data_16668 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16668 _Entry.Title ; GTPase RhoA-GDP ; _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-GDP 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 . . . 16668 2 Mitsu Ikura . . . 16668 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16668 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 479 16668 '15N chemical shifts' 152 16668 '1H chemical shifts' 270 16668 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' 16668 1 . . 2010-02-16 2009-01-07 original author 'original release' 16668 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 16669 RhoA-GTPgS 16668 stop_ save_ ############### # Citations # ############### save_RhoA-GDP _Citation.Sf_category citations _Citation.Sf_framecode RhoA-GDP _Citation.Entry_ID 16668 _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. . 16668 1 2 Christopher Marshall . B. . 16668 1 3 Melissa Cheung . . . 16668 1 4 Bryan Kim . . . 16668 1 5 Feng Wang . . . 16668 1 6 'Ying Ju' Jang . . . 16668 1 7 Tak Mak . W. . 16668 1 8 Vuk Stambolic . . . 16668 1 9 Mitsuhiko Ikura . . . 16668 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID GTPases 16668 1 NMR 16668 1 RhoA 16668 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16668 _Assembly.ID 1 _Assembly.Name 'RhoA-GDP 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 GDP-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 . . . 16668 1 2 nucleotide 2 $GDP B . no native no no . . . 16668 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID GTPase 16668 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_GTPase_RhoA _Entity.Sf_category entity _Entity.Sf_framecode GTPase_RhoA _Entity.Entry_ID 16668 _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 GDP _Entity.Nonpolymer_comp_label $chem_comp_GDP _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 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 16669 . GTPase_RhoA . . . . . 100.00 181 100.00 100.00 2.28e-130 . . . . 16668 1 2 no PDB 1A2B . "Human Rhoa Complexed With Gtp Analogue" . . . . . 100.00 182 99.45 99.45 3.12e-129 . . . . 16668 1 3 no PDB 1CC0 . "Crystal Structure Of The Rhoa.Gdp-Rhogdi Complex" . . . . . 100.00 190 99.45 99.45 7.61e-129 . . . . 16668 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 . . . . 16668 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 . . . . 16668 1 6 no PDB 1FTN . "Crystal Structure Of The Human RhoaGDP COMPLEX" . . . . . 100.00 193 99.45 99.45 5.00e-129 . . . . 16668 1 7 no PDB 1KMQ . "Crystal Structure Of A Constitutively Activated Rhoa Mutant (Q63l)" . . . . . 99.45 184 97.78 98.33 1.47e-125 . . . . 16668 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 . . . . 16668 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 . . . . 16668 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 . . . . 16668 1 11 no PDB 1TX4 . "RhoRHOGAPGDP(DOT)ALF4 COMPLEX" . . . . . 97.79 177 99.44 99.44 6.66e-126 . . . . 16668 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 . . . . 16668 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 . . . . 16668 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 . . . . 16668 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 . . . . 16668 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 . . . . 16668 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 . . . . 16668 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 . . . . 16668 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 . . . . 16668 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 . . . . 16668 1 21 no PDB 3TVD . "Crystal Structure Of Mouse Rhoa-gtp Complex" . . . . . 100.00 193 100.00 100.00 2.85e-130 . . . . 16668 1 22 no PDB 4D0N . "Akap13 (akap-lbc) Rhogef Domain In Complex With Rhoa" . . . . . 100.00 185 100.00 100.00 2.16e-130 . . . . 16668 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 . . . . 16668 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 . . . . 16668 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 . . . . 16668 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 . . . . 16668 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 . . . . 16668 1 28 no PDB 5A0F . "Crystal Structure Of Yersinia Afp18-modified Rhoa" . . . . . 100.00 181 100.00 100.00 2.28e-130 . . . . 16668 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 . . . . 16668 1 30 no DBJ BAA20863 . "RhoA [Rattus norvegicus]" . . . . . 94.48 174 100.00 100.00 4.58e-123 . . . . 16668 1 31 no DBJ BAC36896 . "unnamed protein product [Mus musculus]" . . . . . 100.00 193 100.00 100.00 2.85e-130 . . . . 16668 1 32 no DBJ BAC38971 . "unnamed protein product [Mus musculus]" . . . . . 100.00 193 100.00 100.00 2.85e-130 . . . . 16668 1 33 no DBJ BAC99017 . "Raichu-1237X [synthetic construct]" . . . . . 100.00 777 100.00 100.00 1.69e-124 . . . . 16668 1 34 no DBJ BAD96276 . "ras homolog gene family, member A variant [Homo sapiens]" . . . . . 100.00 193 99.45 99.45 1.11e-129 . . . . 16668 1 35 no EMBL CAA28690 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 193 100.00 100.00 2.56e-130 . . . . 16668 1 36 no EMBL CAA39802 . "rho1 [Canis lupus familiaris]" . . . . . 100.00 193 99.45 99.45 1.73e-129 . . . . 16668 1 37 no EMBL CAC08447 . "RhoA GTPase [Gallus gallus]" . . . . . 100.00 193 100.00 100.00 2.76e-130 . . . . 16668 1 38 no EMBL CAC28868 . "rho GTPase, partial [Platichthys flesus]" . . . . . 70.17 127 98.43 100.00 9.64e-87 . . . . 16668 1 39 no EMBL CAE46190 . "hypothetical protein [Homo sapiens]" . . . . . 100.00 193 100.00 100.00 2.56e-130 . . . . 16668 1 40 no GB AAA30409 . "rho (Gb) protein [Bos taurus]" . . . . . 100.00 193 100.00 100.00 2.56e-130 . . . . 16668 1 41 no GB AAA50612 . "multidrug resistance protein, partial [Homo sapiens]" . . . . . 97.79 189 100.00 100.00 3.49e-127 . . . . 16668 1 42 no GB AAC18962 . "GTPase cRhoA [Gallus gallus]" . . . . . 100.00 193 100.00 100.00 2.76e-130 . . . . 16668 1 43 no GB AAC23710 . "Rho family GTPase [Mus musculus]" . . . . . 100.00 193 99.45 99.45 1.08e-128 . . . . 16668 1 44 no GB AAC33178 . "GTP-binding protein [Homo sapiens]" . . . . . 100.00 193 100.00 100.00 2.56e-130 . . . . 16668 1 45 no REF NP_001003273 . "transforming protein RhoA precursor [Canis lupus familiaris]" . . . . . 100.00 193 100.00 100.00 2.56e-130 . . . . 16668 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 . . . . 16668 1 47 no REF NP_001038815 . "transforming protein RhoA [Danio rerio]" . . . . . 100.00 193 97.79 98.34 7.48e-127 . . . . 16668 1 48 no REF NP_001079729 . "ras homolog family member A [Xenopus laevis]" . . . . . 100.00 193 97.79 98.90 5.42e-128 . . . . 16668 1 49 no REF NP_001080441 . "ras homolog family member A [Xenopus laevis]" . . . . . 100.00 193 97.24 98.34 4.67e-127 . . . . 16668 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 . . . . 16668 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 . . . . 16668 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 . . . . 16668 1 53 no SP P61589 . "RecName: Full=Transforming protein RhoA; Flags: Precursor" . . . . . 100.00 193 100.00 100.00 2.85e-130 . . . . 16668 1 54 no SP Q5REY6 . "RecName: Full=Transforming protein RhoA; Flags: Precursor" . . . . . 100.00 193 100.00 100.00 2.56e-130 . . . . 16668 1 55 no TPG DAA16889 . "TPA: transforming protein RhoA precursor [Bos taurus]" . . . . . 100.00 193 100.00 100.00 2.56e-130 . . . . 16668 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID GTPase 16668 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 . 16668 1 2 . ALA . 16668 1 3 . ALA . 16668 1 4 . ILE . 16668 1 5 . ARG . 16668 1 6 . LYS . 16668 1 7 . LYS . 16668 1 8 . LEU . 16668 1 9 . VAL . 16668 1 10 . ILE . 16668 1 11 . VAL . 16668 1 12 . GLY . 16668 1 13 . ASP . 16668 1 14 . GLY . 16668 1 15 . ALA . 16668 1 16 . CYS . 16668 1 17 . GLY . 16668 1 18 . LYS . 16668 1 19 . THR . 16668 1 20 . CYS . 16668 1 21 . LEU . 16668 1 22 . LEU . 16668 1 23 . ILE . 16668 1 24 . VAL . 16668 1 25 . PHE . 16668 1 26 . SER . 16668 1 27 . LYS . 16668 1 28 . ASP . 16668 1 29 . GLN . 16668 1 30 . PHE . 16668 1 31 . PRO . 16668 1 32 . GLU . 16668 1 33 . VAL . 16668 1 34 . TYR . 16668 1 35 . VAL . 16668 1 36 . PRO . 16668 1 37 . THR . 16668 1 38 . VAL . 16668 1 39 . PHE . 16668 1 40 . GLU . 16668 1 41 . ASN . 16668 1 42 . TYR . 16668 1 43 . VAL . 16668 1 44 . ALA . 16668 1 45 . ASP . 16668 1 46 . ILE . 16668 1 47 . GLU . 16668 1 48 . VAL . 16668 1 49 . ASP . 16668 1 50 . GLY . 16668 1 51 . LYS . 16668 1 52 . GLN . 16668 1 53 . VAL . 16668 1 54 . GLU . 16668 1 55 . LEU . 16668 1 56 . ALA . 16668 1 57 . LEU . 16668 1 58 . TRP . 16668 1 59 . ASP . 16668 1 60 . THR . 16668 1 61 . ALA . 16668 1 62 . GLY . 16668 1 63 . GLN . 16668 1 64 . GLU . 16668 1 65 . ASP . 16668 1 66 . TYR . 16668 1 67 . ASP . 16668 1 68 . ARG . 16668 1 69 . LEU . 16668 1 70 . ARG . 16668 1 71 . PRO . 16668 1 72 . LEU . 16668 1 73 . SER . 16668 1 74 . TYR . 16668 1 75 . PRO . 16668 1 76 . ASP . 16668 1 77 . THR . 16668 1 78 . ASP . 16668 1 79 . VAL . 16668 1 80 . ILE . 16668 1 81 . LEU . 16668 1 82 . MET . 16668 1 83 . CYS . 16668 1 84 . PHE . 16668 1 85 . SER . 16668 1 86 . ILE . 16668 1 87 . ASP . 16668 1 88 . SER . 16668 1 89 . PRO . 16668 1 90 . ASP . 16668 1 91 . SER . 16668 1 92 . LEU . 16668 1 93 . GLU . 16668 1 94 . ASN . 16668 1 95 . ILE . 16668 1 96 . PRO . 16668 1 97 . GLU . 16668 1 98 . LYS . 16668 1 99 . TRP . 16668 1 100 . THR . 16668 1 101 . PRO . 16668 1 102 . GLU . 16668 1 103 . VAL . 16668 1 104 . LYS . 16668 1 105 . HIS . 16668 1 106 . PHE . 16668 1 107 . CYS . 16668 1 108 . PRO . 16668 1 109 . ASN . 16668 1 110 . VAL . 16668 1 111 . PRO . 16668 1 112 . ILE . 16668 1 113 . ILE . 16668 1 114 . LEU . 16668 1 115 . VAL . 16668 1 116 . GLY . 16668 1 117 . ASN . 16668 1 118 . LYS . 16668 1 119 . LYS . 16668 1 120 . ASP . 16668 1 121 . LEU . 16668 1 122 . ARG . 16668 1 123 . ASN . 16668 1 124 . ASP . 16668 1 125 . GLU . 16668 1 126 . HIS . 16668 1 127 . THR . 16668 1 128 . ARG . 16668 1 129 . ARG . 16668 1 130 . GLU . 16668 1 131 . LEU . 16668 1 132 . ALA . 16668 1 133 . LYS . 16668 1 134 . MET . 16668 1 135 . LYS . 16668 1 136 . GLN . 16668 1 137 . GLU . 16668 1 138 . PRO . 16668 1 139 . VAL . 16668 1 140 . LYS . 16668 1 141 . PRO . 16668 1 142 . GLU . 16668 1 143 . GLU . 16668 1 144 . GLY . 16668 1 145 . ARG . 16668 1 146 . ASP . 16668 1 147 . MET . 16668 1 148 . ALA . 16668 1 149 . ASN . 16668 1 150 . ARG . 16668 1 151 . ILE . 16668 1 152 . GLY . 16668 1 153 . ALA . 16668 1 154 . PHE . 16668 1 155 . GLY . 16668 1 156 . TYR . 16668 1 157 . MET . 16668 1 158 . GLU . 16668 1 159 . CYS . 16668 1 160 . SER . 16668 1 161 . ALA . 16668 1 162 . LYS . 16668 1 163 . THR . 16668 1 164 . LYS . 16668 1 165 . ASP . 16668 1 166 . GLY . 16668 1 167 . VAL . 16668 1 168 . ARG . 16668 1 169 . GLU . 16668 1 170 . VAL . 16668 1 171 . PHE . 16668 1 172 . GLU . 16668 1 173 . MET . 16668 1 174 . ALA . 16668 1 175 . THR . 16668 1 176 . ARG . 16668 1 177 . ALA . 16668 1 178 . ALA . 16668 1 179 . LEU . 16668 1 180 . GLN . 16668 1 181 . ALA . 16668 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 16668 1 . ALA 2 2 16668 1 . ALA 3 3 16668 1 . ILE 4 4 16668 1 . ARG 5 5 16668 1 . LYS 6 6 16668 1 . LYS 7 7 16668 1 . LEU 8 8 16668 1 . VAL 9 9 16668 1 . ILE 10 10 16668 1 . VAL 11 11 16668 1 . GLY 12 12 16668 1 . ASP 13 13 16668 1 . GLY 14 14 16668 1 . ALA 15 15 16668 1 . CYS 16 16 16668 1 . GLY 17 17 16668 1 . LYS 18 18 16668 1 . THR 19 19 16668 1 . CYS 20 20 16668 1 . LEU 21 21 16668 1 . LEU 22 22 16668 1 . ILE 23 23 16668 1 . VAL 24 24 16668 1 . PHE 25 25 16668 1 . SER 26 26 16668 1 . LYS 27 27 16668 1 . ASP 28 28 16668 1 . GLN 29 29 16668 1 . PHE 30 30 16668 1 . PRO 31 31 16668 1 . GLU 32 32 16668 1 . VAL 33 33 16668 1 . TYR 34 34 16668 1 . VAL 35 35 16668 1 . PRO 36 36 16668 1 . THR 37 37 16668 1 . VAL 38 38 16668 1 . PHE 39 39 16668 1 . GLU 40 40 16668 1 . ASN 41 41 16668 1 . TYR 42 42 16668 1 . VAL 43 43 16668 1 . ALA 44 44 16668 1 . ASP 45 45 16668 1 . ILE 46 46 16668 1 . GLU 47 47 16668 1 . VAL 48 48 16668 1 . ASP 49 49 16668 1 . GLY 50 50 16668 1 . LYS 51 51 16668 1 . GLN 52 52 16668 1 . VAL 53 53 16668 1 . GLU 54 54 16668 1 . LEU 55 55 16668 1 . ALA 56 56 16668 1 . LEU 57 57 16668 1 . TRP 58 58 16668 1 . ASP 59 59 16668 1 . THR 60 60 16668 1 . ALA 61 61 16668 1 . GLY 62 62 16668 1 . GLN 63 63 16668 1 . GLU 64 64 16668 1 . ASP 65 65 16668 1 . TYR 66 66 16668 1 . ASP 67 67 16668 1 . ARG 68 68 16668 1 . LEU 69 69 16668 1 . ARG 70 70 16668 1 . PRO 71 71 16668 1 . LEU 72 72 16668 1 . SER 73 73 16668 1 . TYR 74 74 16668 1 . PRO 75 75 16668 1 . ASP 76 76 16668 1 . THR 77 77 16668 1 . ASP 78 78 16668 1 . VAL 79 79 16668 1 . ILE 80 80 16668 1 . LEU 81 81 16668 1 . MET 82 82 16668 1 . CYS 83 83 16668 1 . PHE 84 84 16668 1 . SER 85 85 16668 1 . ILE 86 86 16668 1 . ASP 87 87 16668 1 . SER 88 88 16668 1 . PRO 89 89 16668 1 . ASP 90 90 16668 1 . SER 91 91 16668 1 . LEU 92 92 16668 1 . GLU 93 93 16668 1 . ASN 94 94 16668 1 . ILE 95 95 16668 1 . PRO 96 96 16668 1 . GLU 97 97 16668 1 . LYS 98 98 16668 1 . TRP 99 99 16668 1 . THR 100 100 16668 1 . PRO 101 101 16668 1 . GLU 102 102 16668 1 . VAL 103 103 16668 1 . LYS 104 104 16668 1 . HIS 105 105 16668 1 . PHE 106 106 16668 1 . CYS 107 107 16668 1 . PRO 108 108 16668 1 . ASN 109 109 16668 1 . VAL 110 110 16668 1 . PRO 111 111 16668 1 . ILE 112 112 16668 1 . ILE 113 113 16668 1 . LEU 114 114 16668 1 . VAL 115 115 16668 1 . GLY 116 116 16668 1 . ASN 117 117 16668 1 . LYS 118 118 16668 1 . LYS 119 119 16668 1 . ASP 120 120 16668 1 . LEU 121 121 16668 1 . ARG 122 122 16668 1 . ASN 123 123 16668 1 . ASP 124 124 16668 1 . GLU 125 125 16668 1 . HIS 126 126 16668 1 . THR 127 127 16668 1 . ARG 128 128 16668 1 . ARG 129 129 16668 1 . GLU 130 130 16668 1 . LEU 131 131 16668 1 . ALA 132 132 16668 1 . LYS 133 133 16668 1 . MET 134 134 16668 1 . LYS 135 135 16668 1 . GLN 136 136 16668 1 . GLU 137 137 16668 1 . PRO 138 138 16668 1 . VAL 139 139 16668 1 . LYS 140 140 16668 1 . PRO 141 141 16668 1 . GLU 142 142 16668 1 . GLU 143 143 16668 1 . GLY 144 144 16668 1 . ARG 145 145 16668 1 . ASP 146 146 16668 1 . MET 147 147 16668 1 . ALA 148 148 16668 1 . ASN 149 149 16668 1 . ARG 150 150 16668 1 . ILE 151 151 16668 1 . GLY 152 152 16668 1 . ALA 153 153 16668 1 . PHE 154 154 16668 1 . GLY 155 155 16668 1 . TYR 156 156 16668 1 . MET 157 157 16668 1 . GLU 158 158 16668 1 . CYS 159 159 16668 1 . SER 160 160 16668 1 . ALA 161 161 16668 1 . LYS 162 162 16668 1 . THR 163 163 16668 1 . LYS 164 164 16668 1 . ASP 165 165 16668 1 . GLY 166 166 16668 1 . VAL 167 167 16668 1 . ARG 168 168 16668 1 . GLU 169 169 16668 1 . VAL 170 170 16668 1 . PHE 171 171 16668 1 . GLU 172 172 16668 1 . MET 173 173 16668 1 . ALA 174 174 16668 1 . THR 175 175 16668 1 . ARG 176 176 16668 1 . ALA 177 177 16668 1 . ALA 178 178 16668 1 . LEU 179 179 16668 1 . GLN 180 180 16668 1 . ALA 181 181 16668 1 stop_ save_ save_GDP _Entity.Sf_category entity _Entity.Sf_framecode GDP _Entity.Entry_ID 16668 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name GDP _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID GDP _Entity.Nonpolymer_comp_label $chem_comp_GDP _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 . GDP . 16668 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 16668 _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 . . . . . . . . . . . . . . . . . . . . . 16668 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 16668 _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 . . . . . . 16668 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_GDP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_GDP _Chem_comp.Entry_ID 16668 _Chem_comp.ID GDP _Chem_comp.Provenance . _Chem_comp.Name GUANOSINE-5'-DIPHOSPHATE _Chem_comp.Type 'RNA LINKING' _Chem_comp.BMRB_code . _Chem_comp.PDB_code GDP _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code G _Chem_comp.Three_letter_code GDP _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID G _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C10 H15 N5 O11 P2' _Chem_comp.Formula_weight 443.201 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1EK0 _Chem_comp.Processing_site EBI _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Nov 18 15:00:07 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N SMILES 'OpenEye OEToolkits' 1.5.0 16668 GDP c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 16668 GDP InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1 InChI InChI 1.03 16668 GDP NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O SMILES_CANONICAL CACTVS 3.341 16668 GDP NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O SMILES CACTVS 3.341 16668 GDP O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O SMILES ACDLabs 10.04 16668 GDP QGWNDRXFNXRZMB-UUOKFMHZSA-N InChIKey InChI 1.03 16668 GDP stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 16668 GDP 'guanosine 5'-(trihydrogen diphosphate)' 'SYSTEMATIC NAME' ACDLabs 10.04 16668 GDP stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID PB . PB . . P . . N 0 . . . . no no . . . . 13.635 . 17.027 . 28.402 . -1.117 -0.328 5.957 1 . 16668 GDP O1B . O1B . . O . . N 0 . . . . no no . . . . 14.317 . 18.299 . 28.131 . -1.702 1.023 5.810 2 . 16668 GDP O2B . O2B . . O . . N 0 . . . . no no . . . . 14.465 . 15.868 . 28.851 . -2.120 -1.258 6.805 3 . 16668 GDP O3B . O3B . . O . . N 0 . . . . no no . . . . 12.657 . 17.014 . 29.609 . 0.294 -0.221 6.725 4 . 16668 GDP O3A . O3A . . O . . N 0 . . . . no no . . . . 13.031 . 16.438 . 26.904 . -0.887 -0.974 4.500 5 . 16668 GDP PA . PA . . P . . S 0 . . . . no no . . . . 12.164 . 17.382 . 25.843 . 0.120 0.001 3.711 6 . 16668 GDP O1A . O1A . . O . . N 0 . . . . no no . . . . 11.308 . 16.310 . 25.239 . -0.484 1.348 3.599 7 . 16668 GDP O2A . O2A . . O . . N 0 . . . . no no . . . . 11.654 . 18.737 . 26.082 . 1.510 0.102 4.517 8 . 16668 GDP O5' . O5' . . O . . N 0 . . . . no no . . . . 13.417 . 17.470 . 24.852 . 0.394 -0.587 2.238 9 . 16668 GDP C5' . C5' . . C . . N 0 . . . . no no . . . . 14.543 . 18.324 . 25.037 . 1.291 0.319 1.591 10 . 16668 GDP C4' . C4' . . C . . R 0 . . . . no no . . . . 15.043 . 18.710 . 23.648 . 1.595 -0.185 0.179 11 . 16668 GDP O4' . O4' . . O . . N 0 . . . . no no . . . . 15.183 . 17.536 . 22.793 . 0.383 -0.244 -0.604 12 . 16668 GDP C3' . C3' . . C . . S 0 . . . . no no . . . . 13.926 . 19.400 . 22.829 . 2.500 0.818 -0.568 13 . 16668 GDP O3' . O3' . . O . . N 0 . . . . no no . . . . 14.002 . 20.787 . 23.226 . 3.865 0.398 -0.512 14 . 16668 GDP C2' . C2' . . C . . R 0 . . . . no no . . . . 14.511 . 19.303 . 21.406 . 1.981 0.780 -2.024 15 . 16668 GDP O2' . O2' . . O . . N 0 . . . . no no . . . . 15.627 . 20.165 . 21.220 . 3.010 0.339 -2.912 16 . 16668 GDP C1' . C1' . . C . . R 0 . . . . no no . . . . 15.015 . 17.874 . 21.438 . 0.820 -0.238 -1.981 17 . 16668 GDP N9 . N9 . . N . . N 0 . . . . yes no . . . . 13.968 . 16.928 . 20.922 . -0.269 0.191 -2.860 18 . 16668 GDP C8 . C8 . . C . . N 0 . . . . yes no . . . . 13.129 . 16.056 . 21.555 . -1.309 1.006 -2.517 19 . 16668 GDP N7 . N7 . . N . . N 0 . . . . yes no . . . . 12.358 . 15.405 . 20.737 . -2.090 1.179 -3.543 20 . 16668 GDP C5 . C5 . . C . . N 0 . . . . yes no . . . . 12.701 . 15.869 . 19.474 . -1.600 0.488 -4.601 21 . 16668 GDP C6 . C6 . . C . . N 0 . . . . no no . . . . 12.214 . 15.545 . 18.183 . -2.019 0.310 -5.941 22 . 16668 GDP O6 . O6 . . O . . N 0 . . . . no no . . . . 11.326 . 14.728 . 17.882 . -3.032 0.847 -6.355 23 . 16668 GDP N1 . N1 . . N . . N 0 . . . . no no . . . . 12.870 . 16.282 . 17.187 . -1.266 -0.465 -6.751 24 . 16668 GDP C2 . C2 . . C . . N 0 . . . . no no . . . . 13.858 . 17.205 . 17.402 . -0.138 -1.065 -6.276 25 . 16668 GDP N2 . N2 . . N . . N 0 . . . . no no . . . . 14.348 . 17.795 . 16.316 . 0.603 -1.852 -7.120 26 . 16668 GDP N3 . N3 . . N . . N 0 . . . . no no . . . . 14.329 . 17.524 . 18.614 . 0.261 -0.908 -5.034 27 . 16668 GDP C4 . C4 . . C . . N 0 . . . . yes no . . . . 13.701 . 16.819 . 19.565 . -0.430 -0.150 -4.175 28 . 16668 GDP HOB2 . HOB2 . . H . . N 0 . . . . no no . . . . 14.023 . 15.045 . 29.026 . -2.230 -0.837 7.668 29 . 16668 GDP HOB3 . HOB3 . . H . . N 0 . . . . no no . . . . 12.215 . 16.191 . 29.784 . 0.640 -1.121 6.799 30 . 16668 GDP HOA2 . HOA2 . . H . . N 0 . . . . no no . . . . 11.159 . 19.276 . 25.476 . 1.869 -0.793 4.567 31 . 16668 GDP H5' . H5' . . H . . N 0 . . . . no no . . . . 14.323 . 19.205 . 25.683 . 2.217 0.382 2.162 32 . 16668 GDP H5'' . H5'' . . H . . N 0 . . . . no no . . . . 15.335 . 17.871 . 25.677 . 0.831 1.305 1.534 33 . 16668 GDP H4' . H4' . . H . . N 0 . . . . no no . . . . 15.966 . 19.302 . 23.846 . 2.068 -1.166 0.221 34 . 16668 GDP H3' . H3' . . H . . N 0 . . . . no no . . . . 12.892 . 18.995 . 22.935 . 2.392 1.817 -0.148 35 . 16668 GDP HO3' . HO3' . . H . . N 0 . . . . no yes . . . . 13.316 . 21.210 . 22.723 . 4.381 1.059 -0.993 36 . 16668 GDP H2' . H2' . . H . . N 0 . . . . no no . . . . 13.784 . 19.572 . 20.604 . 1.614 1.762 -2.324 37 . 16668 GDP HO2' . HO2' . . H . . N 0 . . . . no no . . . . 15.987 . 20.105 . 20.343 . 3.728 0.983 -2.849 38 . 16668 GDP H1' . H1' . . H . . N 0 . . . . no no . . . . 15.944 . 17.799 . 20.826 . 1.173 -1.227 -2.271 39 . 16668 GDP H8 . H8 . . H . . N 0 . . . . no no . . . . 13.078 . 15.890 . 22.644 . -1.460 1.442 -1.541 40 . 16668 GDP HN1 . HN1 . . H . . N 0 . . . . no no . . . . 12.603 . 16.132 . 16.213 . -1.533 -0.602 -7.674 41 . 16668 GDP HN21 . HN21 . . H . . N 0 . . . . no no . . . . 15.084 . 18.482 . 16.476 . 1.410 -2.283 -6.798 42 . 16668 GDP HN22 . HN22 . . H . . N 0 . . . . no no . . . . 13.590 . 18.216 . 15.778 . 0.319 -1.981 -8.039 43 . 16668 GDP stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB PB O1B no N 1 . 16668 GDP 2 . SING PB O2B no N 2 . 16668 GDP 3 . SING PB O3B no N 3 . 16668 GDP 4 . SING PB O3A no N 4 . 16668 GDP 5 . SING O2B HOB2 no N 5 . 16668 GDP 6 . SING O3B HOB3 no N 6 . 16668 GDP 7 . SING O3A PA no N 7 . 16668 GDP 8 . DOUB PA O1A no N 8 . 16668 GDP 9 . SING PA O2A no N 9 . 16668 GDP 10 . SING PA O5' no N 10 . 16668 GDP 11 . SING O2A HOA2 no N 11 . 16668 GDP 12 . SING O5' C5' no N 12 . 16668 GDP 13 . SING C5' C4' no N 13 . 16668 GDP 14 . SING C5' H5' no N 14 . 16668 GDP 15 . SING C5' H5'' no N 15 . 16668 GDP 16 . SING C4' O4' no N 16 . 16668 GDP 17 . SING C4' C3' no N 17 . 16668 GDP 18 . SING C4' H4' no N 18 . 16668 GDP 19 . SING O4' C1' no N 19 . 16668 GDP 20 . SING C3' O3' no N 20 . 16668 GDP 21 . SING C3' C2' no N 21 . 16668 GDP 22 . SING C3' H3' no N 22 . 16668 GDP 23 . SING O3' HO3' no N 23 . 16668 GDP 24 . SING C2' O2' no N 24 . 16668 GDP 25 . SING C2' C1' no N 25 . 16668 GDP 26 . SING C2' H2' no N 26 . 16668 GDP 27 . SING O2' HO2' no N 27 . 16668 GDP 28 . SING C1' N9 no N 28 . 16668 GDP 29 . SING C1' H1' no N 29 . 16668 GDP 30 . SING N9 C8 yes N 30 . 16668 GDP 31 . SING N9 C4 yes N 31 . 16668 GDP 32 . DOUB C8 N7 yes N 32 . 16668 GDP 33 . SING C8 H8 no N 33 . 16668 GDP 34 . SING N7 C5 yes N 34 . 16668 GDP 35 . SING C5 C6 no N 35 . 16668 GDP 36 . DOUB C5 C4 yes N 36 . 16668 GDP 37 . DOUB C6 O6 no N 37 . 16668 GDP 38 . SING C6 N1 no N 38 . 16668 GDP 39 . SING N1 C2 no N 39 . 16668 GDP 40 . SING N1 HN1 no N 40 . 16668 GDP 41 . SING C2 N2 no N 41 . 16668 GDP 42 . DOUB C2 N3 no N 42 . 16668 GDP 43 . SING N2 HN21 no N 43 . 16668 GDP 44 . SING N2 HN22 no N 44 . 16668 GDP 45 . SING N3 C4 no N 45 . 16668 GDP stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16668 _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 . . . . 16668 1 2 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16668 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16668 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 16668 _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 16668 1 pH 7.0 . pH 16668 1 pressure 1 . atm 16668 1 temperature 293 . K 16668 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 16668 _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' . . 16668 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16668 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16668 _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' . . 16668 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16668 2 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 16668 _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' . . 16668 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16668 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 16668 _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 16668 _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 16668 _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 . . . 16668 1 2 spectrometer_2 Bruker Avance . 800 . . . 16668 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 16668 _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 . . . . . . . . . . . . . . . . 16668 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16668 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16668 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16668 1 5 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16668 1 6 '3D HNHA' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16668 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16668 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 16668 _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 . . . 1 $RhoA-GDP . . 1 $RhoA-GDP 16668 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . 1 $RhoA-GDP . . 1 $RhoA-GDP 16668 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . 1 $RhoA-GDP . . 1 $RhoA-GDP 16668 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16668 _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' . . . 16668 1 2 '3D CBCA(CO)NH' . . . 16668 1 3 '3D HNCACB' . . . 16668 1 4 '3D HNCO' . . . 16668 1 5 '3D HN(CA)CO' . . . 16668 1 6 '3D HNHA' . . . 16668 1 7 '3D 1H-15N NOESY' . . . 16668 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $NMRView . . 16668 1 2 $NMRPipe . . 16668 1 3 $NMRDraw . . 16668 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 8.340 . . 1 . . . . 1 MET H . 16668 1 2 . 1 1 1 1 MET HA H 1 4.410 . . 1 . . . . 1 MET HA . 16668 1 3 . 1 1 1 1 MET C C 13 175.360 . . 1 . . . . 1 MET C . 16668 1 4 . 1 1 1 1 MET CA C 13 55.700 . . 1 . . . . 1 MET CA . 16668 1 5 . 1 1 1 1 MET CB C 13 33.170 . . 1 . . . . 1 MET CB . 16668 1 6 . 1 1 1 1 MET N N 15 122.240 . . 1 . . . . 1 MET N . 16668 1 7 . 1 1 2 2 ALA H H 1 8.360 . . 1 . . . . 2 ALA HN . 16668 1 8 . 1 1 2 2 ALA C C 13 177.040 . . 1 . . . . 2 ALA C . 16668 1 9 . 1 1 2 2 ALA CA C 13 52.130 . . 1 . . . . 2 ALA CA . 16668 1 10 . 1 1 2 2 ALA CB C 13 19.300 . . 1 . . . . 2 ALA CB . 16668 1 11 . 1 1 2 2 ALA N N 15 125.330 . . 1 . . . . 2 ALA N . 16668 1 12 . 1 1 3 3 ALA H H 1 8.240 . . 1 . . . . 3 ALA HN . 16668 1 13 . 1 1 3 3 ALA HA H 1 4.330 . . 1 . . . . 3 ALA HA . 16668 1 14 . 1 1 3 3 ALA C C 13 177.450 . . 1 . . . . 3 ALA C . 16668 1 15 . 1 1 3 3 ALA CA C 13 52.060 . . 1 . . . . 3 ALA CA . 16668 1 16 . 1 1 3 3 ALA CB C 13 19.700 . . 1 . . . . 3 ALA CB . 16668 1 17 . 1 1 3 3 ALA N N 15 123.510 . . 1 . . . . 3 ALA N . 16668 1 18 . 1 1 4 4 ILE H H 1 8.230 . . 1 . . . . 4 ILE HN . 16668 1 19 . 1 1 4 4 ILE HA H 1 4.080 . . 1 . . . . 4 ILE HA . 16668 1 20 . 1 1 4 4 ILE C C 13 174.270 . . 1 . . . . 4 ILE C . 16668 1 21 . 1 1 4 4 ILE CA C 13 60.850 . . 1 . . . . 4 ILE CA . 16668 1 22 . 1 1 4 4 ILE CB C 13 39.840 . . 1 . . . . 4 ILE CB . 16668 1 23 . 1 1 4 4 ILE N N 15 122.240 . . 1 . . . . 4 ILE N . 16668 1 24 . 1 1 5 5 ARG H H 1 8.570 . . 1 . . . . 5 ARG HN . 16668 1 25 . 1 1 5 5 ARG HA H 1 5.410 . . 1 . . . . 5 ARG HA . 16668 1 26 . 1 1 5 5 ARG C C 13 176.200 . . 1 . . . . 5 ARG C . 16668 1 27 . 1 1 5 5 ARG CA C 13 54.940 . . 1 . . . . 5 ARG CA . 16668 1 28 . 1 1 5 5 ARG CB C 13 31.440 . . 1 . . . . 5 ARG CB . 16668 1 29 . 1 1 5 5 ARG N N 15 128.250 . . 1 . . . . 5 ARG N . 16668 1 30 . 1 1 6 6 LYS H H 1 8.800 . . 1 . . . . 6 LYS HN . 16668 1 31 . 1 1 6 6 LYS HA H 1 5.050 . . 1 . . . . 6 LYS HA . 16668 1 32 . 1 1 6 6 LYS C C 13 173.750 . . 1 . . . . 6 LYS C . 16668 1 33 . 1 1 6 6 LYS CA C 13 52.150 . . 1 . . . . 6 LYS CA . 16668 1 34 . 1 1 6 6 LYS CB C 13 36.690 . . 1 . . . . 6 LYS CB . 16668 1 35 . 1 1 6 6 LYS N N 15 123.700 . . 1 . . . . 6 LYS N . 16668 1 36 . 1 1 7 7 LYS H H 1 10.580 . . 1 . . . . 7 LYS HN . 16668 1 37 . 1 1 7 7 LYS HA H 1 4.990 . . 1 . . . . 7 LYS HA . 16668 1 38 . 1 1 7 7 LYS C C 13 173.800 . . 1 . . . . 7 LYS C . 16668 1 39 . 1 1 7 7 LYS CA C 13 55.860 . . 1 . . . . 7 LYS CA . 16668 1 40 . 1 1 7 7 LYS CB C 13 34.410 . . 1 . . . . 7 LYS CB . 16668 1 41 . 1 1 7 7 LYS N N 15 125.120 . . 1 . . . . 7 LYS N . 16668 1 42 . 1 1 8 8 LEU H H 1 9.450 . . 1 . . . . 8 LEU HN . 16668 1 43 . 1 1 8 8 LEU HA H 1 5.450 . . 1 . . . . 8 LEU HA . 16668 1 44 . 1 1 8 8 LEU C C 13 174.240 . . 1 . . . . 8 LEU C . 16668 1 45 . 1 1 8 8 LEU CA C 13 53.730 . . 1 . . . . 8 LEU CA . 16668 1 46 . 1 1 8 8 LEU CB C 13 45.960 . . 1 . . . . 8 LEU CB . 16668 1 47 . 1 1 8 8 LEU N N 15 133.770 . . 1 . . . . 8 LEU N . 16668 1 48 . 1 1 9 9 VAL H H 1 8.010 . . 1 . . . . 9 VAL HN . 16668 1 49 . 1 1 9 9 VAL HA H 1 5.200 . . 1 . . . . 9 VAL HA . 16668 1 50 . 1 1 9 9 VAL C C 13 173.600 . . 1 . . . . 9 VAL C . 16668 1 51 . 1 1 9 9 VAL CA C 13 60.500 . . 1 . . . . 9 VAL CA . 16668 1 52 . 1 1 9 9 VAL CB C 13 35.310 . . 1 . . . . 9 VAL CB . 16668 1 53 . 1 1 9 9 VAL N N 15 125.880 . . 1 . . . . 9 VAL N . 16668 1 54 . 1 1 10 10 ILE H H 1 8.150 . . 1 . . . . 10 ILE HN . 16668 1 55 . 1 1 10 10 ILE HA H 1 5.430 . . 1 . . . . 10 ILE HA . 16668 1 56 . 1 1 10 10 ILE C C 13 172.620 . . 1 . . . . 10 ILE C . 16668 1 57 . 1 1 10 10 ILE CA C 13 57.350 . . 1 . . . . 10 ILE CA . 16668 1 58 . 1 1 10 10 ILE CB C 13 42.550 . . 1 . . . . 10 ILE CB . 16668 1 59 . 1 1 10 10 ILE N N 15 126.960 . . 1 . . . . 10 ILE N . 16668 1 60 . 1 1 11 11 VAL H H 1 8.640 . . 1 . . . . 11 VAL HN . 16668 1 61 . 1 1 11 11 VAL C C 13 173.500 . . 1 . . . . 11 VAL C . 16668 1 62 . 1 1 11 11 VAL CA C 13 58.220 . . 1 . . . . 11 VAL CA . 16668 1 63 . 1 1 11 11 VAL N N 15 116.920 . . 1 . . . . 11 VAL N . 16668 1 64 . 1 1 12 12 GLY H H 1 6.380 . . 1 . . . . 12 GLY HN . 16668 1 65 . 1 1 12 12 GLY C C 13 173.010 . . 1 . . . . 12 GLY C . 16668 1 66 . 1 1 12 12 GLY CA C 13 43.100 . . 1 . . . . 12 GLY CA . 16668 1 67 . 1 1 12 12 GLY N N 15 106.480 . . 1 . . . . 12 GLY N . 16668 1 68 . 1 1 13 13 ASP H H 1 8.770 . . 1 . . . . 13 ASP HN . 16668 1 69 . 1 1 13 13 ASP C C 13 177.690 . . 1 . . . . 13 ASP C . 16668 1 70 . 1 1 13 13 ASP CA C 13 56.410 . . 1 . . . . 13 ASP CA . 16668 1 71 . 1 1 13 13 ASP N N 15 121.500 . . 1 . . . . 13 ASP N . 16668 1 72 . 1 1 14 14 GLY H H 1 8.860 . . 1 . . . . 14 GLY HN . 16668 1 73 . 1 1 14 14 GLY HA2 H 1 4.370 . . 2 . . . . 14 GLY HA1 . 16668 1 74 . 1 1 14 14 GLY HA3 H 1 4.370 . . 2 . . . . 14 GLY HA2 . 16668 1 75 . 1 1 14 14 GLY C C 13 173.980 . . 1 . . . . 14 GLY C . 16668 1 76 . 1 1 14 14 GLY CA C 13 47.200 . . 1 . . . . 14 GLY CA . 16668 1 77 . 1 1 14 14 GLY N N 15 107.400 . . 1 . . . . 14 GLY N . 16668 1 78 . 1 1 15 15 ALA H H 1 10.340 . . 1 . . . . 15 ALA HN . 16668 1 79 . 1 1 15 15 ALA C C 13 176.040 . . 1 . . . . 15 ALA C . 16668 1 80 . 1 1 15 15 ALA N N 15 124.350 . . 1 . . . . 15 ALA N . 16668 1 81 . 1 1 16 16 CYS H H 1 7.900 . . 1 . . . . 16 CYS HN . 16668 1 82 . 1 1 16 16 CYS HA H 1 4.830 . . 1 . . . . 16 CYS HA . 16668 1 83 . 1 1 16 16 CYS C C 13 175.150 . . 1 . . . . 16 CYS C . 16668 1 84 . 1 1 16 16 CYS CA C 13 53.820 . . 1 . . . . 16 CYS CA . 16668 1 85 . 1 1 16 16 CYS CB C 13 28.330 . . 1 . . . . 16 CYS CB . 16668 1 86 . 1 1 16 16 CYS N N 15 115.590 . . 1 . . . . 16 CYS N . 16668 1 87 . 1 1 17 17 GLY H H 1 8.310 . . 1 . . . . 17 GLY HN . 16668 1 88 . 1 1 17 17 GLY C C 13 176.860 . . 1 . . . . 17 GLY C . 16668 1 89 . 1 1 17 17 GLY CA C 13 45.050 . . 1 . . . . 17 GLY CA . 16668 1 90 . 1 1 17 17 GLY N N 15 110.170 . . 1 . . . . 17 GLY N . 16668 1 91 . 1 1 19 19 THR C C 13 177.550 . . 1 . . . . 19 THR C . 16668 1 92 . 1 1 20 20 CYS H H 1 8.740 . . 1 . . . . 20 CYS HN . 16668 1 93 . 1 1 20 20 CYS C C 13 179.260 . . 1 . . . . 20 CYS C . 16668 1 94 . 1 1 20 20 CYS CA C 13 67.400 . . 1 . . . . 20 CYS CA . 16668 1 95 . 1 1 20 20 CYS CB C 13 31.160 . . 1 . . . . 20 CYS CB . 16668 1 96 . 1 1 20 20 CYS N N 15 121.160 . . 1 . . . . 20 CYS N . 16668 1 97 . 1 1 21 21 LEU H H 1 8.090 . . 1 . . . . 21 LEU HN . 16668 1 98 . 1 1 21 21 LEU C C 13 176.250 . . 1 . . . . 21 LEU C . 16668 1 99 . 1 1 21 21 LEU CA C 13 60.230 . . 1 . . . . 21 LEU CA . 16668 1 100 . 1 1 21 21 LEU CB C 13 39.800 . . 1 . . . . 21 LEU CB . 16668 1 101 . 1 1 21 21 LEU N N 15 120.540 . . 1 . . . . 21 LEU N . 16668 1 102 . 1 1 22 22 LEU H H 1 7.780 . . 1 . . . . 22 LEU HN . 16668 1 103 . 1 1 22 22 LEU C C 13 174.380 . . 1 . . . . 22 LEU C . 16668 1 104 . 1 1 22 22 LEU CA C 13 61.690 . . 1 . . . . 22 LEU CA . 16668 1 105 . 1 1 22 22 LEU CB C 13 38.790 . . 1 . . . . 22 LEU CB . 16668 1 106 . 1 1 22 22 LEU N N 15 112.440 . . 1 . . . . 22 LEU N . 16668 1 107 . 1 1 24 24 VAL CA C 13 63.180 . . 1 . . . . 24 VAL CA . 16668 1 108 . 1 1 24 24 VAL CB C 13 32.630 . . 1 . . . . 24 VAL CB . 16668 1 109 . 1 1 25 25 PHE H H 1 8.310 . . 1 . . . . 25 PHE HN . 16668 1 110 . 1 1 25 25 PHE HA H 1 4.770 . . 1 . . . . 25 PHE HA . 16668 1 111 . 1 1 25 25 PHE CA C 13 55.050 . . 1 . . . . 25 PHE CA . 16668 1 112 . 1 1 25 25 PHE CB C 13 43.140 . . 1 . . . . 25 PHE CB . 16668 1 113 . 1 1 25 25 PHE N N 15 119.960 . . 1 . . . . 25 PHE N . 16668 1 114 . 1 1 26 26 SER C C 13 175.460 . . 1 . . . . 26 SER C . 16668 1 115 . 1 1 26 26 SER CA C 13 62.140 . . 1 . . . . 26 SER CA . 16668 1 116 . 1 1 26 26 SER CB C 13 63.640 . . 1 . . . . 26 SER CB . 16668 1 117 . 1 1 27 27 LYS H H 1 8.750 . . 1 . . . . 27 LYS HN . 16668 1 118 . 1 1 27 27 LYS HA H 1 4.390 . . 1 . . . . 27 LYS HA . 16668 1 119 . 1 1 27 27 LYS C C 13 176.720 . . 1 . . . . 27 LYS C . 16668 1 120 . 1 1 27 27 LYS CA C 13 55.270 . . 1 . . . . 27 LYS CA . 16668 1 121 . 1 1 27 27 LYS CB C 13 32.900 . . 1 . . . . 27 LYS CB . 16668 1 122 . 1 1 27 27 LYS N N 15 116.970 . . 1 . . . . 27 LYS N . 16668 1 123 . 1 1 28 28 ASP H H 1 7.960 . . 1 . . . . 28 ASP HN . 16668 1 124 . 1 1 28 28 ASP HA H 1 4.620 . . 1 . . . . 28 ASP HA . 16668 1 125 . 1 1 28 28 ASP C C 13 174.630 . . 1 . . . . 28 ASP C . 16668 1 126 . 1 1 28 28 ASP CA C 13 55.610 . . 1 . . . . 28 ASP CA . 16668 1 127 . 1 1 28 28 ASP CB C 13 40.670 . . 1 . . . . 28 ASP CB . 16668 1 128 . 1 1 28 28 ASP N N 15 118.110 . . 1 . . . . 28 ASP N . 16668 1 129 . 1 1 29 29 GLN H H 1 6.540 . . 1 . . . . 29 GLN HN . 16668 1 130 . 1 1 29 29 GLN HA H 1 4.460 . . 1 . . . . 29 GLN HA . 16668 1 131 . 1 1 29 29 GLN C C 13 173.650 . . 1 . . . . 29 GLN C . 16668 1 132 . 1 1 29 29 GLN CA C 13 54.620 . . 1 . . . . 29 GLN CA . 16668 1 133 . 1 1 29 29 GLN CB C 13 32.010 . . 1 . . . . 29 GLN CB . 16668 1 134 . 1 1 29 29 GLN N N 15 113.400 . . 1 . . . . 29 GLN N . 16668 1 135 . 1 1 30 30 PHE H H 1 9.110 . . 1 . . . . 30 PHE HN . 16668 1 136 . 1 1 30 30 PHE HA H 1 4.370 . . 1 . . . . 30 PHE HA . 16668 1 137 . 1 1 30 30 PHE CA C 13 54.880 . . 1 . . . . 30 PHE CA . 16668 1 138 . 1 1 30 30 PHE CB C 13 39.330 . . 1 . . . . 30 PHE CB . 16668 1 139 . 1 1 30 30 PHE N N 15 129.030 . . 1 . . . . 30 PHE N . 16668 1 140 . 1 1 32 32 GLU C C 13 176.980 . . 1 . . . . 32 GLU C . 16668 1 141 . 1 1 32 32 GLU CA C 13 57.270 . . 1 . . . . 32 GLU CA . 16668 1 142 . 1 1 32 32 GLU CB C 13 31.650 . . 1 . . . . 32 GLU CB . 16668 1 143 . 1 1 33 33 VAL H H 1 7.970 . . 1 . . . . 33 VAL HN . 16668 1 144 . 1 1 33 33 VAL HA H 1 3.950 . . 1 . . . . 33 VAL HA . 16668 1 145 . 1 1 33 33 VAL C C 13 175.240 . . 1 . . . . 33 VAL C . 16668 1 146 . 1 1 33 33 VAL CA C 13 63.720 . . 1 . . . . 33 VAL CA . 16668 1 147 . 1 1 33 33 VAL CB C 13 33.100 . . 1 . . . . 33 VAL CB . 16668 1 148 . 1 1 33 33 VAL N N 15 116.810 . . 1 . . . . 33 VAL N . 16668 1 149 . 1 1 34 34 TYR H H 1 7.910 . . 1 . . . . 34 TYR HN . 16668 1 150 . 1 1 34 34 TYR HA H 1 4.470 . . 1 . . . . 34 TYR HA . 16668 1 151 . 1 1 34 34 TYR C C 13 173.340 . . 1 . . . . 34 TYR C . 16668 1 152 . 1 1 34 34 TYR CA C 13 57.690 . . 1 . . . . 34 TYR CA . 16668 1 153 . 1 1 34 34 TYR CB C 13 39.470 . . 1 . . . . 34 TYR CB . 16668 1 154 . 1 1 34 34 TYR N N 15 120.400 . . 1 . . . . 34 TYR N . 16668 1 155 . 1 1 35 35 VAL H H 1 7.880 . . 1 . . . . 35 VAL HN . 16668 1 156 . 1 1 35 35 VAL HA H 1 4.050 . . 1 . . . . 35 VAL HA . 16668 1 157 . 1 1 35 35 VAL C C 13 173.450 . . 1 . . . . 35 VAL C . 16668 1 158 . 1 1 35 35 VAL CA C 13 58.220 . . 1 . . . . 35 VAL CA . 16668 1 159 . 1 1 35 35 VAL CB C 13 33.900 . . 1 . . . . 35 VAL CB . 16668 1 160 . 1 1 35 35 VAL N N 15 127.320 . . 1 . . . . 35 VAL N . 16668 1 161 . 1 1 36 36 PRO C C 13 176.350 . . 1 . . . . 36 PRO C . 16668 1 162 . 1 1 36 36 PRO CA C 13 61.890 . . 1 . . . . 36 PRO CA . 16668 1 163 . 1 1 36 36 PRO CB C 13 31.980 . . 1 . . . . 36 PRO CB . 16668 1 164 . 1 1 37 37 THR H H 1 8.520 . . 1 . . . . 37 THR HN . 16668 1 165 . 1 1 37 37 THR C C 13 176.950 . . 1 . . . . 37 THR C . 16668 1 166 . 1 1 37 37 THR CA C 13 60.780 . . 1 . . . . 37 THR CA . 16668 1 167 . 1 1 37 37 THR CB C 13 69.230 . . 1 . . . . 37 THR CB . 16668 1 168 . 1 1 37 37 THR N N 15 118.510 . . 1 . . . . 37 THR N . 16668 1 169 . 1 1 38 38 VAL H H 1 9.120 . . 1 . . . . 38 VAL HN . 16668 1 170 . 1 1 38 38 VAL HA H 1 4.020 . . 1 . . . . 38 VAL HA . 16668 1 171 . 1 1 38 38 VAL N N 15 119.290 . . 1 . . . . 38 VAL N . 16668 1 172 . 1 1 39 39 PHE C C 13 174.940 . . 1 . . . . 39 PHE C . 16668 1 173 . 1 1 39 39 PHE CA C 13 55.390 . . 1 . . . . 39 PHE CA . 16668 1 174 . 1 1 39 39 PHE CB C 13 40.300 . . 1 . . . . 39 PHE CB . 16668 1 175 . 1 1 40 40 GLU H H 1 7.700 . . 1 . . . . 40 GLU HN . 16668 1 176 . 1 1 40 40 GLU C C 13 174.410 . . 1 . . . . 40 GLU C . 16668 1 177 . 1 1 40 40 GLU CA C 13 55.810 . . 1 . . . . 40 GLU CA . 16668 1 178 . 1 1 40 40 GLU CB C 13 30.560 . . 1 . . . . 40 GLU CB . 16668 1 179 . 1 1 40 40 GLU N N 15 125.910 . . 1 . . . . 40 GLU N . 16668 1 180 . 1 1 41 41 ASN C C 13 174.220 . . 1 . . . . 41 ASN C . 16668 1 181 . 1 1 41 41 ASN CA C 13 54.800 . . 1 . . . . 41 ASN CA . 16668 1 182 . 1 1 41 41 ASN CB C 13 37.550 . . 1 . . . . 41 ASN CB . 16668 1 183 . 1 1 42 42 TYR H H 1 7.770 . . 1 . . . . 42 TYR HN . 16668 1 184 . 1 1 42 42 TYR HA H 1 4.390 . . 1 . . . . 42 TYR HA . 16668 1 185 . 1 1 42 42 TYR C C 13 173.500 . . 1 . . . . 42 TYR C . 16668 1 186 . 1 1 42 42 TYR CA C 13 57.890 . . 1 . . . . 42 TYR CA . 16668 1 187 . 1 1 42 42 TYR CB C 13 43.220 . . 1 . . . . 42 TYR CB . 16668 1 188 . 1 1 42 42 TYR N N 15 125.290 . . 1 . . . . 42 TYR N . 16668 1 189 . 1 1 43 43 VAL H H 1 7.520 . . 1 . . . . 43 VAL HN . 16668 1 190 . 1 1 43 43 VAL HA H 1 4.630 . . 1 . . . . 43 VAL HA . 16668 1 191 . 1 1 43 43 VAL C C 13 173.800 . . 1 . . . . 43 VAL C . 16668 1 192 . 1 1 43 43 VAL CA C 13 61.170 . . 1 . . . . 43 VAL CA . 16668 1 193 . 1 1 43 43 VAL CB C 13 32.700 . . 1 . . . . 43 VAL CB . 16668 1 194 . 1 1 43 43 VAL N N 15 126.680 . . 1 . . . . 43 VAL N . 16668 1 195 . 1 1 44 44 ALA H H 1 8.990 . . 1 . . . . 44 ALA HN . 16668 1 196 . 1 1 44 44 ALA HA H 1 4.680 . . 1 . . . . 44 ALA HA . 16668 1 197 . 1 1 44 44 ALA C C 13 175.370 . . 1 . . . . 44 ALA C . 16668 1 198 . 1 1 44 44 ALA CA C 13 50.180 . . 1 . . . . 44 ALA CA . 16668 1 199 . 1 1 44 44 ALA CB C 13 22.520 . . 1 . . . . 44 ALA CB . 16668 1 200 . 1 1 44 44 ALA N N 15 130.910 . . 1 . . . . 44 ALA N . 16668 1 201 . 1 1 45 45 ASP H H 1 8.310 . . 1 . . . . 45 ASP HN . 16668 1 202 . 1 1 45 45 ASP HA H 1 5.320 . . 1 . . . . 45 ASP HA . 16668 1 203 . 1 1 45 45 ASP C C 13 175.290 . . 1 . . . . 45 ASP C . 16668 1 204 . 1 1 45 45 ASP CA C 13 53.800 . . 1 . . . . 45 ASP CA . 16668 1 205 . 1 1 45 45 ASP CB C 13 42.210 . . 1 . . . . 45 ASP CB . 16668 1 206 . 1 1 45 45 ASP N N 15 121.210 . . 1 . . . . 45 ASP N . 16668 1 207 . 1 1 46 46 ILE H H 1 9.080 . . 1 . . . . 46 ILE HN . 16668 1 208 . 1 1 46 46 ILE HA H 1 4.530 . . 1 . . . . 46 ILE HA . 16668 1 209 . 1 1 46 46 ILE C C 13 171.200 . . 1 . . . . 46 ILE C . 16668 1 210 . 1 1 46 46 ILE CA C 13 60.650 . . 1 . . . . 46 ILE CA . 16668 1 211 . 1 1 46 46 ILE CB C 13 42.350 . . 1 . . . . 46 ILE CB . 16668 1 212 . 1 1 46 46 ILE N N 15 122.770 . . 1 . . . . 46 ILE N . 16668 1 213 . 1 1 47 47 GLU H H 1 8.170 . . 1 . . . . 47 GLU HN . 16668 1 214 . 1 1 47 47 GLU HA H 1 5.640 . . 1 . . . . 47 GLU HA . 16668 1 215 . 1 1 47 47 GLU C C 13 176.010 . . 1 . . . . 47 GLU C . 16668 1 216 . 1 1 47 47 GLU CA C 13 54.470 . . 1 . . . . 47 GLU CA . 16668 1 217 . 1 1 47 47 GLU CB C 13 31.830 . . 1 . . . . 47 GLU CB . 16668 1 218 . 1 1 47 47 GLU N N 15 127.110 . . 1 . . . . 47 GLU N . 16668 1 219 . 1 1 48 48 VAL H H 1 8.520 . . 1 . . . . 48 VAL HN . 16668 1 220 . 1 1 48 48 VAL HA H 1 4.370 . . 1 . . . . 48 VAL HA . 16668 1 221 . 1 1 48 48 VAL C C 13 174.460 . . 1 . . . . 48 VAL C . 16668 1 222 . 1 1 48 48 VAL CA C 13 60.500 . . 1 . . . . 48 VAL CA . 16668 1 223 . 1 1 48 48 VAL CB C 13 35.580 . . 1 . . . . 48 VAL CB . 16668 1 224 . 1 1 48 48 VAL N N 15 123.590 . . 1 . . . . 48 VAL N . 16668 1 225 . 1 1 49 49 ASP H H 1 9.280 . . 1 . . . . 49 ASP HN . 16668 1 226 . 1 1 49 49 ASP HA H 1 4.290 . . 1 . . . . 49 ASP HA . 16668 1 227 . 1 1 49 49 ASP C C 13 175.930 . . 1 . . . . 49 ASP C . 16668 1 228 . 1 1 49 49 ASP CA C 13 55.480 . . 1 . . . . 49 ASP CA . 16668 1 229 . 1 1 49 49 ASP CB C 13 39.170 . . 1 . . . . 49 ASP CB . 16668 1 230 . 1 1 49 49 ASP N N 15 125.300 . . 1 . . . . 49 ASP N . 16668 1 231 . 1 1 50 50 GLY H H 1 8.800 . . 1 . . . . 50 GLY HN . 16668 1 232 . 1 1 50 50 GLY HA2 H 1 4.110 . . 2 . . . . 50 GLY HA1 . 16668 1 233 . 1 1 50 50 GLY HA3 H 1 3.590 . . 2 . . . . 50 GLY HA2 . 16668 1 234 . 1 1 50 50 GLY C C 13 174.060 . . 1 . . . . 50 GLY C . 16668 1 235 . 1 1 50 50 GLY CA C 13 45.450 . . 1 . . . . 50 GLY CA . 16668 1 236 . 1 1 50 50 GLY N N 15 103.760 . . 1 . . . . 50 GLY N . 16668 1 237 . 1 1 51 51 LYS H H 1 8.170 . . 1 . . . . 51 LYS HN . 16668 1 238 . 1 1 51 51 LYS C C 13 174.500 . . 1 . . . . 51 LYS C . 16668 1 239 . 1 1 51 51 LYS CA C 13 54.780 . . 1 . . . . 51 LYS CA . 16668 1 240 . 1 1 51 51 LYS CB C 13 33.680 . . 1 . . . . 51 LYS CB . 16668 1 241 . 1 1 51 51 LYS N N 15 121.770 . . 1 . . . . 51 LYS N . 16668 1 242 . 1 1 52 52 GLN H H 1 8.280 . . 1 . . . . 52 GLN HN . 16668 1 243 . 1 1 52 52 GLN HA H 1 4.560 . . 1 . . . . 52 GLN HA . 16668 1 244 . 1 1 52 52 GLN C C 13 174.990 . . 1 . . . . 52 GLN C . 16668 1 245 . 1 1 52 52 GLN CA C 13 55.630 . . 1 . . . . 52 GLN CA . 16668 1 246 . 1 1 52 52 GLN CB C 13 28.730 . . 1 . . . . 52 GLN CB . 16668 1 247 . 1 1 52 52 GLN N N 15 122.270 . . 1 . . . . 52 GLN N . 16668 1 248 . 1 1 53 53 VAL H H 1 9.140 . . 1 . . . . 53 VAL HN . 16668 1 249 . 1 1 53 53 VAL HA H 1 4.830 . . 1 . . . . 53 VAL HA . 16668 1 250 . 1 1 53 53 VAL C C 13 175.070 . . 1 . . . . 53 VAL C . 16668 1 251 . 1 1 53 53 VAL CA C 13 60.620 . . 1 . . . . 53 VAL CA . 16668 1 252 . 1 1 53 53 VAL CB C 13 35.320 . . 1 . . . . 53 VAL CB . 16668 1 253 . 1 1 53 53 VAL N N 15 126.780 . . 1 . . . . 53 VAL N . 16668 1 254 . 1 1 54 54 GLU H H 1 8.930 . . 1 . . . . 54 GLU HN . 16668 1 255 . 1 1 54 54 GLU HA H 1 4.810 . . 1 . . . . 54 GLU HA . 16668 1 256 . 1 1 54 54 GLU C C 13 174.340 . . 1 . . . . 54 GLU C . 16668 1 257 . 1 1 54 54 GLU CA C 13 54.470 . . 1 . . . . 54 GLU CA . 16668 1 258 . 1 1 54 54 GLU CB C 13 31.160 . . 1 . . . . 54 GLU CB . 16668 1 259 . 1 1 54 54 GLU N N 15 127.360 . . 1 . . . . 54 GLU N . 16668 1 260 . 1 1 55 55 LEU H H 1 9.350 . . 1 . . . . 55 LEU HN . 16668 1 261 . 1 1 55 55 LEU HA H 1 5.040 . . 1 . . . . 55 LEU HA . 16668 1 262 . 1 1 55 55 LEU C C 13 174.450 . . 1 . . . . 55 LEU C . 16668 1 263 . 1 1 55 55 LEU CA C 13 52.640 . . 1 . . . . 55 LEU CA . 16668 1 264 . 1 1 55 55 LEU CB C 13 44.910 . . 1 . . . . 55 LEU CB . 16668 1 265 . 1 1 55 55 LEU N N 15 128.240 . . 1 . . . . 55 LEU N . 16668 1 266 . 1 1 56 56 ALA H H 1 9.400 . . 1 . . . . 56 ALA HN . 16668 1 267 . 1 1 56 56 ALA HA H 1 4.840 . . 1 . . . . 56 ALA HA . 16668 1 268 . 1 1 56 56 ALA C C 13 176.150 . . 1 . . . . 56 ALA C . 16668 1 269 . 1 1 56 56 ALA CA C 13 51.730 . . 1 . . . . 56 ALA CA . 16668 1 270 . 1 1 56 56 ALA CB C 13 20.320 . . 1 . . . . 56 ALA CB . 16668 1 271 . 1 1 56 56 ALA N N 15 130.040 . . 1 . . . . 56 ALA N . 16668 1 272 . 1 1 57 57 LEU H H 1 8.960 . . 1 . . . . 57 LEU HN . 16668 1 273 . 1 1 57 57 LEU C C 13 176.530 . . 1 . . . . 57 LEU C . 16668 1 274 . 1 1 57 57 LEU CA C 13 54.940 . . 1 . . . . 57 LEU CA . 16668 1 275 . 1 1 57 57 LEU CB C 13 42.680 . . 1 . . . . 57 LEU CB . 16668 1 276 . 1 1 57 57 LEU N N 15 123.630 . . 1 . . . . 57 LEU N . 16668 1 277 . 1 1 58 58 TRP H H 1 9.180 . . 1 . . . . 58 TRP HN . 16668 1 278 . 1 1 58 58 TRP C C 13 173.480 . . 1 . . . . 58 TRP C . 16668 1 279 . 1 1 58 58 TRP CA C 13 56.940 . . 1 . . . . 58 TRP CA . 16668 1 280 . 1 1 58 58 TRP CB C 13 28.730 . . 1 . . . . 58 TRP CB . 16668 1 281 . 1 1 58 58 TRP N N 15 127.250 . . 1 . . . . 58 TRP N . 16668 1 282 . 1 1 59 59 ASP H H 1 8.830 . . 1 . . . . 59 ASP HN . 16668 1 283 . 1 1 59 59 ASP C C 13 177.010 . . 1 . . . . 59 ASP C . 16668 1 284 . 1 1 59 59 ASP CA C 13 52.150 . . 1 . . . . 59 ASP CA . 16668 1 285 . 1 1 59 59 ASP CB C 13 42.650 . . 1 . . . . 59 ASP CB . 16668 1 286 . 1 1 59 59 ASP N N 15 124.110 . . 1 . . . . 59 ASP N . 16668 1 287 . 1 1 60 60 THR H H 1 8.550 . . 1 . . . . 60 THR HN . 16668 1 288 . 1 1 60 60 THR HA H 1 4.600 . . 1 . . . . 60 THR HA . 16668 1 289 . 1 1 60 60 THR C C 13 171.500 . . 1 . . . . 60 THR C . 16668 1 290 . 1 1 60 60 THR CA C 13 60.390 . . 1 . . . . 60 THR CA . 16668 1 291 . 1 1 60 60 THR CB C 13 73.800 . . 1 . . . . 60 THR CB . 16668 1 292 . 1 1 60 60 THR N N 15 112.340 . . 1 . . . . 60 THR N . 16668 1 293 . 1 1 61 61 ALA H H 1 8.950 . . 1 . . . . 61 ALA HN . 16668 1 294 . 1 1 61 61 ALA C C 13 176.510 . . 1 . . . . 61 ALA C . 16668 1 295 . 1 1 61 61 ALA CA C 13 50.990 . . 1 . . . . 61 ALA CA . 16668 1 296 . 1 1 61 61 ALA N N 15 120.360 . . 1 . . . . 61 ALA N . 16668 1 297 . 1 1 63 63 GLN CA C 13 56.130 . . 1 . . . . 63 GLN CA . 16668 1 298 . 1 1 63 63 GLN CB C 13 30.510 . . 1 . . . . 63 GLN CB . 16668 1 299 . 1 1 64 64 GLU H H 1 9.100 . . 1 . . . . 64 GLU HN . 16668 1 300 . 1 1 64 64 GLU C C 13 177.500 . . 1 . . . . 64 GLU C . 16668 1 301 . 1 1 64 64 GLU CA C 13 58.360 . . 1 . . . . 64 GLU CA . 16668 1 302 . 1 1 64 64 GLU CB C 13 28.680 . . 1 . . . . 64 GLU CB . 16668 1 303 . 1 1 64 64 GLU N N 15 119.380 . . 1 . . . . 64 GLU N . 16668 1 304 . 1 1 65 65 ASP H H 1 8.570 . . 1 . . . . 65 ASP HN . 16668 1 305 . 1 1 65 65 ASP HA H 1 4.620 . . 1 . . . . 65 ASP HA . 16668 1 306 . 1 1 65 65 ASP C C 13 177.080 . . 1 . . . . 65 ASP C . 16668 1 307 . 1 1 65 65 ASP CA C 13 56.010 . . 1 . . . . 65 ASP CA . 16668 1 308 . 1 1 65 65 ASP CB C 13 40.540 . . 1 . . . . 65 ASP CB . 16668 1 309 . 1 1 65 65 ASP N N 15 120.410 . . 1 . . . . 65 ASP N . 16668 1 310 . 1 1 66 66 TYR H H 1 8.070 . . 1 . . . . 66 TYR HN . 16668 1 311 . 1 1 66 66 TYR HA H 1 4.210 . . 1 . . . . 66 TYR HA . 16668 1 312 . 1 1 66 66 TYR C C 13 178.080 . . 1 . . . . 66 TYR C . 16668 1 313 . 1 1 66 66 TYR CA C 13 61.100 . . 1 . . . . 66 TYR CA . 16668 1 314 . 1 1 66 66 TYR CB C 13 32.770 . . 1 . . . . 66 TYR CB . 16668 1 315 . 1 1 66 66 TYR N N 15 116.590 . . 1 . . . . 66 TYR N . 16668 1 316 . 1 1 67 67 ASP H H 1 7.670 . . 1 . . . . 67 ASP HN . 16668 1 317 . 1 1 67 67 ASP HA H 1 4.070 . . 1 . . . . 67 ASP HA . 16668 1 318 . 1 1 67 67 ASP N N 15 119.810 . . 1 . . . . 67 ASP N . 16668 1 319 . 1 1 71 71 PRO C C 13 178.410 . . 1 . . . . 71 PRO C . 16668 1 320 . 1 1 71 71 PRO CA C 13 64.790 . . 1 . . . . 71 PRO CA . 16668 1 321 . 1 1 71 71 PRO CB C 13 30.980 . . 1 . . . . 71 PRO CB . 16668 1 322 . 1 1 72 72 LEU H H 1 7.280 . . 1 . . . . 72 LEU HN . 16668 1 323 . 1 1 72 72 LEU C C 13 178.670 . . 1 . . . . 72 LEU C . 16668 1 324 . 1 1 72 72 LEU CA C 13 56.190 . . 1 . . . . 72 LEU CA . 16668 1 325 . 1 1 72 72 LEU CB C 13 40.680 . . 1 . . . . 72 LEU CB . 16668 1 326 . 1 1 72 72 LEU N N 15 115.390 . . 1 . . . . 72 LEU N . 16668 1 327 . 1 1 73 73 SER H H 1 8.140 . . 1 . . . . 73 SER HN . 16668 1 328 . 1 1 73 73 SER HA H 1 4.200 . . 1 . . . . 73 SER HA . 16668 1 329 . 1 1 73 73 SER C C 13 174.190 . . 1 . . . . 73 SER C . 16668 1 330 . 1 1 73 73 SER CA C 13 60.540 . . 1 . . . . 73 SER CA . 16668 1 331 . 1 1 73 73 SER CB C 13 63.120 . . 1 . . . . 73 SER CB . 16668 1 332 . 1 1 73 73 SER N N 15 113.870 . . 1 . . . . 73 SER N . 16668 1 333 . 1 1 74 74 TYR H H 1 6.650 . . 1 . . . . 74 TYR HN . 16668 1 334 . 1 1 74 74 TYR C C 13 174.710 . . 1 . . . . 74 TYR C . 16668 1 335 . 1 1 74 74 TYR CA C 13 59.780 . . 1 . . . . 74 TYR CA . 16668 1 336 . 1 1 74 74 TYR CB C 13 37.920 . . 1 . . . . 74 TYR CB . 16668 1 337 . 1 1 74 74 TYR N N 15 118.650 . . 1 . . . . 74 TYR N . 16668 1 338 . 1 1 75 75 PRO C C 13 175.500 . . 1 . . . . 75 PRO C . 16668 1 339 . 1 1 75 75 PRO CA C 13 65.990 . . 1 . . . . 75 PRO CA . 16668 1 340 . 1 1 75 75 PRO CB C 13 30.980 . . 1 . . . . 75 PRO CB . 16668 1 341 . 1 1 76 76 ASP H H 1 8.880 . . 1 . . . . 76 ASP HN . 16668 1 342 . 1 1 76 76 ASP HA H 1 4.160 . . 1 . . . . 76 ASP HA . 16668 1 343 . 1 1 76 76 ASP C C 13 174.610 . . 1 . . . . 76 ASP C . 16668 1 344 . 1 1 76 76 ASP CA C 13 55.740 . . 1 . . . . 76 ASP CA . 16668 1 345 . 1 1 76 76 ASP CB C 13 39.530 . . 1 . . . . 76 ASP CB . 16668 1 346 . 1 1 76 76 ASP N N 15 117.060 . . 1 . . . . 76 ASP N . 16668 1 347 . 1 1 77 77 THR H H 1 7.400 . . 1 . . . . 77 THR HN . 16668 1 348 . 1 1 77 77 THR CA C 13 66.540 . . 1 . . . . 77 THR CA . 16668 1 349 . 1 1 77 77 THR CB C 13 68.390 . . 1 . . . . 77 THR CB . 16668 1 350 . 1 1 77 77 THR N N 15 116.630 . . 1 . . . . 77 THR N . 16668 1 351 . 1 1 78 78 ASP H H 1 8.990 . . 1 . . . . 78 ASP HN . 16668 1 352 . 1 1 78 78 ASP HA H 1 5.050 . . 1 . . . . 78 ASP HA . 16668 1 353 . 1 1 78 78 ASP C C 13 175.060 . . 1 . . . . 78 ASP C . 16668 1 354 . 1 1 78 78 ASP CA C 13 55.880 . . 1 . . . . 78 ASP CA . 16668 1 355 . 1 1 78 78 ASP CB C 13 45.090 . . 1 . . . . 78 ASP CB . 16668 1 356 . 1 1 78 78 ASP N N 15 122.600 . . 1 . . . . 78 ASP N . 16668 1 357 . 1 1 79 79 VAL H H 1 7.860 . . 1 . . . . 79 VAL HN . 16668 1 358 . 1 1 79 79 VAL C C 13 170.300 . . 1 . . . . 79 VAL C . 16668 1 359 . 1 1 79 79 VAL CA C 13 61.190 . . 1 . . . . 79 VAL CA . 16668 1 360 . 1 1 79 79 VAL CB C 13 32.680 . . 1 . . . . 79 VAL CB . 16668 1 361 . 1 1 79 79 VAL N N 15 116.690 . . 1 . . . . 79 VAL N . 16668 1 362 . 1 1 80 80 ILE H H 1 8.150 . . 1 . . . . 80 ILE HN . 16668 1 363 . 1 1 80 80 ILE HA H 1 5.430 . . 1 . . . . 80 ILE HA . 16668 1 364 . 1 1 80 80 ILE C C 13 175.660 . . 1 . . . . 80 ILE C . 16668 1 365 . 1 1 80 80 ILE CA C 13 57.540 . . 1 . . . . 80 ILE CA . 16668 1 366 . 1 1 80 80 ILE CB C 13 40.970 . . 1 . . . . 80 ILE CB . 16668 1 367 . 1 1 80 80 ILE N N 15 126.960 . . 1 . . . . 80 ILE N . 16668 1 368 . 1 1 81 81 LEU H H 1 8.860 . . 1 . . . . 81 LEU HN . 16668 1 369 . 1 1 81 81 LEU HA H 1 4.850 . . 1 . . . . 81 LEU HA . 16668 1 370 . 1 1 81 81 LEU C C 13 173.240 . . 1 . . . . 81 LEU C . 16668 1 371 . 1 1 81 81 LEU CA C 13 53.190 . . 1 . . . . 81 LEU CA . 16668 1 372 . 1 1 81 81 LEU CB C 13 42.240 . . 1 . . . . 81 LEU CB . 16668 1 373 . 1 1 81 81 LEU N N 15 126.010 . . 1 . . . . 81 LEU N . 16668 1 374 . 1 1 82 82 MET H H 1 9.130 . . 1 . . . . 82 MET HN . 16668 1 375 . 1 1 82 82 MET HA H 1 4.710 . . 1 . . . . 82 MET HA . 16668 1 376 . 1 1 82 82 MET C C 13 174.070 . . 1 . . . . 82 MET C . 16668 1 377 . 1 1 82 82 MET CA C 13 56.720 . . 1 . . . . 82 MET CA . 16668 1 378 . 1 1 82 82 MET CB C 13 28.740 . . 1 . . . . 82 MET CB . 16668 1 379 . 1 1 82 82 MET N N 15 127.360 . . 1 . . . . 82 MET N . 16668 1 380 . 1 1 84 84 PHE C C 13 172.170 . . 1 . . . . 84 PHE C . 16668 1 381 . 1 1 84 84 PHE CA C 13 56.070 . . 1 . . . . 84 PHE CA . 16668 1 382 . 1 1 84 84 PHE CB C 13 39.780 . . 1 . . . . 84 PHE CB . 16668 1 383 . 1 1 85 85 SER H H 1 9.310 . . 1 . . . . 85 SER HN . 16668 1 384 . 1 1 85 85 SER C C 13 176.310 . . 1 . . . . 85 SER C . 16668 1 385 . 1 1 85 85 SER N N 15 113.730 . . 1 . . . . 85 SER N . 16668 1 386 . 1 1 86 86 ILE C C 13 174.970 . . 1 . . . . 86 ILE C . 16668 1 387 . 1 1 86 86 ILE CA C 13 64.310 . . 1 . . . . 86 ILE CA . 16668 1 388 . 1 1 87 87 ASP H H 1 8.300 . . 1 . . . . 87 ASP HN . 16668 1 389 . 1 1 87 87 ASP HA H 1 4.310 . . 1 . . . . 87 ASP HA . 16668 1 390 . 1 1 87 87 ASP C C 13 174.000 . . 1 . . . . 87 ASP C . 16668 1 391 . 1 1 87 87 ASP CA C 13 53.120 . . 1 . . . . 87 ASP CA . 16668 1 392 . 1 1 87 87 ASP CB C 13 41.700 . . 1 . . . . 87 ASP CB . 16668 1 393 . 1 1 87 87 ASP N N 15 115.090 . . 1 . . . . 87 ASP N . 16668 1 394 . 1 1 88 88 SER H H 1 7.910 . . 1 . . . . 88 SER HN . 16668 1 395 . 1 1 88 88 SER HA H 1 5.180 . . 1 . . . . 88 SER HA . 16668 1 396 . 1 1 88 88 SER C C 13 172.790 . . 1 . . . . 88 SER C . 16668 1 397 . 1 1 88 88 SER CB C 13 62.870 . . 1 . . . . 88 SER CB . 16668 1 398 . 1 1 88 88 SER N N 15 110.190 . . 1 . . . . 88 SER N . 16668 1 399 . 1 1 89 89 PRO C C 13 178.820 . . 1 . . . . 89 PRO C . 16668 1 400 . 1 1 89 89 PRO CA C 13 65.750 . . 1 . . . . 89 PRO CA . 16668 1 401 . 1 1 89 89 PRO CB C 13 31.830 . . 1 . . . . 89 PRO CB . 16668 1 402 . 1 1 90 90 ASP H H 1 9.060 . . 1 . . . . 90 ASP HN . 16668 1 403 . 1 1 90 90 ASP HA H 1 4.340 . . 1 . . . . 90 ASP HA . 16668 1 404 . 1 1 90 90 ASP C C 13 178.040 . . 1 . . . . 90 ASP C . 16668 1 405 . 1 1 90 90 ASP CA C 13 57.660 . . 1 . . . . 90 ASP CA . 16668 1 406 . 1 1 90 90 ASP CB C 13 40.090 . . 1 . . . . 90 ASP CB . 16668 1 407 . 1 1 90 90 ASP N N 15 118.700 . . 1 . . . . 90 ASP N . 16668 1 408 . 1 1 91 91 SER H H 1 8.360 . . 1 . . . . 91 SER HN . 16668 1 409 . 1 1 91 91 SER HA H 1 4.970 . . 1 . . . . 91 SER HA . 16668 1 410 . 1 1 91 91 SER C C 13 177.160 . . 1 . . . . 91 SER C . 16668 1 411 . 1 1 91 91 SER CA C 13 61.130 . . 1 . . . . 91 SER CA . 16668 1 412 . 1 1 91 91 SER CB C 13 63.370 . . 1 . . . . 91 SER CB . 16668 1 413 . 1 1 91 91 SER N N 15 117.730 . . 1 . . . . 91 SER N . 16668 1 414 . 1 1 92 92 LEU H H 1 7.140 . . 1 . . . . 92 LEU HN . 16668 1 415 . 1 1 92 92 LEU HA H 1 4.080 . . 1 . . . . 92 LEU HA . 16668 1 416 . 1 1 92 92 LEU C C 13 179.030 . . 1 . . . . 92 LEU C . 16668 1 417 . 1 1 92 92 LEU CA C 13 56.950 . . 1 . . . . 92 LEU CA . 16668 1 418 . 1 1 92 92 LEU CB C 13 40.870 . . 1 . . . . 92 LEU CB . 16668 1 419 . 1 1 92 92 LEU N N 15 124.510 . . 1 . . . . 92 LEU N . 16668 1 420 . 1 1 93 93 GLU H H 1 7.860 . . 1 . . . . 93 GLU HN . 16668 1 421 . 1 1 93 93 GLU HA H 1 3.940 . . 1 . . . . 93 GLU HA . 16668 1 422 . 1 1 93 93 GLU C C 13 178.400 . . 1 . . . . 93 GLU C . 16668 1 423 . 1 1 93 93 GLU CA C 13 59.060 . . 1 . . . . 93 GLU CA . 16668 1 424 . 1 1 93 93 GLU CB C 13 28.800 . . 1 . . . . 93 GLU CB . 16668 1 425 . 1 1 93 93 GLU N N 15 119.920 . . 1 . . . . 93 GLU N . 16668 1 426 . 1 1 94 94 ASN H H 1 7.520 . . 1 . . . . 94 ASN HN . 16668 1 427 . 1 1 94 94 ASN HA H 1 5.000 . . 1 . . . . 94 ASN HA . 16668 1 428 . 1 1 94 94 ASN C C 13 178.150 . . 1 . . . . 94 ASN C . 16668 1 429 . 1 1 94 94 ASN CA C 13 53.920 . . 1 . . . . 94 ASN CA . 16668 1 430 . 1 1 94 94 ASN CB C 13 38.850 . . 1 . . . . 94 ASN CB . 16668 1 431 . 1 1 94 94 ASN N N 15 112.980 . . 1 . . . . 94 ASN N . 16668 1 432 . 1 1 95 95 ILE H H 1 8.420 . . 1 . . . . 95 ILE HN . 16668 1 433 . 1 1 95 95 ILE C C 13 176.420 . . 1 . . . . 95 ILE C . 16668 1 434 . 1 1 95 95 ILE CA C 13 64.170 . . 1 . . . . 95 ILE CA . 16668 1 435 . 1 1 95 95 ILE CB C 13 39.200 . . 1 . . . . 95 ILE CB . 16668 1 436 . 1 1 95 95 ILE N N 15 123.700 . . 1 . . . . 95 ILE N . 16668 1 437 . 1 1 96 96 PRO C C 13 176.910 . . 1 . . . . 96 PRO C . 16668 1 438 . 1 1 96 96 PRO CA C 13 65.070 . . 1 . . . . 96 PRO CA . 16668 1 439 . 1 1 96 96 PRO CB C 13 30.910 . . 1 . . . . 96 PRO CB . 16668 1 440 . 1 1 97 97 GLU H H 1 6.540 . . 1 . . . . 97 GLU HN . 16668 1 441 . 1 1 97 97 GLU HA H 1 4.260 . . 1 . . . . 97 GLU HA . 16668 1 442 . 1 1 97 97 GLU C C 13 175.670 . . 1 . . . . 97 GLU C . 16668 1 443 . 1 1 97 97 GLU CA C 13 57.710 . . 1 . . . . 97 GLU CA . 16668 1 444 . 1 1 97 97 GLU CB C 13 31.250 . . 1 . . . . 97 GLU CB . 16668 1 445 . 1 1 97 97 GLU N N 15 115.540 . . 1 . . . . 97 GLU N . 16668 1 446 . 1 1 98 98 LYS H H 1 7.820 . . 1 . . . . 98 LYS HN . 16668 1 447 . 1 1 98 98 LYS C C 13 177.730 . . 1 . . . . 98 LYS C . 16668 1 448 . 1 1 98 98 LYS CA C 13 57.440 . . 1 . . . . 98 LYS CA . 16668 1 449 . 1 1 98 98 LYS CB C 13 35.150 . . 1 . . . . 98 LYS CB . 16668 1 450 . 1 1 98 98 LYS N N 15 116.090 . . 1 . . . . 98 LYS N . 16668 1 451 . 1 1 99 99 TRP H H 1 7.600 . . 1 . . . . 99 TRP HN . 16668 1 452 . 1 1 99 99 TRP HA H 1 4.540 . . 1 . . . . 99 TRP HA . 16668 1 453 . 1 1 99 99 TRP C C 13 177.750 . . 1 . . . . 99 TRP C . 16668 1 454 . 1 1 99 99 TRP CA C 13 60.230 . . 1 . . . . 99 TRP CA . 16668 1 455 . 1 1 99 99 TRP CB C 13 29.640 . . 1 . . . . 99 TRP CB . 16668 1 456 . 1 1 99 99 TRP N N 15 120.450 . . 1 . . . . 99 TRP N . 16668 1 457 . 1 1 100 100 THR H H 1 8.960 . . 1 . . . . 100 THR HN . 16668 1 458 . 1 1 100 100 THR HA H 1 4.100 . . 1 . . . . 100 THR HA . 16668 1 459 . 1 1 100 100 THR C C 13 177.460 . . 1 . . . . 100 THR C . 16668 1 460 . 1 1 100 100 THR CA C 13 66.100 . . 1 . . . . 100 THR CA . 16668 1 461 . 1 1 100 100 THR CB C 13 69.880 . . 1 . . . . 100 THR CB . 16668 1 462 . 1 1 100 100 THR N N 15 115.170 . . 1 . . . . 100 THR N . 16668 1 463 . 1 1 101 101 PRO C C 13 179.270 . . 1 . . . . 101 PRO C . 16668 1 464 . 1 1 101 101 PRO CA C 13 65.890 . . 1 . . . . 101 PRO CA . 16668 1 465 . 1 1 101 101 PRO CB C 13 30.660 . . 1 . . . . 101 PRO CB . 16668 1 466 . 1 1 102 102 GLU H H 1 6.930 . . 1 . . . . 102 GLU HN . 16668 1 467 . 1 1 102 102 GLU HA H 1 4.300 . . 1 . . . . 102 GLU HA . 16668 1 468 . 1 1 102 102 GLU C C 13 178.040 . . 1 . . . . 102 GLU C . 16668 1 469 . 1 1 102 102 GLU CA C 13 60.450 . . 1 . . . . 102 GLU CA . 16668 1 470 . 1 1 102 102 GLU CB C 13 30.430 . . 1 . . . . 102 GLU CB . 16668 1 471 . 1 1 102 102 GLU N N 15 116.560 . . 1 . . . . 102 GLU N . 16668 1 472 . 1 1 103 103 VAL H H 1 8.590 . . 1 . . . . 103 VAL HN . 16668 1 473 . 1 1 103 103 VAL HA H 1 3.460 . . 1 . . . . 103 VAL HA . 16668 1 474 . 1 1 103 103 VAL C C 13 177.970 . . 1 . . . . 103 VAL C . 16668 1 475 . 1 1 103 103 VAL CA C 13 66.730 . . 1 . . . . 103 VAL CA . 16668 1 476 . 1 1 103 103 VAL CB C 13 31.560 . . 1 . . . . 103 VAL CB . 16668 1 477 . 1 1 103 103 VAL N N 15 117.130 . . 1 . . . . 103 VAL N . 16668 1 478 . 1 1 104 104 LYS H H 1 8.690 . . 1 . . . . 104 LYS HN . 16668 1 479 . 1 1 104 104 LYS HA H 1 3.780 . . 1 . . . . 104 LYS HA . 16668 1 480 . 1 1 104 104 LYS C C 13 177.820 . . 1 . . . . 104 LYS C . 16668 1 481 . 1 1 104 104 LYS CA C 13 58.160 . . 1 . . . . 104 LYS CA . 16668 1 482 . 1 1 104 104 LYS CB C 13 31.420 . . 1 . . . . 104 LYS CB . 16668 1 483 . 1 1 104 104 LYS N N 15 116.940 . . 1 . . . . 104 LYS N . 16668 1 484 . 1 1 105 105 HIS H H 1 7.400 . . 1 . . . . 105 HIS HN . 16668 1 485 . 1 1 105 105 HIS HA H 1 4.200 . . 1 . . . . 105 HIS HA . 16668 1 486 . 1 1 105 105 HIS C C 13 176.440 . . 1 . . . . 105 HIS C . 16668 1 487 . 1 1 105 105 HIS CA C 13 58.660 . . 1 . . . . 105 HIS CA . 16668 1 488 . 1 1 105 105 HIS CB C 13 29.280 . . 1 . . . . 105 HIS CB . 16668 1 489 . 1 1 105 105 HIS N N 15 116.080 . . 1 . . . . 105 HIS N . 16668 1 490 . 1 1 106 106 PHE H H 1 7.470 . . 1 . . . . 106 PHE HN . 16668 1 491 . 1 1 106 106 PHE HA H 1 4.190 . . 1 . . . . 106 PHE HA . 16668 1 492 . 1 1 106 106 PHE C C 13 176.690 . . 1 . . . . 106 PHE C . 16668 1 493 . 1 1 106 106 PHE CA C 13 61.170 . . 1 . . . . 106 PHE CA . 16668 1 494 . 1 1 106 106 PHE CB C 13 42.190 . . 1 . . . . 106 PHE CB . 16668 1 495 . 1 1 106 106 PHE N N 15 113.450 . . 1 . . . . 106 PHE N . 16668 1 496 . 1 1 107 107 CYS H H 1 8.750 . . 1 . . . . 107 CYS HN . 16668 1 497 . 1 1 107 107 CYS C C 13 171.850 . . 1 . . . . 107 CYS C . 16668 1 498 . 1 1 107 107 CYS CA C 13 55.410 . . 1 . . . . 107 CYS CA . 16668 1 499 . 1 1 107 107 CYS CB C 13 28.340 . . 1 . . . . 107 CYS CB . 16668 1 500 . 1 1 107 107 CYS N N 15 117.530 . . 1 . . . . 107 CYS N . 16668 1 501 . 1 1 108 108 PRO C C 13 177.460 . . 1 . . . . 108 PRO C . 16668 1 502 . 1 1 108 108 PRO CA C 13 64.950 . . 1 . . . . 108 PRO CA . 16668 1 503 . 1 1 108 108 PRO CB C 13 31.660 . . 1 . . . . 108 PRO CB . 16668 1 504 . 1 1 109 109 ASN H H 1 8.790 . . 1 . . . . 109 ASN HN . 16668 1 505 . 1 1 109 109 ASN HA H 1 4.710 . . 1 . . . . 109 ASN HA . 16668 1 506 . 1 1 109 109 ASN C C 13 174.470 . . 1 . . . . 109 ASN C . 16668 1 507 . 1 1 109 109 ASN CA C 13 53.670 . . 1 . . . . 109 ASN CA . 16668 1 508 . 1 1 109 109 ASN CB C 13 38.650 . . 1 . . . . 109 ASN CB . 16668 1 509 . 1 1 109 109 ASN N N 15 113.740 . . 1 . . . . 109 ASN N . 16668 1 510 . 1 1 110 110 VAL H H 1 7.070 . . 1 . . . . 110 VAL HN . 16668 1 511 . 1 1 110 110 VAL HA H 1 4.330 . . 1 . . . . 110 VAL HA . 16668 1 512 . 1 1 110 110 VAL C C 13 174.050 . . 1 . . . . 110 VAL C . 16668 1 513 . 1 1 110 110 VAL CA C 13 60.160 . . 1 . . . . 110 VAL CA . 16668 1 514 . 1 1 110 110 VAL CB C 13 33.500 . . 1 . . . . 110 VAL CB . 16668 1 515 . 1 1 110 110 VAL N N 15 122.180 . . 1 . . . . 110 VAL N . 16668 1 516 . 1 1 111 111 PRO CA C 13 63.190 . . 1 . . . . 111 PRO CA . 16668 1 517 . 1 1 111 111 PRO CB C 13 32.740 . . 1 . . . . 111 PRO CB . 16668 1 518 . 1 1 112 112 ILE H H 1 8.270 . . 1 . . . . 112 ILE HN . 16668 1 519 . 1 1 112 112 ILE HA H 1 4.800 . . 1 . . . . 112 ILE HA . 16668 1 520 . 1 1 112 112 ILE C C 13 175.840 . . 1 . . . . 112 ILE C . 16668 1 521 . 1 1 112 112 ILE CA C 13 55.580 . . 1 . . . . 112 ILE CA . 16668 1 522 . 1 1 112 112 ILE CB C 13 43.140 . . 1 . . . . 112 ILE CB . 16668 1 523 . 1 1 112 112 ILE N N 15 120.010 . . 1 . . . . 112 ILE N . 16668 1 524 . 1 1 113 113 ILE H H 1 9.200 . . 1 . . . . 113 ILE HN . 16668 1 525 . 1 1 113 113 ILE HA H 1 4.560 . . 1 . . . . 113 ILE HA . 16668 1 526 . 1 1 113 113 ILE C C 13 174.560 . . 1 . . . . 113 ILE C . 16668 1 527 . 1 1 113 113 ILE CA C 13 58.800 . . 1 . . . . 113 ILE CA . 16668 1 528 . 1 1 113 113 ILE CB C 13 37.330 . . 1 . . . . 113 ILE CB . 16668 1 529 . 1 1 113 113 ILE N N 15 127.410 . . 1 . . . . 113 ILE N . 16668 1 530 . 1 1 114 114 LEU H H 1 8.430 . . 1 . . . . 114 LEU HN . 16668 1 531 . 1 1 114 114 LEU HA H 1 5.320 . . 1 . . . . 114 LEU HA . 16668 1 532 . 1 1 114 114 LEU C C 13 173.450 . . 1 . . . . 114 LEU C . 16668 1 533 . 1 1 114 114 LEU CA C 13 54.140 . . 1 . . . . 114 LEU CA . 16668 1 534 . 1 1 114 114 LEU CB C 13 43.350 . . 1 . . . . 114 LEU CB . 16668 1 535 . 1 1 114 114 LEU N N 15 130.420 . . 1 . . . . 114 LEU N . 16668 1 536 . 1 1 115 115 VAL H H 1 9.080 . . 1 . . . . 115 VAL HN . 16668 1 537 . 1 1 115 115 VAL HA H 1 4.750 . . 1 . . . . 115 VAL HA . 16668 1 538 . 1 1 115 115 VAL C C 13 174.070 . . 1 . . . . 115 VAL C . 16668 1 539 . 1 1 115 115 VAL CA C 13 60.240 . . 1 . . . . 115 VAL CA . 16668 1 540 . 1 1 115 115 VAL CB C 13 34.940 . . 1 . . . . 115 VAL CB . 16668 1 541 . 1 1 115 115 VAL N N 15 128.400 . . 1 . . . . 115 VAL N . 16668 1 542 . 1 1 116 116 GLY H H 1 8.450 . . 1 . . . . 116 GLY HN . 16668 1 543 . 1 1 116 116 GLY HA2 H 1 3.320 . . 2 . . . . 116 GLY HA1 . 16668 1 544 . 1 1 116 116 GLY HA3 H 1 3.320 . . 2 . . . . 116 GLY HA2 . 16668 1 545 . 1 1 116 116 GLY C C 13 171.430 . . 1 . . . . 116 GLY C . 16668 1 546 . 1 1 116 116 GLY CA C 13 44.650 . . 1 . . . . 116 GLY CA . 16668 1 547 . 1 1 116 116 GLY N N 15 112.160 . . 1 . . . . 116 GLY N . 16668 1 548 . 1 1 118 118 LYS C C 13 178.600 . . 1 . . . . 118 LYS C . 16668 1 549 . 1 1 119 119 LYS H H 1 8.740 . . 1 . . . . 119 LYS HN . 16668 1 550 . 1 1 119 119 LYS C C 13 177.310 . . 1 . . . . 119 LYS C . 16668 1 551 . 1 1 119 119 LYS N N 15 116.320 . . 1 . . . . 119 LYS N . 16668 1 552 . 1 1 120 120 ASP H H 1 8.800 . . 1 . . . . 120 ASP HN . 16668 1 553 . 1 1 120 120 ASP HA H 1 3.780 . . 1 . . . . 120 ASP HA . 16668 1 554 . 1 1 120 120 ASP C C 13 176.340 . . 1 . . . . 120 ASP C . 16668 1 555 . 1 1 120 120 ASP CA C 13 55.370 . . 1 . . . . 120 ASP CA . 16668 1 556 . 1 1 120 120 ASP CB C 13 40.190 . . 1 . . . . 120 ASP CB . 16668 1 557 . 1 1 120 120 ASP N N 15 115.530 . . 1 . . . . 120 ASP N . 16668 1 558 . 1 1 121 121 LEU H H 1 8.120 . . 1 . . . . 121 LEU HN . 16668 1 559 . 1 1 121 121 LEU C C 13 177.790 . . 1 . . . . 121 LEU C . 16668 1 560 . 1 1 121 121 LEU CA C 13 55.000 . . 1 . . . . 121 LEU CA . 16668 1 561 . 1 1 121 121 LEU CB C 13 40.670 . . 1 . . . . 121 LEU CB . 16668 1 562 . 1 1 121 121 LEU N N 15 118.300 . . 1 . . . . 121 LEU N . 16668 1 563 . 1 1 122 122 ARG H H 1 7.360 . . 1 . . . . 122 ARG HN . 16668 1 564 . 1 1 122 122 ARG HA H 1 3.580 . . 1 . . . . 122 ARG HA . 16668 1 565 . 1 1 122 122 ARG C C 13 175.620 . . 1 . . . . 122 ARG C . 16668 1 566 . 1 1 122 122 ARG CA C 13 60.470 . . 1 . . . . 122 ARG CA . 16668 1 567 . 1 1 122 122 ARG CB C 13 29.680 . . 1 . . . . 122 ARG CB . 16668 1 568 . 1 1 122 122 ARG N N 15 118.020 . . 1 . . . . 122 ARG N . 16668 1 569 . 1 1 123 123 ASN H H 1 7.800 . . 1 . . . . 123 ASN HN . 16668 1 570 . 1 1 123 123 ASN HA H 1 4.970 . . 1 . . . . 123 ASN HA . 16668 1 571 . 1 1 123 123 ASN C C 13 174.430 . . 1 . . . . 123 ASN C . 16668 1 572 . 1 1 123 123 ASN CA C 13 51.670 . . 1 . . . . 123 ASN CA . 16668 1 573 . 1 1 123 123 ASN CB C 13 38.720 . . 1 . . . . 123 ASN CB . 16668 1 574 . 1 1 123 123 ASN N N 15 111.730 . . 1 . . . . 123 ASN N . 16668 1 575 . 1 1 124 124 ASP H H 1 7.110 . . 1 . . . . 124 ASP HN . 16668 1 576 . 1 1 124 124 ASP HA H 1 4.710 . . 1 . . . . 124 ASP HA . 16668 1 577 . 1 1 124 124 ASP C C 13 175.660 . . 1 . . . . 124 ASP C . 16668 1 578 . 1 1 124 124 ASP CA C 13 54.000 . . 1 . . . . 124 ASP CA . 16668 1 579 . 1 1 124 124 ASP CB C 13 44.160 . . 1 . . . . 124 ASP CB . 16668 1 580 . 1 1 124 124 ASP N N 15 121.270 . . 1 . . . . 124 ASP N . 16668 1 581 . 1 1 125 125 GLU H H 1 9.220 . . 1 . . . . 125 GLU HN . 16668 1 582 . 1 1 125 125 GLU C C 13 178.160 . . 1 . . . . 125 GLU C . 16668 1 583 . 1 1 125 125 GLU CA C 13 60.190 . . 1 . . . . 125 GLU CA . 16668 1 584 . 1 1 125 125 GLU CB C 13 29.710 . . 1 . . . . 125 GLU CB . 16668 1 585 . 1 1 125 125 GLU N N 15 130.090 . . 1 . . . . 125 GLU N . 16668 1 586 . 1 1 126 126 HIS H H 1 8.540 . . 1 . . . . 126 HIS HN . 16668 1 587 . 1 1 126 126 HIS HA H 1 4.310 . . 1 . . . . 126 HIS HA . 16668 1 588 . 1 1 126 126 HIS C C 13 177.010 . . 1 . . . . 126 HIS C . 16668 1 589 . 1 1 126 126 HIS CA C 13 60.190 . . 1 . . . . 126 HIS CA . 16668 1 590 . 1 1 126 126 HIS CB C 13 29.610 . . 1 . . . . 126 HIS CB . 16668 1 591 . 1 1 126 126 HIS N N 15 119.640 . . 1 . . . . 126 HIS N . 16668 1 592 . 1 1 127 127 THR H H 1 8.350 . . 1 . . . . 127 THR HN . 16668 1 593 . 1 1 127 127 THR C C 13 176.300 . . 1 . . . . 127 THR C . 16668 1 594 . 1 1 127 127 THR CA C 13 67.260 . . 1 . . . . 127 THR CA . 16668 1 595 . 1 1 127 127 THR CB C 13 68.910 . . 1 . . . . 127 THR CB . 16668 1 596 . 1 1 127 127 THR N N 15 117.780 . . 1 . . . . 127 THR N . 16668 1 597 . 1 1 128 128 ARG H H 1 8.280 . . 1 . . . . 128 ARG HN . 16668 1 598 . 1 1 128 128 ARG HA H 1 3.830 . . 1 . . . . 128 ARG HA . 16668 1 599 . 1 1 128 128 ARG C C 13 179.560 . . 1 . . . . 128 ARG C . 16668 1 600 . 1 1 128 128 ARG CA C 13 60.720 . . 1 . . . . 128 ARG CA . 16668 1 601 . 1 1 128 128 ARG CB C 13 30.200 . . 1 . . . . 128 ARG CB . 16668 1 602 . 1 1 128 128 ARG N N 15 118.880 . . 1 . . . . 128 ARG N . 16668 1 603 . 1 1 129 129 ARG H H 1 8.390 . . 1 . . . . 129 ARG HN . 16668 1 604 . 1 1 129 129 ARG HA H 1 4.070 . . 1 . . . . 129 ARG HA . 16668 1 605 . 1 1 129 129 ARG C C 13 179.370 . . 1 . . . . 129 ARG C . 16668 1 606 . 1 1 129 129 ARG CA C 13 59.640 . . 1 . . . . 129 ARG CA . 16668 1 607 . 1 1 129 129 ARG CB C 13 30.290 . . 1 . . . . 129 ARG CB . 16668 1 608 . 1 1 129 129 ARG N N 15 120.890 . . 1 . . . . 129 ARG N . 16668 1 609 . 1 1 130 130 GLU H H 1 8.390 . . 1 . . . . 130 GLU HN . 16668 1 610 . 1 1 130 130 GLU HA H 1 3.970 . . 1 . . . . 130 GLU HA . 16668 1 611 . 1 1 130 130 GLU C C 13 180.590 . . 1 . . . . 130 GLU C . 16668 1 612 . 1 1 130 130 GLU CA C 13 59.230 . . 1 . . . . 130 GLU CA . 16668 1 613 . 1 1 130 130 GLU CB C 13 29.340 . . 1 . . . . 130 GLU CB . 16668 1 614 . 1 1 130 130 GLU N N 15 120.050 . . 1 . . . . 130 GLU N . 16668 1 615 . 1 1 131 131 LEU H H 1 8.460 . . 1 . . . . 131 LEU HN . 16668 1 616 . 1 1 131 131 LEU HA H 1 4.100 . . 1 . . . . 131 LEU HA . 16668 1 617 . 1 1 131 131 LEU C C 13 180.330 . . 1 . . . . 131 LEU C . 16668 1 618 . 1 1 131 131 LEU CA C 13 57.640 . . 1 . . . . 131 LEU CA . 16668 1 619 . 1 1 131 131 LEU CB C 13 41.680 . . 1 . . . . 131 LEU CB . 16668 1 620 . 1 1 131 131 LEU N N 15 119.600 . . 1 . . . . 131 LEU N . 16668 1 621 . 1 1 132 132 ALA H H 1 8.120 . . 1 . . . . 132 ALA HN . 16668 1 622 . 1 1 132 132 ALA HA H 1 4.370 . . 1 . . . . 132 ALA HA . 16668 1 623 . 1 1 132 132 ALA C C 13 181.750 . . 1 . . . . 132 ALA C . 16668 1 624 . 1 1 132 132 ALA CA C 13 55.210 . . 1 . . . . 132 ALA CA . 16668 1 625 . 1 1 132 132 ALA CB C 13 17.760 . . 1 . . . . 132 ALA CB . 16668 1 626 . 1 1 132 132 ALA N N 15 122.310 . . 1 . . . . 132 ALA N . 16668 1 627 . 1 1 133 133 LYS H H 1 7.480 . . 1 . . . . 133 LYS HN . 16668 1 628 . 1 1 133 133 LYS HA H 1 4.170 . . 1 . . . . 133 LYS HA . 16668 1 629 . 1 1 133 133 LYS C C 13 177.770 . . 1 . . . . 133 LYS C . 16668 1 630 . 1 1 133 133 LYS CA C 13 59.560 . . 1 . . . . 133 LYS CA . 16668 1 631 . 1 1 133 133 LYS CB C 13 32.700 . . 1 . . . . 133 LYS CB . 16668 1 632 . 1 1 133 133 LYS N N 15 119.590 . . 1 . . . . 133 LYS N . 16668 1 633 . 1 1 134 134 MET H H 1 7.400 . . 1 . . . . 134 MET HN . 16668 1 634 . 1 1 134 134 MET HA H 1 4.200 . . 1 . . . . 134 MET HA . 16668 1 635 . 1 1 134 134 MET C C 13 174.870 . . 1 . . . . 134 MET C . 16668 1 636 . 1 1 134 134 MET CA C 13 53.670 . . 1 . . . . 134 MET CA . 16668 1 637 . 1 1 134 134 MET CB C 13 32.030 . . 1 . . . . 134 MET CB . 16668 1 638 . 1 1 134 134 MET N N 15 116.080 . . 1 . . . . 134 MET N . 16668 1 639 . 1 1 135 135 LYS H H 1 8.010 . . 1 . . . . 135 LYS HN . 16668 1 640 . 1 1 135 135 LYS HA H 1 3.950 . . 1 . . . . 135 LYS HA . 16668 1 641 . 1 1 135 135 LYS C C 13 175.330 . . 1 . . . . 135 LYS C . 16668 1 642 . 1 1 135 135 LYS CA C 13 57.350 . . 1 . . . . 135 LYS CA . 16668 1 643 . 1 1 135 135 LYS CB C 13 28.810 . . 1 . . . . 135 LYS CB . 16668 1 644 . 1 1 135 135 LYS N N 15 114.720 . . 1 . . . . 135 LYS N . 16668 1 645 . 1 1 136 136 GLN H H 1 7.880 . . 1 . . . . 136 GLN HN . 16668 1 646 . 1 1 136 136 GLN C C 13 173.220 . . 1 . . . . 136 GLN C . 16668 1 647 . 1 1 136 136 GLN CA C 13 53.960 . . 1 . . . . 136 GLN CA . 16668 1 648 . 1 1 136 136 GLN CB C 13 33.750 . . 1 . . . . 136 GLN CB . 16668 1 649 . 1 1 136 136 GLN N N 15 116.130 . . 1 . . . . 136 GLN N . 16668 1 650 . 1 1 137 137 GLU H H 1 8.250 . . 1 . . . . 137 GLU HN . 16668 1 651 . 1 1 137 137 GLU HA H 1 4.830 . . 1 . . . . 137 GLU HA . 16668 1 652 . 1 1 137 137 GLU C C 13 171.760 . . 1 . . . . 137 GLU C . 16668 1 653 . 1 1 137 137 GLU CA C 13 54.220 . . 1 . . . . 137 GLU CA . 16668 1 654 . 1 1 137 137 GLU CB C 13 31.670 . . 1 . . . . 137 GLU CB . 16668 1 655 . 1 1 137 137 GLU N N 15 119.200 . . 1 . . . . 137 GLU N . 16668 1 656 . 1 1 138 138 PRO C C 13 175.980 . . 1 . . . . 138 PRO C . 16668 1 657 . 1 1 138 138 PRO CA C 13 63.170 . . 1 . . . . 138 PRO CA . 16668 1 658 . 1 1 138 138 PRO CB C 13 32.050 . . 1 . . . . 138 PRO CB . 16668 1 659 . 1 1 139 139 VAL H H 1 8.860 . . 1 . . . . 139 VAL HN . 16668 1 660 . 1 1 139 139 VAL C C 13 176.770 . . 1 . . . . 139 VAL C . 16668 1 661 . 1 1 139 139 VAL CA C 13 64.200 . . 1 . . . . 139 VAL CA . 16668 1 662 . 1 1 139 139 VAL CB C 13 33.750 . . 1 . . . . 139 VAL CB . 16668 1 663 . 1 1 139 139 VAL N N 15 123.590 . . 1 . . . . 139 VAL N . 16668 1 664 . 1 1 140 140 LYS H H 1 9.180 . . 1 . . . . 140 LYS HN . 16668 1 665 . 1 1 140 140 LYS C C 13 175.710 . . 1 . . . . 140 LYS C . 16668 1 666 . 1 1 140 140 LYS CA C 13 55.110 . . 1 . . . . 140 LYS CA . 16668 1 667 . 1 1 140 140 LYS CB C 13 31.890 . . 1 . . . . 140 LYS CB . 16668 1 668 . 1 1 140 140 LYS N N 15 130.530 . . 1 . . . . 140 LYS N . 16668 1 669 . 1 1 141 141 PRO C C 13 179.270 . . 1 . . . . 141 PRO C . 16668 1 670 . 1 1 141 141 PRO CA C 13 66.030 . . 1 . . . . 141 PRO CA . 16668 1 671 . 1 1 141 141 PRO CB C 13 31.600 . . 1 . . . . 141 PRO CB . 16668 1 672 . 1 1 142 142 GLU H H 1 9.570 . . 1 . . . . 142 GLU HN . 16668 1 673 . 1 1 142 142 GLU HA H 1 3.870 . . 1 . . . . 142 GLU HA . 16668 1 674 . 1 1 142 142 GLU C C 13 178.720 . . 1 . . . . 142 GLU C . 16668 1 675 . 1 1 142 142 GLU CA C 13 59.780 . . 1 . . . . 142 GLU CA . 16668 1 676 . 1 1 142 142 GLU CB C 13 28.430 . . 1 . . . . 142 GLU CB . 16668 1 677 . 1 1 142 142 GLU N N 15 115.170 . . 1 . . . . 142 GLU N . 16668 1 678 . 1 1 143 143 GLU H H 1 7.260 . . 1 . . . . 143 GLU HN . 16668 1 679 . 1 1 143 143 GLU HA H 1 4.090 . . 1 . . . . 143 GLU HA . 16668 1 680 . 1 1 143 143 GLU C C 13 180.570 . . 1 . . . . 143 GLU C . 16668 1 681 . 1 1 143 143 GLU CA C 13 58.290 . . 1 . . . . 143 GLU CA . 16668 1 682 . 1 1 143 143 GLU CB C 13 29.680 . . 1 . . . . 143 GLU CB . 16668 1 683 . 1 1 143 143 GLU N N 15 118.930 . . 1 . . . . 143 GLU N . 16668 1 684 . 1 1 144 144 GLY H H 1 7.430 . . 1 . . . . 144 GLY HN . 16668 1 685 . 1 1 144 144 GLY C C 13 174.310 . . 1 . . . . 144 GLY C . 16668 1 686 . 1 1 144 144 GLY CA C 13 46.670 . . 1 . . . . 144 GLY CA . 16668 1 687 . 1 1 144 144 GLY N N 15 108.430 . . 1 . . . . 144 GLY N . 16668 1 688 . 1 1 145 145 ARG H H 1 7.660 . . 1 . . . . 145 ARG HN . 16668 1 689 . 1 1 145 145 ARG C C 13 178.830 . . 1 . . . . 145 ARG C . 16668 1 690 . 1 1 145 145 ARG CA C 13 59.230 . . 1 . . . . 145 ARG CA . 16668 1 691 . 1 1 145 145 ARG CB C 13 30.150 . . 1 . . . . 145 ARG CB . 16668 1 692 . 1 1 145 145 ARG N N 15 121.200 . . 1 . . . . 145 ARG N . 16668 1 693 . 1 1 146 146 ASP H H 1 7.960 . . 1 . . . . 146 ASP HN . 16668 1 694 . 1 1 146 146 ASP HA H 1 4.450 . . 1 . . . . 146 ASP HA . 16668 1 695 . 1 1 146 146 ASP C C 13 178.930 . . 1 . . . . 146 ASP C . 16668 1 696 . 1 1 146 146 ASP CA C 13 57.150 . . 1 . . . . 146 ASP CA . 16668 1 697 . 1 1 146 146 ASP CB C 13 40.600 . . 1 . . . . 146 ASP CB . 16668 1 698 . 1 1 146 146 ASP N N 15 118.860 . . 1 . . . . 146 ASP N . 16668 1 699 . 1 1 147 147 MET H H 1 7.610 . . 1 . . . . 147 MET HN . 16668 1 700 . 1 1 147 147 MET HA H 1 4.540 . . 1 . . . . 147 MET HA . 16668 1 701 . 1 1 147 147 MET C C 13 177.460 . . 1 . . . . 147 MET C . 16668 1 702 . 1 1 147 147 MET CA C 13 56.670 . . 1 . . . . 147 MET CA . 16668 1 703 . 1 1 147 147 MET CB C 13 29.640 . . 1 . . . . 147 MET CB . 16668 1 704 . 1 1 147 147 MET N N 15 120.520 . . 1 . . . . 147 MET N . 16668 1 705 . 1 1 148 148 ALA H H 1 8.200 . . 1 . . . . 148 ALA HN . 16668 1 706 . 1 1 148 148 ALA HA H 1 4.070 . . 1 . . . . 148 ALA HA . 16668 1 707 . 1 1 148 148 ALA C C 13 179.100 . . 1 . . . . 148 ALA C . 16668 1 708 . 1 1 148 148 ALA CA C 13 55.500 . . 1 . . . . 148 ALA CA . 16668 1 709 . 1 1 148 148 ALA CB C 13 18.560 . . 1 . . . . 148 ALA CB . 16668 1 710 . 1 1 148 148 ALA N N 15 121.650 . . 1 . . . . 148 ALA N . 16668 1 711 . 1 1 149 149 ASN H H 1 7.810 . . 1 . . . . 149 ASN HN . 16668 1 712 . 1 1 149 149 ASN HA H 1 4.570 . . 1 . . . . 149 ASN HA . 16668 1 713 . 1 1 149 149 ASN C C 13 178.170 . . 1 . . . . 149 ASN C . 16668 1 714 . 1 1 149 149 ASN CA C 13 55.570 . . 1 . . . . 149 ASN CA . 16668 1 715 . 1 1 149 149 ASN CB C 13 38.100 . . 1 . . . . 149 ASN CB . 16668 1 716 . 1 1 149 149 ASN N N 15 116.110 . . 1 . . . . 149 ASN N . 16668 1 717 . 1 1 150 150 ARG H H 1 8.210 . . 1 . . . . 150 ARG HN . 16668 1 718 . 1 1 150 150 ARG HA H 1 4.010 . . 1 . . . . 150 ARG HA . 16668 1 719 . 1 1 150 150 ARG C C 13 178.930 . . 1 . . . . 150 ARG C . 16668 1 720 . 1 1 150 150 ARG CA C 13 59.710 . . 1 . . . . 150 ARG CA . 16668 1 721 . 1 1 150 150 ARG CB C 13 30.470 . . 1 . . . . 150 ARG CB . 16668 1 722 . 1 1 150 150 ARG N N 15 122.520 . . 1 . . . . 150 ARG N . 16668 1 723 . 1 1 151 151 ILE H H 1 7.900 . . 1 . . . . 151 ILE HN . 16668 1 724 . 1 1 151 151 ILE HA H 1 4.440 . . 1 . . . . 151 ILE HA . 16668 1 725 . 1 1 151 151 ILE C C 13 176.180 . . 1 . . . . 151 ILE C . 16668 1 726 . 1 1 151 151 ILE CA C 13 61.630 . . 1 . . . . 151 ILE CA . 16668 1 727 . 1 1 151 151 ILE CB C 13 38.680 . . 1 . . . . 151 ILE CB . 16668 1 728 . 1 1 151 151 ILE N N 15 109.030 . . 1 . . . . 151 ILE N . 16668 1 729 . 1 1 152 152 GLY H H 1 7.640 . . 1 . . . . 152 GLY HN . 16668 1 730 . 1 1 152 152 GLY C C 13 175.980 . . 1 . . . . 152 GLY C . 16668 1 731 . 1 1 152 152 GLY CA C 13 46.200 . . 1 . . . . 152 GLY CA . 16668 1 732 . 1 1 152 152 GLY N N 15 110.520 . . 1 . . . . 152 GLY N . 16668 1 733 . 1 1 153 153 ALA H H 1 8.580 . . 1 . . . . 153 ALA HN . 16668 1 734 . 1 1 153 153 ALA HA H 1 4.360 . . 1 . . . . 153 ALA HA . 16668 1 735 . 1 1 153 153 ALA C C 13 176.690 . . 1 . . . . 153 ALA C . 16668 1 736 . 1 1 153 153 ALA CA C 13 52.600 . . 1 . . . . 153 ALA CA . 16668 1 737 . 1 1 153 153 ALA CB C 13 18.900 . . 1 . . . . 153 ALA CB . 16668 1 738 . 1 1 153 153 ALA N N 15 122.140 . . 1 . . . . 153 ALA N . 16668 1 739 . 1 1 154 154 PHE H H 1 9.760 . . 1 . . . . 154 PHE HN . 16668 1 740 . 1 1 154 154 PHE HA H 1 4.200 . . 1 . . . . 154 PHE HA . 16668 1 741 . 1 1 154 154 PHE C C 13 176.000 . . 1 . . . . 154 PHE C . 16668 1 742 . 1 1 154 154 PHE CA C 13 60.330 . . 1 . . . . 154 PHE CA . 16668 1 743 . 1 1 154 154 PHE CB C 13 39.780 . . 1 . . . . 154 PHE CB . 16668 1 744 . 1 1 154 154 PHE N N 15 125.120 . . 1 . . . . 154 PHE N . 16668 1 745 . 1 1 155 155 GLY H H 1 7.310 . . 1 . . . . 155 GLY HN . 16668 1 746 . 1 1 155 155 GLY C C 13 169.190 . . 1 . . . . 155 GLY C . 16668 1 747 . 1 1 155 155 GLY CA C 13 44.950 . . 1 . . . . 155 GLY CA . 16668 1 748 . 1 1 155 155 GLY N N 15 99.880 . . 1 . . . . 155 GLY N . 16668 1 749 . 1 1 156 156 TYR H H 1 8.270 . . 1 . . . . 156 TYR HN . 16668 1 750 . 1 1 156 156 TYR HA H 1 5.850 . . 1 . . . . 156 TYR HA . 16668 1 751 . 1 1 156 156 TYR C C 13 174.210 . . 1 . . . . 156 TYR C . 16668 1 752 . 1 1 156 156 TYR CA C 13 55.560 . . 1 . . . . 156 TYR CA . 16668 1 753 . 1 1 156 156 TYR CB C 13 41.680 . . 1 . . . . 156 TYR CB . 16668 1 754 . 1 1 156 156 TYR N N 15 120.010 . . 1 . . . . 156 TYR N . 16668 1 755 . 1 1 157 157 MET H H 1 8.250 . . 1 . . . . 157 MET HN . 16668 1 756 . 1 1 157 157 MET HA H 1 4.570 . . 1 . . . . 157 MET HA . 16668 1 757 . 1 1 157 157 MET C C 13 172.470 . . 1 . . . . 157 MET C . 16668 1 758 . 1 1 157 157 MET CA C 13 52.330 . . 1 . . . . 157 MET CA . 16668 1 759 . 1 1 157 157 MET CB C 13 36.990 . . 1 . . . . 157 MET CB . 16668 1 760 . 1 1 157 157 MET N N 15 125.800 . . 1 . . . . 157 MET N . 16668 1 761 . 1 1 158 158 GLU H H 1 7.810 . . 1 . . . . 158 GLU HN . 16668 1 762 . 1 1 158 158 GLU HA H 1 5.200 . . 1 . . . . 158 GLU HA . 16668 1 763 . 1 1 158 158 GLU C C 13 176.690 . . 1 . . . . 158 GLU C . 16668 1 764 . 1 1 158 158 GLU CA C 13 53.580 . . 1 . . . . 158 GLU CA . 16668 1 765 . 1 1 158 158 GLU CB C 13 33.120 . . 1 . . . . 158 GLU CB . 16668 1 766 . 1 1 158 158 GLU N N 15 116.550 . . 1 . . . . 158 GLU N . 16668 1 767 . 1 1 159 159 CYS H H 1 9.140 . . 1 . . . . 159 CYS HN . 16668 1 768 . 1 1 159 159 CYS HA H 1 5.120 . . 1 . . . . 159 CYS HA . 16668 1 769 . 1 1 159 159 CYS C C 13 172.100 . . 1 . . . . 159 CYS C . 16668 1 770 . 1 1 159 159 CYS CA C 13 55.790 . . 1 . . . . 159 CYS CA . 16668 1 771 . 1 1 159 159 CYS CB C 13 31.800 . . 1 . . . . 159 CYS CB . 16668 1 772 . 1 1 159 159 CYS N N 15 114.900 . . 1 . . . . 159 CYS N . 16668 1 773 . 1 1 160 160 SER H H 1 8.810 . . 1 . . . . 160 SER HN . 16668 1 774 . 1 1 160 160 SER HA H 1 5.200 . . 1 . . . . 160 SER HA . 16668 1 775 . 1 1 160 160 SER C C 13 175.010 . . 1 . . . . 160 SER C . 16668 1 776 . 1 1 160 160 SER CA C 13 55.860 . . 1 . . . . 160 SER CA . 16668 1 777 . 1 1 160 160 SER CB C 13 64.450 . . 1 . . . . 160 SER CB . 16668 1 778 . 1 1 160 160 SER N N 15 112.020 . . 1 . . . . 160 SER N . 16668 1 779 . 1 1 161 161 ALA H H 1 9.450 . . 1 . . . . 161 ALA HN . 16668 1 780 . 1 1 161 161 ALA HA H 1 5.310 . . 1 . . . . 161 ALA HA . 16668 1 781 . 1 1 161 161 ALA C C 13 174.250 . . 1 . . . . 161 ALA C . 16668 1 782 . 1 1 161 161 ALA CA C 13 54.800 . . 1 . . . . 161 ALA CA . 16668 1 783 . 1 1 161 161 ALA CB C 13 17.650 . . 1 . . . . 161 ALA CB . 16668 1 784 . 1 1 161 161 ALA N N 15 134.190 . . 1 . . . . 161 ALA N . 16668 1 785 . 1 1 162 162 LYS H H 1 7.150 . . 1 . . . . 162 LYS HN . 16668 1 786 . 1 1 162 162 LYS C C 13 177.710 . . 1 . . . . 162 LYS C . 16668 1 787 . 1 1 162 162 LYS CA C 13 58.220 . . 1 . . . . 162 LYS CA . 16668 1 788 . 1 1 162 162 LYS CB C 13 34.390 . . 1 . . . . 162 LYS CB . 16668 1 789 . 1 1 162 162 LYS N N 15 114.800 . . 1 . . . . 162 LYS N . 16668 1 790 . 1 1 163 163 THR H H 1 7.850 . . 1 . . . . 163 THR HN . 16668 1 791 . 1 1 163 163 THR HA H 1 4.320 . . 1 . . . . 163 THR HA . 16668 1 792 . 1 1 163 163 THR C C 13 175.370 . . 1 . . . . 163 THR C . 16668 1 793 . 1 1 163 163 THR CA C 13 61.130 . . 1 . . . . 163 THR CA . 16668 1 794 . 1 1 163 163 THR CB C 13 69.450 . . 1 . . . . 163 THR CB . 16668 1 795 . 1 1 163 163 THR N N 15 106.160 . . 1 . . . . 163 THR N . 16668 1 796 . 1 1 164 164 LYS H H 1 7.810 . . 1 . . . . 164 LYS HN . 16668 1 797 . 1 1 164 164 LYS HA H 1 3.710 . . 1 . . . . 164 LYS HA . 16668 1 798 . 1 1 164 164 LYS C C 13 175.430 . . 1 . . . . 164 LYS C . 16668 1 799 . 1 1 164 164 LYS CA C 13 59.970 . . 1 . . . . 164 LYS CA . 16668 1 800 . 1 1 164 164 LYS CB C 13 30.160 . . 1 . . . . 164 LYS CB . 16668 1 801 . 1 1 164 164 LYS N N 15 118.240 . . 1 . . . . 164 LYS N . 16668 1 802 . 1 1 165 165 ASP H H 1 7.920 . . 1 . . . . 165 ASP HN . 16668 1 803 . 1 1 165 165 ASP HA H 1 4.560 . . 1 . . . . 165 ASP HA . 16668 1 804 . 1 1 165 165 ASP C C 13 177.260 . . 1 . . . . 165 ASP C . 16668 1 805 . 1 1 165 165 ASP CA C 13 55.140 . . 1 . . . . 165 ASP CA . 16668 1 806 . 1 1 165 165 ASP CB C 13 42.140 . . 1 . . . . 165 ASP CB . 16668 1 807 . 1 1 165 165 ASP N N 15 121.960 . . 1 . . . . 165 ASP N . 16668 1 808 . 1 1 166 166 GLY H H 1 9.160 . . 1 . . . . 166 GLY HN . 16668 1 809 . 1 1 166 166 GLY HA2 H 1 4.090 . . 2 . . . . 166 GLY HA1 . 16668 1 810 . 1 1 166 166 GLY HA3 H 1 4.090 . . 2 . . . . 166 GLY HA2 . 16668 1 811 . 1 1 166 166 GLY C C 13 174.680 . . 1 . . . . 166 GLY C . 16668 1 812 . 1 1 166 166 GLY CA C 13 46.440 . . 1 . . . . 166 GLY CA . 16668 1 813 . 1 1 166 166 GLY N N 15 115.460 . . 1 . . . . 166 GLY N . 16668 1 814 . 1 1 167 167 VAL H H 1 7.390 . . 1 . . . . 167 VAL HN . 16668 1 815 . 1 1 167 167 VAL HA H 1 3.350 . . 1 . . . . 167 VAL HA . 16668 1 816 . 1 1 167 167 VAL C C 13 177.170 . . 1 . . . . 167 VAL C . 16668 1 817 . 1 1 167 167 VAL CA C 13 67.600 . . 1 . . . . 167 VAL CA . 16668 1 818 . 1 1 167 167 VAL CB C 13 31.360 . . 1 . . . . 167 VAL CB . 16668 1 819 . 1 1 167 167 VAL N N 15 120.110 . . 1 . . . . 167 VAL N . 16668 1 820 . 1 1 168 168 ARG H H 1 8.710 . . 1 . . . . 168 ARG HN . 16668 1 821 . 1 1 168 168 ARG HA H 1 4.010 . . 1 . . . . 168 ARG HA . 16668 1 822 . 1 1 168 168 ARG C C 13 178.460 . . 1 . . . . 168 ARG C . 16668 1 823 . 1 1 168 168 ARG CA C 13 60.230 . . 1 . . . . 168 ARG CA . 16668 1 824 . 1 1 168 168 ARG CB C 13 29.080 . . 1 . . . . 168 ARG CB . 16668 1 825 . 1 1 168 168 ARG N N 15 119.180 . . 1 . . . . 168 ARG N . 16668 1 826 . 1 1 169 169 GLU H H 1 9.400 . . 1 . . . . 169 GLU HN . 16668 1 827 . 1 1 169 169 GLU HA H 1 4.000 . . 1 . . . . 169 GLU HA . 16668 1 828 . 1 1 169 169 GLU C C 13 179.980 . . 1 . . . . 169 GLU C . 16668 1 829 . 1 1 169 169 GLU CA C 13 61.360 . . 1 . . . . 169 GLU CA . 16668 1 830 . 1 1 169 169 GLU CB C 13 28.710 . . 1 . . . . 169 GLU CB . 16668 1 831 . 1 1 169 169 GLU N N 15 118.370 . . 1 . . . . 169 GLU N . 16668 1 832 . 1 1 170 170 VAL H H 1 7.850 . . 1 . . . . 170 VAL HN . 16668 1 833 . 1 1 170 170 VAL HA H 1 3.250 . . 1 . . . . 170 VAL HA . 16668 1 834 . 1 1 170 170 VAL C C 13 176.590 . . 1 . . . . 170 VAL C . 16668 1 835 . 1 1 170 170 VAL CA C 13 67.200 . . 1 . . . . 170 VAL CA . 16668 1 836 . 1 1 170 170 VAL CB C 13 31.160 . . 1 . . . . 170 VAL CB . 16668 1 837 . 1 1 170 170 VAL N N 15 121.360 . . 1 . . . . 170 VAL N . 16668 1 838 . 1 1 171 171 PHE H H 1 7.020 . . 1 . . . . 171 PHE HN . 16668 1 839 . 1 1 171 171 PHE HA H 1 3.570 . . 1 . . . . 171 PHE HA . 16668 1 840 . 1 1 171 171 PHE C C 13 179.330 . . 1 . . . . 171 PHE C . 16668 1 841 . 1 1 171 171 PHE CA C 13 62.650 . . 1 . . . . 171 PHE CA . 16668 1 842 . 1 1 171 171 PHE CB C 13 39.150 . . 1 . . . . 171 PHE CB . 16668 1 843 . 1 1 171 171 PHE N N 15 116.570 . . 1 . . . . 171 PHE N . 16668 1 844 . 1 1 172 172 GLU H H 1 9.040 . . 1 . . . . 172 GLU HN . 16668 1 845 . 1 1 172 172 GLU HA H 1 3.850 . . 1 . . . . 172 GLU HA . 16668 1 846 . 1 1 172 172 GLU C C 13 177.720 . . 1 . . . . 172 GLU C . 16668 1 847 . 1 1 172 172 GLU CA C 13 60.580 . . 1 . . . . 172 GLU CA . 16668 1 848 . 1 1 172 172 GLU CB C 13 29.690 . . 1 . . . . 172 GLU CB . 16668 1 849 . 1 1 172 172 GLU N N 15 124.220 . . 1 . . . . 172 GLU N . 16668 1 850 . 1 1 173 173 MET H H 1 7.960 . . 1 . . . . 173 MET HN . 16668 1 851 . 1 1 173 173 MET HA H 1 4.080 . . 1 . . . . 173 MET HA . 16668 1 852 . 1 1 173 173 MET C C 13 177.940 . . 1 . . . . 173 MET C . 16668 1 853 . 1 1 173 173 MET CA C 13 59.230 . . 1 . . . . 173 MET CA . 16668 1 854 . 1 1 173 173 MET CB C 13 32.770 . . 1 . . . . 173 MET CB . 16668 1 855 . 1 1 173 173 MET N N 15 119.640 . . 1 . . . . 173 MET N . 16668 1 856 . 1 1 174 174 ALA H H 1 8.200 . . 1 . . . . 174 ALA HN . 16668 1 857 . 1 1 174 174 ALA HA H 1 3.600 . . 1 . . . . 174 ALA HA . 16668 1 858 . 1 1 174 174 ALA C C 13 178.290 . . 1 . . . . 174 ALA C . 16668 1 859 . 1 1 174 174 ALA CA C 13 54.630 . . 1 . . . . 174 ALA CA . 16668 1 860 . 1 1 174 174 ALA CB C 13 18.630 . . 1 . . . . 174 ALA CB . 16668 1 861 . 1 1 174 174 ALA N N 15 119.140 . . 1 . . . . 174 ALA N . 16668 1 862 . 1 1 175 175 THR H H 1 7.840 . . 1 . . . . 175 THR HN . 16668 1 863 . 1 1 175 175 THR HA H 1 3.440 . . 1 . . . . 175 THR HA . 16668 1 864 . 1 1 175 175 THR C C 13 175.770 . . 1 . . . . 175 THR C . 16668 1 865 . 1 1 175 175 THR CA C 13 68.130 . . 1 . . . . 175 THR CA . 16668 1 866 . 1 1 175 175 THR N N 15 114.490 . . 1 . . . . 175 THR N . 16668 1 867 . 1 1 176 176 ARG H H 1 8.210 . . 1 . . . . 176 ARG HN . 16668 1 868 . 1 1 176 176 ARG HA H 1 3.790 . . 1 . . . . 176 ARG HA . 16668 1 869 . 1 1 176 176 ARG C C 13 179.460 . . 1 . . . . 176 ARG C . 16668 1 870 . 1 1 176 176 ARG CA C 13 61.100 . . 1 . . . . 176 ARG CA . 16668 1 871 . 1 1 176 176 ARG CB C 13 29.420 . . 1 . . . . 176 ARG CB . 16668 1 872 . 1 1 176 176 ARG N N 15 120.780 . . 1 . . . . 176 ARG N . 16668 1 873 . 1 1 177 177 ALA H H 1 8.030 . . 1 . . . . 177 ALA HN . 16668 1 874 . 1 1 177 177 ALA HA H 1 3.250 . . 1 . . . . 177 ALA HA . 16668 1 875 . 1 1 177 177 ALA C C 13 179.560 . . 1 . . . . 177 ALA C . 16668 1 876 . 1 1 177 177 ALA CA C 13 55.140 . . 1 . . . . 177 ALA CA . 16668 1 877 . 1 1 177 177 ALA CB C 13 16.620 . . 1 . . . . 177 ALA CB . 16668 1 878 . 1 1 177 177 ALA N N 15 120.620 . . 1 . . . . 177 ALA N . 16668 1 879 . 1 1 178 178 ALA H H 1 7.830 . . 1 . . . . 178 ALA HN . 16668 1 880 . 1 1 178 178 ALA HA H 1 3.970 . . 1 . . . . 178 ALA HA . 16668 1 881 . 1 1 178 178 ALA C C 13 178.510 . . 1 . . . . 178 ALA C . 16668 1 882 . 1 1 178 178 ALA CA C 13 53.800 . . 1 . . . . 178 ALA CA . 16668 1 883 . 1 1 178 178 ALA CB C 13 17.290 . . 1 . . . . 178 ALA CB . 16668 1 884 . 1 1 178 178 ALA N N 15 119.120 . . 1 . . . . 178 ALA N . 16668 1 885 . 1 1 179 179 LEU H H 1 7.820 . . 1 . . . . 179 LEU HN . 16668 1 886 . 1 1 179 179 LEU C C 13 177.900 . . 1 . . . . 179 LEU C . 16668 1 887 . 1 1 179 179 LEU CA C 13 55.770 . . 1 . . . . 179 LEU CA . 16668 1 888 . 1 1 179 179 LEU CB C 13 42.450 . . 1 . . . . 179 LEU CB . 16668 1 889 . 1 1 179 179 LEU N N 15 116.090 . . 1 . . . . 179 LEU N . 16668 1 890 . 1 1 180 180 GLN H H 1 7.420 . . 1 . . . . 180 GLN HN . 16668 1 891 . 1 1 180 180 GLN HA H 1 4.200 . . 1 . . . . 180 GLN HA . 16668 1 892 . 1 1 180 180 GLN C C 13 174.780 . . 1 . . . . 180 GLN C . 16668 1 893 . 1 1 180 180 GLN CA C 13 56.690 . . 1 . . . . 180 GLN CA . 16668 1 894 . 1 1 180 180 GLN CB C 13 29.420 . . 1 . . . . 180 GLN CB . 16668 1 895 . 1 1 180 180 GLN N N 15 118.160 . . 1 . . . . 180 GLN N . 16668 1 896 . 1 1 181 181 ALA H H 1 7.720 . . 1 . . . . 181 ALA HN . 16668 1 897 . 1 1 181 181 ALA HA H 1 4.160 . . 1 . . . . 181 ALA HA . 16668 1 898 . 1 1 181 181 ALA C C 13 182.410 . . 1 . . . . 181 ALA C . 16668 1 899 . 1 1 181 181 ALA CA C 13 54.140 . . 1 . . . . 181 ALA CA . 16668 1 900 . 1 1 181 181 ALA CB C 13 20.110 . . 1 . . . . 181 ALA CB . 16668 1 901 . 1 1 181 181 ALA N N 15 130.010 . . 1 . . . . 181 ALA N . 16668 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_GDP_hsqc _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_GDP_hsqc _Spectral_peak_list.Entry_ID 16668 _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 0.061 0.000 0.000 0 2 {?} {?} 11.39700031 0.03400000 0.05800000 {++} 0.00000000 0 0 0 {?} {?} 132.04499817 0.20500000 0.42300001 {++} 0.00000000 0 0 0 {?} 1 0.054 0.000 0.000 0 2 {?} {?} 10.58300018 0.04500000 0.07300000 {++} 0.00000000 0 0 0 {?} {?} 125.11799622 0.26300001 0.47499999 {++} 0.00000000 0 0 0 {?} 2 0.029 0.000 0.000 0 2 {?} {?} 10.33600044 0.04100000 0.05600000 {++} 0.00000000 0 0 0 {?} {?} 124.35099792 0.28900000 0.40300000 {++} 0.00000000 0 0 0 {?} 3 0.028 0.000 0.000 0 2 {?} {?} 10.21399975 0.04700000 0.06100000 {++} 0.00000000 0 0 0 {?} {?} 117.09500122 0.30899999 0.42199999 {++} 0.00000000 0 0 0 {?} 4 0.105 0.000 0.000 0 2 {?} {?} 10.06000042 0.03700000 0.07200000 {++} 0.00000000 0 0 0 {?} {?} 128.42700195 0.25600001 0.51999998 {++} 0.00000000 0 0 0 {?} 5 0.054 0.000 0.000 0 2 {?} {?} 9.76200008 0.03500000 0.06300000 {++} 0.00000000 0 0 0 {?} {?} 125.12300110 0.28600001 0.50800002 {++} 0.00000000 0 0 0 {?} 6 0.097 0.000 0.000 0 2 {?} {?} 9.56599998 0.03100000 0.06400000 {++} 0.00000000 0 0 0 {?} {?} 115.17400360 0.26300001 0.54299998 {++} 0.00000000 0 0 0 {?} 7 0.048 0.000 0.000 0 2 {?} {?} 9.44799995 0.02800000 0.04900000 {++} 0.00000000 0 0 0 {?} {?} 134.18699646 0.24400000 0.38900000 {++} 0.00000000 0 0 0 {?} 8 0.078 0.000 0.000 0 2 {?} {?} 9.40400028 0.04100000 0.07300000 {++} 0.00000000 0 0 0 {?} {?} 130.03999329 0.33800000 0.54699999 {++} 0.00000000 0 0 0 {?} 9 0.100 0.000 0.000 0 2 {?} {?} 9.39500046 0.03400000 0.07300000 {++} 0.00000000 0 0 0 {?} {?} 118.37200165 0.20900001 0.47200000 {++} 0.00000000 0 0 0 {?} 10 0.072 0.000 0.000 0 2 {?} {?} 9.34599972 0.03800000 0.06800000 {++} 0.00000000 0 0 0 {?} {?} 128.23800659 0.29300001 0.55500001 {++} 0.00000000 0 0 0 {?} 11 0.043 0.000 0.000 0 2 {?} {?} 9.30700016 0.04100000 0.06600000 {++} 0.00000000 0 0 0 {?} {?} 113.72499847 0.30800000 0.48800001 {++} 0.00000000 0 0 0 {?} 12 0.095 0.000 0.000 0 2 {?} {?} 9.27499962 0.03200000 0.06800000 {++} 0.00000000 0 0 0 {?} {?} 125.29799652 0.30899999 0.54000002 {++} 0.00000000 0 0 0 {?} 13 0.071 0.000 0.000 0 2 {?} {?} 9.22000027 0.03100000 0.06900000 {++} 0.00000000 0 0 0 {?} {?} 130.09399414 0.24900000 0.48600000 {++} 0.00000000 0 0 0 {?} 14 0.100 0.000 0.000 0 2 {?} {?} 9.20400047 0.04700000 0.07800000 { ?} 0.00000000 0 0 0 {?} {?} 127.40499878 0.30700001 0.61400002 {++} 0.00000000 0 0 0 {?} 15 0.057 0.000 0.000 0 2 {?} {?} 9.18299961 0.03500000 0.06600000 {++} 0.00000000 0 0 0 {?} {?} 130.52699280 0.28000000 0.74199998 { ?} 0.00000000 0 0 0 {?} 16 0.082 0.000 0.000 0 2 {?} {?} 9.16199970 0.03600000 0.06600000 {++} 0.00000000 0 0 0 {?} {?} 115.45899963 0.12400000 0.48600000 { ?} 0.00000000 0 0 0 {?} 17 0.079 0.000 0.000 0 2 {?} {?} 9.14000034 0.03400000 0.06700000 {++} 0.00000000 0 0 0 {?} {?} 126.70500183 0.33399999 0.55400002 { ?} 0.00000000 0 0 0 {?} 18 0.059 0.000 0.000 0 2 {?} {?} 9.13899994 0.04100000 0.06600000 {++} 0.00000000 0 0 0 {?} {?} 114.90000153 0.39700001 0.59700000 { ?} 0.00000000 0 0 0 {?} 19 0.058 0.000 0.000 0 2 {?} {?} 9.12600040 0.02300000 0.02700000 { ?} 0.00000000 0 0 0 {?} {?} 127.37200165 0.32800001 0.63700002 { ?} 0.00000000 0 0 0 {?} 20 0.076 0.000 0.000 0 2 {?} {?} 9.10499954 0.03500000 0.07000000 {++} 0.00000000 0 0 0 {?} {?} 129.02600098 0.29600000 0.56400001 {++} 0.00000000 0 0 0 {?} 21 0.120 0.000 0.000 0 2 {?} {?} 9.10000038 0.03800000 0.07700000 {++} 0.00000000 0 0 0 {?} {?} 119.37500000 0.30199999 0.58399999 {++} 0.00000000 0 0 0 {?} 22 0.052 0.000 0.000 0 2 {?} {?} 9.08100033 0.03600000 0.06500000 {++} 0.00000000 0 0 0 {?} {?} 128.40400696 0.33500001 0.52700001 {++} 0.00000000 0 0 0 {?} 23 0.103 0.000 0.000 0 2 {?} {?} 9.07900047 0.03400000 0.10200000 { ?} 0.00000000 0 0 0 {?} {?} 122.77300262 0.33800000 0.58099997 {++} 0.00000000 0 0 0 {?} 24 0.111 0.000 0.000 0 2 {?} {?} 9.05799961 0.03300000 0.06600000 {++} 0.00000000 0 0 0 {?} {?} 118.70200348 0.21200000 0.51099998 {++} 0.00000000 0 0 0 {?} 25 0.081 0.000 0.000 0 2 {?} {?} 9.04199982 0.03100000 0.06500000 {++} 0.00000000 0 0 0 {?} {?} 124.22399902 0.28999999 0.55500001 {++} 0.00000000 0 0 0 {?} 26 0.046 0.000 0.000 0 2 {?} {?} 8.99400043 0.03300000 0.07000000 { ?} 0.00000000 0 0 0 {?} {?} 122.59999847 0.34000000 0.51499999 {++} 0.00000000 0 0 0 {?} 27 0.072 0.000 0.000 0 2 {?} {?} 8.98900032 0.04200000 0.07400000 {++} 0.00000000 0 0 0 {?} {?} 130.91099548 0.28400001 0.53500003 {++} 0.00000000 0 0 0 {?} 28 0.042 0.000 0.000 0 2 {?} {?} 8.96399975 0.03700000 0.07000000 {++} 0.00000000 0 0 0 {?} {?} 123.62899780 0.31600001 0.46399999 {++} 0.00000000 0 0 0 {?} 29 0.066 0.000 0.000 0 2 {?} {?} 8.96000004 0.03700000 0.06700000 {++} 0.00000000 0 0 0 {?} {?} 115.17099762 0.28099999 0.53600001 {++} 0.00000000 0 0 0 {?} 30 0.032 0.000 0.000 0 2 {?} {?} 8.94999981 0.04900000 0.06600000 {++} 0.00000000 0 0 0 {?} {?} 120.36299896 0.35600001 0.49800000 {++} 0.00000000 0 0 0 {?} 31 0.071 0.000 0.000 0 2 {?} {?} 8.92500019 0.03900000 0.07600000 {++} 0.00000000 0 0 0 {?} {?} 127.36199951 0.32100001 0.55199999 {++} 0.00000000 0 0 0 {?} 32 0.057 0.000 0.000 0 2 {?} {?} 8.88099957 0.03800000 0.06500000 {++} 0.00000000 0 0 0 {?} {?} 117.05799866 0.20600000 0.41600001 {++} 0.00000000 0 0 0 {?} 33 0.062 0.000 0.000 0 2 {?} {?} 8.86400032 0.04300000 0.07300000 {++} 0.00000000 0 0 0 {?} {?} 107.39800262 0.21300000 0.43700001 {++} 0.00000000 0 0 0 {?} 34 0.053 0.000 0.000 0 2 {?} {?} 8.85900021 0.04600000 0.08000000 {++} 0.00000000 0 0 0 {?} {?} 126.01100159 0.25500000 0.48800001 {++} 0.00000000 0 0 0 {?} 35 0.064 0.000 0.000 0 2 {?} {?} 8.86200047 0.03400000 0.07700000 { ?} 0.00000000 0 0 0 {?} {?} 123.58499908 0.30899999 0.58899999 {++} 0.00000000 0 0 0 {?} 36 0.058 0.000 0.000 0 2 {?} {?} 8.81000042 0.04200000 0.07400000 {++} 0.00000000 0 0 0 {?} {?} 112.02200317 0.27700001 0.49500000 {++} 0.00000000 0 0 0 {?} 37 0.055 0.000 0.000 0 2 {?} {?} 8.79699993 0.03900000 0.07400000 {++} 0.00000000 0 0 0 {?} {?} 115.53399658 0.27100000 0.44800001 {++} 0.00000000 0 0 0 {?} 38 0.099 0.000 0.000 0 2 {?} {?} 8.79500008 0.03800000 0.07100000 {++} 0.00000000 0 0 0 {?} {?} 103.76399994 0.31000000 0.56300002 {++} 0.00000000 0 0 0 {?} 39 0.079 0.000 0.000 0 2 {?} {?} 8.78999996 0.02300000 0.05800000 {++} 0.00000000 0 0 0 {?} {?} 113.73999786 0.21699999 0.50099999 {++} 0.00000000 0 0 0 {?} 40 0.048 0.000 0.000 0 2 {?} {?} 8.77400017 0.03900000 0.06200000 {++} 0.00000000 0 0 0 {?} {?} 121.51899719 0.31700000 0.51499999 {++} 0.00000000 0 0 0 {?} 41 0.072 0.000 0.000 0 2 {?} {?} 8.75000000 0.04100000 0.07000000 {++} 0.00000000 0 0 0 {?} {?} 117.53399658 0.32100001 0.74199998 { ?} 0.00000000 0 0 0 {?} 42 0.030 0.000 0.000 0 2 {?} {?} 8.73700047 0.05100000 0.06800000 {++} 0.00000000 0 0 0 {?} {?} 121.16300201 0.42199999 0.54799998 {++} 0.00000000 0 0 0 {?} 43 0.068 0.000 0.000 0 2 {?} {?} 8.74499989 0.03800000 0.06200000 { ?} 0.00000000 0 0 0 {?} {?} 116.96900177 0.32400000 0.47999999 { ?} 0.00000000 0 0 0 {?} 44 0.046 0.000 0.000 0 2 {?} {?} 8.74300003 0.04200000 0.06000000 {++} 0.00000000 0 0 0 {?} {?} 116.31700134 0.17600000 0.28000000 {++} 0.00000000 0 0 0 {?} 45 0.080 0.000 0.000 0 2 {?} {?} 8.71000004 0.02800000 0.07600000 { ?} 0.00000000 0 0 0 {?} {?} 119.18099976 0.32300001 0.58899999 {++} 0.00000000 0 0 0 {?} 46 0.082 0.000 0.000 0 2 {?} {?} 8.68999958 0.03300000 0.06000000 { ?} 0.00000000 0 0 0 {?} {?} 116.93599701 0.25000000 0.56699997 {++} 0.00000000 0 0 0 {?} 47 0.074 0.000 0.000 0 2 {?} {?} 8.59000015 0.03200000 0.07400000 { ?} 0.00000000 0 0 0 {?} {?} 117.13300323 0.31999999 0.55299997 {++} 0.00000000 0 0 0 {?} 48 0.078 0.000 0.000 0 2 {?} {?} 8.57499981 0.03300000 0.06100000 {++} 0.00000000 0 0 0 {?} {?} 122.13500214 0.26899999 0.51300001 {++} 0.00000000 0 0 0 {?} 49 0.104 0.000 0.000 0 2 {?} {?} 8.56799984 0.04000000 0.07700000 {++} 0.00000000 0 0 0 {?} {?} 128.24600220 0.28099999 0.55100000 {++} 0.00000000 0 0 0 {?} 50 0.081 0.000 0.000 0 2 {?} {?} 8.56599998 0.03700000 0.07500000 {++} 0.00000000 0 0 0 {?} {?} 120.41100311 0.33199999 0.53500003 {++} 0.00000000 0 0 0 {?} 51 0.075 0.000 0.000 0 2 {?} {?} 8.54899979 0.03600000 0.07400000 {++} 0.00000000 0 0 0 {?} {?} 112.33699799 0.24699999 0.51499999 {++} 0.00000000 0 0 0 {?} 52 0.015 0.000 0.000 0 2 {?} {?} 8.53800011 0.02700000 0.02200000 {++} 0.00000000 0 0 0 {?} {?} 126.07599640 0.27900001 0.27900001 {++} 0.00000000 0 0 0 {?} 53 0.122 0.000 0.000 0 2 {?} {?} 8.53699970 0.03600000 0.08600000 { ?} 0.00000000 0 0 0 {?} {?} 119.64199829 0.31900001 0.53700000 {++} 0.00000000 0 0 0 {?} 54 0.080 0.000 0.000 0 2 {?} {?} 8.52000046 0.04200000 0.07500000 {++} 0.00000000 0 0 0 {?} {?} 123.59200287 0.23999999 0.51800001 {++} 0.00000000 0 0 0 {?} 55 0.030 0.000 0.000 0 2 {?} {?} 8.52200031 0.04400000 0.06000000 {++} 0.00000000 0 0 0 {?} {?} 118.50800323 0.31299999 0.41499999 {++} 0.00000000 0 0 0 {?} 56 0.081 0.000 0.000 0 2 {?} {?} 8.46199989 0.03000000 0.07700000 { ?} 0.00000000 0 0 0 {?} {?} 119.59999847 0.21400000 0.44200000 {++} 0.00000000 0 0 0 {?} 57 0.042 0.000 0.000 0 2 {?} {?} 8.44999981 0.04300000 0.07400000 {++} 0.00000000 0 0 0 {?} {?} 112.16100311 0.25099999 0.46300000 {++} 0.00000000 0 0 0 {?} 58 0.051 0.000 0.000 0 2 {?} {?} 8.43299961 0.03500000 0.06200000 {++} 0.00000000 0 0 0 {?} {?} 130.41799927 0.23300000 0.44499999 {++} 0.00000000 0 0 0 {?} 59 0.062 0.000 0.000 0 2 {?} {?} 8.42199993 0.03800000 0.08300000 {++} 0.00000000 0 0 0 {?} {?} 123.69599915 0.25500000 0.48500001 {++} 0.00000000 0 0 0 {?} 60 0.111 0.000 0.000 0 2 {?} {?} 8.38500023 0.02100000 0.05100000 {++} 0.00000000 0 0 0 {?} {?} 120.89399719 0.37099999 0.63400000 {++} 0.00000000 0 0 0 {?} 61 0.096 0.000 0.000 0 2 {?} {?} 8.38500023 0.01700000 0.05400000 { ?} 0.00000000 0 0 0 {?} {?} 120.05400085 0.35600001 0.60299999 {++} 0.00000000 0 0 0 {?} 62 0.251 0.000 0.000 0 2 {?} {?} 8.36100006 0.02400000 0.05300000 {++} 0.00000000 0 0 0 {?} {?} 125.32599640 0.20999999 0.49399999 {++} 0.00000000 0 0 0 {?} 63 0.068 0.000 0.000 0 2 {?} {?} 8.34000015 0.01900000 0.04400000 { ?} 0.00000000 0 0 0 {?} {?} 122.24099731 0.31299999 0.59899998 {++} 0.00000000 0 0 0 {?} 64 0.081 0.000 0.000 0 2 {?} {?} 8.32800007 0.02300000 0.04800000 {++} 0.00000000 0 0 0 {?} {?} 117.83999634 0.65899998 1.03799999 {++} 0.00000000 0 0 0 {?} 65 0.113 0.000 0.000 0 2 {?} {?} 8.30900002 0.03300000 0.07600000 { ?} 0.00000000 0 0 0 {?} {?} 121.20800018 0.23899999 0.48300001 {++} 0.00000000 0 0 0 {?} 66 0.033 0.000 0.000 0 2 {?} {?} 8.30599976 0.04000000 0.06400000 {++} 0.00000000 0 0 0 {?} {?} 110.16899872 0.28799999 0.42500001 {++} 0.00000000 0 0 0 {?} 67 0.123 0.000 0.000 0 2 {?} {?} 8.26500034 0.02400000 0.06300000 { ?} 0.00000000 0 0 0 {?} {?} 120.04000092 0.45899999 0.75500000 {++} 0.00000000 0 0 0 {?} 68 0.056 0.000 0.000 0 2 {?} {?} 8.29500008 0.04000000 0.07500000 {++} 0.00000000 0 0 0 {?} {?} 115.08599854 0.22300000 0.42300001 {++} 0.00000000 0 0 0 {?} 69 0.012 0.000 0.000 0 2 {?} {?} 7.61600018 0.02800000 0.01400000 { ?} 0.00000000 0 0 0 {?} {?} 120.52300262 0.66600001 0.33600000 { ?} 0.00000000 0 0 0 {?} 70 0.040 0.000 0.000 0 2 {?} {?} 8.27799988 0.04100000 0.06400000 {++} 0.00000000 0 0 0 {?} {?} 124.66000366 0.30800000 0.40400001 {++} 0.00000000 0 0 0 {?} 71 0.144 0.000 0.000 0 2 {?} {?} 8.27299976 0.03300000 0.05800000 { ?} 0.00000000 0 0 0 {?} {?} 122.27300262 0.31400001 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0 0 {?} 154 0.067 0.000 0.000 0 2 {?} {?} 7.24700022 0.03800000 0.06100000 {++} 0.00000000 0 0 0 {?} {?} 109.38700104 0.33899999 0.57200003 {++} 0.00000000 0 0 0 {?} 155 0.055 0.000 0.000 0 2 {?} {?} 7.23699999 0.05800000 0.09500000 {++} 0.00000000 0 0 0 {?} {?} 122.15000153 0.31000000 0.54799998 {++} 0.00000000 0 0 0 {?} 156 0.069 0.000 0.000 0 2 {?} {?} 7.14400005 0.03600000 0.07100000 {++} 0.00000000 0 0 0 {?} {?} 124.51599884 0.26300001 0.53399998 {++} 0.00000000 0 0 0 {?} 157 0.116 0.000 0.000 0 2 {?} {?} 7.10699987 0.03700000 0.07400000 {++} 0.00000000 0 0 0 {?} {?} 121.27899933 0.32400000 0.57300001 {++} 0.00000000 0 0 0 {?} 158 0.116 0.000 0.000 0 2 {?} {?} 7.07000017 0.03600000 0.08100000 {++} 0.00000000 0 0 0 {?} {?} 122.18499756 0.31000000 0.54600000 {++} 0.00000000 0 0 0 {?} 159 0.067 0.000 0.000 0 2 {?} {?} 7.02400017 0.04100000 0.07600000 {++} 0.00000000 0 0 0 {?} {?} 116.57499695 0.24200000 0.47799999 {++} 0.00000000 0 0 0 {?} 160 0.291 0.000 0.000 0 2 {?} {?} 7.02500010 0.02200000 0.05200000 {++} 0.00000000 0 0 0 {?} {?} 112.11900330 0.22600000 0.49700001 {++} 0.00000000 0 0 0 {?} 161 0.011 0.000 0.000 0 2 {?} {?} 9.15799999 0.01700000 0.00500000 { ?} 0.00000000 0 0 0 {?} {?} 127.37200165 0.35299999 0.10900000 { ?} 0.00000000 0 0 0 {?} 162 0.186 0.000 0.000 0 2 {?} {?} 7.00799990 0.02300000 0.05100000 {++} 0.00000000 0 0 0 {?} {?} 113.25000000 0.29100001 0.56800002 {++} 0.00000000 0 0 0 {?} 163 0.116 0.000 0.000 0 2 {?} {?} 6.98099995 0.03000000 0.05300000 {++} 0.00000000 0 0 0 {?} {?} 114.25299835 0.22300000 0.49100000 {++} 0.00000000 0 0 0 {?} 164 0.085 0.000 0.000 0 2 {?} {?} 6.92500019 0.03600000 0.07600000 {++} 0.00000000 0 0 0 {?} {?} 116.56500244 0.26499999 0.51599997 {++} 0.00000000 0 0 0 {?} 165 0.139 0.000 0.000 0 2 {?} {?} 6.92399979 0.03000000 0.06100000 { ?} 0.00000000 0 0 0 {?} {?} 112.82499695 0.27500001 0.54699999 {++} 0.00000000 0 0 0 {?} 166 0.161 0.000 0.000 0 2 {?} {?} 6.88000011 0.03300000 0.05500000 { ?} 0.00000000 0 0 0 {?} {?} 112.86399841 0.21600001 0.51300001 {++} 0.00000000 0 0 0 {?} 167 0.256 0.000 0.000 0 2 {?} {?} 6.83599997 0.02600000 0.05600000 {++} 0.00000000 0 0 0 {?} {?} 112.42800140 0.19400001 0.49200001 {++} 0.00000000 0 0 0 {?} 168 0.097 0.000 0.000 0 2 {?} {?} 6.75500011 0.03300000 0.05900000 {++} 0.00000000 0 0 0 {?} {?} 108.75499725 0.21799999 0.58700001 {++} 0.00000000 0 0 0 {?} 169 0.015 0.000 0.000 0 2 {?} {?} 6.72399998 0.02600000 0.02300000 {++} 0.00000000 0 0 0 {?} {?} 116.50800323 0.29600000 0.22100000 {++} 0.00000000 0 0 0 {?} 170 0.237 0.000 0.000 0 2 {?} {?} 6.72599983 0.02700000 0.05600000 {++} 0.00000000 0 0 0 {?} {?} 112.11900330 0.21100000 0.51200002 {++} 0.00000000 0 0 0 {?} 171 0.039 0.000 0.000 0 2 {?} {?} 6.71500015 0.03900000 0.05500000 {++} 0.00000000 0 0 0 {?} {?} 117.11299896 0.29699999 0.46399999 {++} 0.00000000 0 0 0 {?} 172 0.055 0.000 0.000 0 2 {?} {?} 6.65199995 0.03800000 0.06300000 {++} 0.00000000 0 0 0 {?} {?} 118.65100098 0.26199999 0.45699999 {++} 0.00000000 0 0 0 {?} 173 0.084 0.000 0.000 0 2 {?} {?} 6.53599977 0.03400000 0.06800000 {++} 0.00000000 0 0 0 {?} {?} 115.54799652 0.22900000 0.48100001 {++} 0.00000000 0 0 0 {?} 174 0.134 0.000 0.000 0 2 {?} {?} 6.53599977 0.03300000 0.07300000 {++} 0.00000000 0 0 0 {?} {?} 113.40399933 0.28099999 0.55000001 {++} 0.00000000 0 0 0 {?} 175 0.034 0.000 0.000 0 2 {?} {?} 6.38100004 0.04400000 0.08500000 {++} 0.00000000 0 0 0 {?} {?} 106.48200226 0.22600000 0.34400001 {++} 0.00000000 0 0 0 {?} 176 0.023 0.000 0.000 0 2 {?} {?} 6.37500000 0.06300000 0.07400000 {++} 0.00000000 0 0 0 {?} {?} 120.24500275 0.33100000 0.37900001 {++} 0.00000000 0 0 0 {?} 177 0.016 0.000 0.000 0 2 {?} {?} 9.44600010 0.03700000 0.06400000 {++} 0.00000000 0 0 0 {?} {?} 133.77699280 0.28900000 0.46000001 {++} 0.00000000 0 0 0 {?} 178 0.045 0.000 0.000 0 2 {?} {?} 8.82999992 0.03600000 0.07500000 {++} 0.00000000 0 0 0 {?} {?} 124.11900330 0.41299999 0.61000001 {++} 0.00000000 0 0 0 {?} 179 0.021 0.000 0.000 0 2 {?} {?} 8.80200005 0.03500000 0.07400000 {++} 0.00000000 0 0 0 {?} {?} 123.70500183 0.44299999 0.65399998 {++} 0.00000000 0 0 0 {?} 180 0.060 0.000 0.000 0 2 {?} {?} 8.28199959 0.02700000 0.06200000 { ?} 0.00000000 0 0 0 {?} {?} 118.87699890 0.31400001 0.52300000 {++} 0.00000000 0 0 0 {?} 181 0.037 0.000 0.000 0 2 {?} {?} 8.42000008 0.02100000 0.05300000 {++} 0.00000000 0 0 0 {?} {?} 121.10099792 0.38200000 0.65399998 {++} 0.00000000 0 0 0 {?} 182 0.063 0.000 0.000 0 2 {?} {?} 6.75299978 0.02900000 0.06000000 {++} 0.00000000 0 0 0 {?} {?} 109.38700104 0.32900000 0.54900002 {++} 0.00000000 0 0 0 {?} 183 0.008 0.000 0.000 0 2 {?} {?} 12.76599979 0.02300000 0.02300000 { ?} 0.00000000 0 0 0 {?} {?} 110.19100189 0.21900000 0.21600001 {++} 0.00000000 0 0 0 {?} 184 0.066 0.066 0.000 0 2 {?} {?} 7.80499983 0.02800000 0.08100000 {++} 0.00000000 0 0 0 {?} {?} 112.38099670 0.20600000 0.38100001 {++} 0.00000000 0 0 0 {?} 185 0.021 0.000 0.000 0 2 {?} {?} 7.83799982 0.02500000 0.04100000 { ?} 0.00000000 0 0 0 {?} {?} 116.03199768 0.50900000 0.80100000 {++} 0.00000000 0 0 0 {?} 186 0.153 0.000 0.000 0 2 {?} {?} 7.80600023 0.02200000 0.03600000 { ?} 0.00000000 0 0 0 {?} {?} 116.07099915 0.44700000 0.70200002 {++} 0.00000000 0 0 0 {?} 187 0.013 0.000 0.000 0 2 {?} {?} 7.70499992 0.01900000 0.02100000 {++} 0.00000000 0 0 0 {?} {?} 111.53600311 0.17399999 0.20000000 {++} 0.00000000 0 0 0 {?} 188 0.014 0.000 0.000 0 2 {?} {?} 7.61999989 0.00900000 0.01100000 {++} 0.00000000 0 0 0 {?} {?} 111.58000183 0.12200000 0.14900000 {++} 0.00000000 0 0 0 {?} 189 0.008 0.000 0.000 0 2 {?} {?} 7.66099977 0.02900000 0.07400000 {++} 0.00000000 0 0 0 {?} {?} 113.68099976 0.22100000 0.49200001 {++} 0.00000000 0 0 0 {?} 190 0.013 0.000 0.000 0 2 {?} {?} 7.56699991 0.01600000 0.02000000 {++} 0.00000000 0 0 0 {?} {?} 111.87500000 0.09100000 0.10500000 {++} 0.00000000 0 0 0 {?} 191 0.013 0.000 0.000 0 2 {?} {?} 6.84299994 0.02100000 0.02400000 {++} 0.00000000 0 0 0 {?} {?} 111.86199951 0.08400000 0.09800000 { ?} 0.00000000 0 0 0 {?} 192 0.019 0.000 0.000 0 2 {?} {?} 6.73400021 0.01700000 0.04200000 { ?} 0.00000000 0 0 0 {?} {?} 111.51999664 0.30000001 0.43300000 {++} 0.00000000 0 0 0 {?} 193 0.011 0.000 0.000 0 2 {?} {?} 7.03399992 0.02300000 0.02300000 { ?} 0.00000000 0 0 0 {?} {?} 111.50000000 0.33500001 0.33300000 {++} 0.00000000 0 0 0 {?} 194 0.010 0.000 0.000 0 2 {?} {?} 7.14467001 0.05724000 0.09745000 {++} 0.00000000 0 0 0 {?} {?} 114.76840973 0.42054000 0.53838998 {++} 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 . . . 16668 1 2 N 15 N . 2293 . . . 16668 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 . . 16668 1 stop_ save_