data_17678 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; HRas166*GppNHp backbone chemical shift assignments ; _BMRB_accession_number 17678 _BMRB_flat_file_name bmr17678.str _Entry_type original _Submission_date 2011-05-31 _Accession_date 2011-05-31 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Backbone chemical shift deposition at pH 7.2 for HRas GTPase domain bound to GTP mimic GppNHp in 10 mM TRIS, 10 mM NaCl, 5 mM MgCl2, 1 mM DTT, 0.01% NaN3, 0.1 mM EDTA, 1/10 Roche Inhibitors, 1 mM GNP in a Shigemi thin walled tube 330uL total volume at 20 degrees celcius' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kovrigin Evgenii L. . 2 O'Connor Casey . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 127 "13C chemical shifts" 389 "15N chemical shifts" 128 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-04-06 update BMRB 'update entry citation' 2011-09-19 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Assignments of backbone (1)H, (13)C and (15)N resonances in H-Ras (1-166) complexed with GppNHp at physiological pH.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21814767 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kovrigin Casey . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 6 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 91 _Page_last 93 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name HRas166 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label G-domain $HRas166 GNP $GNP MG $MG stop_ _System_molecular_weight 18853.2 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_HRas166 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HRas166 _Molecular_mass 18853.2 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 166 _Mol_residue_sequence ; MTEYKLVVVGAGGVGKSALT IQLIQNHFVDEYDPTIEDSY RKQVVIDGETCLLDILDTAG QEEYSAMRDQYMRTGEGFLC VFAINNTKSFEDIHQYREQI KRVKDSDDVPMVLVGNKCDL AARTVESRQAQDLARSYGIP YIETSAKTRQGVEDAFYTLV REIRQH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 THR 3 GLU 4 TYR 5 LYS 6 LEU 7 VAL 8 VAL 9 VAL 10 GLY 11 ALA 12 GLY 13 GLY 14 VAL 15 GLY 16 LYS 17 SER 18 ALA 19 LEU 20 THR 21 ILE 22 GLN 23 LEU 24 ILE 25 GLN 26 ASN 27 HIS 28 PHE 29 VAL 30 ASP 31 GLU 32 TYR 33 ASP 34 PRO 35 THR 36 ILE 37 GLU 38 ASP 39 SER 40 TYR 41 ARG 42 LYS 43 GLN 44 VAL 45 VAL 46 ILE 47 ASP 48 GLY 49 GLU 50 THR 51 CYS 52 LEU 53 LEU 54 ASP 55 ILE 56 LEU 57 ASP 58 THR 59 ALA 60 GLY 61 GLN 62 GLU 63 GLU 64 TYR 65 SER 66 ALA 67 MET 68 ARG 69 ASP 70 GLN 71 TYR 72 MET 73 ARG 74 THR 75 GLY 76 GLU 77 GLY 78 PHE 79 LEU 80 CYS 81 VAL 82 PHE 83 ALA 84 ILE 85 ASN 86 ASN 87 THR 88 LYS 89 SER 90 PHE 91 GLU 92 ASP 93 ILE 94 HIS 95 GLN 96 TYR 97 ARG 98 GLU 99 GLN 100 ILE 101 LYS 102 ARG 103 VAL 104 LYS 105 ASP 106 SER 107 ASP 108 ASP 109 VAL 110 PRO 111 MET 112 VAL 113 LEU 114 VAL 115 GLY 116 ASN 117 LYS 118 CYS 119 ASP 120 LEU 121 ALA 122 ALA 123 ARG 124 THR 125 VAL 126 GLU 127 SER 128 ARG 129 GLN 130 ALA 131 GLN 132 ASP 133 LEU 134 ALA 135 ARG 136 SER 137 TYR 138 GLY 139 ILE 140 PRO 141 TYR 142 ILE 143 GLU 144 THR 145 SER 146 ALA 147 LYS 148 THR 149 ARG 150 GLN 151 GLY 152 VAL 153 GLU 154 ASP 155 ALA 156 PHE 157 TYR 158 THR 159 LEU 160 VAL 161 ARG 162 GLU 163 ILE 164 ARG 165 GLN 166 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-18 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 10051 RasY32W 100.00 178 99.40 100.00 1.46e-117 BMRB 17183 Ras 100.00 166 100.00 100.00 7.67e-118 BMRB 17610 "GppNHp-bound H-RasT35S mutant protein" 100.00 172 99.40 100.00 6.32e-117 BMRB 18461 entity_1 100.00 172 100.00 100.00 1.88e-117 BMRB 18479 HRas166 100.00 166 100.00 100.00 7.67e-118 BMRB 18629 entity_1 100.00 166 99.40 100.00 2.05e-117 BMRB 25730 H-Ras_G12V 100.00 169 99.40 99.40 2.05e-116 PDB 121P "Struktur Und Guanosintriphosphat-Hydrolysemechanismus Des C- Terminal Verkuerzten Menschlichen Krebsproteins P21-H-Ras" 100.00 166 100.00 100.00 7.67e-118 PDB 1AA9 "Human C-Ha-Ras(1-171)(Dot)gdp, Nmr, Minimized Average Structure" 100.00 171 100.00 100.00 6.15e-118 PDB 1AGP "Three-Dimensional Structures And Properties Of A Transforming And A Nontransforming Gly-12 Mutant Of P21-H-Ras" 100.00 166 99.40 99.40 1.07e-116 PDB 1BKD "Complex Of Human H-Ras With Human Sos-1" 100.00 166 100.00 100.00 7.67e-118 PDB 1CLU "H-Ras Complexed With Diaminobenzophenone-Beta,Gamma-Imido- Gtp" 100.00 166 99.40 99.40 1.11e-116 PDB 1CRP "The Solution Structure And Dynamics Of Ras P21. Gdp Determined By Heteronuclear Three And Four Dimensional Nmr Spectroscopy" 100.00 166 100.00 100.00 7.67e-118 PDB 1CRQ "The Solution Structure And Dynamics Of Ras P21. Gdp Determined By Heteronuclear Three And Four Dimensional Nmr Spectroscopy" 100.00 166 100.00 100.00 7.67e-118 PDB 1CRR "The Solution Structure And Dynamics Of Ras P21. Gdp Determined By Heteronuclear Three And Four Dimensional Nmr Spectroscopy" 100.00 166 100.00 100.00 7.67e-118 PDB 1CTQ "Structure Of P21ras In Complex With Gppnhp At 100 K" 100.00 166 100.00 100.00 7.67e-118 PDB 1GNP "X-Ray Crystal Structure Analysis Of The Catalytic Domain Of The Oncogene Product P21h-Ras Complexed With Caged Gtp And Mant Dgp" 100.00 166 100.00 100.00 7.67e-118 PDB 1GNQ "X-Ray Crystal Structure Analysis Of The Catalytic Domain Of The Oncogene Product P21h-Ras Complexed With Caged Gtp And Mant Dgp" 100.00 166 100.00 100.00 7.67e-118 PDB 1GNR "X-Ray Crystal Structure Analysis Of The Catalytic Domain Of The Oncogene Product P21h-Ras Complexed With Caged Gtp And Mant Dgp" 100.00 166 100.00 100.00 7.67e-118 PDB 1HE8 "Ras G12v-Pi 3-Kinase Gamma Complex" 100.00 166 99.40 99.40 1.89e-116 PDB 1IAQ "C-H-Ras P21 Protein Mutant With Thr 35 Replaced By Ser (T35s) Complexed With Guanosine-5'-[b,G-Imido] Triphosphate" 100.00 166 99.40 100.00 2.05e-117 PDB 1IOZ "Crystal Structure Of The C-Ha-Ras Protein Prepared By The Cell-Free Synthesis" 100.00 171 100.00 100.00 6.15e-118 PDB 1JAH "H-Ras P21 Protein Mutant G12p, Complexed With Guanosine-5'- [beta,Gamma-Methylene] Triphosphate And Magnesium" 100.00 166 98.80 98.80 8.63e-116 PDB 1JAI "H-Ras P21 Protein Mutant G12p, Complexed With Guanosine-5'- [beta,Gamma-Methylene] Triphosphate And Manganese" 100.00 166 99.40 99.40 1.11e-116 PDB 1K8R "Crystal Structure Of Ras-Bry2rbd Complex" 100.00 166 100.00 100.00 7.67e-118 PDB 1LF0 "Crystal Structure Of Rasa59g In The Gtp-Bound Form" 100.00 166 99.40 99.40 5.49e-117 PDB 1LF5 "Crystal Structure Of Rasa59g In The Gdp-Bound Form" 100.00 166 99.40 99.40 5.49e-117 PDB 1LFD "Crystal Structure Of The Active Ras Protein Complexed With The Ras-interacting Domain Of Ralgds" 100.00 167 99.40 100.00 2.40e-117 PDB 1NVU "Structural Evidence For Feedback Activation By Rasgtp Of The Ras-Specific Nucleotide Exchange Factor Sos" 100.00 166 99.40 99.40 5.49e-117 PDB 1NVV "Structural Evidence For Feedback Activation By Rasgtp Of The Ras-specific Nucleotide Exchange Factor Sos" 100.00 166 100.00 100.00 7.67e-118 PDB 1NVW "Structural Evidence For Feedback Activation By Rasgtp Of The Ras-specific Nucleotide Exchange Factor Sos" 100.00 166 100.00 100.00 7.67e-118 PDB 1NVX "Structural Evidence For Feedback Activation By Rasgtp Of The Ras-Specific Nucleotide Exchange Factor Sos" 100.00 166 99.40 99.40 5.49e-117 PDB 1P2S "H-Ras 166 In 50% 2,2,2 Triflouroethanol" 100.00 166 100.00 100.00 7.67e-118 PDB 1P2T "H-Ras 166 In Aqueous Mother Liqour, Rt" 100.00 166 100.00 100.00 7.67e-118 PDB 1P2U "H-Ras In 50% Isopropanol" 100.00 166 100.00 100.00 7.67e-118 PDB 1P2V "H-Ras 166 In 60 % 1,6 Hexanediol" 100.00 166 100.00 100.00 7.67e-118 PDB 1PLJ "Crystallographic Studies On P21h-Ras Using Synchrotron Laue Method: Improvement Of Crystal Quality And Monitoring Of The Gtpase" 100.00 166 99.40 99.40 1.11e-116 PDB 1PLK "Crystallographic Studies On P21h-Ras Using Synchrotron Laue Method: Improvement Of Crystal Quality And Monitoring Of The Gtpase" 100.00 166 98.80 98.80 8.63e-116 PDB 1PLL "Crystallographic Studies On P21h-Ras Using Synchrotron Laue Method: Improvement Of Crystal Quality And Monitoring Of The Gtpase" 100.00 166 99.40 99.40 1.11e-116 PDB 1Q21 "Crystal Structures At 2.2 Angstroms Resolution Of The Catalytic Domains Of Normal Ras Protein And An Oncogenic Mutant Complexed" 100.00 171 100.00 100.00 6.15e-118 PDB 1QRA "Structure Of P21ras In Complex With Gtp At 100 K" 100.00 166 100.00 100.00 7.67e-118 PDB 1RVD "H-Ras Complexed With Diaminobenzophenone-Beta,Gamma-Imido- Gtp" 100.00 166 99.40 99.40 1.89e-116 PDB 1WQ1 "Ras-Rasgap Complex" 100.00 166 100.00 100.00 7.67e-118 PDB 1XCM "Crystal Structure Of The Gppnhp-Bound H-Ras G60a Mutant" 100.00 167 98.80 98.80 1.23e-115 PDB 1XD2 "Crystal Structure Of A Ternary Ras:sos:ras*gdp Complex" 100.00 166 100.00 100.00 7.67e-118 PDB 1XJ0 "Crystal Structure Of The Gdp-Bound Form Of The Rasg60a Mutant" 100.00 166 98.80 98.80 1.35e-115 PDB 1ZVQ "Structure Of The Q61g Mutant Of Ras In The Gdp-Bound Form" 100.00 166 99.40 99.40 1.23e-116 PDB 1ZW6 "Crystal Structure Of The Gtp-Bound Form Of Rasq61g" 100.00 166 98.80 98.80 2.78e-115 PDB 221P "Three-Dimensional Structures Of H-Ras P21 Mutants: Molecular Basis For Their Inability To Function As Signal Switch Molecules" 100.00 166 99.40 100.00 2.70e-117 PDB 2C5L "Structure Of Plc Epsilon Ras Association Domain With Hras" 100.00 173 99.40 99.40 3.64e-116 PDB 2CE2 "Crystal Structure Analysis Of A Fluorescent Form Of H-ras P21 In Complex With Gdp" 100.00 166 98.80 98.80 5.07e-115 PDB 2CL0 "Crystal Structure Analysis Of A Fluorescent Form Of H-Ras P21 In Complex With Gppnhp" 100.00 166 98.80 98.80 5.07e-115 PDB 2CL6 "Crystal Structure Analysis Of A Fluorescent Form Of H-ras P21 In Complex With S-caged Gtp" 100.00 166 98.80 98.80 5.07e-115 PDB 2CL7 "Crystal Structure Analysis Of A Fluorescent Form Of H-ras P21 In Complex With Gtp" 100.00 166 98.80 98.80 5.07e-115 PDB 2CLC "Crystal Structure Analysis Of A Fluorescent Form Of H-ras P21 In Complex With Gtp (2)" 100.00 166 98.80 98.80 5.07e-115 PDB 2CLD "Crystal Structure Analysis Of A Fluorescent Form Of H-ras P21 In Complex With Gdp (2)" 100.00 166 99.40 99.40 1.22e-116 PDB 2EVW "Crystal Structure Analysis Of A Fluorescent Form Of H-Ras P21 In Complex With R-Caged Gtp" 100.00 166 98.80 98.80 5.07e-115 PDB 2LCF "Solution Structure Of Gppnhp-Bound H-Rast35s Mutant Protein" 100.00 172 99.40 100.00 6.32e-117 PDB 2LWI "Solution Structure Of H-rast35s Mutant Protein In Complex With Kobe2601" 100.00 172 99.40 100.00 6.32e-117 PDB 2N42 "Ec-nmr Structure Of Human H-rast35s Mutant Protein Determined By Combining Evolutionary Couplings (ec) And Sparse Nmr Data" 100.00 172 99.40 100.00 6.32e-117 PDB 2N46 "Ec-nmr Structure Of Human H-rast35s Mutant Protein Determined By Combining Evolutionary Couplings (ec) And Sparse Nmr Data" 100.00 172 99.40 100.00 6.32e-117 PDB 2Q21 "Crystal Structures At 2.2 Angstroms Resolution Of The Catalytic Domains Of Normal Ras Protein And An Oncogenic Mutant Complexed" 100.00 171 99.40 99.40 1.46e-116 PDB 2QUZ "Crystal Structure Of The Activating H-Rask117r Mutant In Costello Syndrome, Bound To Mg-Gdp" 100.00 166 99.40 100.00 2.73e-117 PDB 2RGA "Crystal Structure Of H-Rasq61i-Gppnhp" 100.00 166 99.40 99.40 1.18e-116 PDB 2RGB "Crystal Structure Of H-Rasq61k-Gppnhp" 100.00 166 99.40 100.00 3.08e-117 PDB 2RGC "Crystal Structure Of H-Rasq61v-Gppnhp" 100.00 166 99.40 99.40 9.18e-117 PDB 2RGD "Crystal Structure Of H-Rasq61l-Gppnhp" 100.00 166 99.40 99.40 9.18e-117 PDB 2RGE "Crystal Structure Of H-Ras-Gppnhp" 100.00 166 100.00 100.00 7.67e-118 PDB 2RGG "Crystal Structure Of H-Rasq61i-Gppnhp, Trigonal Crystal Form" 100.00 166 99.40 99.40 1.18e-116 PDB 2UZI "Crystal Structure Of Hras(G12v) - Anti-Ras Fv Complex" 100.00 166 99.40 99.40 1.89e-116 PDB 2VH5 "Crystal Structure Of Hras(G12v) - Anti-Ras Fv (Disulfide Free Mutant) Complex" 100.00 166 99.40 99.40 1.89e-116 PDB 2X1V "Crystal Structure Of The Activating H-Ras I163f Mutant In Costello Syndrome, Bound To Mg-Gdp" 100.00 166 99.40 99.40 3.83e-117 PDB 3DDC "Crystal Structure Of Nore1a In Complex With Ras" 100.00 166 98.80 100.00 1.17e-116 PDB 3I3S "Crystal Structure Of H-Ras With Thr50 Replaced By Isoleucine" 100.00 166 99.40 99.40 6.12e-117 PDB 3K8Y "Allosteric Modulation Of H-Ras Gtpase" 100.00 166 100.00 100.00 7.67e-118 PDB 3K9L "Allosteric Modulation Of H-Ras Gtpase" 100.00 166 99.40 100.00 2.31e-117 PDB 3K9N "Allosteric Modulation Of H-Ras Gtpase" 100.00 166 99.40 100.00 2.31e-117 PDB 3KKM "Crystal Structure Of H-ras T35s In Complex With Gppnhp" 100.00 172 99.40 100.00 6.32e-117 PDB 3KKN "Crystal Structure Of H-ras T35s In Complex With Gppnhp" 100.00 172 99.40 100.00 6.32e-117 PDB 3KUD "Complex Of Ras-Gdp With Rafrbd(A85k)" 100.00 166 100.00 100.00 7.67e-118 PDB 3L8Y "Complex Of Ras With Cyclen" 100.00 166 100.00 100.00 7.67e-118 PDB 3L8Z "H-Ras Wildtype New Crystal Form" 100.00 166 100.00 100.00 7.67e-118 PDB 3LBH "Ras Soaked In Calcium Acetate" 100.00 166 100.00 100.00 7.67e-118 PDB 3LBI "Ras Soaked In Magnesium Acetate And Back Soaked In Calcium A" 100.00 166 100.00 100.00 7.67e-118 PDB 3LBN "Ras Soaked In Magnesium Acetate" 100.00 166 100.00 100.00 7.67e-118 PDB 3LO5 "Crystal Structure Of The Dominant Negative S17n Mutant Of Ras" 100.00 166 99.40 100.00 2.98e-117 PDB 3OIU 'H-Rasq61l With Allosteric Switch In The "on" State' 100.00 166 99.40 99.40 9.18e-117 PDB 3OIV 'H-Rasg12v With Allosteric Switch In The "off" State' 100.00 166 99.40 99.40 1.89e-116 PDB 3OIW 'H-Rasg12v With Allosteric Switch In The "on" State' 100.00 166 99.40 99.40 1.89e-116 PDB 3RRY "H-Ras Crosslinked Control, Soaked In Aqueous Solution: One Of 10 In Mscs Set" 100.00 166 100.00 100.00 7.67e-118 PDB 3RRZ "H-Ras In 70% Glycerol: One Of 10 In Mscs Set" 100.00 166 100.00 100.00 7.67e-118 PDB 3RS0 "H-Ras Soaked In Neat Cyclopentanol: One Of 10 In Mscs Set" 100.00 166 100.00 100.00 7.67e-118 PDB 3RS2 "H-Ras Soaked In 50% 2,2,2-Trifluoroethanol: One Of 10 In Mscs Set" 100.00 166 100.00 100.00 7.67e-118 PDB 3RS3 "H-Ras Soaked In Neat Hexane: 1 Of 10 In Mscs Set" 100.00 166 100.00 100.00 7.67e-118 PDB 3RS4 "H-Ras Soaked In 60% 1,6-Hexanediol: 1 Of 10 In Mscs Set" 100.00 166 100.00 100.00 7.67e-118 PDB 3RS5 "H-Ras Soaked In 55% Dimethylformamide: 1 Of 10 In Mscs Set" 100.00 166 100.00 100.00 7.67e-118 PDB 3RS7 "H-Ras Soaked In 50% Isopropanol: 1 Of 10 In Mscs Set" 100.00 166 100.00 100.00 7.67e-118 PDB 3RSL "H-Ras Soaked In 90% R,S,R-Bisfuranol: One Of 10 In Mscs Set" 100.00 166 100.00 100.00 7.67e-118 PDB 3RSO "H-Ras Soaked In 20% S,R,S-Bisfuranol: 1 Of 10 In Mscs Set" 100.00 166 100.00 100.00 7.67e-118 PDB 3TGP "Room Temperature H-Ras" 100.00 166 100.00 100.00 7.67e-118 PDB 3V4F "H-Ras Peg 400CACL2, ORDERED OFF" 100.00 166 99.40 100.00 2.76e-117 PDB 421P "Three-Dimensional Structures Of H-Ras P21 Mutants: Molecular Basis For Their Inability To Function As Signal Switch Molecules" 100.00 166 99.40 99.40 1.36e-116 PDB 4DLR "H-Ras Peg 400CA(OAC)2, ORDERED OFF" 100.00 166 99.40 100.00 2.76e-117 PDB 4DLS "H-Ras Set 1 Cacl2 'mixed'" 100.00 166 100.00 100.00 7.67e-118 PDB 4DLT "H-Ras Set 2 Ca(Oac)2, On" 100.00 166 100.00 100.00 7.67e-118 PDB 4DLU "H-Ras Set 1 Ca(Oac)2, On" 100.00 166 100.00 100.00 7.67e-118 PDB 4DLV "H-Ras Set 2 Cacl2DTT, ORDERED OFF" 100.00 166 99.40 100.00 2.76e-117 PDB 4DLW "H-Ras Set 2 Ca(Oac)2DTT, ON" 100.00 166 100.00 100.00 7.67e-118 PDB 4DLX "H-Ras Set 1 Cacl2DTE, ORDERED OFF" 100.00 166 99.40 100.00 2.76e-117 PDB 4DLY "Set 1 Cacl2DTT, ORDERED OFF" 100.00 166 99.40 100.00 2.76e-117 PDB 4DLZ "H-Ras Set 2 Ca(Oac)2DTE, ORDERED OFF" 100.00 166 99.40 100.00 2.76e-117 PDB 4EFL "Crystal Structure Of H-ras Wt In Complex With Gppnhp (state 1)" 100.00 171 100.00 100.00 1.56e-117 PDB 4EFM "Crystal Structure Of H-ras G12v In Complex With Gppnhp (state 1)" 100.00 171 99.40 99.40 2.88e-116 PDB 4EFN "Crystal Structure Of H-ras Q61l In Complex With Gppnhp (state 1)" 100.00 171 99.40 99.40 1.92e-116 PDB 4G0N "Crystal Structure Of Wt H-ras-gppnhp Bound To The Rbd Of Raf Kinase" 100.00 166 100.00 100.00 7.67e-118 PDB 4G3X "Crystal Structure Of Q61l H-ras-gppnhp Bound To The Rbd Of Raf Kinase" 100.00 166 99.40 99.40 9.18e-117 PDB 4K81 "Crystal Structure Of The Grb14 Ra And Ph Domains In Complex With Gtp- Loaded H-ras" 100.00 171 99.40 99.40 1.37e-116 PDB 4L9S "Crystal Structure Of H-ras G12c, Gdp-bound" 100.00 171 99.40 99.40 1.80e-116 PDB 4L9W "Crystal Structure Of H-ras G12c, Gmppnp-bound" 100.00 171 99.40 99.40 1.80e-116 PDB 4NYI "Approach For Targeting Ras With Small Molecules That Activate Sos- Mediated Nucleotide Exchange" 100.00 167 100.00 100.00 1.01e-117 PDB 4NYJ "Approach For Targeting Ras With Small Molecules That Activate Sos- Mediated Nucleotide Exchange" 100.00 166 100.00 100.00 7.67e-118 PDB 4NYM "Approach For Targeting Ras With Small Molecules That Activate Sos- Mediated Nucleotide Exchange" 100.00 166 100.00 100.00 7.67e-118 PDB 4Q21 "Molecular Switch For Signal Transduction: Structural Differences Between Active And Inactive Forms Of Protooncogenic Ras Protei" 100.00 189 100.00 100.00 3.20e-117 PDB 4RSG "Neutron Crystal Structure Of Ras Bound To The Gtp Analogue Gppnhp" 100.00 166 100.00 100.00 7.67e-118 PDB 4URU "The Crystal Structure Of H-ras And Sos In Complex With Ligands" 100.00 185 100.00 100.00 2.10e-117 PDB 4URV "The Crystal Structure Of H-ras And Sos In Complex With Ligands" 100.00 185 100.00 100.00 2.10e-117 PDB 4URW "The Crystal Structure Of H-ras And Sos In Complex With Ligands" 100.00 185 100.00 100.00 2.10e-117 PDB 4URX "The Crystal Structure Of H-ras And Sos In Complex With Ligands" 100.00 185 100.00 100.00 2.10e-117 PDB 4URY "The Crystal Structure Of H-ras And Sos In Complex With Ligands" 100.00 185 100.00 100.00 2.10e-117 PDB 4URZ "The Crystal Structure Of H-ras And Sos In Complex With Ligands" 100.00 185 100.00 100.00 2.10e-117 PDB 4US0 "The Crystal Structure Of H-ras And Sos In Complex With Ligands" 100.00 185 100.00 100.00 2.10e-117 PDB 4US1 "The Crystal Structure Of H-ras And Sos In Complex With Ligands" 100.00 185 100.00 100.00 2.10e-117 PDB 4US2 "The Crystal Structure Of H-ras And Sos In Complex With Ligands" 100.00 185 100.00 100.00 2.10e-117 PDB 4XVQ "H-ras Y137e" 100.00 166 99.40 99.40 1.21e-116 PDB 4XVR "H-ras Y137f" 100.00 166 99.40 100.00 2.31e-117 PDB 521P "Three-Dimensional Structures Of H-Ras P21 Mutants: Molecular Basis For Their Inability To Function As Signal Switch Molecules" 100.00 166 98.80 98.80 8.72e-116 PDB 5P21 "Refined Crystal Structure Of The Triphosphate Conformation Of H-Ras P21 At 1.35 Angstroms Resolution: Implications For The Mech" 100.00 166 100.00 100.00 7.67e-118 PDB 621P "Three-Dimensional Structures Of H-Ras P21 Mutants: Molecular Basis For Their Inability To Function As Signal Switch Molecules" 100.00 166 99.40 99.40 5.55e-117 PDB 6Q21 "Molecular Switch For Signal Transduction: Structural Differences Between Active And Inactive Forms Of Protooncogenic Ras Protei" 100.00 171 100.00 100.00 6.15e-118 PDB 721P "Three-Dimensional Structures Of H-Ras P21 Mutants: Molecular Basis For Their Inability To Function As Signal Switch Molecules" 100.00 166 99.40 99.40 9.18e-117 PDB 821P "Three-Dimensional Structures And Properties Of A Transforming And A Nontransforming Glycine-12 Mutant Of P21h-Ras" 100.00 166 99.40 99.40 1.11e-116 DBJ BAB61869 "Rai-chu 101 [synthetic construct]" 100.00 740 100.00 100.00 1.34e-110 DBJ BAB61870 "Rai-chu 101X [synthetic construct]" 100.00 764 100.00 100.00 1.62e-110 DBJ BAB88314 "c-Ha-ras p21 protein [synthetic construct]" 100.00 189 100.00 100.00 3.20e-117 DBJ BAB88315 "c-Ha-ras p21 protein [synthetic construct]" 100.00 189 100.00 100.00 3.20e-117 DBJ BAB88316 "c-Ha-ras p21 protein [synthetic construct]" 100.00 189 100.00 100.00 3.20e-117 EMBL CAA25322 "transforming protein p21 [Moloney murine sarcoma virus]" 100.00 189 98.80 98.80 2.88e-115 EMBL CAA25624 "p21 protein [Homo sapiens]" 67.47 112 99.11 99.11 3.98e-74 EMBL CAA27258 "unnamed protein product [Gallus gallus]" 100.00 189 98.80 99.40 7.12e-116 EMBL CAA35240 "p21 ras [Bos taurus]" 57.83 96 97.92 98.96 2.83e-61 EMBL CAA90306 "C-H-Ras [Mus musculus]" 100.00 189 99.40 99.40 4.08e-116 GB AAA36554 "c-Ki-ras p21 protein, partial [Homo sapiens]" 57.83 96 97.92 97.92 1.75e-61 GB AAA42009 "c-ras-H-1 protein [Rattus norvegicus]" 100.00 189 100.00 100.00 3.09e-117 GB AAA46568 "transforming protein p21 has [Harvey murine sarcoma virus]" 100.00 241 98.19 98.19 1.81e-115 GB AAA46569 "protein p30 [Harvey murine sarcoma virus]" 100.00 241 98.19 98.19 1.81e-115 GB AAA46570 "p21 v-has transforming protein [Harvey murine sarcoma virus]" 100.00 189 98.19 98.19 1.49e-114 PIR A43816 "transforming protein ras - rabbit" 100.00 189 99.40 100.00 6.65e-117 PIR TVMVNS "transforming protein ras - NS.C58 murine sarcoma virus" 100.00 189 99.40 99.40 6.18e-116 PRF 0904302A protein,c-Ha-ras-1 100.00 189 99.40 99.40 7.28e-116 PRF 1604384A "ras oncogene" 100.00 189 97.59 97.59 9.46e-112 REF NP_001017003 "GTPase HRas [Xenopus (Silurana) tropicalis]" 100.00 189 98.80 99.40 5.19e-116 REF NP_001018465 "-Ha-ras Harvey rat sarcoma viral oncogene homolog b [Danio rerio]" 100.00 189 97.59 99.40 1.22e-114 REF NP_001084278 "Harvey rat sarcoma viral oncogene homolog [Xenopus laevis]" 100.00 189 98.80 99.40 5.19e-116 REF NP_001091711 "GTPase HRas precursor [Rattus norvegicus]" 100.00 189 100.00 100.00 3.20e-117 REF NP_001123913 "GTPase HRas precursor [Rattus norvegicus]" 100.00 189 100.00 100.00 3.20e-117 SP P01112 "RecName: Full=GTPase HRas; AltName: Full=H-Ras-1; AltName: Full=Ha-Ras; AltName: Full=Transforming protein p21; AltName: Full=c" 100.00 189 100.00 100.00 3.20e-117 SP P01113 "RecName: Full=GTPase HRas; AltName: Full=Transforming protein p21/H-Ras; Flags: Precursor" 100.00 189 98.80 99.40 1.42e-115 SP P01114 "RecName: Full=Transforming protein p29; Contains: RecName: Full=Transforming protein p21; Flags: Precursor" 100.00 248 98.19 98.19 3.65e-114 SP P01115 "RecName: Full=Transforming protein p29; Contains: RecName: Full=Transforming protein p21; Flags: Precursor" 100.00 241 98.19 98.19 1.81e-115 SP P08642 "RecName: Full=GTPase HRas; AltName: Full=H-Ras-1; AltName: Full=Transforming protein p21; AltName: Full=c-H-ras; AltName: Full=" 100.00 189 98.80 99.40 7.12e-116 TPG DAA13500 "TPA: v-Ha-ras Harvey rat sarcoma viral oncogene homolog [Bos taurus]" 100.00 189 98.80 99.40 2.82e-115 stop_ save_ ############# # Ligands # ############# save_GNP _Saveframe_category ligand _Mol_type non-polymer _Name_common "GNP (PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER)" _BMRB_code . _PDB_code GNP _Molecular_mass 522.196 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic yes _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue May 31 12:17:00 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons PG PG P . 0 . ? O1G O1G O . 0 . ? O2G O2G O . 0 . ? O3G O3G O . 0 . ? N3B N3B N . 0 . ? PB PB P . 0 . ? O1B O1B O . 0 . ? O2B O2B O . 0 . ? O3A O3A O . 0 . ? PA PA P . 0 . ? O1A O1A O . 0 . ? O2A O2A O . 0 . ? O5' O5' O . 0 . ? C5' C5' C . 0 . ? C4' C4' C . 0 . ? O4' O4' O . 0 . ? C3' C3' C . 0 . ? O3' O3' O . 0 . ? C2' C2' C . 0 . ? O2' O2' O . 0 . ? C1' C1' C . 0 . ? N9 N9 N . 0 . ? C8 C8 C . 0 . ? N7 N7 N . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? O6 O6 O . 0 . ? N1 N1 N . 0 . ? C2 C2 C . 0 . ? N2 N2 N . 0 . ? N3 N3 N . 0 . ? C4 C4 C . 0 . ? HOG2 HOG2 H . 0 . ? HOG3 HOG3 H . 0 . ? HNB3 HNB3 H . 0 . ? HOB2 HOB2 H . 0 . ? HOA2 HOA2 H . 0 . ? H5'2 H5'2 H . 0 . ? H5'1 H5'1 H . 0 . ? H4' H4' H . 0 . ? H3' H3' H . 0 . ? HO3' HO3' H . 0 . ? H2' H2' H . 0 . ? HO2' HO2' H . 0 . ? H1' H1' H . 0 . ? H8 H8 H . 0 . ? HN1 HN1 H . 0 . ? HN21 HN21 H . 0 . ? HN22 HN22 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name DOUB PG O1G ? ? SING PG O2G ? ? SING PG O3G ? ? SING PG N3B ? ? SING O2G HOG2 ? ? SING O3G HOG3 ? ? SING N3B PB ? ? SING N3B HNB3 ? ? DOUB PB O1B ? ? SING PB O2B ? ? SING PB O3A ? ? SING O2B HOB2 ? ? SING O3A PA ? ? DOUB PA O1A ? ? SING PA O2A ? ? SING PA O5' ? ? SING O2A HOA2 ? ? SING O5' C5' ? ? SING C5' C4' ? ? SING C5' H5'2 ? ? SING C5' H5'1 ? ? SING C4' O4' ? ? SING C4' C3' ? ? SING C4' H4' ? ? SING O4' C1' ? ? SING C3' O3' ? ? SING C3' C2' ? ? SING C3' H3' ? ? SING O3' HO3' ? ? SING C2' O2' ? ? SING C2' C1' ? ? SING C2' H2' ? ? SING O2' HO2' ? ? SING C1' N9 ? ? SING C1' H1' ? ? SING N9 C8 ? ? SING N9 C4 ? ? DOUB C8 N7 ? ? SING C8 H8 ? ? SING N7 C5 ? ? SING C5 C6 ? ? DOUB C5 C4 ? ? DOUB C6 O6 ? ? SING C6 N1 ? ? SING N1 C2 ? ? SING N1 HN1 ? ? SING C2 N2 ? ? DOUB C2 N3 ? ? SING N2 HN21 ? ? SING N2 HN22 ? ? SING N3 C4 ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ save_MG _Saveframe_category ligand _Mol_type non-polymer _Name_common "MG (MAGNESIUM ION)" _BMRB_code . _PDB_code MG _Molecular_mass 24.305 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue May 31 12:11:01 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons MG MG MG . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $HRas166 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $HRas166 'recombinant technology' . Escherichia coli . pET stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '1.05 mM 15N-13C H-Ras(1-166)-GNP, pH 7.2, 10mM TRIS, 10 mM NaCl, 5mM MgCl2, 1mM DTT, 0.01% NaN3, 0.1mM EDTA, 1/10 Roche Inhibitors, 1mM GNP in a Shigemi thin-walled tube, 0.33 ml 20 C' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HRas166 1.05 mM '[U-99% 13C; U-99% 15N]' $MG 5 mM 'natural abundance' $GNP 1 mM 'natural abundance' TRIS 10 mM 'natural abundance' 'sodium chloride' 10 mM 'natural abundance' DTT 1 mM 'natural abundance' 'sodium azide' 0.01 % 'natural abundance' 'roche inhibitors' 0.1 x 'natural abundance' EDTA 0.1 mM 'natural abundance' H20 90 % 'natural abundance' D20 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.115 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HN(CO)CACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.2 . pH pressure 1 . atm temperature 293.15 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HN(CO)CA' '3D HN(CO)CACB' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name G-domain _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET C C 173.217 0.014 1 2 1 1 MET CA C 55.144 0.051 1 3 1 1 MET CB C 33.883 0.005 1 4 2 2 THR H H 8.890 0.002 1 5 2 2 THR C C 171.722 0.025 1 6 2 2 THR CA C 63.609 0.090 1 7 2 2 THR CB C 69.427 0.041 1 8 2 2 THR N N 124.478 0.022 1 9 3 3 GLU H H 8.328 0.002 1 10 3 3 GLU C C 175.017 0.013 1 11 3 3 GLU CA C 53.832 0.056 1 12 3 3 GLU CB C 31.898 0.046 1 13 3 3 GLU N N 126.611 0.009 1 14 4 4 TYR H H 8.649 0.003 1 15 4 4 TYR C C 174.604 0.010 1 16 4 4 TYR CA C 56.738 0.057 1 17 4 4 TYR CB C 41.646 0.039 1 18 4 4 TYR N N 121.880 0.02 1 19 5 5 LYS H H 9.113 0.003 1 20 5 5 LYS C C 175.257 0.007 1 21 5 5 LYS CA C 55.293 0.055 1 22 5 5 LYS CB C 31.955 0.035 1 23 5 5 LYS N N 123.861 0.02 1 24 6 6 LEU H H 9.134 0.002 1 25 6 6 LEU C C 175.690 0.050 1 26 6 6 LEU CA C 52.752 0.071 1 27 6 6 LEU CB C 43.134 0.146 1 28 6 6 LEU N N 125.810 0.009 1 29 7 7 VAL H H 8.068 0.003 1 30 7 7 VAL C C 174.063 0.006 1 31 7 7 VAL CA C 60.954 0.046 1 32 7 7 VAL CB C 33.957 0.050 1 33 7 7 VAL N N 122.025 0.020 1 34 8 8 VAL C C 175.173 0.003 1 35 8 8 VAL CA C 61.281 1.384 1 36 8 8 VAL CB C 32.449 0.013 1 37 8 8 VAL N N 129.169 0.02 1 38 9 9 VAL H H 9.055 0.028 1 39 9 9 VAL CA C 58.948 0.050 1 40 9 9 VAL CB C 33.910 1.475 1 41 9 9 VAL N N 120.199 0.098 1 42 10 10 GLY C C 172.663 0.050 1 43 10 10 GLY CA C 43.673 0.021 1 44 11 11 ALA H H 9.155 0.002 1 45 11 11 ALA CA C 52.618 0.050 1 46 11 11 ALA CB C 19.259 0.050 1 47 11 11 ALA N N 123.633 0.02 1 48 12 12 GLY C C 176.582 0.050 1 49 12 12 GLY CA C 46.358 0.100 1 50 13 13 GLY H H 9.021 0.015 1 51 13 13 GLY C C 174.389 0.050 1 52 13 13 GLY CA C 46.243 0.045 1 53 13 13 GLY N N 113.459 0.02 1 54 14 14 VAL H H 7.388 0.002 1 55 14 14 VAL C C 174.450 0.022 1 56 14 14 VAL CA C 62.880 0.054 1 57 14 14 VAL CB C 31.919 0.007 1 58 14 14 VAL N N 112.398 0.015 1 59 15 15 GLY H H 8.268 0.002 1 60 15 15 GLY C C 173.351 0.007 1 61 15 15 GLY CA C 45.870 0.050 1 62 15 15 GLY N N 108.110 0.011 1 63 16 16 LYS H H 8.900 0.012 1 64 16 16 LYS C C 179.061 0.050 1 65 16 16 LYS CA C 61.245 0.141 1 66 16 16 LYS N N 123.237 0.016 1 67 17 17 SER H H 9.435 0.002 1 68 17 17 SER C C 175.701 0.050 1 69 17 17 SER N N 120.287 0.051 1 70 18 18 ALA H H 9.473 0.001 1 71 18 18 ALA C C 182.055 0.031 1 72 18 18 ALA CA C 54.497 0.104 1 73 18 18 ALA CB C 18.340 0.002 1 74 18 18 ALA N N 125.286 0.027 1 75 19 19 LEU H H 8.776 0.003 1 76 19 19 LEU C C 177.457 0.019 1 77 19 19 LEU CA C 58.849 0.067 1 78 19 19 LEU CB C 43.139 0.060 1 79 19 19 LEU N N 120.338 0.026 1 80 20 20 THR H H 7.553 0.006 1 81 20 20 THR CB C 68.186 0.021 1 82 20 20 THR N N 117.234 0.023 1 83 21 21 ILE C C 179.194 0.050 1 84 21 21 ILE CA C 64.541 0.022 1 85 22 22 GLN H H 7.921 0.004 1 86 22 22 GLN C C 179.251 0.050 1 87 22 22 GLN CA C 59.195 0.046 1 88 22 22 GLN N N 120.814 0.004 1 89 23 23 LEU H H 7.638 0.004 1 90 23 23 LEU C C 178.178 0.010 1 91 23 23 LEU CA C 58.182 0.075 1 92 23 23 LEU CB C 40.632 0.006 1 93 23 23 LEU N N 120.389 0.008 1 94 24 24 ILE H H 8.121 0.004 1 95 24 24 ILE C C 177.486 0.018 1 96 24 24 ILE CA C 62.038 0.037 1 97 24 24 ILE CB C 37.202 0.084 1 98 24 24 ILE N N 114.076 0.028 1 99 25 25 GLN H H 8.915 0.005 1 100 25 25 GLN C C 176.099 0.010 1 101 25 25 GLN CA C 55.214 0.039 1 102 25 25 GLN CB C 30.425 0.136 1 103 25 25 GLN N N 116.113 0.018 1 104 26 26 ASN H H 7.934 0.004 1 105 26 26 ASN C C 173.923 0.009 1 106 26 26 ASN CA C 54.525 0.096 1 107 26 26 ASN CB C 37.263 0.150 1 108 26 26 ASN N N 116.620 0.001 1 109 27 27 HIS H H 6.669 0.003 1 110 27 27 HIS C C 172.504 0.050 1 111 27 27 HIS CA C 54.586 0.050 1 112 27 27 HIS CB C 33.023 0.050 1 113 27 27 HIS N N 111.997 0.028 1 114 28 28 PHE H H 8.355 0.050 1 115 28 28 PHE N N 122.565 0.02 1 116 34 34 PRO C C 175.702 0.050 1 117 34 34 PRO CA C 54.645 0.050 1 118 34 34 PRO CB C 31.607 0.050 1 119 35 35 THR C C 173.929 0.050 1 120 35 35 THR CA C 63.885 0.050 1 121 35 35 THR CB C 68.244 0.050 1 122 36 36 ILE CA C 56.868 0.050 1 123 38 38 ASP C C 174.435 0.050 1 124 38 38 ASP CA C 54.473 0.050 1 125 38 38 ASP CB C 39.624 0.050 1 126 39 39 SER C C 173.169 0.050 1 127 39 39 SER CA C 56.999 0.067 1 128 39 39 SER CB C 65.034 0.050 1 129 40 40 TYR H H 9.000 0.004 1 130 40 40 TYR C C 172.904 0.027 1 131 40 40 TYR CA C 56.848 0.011 1 132 40 40 TYR CB C 64.994 0.028 1 133 40 40 TYR N N 122.048 0.019 1 134 41 41 ARG H H 8.333 0.003 1 135 41 41 ARG C C 176.026 0.009 1 136 41 41 ARG CA C 54.372 0.114 1 137 41 41 ARG CB C 34.297 0.050 1 138 41 41 ARG N N 122.259 0.02 1 139 42 42 LYS H H 8.674 0.002 1 140 42 42 LYS C C 173.706 0.005 1 141 42 42 LYS CA C 55.758 0.027 1 142 42 42 LYS CB C 35.938 1.751 1 143 42 42 LYS N N 122.764 0.055 1 144 43 43 GLN H H 8.874 0.002 1 145 43 43 GLN C C 175.210 0.019 1 146 43 43 GLN CA C 55.657 0.090 1 147 43 43 GLN CB C 29.829 0.065 1 148 43 43 GLN N N 129.045 0.016 1 149 44 44 VAL H H 9.035 0.002 1 150 44 44 VAL C C 173.109 0.005 1 151 44 44 VAL CA C 59.521 0.168 1 152 44 44 VAL CB C 36.112 0.144 1 153 44 44 VAL N N 120.885 0.014 1 154 45 45 VAL H H 8.045 0.002 1 155 45 45 VAL C C 175.441 0.021 1 156 45 45 VAL CB C 32.368 0.032 1 157 45 45 VAL N N 121.106 0.014 1 158 46 46 ILE H H 8.115 0.003 1 159 46 46 ILE C C 176.266 0.057 1 160 46 46 ILE CA C 60.187 0.050 1 161 46 46 ILE CB C 40.063 0.096 1 162 46 46 ILE N N 125.764 0.022 1 163 47 47 ASP H H 9.522 0.005 1 164 47 47 ASP C C 176.132 0.010 1 165 47 47 ASP CA C 55.290 0.042 1 166 47 47 ASP CB C 39.128 0.133 1 167 47 47 ASP N N 130.550 0.042 1 168 48 48 GLY H H 8.273 0.002 1 169 48 48 GLY C C 173.185 0.004 1 170 48 48 GLY CA C 45.211 0.093 1 171 48 48 GLY N N 135.858 0.005 1 172 49 49 GLU H H 7.668 0.003 1 173 49 49 GLU C C 175.610 0.012 1 174 49 49 GLU CA C 54.638 0.049 1 175 49 49 GLU CB C 31.788 0.071 1 176 49 49 GLU N N 122.383 0.02 1 177 50 50 THR H H 8.883 0.005 1 178 50 50 THR C C 173.494 0.012 1 179 50 50 THR CA C 63.727 0.093 1 180 50 50 THR CB C 68.349 0.129 1 181 50 50 THR N N 125.966 0.026 1 182 51 51 CYS H H 9.424 0.003 1 183 51 51 CYS C C 170.865 0.014 1 184 51 51 CYS CA C 56.461 0.074 1 185 51 51 CYS CB C 31.419 0.004 1 186 51 51 CYS N N 124.162 0.017 1 187 52 52 LEU H H 8.710 0.003 1 188 52 52 LEU C C 174.959 0.004 1 189 52 52 LEU CA C 53.516 0.107 1 190 52 52 LEU CB C 44.262 0.018 1 191 52 52 LEU N N 121.937 0.014 1 192 53 53 LEU H H 9.025 0.002 1 193 53 53 LEU C C 174.892 0.050 1 194 53 53 LEU CA C 53.706 0.082 1 195 53 53 LEU N N 123.474 0.013 1 196 54 54 ASP H H 9.041 0.004 1 197 54 54 ASP CA C 53.011 0.050 1 198 54 54 ASP N N 123.990 0.02 1 199 55 55 ILE H H 9.179 0.005 1 200 55 55 ILE C C 174.374 0.050 1 201 55 55 ILE CA C 60.486 0.063 1 202 55 55 ILE CB C 43.310 0.050 1 203 55 55 ILE N N 124.113 0.02 1 204 56 56 LEU H H 8.908 0.003 1 205 56 56 LEU CA C 53.854 0.054 1 206 56 56 LEU N N 130.270 0.015 1 207 76 76 GLU C C 176.462 0.001 1 208 76 76 GLU CA C 56.576 0.015 1 209 76 76 GLU CB C 32.123 0.129 1 210 77 77 GLY H H 7.138 0.002 1 211 77 77 GLY C C 170.775 0.029 1 212 77 77 GLY CA C 45.430 0.075 1 213 77 77 GLY N N 134.024 0.010 1 214 78 78 PHE H H 8.142 0.002 1 215 78 78 PHE C C 173.612 0.011 1 216 78 78 PHE CA C 56.961 0.051 1 217 78 78 PHE CB C 42.988 0.138 1 218 78 78 PHE N N 121.153 0.007 1 219 79 79 LEU H H 9.171 0.003 1 220 79 79 LEU C C 174.573 0.050 1 221 79 79 LEU CA C 54.002 0.066 1 222 79 79 LEU CB C 42.825 0.091 1 223 79 79 LEU N N 126.775 0.034 1 224 80 80 CYS H H 8.687 0.002 1 225 80 80 CYS C C 172.657 0.009 1 226 80 80 CYS CA C 57.850 0.079 1 227 80 80 CYS CB C 27.332 0.048 1 228 80 80 CYS N N 124.533 0.006 1 229 81 81 VAL H H 9.061 0.004 1 230 81 81 VAL C C 175.015 0.016 1 231 81 81 VAL CA C 61.332 0.109 1 232 81 81 VAL CB C 33.304 0.039 1 233 81 81 VAL N N 126.028 0.007 1 234 82 82 PHE H H 9.235 0.003 1 235 82 82 PHE C C 171.125 0.011 1 236 82 82 PHE CA C 55.347 0.039 1 237 82 82 PHE CB C 40.456 0.002 1 238 82 82 PHE N N 123.764 0.012 1 239 83 83 ALA H H 8.626 0.001 1 240 83 83 ALA C C 179.251 0.005 1 241 83 83 ALA CA C 49.725 0.083 1 242 83 83 ALA CB C 21.678 0.026 1 243 83 83 ALA N N 120.953 0.009 1 244 84 84 ILE H H 8.428 0.003 1 245 84 84 ILE C C 174.159 0.017 1 246 84 84 ILE CA C 63.309 0.016 1 247 84 84 ILE CB C 38.005 0.094 1 248 84 84 ILE N N 113.166 0.016 1 249 85 85 ASN H H 7.834 0.002 1 250 85 85 ASN C C 174.568 0.005 1 251 85 85 ASN CA C 52.077 0.104 1 252 85 85 ASN CB C 38.057 0.050 1 253 85 85 ASN N N 116.900 0.007 1 254 86 86 ASN H H 7.878 0.003 1 255 86 86 ASN C C 175.129 0.019 1 256 86 86 ASN CA C 53.011 0.017 1 257 86 86 ASN CB C 38.977 0.089 1 258 86 86 ASN N N 119.019 0.020 1 259 87 87 THR H H 9.204 0.015 1 260 87 87 THR C C 175.990 0.050 1 261 87 87 THR CA C 66.781 0.064 1 262 87 87 THR CB C 68.415 0.050 1 263 87 87 THR N N 124.172 0.041 1 264 88 88 LYS H H 8.395 0.002 1 265 88 88 LYS C C 178.022 0.022 1 266 88 88 LYS CA C 59.481 0.073 1 267 88 88 LYS CB C 31.289 0.016 1 268 88 88 LYS N N 124.080 0.005 1 269 89 89 SER H H 7.908 0.004 1 270 89 89 SER C C 175.810 0.007 1 271 89 89 SER CA C 61.706 0.029 1 272 89 89 SER CB C 63.635 0.095 1 273 89 89 SER N N 114.342 0.031 1 274 90 90 PHE H H 7.375 0.003 1 275 90 90 PHE C C 177.185 0.007 1 276 90 90 PHE CA C 59.823 0.042 1 277 90 90 PHE CB C 40.011 0.018 1 278 90 90 PHE N N 124.826 0.026 1 279 91 91 GLU H H 8.319 0.003 1 280 91 91 GLU C C 179.675 0.058 1 281 91 91 GLU CA C 59.130 0.059 1 282 91 91 GLU CB C 29.041 0.133 1 283 91 91 GLU N N 121.487 0.004 1 284 92 92 ASP H H 8.428 0.004 1 285 92 92 ASP C C 177.755 0.050 1 286 92 92 ASP CA C 56.242 0.097 1 287 92 92 ASP CB C 41.034 0.038 1 288 92 92 ASP N N 117.277 0.023 1 289 93 93 ILE H H 7.510 0.004 1 290 93 93 ILE C C 177.331 0.013 1 291 93 93 ILE CA C 62.199 0.022 1 292 93 93 ILE CB C 34.656 0.084 1 293 93 93 ILE N N 120.318 0.041 1 294 94 94 HIS H H 7.668 0.003 1 295 94 94 HIS C C 177.355 0.015 1 296 94 94 HIS CA C 60.063 0.085 1 297 94 94 HIS CB C 30.795 0.075 1 298 94 94 HIS N N 117.404 0.02 1 299 95 95 GLN H H 7.388 0.003 1 300 95 95 GLN C C 179.293 0.012 1 301 95 95 GLN CA C 58.373 0.048 1 302 95 95 GLN CB C 27.876 0.064 1 303 95 95 GLN N N 115.898 0.013 1 304 96 96 TYR H H 7.556 0.004 1 305 96 96 TYR C C 177.484 0.024 1 306 96 96 TYR CA C 63.182 0.092 1 307 96 96 TYR CB C 38.058 0.130 1 308 96 96 TYR N N 119.106 0.02 1 309 97 97 ARG H H 8.330 0.004 1 310 97 97 ARG C C 177.645 0.013 1 311 97 97 ARG CA C 59.942 0.120 1 312 97 97 ARG CB C 28.842 0.050 1 313 97 97 ARG N N 118.367 0.02 1 314 98 98 GLU H H 7.967 0.003 1 315 98 98 GLU C C 178.927 0.012 1 316 98 98 GLU CA C 58.969 0.062 1 317 98 98 GLU CB C 28.384 0.833 1 318 98 98 GLU N N 117.225 0.02 1 319 99 99 GLN H H 7.818 0.003 1 320 99 99 GLN C C 177.444 0.010 1 321 99 99 GLN CA C 59.279 0.090 1 322 99 99 GLN CB C 29.211 0.050 1 323 99 99 GLN N N 120.308 0.026 1 324 100 100 ILE H H 7.996 0.009 1 325 100 100 ILE C C 177.276 0.036 1 326 100 100 ILE CA C 65.833 0.113 1 327 100 100 ILE CB C 38.011 0.047 1 328 100 100 ILE N N 120.094 0.02 1 329 101 101 LYS H H 7.739 0.004 1 330 101 101 LYS C C 179.469 0.045 1 331 101 101 LYS CA C 59.750 0.089 1 332 101 101 LYS CB C 32.445 0.076 1 333 101 101 LYS N N 116.982 0.02 1 334 102 102 ARG H H 7.688 0.003 1 335 102 102 ARG C C 178.781 0.855 1 336 102 102 ARG CA C 59.042 0.072 1 337 102 102 ARG CB C 29.764 0.050 1 338 102 102 ARG N N 118.139 0.002 1 339 103 103 VAL H H 8.350 0.003 1 340 103 103 VAL C C 178.087 0.050 1 341 103 103 VAL CA C 65.761 0.179 1 342 103 103 VAL CB C 31.453 0.050 1 343 103 103 VAL N N 118.548 0.02 1 344 104 104 LYS H H 8.126 0.006 1 345 104 104 LYS C C 174.448 0.050 1 346 104 104 LYS CA C 55.483 0.055 1 347 104 104 LYS CB C 31.086 0.050 1 348 104 104 LYS N N 115.924 0.014 1 349 105 105 ASP H H 7.887 0.007 1 350 105 105 ASP C C 174.448 0.050 1 351 105 105 ASP CA C 54.449 0.095 1 352 105 105 ASP CB C 39.622 0.073 1 353 105 105 ASP N N 120.766 0.002 1 354 106 106 SER H H 7.495 0.002 1 355 106 106 SER C C 172.976 0.028 1 356 106 106 SER CA C 56.826 0.024 1 357 106 106 SER CB C 65.034 0.050 1 358 106 106 SER N N 109.053 0.017 1 359 107 107 ASP H H 8.336 0.001 1 360 107 107 ASP C C 176.008 0.050 1 361 107 107 ASP CA C 54.367 0.099 1 362 107 107 ASP CB C 41.565 0.050 1 363 107 107 ASP N N 122.180 0.02 1 364 108 108 ASP H H 8.359 0.001 1 365 108 108 ASP C C 174.339 0.050 1 366 108 108 ASP CA C 53.074 0.132 1 367 108 108 ASP CB C 41.222 0.114 1 368 108 108 ASP N N 120.960 0.006 1 369 109 109 VAL H H 7.615 0.003 1 370 109 109 VAL C C 174.050 0.050 1 371 109 109 VAL CA C 59.190 0.063 1 372 109 109 VAL N N 122.555 0.001 1 373 110 110 PRO C C 175.927 0.007 1 374 110 110 PRO CA C 63.949 0.071 1 375 110 110 PRO CB C 32.197 0.036 1 376 111 111 MET H H 8.236 0.002 1 377 111 111 MET C C 173.717 0.050 1 378 111 111 MET CA C 55.216 0.034 1 379 111 111 MET CB C 37.576 0.276 1 380 111 111 MET N N 122.915 0.017 1 381 112 112 VAL H H 8.058 0.001 1 382 112 112 VAL C C 173.120 0.002 1 383 112 112 VAL CA C 61.064 0.043 1 384 112 112 VAL CB C 37.505 0.185 1 385 112 112 VAL N N 118.009 0.007 1 386 113 113 LEU H H 8.861 0.005 1 387 113 113 LEU C C 173.560 0.136 1 388 113 113 LEU CA C 53.948 0.053 1 389 113 113 LEU CB C 43.768 0.067 1 390 113 113 LEU N N 128.892 0.061 1 391 114 114 VAL H H 9.157 0.002 1 392 114 114 VAL C C 173.639 0.010 1 393 114 114 VAL CA C 60.085 0.064 1 394 114 114 VAL CB C 35.076 0.024 1 395 114 114 VAL N N 128.156 0.007 1 396 115 115 GLY H H 7.993 0.004 1 397 115 115 GLY C C 171.524 0.005 1 398 115 115 GLY CA C 45.267 0.056 1 399 115 115 GLY N N 114.419 0.027 1 400 116 116 ASN H H 8.691 0.002 1 401 116 116 ASN C C 174.688 0.005 1 402 116 116 ASN CA C 51.458 0.032 1 403 116 116 ASN CB C 41.117 0.013 1 404 116 116 ASN N N 121.082 0.027 1 405 117 117 LYS H H 7.286 0.003 1 406 117 117 LYS C C 177.293 0.013 1 407 117 117 LYS CA C 57.283 0.055 1 408 117 117 LYS CB C 29.629 0.074 1 409 117 117 LYS N N 111.924 0.013 1 410 118 118 CYS H H 8.675 0.003 1 411 118 118 CYS C C 173.310 0.015 1 412 118 118 CYS CA C 60.860 0.045 1 413 118 118 CYS CB C 26.265 0.075 1 414 118 118 CYS N N 113.972 0.007 1 415 119 119 ASP H H 8.536 0.003 1 416 119 119 ASP C C 175.408 0.018 1 417 119 119 ASP CA C 54.067 0.060 1 418 119 119 ASP CB C 41.344 0.061 1 419 119 119 ASP N N 117.115 0.003 1 420 120 120 LEU H H 7.750 0.002 1 421 120 120 LEU C C 176.369 0.006 1 422 120 120 LEU CA C 54.692 0.061 1 423 120 120 LEU CB C 41.798 0.030 1 424 120 120 LEU N N 120.808 0.019 1 425 121 121 ALA H H 8.093 0.003 1 426 121 121 ALA C C 178.607 0.005 1 427 121 121 ALA CA C 53.033 0.067 1 428 121 121 ALA CB C 19.031 0.031 1 429 121 121 ALA N N 122.600 0.028 1 430 122 122 ALA H H 7.641 0.002 1 431 122 122 ALA C C 175.230 0.002 1 432 122 122 ALA CA C 51.273 0.060 1 433 122 122 ALA CB C 17.620 0.019 1 434 122 122 ALA N N 121.641 0.016 1 435 123 123 ARG H H 7.957 0.002 1 436 123 123 ARG C C 176.196 0.020 1 437 123 123 ARG CA C 55.689 0.090 1 438 123 123 ARG CB C 32.673 0.104 1 439 123 123 ARG N N 120.123 0.011 1 440 124 124 THR H H 9.095 0.002 1 441 124 124 THR C C 174.113 0.050 1 442 124 124 THR CA C 61.747 0.058 1 443 124 124 THR CB C 68.912 0.036 1 444 124 124 THR N N 114.308 0.014 1 445 125 125 VAL H H 7.573 0.002 1 446 125 125 VAL C C 175.677 0.006 1 447 125 125 VAL CA C 61.440 0.078 1 448 125 125 VAL CB C 33.102 0.011 1 449 125 125 VAL N N 124.414 0.015 1 450 126 126 GLU H H 8.695 0.002 1 451 126 126 GLU C C 177.932 0.007 1 452 126 126 GLU CA C 56.229 0.049 1 453 126 126 GLU CB C 30.062 0.036 1 454 126 126 GLU N N 127.084 0.012 1 455 127 127 SER H H 9.378 0.002 1 456 127 127 SER C C 176.602 0.050 1 457 127 127 SER CA C 62.795 0.064 1 458 127 127 SER CB C 62.811 0.056 1 459 127 127 SER N N 121.654 0.019 1 460 128 128 ARG H H 8.621 0.001 1 461 128 128 ARG C C 177.676 0.003 1 462 128 128 ARG CA C 58.878 0.053 1 463 128 128 ARG CB C 29.312 0.267 1 464 128 128 ARG N N 117.815 0.012 1 465 129 129 GLN H H 6.733 0.002 1 466 129 129 GLN C C 178.951 0.004 1 467 129 129 GLN CA C 58.406 0.048 1 468 129 129 GLN CB C 28.815 0.027 1 469 129 129 GLN N N 116.776 0.015 1 470 130 130 ALA H H 6.963 0.002 1 471 130 130 ALA C C 178.081 0.003 1 472 130 130 ALA CA C 54.817 0.055 1 473 130 130 ALA CB C 18.698 0.039 1 474 130 130 ALA N N 123.396 0.023 1 475 131 131 GLN H H 8.548 0.001 1 476 131 131 GLN C C 179.377 0.009 1 477 131 131 GLN CA C 58.906 0.055 1 478 131 131 GLN CB C 28.489 0.008 1 479 131 131 GLN N N 117.893 0.013 1 480 132 132 ASP H H 8.171 0.002 1 481 132 132 ASP C C 178.818 0.001 1 482 132 132 ASP CA C 57.269 0.057 1 483 132 132 ASP CB C 39.724 0.018 1 484 132 132 ASP N N 120.057 0.022 1 485 133 133 LEU H H 7.435 0.001 1 486 133 133 LEU C C 178.903 0.009 1 487 133 133 LEU CA C 57.842 0.072 1 488 133 133 LEU CB C 41.618 0.016 1 489 133 133 LEU N N 123.523 0.006 1 490 134 134 ALA H H 8.360 0.001 1 491 134 134 ALA C C 179.834 0.050 1 492 134 134 ALA CA C 55.922 0.041 1 493 134 134 ALA CB C 18.088 0.038 1 494 134 134 ALA N N 121.645 0.021 1 495 135 135 ARG H H 8.386 0.003 1 496 135 135 ARG C C 179.964 0.023 1 497 135 135 ARG CA C 59.461 0.063 1 498 135 135 ARG CB C 29.693 0.051 1 499 135 135 ARG N N 118.194 0.006 1 500 136 136 SER H H 7.892 0.003 1 501 136 136 SER C C 176.105 0.008 1 502 136 136 SER CA C 61.486 0.090 1 503 136 136 SER CB C 62.570 0.050 1 504 136 136 SER N N 117.741 0.006 1 505 137 137 TYR H H 7.622 0.002 1 506 137 137 TYR C C 176.243 0.011 1 507 137 137 TYR CA C 54.694 0.041 1 508 137 137 TYR CB C 38.607 0.020 1 509 137 137 TYR N N 120.059 0.017 1 510 138 138 GLY H H 8.268 0.002 1 511 138 138 GLY C C 175.095 0.007 1 512 138 138 GLY CA C 46.392 0.070 1 513 138 138 GLY N N 110.791 0.033 1 514 139 139 ILE H H 8.101 0.274 1 515 139 139 ILE C C 172.795 0.050 1 516 139 139 ILE CA C 58.505 0.019 1 517 139 139 ILE CB C 38.359 0.050 1 518 139 139 ILE N N 113.186 0.083 1 519 140 140 PRO C C 174.514 0.008 1 520 140 140 PRO CA C 62.441 0.028 1 521 140 140 PRO CB C 32.987 0.001 1 522 141 141 TYR H H 8.203 0.003 1 523 141 141 TYR C C 174.464 0.001 1 524 141 141 TYR CA C 54.907 0.080 1 525 141 141 TYR CB C 40.990 0.056 1 526 141 141 TYR N N 119.881 0.004 1 527 142 142 ILE H H 8.449 0.002 1 528 142 142 ILE C C 172.855 0.015 1 529 142 142 ILE CA C 59.452 0.064 1 530 142 142 ILE CB C 42.231 0.049 1 531 142 142 ILE N N 130.088 0.025 1 532 143 143 GLU H H 7.777 0.002 1 533 143 143 GLU C C 176.117 0.003 1 534 143 143 GLU CA C 55.797 0.070 1 535 143 143 GLU CB C 29.476 0.021 1 536 143 143 GLU N N 124.703 0.028 1 537 144 144 THR H H 8.753 0.002 1 538 144 144 THR C C 176.115 0.004 1 539 144 144 THR CA C 59.584 0.065 1 540 144 144 THR CB C 73.377 0.098 1 541 144 144 THR N N 112.553 0.018 1 542 145 145 SER H H 8.708 0.004 1 543 145 145 SER C C 175.695 0.050 1 544 145 145 SER CA C 57.451 0.118 1 545 145 145 SER CB C 64.349 0.095 1 546 145 145 SER N N 112.311 0.008 1 547 146 146 ALA H H 9.082 0.001 1 548 146 146 ALA C C 175.530 0.009 1 549 146 146 ALA CA C 54.519 0.038 1 550 146 146 ALA CB C 18.693 0.074 1 551 146 146 ALA N N 132.213 0.012 1 552 147 147 LYS H H 6.952 0.004 1 553 147 147 LYS C C 176.992 0.008 1 554 147 147 LYS CA C 58.253 0.065 1 555 147 147 LYS CB C 33.767 0.021 1 556 147 147 LYS N N 116.052 0.018 1 557 148 148 THR H H 7.607 0.003 1 558 148 148 THR C C 175.886 0.050 1 559 148 148 THR CA C 61.440 0.083 1 560 148 148 THR CB C 69.537 0.044 1 561 148 148 THR N N 106.008 0.013 1 562 149 149 ARG H H 7.722 0.007 1 563 149 149 ARG C C 175.417 0.036 1 564 149 149 ARG CA C 59.578 0.098 1 565 149 149 ARG CB C 30.413 0.070 1 566 149 149 ARG N N 118.190 0.022 1 567 150 150 GLN H H 7.776 0.002 1 568 150 150 GLN C C 176.971 0.006 1 569 150 150 GLN CA C 57.354 0.032 1 570 150 150 GLN CB C 28.570 0.017 1 571 150 150 GLN N N 124.087 0.021 1 572 151 151 GLY H H 8.893 0.002 1 573 151 151 GLY C C 173.505 0.016 1 574 151 151 GLY CA C 46.918 0.019 1 575 151 151 GLY N N 115.077 0.012 1 576 152 152 VAL H H 7.016 0.003 1 577 152 152 VAL C C 177.000 0.108 1 578 152 152 VAL CA C 68.311 0.066 1 579 152 152 VAL CB C 31.360 0.049 1 580 152 152 VAL N N 120.392 0.018 1 581 153 153 GLU H H 8.169 0.003 1 582 153 153 GLU C C 177.160 0.003 1 583 153 153 GLU CA C 60.414 0.029 1 584 153 153 GLU CB C 28.673 0.022 1 585 153 153 GLU N N 116.669 0.032 1 586 154 154 ASP H H 8.103 0.001 1 587 154 154 ASP C C 179.296 0.006 1 588 154 154 ASP CA C 57.278 0.062 1 589 154 154 ASP CB C 39.867 0.018 1 590 154 154 ASP N N 116.310 0.022 1 591 155 155 ALA H H 8.550 0.002 1 592 155 155 ALA C C 177.702 0.149 1 593 155 155 ALA CA C 56.415 0.323 1 594 155 155 ALA CB C 17.420 0.015 1 595 155 155 ALA N N 124.017 0.005 1 596 156 156 PHE H H 7.159 0.002 1 597 156 156 PHE C C 177.961 0.009 1 598 156 156 PHE CA C 63.001 0.049 1 599 156 156 PHE CB C 39.586 0.043 1 600 156 156 PHE N N 112.501 0.008 1 601 157 157 TYR H H 9.481 0.002 1 602 157 157 TYR C C 179.054 0.005 1 603 157 157 TYR CA C 58.470 0.019 1 604 157 157 TYR CB C 34.934 0.018 1 605 157 157 TYR N N 119.093 0.011 1 606 158 158 THR H H 8.481 0.001 1 607 158 158 THR C C 175.613 0.009 1 608 158 158 THR CA C 67.677 0.074 1 609 158 158 THR CB C 21.384 0.050 1 610 158 158 THR N N 116.886 0.025 1 611 159 159 LEU H H 7.192 0.002 1 612 159 159 LEU C C 177.469 0.002 1 613 159 159 LEU CA C 58.008 0.044 1 614 159 159 LEU CB C 40.036 0.099 1 615 159 159 LEU N N 121.625 0.018 1 616 160 160 VAL H H 7.461 0.001 1 617 160 160 VAL C C 177.407 0.016 1 618 160 160 VAL CA C 67.462 0.027 1 619 160 160 VAL CB C 30.657 0.050 1 620 160 160 VAL N N 118.918 0.008 1 621 161 161 ARG H H 7.979 0.002 1 622 161 161 ARG C C 178.944 0.004 1 623 161 161 ARG CA C 60.943 0.053 1 624 161 161 ARG CB C 29.316 0.018 1 625 161 161 ARG N N 118.854 0.020 1 626 162 162 GLU H H 8.137 0.004 1 627 162 162 GLU C C 179.763 0.012 1 628 162 162 GLU CA C 58.732 0.060 1 629 162 162 GLU CB C 30.224 0.184 1 630 162 162 GLU N N 118.002 0.027 1 631 163 163 ILE H H 8.103 0.003 1 632 163 163 ILE C C 178.779 0.003 1 633 163 163 ILE CA C 65.956 0.070 1 634 163 163 ILE CB C 38.195 0.064 1 635 163 163 ILE N N 121.876 0.02 1 636 164 164 ARG H H 8.346 0.005 1 637 164 164 ARG C C 177.543 0.003 1 638 164 164 ARG CA C 60.018 0.096 1 639 164 164 ARG CB C 31.238 0.050 1 640 164 164 ARG N N 118.714 0.020 1 641 165 165 GLN H H 7.977 0.004 1 642 165 165 GLN C C 178.924 0.050 1 643 165 165 GLN CA C 58.802 0.101 1 644 165 165 GLN N N 116.613 0.02 1 stop_ save_