data_6970 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N, 13C assignments for the activated form of the small Rho-GTPase Rac1 ; _BMRB_accession_number 6970 _BMRB_flat_file_name bmr6970.str _Entry_type original _Submission_date 2006-02-06 _Accession_date 2006-02-06 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details ; 1H, 15N, 13C assignments for the activated form of the small Rho-GTPase Rac1. Rac1 is loaded with GMPPNP and Mg2+ ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bouguet-Bonnet Sabine . . 2 Buck Matthias . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 141 "13C chemical shifts" 576 "15N chemical shifts" 141 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-02-08 update BMRB 'complete entry citation' 2006-08-07 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citation1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 15N, 13C assignments for the activated form of the small Rho-GTPase Rac1 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16858624 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bouguet-Bonnet Sabine . . 2 Buck Matthias . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 36 _Journal_issue 'Suppl. 5' _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 51 _Page_last 51 _Year 2006 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Rac1.GMPPNP GTPase' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Rac1 $Rac1 'MAGNESIUM (II) ION' $MG guanosine-5'[(b,g)-imido]triphosphate $GTP stop_ _System_molecular_weight 20294 _System_physical_state native _System_oligomer_state protein _System_paramagnetic no _System_thiol_state 'all free' loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component diamagnetic 'MAGNESIUM (II) ION' stop_ _Database_query_date . _Details ; 1H, 15N, 13C assignments for the activated form of the small Rho-GTPase Rac1. Rac1 is loaded with GMPPNP amd Mg2+ ; save_ ######################## # Monomeric polymers # ######################## save_Rac1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Rac1 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 183 _Mol_residue_sequence ; MQAIKCVVVGDGAVGKTCLL ISYTTNAFPGEYIPTVFDNY SANVMVDGKPVNLGLWDTAG QEDYDRLRPLSYPQTDVFLI CFSLVSPASFENVRAKWYPE VRHHCPNTPIILVGTKLDLR DDKDTIEKLKEKKLTPITYP QGLAMAKEIGAVKYLECSAL TQRGLKTVFDEAIRAVLSPP PVK ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLN 3 ALA 4 ILE 5 LYS 6 CYS 7 VAL 8 VAL 9 VAL 10 GLY 11 ASP 12 GLY 13 ALA 14 VAL 15 GLY 16 LYS 17 THR 18 CYS 19 LEU 20 LEU 21 ILE 22 SER 23 TYR 24 THR 25 THR 26 ASN 27 ALA 28 PHE 29 PRO 30 GLY 31 GLU 32 TYR 33 ILE 34 PRO 35 THR 36 VAL 37 PHE 38 ASP 39 ASN 40 TYR 41 SER 42 ALA 43 ASN 44 VAL 45 MET 46 VAL 47 ASP 48 GLY 49 LYS 50 PRO 51 VAL 52 ASN 53 LEU 54 GLY 55 LEU 56 TRP 57 ASP 58 THR 59 ALA 60 GLY 61 GLN 62 GLU 63 ASP 64 TYR 65 ASP 66 ARG 67 LEU 68 ARG 69 PRO 70 LEU 71 SER 72 TYR 73 PRO 74 GLN 75 THR 76 ASP 77 VAL 78 PHE 79 LEU 80 ILE 81 CYS 82 PHE 83 SER 84 LEU 85 VAL 86 SER 87 PRO 88 ALA 89 SER 90 PHE 91 GLU 92 ASN 93 VAL 94 ARG 95 ALA 96 LYS 97 TRP 98 TYR 99 PRO 100 GLU 101 VAL 102 ARG 103 HIS 104 HIS 105 CYS 106 PRO 107 ASN 108 THR 109 PRO 110 ILE 111 ILE 112 LEU 113 VAL 114 GLY 115 THR 116 LYS 117 LEU 118 ASP 119 LEU 120 ARG 121 ASP 122 ASP 123 LYS 124 ASP 125 THR 126 ILE 127 GLU 128 LYS 129 LEU 130 LYS 131 GLU 132 LYS 133 LYS 134 LEU 135 THR 136 PRO 137 ILE 138 THR 139 TYR 140 PRO 141 GLN 142 GLY 143 LEU 144 ALA 145 MET 146 ALA 147 LYS 148 GLU 149 ILE 150 GLY 151 ALA 152 VAL 153 LYS 154 TYR 155 LEU 156 GLU 157 CYS 158 SER 159 ALA 160 LEU 161 THR 162 GLN 163 ARG 164 GLY 165 LEU 166 LYS 167 THR 168 VAL 169 PHE 170 ASP 171 GLU 172 ALA 173 ILE 174 ARG 175 ALA 176 VAL 177 LEU 178 SER 179 PRO 180 PRO 181 PRO 182 VAL 183 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 5511 Racdm 100.00 188 100.00 100.00 1.66e-131 PDB 1E96 "Structure Of The RacP67PHOX COMPLEX" 99.45 192 98.90 98.90 4.31e-128 PDB 1FOE "Crystal Structure Of Rac1 In Complex With The Guanine Nucleotide Exchange Region Of Tiam1" 96.72 177 100.00 100.00 5.22e-127 PDB 1G4U "Crystal Structure Of The Salmonella Tyrosine Phosphatase And Gtpase Activating Protein Sptp Bound To Rac1" 100.00 184 98.91 98.91 3.21e-129 PDB 1HE1 "Crystal Structure Of The Complex Between The Gap Domain Of The Pseudomonas Aeruginosa Exos Toxin And Human Rac" 95.63 176 100.00 100.00 3.75e-125 PDB 1HH4 "Rac1-Rhogdi Complex Involved In Nadph Oxidase Activation" 99.45 192 98.90 98.90 4.65e-128 PDB 1I4D "Crystal Structure Analysis Of Rac1-Gdp Complexed With Arfaptin (P21)" 100.00 192 99.45 99.45 1.50e-130 PDB 1I4L "Crystal Structure Analysis Of Rac1-Gdp In Complex With Arfaptin (P41)" 100.00 192 99.45 99.45 1.50e-130 PDB 1I4T "Crystal Structure Analysis Of Rac1-Gmppnp In Complex With Arfaptin" 100.00 192 98.91 98.91 2.96e-129 PDB 1MH1 "Small G-Protein" 99.45 186 98.90 98.90 4.07e-128 PDB 2FJU "Activated Rac1 Bound To Its Effector Phospholipase C Beta 2" 97.27 178 100.00 100.00 9.93e-128 PDB 2H7V "Co-crystal Structure Of Ypka-rac1" 100.00 188 98.91 98.91 1.98e-129 PDB 2NZ8 "N-Terminal Dhph Cassette Of Trio In Complex With Nucleotide- Free Rac1" 96.72 177 100.00 100.00 5.22e-127 PDB 2P2L "Rac1-gdp-zinc Complex" 100.00 188 98.91 98.91 1.98e-129 PDB 2RMK "Rac1PRK1 COMPLEX" 100.00 192 98.91 98.91 2.96e-129 PDB 2VRW "Critical Structural Role For The Ph And C1 Domains Of The Vav1 Exchange Factor" 100.00 184 99.45 99.45 1.87e-130 PDB 2YIN "Structure Of The Complex Between Dock2 And Rac1" 96.72 196 100.00 100.00 2.12e-127 PDB 3B13 "Crystal Structure Of The Dhr-2 Domain Of Dock2 In Complex With Rac1 (T17n Mutant)" 96.72 184 99.44 99.44 1.90e-126 PDB 3BJI "Structural Basis Of Promiscuous Guanine Nucleotide Exchange By The T-Cell Essential Vav1" 96.72 177 100.00 100.00 5.22e-127 PDB 3RYT "The Plexin A1 Intracellular Region In Complex With Rac1" 96.72 180 99.44 99.44 1.66e-125 PDB 3SBD "Crystal Structure Of Rac1 P29s Mutant" 96.17 187 99.43 99.43 4.32e-125 PDB 3SBE "Crystal Structure Of Rac1 P29s Mutant" 96.17 187 99.43 99.43 4.32e-125 PDB 3SU8 "Crystal Structure Of A Truncated Intracellular Domain Of Plexin-B1 In Complex With Rac1" 96.72 184 100.00 100.00 3.46e-127 PDB 3SUA "Crystal Structure Of The Intracellular Domain Of Plexin-B1 In Complex With Rac1" 96.72 184 100.00 100.00 3.46e-127 PDB 3TH5 "Crystal Structure Of Wild-Type Rac1" 96.17 204 100.00 100.00 2.97e-126 PDB 4GZL "Crystal Structure Of Rac1 Q61l Mutant" 96.17 204 99.43 99.43 5.09e-125 PDB 4GZM "Crystal Structure Of Rac1 F28l Mutant" 96.17 204 99.43 99.43 2.27e-125 DBJ BAB25667 "unnamed protein product [Mus musculus]" 100.00 192 98.91 99.45 6.91e-130 DBJ BAB26027 "unnamed protein product [Mus musculus]" 100.00 192 99.45 99.45 1.50e-130 DBJ BAB69451 "unnamed protein product [Mus musculus]" 100.00 192 99.45 99.45 1.50e-130 DBJ BAC16311 "Raichu-1011X [synthetic construct]" 96.17 763 100.00 100.00 2.94e-120 DBJ BAC28767 "unnamed protein product [Mus musculus]" 100.00 192 99.45 99.45 1.50e-130 EMBL CAA39801 "rac2 [Canis lupus familiaris]" 100.00 192 99.45 99.45 1.50e-130 EMBL CAA40545 "ras-related C3 botulinium toxin substrate [Mus musculus]" 100.00 192 99.45 99.45 1.50e-130 EMBL CAB53579 "Rac1 protein [Homo sapiens]" 100.00 192 99.45 99.45 1.50e-130 EMBL CAG04437 "unnamed protein product, partial [Tetraodon nigroviridis]" 100.00 192 97.81 97.81 4.17e-128 EMBL CAJ83626 "ras-related C3 botulinum toxin substrate 1 (rho family, small GTP binding protein Rac1) [Xenopus (Silurana) tropicalis]" 100.00 192 99.45 99.45 1.50e-130 GB AAA36537 "ras-related C3 botulinum toxin substrate [Homo sapiens]" 100.00 192 99.45 99.45 1.50e-130 GB AAA36544 "ras-like protein [Homo sapiens]" 100.00 191 99.45 99.45 2.03e-130 GB AAB22206 "rac1 p21=small GTP-binding protein [human, HL60, Peptide, 192 aa]" 100.00 192 99.45 99.45 1.50e-130 GB AAC18960 "GTPase cRac1A [Gallus gallus]" 100.00 192 99.45 99.45 1.50e-130 GB AAD50299 "rac GTPase [Xenopus laevis]" 100.00 192 99.45 99.45 1.60e-130 REF NP_001003274 "ras-related C3 botulinum toxin substrate 1 precursor [Canis lupus familiaris]" 100.00 192 99.45 99.45 1.50e-130 REF NP_001004840 "ras-related C3 botulinum toxin substrate 1 (rho family, small GTP binding protein Rac1) [Xenopus (Silurana) tropicalis]" 100.00 192 99.45 99.45 1.50e-130 REF NP_001034907 "uncharacterized protein LOC562838 [Danio rerio]" 100.00 192 98.36 98.36 1.27e-128 REF NP_001084224 "ras-related C3 botulinum toxin substrate 3 (rho family, small GTP binding protein Rac3) [Xenopus laevis]" 100.00 192 99.45 99.45 1.60e-130 REF NP_001089332 "ras-related C3 botulinum toxin substrate 1 (rho family, small GTP binding protein Rac1) [Xenopus laevis]" 100.00 192 99.45 99.45 1.99e-130 SP P62998 "RecName: Full=Ras-related C3 botulinum toxin substrate 1; AltName: Full=p21-Rac1; Flags: Precursor [Bos taurus]" 100.00 192 99.45 99.45 1.50e-130 SP P62999 "RecName: Full=Ras-related C3 botulinum toxin substrate 1; AltName: Full=Rac2; AltName: Full=p21-Rac1; Flags: Precursor [Canis l" 100.00 192 99.45 99.45 1.50e-130 SP P63000 "RecName: Full=Ras-related C3 botulinum toxin substrate 1; AltName: Full=Cell migration-inducing gene 5 protein; AltName: Full=R" 100.00 192 99.45 99.45 1.50e-130 SP P63001 "RecName: Full=Ras-related C3 botulinum toxin substrate 1; AltName: Full=p21-Rac1; Flags: Precursor [Mus musculus]" 100.00 192 99.45 99.45 1.50e-130 SP Q6RUV5 "RecName: Full=Ras-related C3 botulinum toxin substrate 1; AltName: Full=p21-Rac1; Flags: Precursor [Rattus norvegicus]" 100.00 192 99.45 99.45 1.50e-130 TPG DAA15019 "TPA: ras-related C3 botulinum toxin substrate 1 precursor [Bos taurus]" 98.91 181 99.45 99.45 4.53e-129 stop_ save_ ############# # Ligands # ############# save_GTP _Saveframe_category ligand _Mol_type "non-polymer (RNA LINKING)" _Name_common "GTP (GUANOSINE-5'-TRIPHOSPHATE)" _BMRB_code . _PDB_code GTP _Molecular_mass 523.180 _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 Thu Sep 15 00:08:47 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 . ? O3B O3B O . 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 . ? HOB2 HOB2 H . 0 . ? HOA2 HOA2 H . 0 . ? H5' H5' H . 0 . ? H5'' H5'' 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 O3B ? ? SING O2G HOG2 ? ? SING O3G HOG3 ? ? SING O3B PB ? ? 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' ? ? SING C5' H5'' ? ? 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 Thu Sep 15 00:10:18 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 $Rac1 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 $Rac1 'recombinant technology' E.Coli . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; The sample is uniformly labeled with 15N and 13C ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Rac1 0.6 mM '[U-15N; U-13C]' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name NMRView _Version 5.2.2 loop_ _Task 'Spectral analysis' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 2.3 loop_ _Task 'Data processing' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N_HSQC _Sample_label $sample_1 save_ save_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label $sample_1 save_ save_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label $sample_1 save_ save_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_1 save_ save_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_1 save_ save_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label $sample_1 save_ save_CC(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name CC(CO)NH _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.8 0.2 pH temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $citation1 $citation1 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $citation1 $citation1 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $citation1 $citation1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_1 stop_ loop_ _Experiment_label 1H15N_HSQC HNCA HN(CO)CA HNCO HNCACB CBCA(CO)NH CC(CO)NH stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name Rac1 _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 175.40 0.10 1 2 1 1 MET CA C 56.50 0.20 1 3 1 1 MET CB C 33.30 0.20 1 4 2 2 GLN H H 8.39 0.02 1 5 2 2 GLN C C 174.40 0.10 1 6 2 2 GLN CA C 56.20 0.20 1 7 2 2 GLN CB C 29.90 0.20 1 8 2 2 GLN CG C 34.30 0.28 1 9 2 2 GLN N N 122.01 0.04 1 10 3 3 ALA H H 8.05 0.02 1 11 3 3 ALA CA C 51.20 0.20 1 12 3 3 ALA CB C 20.50 0.20 1 13 3 3 ALA N N 125.44 0.04 1 14 4 4 ILE C C 173.90 0.10 1 15 4 4 ILE CA C 59.70 0.20 1 16 4 4 ILE CB C 33.00 0.20 1 17 4 4 ILE CG1 C 26.20 0.28 1 18 4 4 ILE CG2 C 17.80 0.28 1 19 4 4 ILE CD1 C 15.30 0.28 1 20 5 5 LYS H H 10.44 0.02 1 21 5 5 LYS C C 174.30 0.10 1 22 5 5 LYS CA C 55.80 0.20 1 23 5 5 LYS CB C 28.80 0.20 1 24 5 5 LYS CG C 26.20 0.28 1 25 5 5 LYS CD C 29.40 0.28 1 26 5 5 LYS N N 131.64 0.04 1 27 6 6 CYS H H 9.29 0.02 1 28 6 6 CYS C C 172.40 0.10 1 29 6 6 CYS CA C 55.80 0.20 1 30 6 6 CYS CB C 33.60 0.20 1 31 6 6 CYS N N 131.46 0.04 1 32 7 7 VAL H H 7.49 0.02 1 33 7 7 VAL C C 173.80 0.10 1 34 7 7 VAL CA C 60.90 0.20 1 35 7 7 VAL CB C 33.30 0.20 1 36 7 7 VAL CG1 C 21.60 0.28 2 37 7 7 VAL CG2 C 21.60 0.28 2 38 7 7 VAL N N 129.23 0.04 1 39 8 8 VAL H H 8.20 0.02 1 40 8 8 VAL C C 174.40 0.10 1 41 8 8 VAL CA C 60.90 0.20 1 42 8 8 VAL CB C 35.30 0.20 1 43 8 8 VAL CG1 C 22.40 0.28 2 44 8 8 VAL CG2 C 22.40 0.28 2 45 8 8 VAL N N 126.37 0.04 1 46 9 9 VAL H H 8.69 0.02 1 47 9 9 VAL C C 173.70 0.10 1 48 9 9 VAL CA C 58.40 0.20 1 49 9 9 VAL N N 116.98 0.04 1 50 10 10 GLY H H 6.63 0.02 1 51 10 10 GLY C C 172.40 0.10 1 52 10 10 GLY CA C 43.30 0.20 1 53 10 10 GLY N N 107.50 0.04 1 54 11 11 ASP H H 8.30 0.02 1 55 11 11 ASP C C 177.10 0.10 1 56 11 11 ASP CA C 55.90 0.20 1 57 11 11 ASP CB C 41.20 0.20 1 58 11 11 ASP N N 118.53 0.04 1 59 12 12 GLY H H 8.59 0.02 1 60 12 12 GLY C C 175.00 0.10 1 61 12 12 GLY CA C 46.80 0.20 1 62 12 12 GLY N N 105.64 0.04 1 63 13 13 ALA H H 9.35 0.02 1 64 13 13 ALA CA C 53.40 0.20 1 65 13 13 ALA N N 123.11 0.04 1 66 14 14 VAL C C 174.30 0.10 1 67 14 14 VAL CG1 C 19.00 0.28 2 68 14 14 VAL CG2 C 19.00 0.28 2 69 15 15 GLY H H 8.41 0.02 1 70 15 15 GLY CA C 44.70 0.20 1 71 15 15 GLY N N 108.15 0.04 1 72 16 16 LYS H H 9.34 0.02 1 73 16 16 LYS CA C 60.70 0.20 1 74 16 16 LYS N N 125.76 0.04 1 75 17 17 THR H H 9.15 0.02 1 76 17 17 THR CA C 66.90 0.20 1 77 17 17 THR CB C 67.70 0.20 1 78 17 17 THR N N 119.06 0.04 1 79 19 19 LEU C C 176.80 0.10 1 80 19 19 LEU CB C 45.40 0.20 1 81 19 19 LEU CG C 29.70 0.28 1 82 19 19 LEU CD1 C 27.10 0.28 2 83 19 19 LEU CD2 C 27.10 0.28 2 84 20 20 LEU H H 8.01 0.02 1 85 20 20 LEU CA C 59.40 0.20 1 86 20 20 LEU CB C 42.30 0.20 1 87 20 20 LEU N N 121.82 0.04 1 88 21 21 ILE C C 179.50 0.10 1 89 21 21 ILE CA C 65.30 0.20 1 90 22 22 SER H H 8.81 0.02 1 91 22 22 SER C C 177.20 0.10 1 92 22 22 SER CA C 61.40 0.20 1 93 22 22 SER CB C 64.00 0.20 1 94 22 22 SER N N 110.24 0.04 1 95 23 23 TYR H H 7.83 0.02 1 96 23 23 TYR C C 177.10 0.10 1 97 23 23 TYR CA C 60.70 0.20 1 98 23 23 TYR CB C 42.40 0.20 1 99 23 23 TYR N N 117.31 0.04 1 100 24 24 THR H H 7.63 0.02 1 101 24 24 THR C C 176.70 0.10 1 102 24 24 THR CA C 64.30 0.20 1 103 24 24 THR CB C 70.30 0.20 1 104 24 24 THR CG2 C 23.30 0.28 1 105 24 24 THR N N 105.51 0.04 1 106 25 25 THR H H 8.07 0.02 1 107 25 25 THR C C 175.20 0.10 1 108 25 25 THR CA C 62.00 0.20 1 109 25 25 THR CB C 71.80 0.20 1 110 25 25 THR CG2 C 20.30 0.28 1 111 25 25 THR N N 110.10 0.04 1 112 26 26 ASN H H 7.55 0.02 1 113 26 26 ASN C C 173.00 0.10 1 114 26 26 ASN CA C 55.10 0.20 1 115 26 26 ASN CB C 38.00 0.20 1 116 26 26 ASN N N 116.43 0.04 1 117 27 27 ALA H H 7.60 0.02 1 118 27 27 ALA C C 176.50 0.10 1 119 27 27 ALA CA C 51.30 0.20 1 120 27 27 ALA CB C 20.90 0.20 1 121 27 27 ALA N N 120.81 0.04 1 122 28 28 PHE H H 8.39 0.02 1 123 28 28 PHE C C 171.40 0.10 1 124 28 28 PHE CA C 59.70 0.20 1 125 28 28 PHE CB C 41.60 0.20 1 126 28 28 PHE N N 121.62 0.04 1 127 29 29 PRO CA C 62.80 0.20 1 128 29 29 PRO CB C 31.90 0.20 1 129 30 30 GLY H H 7.88 0.02 1 130 30 30 GLY CA C 43.30 0.20 1 131 30 30 GLY N N 120.90 0.04 1 132 31 31 GLU C C 176.40 0.10 1 133 31 31 GLU CA C 60.70 0.20 1 134 31 31 GLU CB C 31.50 0.20 1 135 31 31 GLU CG C 37.10 0.28 1 136 32 32 TYR H H 9.03 0.02 1 137 32 32 TYR CA C 61.90 0.20 1 138 32 32 TYR CB C 36.40 0.20 1 139 32 32 TYR N N 117.54 0.04 1 140 37 37 PHE C C 176.20 0.10 1 141 37 37 PHE CA C 58.00 0.20 1 142 37 37 PHE CB C 45.30 0.20 1 143 38 38 ASP H H 8.10 0.02 1 144 38 38 ASP C C 178.30 0.10 1 145 38 38 ASP CA C 58.10 0.20 1 146 38 38 ASP CB C 37.70 0.20 1 147 38 38 ASP N N 122.97 0.04 1 148 39 39 ASN H H 8.53 0.02 1 149 39 39 ASN C C 177.00 0.10 1 150 39 39 ASN CA C 55.70 0.20 1 151 39 39 ASN CB C 39.60 0.20 1 152 39 39 ASN N N 117.91 0.04 1 153 40 40 TYR H H 7.72 0.02 1 154 40 40 TYR CA C 58.20 0.20 1 155 40 40 TYR CB C 40.50 0.20 1 156 40 40 TYR N N 116.43 0.04 1 157 42 42 ALA C C 174.90 0.10 1 158 42 42 ALA CA C 50.90 0.20 1 159 42 42 ALA CB C 22.10 0.20 1 160 43 43 ASN H H 8.60 0.02 1 161 43 43 ASN C C 174.40 0.10 1 162 43 43 ASN CA C 52.80 0.20 1 163 43 43 ASN CB C 39.50 0.20 1 164 43 43 ASN N N 121.60 0.04 1 165 44 44 VAL H H 8.80 0.02 1 166 44 44 VAL C C 174.20 0.10 1 167 44 44 VAL CA C 60.30 0.20 1 168 44 44 VAL CB C 35.60 0.20 1 169 44 44 VAL CG1 C 21.60 0.28 2 170 44 44 VAL CG2 C 21.60 0.28 2 171 44 44 VAL N N 122.98 0.04 1 172 45 45 MET H H 8.38 0.02 1 173 45 45 MET C C 176.00 0.10 1 174 45 45 MET CA C 53.80 0.20 1 175 45 45 MET CB C 32.60 0.20 1 176 45 45 MET N N 123.65 0.04 1 177 46 46 VAL H H 8.77 0.02 1 178 46 46 VAL C C 175.20 0.10 1 179 46 46 VAL CA C 61.60 0.20 1 180 46 46 VAL CB C 34.10 0.20 1 181 46 46 VAL CG1 C 22.10 0.28 2 182 46 46 VAL CG2 C 22.10 0.28 2 183 46 46 VAL N N 126.22 0.04 1 184 47 47 ASP H H 9.25 0.02 1 185 47 47 ASP C C 176.10 0.10 1 186 47 47 ASP CA C 55.40 0.20 1 187 47 47 ASP CB C 39.20 0.20 1 188 47 47 ASP N N 127.74 0.04 1 189 48 48 GLY H H 8.44 0.02 1 190 48 48 GLY C C 173.70 0.10 1 191 48 48 GLY CA C 45.20 0.20 1 192 48 48 GLY N N 102.14 0.04 1 193 49 49 LYS H H 7.89 0.02 1 194 49 49 LYS CA C 52.50 0.20 1 195 49 49 LYS CB C 33.50 0.20 1 196 49 49 LYS N N 122.01 0.04 1 197 50 50 PRO C C 177.00 0.10 1 198 50 50 PRO CA C 62.50 0.20 1 199 50 50 PRO CB C 31.90 0.20 1 200 50 50 PRO CG C 27.40 0.28 1 201 50 50 PRO CD C 48.00 0.28 1 202 51 51 VAL H H 9.04 0.02 1 203 51 51 VAL C C 174.30 0.10 1 204 51 51 VAL CA C 60.90 0.20 1 205 51 51 VAL CB C 35.60 0.20 1 206 51 51 VAL CG1 C 21.30 0.28 2 207 51 51 VAL CG2 C 21.30 0.28 2 208 51 51 VAL N N 123.42 0.04 1 209 52 52 ASN H H 8.51 0.02 1 210 52 52 ASN C C 173.10 0.10 1 211 52 52 ASN CA C 52.60 0.20 1 212 52 52 ASN CB C 39.70 0.20 1 213 52 52 ASN N N 124.43 0.04 1 214 53 53 LEU H H 9.12 0.02 1 215 53 53 LEU C C 174.00 0.10 1 216 53 53 LEU CA C 54.00 0.20 1 217 53 53 LEU CB C 44.10 0.20 1 218 53 53 LEU CG C 28.50 0.28 1 219 53 53 LEU CD1 C 26.80 0.28 2 220 53 53 LEU CD2 C 26.80 0.28 2 221 53 53 LEU N N 129.47 0.04 1 222 54 54 GLY H H 9.49 0.02 1 223 54 54 GLY C C 172.50 0.10 1 224 54 54 GLY CA C 45.20 0.20 1 225 54 54 GLY N N 116.83 0.04 1 226 55 55 LEU H H 8.75 0.02 1 227 55 55 LEU CA C 53.70 0.20 1 228 55 55 LEU CB C 44.40 0.20 1 229 55 55 LEU N N 126.00 0.04 1 230 60 60 GLY C C 177.30 0.10 1 231 60 60 GLY CA C 46.20 0.20 1 232 61 61 GLN H H 8.28 0.02 1 233 61 61 GLN CA C 55.00 0.20 1 234 61 61 GLN CB C 33.00 0.20 1 235 61 61 GLN N N 120.68 0.04 1 236 63 63 ASP C C 177.40 0.10 1 237 63 63 ASP CA C 57.40 0.20 1 238 63 63 ASP CB C 45.40 0.20 1 239 64 64 TYR H H 7.82 0.02 1 240 64 64 TYR CA C 60.70 0.20 1 241 64 64 TYR CB C 42.20 0.20 1 242 64 64 TYR N N 121.01 0.04 1 243 69 69 PRO C C 178.40 0.10 1 244 69 69 PRO CA C 63.60 0.20 1 245 69 69 PRO CB C 30.00 0.20 1 246 70 70 LEU H H 7.44 0.02 1 247 70 70 LEU C C 179.20 0.10 1 248 70 70 LEU CA C 57.10 0.20 1 249 70 70 LEU CB C 40.30 0.20 1 250 70 70 LEU CG C 25.50 0.28 1 251 70 70 LEU N N 118.86 0.04 1 252 71 71 SER H H 7.84 0.02 1 253 71 71 SER C C 174.20 0.10 1 254 71 71 SER CA C 60.20 0.20 1 255 71 71 SER CB C 63.80 0.20 1 256 71 71 SER N N 112.10 0.04 1 257 72 72 TYR H H 7.16 0.02 1 258 72 72 TYR CA C 56.20 0.20 1 259 72 72 TYR N N 120.16 0.04 1 260 73 73 PRO C C 176.10 0.10 1 261 73 73 PRO CA C 66.00 0.20 1 262 73 73 PRO CB C 33.90 0.20 1 263 73 73 PRO CG C 28.90 0.28 1 264 73 73 PRO CD C 51.90 0.28 1 265 74 74 GLN H H 8.90 0.02 1 266 74 74 GLN C C 175.00 0.10 1 267 74 74 GLN CA C 57.20 0.20 1 268 74 74 GLN CB C 25.80 0.20 1 269 74 74 GLN CG C 34.70 0.28 1 270 74 74 GLN N N 114.77 0.04 1 271 75 75 THR H H 7.35 0.02 1 272 75 75 THR CA C 67.00 0.20 1 273 75 75 THR CB C 67.70 0.20 1 274 75 75 THR CG2 C 19.30 0.28 1 275 75 75 THR N N 117.15 0.04 1 276 76 76 ASP H H 8.76 0.02 1 277 76 76 ASP C C 174.60 0.10 1 278 76 76 ASP CA C 56.30 0.20 1 279 76 76 ASP CB C 44.10 0.20 1 280 76 76 ASP N N 124.12 0.04 1 281 77 77 VAL H H 7.37 0.02 1 282 77 77 VAL C C 171.10 0.10 1 283 77 77 VAL CA C 60.30 0.20 1 284 77 77 VAL CB C 32.70 0.20 1 285 77 77 VAL CG1 C 20.10 0.28 2 286 77 77 VAL CG2 C 20.10 0.28 2 287 77 77 VAL N N 116.52 0.04 1 288 78 78 PHE H H 8.48 0.02 1 289 78 78 PHE C C 175.70 0.10 1 290 78 78 PHE CA C 57.10 0.20 1 291 78 78 PHE CB C 43.20 0.20 1 292 78 78 PHE N N 123.43 0.04 1 293 79 79 LEU H H 8.81 0.02 1 294 79 79 LEU C C 176.40 0.10 1 295 79 79 LEU CA C 53.20 0.20 1 296 79 79 LEU CB C 41.50 0.20 1 297 79 79 LEU CG C 25.50 0.28 1 298 79 79 LEU CD1 C 24.00 0.28 2 299 79 79 LEU CD2 C 24.00 0.28 2 300 79 79 LEU N N 119.23 0.04 1 301 80 80 ILE H H 8.54 0.02 1 302 80 80 ILE C C 174.80 0.10 1 303 80 80 ILE CA C 61.10 0.20 1 304 80 80 ILE CB C 38.20 0.20 1 305 80 80 ILE N N 121.87 0.04 1 306 81 81 CYS H H 8.89 0.02 1 307 81 81 CYS C C 174.10 0.10 1 308 81 81 CYS CA C 56.90 0.20 1 309 81 81 CYS CB C 30.40 0.20 1 310 81 81 CYS N N 123.94 0.04 1 311 82 82 PHE H H 8.85 0.02 1 312 82 82 PHE CA C 56.40 0.20 1 313 82 82 PHE CB C 40.70 0.20 1 314 82 82 PHE N N 118.46 0.04 1 315 83 83 SER C C 177.00 0.10 1 316 83 83 SER CA C 54.50 0.20 1 317 83 83 SER CB C 64.20 0.20 1 318 84 84 LEU H H 8.86 0.02 1 319 84 84 LEU C C 176.60 0.10 1 320 84 84 LEU CA C 57.50 0.20 1 321 84 84 LEU CB C 42.80 0.20 1 322 84 84 LEU N N 128.64 0.04 1 323 85 85 VAL H H 7.35 0.02 1 324 85 85 VAL C C 173.70 0.10 1 325 85 85 VAL CA C 59.20 0.20 1 326 85 85 VAL CB C 30.00 0.20 1 327 85 85 VAL CG1 C 21.20 0.28 2 328 85 85 VAL CG2 C 21.20 0.28 2 329 85 85 VAL N N 103.19 0.04 1 330 86 86 SER H H 7.69 0.02 1 331 86 86 SER CA C 53.90 0.20 1 332 86 86 SER CB C 63.00 0.20 1 333 86 86 SER N N 112.16 0.04 1 334 88 88 ALA C C 180.00 0.10 1 335 88 88 ALA CA C 52.70 0.20 1 336 88 88 ALA CB C 18.00 0.20 1 337 89 89 SER H H 7.98 0.02 1 338 89 89 SER C C 176.30 0.10 1 339 89 89 SER CA C 61.30 0.20 1 340 89 89 SER CB C 64.00 0.20 1 341 89 89 SER N N 115.53 0.04 1 342 90 90 PHE H H 7.42 0.02 1 343 90 90 PHE C C 177.40 0.10 1 344 90 90 PHE CA C 59.30 0.20 1 345 90 90 PHE CB C 39.30 0.20 1 346 90 90 PHE N N 125.56 0.04 1 347 91 91 GLU H H 8.13 0.02 1 348 91 91 GLU C C 180.10 0.10 1 349 91 91 GLU CA C 58.80 0.20 1 350 91 91 GLU CB C 28.40 0.20 1 351 91 91 GLU CG C 35.60 0.28 1 352 91 91 GLU N N 119.42 0.04 1 353 92 92 ASN H H 7.88 0.02 1 354 92 92 ASN C C 178.50 0.10 1 355 92 92 ASN CA C 54.50 0.20 1 356 92 92 ASN CB C 38.20 0.20 1 357 92 92 ASN N N 114.81 0.04 1 358 93 93 VAL H H 8.05 0.02 1 359 93 93 VAL C C 175.20 0.10 1 360 93 93 VAL CA C 68.60 0.20 1 361 93 93 VAL CB C 30.80 0.20 1 362 93 93 VAL N N 125.03 0.04 1 363 94 94 ARG H H 6.35 0.02 1 364 94 94 ARG C C 176.90 0.10 1 365 94 94 ARG CA C 58.10 0.20 1 366 94 94 ARG CB C 30.50 0.20 1 367 94 94 ARG CG C 27.30 0.28 1 368 94 94 ARG N N 115.31 0.04 1 369 95 95 ALA H H 7.80 0.02 1 370 95 95 ALA C C 177.40 0.10 1 371 95 95 ALA CA C 54.00 0.20 1 372 95 95 ALA CB C 19.90 0.20 1 373 95 95 ALA N N 117.48 0.04 1 374 96 96 LYS H H 7.98 0.02 1 375 96 96 LYS C C 178.00 0.10 1 376 96 96 LYS CA C 57.50 0.20 1 377 96 96 LYS CB C 35.40 0.20 1 378 96 96 LYS N N 115.04 0.04 1 379 97 97 TRP H H 9.06 0.02 1 380 97 97 TRP CA C 58.10 0.20 1 381 97 97 TRP CB C 29.00 0.20 1 382 97 97 TRP N N 122.65 0.04 1 383 99 99 PRO C C 178.90 0.10 1 384 99 99 PRO CA C 65.70 0.20 1 385 99 99 PRO CB C 30.20 0.20 1 386 99 99 PRO CG C 28.00 0.28 1 387 99 99 PRO CD C 48.80 0.28 1 388 100 100 GLU H H 7.54 0.02 1 389 100 100 GLU C C 178.20 0.10 1 390 100 100 GLU CA C 60.70 0.20 1 391 100 100 GLU CB C 29.90 0.20 1 392 100 100 GLU CG C 37.80 0.28 1 393 100 100 GLU N N 118.27 0.04 1 394 101 101 VAL H H 8.31 0.02 1 395 101 101 VAL C C 178.30 0.10 1 396 101 101 VAL CA C 66.60 0.20 1 397 101 101 VAL CB C 30.50 0.20 1 398 101 101 VAL CG1 C 20.50 0.28 2 399 101 101 VAL CG2 C 20.50 0.28 2 400 101 101 VAL N N 116.95 0.04 1 401 102 102 ARG H H 7.94 0.02 1 402 102 102 ARG C C 177.60 0.10 1 403 102 102 ARG CA C 57.20 0.20 1 404 102 102 ARG CB C 28.40 0.20 1 405 102 102 ARG CG C 25.40 0.28 1 406 102 102 ARG CD C 45.40 0.28 1 407 102 102 ARG N N 116.59 0.04 1 408 103 103 HIS H H 7.71 0.02 1 409 103 103 HIS C C 176.10 0.10 1 410 103 103 HIS CA C 58.90 0.20 1 411 103 103 HIS CB C 29.60 0.20 1 412 103 103 HIS N N 117.76 0.04 1 413 104 104 HIS H H 6.90 0.02 1 414 104 104 HIS C C 176.80 0.10 1 415 104 104 HIS CA C 58.90 0.20 1 416 104 104 HIS CB C 34.00 0.20 1 417 104 104 HIS N N 113.90 0.04 1 418 105 105 CYS H H 8.76 0.02 1 419 105 105 CYS CA C 56.40 0.20 1 420 105 105 CYS CB C 28.80 0.20 1 421 105 105 CYS N N 118.22 0.04 1 422 106 106 PRO C C 177.00 0.10 1 423 106 106 PRO CA C 65.10 0.20 1 424 106 106 PRO CB C 32.50 0.20 1 425 106 106 PRO CG C 27.00 0.28 1 426 106 106 PRO CD C 53.30 0.28 1 427 107 107 ASN H H 8.67 0.02 1 428 107 107 ASN C C 175.20 0.10 1 429 107 107 ASN CA C 52.70 0.20 1 430 107 107 ASN CB C 39.90 0.20 1 431 107 107 ASN N N 112.46 0.04 1 432 108 108 THR H H 6.98 0.02 1 433 108 108 THR CA C 62.10 0.20 1 434 108 108 THR CB C 70.70 0.20 1 435 108 108 THR N N 119.98 0.04 1 436 109 109 PRO C C 174.40 0.10 1 437 109 109 PRO CA C 63.50 0.20 1 438 109 109 PRO CB C 33.00 0.20 1 439 109 109 PRO CG C 27.60 0.28 1 440 109 109 PRO CD C 52.40 0.28 1 441 110 110 ILE H H 8.57 0.02 1 442 110 110 ILE C C 175.00 0.10 1 443 110 110 ILE CA C 59.70 0.20 1 444 110 110 ILE CB C 43.70 0.20 1 445 110 110 ILE CG1 C 26.30 0.28 1 446 110 110 ILE CG2 C 19.95 0.28 1 447 110 110 ILE CD1 C 14.40 0.28 1 448 110 110 ILE N N 119.33 0.04 1 449 111 111 ILE H H 8.98 0.02 1 450 111 111 ILE C C 174.10 0.10 1 451 111 111 ILE CA C 59.40 0.20 1 452 111 111 ILE CB C 38.60 0.20 1 453 111 111 ILE CG1 C 27.90 0.28 1 454 111 111 ILE CG2 C 16.80 0.28 1 455 111 111 ILE CD1 C 12.40 0.28 1 456 111 111 ILE N N 126.62 0.04 1 457 112 112 LEU H H 8.31 0.02 1 458 112 112 LEU C C 173.30 0.10 1 459 112 112 LEU CA C 53.50 0.20 1 460 112 112 LEU CB C 44.80 0.20 1 461 112 112 LEU N N 129.76 0.04 1 462 113 113 VAL H H 9.24 0.02 1 463 113 113 VAL C C 174.50 0.10 1 464 113 113 VAL CA C 60.30 0.20 1 465 113 113 VAL CB C 34.90 0.20 1 466 113 113 VAL CG1 C 22.40 0.28 2 467 113 113 VAL CG2 C 22.40 0.28 2 468 113 113 VAL N N 128.09 0.04 1 469 114 114 GLY H H 8.83 0.02 1 470 114 114 GLY C C 173.00 0.10 1 471 114 114 GLY CA C 44.50 0.20 1 472 114 114 GLY N N 114.23 0.04 1 473 115 115 THR H H 9.16 0.02 1 474 115 115 THR C C 175.30 0.10 1 475 115 115 THR CA C 60.00 0.20 1 476 115 115 THR CB C 70.30 0.20 1 477 115 115 THR CG2 C 24.00 0.28 1 478 115 115 THR N N 116.70 0.04 1 479 116 116 LYS H H 9.09 0.02 1 480 116 116 LYS C C 178.10 0.10 1 481 116 116 LYS CA C 57.10 0.20 1 482 116 116 LYS CB C 28.90 0.20 1 483 116 116 LYS CG C 24.70 0.28 1 484 116 116 LYS CD C 29.30 0.28 1 485 116 116 LYS N N 108.63 0.04 1 486 117 117 LEU H H 8.28 0.02 1 487 117 117 LEU C C 177.60 0.10 1 488 117 117 LEU CA C 58.00 0.20 1 489 117 117 LEU CB C 42.90 0.20 1 490 117 117 LEU CG C 28.50 0.28 1 491 117 117 LEU CD1 C 26.40 0.28 2 492 117 117 LEU CD2 C 26.40 0.28 2 493 117 117 LEU N N 115.99 0.04 1 494 118 118 ASP H H 8.49 0.02 1 495 118 118 ASP C C 175.90 0.10 1 496 118 118 ASP CA C 55.50 0.20 1 497 118 118 ASP CB C 40.60 0.20 1 498 118 118 ASP N N 112.61 0.04 1 499 119 119 LEU H H 7.82 0.02 1 500 119 119 LEU C C 178.10 0.10 1 501 119 119 LEU CA C 54.60 0.20 1 502 119 119 LEU CB C 42.50 0.20 1 503 119 119 LEU CG C 26.30 0.28 1 504 119 119 LEU N N 116.90 0.04 1 505 120 120 ARG H H 7.16 0.02 1 506 120 120 ARG C C 174.20 0.10 1 507 120 120 ARG CA C 60.40 0.20 1 508 120 120 ARG CB C 30.20 0.20 1 509 120 120 ARG CG C 27.40 0.28 1 510 120 120 ARG CD C 40.80 0.28 1 511 120 120 ARG N N 118.83 0.04 1 512 121 121 ASP H H 7.23 0.02 1 513 121 121 ASP C C 175.50 0.10 1 514 121 121 ASP CA C 52.60 0.20 1 515 121 121 ASP CB C 41.10 0.20 1 516 121 121 ASP N N 112.05 0.04 1 517 122 122 ASP H H 7.15 0.02 1 518 122 122 ASP C C 175.00 0.10 1 519 122 122 ASP CA C 54.00 0.20 1 520 122 122 ASP CB C 43.70 0.20 1 521 122 122 ASP N N 122.00 0.04 1 522 123 123 LYS H H 8.79 0.02 1 523 123 123 LYS C C 178.10 0.10 1 524 123 123 LYS CA C 60.50 0.20 1 525 123 123 LYS CB C 32.20 0.20 1 526 123 123 LYS CG C 24.50 0.28 1 527 123 123 LYS CD C 29.30 0.28 1 528 123 123 LYS N N 129.65 0.04 1 529 124 124 ASP H H 8.44 0.02 1 530 124 124 ASP C C 178.60 0.10 1 531 124 124 ASP CA C 57.90 0.20 1 532 124 124 ASP CB C 40.40 0.20 1 533 124 124 ASP N N 118.40 0.04 1 534 125 125 THR H H 7.98 0.02 1 535 125 125 THR C C 176.50 0.10 1 536 125 125 THR CA C 67.90 0.20 1 537 125 125 THR CG2 C 21.00 0.20 1 538 125 125 THR N N 118.78 0.04 1 539 126 126 ILE H H 8.45 0.02 1 540 126 126 ILE C C 179.30 0.10 1 541 126 126 ILE CA C 65.80 0.20 1 542 126 126 ILE CB C 37.60 0.20 1 543 126 126 ILE N N 122.19 0.04 1 544 127 127 GLU H H 8.38 0.02 1 545 127 127 GLU C C 179.10 0.10 1 546 127 127 GLU CA C 59.60 0.20 1 547 127 127 GLU CB C 29.10 0.20 1 548 127 127 GLU CG C 36.30 0.28 1 549 127 127 GLU N N 120.57 0.04 1 550 128 128 LYS H H 8.01 0.02 1 551 128 128 LYS C C 180.50 0.10 1 552 128 128 LYS CA C 59.30 0.20 1 553 128 128 LYS CB C 32.00 0.20 1 554 128 128 LYS CG C 25.50 0.28 1 555 128 128 LYS CD C 29.00 0.28 1 556 128 128 LYS N N 120.91 0.04 1 557 129 129 LEU H H 8.13 0.02 1 558 129 129 LEU C C 179.70 0.10 1 559 129 129 LEU CA C 58.20 0.20 1 560 129 129 LEU CB C 41.50 0.20 1 561 129 129 LEU CG C 27.50 0.28 1 562 129 129 LEU CD1 C 25.50 0.28 2 563 129 129 LEU CD2 C 25.50 0.28 2 564 129 129 LEU N N 120.05 0.04 1 565 130 130 LYS H H 8.33 0.02 1 566 130 130 LYS C C 180.90 0.10 1 567 130 130 LYS CA C 59.90 0.20 1 568 130 130 LYS CB C 32.20 0.20 1 569 130 130 LYS CG C 25.20 0.28 1 570 130 130 LYS CD C 29.40 0.28 1 571 130 130 LYS N N 121.55 0.04 1 572 131 131 GLU H H 7.75 0.02 1 573 131 131 GLU C C 177.70 0.10 1 574 131 131 GLU CA C 59.20 0.20 1 575 131 131 GLU CB C 29.60 0.20 1 576 131 131 GLU CG C 36.40 0.28 1 577 131 131 GLU N N 120.68 0.04 1 578 132 132 LYS H H 7.23 0.02 1 579 132 132 LYS C C 174.60 0.10 1 580 132 132 LYS CA C 54.90 0.20 1 581 132 132 LYS CB C 32.70 0.20 1 582 132 132 LYS CG C 24.80 0.28 1 583 132 132 LYS CD C 29.10 0.28 1 584 132 132 LYS N N 116.92 0.04 1 585 133 133 LYS H H 8.05 0.02 1 586 133 133 LYS C C 175.30 0.10 1 587 133 133 LYS CA C 57.30 0.20 1 588 133 133 LYS CB C 28.40 0.20 1 589 133 133 LYS CG C 25.20 0.28 1 590 133 133 LYS CD C 28.90 0.28 1 591 133 133 LYS N N 114.27 0.04 1 592 134 134 LEU H H 7.91 0.02 1 593 134 134 LEU C C 176.30 0.10 1 594 134 134 LEU CA C 52.90 0.20 1 595 134 134 LEU CB C 46.50 0.20 1 596 134 134 LEU N N 118.10 0.04 1 597 135 135 THR H H 7.78 0.02 1 598 135 135 THR CA C 59.00 0.20 1 599 135 135 THR CB C 70.60 0.20 1 600 135 135 THR N N 113.01 0.04 1 601 136 136 PRO C C 175.10 0.10 1 602 136 136 PRO CA C 62.60 0.20 1 603 136 136 PRO CB C 32.60 0.20 1 604 137 137 ILE H H 8.67 0.02 1 605 137 137 ILE C C 175.70 0.10 1 606 137 137 ILE CA C 59.60 0.20 1 607 137 137 ILE CB C 36.20 0.20 1 608 137 137 ILE CG1 C 27.10 0.28 1 609 137 137 ILE CG2 C 19.50 0.28 1 610 137 137 ILE CD1 C 16.80 0.28 1 611 137 137 ILE N N 122.92 0.04 1 612 138 138 THR H H 7.84 0.02 1 613 138 138 THR C C 174.20 0.10 1 614 138 138 THR CA C 60.50 0.20 1 615 138 138 THR CB C 71.20 0.20 1 616 138 138 THR N N 116.70 0.04 1 617 139 139 TYR H H 9.06 0.02 1 618 139 139 TYR CA C 62.70 0.20 1 619 139 139 TYR CB C 35.70 0.20 1 620 139 139 TYR N N 121.40 0.04 1 621 140 140 PRO C C 180.20 0.10 1 622 140 140 PRO CA C 65.90 0.20 1 623 140 140 PRO CB C 30.80 0.20 1 624 140 140 PRO CG C 28.30 0.28 1 625 141 141 GLN H H 7.16 0.02 1 626 141 141 GLN C C 179.40 0.10 1 627 141 141 GLN CA C 58.90 0.20 1 628 141 141 GLN CB C 29.20 0.20 1 629 141 141 GLN CG C 35.00 0.28 1 630 141 141 GLN N N 117.48 0.04 1 631 142 142 GLY H H 8.08 0.02 1 632 142 142 GLY C C 174.80 0.10 1 633 142 142 GLY CA C 46.50 0.20 1 634 142 142 GLY N N 110.86 0.04 1 635 143 143 LEU H H 7.81 0.02 1 636 143 143 LEU C C 179.40 0.10 1 637 143 143 LEU CA C 57.30 0.20 1 638 143 143 LEU CB C 42.10 0.20 1 639 143 143 LEU CG C 25.90 0.28 1 640 143 143 LEU CD1 C 24.40 0.28 2 641 143 143 LEU CD2 C 24.40 0.28 2 642 143 143 LEU N N 121.20 0.04 1 643 144 144 ALA H H 7.51 0.02 1 644 144 144 ALA C C 180.90 0.10 1 645 144 144 ALA CA C 54.80 0.20 1 646 144 144 ALA CB C 17.50 0.20 1 647 144 144 ALA N N 120.47 0.04 1 648 145 145 MET H H 7.69 0.02 1 649 145 145 MET C C 177.20 0.10 1 650 145 145 MET CA C 56.90 0.20 1 651 145 145 MET CB C 31.90 0.20 1 652 145 145 MET N N 120.91 0.04 1 653 146 146 ALA H H 8.11 0.02 1 654 146 146 ALA C C 178.80 0.10 1 655 146 146 ALA CA C 55.00 0.20 1 656 146 146 ALA CB C 18.50 0.20 1 657 146 146 ALA N N 121.06 0.04 1 658 147 147 LYS H H 7.74 0.02 1 659 147 147 LYS C C 179.60 0.10 1 660 147 147 LYS CA C 58.80 0.20 1 661 147 147 LYS CB C 31.80 0.20 1 662 147 147 LYS CG C 25.00 0.28 1 663 147 147 LYS N N 117.15 0.04 1 664 148 148 GLU H H 7.83 0.02 1 665 148 148 GLU C C 178.50 0.10 1 666 148 148 GLU CA C 59.60 0.20 1 667 148 148 GLU CB C 29.20 0.20 1 668 148 148 GLU CG C 35.80 0.28 1 669 148 148 GLU N N 121.69 0.04 1 670 149 149 ILE H H 7.49 0.02 1 671 149 149 ILE C C 174.20 0.10 1 672 149 149 ILE CA C 60.60 0.20 1 673 149 149 ILE CB C 37.00 0.20 1 674 149 149 ILE CD1 C 16.30 0.28 1 675 149 149 ILE N N 108.85 0.04 1 676 150 150 GLY H H 7.34 0.02 1 677 150 150 GLY C C 176.20 0.10 1 678 150 150 GLY CA C 46.50 0.20 1 679 150 150 GLY N N 108.86 0.04 1 680 151 151 ALA H H 8.53 0.02 1 681 151 151 ALA C C 177.80 0.10 1 682 151 151 ALA CA C 51.90 0.20 1 683 151 151 ALA CB C 19.10 0.20 1 684 151 151 ALA N N 122.58 0.04 1 685 152 152 VAL H H 9.02 0.02 1 686 152 152 VAL C C 176.30 0.10 1 687 152 152 VAL CA C 64.20 0.20 1 688 152 152 VAL CB C 32.10 0.20 1 689 152 152 VAL CG1 C 21.60 0.28 2 690 152 152 VAL CG2 C 21.60 0.28 2 691 152 152 VAL N N 119.05 0.04 1 692 153 153 LYS H H 7.06 0.02 1 693 153 153 LYS C C 173.00 0.10 1 694 153 153 LYS CA C 54.30 0.20 1 695 153 153 LYS CB C 37.40 0.20 1 696 153 153 LYS CG C 25.10 0.28 1 697 153 153 LYS CD C 28.20 0.28 1 698 153 153 LYS N N 114.38 0.04 1 699 154 154 TYR H H 8.06 0.02 1 700 154 154 TYR C C 173.30 0.10 1 701 154 154 TYR CA C 55.40 0.20 1 702 154 154 TYR CB C 40.80 0.20 1 703 154 154 TYR N N 122.50 0.04 1 704 155 155 LEU H H 8.29 0.02 1 705 155 155 LEU C C 173.30 0.10 1 706 155 155 LEU CA C 52.70 0.20 1 707 155 155 LEU CB C 46.80 0.20 1 708 155 155 LEU N N 127.95 0.04 1 709 156 156 GLU H H 7.98 0.02 1 710 156 156 GLU C C 177.50 0.10 1 711 156 156 GLU CA C 53.30 0.20 1 712 156 156 GLU CB C 32.90 0.20 1 713 156 156 GLU N N 115.53 0.04 1 714 157 157 CYS H H 9.01 0.02 1 715 157 157 CYS C C 171.50 0.10 1 716 157 157 CYS CA C 56.10 0.20 1 717 157 157 CYS CB C 32.00 0.20 1 718 157 157 CYS N N 115.19 0.04 1 719 158 158 SER H H 8.36 0.02 1 720 158 158 SER C C 175.90 0.10 1 721 158 158 SER CA C 55.80 0.20 1 722 158 158 SER CB C 65.60 0.20 1 723 158 158 SER N N 111.14 0.04 1 724 159 159 ALA H H 9.29 0.02 1 725 159 159 ALA C C 177.20 0.10 1 726 159 159 ALA CA C 54.60 0.20 1 727 159 159 ALA CB C 19.50 0.20 1 728 159 159 ALA N N 132.88 0.04 1 729 160 160 LEU H H 7.35 0.02 1 730 160 160 LEU C C 177.80 0.10 1 731 160 160 LEU CA C 57.70 0.20 1 732 160 160 LEU CB C 43.20 0.20 1 733 160 160 LEU CG C 25.60 0.28 1 734 160 160 LEU CD1 C 23.00 0.28 2 735 160 160 LEU CD2 C 23.00 0.28 2 736 160 160 LEU N N 119.13 0.04 1 737 161 161 THR H H 8.02 0.02 1 738 161 161 THR C C 176.00 0.10 1 739 161 161 THR CA C 61.30 0.20 1 740 161 161 THR CB C 70.00 0.20 1 741 161 161 THR CG2 C 20.20 0.28 1 742 161 161 THR N N 106.43 0.04 1 743 162 162 GLN H H 7.32 0.02 1 744 162 162 GLN C C 175.30 0.10 1 745 162 162 GLN CA C 59.10 0.20 1 746 162 162 GLN CB C 25.70 0.20 1 747 162 162 GLN CG C 34.50 0.28 1 748 162 162 GLN N N 113.05 0.04 1 749 163 163 ARG H H 7.80 0.02 1 750 163 163 ARG C C 177.20 0.10 1 751 163 163 ARG CA C 57.80 0.20 1 752 163 163 ARG CB C 29.70 0.20 1 753 163 163 ARG CG C 26.80 0.28 1 754 163 163 ARG CD C 40.20 0.28 1 755 163 163 ARG N N 124.07 0.04 1 756 164 164 GLY H H 9.20 0.02 1 757 164 164 GLY C C 175.10 0.10 1 758 164 164 GLY CA C 46.20 0.20 1 759 164 164 GLY N N 115.48 0.04 1 760 165 165 LEU H H 7.46 0.02 1 761 165 165 LEU C C 177.00 0.10 1 762 165 165 LEU CA C 58.70 0.20 1 763 165 165 LEU CB C 43.60 0.20 1 764 165 165 LEU CG C 27.10 0.28 1 765 165 165 LEU CD1 C 25.50 0.28 2 766 165 165 LEU CD2 C 25.50 0.28 2 767 165 165 LEU N N 121.45 0.04 1 768 166 166 LYS H H 8.55 0.02 1 769 166 166 LYS C C 179.20 0.10 1 770 166 166 LYS CA C 60.50 0.20 1 771 166 166 LYS CB C 32.10 0.20 1 772 166 166 LYS CG C 25.60 0.28 1 773 166 166 LYS CD C 32.00 0.28 1 774 166 166 LYS N N 117.29 0.04 1 775 167 167 THR H H 7.72 0.02 1 776 167 167 THR C C 174.60 0.10 1 777 167 167 THR CA C 66.30 0.20 1 778 167 167 THR CB C 69.10 0.20 1 779 167 167 THR CG2 C 23.20 0.28 1 780 167 167 THR N N 113.90 0.04 1 781 168 168 VAL H H 7.06 0.02 1 782 168 168 VAL C C 175.70 0.10 1 783 168 168 VAL CA C 66.50 0.20 1 784 168 168 VAL CB C 31.10 0.20 1 785 168 168 VAL CG1 C 22.10 0.28 2 786 168 168 VAL CG2 C 22.10 0.28 2 787 168 168 VAL N N 119.59 0.04 1 788 169 169 PHE H H 6.26 0.02 1 789 169 169 PHE CA C 61.90 0.20 1 790 169 169 PHE CB C 38.90 0.20 1 791 169 169 PHE N N 115.04 0.04 1 792 170 170 ASP C C 179.40 0.10 1 793 170 170 ASP CA C 57.70 0.20 1 794 170 170 ASP CB C 40.60 0.20 1 795 171 171 GLU H H 8.28 0.02 1 796 171 171 GLU C C 179.40 0.10 1 797 171 171 GLU CA C 58.10 0.20 1 798 171 171 GLU CB C 27.90 0.20 1 799 171 171 GLU CG C 36.10 0.28 1 800 171 171 GLU N N 116.71 0.04 1 801 172 172 ALA H H 7.92 0.02 1 802 172 172 ALA C C 177.60 0.10 1 803 172 172 ALA CA C 55.60 0.20 1 804 172 172 ALA CB C 16.90 0.20 1 805 172 172 ALA N N 124.45 0.04 1 806 173 173 ILE H H 7.57 0.02 1 807 173 173 ILE C C 173.00 0.10 1 808 173 173 ILE CA C 65.60 0.20 1 809 173 173 ILE CB C 37.90 0.20 1 810 173 173 ILE CG2 C 21.50 0.28 1 811 173 173 ILE N N 114.60 0.04 1 812 174 174 ARG H H 8.31 0.02 1 813 174 174 ARG C C 173.00 0.10 1 814 174 174 ARG CA C 60.10 0.20 1 815 174 174 ARG CB C 29.90 0.20 1 816 174 174 ARG CG C 28.90 0.28 1 817 174 174 ARG CD C 43.50 0.28 1 818 174 174 ARG N N 120.16 0.04 1 819 175 175 ALA H H 7.84 0.02 1 820 175 175 ALA C C 177.60 0.10 1 821 175 175 ALA CA C 54.00 0.20 1 822 175 175 ALA CB C 17.70 0.20 1 823 175 175 ALA N N 118.85 0.04 1 824 176 176 VAL H H 7.20 0.02 1 825 176 176 VAL C C 177.20 0.10 1 826 176 176 VAL CA C 64.00 0.20 1 827 176 176 VAL CB C 32.90 0.20 1 828 176 176 VAL CG1 C 22.50 0.28 2 829 176 176 VAL CG2 C 22.50 0.28 2 830 176 176 VAL N N 115.20 0.04 1 831 177 177 LEU H H 8.10 0.02 1 832 177 177 LEU C C 177.80 0.10 1 833 177 177 LEU CA C 56.20 0.20 1 834 177 177 LEU CB C 42.20 0.20 1 835 177 177 LEU CG C 26.00 0.28 1 836 177 177 LEU CD1 C 22.40 0.28 2 837 177 177 LEU CD2 C 22.40 0.28 2 838 177 177 LEU N N 117.91 0.04 1 839 178 178 SER H H 8.11 0.02 1 840 178 178 SER CA C 55.80 0.20 1 841 178 178 SER CB C 63.30 0.20 1 842 178 178 SER N N 114.75 0.04 1 843 181 181 PRO C C 176.90 0.10 1 844 181 181 PRO CA C 62.80 0.20 1 845 181 181 PRO CB C 31.90 0.20 1 846 181 181 PRO CG C 27.40 0.28 1 847 181 181 PRO CD C 50.50 0.28 1 848 182 182 VAL H H 8.15 0.02 1 849 182 182 VAL C C 175.30 0.10 1 850 182 182 VAL CA C 62.70 0.20 1 851 182 182 VAL CB C 32.60 0.20 1 852 182 182 VAL CG1 C 20.90 0.28 2 853 182 182 VAL CG2 C 20.90 0.28 2 854 182 182 VAL N N 120.66 0.04 1 855 183 183 LYS H H 7.85 0.02 1 856 183 183 LYS CA C 57.60 0.20 1 857 183 183 LYS CB C 37.70 0.20 1 858 183 183 LYS N N 129.79 0.04 1 stop_ save_