data_5511 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N resonance assignments for the 21 kDa GTPase Rac1 complexed to GDP and Mg2+ ; _BMRB_accession_number 5511 _BMRB_flat_file_name bmr5511.str _Entry_type original _Submission_date 2002-08-28 _Accession_date 2002-08-28 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Thapar Roopa . . 2 Moore Cathy D. . 3 Campbell Sharon L. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 138 "13C chemical shifts" 261 "15N chemical shifts" 138 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-11-14 original author . stop_ _Original_release_date 2005-11-14 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: Backbone 1H, 13C, and 15N resonance assignments for the 21 kDa GTPase Rac1 complexed to GDP and Mg2+ ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Thapar Roopa . . 2 Moore Cathy D. . 3 Campbell Sharon L. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 27 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 87 _Page_last 88 _Year 2003 _Details . loop_ _Keyword 'backbone assignment' GTPase Rac1 Rho stop_ save_ ################################## # Molecular system description # ################################## save_Rac1 _Saveframe_category molecular_system _Mol_system_name 'p21 Rac1 GTPase' _Abbreviation_common Rac1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Rac1 $Racdm Guanosine-5'-diphosphate $GDP 'Magnesium ion' $MG stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function 'regulation of the actin cytoskeleton' 'gene expression' 'cell proliferation' 'cell adhesion' apoptosis stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Racdm _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Rac1 _Name_variant 'Racdm (C178S, 1-188)' _Abbreviation_common Racdm _Molecular_mass 20991.4 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 188 _Mol_residue_sequence ; MQAIKCVVVGDGAVGKTCLL ISYTTNAFPGEYIPTVFDNY SANVMVDGKPVNLGLWDTAG QEDYDRLRPLSYPQTDVFLI CFSLVSPASFENVRAKWYPE VRHHCPNTPIILVGTKLDLR DDKDTIEKLKEKKLTPITYP QGLAMAKEIGAVKYLECSAL TQRGLKTVFDEAIRAVLSPP PVKKRKRK ; 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 184 LYS 185 ARG 186 LYS 187 ARG 188 LYS stop_ _Sequence_homology_query_date 2008-08-19 _Sequence_homology_query_revised_last_date 2008-08-19 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 SWISS-PROT Q6RUV5 'Ras-related C3 botulinum toxin substrate 1 precursor (p21-Rac1)' 100.00 192 99.47 99.47 5.96e-106 SWISS-PROT P63001 'Ras-related C3 botulinum toxin substrate 1 precursor (p21-Rac1)' 100.00 192 99.47 99.47 5.96e-106 SWISS-PROT P63000 'Ras-related C3 botulinum toxin substrate 1 precursor (p21-Rac1) (Ras-like protein TC25) (Cell migration-inducing gene 5 protein)' 100.00 192 99.47 99.47 5.96e-106 SWISS-PROT P62999 'Ras-related C3 botulinum toxin substrate 1 precursor (p21-Rac1) (Rac2)' 100.00 192 99.47 99.47 5.96e-106 SWISS-PROT P62998 'Ras-related C3 botulinum toxin substrate 1 precursor (p21-Rac1)' 100.00 192 99.47 99.47 5.96e-106 REF NP_001089332 'hypothetical protein LOC734382 [Xenopus laevis]' 100.00 192 98.94 99.47 1.11e-105 REF NP_001084224 'rac GTPase [Xenopus laevis]' 100.00 192 98.94 99.47 1.16e-105 REF NP_001034907 'hypothetical protein LOC562838 [Danio rerio]' 100.00 192 98.40 98.40 1.39e-104 REF NP_001004840 'ras-related C3 botulinum toxin substrate 1 (rho family, small GTP binding protein Rac1) [Xenopus tropicalis]' 100.00 192 99.47 99.47 5.96e-106 REF NP_001003274 'ras-related C3 botulinum toxin substrate 1 [Canis lupus familiaris]' 100.00 192 99.47 99.47 5.96e-106 GenBank AAD50299 'rac GTPase [Xenopus laevis]' 100.00 192 98.94 99.47 1.16e-105 GenBank AAC18960 'GTPase cRac1A [Gallus gallus]' 100.00 192 99.47 99.47 5.96e-106 GenBank AAB22206 'rac1 p21=small GTP-binding protein [human, HL60, Peptide, 192 aa]' 100.00 192 99.47 99.47 5.96e-106 GenBank AAA36544 'ras-like protein' 100.00 191 99.47 99.47 5.22e-106 GenBank AAA36537 'ras-related C3 botulinum toxin substrate' 100.00 192 99.47 99.47 5.96e-106 EMBL CAJ83626 'ras-related C3 botulinum toxin substrate 1 (rho family, small GTP binding protein Rac1) [Xenopus tropicalis]' 100.00 192 99.47 99.47 5.96e-106 EMBL CAG04437 'unnamed protein product [Tetraodon nigroviridis]' 94.15 192 98.31 98.31 2.05e-98 EMBL CAB53579 'Rac1 protein [Homo sapiens]' 100.00 192 99.47 99.47 5.96e-106 EMBL CAA40545 'ras-related C3 botulinium toxin substrate [Mus musculus]' 100.00 192 99.47 99.47 5.96e-106 EMBL CAA39801 'rac2 [Canis familiaris]' 100.00 192 99.47 99.47 5.96e-106 DBJ BAC28767 'unnamed protein product [Mus musculus]' 100.00 192 99.47 99.47 5.96e-106 DBJ BAC16311 'Raichu-1011X [synthetic construct]' 93.62 763 100.00 100.00 4.46e-101 DBJ BAB69451 'unnamed protein product [Mus musculus]' 100.00 192 99.47 99.47 5.96e-106 DBJ BAB26027 'unnamed protein product [Mus musculus]' 100.00 192 99.47 99.47 5.96e-106 DBJ BAB25667 'unnamed protein product [Mus musculus]' 100.00 192 98.94 99.47 1.22e-105 PDB 3BJI 'Structural Basis Of Promiscuous Guanine Nucleotide Exchange By The T-Cell Essential Vav1' 94.15 177 100.00 100.00 2.70e-100 PDB 2VRW 'Critical Structural Role For The Ph And C1 Domains Of The Vav1 Exchange Factor' 97.87 184 99.46 99.46 1.40e-103 PDB 2RMK 'Rac1PRK1 COMPLEX' 100.00 192 98.94 98.94 4.64e-105 PDB 2P2L 'Rac1-Gdp-Zinc Complex' 97.87 188 98.91 98.91 7.23e-103 PDB 2NZ8 'N-Terminal Dhph Cassette Of Trio In Complex With Nucleotide- Free Rac1' 94.15 177 100.00 100.00 2.70e-100 PDB 2H7V 'Co-Crystal Structure Of Ypka-Rac1' 97.87 188 98.91 98.91 7.23e-103 PDB 2FJU 'Activated Rac1 Bound To Its Effector Phospholipase C Beta 2' 94.68 178 100.00 100.00 6.94e-101 PDB 1MH1 'Small G-Protein' 97.34 186 98.91 98.91 7.11e-102 PDB 1I4T 'Crystal Structure Analysis Of Rac1-Gmppnp In Complex With Arfaptin' 100.00 192 98.94 98.94 4.64e-105 PDB 1I4L 'Crystal Structure Analysis Of Rac1-Gdp In Complex With Arfaptin (P41)' 100.00 192 99.47 99.47 5.96e-106 PDB 1I4D 'Crystal Structure Analysis Of Rac1-Gdp Complexed With Arfaptin (P21)' 100.00 192 99.47 99.47 5.96e-106 PDB 1HH4 'Rac1-Rhogdi Complex Involved In Nadph Oxidase Activation' 99.47 192 98.93 98.93 3.36e-104 PDB 1HE1 'Crystal Structure Of The Complex Between The Gap Domain Of The Pseudomonas Aeruginosa Exos Toxin And Human Rac' 93.09 176 100.00 100.00 5.50e-99 PDB 1G4U 'Crystal Structure Of The Salmonella Tyrosine Phosphatase And Gtpase Activating Protein Sptp Bound To Rac1' 97.87 184 98.91 98.91 1.22e-102 PDB 1FOE 'Crystal Structure Of Rac1 In Complex With The Guanine Nucleotide Exchange Region Of Tiam1' 94.15 177 100.00 100.00 2.70e-100 PDB 1E96 'Structure Of The RacP67PHOX COMPLEX' 99.47 192 98.93 98.93 3.53e-104 BMRB 6970 Rac1 97.34 183 100.00 100.00 8.26e-104 BMRB 11010 Rac1 100.00 192 98.94 98.94 4.64e-105 stop_ save_ ############# # Ligands # ############# save_GDP _Saveframe_category ligand _Mol_type "non-polymer (RNA linking)" _Name_common "GDP (GUANOSINE-5'-DIPHOSPHATE)" _BMRB_code . _PDB_code GDP _Molecular_mass 443.201 _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 Mon Jul 25 11:18:42 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons PB PB P . 0 . ? O1B O1B O . 0 . ? O2B O2B O . 0 . ? O3B O3B 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 . ? HOB2 HOB2 H . 0 . ? HOB3 HOB3 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 PB O1B ? ? SING PB O2B ? ? SING PB O3B ? ? SING PB O3A ? ? SING O2B HOB2 ? ? SING O3B HOB3 ? ? 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 Mon Jul 25 11:20:54 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 $Racdm 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 $Racdm 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Rac1_GDP_Mg_(15N_13C_2H) _Saveframe_category sample _Sample_type solution _Details ; The sample is uniformly labeled with 15N and 13C and is perdeuterated ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Racdm . mM 0.5 0.7 '[U-15N; U-13C; U-2H]' stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Saveframe_category software _Name FELIX _Version 98.2 loop_ _Task 'data processing' analysis stop_ _Details 'Accelrys Inc.' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 600 _Details . save_ save_NMR_spectrometer2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _Sample_label $Rac1_GDP_Mg_(15N_13C_2H) save_ save_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label $Rac1_GDP_Mg_(15N_13C_2H) save_ save_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label $Rac1_GDP_Mg_(15N_13C_2H) save_ save_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $Rac1_GDP_Mg_(15N_13C_2H) save_ save_1H-15N_TOCSY-HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N TOCSY-HSQC' _Sample_label $Rac1_GDP_Mg_(15N_13C_2H) save_ save_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label $Rac1_GDP_Mg_(15N_13C_2H) save_ save_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $Rac1_GDP_Mg_(15N_13C_2H) save_ save_CC(CO)NH_TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name 'CC(CO)NH TOCSY' _Sample_label $Rac1_GDP_Mg_(15N_13C_2H) save_ save_1H-15N_NOESY-HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY-HSQC' _Sample_label $Rac1_GDP_Mg_(15N_13C_2H) save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N TOCSY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name 'CC(CO)NH TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.8 0.2 n/a temperature 298 1.5 K 'ionic strength' 0.065 . M stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $Rac1_GDP_Mg_(15N_13C_2H) stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $chemical_shift_reference _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 . 4 ILE H H 8.61 0.02 1 2 . 4 ILE N N 122.74 0.05 1 3 . 5 LYS H H 10.61 0.02 1 4 . 5 LYS C C 175.33 0.05 1 5 . 5 LYS N N 132.76 0.05 1 6 . 6 CYS H H 9.39 0.02 1 7 . 6 CYS C C 174.89 0.05 1 8 . 6 CYS N N 132.2 0.05 1 9 . 7 VAL H H 7.48 0.02 1 10 . 7 VAL C C 178.62 0.05 1 11 . 7 VAL N N 129.87 0.05 1 12 . 8 VAL H H 8.41 0.02 1 13 . 8 VAL C C 175.44 0.05 1 14 . 8 VAL N N 127.84 0.05 1 15 . 10 GLY H H 6.46 0.02 1 16 . 10 GLY C C 175.77 0.05 1 17 . 10 GLY CA C 42.35 0.05 1 18 . 10 GLY N N 107.69 0.05 1 19 . 11 ASP H H 8.41 0.02 1 20 . 11 ASP C C 176.65 0.05 1 21 . 11 ASP CA C 53.75 0.05 1 22 . 11 ASP N N 120.56 0.05 1 23 . 12 GLY H H 8.95 0.02 1 24 . 12 GLY C C 171.62 0.05 1 25 . 12 GLY CA C 45.09 0.05 1 26 . 12 GLY N N 106.65 0.05 1 27 . 13 ALA H H 10.57 0.02 1 28 . 13 ALA C C 175.12 0.05 1 29 . 13 ALA CA C 51.47 0.05 1 30 . 13 ALA N N 124.69 0.05 1 31 . 15 GLY H H 8.72 0.02 1 32 . 15 GLY C C 175.34 0.05 1 33 . 15 GLY CA C 42.35 0.05 1 34 . 15 GLY N N 110.57 0.05 1 35 . 16 LYS H H 10.38 0.02 1 36 . 16 LYS C C 173.15 0.05 1 37 . 16 LYS CA C 58.08 0.05 1 38 . 16 LYS N N 127.10 0.05 1 39 . 17 THR H H 9.04 0.02 1 40 . 17 THR C C 172.49 0.05 1 41 . 17 THR N N 119.68 0.05 1 42 . 18 CYS H H 9.67 0.02 1 43 . 18 CYS C C 171.62 0.05 1 44 . 18 CYS CA C 63.55 0.05 1 45 . 18 CYS N N 120.65 0.05 1 46 . 19 LEU H H 7.22 0.02 1 47 . 19 LEU C C 169.10 0.05 1 48 . 19 LEU CA C 56.71 0.05 1 49 . 19 LEU N N 118.41 0.05 1 50 . 20 LEU H H 7.85 0.02 1 51 . 20 LEU C C 169.65 0.05 1 52 . 20 LEU CA C 57.40 0.05 1 53 . 20 LEU N N 122.51 0.05 1 54 . 21 ILE H H 7.56 0.02 1 55 . 21 ILE C C 170.85 0.05 1 56 . 21 ILE CA C 58.31 0.05 1 57 . 21 ILE N N 109.89 0.05 1 58 . 24 THR H H 7.62 0.02 1 59 . 24 THR C C 172.16 0.05 1 60 . 24 THR CA C 62.19 0.05 1 61 . 24 THR N N 106.59 0.05 1 62 . 25 THR H H 8.09 0.02 1 63 . 25 THR C C 172.49 0.05 1 64 . 25 THR CA C 60.02 0.05 1 65 . 25 THR N N 111.16 0.05 1 66 . 26 ASN H H 7.57 0.02 1 67 . 26 ASN C C 174.02 0.05 1 68 . 26 ASN CA C 53.06 0.05 1 69 . 26 ASN N N 117.29 0.05 1 70 . 27 ALA H H 7.94 0.02 1 71 . 27 ALA C C 173.91 0.05 1 72 . 27 ALA CA C 53.52 0.05 1 73 . 27 ALA N N 125.25 0.05 1 74 . 28 PHE H H 8.40 0.02 1 75 . 28 PHE C C 174.89 0.05 1 76 . 28 PHE CA C 54.43 0.05 1 77 . 28 PHE N N 124.76 0.05 1 78 . 30 GLY H H 7.49 0.02 1 79 . 30 GLY C C 174.13 0.05 1 80 . 30 GLY CA C 42.81 0.05 1 81 . 30 GLY N N 109.34 0.05 1 82 . 31 GLU H H 8.47 0.02 1 83 . 31 GLU C C 175.88 0.05 1 84 . 31 GLU CA C 54.55 0.05 1 85 . 31 GLU N N 119.71 0.05 1 86 . 32 TYR H H 7.85 0.02 1 87 . 32 TYR C C 173.48 0.05 1 88 . 32 TYR CA C 55.57 0.05 1 89 . 32 TYR N N 120.50 0.05 1 90 . 33 ILE H H 7.77 0.02 1 91 . 33 ILE C C 175.56 0.05 1 92 . 33 ILE CA C 55.80 0.05 1 93 . 33 ILE N N 127.22 0.05 1 94 . 40 TYR H H 7.89 0.02 1 95 . 40 TYR C C 171.62 0.05 1 96 . 40 TYR CA C 50.79 0.05 1 97 . 40 TYR N N 118.35 0.05 1 98 . 41 SER H H 7.98 0.02 1 99 . 41 SER C C 175.99 0.05 1 100 . 41 SER CA C 51.24 0.05 1 101 . 41 SER N N 116.74 0.05 1 102 . 42 ALA H H 8.55 0.02 1 103 . 42 ALA C C 175.23 0.05 1 104 . 42 ALA CA C 54.77 0.05 1 105 . 42 ALA N N 129.11 0.05 1 106 . 43 ASN H H 8.82 0.02 1 107 . 43 ASN C C 172.71 0.05 1 108 . 43 ASN CA C 54.32 0.05 1 109 . 43 ASN N N 119.15 0.05 1 110 . 45 MET H H 8.52 0.02 1 111 . 45 MET C C 174.24 0.05 1 112 . 45 MET CA C 51.70 0.05 1 113 . 45 MET N N 125.63 0.05 1 114 . 46 VAL H H 8.72 0.02 1 115 . 46 VAL C C 173.26 0.05 1 116 . 46 VAL CA C 59.45 0.05 1 117 . 46 VAL N N 126.89 0.05 1 118 . 47 ASP H H 9.28 0.02 1 119 . 47 ASP C C 174.13 0.05 1 120 . 47 ASP CA C 53.18 0.05 1 121 . 47 ASP N N 128.31 0.05 1 122 . 48 GLY H H 8.48 0.02 1 123 . 48 GLY C C 173.15 0.05 1 124 . 48 GLY CA C 43.27 0.05 1 125 . 48 GLY N N 103.34 0.05 1 126 . 49 LYS H H 7.97 0.02 1 127 . 49 LYS C C 175.56 0.05 1 128 . 49 LYS CA C 50.56 0.05 1 129 . 49 LYS N N 123.24 0.05 1 130 . 51 VAL H H 9.02 0.02 1 131 . 51 VAL C C 172.60 0.05 1 132 . 51 VAL CA C 60.36 0.05 1 133 . 51 VAL N N 122.92 0.05 1 134 . 52 ASN H H 8.65 0.02 1 135 . 52 ASN C C 175.12 0.05 1 136 . 52 ASN CA C 50.22 0.05 1 137 . 52 ASN N N 124.81 0.05 1 138 . 53 LEU H H 9.13 0.02 1 139 . 53 LEU C C 175.99 0.05 1 140 . 53 LEU CA C 51.93 0.05 1 141 . 53 LEU N N 130.78 0.05 1 142 . 54 GLY H H 9.55 0.02 1 143 . 54 GLY C C 175.22 0.05 1 144 . 54 GLY CA C 43.04 0.05 1 145 . 54 GLY N N 117.64 0.05 1 146 . 55 LEU H H 8.78 0.02 1 147 . 55 LEU C C 176.65 0.05 1 148 . 55 LEU CA C 51.70 0.05 1 149 . 55 LEU N N 126.66 0.05 1 150 . 56 TRP H H 8.78 0.02 1 151 . 56 TRP C C 174.57 0.05 1 152 . 56 TRP CA C 54.89 0.05 1 153 . 56 TRP N N 124.62 0.05 1 154 . 57 ASP H H 8.81 0.02 1 155 . 57 ASP C C 175.45 0.05 1 156 . 57 ASP CA C 54.09 0.05 1 157 . 57 ASP N N 125.12 0.05 1 158 . 64 TYR H H 8.05 0.02 1 159 . 64 TYR C C 172.27 0.05 1 160 . 64 TYR CA C 59.67 0.05 1 161 . 64 TYR N N 118.32 0.05 1 162 . 65 ASP H H 8.17 0.02 1 163 . 65 ASP C C 172.38 0.05 1 164 . 65 ASP CA C 55.69 0.05 1 165 . 65 ASP N N 121.68 0.05 1 166 . 66 ARG H H 8.72 0.02 1 167 . 66 ARG C C 172.27 0.05 1 168 . 66 ARG CA C 50.79 0.05 1 169 . 66 ARG N N 113.34 0.05 1 170 . 67 LEU H H 8.97 0.02 1 171 . 67 LEU C C 174.79 0.05 1 172 . 67 LEU CA C 58.31 0.05 1 173 . 67 LEU N N 123.77 0.05 1 174 . 68 ARG H H 8.92 0.02 1 175 . 68 ARG C C 173.15 0.05 1 176 . 68 ARG N N 115.72 0.05 1 177 . 70 LEU H H 7.74 0.02 1 178 . 70 LEU C C 168.33 0.05 1 179 . 70 LEU CA C 55.12 0.05 1 180 . 70 LEU N N 121.91 0.05 1 181 . 71 SER H H 7.79 0.02 1 182 . 71 SER C C 175.44 0.05 1 183 . 71 SER N N 113.19 0.05 1 184 . 72 TYR H H 7.28 0.02 1 185 . 72 TYR C C 175.12 0.05 1 186 . 72 TYR CA C 54.67 0.05 1 187 . 72 TYR N N 121.15 0.05 1 188 . 78 PHE H H 8.49 0.02 1 189 . 78 PHE C C 175.00 0.05 1 190 . 78 PHE CA C 54.89 0.05 1 191 . 78 PHE N N 124.41 0.05 1 192 . 79 LEU H H 8.31 0.02 1 193 . 79 LEU C C 170.08 0.05 1 194 . 79 LEU CA C 55.80 0.05 1 195 . 79 LEU N N 117.09 0.05 1 196 . 82 PHE H H 8.83 0.02 1 197 . 82 PHE C C 175.34 0.05 1 198 . 82 PHE CA C 54.89 0.05 1 199 . 82 PHE N N 124.41 0.05 1 200 . 83 SER H H 8.19 0.02 1 201 . 83 SER C C 178.39 0.05 1 202 . 83 SER N N 114.59 0.05 1 203 . 84 LEU H H 8.85 0.02 1 204 . 84 LEU CA C 55.23 0.05 1 205 . 84 LEU N N 129.68 0.05 1 206 . 85 VAL H H 7.45 0.02 1 207 . 85 VAL C C 172.71 0.05 1 208 . 85 VAL CA C 56.94 0.05 1 209 . 85 VAL N N 104.39 0.05 1 210 . 86 SER H H 7.74 0.02 1 211 . 86 SER C C 175.45 0.05 1 212 . 86 SER CA C 51.93 0.05 1 213 . 86 SER N N 113.19 0.05 1 214 . 89 SER H H 8.89 0.02 1 215 . 89 SER C C 169.87 0.05 1 216 . 89 SER CA C 59.22 0.05 1 217 . 89 SER N N 120.04 0.05 1 218 . 90 PHE H H 7.43 0.02 1 219 . 90 PHE C C 173.04 0.05 1 220 . 90 PHE CA C 57.17 0.05 1 221 . 90 PHE N N 126.37 0.05 1 222 . 91 GLU H H 8.26 0.02 1 223 . 91 GLU C C 171.72 0.05 1 224 . 91 GLU CA C 56.72 0.05 1 225 . 91 GLU N N 120.59 0.05 1 226 . 92 ASN H H 7.88 0.02 1 227 . 92 ASN C C 169.21 0.05 1 228 . 92 ASN CA C 52.38 0.05 1 229 . 92 ASN N N 115.55 0.05 1 230 . 93 VAL H H 8.11 0.02 1 231 . 93 VAL C C 170.74 0.05 1 232 . 93 VAL CA C 66.51 0.05 1 233 . 93 VAL N N 125.83 0.05 1 234 . 94 ARG H H 6.38 0.02 1 235 . 94 ARG C C 174.02 0.05 1 236 . 94 ARG CA C 55.80 0.05 1 237 . 94 ARG N N 116.29 0.05 1 238 . 95 ALA H H 7.89 0.02 1 239 . 95 ALA C C 172.27 0.05 1 240 . 95 ALA CA C 51.93 0.05 1 241 . 95 ALA N N 118.38 0.05 1 242 . 96 LYS H H 7.89 0.05 1 243 . 96 LYS C C 171.72 0.05 1 244 . 96 LYS CA C 51.01 0.05 1 245 . 96 LYS N N 115.75 0.05 1 246 . 98 TYR H H 9.11 0.02 1 247 . 98 TYR C C 172.71 0.05 1 248 . 98 TYR CA C 59.45 0.05 1 249 . 98 TYR N N 118.61 0.05 1 250 . 101 VAL H H 8.84 0.02 1 251 . 101 VAL C C 174.78 0.05 1 252 . 101 VAL CA C 54.21 0.05 1 253 . 101 VAL N N 118.67 0.05 1 254 . 102 ARG H H 7.03 0.02 1 255 . 102 ARG C C 173.69 0.05 1 256 . 102 ARG CA C 60.14 0.05 1 257 . 102 ARG N N 121.82 0.05 1 258 . 110 ILE H H 8.59 0.02 1 259 . 110 ILE CA C 57.40 0.05 1 260 . 110 ILE N N 120.0 0.05 1 261 . 111 ILE H H 9.01 0.02 1 262 . 111 ILE CA C 56.94 0.05 1 263 . 111 ILE N N 127.39 0.05 1 264 . 112 LEU H H 8.29 0.02 1 265 . 112 LEU C C 175.34 0.05 1 266 . 112 LEU CA C 51.47 0.05 1 267 . 112 LEU N N 130.81 0.05 1 268 . 113 VAL H H 9.25 0.02 1 269 . 113 VAL C C 176.10 0.05 1 270 . 113 VAL CA C 58.08 0.05 1 271 . 113 VAL N N 128.93 0.05 1 272 . 114 GLY H H 8.81 0.02 1 273 . 114 GLY C C 174.89 0.05 1 274 . 114 GLY CA C 42.35 0.05 1 275 . 114 GLY N N 114.90 0.05 1 276 . 115 THR H H 9.16 0.02 1 277 . 115 THR C C 176.32 0.05 1 278 . 115 THR CA C 57.96 0.05 1 279 . 115 THR N N 117.64 0.05 1 280 . 116 LYS H H 9.09 0.02 1 281 . 116 LYS C C 174.02 0.05 1 282 . 116 LYS CA C 57.96 0.05 1 283 . 116 LYS N N 109.48 0.05 1 284 . 117 LEU H H 7.83 0.02 1 285 . 117 LEU C C 170.52 0.05 1 286 . 117 LEU CA C 58.53 0.05 1 287 . 117 LEU N N 117.97 0.05 1 288 . 118 ASP H H 8.47 0.02 1 289 . 118 ASP C C 171.07 0.05 1 290 . 118 ASP CA C 55.80 0.05 1 291 . 118 ASP N N 119.26 0.05 1 292 . 119 LEU H H 8.08 0.02 1 293 . 119 LEU C C 174.02 0.05 1 294 . 119 LEU CA C 65.83 0.05 1 295 . 119 LEU N N 118.92 0.05 1 296 . 120 ARG H H 7.18 0.02 1 297 . 120 ARG C C 171.18 0.05 1 298 . 120 ARG CA C 58.31 0.05 1 299 . 120 ARG N N 119.71 0.05 1 300 . 121 ASP H H 7.30 0.02 1 301 . 121 ASP C C 175.01 0.05 1 302 . 121 ASP CA C 50.56 0.05 1 303 . 121 ASP N N 112.90 0.05 1 304 . 122 ASP H H 7.19 0.02 1 305 . 122 ASP C C 173.69 0.05 1 306 . 122 ASP CA C 51.93 0.05 1 307 . 122 ASP N N 122.89 0.05 1 308 . 123 LYS H H 8.83 0.02 1 309 . 123 LYS C C 174.35 0.05 1 310 . 123 LYS CA C 58.31 0.05 1 311 . 123 LYS N N 130.37 0.05 1 312 . 124 ASP H H 8.52 0.02 1 313 . 124 ASP C C 171.62 0.05 1 314 . 124 ASP CA C 53.41 0.05 1 315 . 124 ASP N N 113.37 0.05 1 316 . 125 THR H H 7.70 0.02 1 317 . 125 THR C C 176.21 0.05 1 318 . 125 THR CA C 54.21 0.05 1 319 . 125 THR N N 121.68 0.05 1 320 . 126 ILE H H 8.17 0.02 1 321 . 126 ILE C C 172.38 0.05 1 322 . 126 ILE CA C 53.30 0.05 1 323 . 126 ILE N N 121.65 0.05 1 324 . 127 GLU H H 8.38 0.02 1 325 . 127 GLU C C 169.97 0.05 1 326 . 127 GLU CA C 57.40 0.05 1 327 . 127 GLU N N 121.36 0.05 1 328 . 128 LYS H H 8.05 0.02 1 329 . 128 LYS C C 170.19 0.05 1 330 . 128 LYS CA C 57.96 0.05 1 331 . 128 LYS N N 121.71 0.05 1 332 . 129 LEU H H 7.92 0.02 1 333 . 129 LEU C C 174.02 0.05 1 334 . 129 LEU CA C 51.01 0.05 1 335 . 129 LEU N N 119.17 0.05 1 336 . 130 LYS H H 8.36 0.02 1 337 . 130 LYS C C 169.65 0.05 1 338 . 130 LYS CA C 57.62 0.05 1 339 . 130 LYS N N 122.42 0.05 1 340 . 131 GLU H H 7.78 0.02 1 341 . 131 GLU C C 168.55 0.05 1 342 . 131 GLU CA C 57.17 0.05 1 343 . 131 GLU N N 121.47 0.05 1 344 . 132 LYS H H 7.29 0.02 1 345 . 132 LYS C C 171.62 0.05 1 346 . 132 LYS CA C 52.84 0.05 1 347 . 132 LYS N N 117.82 0.05 1 348 . 133 LYS H H 8.09 0.02 1 349 . 133 LYS C C 174.68 0.05 1 350 . 133 LYS CA C 55.12 0.05 1 351 . 133 LYS N N 115.25 0.05 1 352 . 134 LEU H H 8.14 0.02 1 353 . 134 LEU C C 175.33 0.05 1 354 . 134 LEU CA C 51.13 0.05 1 355 . 134 LEU N N 121.07 0.05 1 356 . 135 THR H H 7.82 0.02 1 357 . 135 THR C C 172.93 0.05 1 358 . 135 THR CA C 56.83 0.05 1 359 . 135 THR N N 113.99 0.05 1 360 . 137 ILE H H 8.75 0.02 1 361 . 137 ILE C C 174.13 0.05 1 362 . 137 ILE CA C 57.62 0.05 1 363 . 137 ILE N N 123.83 0.05 1 364 . 138 THR H H 7.76 0.02 1 365 . 138 THR C C 171.51 0.05 1 366 . 138 THR CA C 51.93 0.05 1 367 . 138 THR N N 119.47 0.05 1 368 . 139 TYR H H 8.11 0.02 1 369 . 139 TYR C C 176.21 0.05 1 370 . 139 TYR CA C 53.29 0.05 1 371 . 139 TYR N N 123.30 0.05 1 372 . 141 GLN H H 7.46 0.02 1 373 . 141 GLN C C 174.35 0.05 1 374 . 141 GLN CA C 58.31 0.05 1 375 . 141 GLN N N 118.21 0.05 1 376 . 142 GLY H H 7.37 0.02 1 377 . 142 GLY C C 175.00 0.05 1 378 . 142 GLY CA C 44.41 0.05 1 379 . 142 GLY N N 109.72 0.05 1 380 . 143 LEU H H 8.43 0.02 1 381 . 143 LEU C C 170.19 0.05 1 382 . 143 LEU CA C 53.75 0.05 1 383 . 143 LEU N N 121.10 0.05 1 384 . 144 ALA H H 7.70 0.02 1 385 . 144 ALA C C 176.21 0.05 1 386 . 144 ALA CA C 54.89 0.05 1 387 . 144 ALA N N 121.71 0.05 1 388 . 145 MET H H 7.99 0.02 1 389 . 145 MET C C 175.99 0.05 1 390 . 145 MET CA C 59.11 0.05 1 391 . 145 MET N N 116.52 0.05 1 392 . 146 ALA H H 8.17 0.02 1 393 . 146 ALA C C 172.38 0.05 1 394 . 146 ALA CA C 60.25 0.05 1 395 . 146 ALA N N 121.68 0.05 1 396 . 147 LYS H H 9.16 0.02 1 397 . 147 LYS C C 172.16 0.05 1 398 . 147 LYS N N 116.23 0.05 1 399 . 149 ILE H H 8.51 0.02 1 400 . 149 ILE C C 172.82 0.05 1 401 . 149 ILE CA C 56.83 0.05 1 402 . 149 ILE N N 123.09 0.05 1 403 . 150 GLY H H 8.17 0.02 1 404 . 150 GLY C C 169.76 0.05 1 405 . 150 GLY CA C 44.41 0.05 1 406 . 150 GLY N N 111.95 0.05 1 407 . 151 ALA H H 8.56 0.02 1 408 . 151 ALA C C 173.15 0.05 1 409 . 151 ALA CA C 49.87 0.05 1 410 . 151 ALA N N 123.39 0.05 1 411 . 152 VAL H H 9.07 0.02 1 412 . 152 VAL C C 171.51 0.05 1 413 . 152 VAL CA C 62.18 0.05 1 414 . 152 VAL N N 120.23 0.05 1 415 . 153 LYS H H 7.09 0.02 1 416 . 153 LYS C C 172.93 0.05 1 417 . 153 LYS CA C 57.17 0.05 1 418 . 153 LYS N N 115.08 0.05 1 419 . 154 TYR H H 9.11 0.02 1 420 . 154 TYR C C 175.01 0.05 1 421 . 154 TYR N N 122.21 0.05 1 422 . 155 LEU H H 7.57 0.02 1 423 . 155 LEU C C 169.98 0.05 1 424 . 155 LEU CA C 54.78 0.05 1 425 . 155 LEU N N 121.32 0.05 1 426 . 156 GLU H H 8.32 0.02 1 427 . 156 GLU C C 171.07 0.05 1 428 . 156 GLU CA C 55.81 0.05 1 429 . 156 GLU N N 116.93 0.05 1 430 . 158 SER H H 8.40 0.02 1 431 . 158 SER C C 177.74 0.05 1 432 . 158 SER CA C 53.75 0.05 1 433 . 158 SER N N 112.14 0.05 1 434 . 159 ALA H H 9.32 0.02 1 435 . 159 ALA C C 173.37 0.05 1 436 . 159 ALA CA C 52.38 0.05 1 437 . 159 ALA N N 133.76 0.05 1 438 . 160 LEU H H 7.32 0.02 1 439 . 160 LEU C C 172.05 0.05 1 440 . 160 LEU CA C 55.57 0.05 1 441 . 160 LEU N N 120.19 0.05 1 442 . 161 THR H H 8.09 0.02 1 443 . 161 THR C C 171.39 0.05 1 444 . 161 THR CA C 59.22 0.05 1 445 . 161 THR N N 107.51 0.05 1 446 . 162 GLN H H 7.37 0.02 1 447 . 162 GLN C C 173.15 0.05 1 448 . 162 GLN CA C 56.94 0.05 1 449 . 162 GLN N N 114.14 0.05 1 450 . 163 ARG H H 7.86 0.02 1 451 . 163 ARG C C 173.91 0.05 1 452 . 163 ARG CA C 55.80 0.05 1 453 . 163 ARG N N 124.98 0.05 1 454 . 164 GLY H H 9.16 0.02 1 455 . 164 GLY C C 172.16 0.05 1 456 . 164 GLY CA C 44.18 0.05 1 457 . 164 GLY N N 116.20 0.05 1 458 . 165 LEU H H 7.46 0.02 1 459 . 165 LEU C C 174.13 0.05 1 460 . 165 LEU CA C 56.49 0.05 1 461 . 165 LEU N N 118.21 0.05 1 462 . 166 LYS H H 8.59 0.02 1 463 . 166 LYS C C 172.27 0.05 1 464 . 166 LYS CA C 58.31 0.05 1 465 . 166 LYS N N 118.21 0.05 1 466 . 167 THR H H 7.77 0.02 1 467 . 167 THR C C 170.08 0.05 1 468 . 167 THR CA C 64.12 0.05 1 469 . 167 THR N N 114.75 0.05 1 470 . 168 VAL H H 7.13 0.02 1 471 . 168 VAL C C 174.57 0.05 1 472 . 168 VAL CA C 64.23 0.05 1 473 . 168 VAL N N 120.50 0.05 1 474 . 169 PHE H H 6.31 0.02 1 475 . 169 PHE C C 173.47 0.05 1 476 . 169 PHE CA C 59.68 0.05 1 477 . 169 PHE N N 115.96 0.05 1 478 . 170 ASP H H 7.41 0.02 1 479 . 170 ASP C C 173.26 0.05 1 480 . 170 ASP CA C 56.83 0.05 1 481 . 170 ASP N N 114.31 0.05 1 482 . 172 ALA H H 7.58 0.02 1 483 . 172 ALA C C 169.97 0.05 1 484 . 172 ALA CA C 52.61 0.05 1 485 . 172 ALA N N 121.27 0.05 1 486 . 173 ILE H H 7.62 0.02 1 487 . 173 ILE C C 171.62 0.05 1 488 . 173 ILE CA C 63.32 0.05 1 489 . 173 ILE N N 115.55 0.05 1 490 . 174 ARG H H 8.47 0.02 1 491 . 174 ARG C C 170.19 0.05 1 492 . 174 ARG CA C 57.86 0.05 1 493 . 174 ARG N N 120.97 0.05 1 494 . 175 ALA H H 7.86 0.02 1 495 . 175 ALA C C 171.39 0.05 1 496 . 175 ALA CA C 51.93 0.05 1 497 . 175 ALA N N 119.76 0.05 1 498 . 176 VAL H H 7.25 0.02 1 499 . 176 VAL C C 171.72 0.05 1 500 . 176 VAL CA C 61.73 0.05 1 501 . 176 VAL N N 116.23 0.05 1 502 . 177 LEU H H 7.88 0.02 1 503 . 177 LEU C C 174.46 0.05 1 504 . 177 LEU CA C 54.09 0.05 1 505 . 177 LEU N N 122.21 0.05 1 506 . 178 SER H H 8.14 0.02 1 507 . 178 SER C C 171.18 0.05 1 508 . 178 SER CA C 53.75 0.05 1 509 . 178 SER N N 115.72 0.05 1 510 . 182 VAL H H 7.42 0.02 1 511 . 182 VAL C C 174.89 0.05 1 512 . 182 VAL CA C 52.96 0.05 1 513 . 182 VAL N N 117.32 0.05 1 514 . 183 LYS H H 7.79 0.02 1 515 . 183 LYS C C 170.52 0.05 1 516 . 183 LYS CA C 54.67 0.05 1 517 . 183 LYS N N 118.06 0.05 1 518 . 184 LYS H H 8.37 0.02 1 519 . 184 LYS C C 172.92 0.05 1 520 . 184 LYS CA C 53.98 0.05 1 521 . 184 LYS N N 123.98 0.05 1 522 . 185 ARG H H 8.32 0.02 1 523 . 185 ARG C C 172.92 0.05 1 524 . 185 ARG CA C 54.09 0.05 1 525 . 185 ARG N N 124.30 0.05 1 526 . 186 LYS H H 7.96 0.02 1 527 . 186 LYS C C 174.02 0.05 1 528 . 186 LYS CA C 55.80 0.05 1 529 . 186 LYS N N 128.54 0.05 1 530 . 187 ARG H H 8.36 0.02 1 531 . 187 ARG C C 173.03 0.05 1 532 . 187 ARG CA C 53.98 0.05 1 533 . 187 ARG N N 126.46 0.05 1 534 . 188 LYS H H 8.34 0.02 1 535 . 188 LYS C C 173.04 0.05 1 536 . 188 LYS CA C 53.98 0.05 1 537 . 188 LYS N N 126.30 0.05 1 stop_ save_