 16669 1 532 . 1 1 178 178 ALA CA C 13 53.880 . . 1 . . . . 178 ALA CA . 16669 1 533 . 1 1 178 178 ALA CB C 13 17.300 . . 1 . . . . 178 ALA CB . 16669 1 534 . 1 1 178 178 ALA N N 15 119.100 . . 1 . . . . 178 ALA N . 16669 1 535 . 1 1 179 179 LEU H H 1 7.860 . . 1 . . . . 179 LEU HN . 16669 1 536 . 1 1 179 179 LEU C C 13 177.840 . . 1 . . . . 179 LEU C . 16669 1 537 . 1 1 179 179 LEU CA C 13 55.650 . . 1 . . . . 179 LEU CA . 16669 1 538 . 1 1 179 179 LEU CB C 13 42.320 . . 1 . . . . 179 LEU CB . 16669 1 539 . 1 1 179 179 LEU N N 15 116.130 . . 1 . . . . 179 LEU N . 16669 1 540 . 1 1 180 180 GLN H H 1 7.410 . . 1 . . . . 180 GLN HN . 16669 1 541 . 1 1 180 180 GLN C C 13 174.770 . . 1 . . . . 180 GLN C . 16669 1 542 . 1 1 180 180 GLN CA C 13 56.700 . . 1 . . . . 180 GLN CA . 16669 1 543 . 1 1 180 180 GLN CB C 13 29.430 . . 1 . . . . 180 GLN CB . 16669 1 544 . 1 1 180 180 GLN N N 15 118.240 . . 1 . . . . 180 GLN N . 16669 1 545 . 1 1 181 181 ALA H H 1 7.710 . . 1 . . . . 181 ALA HN . 16669 1 546 . 1 1 181 181 ALA CA C 13 54.310 . . 1 . . . . 181 ALA CA . 16669 1 547 . 1 1 181 181 ALA CB C 13 20.120 . . 1 . . . . 181 ALA CB . 16669 1 548 . 1 1 181 181 ALA N N 15 130.010 . . 1 . . . . 181 ALA N . 16669 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_GTPgS_hsqc _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_GTPgS_hsqc _Spectral_peak_list.Entry_ID 16669 _Spectral_peak_list.ID 1 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 1 _Spectral_peak_list.Experiment_name '2D 1H-15N HSQC' _Spectral_peak_list.Number_of_spectral_dimensions 2 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; loop_ _Peak_list_number _Intensity_height _Intensity_volume _Intensity_volume2 _Peak_status _flag _comment _Dim_1_label _Dim_1_chem_shift _Dim_1_line_width _Dim_1_bounds _Dim_1_error _Dim_1_j _Dim_1_link0 _Dim_1_link1 _Dim_1_thread _Dim_1_user _Dim_2_label _Dim_2_chem_shift _Dim_2_line_width _Dim_2_bounds _Dim_2_error _Dim_2_j _Dim_2_link0 _Dim_2_link1 _Dim_2_thread _Dim_2_user 0 0.033 0.000 0.000 0 2 {?} {?} 11.62913036 0.04479000 0.08143000 {++} 0.00000000 0 0 0 {?} {?} 132.69013977 0.24792001 0.47490001 {++} 0.00000000 0 0 0 {?} 1 0.034 0.000 0.000 0 2 {?} {?} 10.61452961 0.04193000 0.07567000 {++} 0.00000000 0 0 0 {?} {?} 124.77760315 0.31676999 0.58078003 {++} 0.00000000 0 0 0 {?} 2 0.013 0.000 0.000 0 2 {?} {?} 10.19151020 0.04074000 0.04069000 {++} 0.00000000 0 0 0 {?} {?} 117.36636353 0.48967001 0.48921999 {++} 0.00000000 0 0 0 {?} 3 0.036 0.000 0.000 0 2 {?} {?} 10.05430984 0.04785000 0.08592000 {+P} 0.00000000 0 0 0 {?} {?} 129.39167786 0.32661000 0.57086003 {++} 0.00000000 0 0 0 {?} 4 0.039 0.000 0.000 0 2 {?} {?} 9.77530956 0.04391000 0.08984000 {++} 0.00000000 0 0 0 {?} {?} 125.02604675 0.27366000 0.49101001 {++} 0.00000000 0 0 0 {?} 5 0.011 0.000 0.000 0 2 {?} {?} 9.64451027 0.04512000 0.04512000 {++} 0.00000000 0 0 0 {?} {?} 127.79904938 0.39658001 0.35275000 {++} 0.00000000 0 0 0 {?} 6 0.020 0.000 0.000 0 2 {?} {?} 9.59125042 0.04532000 0.08592000 {P+} 0.00000000 0 0 0 {?} {?} 134.27070618 0.21760000 0.29075000 {++} 0.00000000 0 0 0 {?} 7 0.012 0.000 0.000 0 2 {?} {?} 9.56398010 0.04341000 0.03928000 {++} 0.00000000 0 0 0 {?} {?} 118.88327789 0.35122001 0.32820001 {++} 0.00000000 0 0 0 {?} 8 0.087 0.000 0.000 0 2 {?} {?} 9.57161045 0.03123000 0.08479000 {++} 0.00000000 0 0 0 {?} {?} 115.15823364 0.24571000 0.55322999 {++} 0.00000000 0 0 0 {?} 9 0.031 0.000 0.000 0 2 {?} {?} 9.51144981 0.05490000 0.13999000 {++} 0.00000000 0 0 0 {?} {?} 133.99143982 0.32912999 0.56545001 {++} 0.00000000 0 0 0 {?} 10 0.087 0.000 0.000 0 2 {?} {?} 9.43041039 0.03978000 0.09519000 {++} 0.00000000 0 0 0 {?} {?} 118.32858276 0.31703001 0.57088000 {++} 0.00000000 0 0 0 {?} 11 0.030 0.000 0.000 0 2 {?} {?} 9.37528992 0.05543000 0.07751000 {++} 0.00000000 0 0 0 {?} {?} 113.48004913 0.29683000 0.49210000 {++} 0.00000000 0 0 0 {?} 12 0.026 0.000 0.000 0 2 {?} {?} 9.28522015 0.05376000 0.07559000 {++} 0.00000000 0 0 0 {?} {?} 129.19110107 0.40746999 0.64946997 {++} 0.00000000 0 0 0 {?} 13 0.071 0.000 0.000 0 2 {?} {?} 9.27318954 0.03744000 0.08241000 {++} 0.00000000 0 0 0 {?} {?} 125.45813751 0.36155999 0.66956002 {++} 0.00000000 0 0 0 {?} 14 0.062 0.000 0.000 0 2 {?} {?} 9.21533966 0.03507000 0.07084000 {++} 0.00000000 0 0 0 {?} {?} 129.98725891 0.29602000 0.73885000 {+P} 0.00000000 0 0 0 {?} 15 0.048 0.000 0.000 0 2 {?} {?} 9.19425964 0.03816000 0.09132000 {++} 0.00000000 0 0 0 {?} {?} 130.50273132 0.42578000 0.74212998 {P+} 0.00000000 0 0 0 {?} 16 0.094 0.000 0.000 0 2 {?} {?} 9.17389011 0.04072000 0.10156000 {++} 0.00000000 0 0 0 {?} {?} 127.68290710 0.35644999 0.67408001 {+P} 0.00000000 0 0 0 {?} 17 0.077 0.000 0.000 0 2 {?} {?} 9.17055035 0.03971000 0.08104000 {++} 0.00000000 0 0 0 {?} {?} 115.46961975 0.27941000 0.74212998 {P+} 0.00000000 0 0 0 {?} 18 0.056 0.000 0.000 0 2 {?} {?} 9.16213989 0.04747000 0.09716000 {++} 0.00000000 0 0 0 {?} {?} 114.84374237 0.22544999 0.74212003 {+P} 0.00000000 0 0 0 {?} 19 0.043 0.000 0.000 0 2 {?} {?} 9.15266991 0.05424000 0.14841001 {P+} 0.00000000 0 0 0 {?} {?} 128.36706543 0.37362999 1.03898001 {P+} 0.00000000 0 0 0 {?} 20 0.054 0.000 0.000 0 2 {?} {?} 9.15694046 0.04229000 0.08413000 {++} 0.00000000 0 0 0 {?} {?} 126.92595673 0.38988999 0.57476002 {++} 0.00000000 0 0 0 {?} 21 0.029 0.000 0.000 0 2 {?} {?} 9.10789013 0.04776000 0.07042000 {++} 0.00000000 0 0 0 {?} {?} 120.74434662 0.33715999 0.50563997 {++} 0.00000000 0 0 0 {?} 22 0.008 0.000 0.000 0 2 {?} {?} 9.07612991 0.02226000 0.02226000 {++} 0.00000000 0 0 0 {?} {?} 129.28369141 0.15385000 0.15386000 {++} 0.00000000 0 0 0 {?} 23 0.021 0.000 0.000 0 2 {?} {?} 9.07402992 0.03994000 0.05224000 {++} 0.00000000 0 0 0 {?} {?} 119.84877014 0.41582000 0.53865999 {++} 0.00000000 0 0 0 {?} 24 0.104 0.000 0.000 0 2 {?} {?} 9.07944012 0.03129000 0.07917000 {++} 0.00000000 0 0 0 {?} {?} 118.75666809 0.36021999 0.57981002 {++} 0.00000000 0 0 0 {?} 25 0.011 0.000 0.000 0 2 {?} {?} 9.06229019 0.02343000 0.05468000 {PP} 0.00000000 0 0 0 {?} {?} 128.39297485 0.43996000 0.37858000 {++} 0.00000000 0 0 0 {?} 26 0.045 0.000 0.000 0 2 {?} {?} 9.03810978 0.04700000 0.08043000 {++} 0.00000000 0 0 0 {?} {?} 124.52365112 0.31564000 0.56436998 {++} 0.00000000 0 0 0 {?} 27 0.012 0.000 0.000 0 2 {?} {?} 9.01138020 0.04522000 0.04324000 {++} 0.00000000 0 0 0 {?} {?} 122.77516937 0.59233999 0.57506001 {++} 0.00000000 0 0 0 {?} 28 0.020 0.000 0.000 0 2 {?} {?} 9.00827026 0.03905000 0.05669000 {+P} 0.00000000 0 0 0 {?} {?} 128.50689697 0.32813999 0.44837999 {++} 0.00000000 0 0 0 {?} 29 0.039 0.000 0.000 0 2 {?} {?} 8.98651981 0.04072000 0.08202000 {++} 0.00000000 0 0 0 {?} {?} 114.78943634 0.26657000 0.46957001 {++} 0.00000000 0 0 0 {?} 30 0.028 0.000 0.000 0 2 {?} {?} 8.97492027 0.06023000 0.08323000 {++} 0.00000000 0 0 0 {?} {?} 123.78687286 0.39003000 0.74212998 {P+} 0.00000000 0 0 0 {?} 31 0.028 0.000 0.000 0 2 {?} {?} 8.96115971 0.04479000 0.16403000 {P+} 0.00000000 0 0 0 {?} {?} 123.32784271 0.44527999 0.44527000 {+P} 0.00000000 0 0 0 {?} 32 0.028 0.000 0.000 0 2 {?} {?} 8.92486954 0.07565000 0.10456000 {++} 0.00000000 0 0 0 {?} {?} 122.50244904 0.31162000 0.48117000 {++} 0.00000000 0 0 0 {?} 33 0.012 0.000 0.000 0 2 {?} {?} 8.92082977 0.03513000 0.03240000 {++} 0.00000000 0 0 0 {?} {?} 121.73681641 0.40910000 0.38213000 {++} 0.00000000 0 0 0 {?} 34 0.049 0.000 0.000 0 2 {?} {?} 8.91040993 0.03644000 0.06716000 {++} 0.00000000 0 0 0 {?} {?} 117.42334747 0.35093999 0.56721002 {++} 0.00000000 0 0 0 {?} 35 0.009 0.000 0.000 0 2 {?} {?} 8.90561008 0.04431000 0.03194000 {++} 0.00000000 0 0 0 {?} {?} 120.65247345 0.45436001 0.34997001 {++} 0.00000000 0 0 0 {?} 36 0.052 0.000 0.000 0 2 {?} {?} 8.83215046 0.04029000 0.10374000 {P+} 0.00000000 0 0 0 {?} {?} 123.52065277 0.35095999 0.58156002 {++} 0.00000000 0 0 0 {?} 37 0.051 0.000 0.000 0 2 {?} {?} 8.83041000 0.04274000 0.09160000 {++} 0.00000000 0 0 0 {?} {?} 111.76838684 0.34373000 0.55707002 {++} 0.00000000 0 0 0 {?} 38 0.039 0.000 0.000 0 2 {?} {?} 8.81599998 0.05107000 0.10650000 {++} 0.00000000 0 0 0 {?} {?} 126.14125824 0.27833000 0.57964998 {++} 0.00000000 0 0 0 {?} 39 0.046 0.000 0.000 0 2 {?} {?} 8.81772041 0.04682000 0.08156000 {++} 0.00000000 0 0 0 {?} {?} 115.52069855 0.37502000 0.63911003 {++} 0.00000000 0 0 0 {?} 40 0.019 0.000 0.000 0 2 {?} {?} 8.79967976 0.04888000 0.06160000 {++} 0.00000000 0 0 0 {?} {?} 126.76438141 0.42118001 0.74212998 {P+} 0.00000000 0 0 0 {?} 41 0.066 0.000 0.000 0 2 {?} {?} 8.80290031 0.04030000 0.08655000 {++} 0.00000000 0 0 0 {?} {?} 113.76141357 0.27004999 0.50932002 {++} 0.00000000 0 0 0 {?} 42 0.078 0.000 0.000 0 2 {?} {?} 8.79047012 0.03133000 0.08007000 {++} 0.00000000 0 0 0 {?} {?} 103.69535828 0.21854000 0.48743999 {++} 0.00000000 0 0 0 {?} 43 0.048 0.000 0.000 0 2 {?} {?} 8.78252029 0.05438000 0.08892000 {++} 0.00000000 0 0 0 {?} {?} 116.23068237 0.35815001 0.57308000 {++} 0.00000000 0 0 0 {?} 44 0.025 0.000 0.000 0 2 {?} {?} 8.76930046 0.05468000 0.05468000 {+P} 0.00000000 0 0 0 {?} {?} 123.39900970 0.36063001 0.50209999 {++} 0.00000000 0 0 0 {?} 45 0.032 0.000 0.000 0 2 {?} {?} 8.74040031 0.04204000 0.06386000 {++} 0.00000000 0 0 0 {?} {?} 119.51757812 0.41496000 0.67391998 {++} 0.00000000 0 0 0 {?} 46 0.067 0.000 0.000 0 2 {?} {?} 8.73130989 0.04091000 0.08511000 {++} 0.00000000 0 0 0 {?} {?} 117.68920898 0.33182001 0.74212003 {P+} 0.00000000 0 0 0 {?} 47 0.060 0.000 0.000 0 2 {?} {?} 8.72500992 0.04861000 0.10378000 {++} 0.00000000 0 0 0 {?} {?} 117.16635132 0.35005999 0.58421999 {+P} 0.00000000 0 0 0 {?} 48 0.028 0.000 0.000 0 2 {?} {?} 8.68033981 0.05468000 0.05468000 {+P} 0.00000000 0 0 0 {?} {?} 117.41108704 0.48805001 0.71780998 {++} 0.00000000 0 0 0 {?} 49 0.019 0.000 0.000 0 2 {?} {?} 8.66623974 0.03564000 0.04760000 {++} 0.00000000 0 0 0 {?} {?} 106.64694977 0.30864000 0.45392999 {++} 0.00000000 0 0 0 {?} 50 0.084 0.000 0.000 0 2 {?} {?} 8.66569042 0.03057000 0.10174000 {++} 0.00000000 0 0 0 {?} {?} 119.08283234 0.27796999 0.55557001 {++} 0.00000000 0 0 0 {?} 51 0.030 0.000 0.000 0 2 {?} {?} 8.62405968 0.03969000 0.05853000 {++} 0.00000000 0 0 0 {?} {?} 118.15601349 0.46595001 0.81713998 {++} 0.00000000 0 0 0 {?} 52 0.012 0.000 0.000 0 2 {?} {?} 8.60902977 0.02343000 0.04620000 {P+} 0.00000000 0 0 0 {?} {?} 124.81005096 0.49017000 0.47029001 {++} 0.00000000 0 0 0 {?} 53 0.010 0.000 0.000 0 2 {?} {?} 8.59885025 0.04310000 0.03356000 {++} 0.00000000 0 0 0 {?} {?} 114.46817017 0.48144999 0.39111999 {++} 0.00000000 0 0 0 {?} 54 0.037 0.000 0.000 0 2 {?} {?} 8.58979988 0.04240000 0.07690000 {P+} 0.00000000 0 0 0 {?} {?} 123.86728668 0.34246001 0.57284999 {++} 0.00000000 0 0 0 {?} 55 0.017 0.000 0.000 0 2 {?} {?} 8.58446026 0.04516000 0.05495000 {++} 0.00000000 0 0 0 {?} {?} 120.85059357 0.42071000 0.49362999 {++} 0.00000000 0 0 0 {?} 56 0.017 0.000 0.000 0 2 {?} {?} 8.56869030 0.04496000 0.05343000 {++} 0.00000000 0 0 0 {?} {?} 124.96684265 0.45776001 0.54070997 {++} 0.00000000 0 0 0 {?} 57 0.065 0.000 0.000 0 2 {?} {?} 8.56258965 0.03690000 0.08136000 {++} 0.00000000 0 0 0 {?} {?} 122.10099030 0.22215000 0.46597001 {++} 0.00000000 0 0 0 {?} 58 0.050 0.000 0.000 0 2 {?} {?} 8.56196976 0.04231000 0.09102000 {++} 0.00000000 0 0 0 {?} {?} 116.46385193 0.27871001 0.75085998 {++} 0.00000000 0 0 0 {?} 59 0.063 0.000 0.000 0 2 {?} {?} 8.55414963 0.04024000 0.08878000 {++} 0.00000000 0 0 0 {?} {?} 127.84677887 0.37467000 0.67422998 {++} 0.00000000 0 0 0 {?} 60 0.029 0.000 0.000 0 2 {?} {?} 8.53814030 0.05468000 0.14841001 {PP} 0.00000000 0 0 0 {?} {?} 123.95046234 0.45910001 0.69297999 {++} 0.00000000 0 0 0 {?} 61 0.025 0.000 0.000 0 2 {?} {?} 8.52645016 0.03905000 0.03905000 {+P} 0.00000000 0 0 0 {?} {?} 116.71658325 0.50573999 0.78671002 {++} 0.00000000 0 0 0 {?} 62 0.103 0.000 0.000 0 2 {?} {?} 8.50957012 0.03132000 0.16403000 {P+} 0.00000000 0 0 0 {?} {?} 119.74738312 0.25417000 0.57955003 {++} 0.00000000 0 0 0 {?} 63 0.015 0.000 0.000 0 2 {?} {?} 8.48196983 0.06846000 0.07540000 {++} 0.00000000 0 0 0 {?} {?} 121.43620300 0.43584999 0.47417000 {++} 0.00000000 0 0 0 {?} 64 0.033 0.000 0.000 0 2 {?} {?} 8.45549011 0.04476000 0.07118000 {++} 0.00000000 0 0 0 {?} {?} 122.88191223 0.28681999 0.47079000 {++} 0.00000000 0 0 0 {?} 65 0.037 0.000 0.000 0 2 {?} {?} 8.45928001 0.04884000 0.08407000 {++} 0.00000000 0 0 0 {?} {?} 111.97863770 0.24515000 0.46057001 {++} 0.00000000 0 0 0 {?} 66 0.053 0.000 0.000 0 2 {?} {?} 8.42555046 0.03763000 0.07183000 {++} 0.00000000 0 0 0 {?} {?} 130.45455933 0.28000000 0.54174000 {++} 0.00000000 0 0 0 {?} 67 0.070 0.000 0.000 0 2 {?} {?} 8.42586040 0.03709000 0.07706000 {++} 0.00000000 0 0 0 {?} {?} 123.67318726 0.34944001 0.56260002 {++} 0.00000000 0 0 0 {?} 68 0.103 0.000 0.000 0 2 {?} {?} 8.41983986 0.03891000 0.07494000 {++} 0.00000000 0 0 0 {?} {?} 125.46101379 0.28588000 0.52686000 {++} 0.00000000 0 0 0 {?} 69 0.078 0.000 0.000 0 2 {?} {?} 8.39888000 0.03397000 0.11716000 {P+} 0.00000000 0 0 0 {?} {?} 120.05713654 0.27757001 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116.97888947 0.39438000 0.74212998 {P+} 0.00000000 0 0 0 {?} 146 0.124 0.000 0.000 0 2 {?} {?} 7.40754986 0.04023000 0.19527000 {P+} 0.00000000 0 0 0 {?} {?} 116.12361908 0.37531999 0.61923999 {+P} 0.00000000 0 0 0 {?} 147 0.063 0.000 0.000 0 2 {?} {?} 7.39592981 0.03555000 0.07429000 {++} 0.00000000 0 0 0 {?} {?} 111.55667114 0.33074000 0.79591000 {++} 0.00000000 0 0 0 {?} 148 0.087 0.000 0.000 0 2 {?} {?} 7.35832024 0.04036000 0.10146000 {++} 0.00000000 0 0 0 {?} {?} 119.92883301 0.27529001 0.58060998 {++} 0.00000000 0 0 0 {?} 149 0.009 0.000 0.000 0 2 {?} {?} 7.34241009 0.02205000 0.02205000 {++} 0.00000000 0 0 0 {?} {?} 122.07758331 0.18825001 0.18825001 {++} 0.00000000 0 0 0 {?} 150 0.014 0.000 0.000 0 2 {?} {?} 7.29853010 0.03149000 0.03417000 {++} 0.00000000 0 0 0 {?} {?} 112.27043915 0.29628000 0.32751000 {++} 0.00000000 0 0 0 {?} 151 0.073 0.000 0.000 0 2 {?} {?} 7.29853010 0.03188000 0.06641000 {++} 0.00000000 0 0 0 {?} {?} 99.90215302 0.33442000 0.60668999 {++} 0.00000000 0 0 0 {?} 152 0.015 0.000 0.000 0 2 {?} {?} 7.25656986 0.07310000 0.07816000 {++} 0.00000000 0 0 0 {?} {?} 123.37146759 0.45230001 0.49380001 {++} 0.00000000 0 0 0 {?} 153 0.029 0.000 0.000 0 2 {?} {?} 7.25699997 0.05468000 0.10500000 {P+} 0.00000000 0 0 0 {?} {?} 122.11892700 0.27245000 0.46195999 {++} 0.00000000 0 0 0 {?} 154 0.061 0.000 0.000 0 2 {?} {?} 7.25499010 0.04322000 0.07692000 {++} 0.00000000 0 0 0 {?} {?} 118.87946320 0.25835001 0.51672000 {++} 0.00000000 0 0 0 {?} 155 0.062 0.000 0.000 0 2 {?} {?} 7.25256014 0.02981000 0.05918000 {++} 0.00000000 0 0 0 {?} {?} 109.41586304 0.35773000 0.74212998 {P+} 0.00000000 0 0 0 {?} 156 0.036 0.000 0.000 0 2 {?} {?} 7.20282984 0.03937000 0.07030000 {+P} 0.00000000 0 0 0 {?} {?} 122.14833069 0.26865000 0.49294999 {++} 0.00000000 0 0 0 {?} 157 0.060 0.000 0.000 0 2 {?} {?} 7.15799999 0.03602000 0.07567000 {++} 0.00000000 0 0 0 {?} {?} 124.59234619 0.24829000 0.50958002 {++} 0.00000000 0 0 0 {?} 158 0.108 0.000 0.000 0 2 {?} {?} 7.10200977 0.03328000 0.07760000 {++} 0.00000000 0 0 0 {?} {?} 121.29873657 0.28959000 0.55466002 {++} 0.00000000 0 0 0 {?} 159 0.012 0.000 0.000 0 2 {?} {?} 7.08515978 0.03102000 0.03102000 {++} 0.00000000 0 0 0 {?} {?} 113.41272736 0.51080000 0.46746999 {++} 0.00000000 0 0 0 {?} 160 0.057 0.000 0.000 0 2 {?} {?} 7.08311987 0.03451000 0.06392000 {++} 0.00000000 0 0 0 {?} {?} 111.07150269 0.36837000 0.78763998 {++} 0.00000000 0 0 0 {?} 161 0.104 0.000 0.000 0 2 {?} {?} 7.06606007 0.03267000 0.11041000 {++} 0.00000000 0 0 0 {?} {?} 121.98676300 0.23470999 0.56619000 {++} 0.00000000 0 0 0 {?} 162 0.231 0.000 0.000 0 2 {?} {?} 7.00230980 0.02600000 0.05954000 {++} 0.00000000 0 0 0 {?} {?} 111.96074677 0.23773000 0.56208003 {++} 0.00000000 0 0 0 {?} 163 0.063 0.000 0.000 0 2 {?} {?} 6.98186016 0.04768000 0.09240000 {++} 0.00000000 0 0 0 {?} {?} 116.69972229 0.38938999 0.75615001 {++} 0.00000000 0 0 0 {?} 164 0.118 0.000 0.000 0 2 {?} {?} 6.97740984 0.02784000 0.06242000 {++} 0.00000000 0 0 0 {?} {?} 114.28914642 0.25237000 1.03898001 {P+} 0.00000000 0 0 0 {?} 165 0.045 0.000 0.000 0 2 {?} {?} 6.94825983 0.04288000 0.12067000 {++} 0.00000000 0 0 0 {?} {?} 116.37777710 0.44916001 0.65894997 {++} 0.00000000 0 0 0 {?} 166 0.113 0.000 0.000 0 2 {?} {?} 6.92364979 0.03855000 0.07815000 {P+} 0.00000000 0 0 0 {?} {?} 112.74288177 0.21718000 0.58090001 {++} 0.00000000 0 0 0 {?} 167 0.157 0.000 0.000 0 2 {?} {?} 6.88015985 0.03658000 0.05468000 {+P} 0.00000000 0 0 0 {?} {?} 112.85703278 0.24023999 0.74212998 {P+} 0.00000000 0 0 0 {?} 168 0.057 0.000 0.000 0 2 {?} {?} 6.76773977 0.03415000 0.07223000 {++} 0.00000000 0 0 0 {?} {?} 109.39920044 0.30996001 0.74212998 {P+} 0.00000000 0 0 0 {?} 169 0.024 0.000 0.000 0 2 {?} {?} 6.76249981 0.04589000 0.06563000 {++} 0.00000000 0 0 0 {?} {?} 117.41477203 0.43112999 0.58424002 {++} 0.00000000 0 0 0 {?} 170 0.075 0.000 0.000 0 2 {?} {?} 6.76338005 0.03969000 0.12415000 {P+} 0.00000000 0 0 0 {?} {?} 111.54160309 0.28996000 0.72551000 {+P} 0.00000000 0 0 0 {?} 171 0.020 0.000 0.000 0 2 {?} {?} 6.71824980 0.05397000 0.06661000 {++} 0.00000000 0 0 0 {?} {?} 119.68673706 0.45320001 0.61105001 {++} 0.00000000 0 0 0 {?} 172 0.018 0.000 0.000 0 2 {?} {?} 6.71492004 0.03788000 0.03905000 {+P} 0.00000000 0 0 0 {?} {?} 111.38577271 0.24659000 0.32400000 {++} 0.00000000 0 0 0 {?} 173 0.186 0.000 0.000 0 2 {?} {?} 6.70755005 0.03075000 0.06890000 {+P} 0.00000000 0 0 0 {?} {?} 111.95716095 0.25158000 0.56826001 {++} 0.00000000 0 0 0 {?} 174 0.037 0.000 0.000 0 2 {?} {?} 6.66259003 0.04336000 0.10154000 {P+} 0.00000000 0 0 0 {?} {?} 113.98639679 0.38521001 0.58822000 {++} 0.00000000 0 0 0 {?} 175 0.071 0.000 0.000 0 2 {?} {?} 6.52921009 0.04400000 0.08558000 {++} 0.00000000 0 0 0 {?} {?} 115.65345001 0.36008999 0.61123002 {++} 0.00000000 0 0 0 {?} 176 0.018 0.000 0.000 0 2 {?} {?} 6.35503006 0.05859000 0.07234000 {++} 0.00000000 0 0 0 {?} {?} 120.23181915 0.35025999 0.45297000 {++} 0.00000000 0 0 0 {?} 177 0.020 0.000 0.000 0 2 {?} {?} 6.20161009 0.04460000 0.06079000 {++} 0.00000000 0 0 0 {?} {?} 108.81668854 0.35619000 0.44850001 {++} 0.00000000 0 0 0 {?} stop_ ; loop_ _Spectral_dim.ID _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 2 H 1 H . 7682 . . . 16669 1 2 N 15 N . 2293 . . . 16669 1 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 1 $NMRView . . 16669 1 stop_ save_