data_18251 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Cdc42Hs-GMPPCP Complex ; _BMRB_accession_number 18251 _BMRB_flat_file_name bmr18251.str _Entry_type original _Submission_date 2012-02-09 _Accession_date 2012-02-09 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Chemical shift values, backbone order parameters and carbon methyl order parameters for the Cdc42Hs-GMPPCP complex' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Moorman Veroncia R. . 2 Dogan Jakob . . 3 Love Fiona M. . 4 Valentine Kathleen G. . 5 Wand Joshua . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 S2_parameters 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 240 "13C chemical shifts" 220 "15N chemical shifts" 142 "order parameters" 224 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-09-03 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 18252 Cdc42Hs stop_ _Original_release_date 2012-02-09 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Dynamic and thermodynamic response of the Ras protein Cdc42Hs upon association with the effector domain of PAK3 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25109462 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Moorman Veronica R. . 2 Valentine Kathleen G. . 3 Bedard Sabrina . . 4 Kasinath Vignesh . . 5 Dogan Jakob . . 6 Love Fiona M. . 7 Wand 'A Joshua' J. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume 426 _Journal_issue 21 _Journal_ISSN 1089-8638 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 3520 _Page_last 3538 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Cdc42Hs _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Cdc42Hs $Cdc42Hs stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Cdc42Hs _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Cdc42Hs _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 180 _Mol_residue_sequence ; GSMQTIKCVVVGDGAVGKTC LLISYTTNKFPSEYVPTVFD NYAVTVMIGGEPYTLGLFDT AGQEDYDRLRPLSYPQTDVF LVCFSVVSPSSFENVKEKWV PEITHHCPKTPFLLVGTQID LRDDPSTIEKLAKNKQKPIT PETAEKLARDLKAVKYVECS ALTQKGLKNVFDEAILAALE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -2 GLY 2 -1 SER 3 1 MET 4 2 GLN 5 3 THR 6 4 ILE 7 5 LYS 8 6 CYS 9 7 VAL 10 8 VAL 11 9 VAL 12 10 GLY 13 11 ASP 14 12 GLY 15 13 ALA 16 14 VAL 17 15 GLY 18 16 LYS 19 17 THR 20 18 CYS 21 19 LEU 22 20 LEU 23 21 ILE 24 22 SER 25 23 TYR 26 24 THR 27 25 THR 28 26 ASN 29 27 LYS 30 28 PHE 31 29 PRO 32 30 SER 33 31 GLU 34 32 TYR 35 33 VAL 36 34 PRO 37 35 THR 38 36 VAL 39 37 PHE 40 38 ASP 41 39 ASN 42 40 TYR 43 41 ALA 44 42 VAL 45 43 THR 46 44 VAL 47 45 MET 48 46 ILE 49 47 GLY 50 48 GLY 51 49 GLU 52 50 PRO 53 51 TYR 54 52 THR 55 53 LEU 56 54 GLY 57 55 LEU 58 56 PHE 59 57 ASP 60 58 THR 61 59 ALA 62 60 GLY 63 61 GLN 64 62 GLU 65 63 ASP 66 64 TYR 67 65 ASP 68 66 ARG 69 67 LEU 70 68 ARG 71 69 PRO 72 70 LEU 73 71 SER 74 72 TYR 75 73 PRO 76 74 GLN 77 75 THR 78 76 ASP 79 77 VAL 80 78 PHE 81 79 LEU 82 80 VAL 83 81 CYS 84 82 PHE 85 83 SER 86 84 VAL 87 85 VAL 88 86 SER 89 87 PRO 90 88 SER 91 89 SER 92 90 PHE 93 91 GLU 94 92 ASN 95 93 VAL 96 94 LYS 97 95 GLU 98 96 LYS 99 97 TRP 100 98 VAL 101 99 PRO 102 100 GLU 103 101 ILE 104 102 THR 105 103 HIS 106 104 HIS 107 105 CYS 108 106 PRO 109 107 LYS 110 108 THR 111 109 PRO 112 110 PHE 113 111 LEU 114 112 LEU 115 113 VAL 116 114 GLY 117 115 THR 118 116 GLN 119 117 ILE 120 118 ASP 121 119 LEU 122 120 ARG 123 121 ASP 124 122 ASP 125 123 PRO 126 124 SER 127 125 THR 128 126 ILE 129 127 GLU 130 128 LYS 131 129 LEU 132 130 ALA 133 131 LYS 134 132 ASN 135 133 LYS 136 134 GLN 137 135 LYS 138 136 PRO 139 137 ILE 140 138 THR 141 139 PRO 142 140 GLU 143 141 THR 144 142 ALA 145 143 GLU 146 144 LYS 147 145 LEU 148 146 ALA 149 147 ARG 150 148 ASP 151 149 LEU 152 150 LYS 153 151 ALA 154 152 VAL 155 153 LYS 156 154 TYR 157 155 VAL 158 156 GLU 159 157 CYS 160 158 SER 161 159 ALA 162 160 LEU 163 161 THR 164 162 GLN 165 163 LYS 166 164 GLY 167 165 LEU 168 166 LYS 169 167 ASN 170 168 VAL 171 169 PHE 172 170 ASP 173 171 GLU 174 172 ALA 175 173 ILE 176 174 LEU 177 175 ALA 178 176 ALA 179 177 LEU 180 178 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Cdc42Hs Humans 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 $Cdc42Hs 'recombinant technology' . Escherichia coli . pET-15b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Cdc42Hs 1.0 mM '[U-13C; U-15N]' GMPPCP 155 uM 'natural abundance' imidazole 20 mM 'natural abundance' 'magnesium chloride' 5 mM 'natural abundance' DSS 20 uM 'natural abundance' 'sodium azide' 0.04 %w/v 'natural abundance' H2O 92 % 'natural abundance' D2O 8 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Cdc42Hs 0.88 mM [U-15N] GMPPCP 155 uM 'natural abundance' imidazole 20 mM 'natural abundance' 'magnesium chloride' 5 mM 'natural abundance' DSS 20 uM 'natural abundance' 'sodium azide' 0.04 %w/v 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Cdc42Hs 0.88 mM 'U-[15N,2H]; IleD1,Leu,Val-[13CHD2]' GMPPCP 155 uM [U-15N] imidazole 20 mM 'natural abundance' 'magnesium chloride' 5 mM 'natural abundance' DSS 20 uM 'natural abundance' 'sodium azide' 0.04 %w/v 'natural abundance' H2O 98 % 'natural abundance' D2O 2 % 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Cdc42Hs 1.0 mM '[U-10% 13C; U-100% 15N]' GMPPCP 155 uM 'natural abundance' imidazole 20 mM 'natural abundance' 'magnesium chloride' 5 uM 'natural abundance' DSS 20 %w/v 'natural abundance' 'sodium azide' 0.04 mM 'natural abundance' H2O 92 % 'natural abundance' D2O 8 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_Felix _Saveframe_category software _Name FELIX _Version . loop_ _Vendor _Address _Electronic_address 'Accelrys Software Inc.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'peak picking' stop_ _Details . save_ save_in_house_software _Saveframe_category software _Name in_house_software _Version . loop_ _Vendor _Address _Electronic_address wandlab.org . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 750 _Details . save_ save_spectrometer_2 _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_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _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_H(C)CH-COSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(C)CH-COSY' _Sample_label $sample_1 save_ save_3D_H(C)CH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(C)CH-TOCSY' _Sample_label $sample_1 save_ save_3D_methyl_(H)CCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D methyl (H)CCH-TOCSY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_4 save_ save_T1_N-H_relaxation_9 _Saveframe_category NMR_applied_experiment _Experiment_name 'T1 N-H relaxation' _Sample_label $sample_2 save_ save_T1_N-H_relaxation_10 _Saveframe_category NMR_applied_experiment _Experiment_name 'T1 N-H relaxation' _Sample_label $sample_2 save_ save_T2_N-H_relaxation_11 _Saveframe_category NMR_applied_experiment _Experiment_name 'T2 N-H relaxation' _Sample_label $sample_2 save_ save_T2_N-H_relaxation_12 _Saveframe_category NMR_applied_experiment _Experiment_name 'T2 N-H relaxation' _Sample_label $sample_2 save_ save_NOE_N-H_relaxation_13 _Saveframe_category NMR_applied_experiment _Experiment_name 'NOE N-H relaxation' _Sample_label $sample_2 save_ save_NOE_N-H_relaxation_14 _Saveframe_category NMR_applied_experiment _Experiment_name 'NOE N-H relaxation' _Sample_label $sample_2 save_ save_T1_CHD2_relaxation_15 _Saveframe_category NMR_applied_experiment _Experiment_name 'T1 CHD2 relaxation' _Sample_label $sample_3 save_ save_T1_CHD2_relaxation_16 _Saveframe_category NMR_applied_experiment _Experiment_name 'T1 CHD2 relaxation' _Sample_label $sample_3 save_ save_T1rho_CHD2_relaxation_17 _Saveframe_category NMR_applied_experiment _Experiment_name 'T1rho CHD2 relaxation' _Sample_label $sample_3 save_ save_T1rho_CHD2_relaxation_18 _Saveframe_category NMR_applied_experiment _Experiment_name 'T1rho CHD2 relaxation' _Sample_label $sample_3 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 . pH pressure 1 . atm temperature 298.15 . 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' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D H(C)CH-COSY' '3D H(C)CH-TOCSY' '3D methyl (H)CCH-TOCSY' stop_ loop_ _Sample_label $sample_1 $sample_4 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Cdc42Hs _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 3 MET H H 8.41 0.004 1 2 1 3 MET HE H 2.05 0.001 1 3 1 3 MET CA C 55.62 0.072 1 4 1 3 MET CB C 32.92 0.073 1 5 1 3 MET CE C 16.82 0.001 1 6 1 3 MET N N 122 0.02 1 7 2 4 GLN H H 8.5 0.004 1 8 2 4 GLN N N 121.7 0.03 1 9 3 5 THR H H 8.22 0.005 1 10 3 5 THR HG2 H 1.14 0.006 1 11 3 5 THR CA C 61.52 0.152 1 12 3 5 THR CB C 69.99 0.023 1 13 3 5 THR CG2 C 21.42 0.065 1 14 3 5 THR N N 117.2 0.04 1 15 4 6 ILE H H 9.08 0.005 1 16 4 6 ILE HG2 H 0.67 0.005 1 17 4 6 ILE HD1 H 0.77 0.008 1 18 4 6 ILE CA C 59.78 0.071 1 19 4 6 ILE CB C 40.64 0.071 1 20 4 6 ILE CG2 C 18.26 0.026 1 21 4 6 ILE CD1 C 14.3 0.053 1 22 4 6 ILE N N 127.8 0.09 1 23 5 7 LYS H H 10.65 0.006 1 24 5 7 LYS N N 131.8 0.05 1 25 6 8 CYS H H 9.53 0.004 1 26 6 8 CYS N N 132 0.06 1 27 7 9 VAL H H 7.64 0.004 1 28 7 9 VAL HG1 H 0.8 0.005 1 29 7 9 VAL HG2 H 1.11 0.009 1 30 7 9 VAL CA C 60.55 0.188 1 31 7 9 VAL CB C 33.59 0.086 1 32 7 9 VAL CG1 C 23.54 0.028 1 33 7 9 VAL CG2 C 22.16 0.060 1 34 7 9 VAL N N 128.8 0.04 1 35 8 10 VAL H H 8.36 0.004 1 36 8 10 VAL HG1 H 0.93 0.005 1 37 8 10 VAL HG2 H 1.07 0.005 1 38 8 10 VAL CA C 61.17 0.073 1 39 8 10 VAL CB C 33.18 0.21 1 40 8 10 VAL CG1 C 22.88 0.010 1 41 8 10 VAL CG2 C 22.15 0.028 1 42 8 10 VAL N N 126.9 0.03 1 43 9 11 VAL H H 8.82 0.004 1 44 9 11 VAL HG1 H 1.1 0.006 1 45 9 11 VAL HG2 H 0.67 0.003 1 46 9 11 VAL CA C 58.37 0.116 1 47 9 11 VAL CB C 35.43 0.050 1 48 9 11 VAL CG1 C 21.33 0.036 1 49 9 11 VAL CG2 C 19.92 0.040 1 50 9 11 VAL N N 116.6 0.05 1 51 10 12 GLY H H 6.66 0.003 1 52 10 12 GLY N N 106.9 0.05 1 53 11 13 ASP H H 8.3 0.004 1 54 11 13 ASP N N 118.1 0.05 1 55 12 14 GLY H H 8.64 0.001 1 56 12 14 GLY N N 103.2 0.03 1 57 13 15 ALA HB H 1.57 0.005 1 58 13 15 ALA CA C 53.88 0.049 1 59 13 15 ALA CB C 18.32 0.041 1 60 17 19 THR H H 9.19 0.006 1 61 17 19 THR HG2 H 0 0.005 1 62 17 19 THR CA C 67.33 0.067 1 63 17 19 THR CB C 67.95 0.013 1 64 17 19 THR CG2 C 22.42 0.046 1 65 17 19 THR N N 118.7 0.06 1 66 18 20 CYS H H 9.52 0.004 1 67 18 20 CYS N N 120 0.03 1 68 19 21 LEU H H 8.08 0.006 1 69 19 21 LEU HD1 H 0.81 0.004 1 70 19 21 LEU HD2 H 0.73 0.005 1 71 19 21 LEU CA C 59.54 0.043 1 72 19 21 LEU CB C 41.79 0.061 1 73 19 21 LEU CD1 C 27 0.031 1 74 19 21 LEU CD2 C 26.54 0.038 1 75 19 21 LEU N N 121.5 0.08 1 76 20 22 LEU H H 7.36 0.005 1 77 20 22 LEU HD1 H 0.87 0.002 1 78 20 22 LEU HD2 H 0.9 0.004 1 79 20 22 LEU CA C 57.77 0.067 1 80 20 22 LEU CB C 41.65 0.058 1 81 20 22 LEU CD1 C 25.38 0.158 1 82 20 22 LEU CD2 C 24.21 0.039 1 83 20 22 LEU N N 118 0.04 1 84 21 23 ILE H H 8.84 0.004 1 85 21 23 ILE HG2 H 0.77 0.006 1 86 21 23 ILE HD1 H 0.62 0.003 1 87 21 23 ILE CA C 65.8 0.071 1 88 21 23 ILE CB C 38.61 0.033 1 89 21 23 ILE CG2 C 17.46 0.043 1 90 21 23 ILE CD1 C 14.11 0.056 1 91 21 23 ILE N N 121.5 0.05 1 92 22 24 SER H H 8.93 0.004 1 93 22 24 SER N N 119 0.04 1 94 23 25 TYR H H 7.95 0.004 1 95 23 25 TYR N N 117.6 0.06 1 96 24 26 THR H H 7.79 0.003 1 97 24 26 THR HG2 H 1.08 0.013 1 98 24 26 THR CA C 64.28 0.163 1 99 24 26 THR CB C 69.56 0.162 1 100 24 26 THR CG2 C 23.03 0.040 1 101 24 26 THR N N 106.2 0.05 1 102 25 27 THR H H 8.15 0.004 1 103 25 27 THR HG2 H 1.24 0.007 1 104 25 27 THR CA C 62.02 0.092 1 105 25 27 THR CB C 71.86 0.236 1 106 25 27 THR CG2 C 20.9 0.096 1 107 25 27 THR N N 110.1 0.03 1 108 26 28 ASN H H 7.62 0.005 1 109 26 28 ASN N N 116.1 0.07 1 110 27 29 LYS H H 7.71 0.004 1 111 27 29 LYS N N 118.7 0.06 1 112 28 30 PHE H H 8.57 0.004 1 113 28 30 PHE N N 126 0.05 1 114 30 32 SER H H 8.1 0.004 1 115 30 32 SER N N 117.2 0.08 1 116 31 33 GLU H H 8.14 0.002 1 117 31 33 GLU N N 120.5 0.02 1 118 33 35 VAL H H 7.9 0.010 1 119 33 35 VAL CA C 58.55 0.001 1 120 33 35 VAL CB C 32.39 0.001 1 121 33 35 VAL N N 126.4 0.02 1 122 41 43 ALA HB H 1.16 0.005 1 123 41 43 ALA CA C 50.98 0.029 1 124 41 43 ALA CB C 20.99 0.070 1 125 42 44 VAL H H 8.79 0.007 1 126 42 44 VAL HG1 H 0.97 0.003 1 127 42 44 VAL HG2 H 0.97 0.001 1 128 42 44 VAL CA C 59.53 0.097 1 129 42 44 VAL CB C 35.68 0.080 1 130 42 44 VAL CG1 C 21.06 0.076 1 131 42 44 VAL CG2 C 20.5 0.016 1 132 42 44 VAL N N 118.2 0.07 1 133 43 45 THR H H 8.63 0.004 1 134 43 45 THR HG2 H 1.12 0.006 1 135 43 45 THR CA C 62.43 0.058 1 136 43 45 THR CB C 69.26 0.140 1 137 43 45 THR CG2 C 21.84 0.049 1 138 43 45 THR N N 121.4 0.04 1 139 44 46 VAL H H 9.46 0.001 1 140 44 46 VAL HG1 H 0.97 0.007 1 141 44 46 VAL HG2 H 0.96 0.002 1 142 44 46 VAL CA C 60.63 0.033 1 143 44 46 VAL CB C 35.35 0.021 1 144 44 46 VAL CG1 C 21.67 0.028 1 145 44 46 VAL CG2 C 21.1 0.006 1 146 44 46 VAL N N 127.9 0.01 1 147 45 47 MET H H 8.53 0.006 1 148 45 47 MET HE H 1.85 0.001 1 149 45 47 MET CA C 53.35 0.209 1 150 45 47 MET CB C 32.14 0.118 1 151 45 47 MET CE C 16.19 0.001 1 152 45 47 MET N N 123.3 0.07 1 153 46 48 ILE H H 9.15 0.006 1 154 46 48 ILE HG2 H 0.73 0.006 1 155 46 48 ILE HD1 H 0.6 0.009 1 156 46 48 ILE CA C 59.76 0.085 1 157 46 48 ILE CB C 39.00 0.075 1 158 46 48 ILE CG2 C 16.53 0.048 1 159 46 48 ILE CD1 C 11.79 0.057 1 160 46 48 ILE N N 125.8 0.03 1 161 47 49 GLY H H 9.42 0.006 1 162 47 49 GLY N N 119.7 0.03 1 163 48 50 GLY H H 8.64 0.005 1 164 48 50 GLY N N 105.1 0.06 1 165 49 51 GLU H H 7.75 0.004 1 166 49 51 GLU N N 121 0.05 1 167 51 53 TYR H H 9.2 0.006 1 168 51 53 TYR N N 122 0.05 1 169 52 54 THR H H 8.9 0.010 1 170 52 54 THR HG2 H 1.1 0.003 1 171 52 54 THR CA C 62.46 0.051 1 172 52 54 THR CB C 69.32 0.103 1 173 52 54 THR CG2 C 21.96 0.001 1 174 52 54 THR N N 118.4 0.04 1 175 53 55 LEU H H 9.5 0.005 1 176 53 55 LEU HD1 H 0.91 0.002 1 177 53 55 LEU HD2 H 1 0.002 1 178 53 55 LEU CA C 53.56 0.069 1 179 53 55 LEU CB C 44.26 0.042 1 180 53 55 LEU CD1 C 23.84 0.044 1 181 53 55 LEU CD2 C 26.71 0.068 1 182 53 55 LEU N N 131.6 0.06 1 183 54 56 GLY H H 9.73 0.005 1 184 54 56 GLY N N 116 0.06 1 185 55 57 LEU H H 8.72 0.007 1 186 55 57 LEU CA C 53.88 0.045 1 187 55 57 LEU CB C 43.75 0.001 1 188 55 57 LEU N N 125.8 0.03 1 189 63 65 ASP H H 8.66 0.004 1 190 63 65 ASP N N 117.9 0.02 1 191 64 66 TYR H H 7.93 0.010 1 192 64 66 TYR N N 116.7 0.11 1 193 65 67 ASP H H 8.15 0.001 1 194 65 67 ASP N N 122.5 0.12 1 195 70 72 LEU H H 7.5 0.004 1 196 70 72 LEU HD1 H 0.99 0.001 1 197 70 72 LEU CA C 57.06 0.141 1 198 70 72 LEU CB C 40.04 0.049 1 199 70 72 LEU CD1 C 25.38 0.001 1 200 70 72 LEU N N 118.6 0.05 1 201 71 73 SER H H 8.01 0.004 1 202 71 73 SER N N 112.8 0.06 1 203 72 74 TYR H H 7.22 0.005 1 204 72 74 TYR N N 119.9 0.11 1 205 74 76 GLN H H 9.05 0.005 1 206 74 76 GLN N N 115 0.02 1 207 75 77 THR H H 7.45 0.005 1 208 75 77 THR HG2 H 1.26 0.006 1 209 75 77 THR CA C 67.66 0.032 1 210 75 77 THR CB C 67.09 0.116 1 211 75 77 THR CG2 C 21.36 0.016 1 212 75 77 THR N N 117 0.07 1 213 76 78 ASP H H 8.91 0.004 1 214 76 78 ASP N N 124.5 0.06 1 215 77 79 VAL H H 7.63 0.004 1 216 77 79 VAL HG1 H 0.71 0.006 1 217 77 79 VAL HG2 H 0.91 0.005 1 218 77 79 VAL CA C 60.27 0.150 1 219 77 79 VAL CB C 32.91 0.096 1 220 77 79 VAL CG1 C 17.37 0.026 1 221 77 79 VAL CG2 C 20.58 0.018 1 222 77 79 VAL N N 116.6 0.08 1 223 78 80 PHE H H 8.36 0.007 1 224 78 80 PHE N N 122.5 0.10 1 225 79 81 LEU H H 9.02 0.004 1 226 79 81 LEU HD1 H 0.29 0.007 1 227 79 81 LEU HD2 H 0.47 0.005 1 228 79 81 LEU CA C 53.69 0.015 1 229 79 81 LEU CB C 41.30 0.078 1 230 79 81 LEU CD1 C 25.68 0.071 1 231 79 81 LEU CD2 C 23.29 0.042 1 232 79 81 LEU N N 119.6 0.05 1 233 80 82 VAL H H 8.83 0.004 1 234 80 82 VAL HG1 H 0.86 0.001 1 235 80 82 VAL HG2 H 0.67 0.004 1 236 80 82 VAL CA C 61.37 0.179 1 237 80 82 VAL CB C 30.97 0.070 1 238 80 82 VAL CG1 C 23.09 0.013 1 239 80 82 VAL CG2 C 21.25 0.044 1 240 80 82 VAL N N 125.2 0.06 1 241 81 83 CYS H H 8.94 0.006 1 242 81 83 CYS N N 124.3 0.04 1 243 82 84 PHE H H 9.01 0.005 1 244 82 84 PHE N N 118.3 0.06 1 245 84 86 VAL H H 8.65 0.002 1 246 84 86 VAL HG1 H 1.01 0.007 1 247 84 86 VAL HG2 H 0.9 0.005 1 248 84 86 VAL CA C 63.82 0.094 1 249 84 86 VAL CB C 30.42 0.101 1 250 84 86 VAL CG1 C 20.76 0.024 1 251 84 86 VAL CG2 C 20.44 0.053 1 252 84 86 VAL N N 121 0.07 1 253 85 87 VAL H H 7.65 0.004 1 254 85 87 VAL HG1 H 0.72 0.013 1 255 85 87 VAL HG2 H 0.66 0.005 1 256 85 87 VAL CA C 59.98 0.233 1 257 85 87 VAL CB C 30.27 0.137 1 258 85 87 VAL CG1 C 18.58 0.023 1 259 85 87 VAL CG2 C 21.36 0.034 1 260 85 87 VAL N N 108.3 0.08 1 261 86 88 SER H H 7.83 0.005 1 262 86 88 SER N N 113 0.08 1 263 88 90 SER H H 8.93 0.004 1 264 88 90 SER N N 113.8 0.05 1 265 89 91 SER H H 8.05 0.004 1 266 89 91 SER N N 121.5 0.02 1 267 90 92 PHE H H 7.51 0.004 1 268 90 92 PHE N N 125.6 0.04 1 269 91 93 GLU H H 8.26 0.005 1 270 91 93 GLU N N 120 0.06 1 271 92 94 ASN H H 8.15 0.006 1 272 92 94 ASN N N 114.6 0.14 1 273 93 95 VAL H H 7.9 0.005 1 274 93 95 VAL HG1 H 0.85 0.012 1 275 93 95 VAL HG2 H 1.25 0.025 1 276 93 95 VAL CA C 68.50 0.133 1 277 93 95 VAL CB C 31.03 0.110 1 278 93 95 VAL CG1 C 22.56 0.036 1 279 93 95 VAL CG2 C 22.72 0.004 1 280 93 95 VAL N N 124.6 0.05 1 281 94 96 LYS H H 6.69 0.005 1 282 94 96 LYS N N 115.6 0.07 1 283 95 97 GLU H H 7.66 0.003 1 284 95 97 GLU N N 112.8 0.11 1 285 96 98 LYS H H 8.1 0.004 1 286 96 98 LYS N N 116.1 0.02 1 287 97 99 TRP H H 7.79 0.006 1 288 97 99 TRP N N 120.5 0.10 1 289 98 100 VAL H H 8.64 0.004 1 290 98 100 VAL HG1 H 0.75 0.006 1 291 98 100 VAL HG2 H 0.63 0.006 1 292 98 100 VAL CA C 68.43 0.088 1 293 98 100 VAL CB C 28.85 0.093 1 294 98 100 VAL CG1 C 21.62 0.027 1 295 98 100 VAL CG2 C 25.42 0.080 1 296 98 100 VAL N N 117.2 0.06 1 297 100 102 GLU H H 7.57 0.004 1 298 100 102 GLU N N 117.4 0.04 1 299 101 103 ILE H H 8.29 0.004 1 300 101 103 ILE HG2 H 0.1 0.006 1 301 101 103 ILE HD1 H -0.11 0.006 1 302 101 103 ILE CA C 65.88 0.218 1 303 101 103 ILE CB C 36.21 0.049 1 304 101 103 ILE CG2 C 18.18 0.038 1 305 101 103 ILE CD1 C 14.28 0.036 1 306 101 103 ILE N N 113.5 0.06 1 307 102 104 THR H H 7.9 0.005 1 308 102 104 THR HG2 H 1.27 0.006 1 309 102 104 THR CA C 65.07 0.050 1 310 102 104 THR CB C 69.43 0.147 1 311 102 104 THR CG2 C 21.66 0.056 1 312 102 104 THR N N 113.4 0.03 1 313 103 105 HIS H H 7.63 0.004 1 314 103 105 HIS N N 119.5 0.04 1 315 104 106 HIS H H 7.25 0.005 1 316 104 106 HIS N N 114 0.02 1 317 105 107 CYS H H 8.53 0.005 1 318 105 107 CYS N N 117.6 0.08 1 319 107 109 LYS H H 8.84 0.004 1 320 107 109 LYS N N 116.4 0.05 1 321 108 110 THR H H 7.64 0.004 1 322 108 110 THR CA C 61.25 0.023 1 323 108 110 THR CB C 69.86 0.011 1 324 108 110 THR N N 120.7 0.04 1 325 110 112 PHE H H 8.22 0.004 1 326 110 112 PHE N N 112.7 0.05 1 327 111 113 LEU H H 8.1 0.004 1 328 111 113 LEU HD1 H 0.59 0.001 1 329 111 113 LEU HD2 H 0.6 0.001 1 330 111 113 LEU CA C 54.08 0.299 1 331 111 113 LEU CB C 44.01 0.192 1 332 111 113 LEU CD1 C 25.22 0.008 1 333 111 113 LEU CD2 C 26.04 0.005 1 334 111 113 LEU N N 122.4 0.01 1 335 112 114 LEU H H 8.71 0.004 1 336 112 114 LEU HD1 H 1.22 0.002 1 337 112 114 LEU HD2 H 1.07 0.002 1 338 112 114 LEU CA C 53.85 0.153 1 339 112 114 LEU CB C 44.24 0.236 1 340 112 114 LEU CD1 C 25.81 0.025 1 341 112 114 LEU CD2 C 26.01 0.035 1 342 112 114 LEU N N 120.2 0.03 1 343 113 115 VAL H H 9.21 0.004 1 344 113 115 VAL HG1 H 0.41 0.006 1 345 113 115 VAL HG2 H 0.5 0.008 1 346 113 115 VAL CA C 59.71 0.089 1 347 113 115 VAL CB C 33.94 0.057 1 348 113 115 VAL CG1 C 20.78 0.046 1 349 113 115 VAL CG2 C 21.79 0.039 1 350 113 115 VAL N N 126.3 0.03 1 351 114 116 GLY H H 8.82 0.005 1 352 114 116 GLY N N 115.6 0.11 1 353 115 117 THR H H 9.29 0.004 1 354 115 117 THR HG2 H 1.32 0.003 1 355 115 117 THR CA C 59.33 0.102 1 356 115 117 THR CB C 70.22 0.128 1 357 115 117 THR CG2 C 22.33 0.006 1 358 115 117 THR N N 116 0.05 1 359 116 118 GLN H H 9.4 0.002 1 360 116 118 GLN N N 108.8 0.05 1 361 117 119 ILE H H 7.69 0.004 1 362 117 119 ILE HG2 H 0.82 0.007 1 363 117 119 ILE HD1 H 0.56 0.008 1 364 117 119 ILE CA C 64.83 0.213 1 365 117 119 ILE CB C 36.57 0.068 1 366 117 119 ILE CG2 C 16.71 0.043 1 367 117 119 ILE CD1 C 13.35 0.048 1 368 117 119 ILE N N 106.6 0.06 1 369 118 120 ASP H H 8.75 0.005 1 370 118 120 ASP N N 119.5 0.06 1 371 119 121 LEU H H 7.94 0.004 1 372 119 121 LEU HD1 H 1 0.007 1 373 119 121 LEU HD2 H 0.84 0.047 1 374 119 121 LEU CA C 55.38 0.010 1 375 119 121 LEU CB C 41.77 0.144 1 376 119 121 LEU CD1 C 25.38 0.063 1 377 119 121 LEU CD2 C 21.92 0.409 1 378 119 121 LEU N N 118.2 0.04 1 379 120 122 ARG H H 7.29 0.004 1 380 120 122 ARG N N 117.3 0.05 1 381 121 123 ASP H H 7.14 0.004 1 382 121 123 ASP N N 112 0.05 1 383 122 124 ASP H H 7.28 0.005 1 384 122 124 ASP N N 122.6 0.04 1 385 124 126 SER H H 8.37 0.005 1 386 124 126 SER N N 112.9 0.03 1 387 125 127 THR H H 7.95 0.002 1 388 125 127 THR CA C 67.14 0.070 1 389 125 127 THR CB C 67.6 0.175 1 390 125 127 THR N N 122.2 0.03 1 391 126 128 ILE H H 8.26 0.005 1 392 126 128 ILE HG2 H 0.96 0.006 1 393 126 128 ILE HD1 H 0.82 0.005 1 394 126 128 ILE CA C 65.02 0.135 1 395 126 128 ILE CB C 37.31 0.055 1 396 126 128 ILE CG2 C 17.25 0.025 1 397 126 128 ILE CD1 C 12.2 0.048 1 398 126 128 ILE N N 121.9 0.01 1 399 127 129 GLU H H 8.28 0.004 1 400 127 129 GLU N N 120.7 0.08 1 401 128 130 LYS H H 7.94 0.015 1 402 128 130 LYS N N 121.1 0.04 1 403 129 131 LEU H H 8.17 0.004 1 404 129 131 LEU HD1 H 0.69 0.002 1 405 129 131 LEU HD2 H 0.82 0.003 1 406 129 131 LEU CA C 58.34 0.803 1 407 129 131 LEU CB C 41.85 0.056 1 408 129 131 LEU CD1 C 25.2 0.023 1 409 129 131 LEU CD2 C 22.54 0.022 1 410 129 131 LEU N N 119 0.02 1 411 130 132 ALA H H 8.52 0.005 1 412 130 132 ALA HB H 1.62 0.005 1 413 130 132 ALA CA C 55.37 0.105 1 414 130 132 ALA CB C 17.87 0.170 1 415 130 132 ALA N N 123 0.10 1 416 131 133 LYS H H 8.1 0.004 1 417 131 133 LYS N N 120.8 0.02 1 418 132 134 ASN H H 7.45 0.004 1 419 132 134 ASN N N 116.1 0.03 1 420 134 136 GLN H H 8.14 0.004 1 421 134 136 GLN N N 116.4 0.02 1 422 135 137 LYS H H 8.01 0.004 1 423 135 137 LYS N N 119.1 0.02 1 424 137 139 ILE H H 9.16 0.004 1 425 137 139 ILE HG2 H 0.28 0.007 1 426 137 139 ILE HD1 H 0.5 0.005 1 427 137 139 ILE CA C 59.98 0.128 1 428 137 139 ILE CB C 37.11 0.057 1 429 137 139 ILE CG2 C 17.36 0.025 1 430 137 139 ILE CD1 C 10.7 0.034 1 431 137 139 ILE N N 122.6 0.06 1 432 138 140 THR H H 8.03 0.002 1 433 138 140 THR HG2 H 1.32 0.005 1 434 138 140 THR CA C 58.17 0.052 1 435 138 140 THR CB C 68.42 0.148 1 436 138 140 THR CG2 C 22.15 0.043 1 437 138 140 THR N N 118.9 0.07 1 438 140 142 GLU H H 8.6 0.004 1 439 140 142 GLU N N 115.2 0.01 1 440 141 143 THR H H 7.61 0.004 1 441 141 143 THR HG2 H 1.17 0.005 1 442 141 143 THR CA C 65.89 0.259 1 443 141 143 THR CB C 68.41 0.228 1 444 141 143 THR CG2 C 22.29 0.016 1 445 141 143 THR N N 118.6 0.06 1 446 142 144 ALA H H 7.61 0.004 1 447 142 144 ALA HB H 0.64 0.007 1 448 142 144 ALA CA C 55.23 0.085 1 449 142 144 ALA CB C 17.28 0.193 1 450 142 144 ALA N N 126 0.02 1 451 143 145 GLU H H 8.83 0.004 1 452 143 145 GLU N N 118.4 0.04 1 453 144 146 LYS H H 7.33 0.004 1 454 144 146 LYS N N 119.3 0.03 1 455 145 147 LEU H H 7.34 0.005 1 456 145 147 LEU HD1 H 0.79 0.005 1 457 145 147 LEU HD2 H 0.12 0.004 1 458 145 147 LEU CA C 57.89 0.102 1 459 145 147 LEU CB C 40.67 0.273 1 460 145 147 LEU CD1 C 23.42 0.039 1 461 145 147 LEU CD2 C 25.99 0.084 1 462 145 147 LEU N N 120.1 0.03 1 463 146 148 ALA H H 8.51 0.005 1 464 146 148 ALA HB H 1.46 0.013 1 465 146 148 ALA CA C 55.51 0.116 1 466 146 148 ALA CB C 18.32 0.136 1 467 146 148 ALA N N 119.2 0.06 1 468 147 149 ARG H H 7.75 0.004 1 469 147 149 ARG N N 116.5 0.04 1 470 148 150 ASP H H 8.48 0.005 1 471 148 150 ASP N N 122.4 0.04 1 472 149 151 LEU H H 8.39 0.005 1 473 149 151 LEU HD1 H 0.75 0.003 1 474 149 151 LEU HD2 H 0.83 0.002 1 475 149 151 LEU CA C 54.20 0.153 1 476 149 151 LEU CB C 41.83 0.087 1 477 149 151 LEU CD1 C 27.15 0.030 1 478 149 151 LEU CD2 C 21.83 0.031 1 479 149 151 LEU N N 115.7 0.03 1 480 150 152 LYS H H 7.67 0.004 1 481 150 152 LYS N N 112.2 0.05 1 482 151 153 ALA H H 8.29 0.004 1 483 151 153 ALA HB H 1.11 0.007 1 484 151 153 ALA CA C 51.25 0.119 1 485 151 153 ALA CB C 20.30 0.127 1 486 151 153 ALA N N 120.1 0.01 1 487 152 154 VAL H H 8.74 0.004 1 488 152 154 VAL HG1 H 0.92 0.004 1 489 152 154 VAL HG2 H 1.05 0.005 1 490 152 154 VAL CA C 66.00 0.207 1 491 152 154 VAL CB C 32.64 0.180 1 492 152 154 VAL CG1 C 21.31 0.047 1 493 152 154 VAL CG2 C 22.89 0.008 1 494 152 154 VAL N N 121.2 0.05 1 495 153 155 LYS H H 6.92 0.004 1 496 153 155 LYS N N 108.9 0.05 1 497 154 156 TYR H H 8.65 0.005 1 498 154 156 TYR N N 120.8 0.03 1 499 155 157 VAL H H 8.29 0.004 1 500 155 157 VAL HG1 H 0.66 0.006 1 501 155 157 VAL HG2 H 0.61 0.008 1 502 155 157 VAL CA C 58.32 0.181 1 503 155 157 VAL CB C 35.08 0.031 1 504 155 157 VAL CG1 C 22.79 0.070 1 505 155 157 VAL CG2 C 21.28 0.036 1 506 155 157 VAL N N 121.9 0.03 1 507 156 158 GLU H H 8.09 0.004 1 508 156 158 GLU N N 113.5 0.04 1 509 157 159 CYS H H 8.87 0.005 1 510 157 159 CYS N N 112.3 0.03 1 511 158 160 SER H H 8.32 0.004 1 512 158 160 SER N N 110.7 0.03 1 513 159 161 ALA H H 9.36 0.008 1 514 159 161 ALA HB H 1.78 0.024 1 515 159 161 ALA CA C 54.63 0.122 1 516 159 161 ALA CB C 19.49 0.178 1 517 159 161 ALA N N 132.8 0.05 1 518 160 162 LEU H H 7.42 0.005 1 519 160 162 LEU HD1 H 0 0.004 1 520 160 162 LEU HD2 H 0.53 0.014 1 521 160 162 LEU CA C 57.56 0.065 1 522 160 162 LEU CB C 43.33 0.078 1 523 160 162 LEU CD1 C 23.16 0.074 1 524 160 162 LEU CD2 C 25.62 0.051 1 525 160 162 LEU N N 119 0.03 1 526 161 163 THR H H 8.13 0.005 1 527 161 163 THR CA C 61.30 0.117 1 528 161 163 THR CB C 69.46 0.150 1 529 161 163 THR N N 106.7 0.06 1 530 162 164 GLN H H 7.5 0.004 1 531 162 164 GLN N N 113.3 0.04 1 532 163 165 LYS H H 7.86 0.005 1 533 163 165 LYS N N 124.6 0.03 1 534 164 166 GLY H H 9.18 0.005 1 535 164 166 GLY N N 114.9 0.04 1 536 165 167 LEU H H 7.43 0.003 1 537 165 167 LEU HD1 H 1.16 0.002 1 538 165 167 LEU HD2 H 1.08 0.005 1 539 165 167 LEU CA C 58.71 0.141 1 540 165 167 LEU CB C 43.73 0.119 1 541 165 167 LEU CD1 C 25.64 0.010 1 542 165 167 LEU CD2 C 26.44 0.066 1 543 165 167 LEU N N 121.5 0.07 1 544 166 168 LYS H H 8.6 0.005 1 545 166 168 LYS N N 117.3 0.04 1 546 167 169 ASN H H 8.15 0.005 1 547 167 169 ASN N N 115.2 0.10 1 548 168 170 VAL H H 7.37 0.004 1 549 168 170 VAL HG1 H -0.13 0.006 1 550 168 170 VAL HG2 H 0.81 0.006 1 551 168 170 VAL CA C 67.03 0.168 1 552 168 170 VAL CB C 31.19 0.088 1 553 168 170 VAL CG1 C 21 0.019 1 554 168 170 VAL CG2 C 21.56 0.020 1 555 168 170 VAL N N 117.4 0.02 1 556 169 171 PHE H H 6.41 0.004 1 557 169 171 PHE N N 114.5 0.05 1 558 170 172 ASP H H 7.98 0.005 1 559 170 172 ASP N N 121.3 0.05 1 560 171 173 GLU H H 8.06 0.004 1 561 171 173 GLU N N 116.2 0.02 1 562 172 174 ALA H H 7.98 0.004 1 563 172 174 ALA HB H 1.38 0.006 1 564 172 174 ALA CA C 55.38 0.099 1 565 172 174 ALA CB C 17.79 0.180 1 566 172 174 ALA N N 124.3 0.04 1 567 173 175 ILE H H 7.7 0.007 1 568 173 175 ILE HG2 H 0.41 0.015 1 569 173 175 ILE HD1 H 0.89 0.005 1 570 173 175 ILE CA C 65.75 0.137 1 571 173 175 ILE CB C 37.52 0.053 1 572 173 175 ILE CG2 C 17.19 0.036 1 573 173 175 ILE CD1 C 14.05 0.045 1 574 173 175 ILE N N 116.6 0.01 1 575 174 176 LEU H H 7.7 0.004 1 576 174 176 LEU HD1 H 0.76 0.001 1 577 174 176 LEU HD2 H 0.75 0.002 1 578 174 176 LEU CA C 58.07 0.085 1 579 174 176 LEU CB C 41.20 0.034 1 580 174 176 LEU CD1 C 25.02 0.018 1 581 174 176 LEU CD2 C 22.56 0.019 1 582 174 176 LEU N N 116.8 0.05 1 583 175 177 ALA H H 7.97 0.004 1 584 175 177 ALA HB H 1.39 0.005 1 585 175 177 ALA CA C 53.86 0.081 1 586 175 177 ALA CB C 19.11 0.168 1 587 175 177 ALA N N 119.1 0.02 1 588 176 178 ALA H H 7.73 0.004 1 589 176 178 ALA HB H 1.37 0.007 1 590 176 178 ALA CA C 53.39 0.037 1 591 176 178 ALA CB C 19.87 0.087 1 592 176 178 ALA N N 118.4 0.01 1 593 177 179 LEU H H 7.38 0.005 1 594 177 179 LEU HD1 H 0.53 0.005 1 595 177 179 LEU HD2 H 0.66 0.006 1 596 177 179 LEU CA C 55.12 0.070 1 597 177 179 LEU CB C 42.58 0.038 1 598 177 179 LEU CD1 C 25.31 0.049 1 599 177 179 LEU CD2 C 22.01 0.036 1 600 177 179 LEU N N 116.5 0.07 1 601 178 180 GLU H H 7.39 0.004 1 602 178 180 GLU N N 124.8 0.02 1 stop_ save_ save_backbone_parameters _Saveframe_category S2_parameters _Details 'Cdc42Hs-GMPPCP backbone order parameters from T1, T2 and NOE experiments at 14.1 and 17.6 T.' loop_ _Sample_label $sample_2 $sample_2 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Mol_system_component_name Cdc42Hs _Tau_e_value_units s _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Atom_name _Model_fit _S2_value _S2_value_fit_error _Tau_e_value _Tau_e_value_fit_error _S2f_value _S2f_value_fit_error _S2s_value _S2s_value_fit_error _Tau_s_value _Tau_s_value_fit_error _S2H_value _S2H_value_fit_error _S2N_value _S2N_value_fit_error 3 MET N . 0.769 0.016 5.0E-10 0.41E-10 . . . . . . . . . . 4 GLN N . 0.867 0.009 5.0E-10 0.37E-10 . . . . . . . . . . 5 THR N 5 0.936 0.004 5.0E-10 0.30E-10 . . . . . . . . . . 6 ILE N 4 0.964 0.007 5.0E-10 0.34E-10 . . . . . . . . . . 7 LYS N . 0.954 0.005 1.0E-15 1.99E-11 . . . . . . . . . . 8 CYS N . 0.936 0.006 1.0E-15 1.35E-11 . . . . . . . . . . 9 VAL N . 1.000 0.006 1.0E-15 1.60E-11 . . . . . . . . . . 10 VAL N . 0.957 0.007 2.5E-12 18.40E-12 . . . . . . . . . . 12 GLY N 6 0.822 0.010 5.0E-10 0.42E-10 . . . . . . . . . . 13 ASP N 5 0.903 0.009 2.5E-11 1.68E-11 . . . . . . . . . . 14 GLY N 1 0.870 0.007 5.0E-10 0.40E-10 . . . . . . . . . . 19 THR N 4 0.905 0.005 1.0E-15 1.13E-11 . . . . . . . . . . 20 CYS N 2 0.924 0.004 1.0E-15 1.30E-11 . . . . . . . . . . 21 LEU N 1 0.970 0.005 2.5E-11 1.16E-11 . . . . . . . . . . 22 LEU N 4 0.931 0.004 1.0E-11 1.33E-11 . . . . . . . . . . 23 ILE N 4 0.870 0.007 1.0E-11 1.39E-11 . . . . . . . . . . 24 SER N 2 0.942 0.003 2.5E-12 18.00E-12 . . . . . . . . . . 25 TYR N . 0.969 0.007 5.0E-10 0.40E-10 . . . . . . . . . . 26 THR N 5 0.900 0.006 2.0E-11 1.81E-11 . . . . . . . . . . 27 THR N 2 0.904 0.005 1.3E-11 2.23E-11 . . . . . . . . . . 28 ASN N . 0.977 0.006 5.0E-10 0.39E-10 . . . . . . . . . . 29 LYS N . 0.934 0.006 5.0E-11 0.86E-11 . . . . . . . . . . 30 PHE N . 0.858 0.006 4.3E-11 1.18E-11 . . . . . . . . . . 32 SER N . 0.822 0.009 2.6E-10 0.18E-10 . . . . . . . . . . 33 GLU N . 0.868 0.008 1.6E-10 0.17E-10 . . . . . . . . . . 35 VAL N . 0.880 0.006 9.8E-11 1.46E-11 . . . . . . . . . . 45 THR N . 0.890 0.006 2.0E-11 1.65E-11 . . . . . . . . . . 46 VAL N 2 0.913 0.011 5.0E-10 0.35E-10 . . . . . . . . . . 47 MET N . 0.971 0.009 1.2E-10 0.11E-10 . . . . . . . . . . 48 ILE N . 0.840 0.007 2.8E-11 1.20E-11 . . . . . . . . . . 49 GLY N 2 0.762 0.010 2.3E-11 1.17E-11 . . . . . . . . . . 50 GLY N . 0.839 0.009 3.0E-11 1.67E-11 . . . . . . . . . . 51 GLU N . 0.928 0.005 6.8E-11 1.42E-11 . . . . . . . . . . 53 TYR N 2 0.924 0.005 5.0E-11 0.84E-11 . . . . . . . . . . 54 THR N 3 0.873 0.005 1.8E-11 1.05E-11 . . . . . . . . . . 55 LEU N . 0.940 0.006 1.0E-15 2.45E-11 . . . . . . . . . . 56 GLY N . 0.970 0.006 5.0E-10 0.39E-10 . . . . . . . . . . 57 LEU N . 0.902 0.006 2.5E-11 1.35E-11 . . . . . . . . . . 65 ASP N 8 0.964 0.006 3.1E-10 0.25E-10 . . . . . . . . . . 66 TYR N 8 0.897 0.007 4.3E-11 1.37E-11 . . . . . . . . . . 67 ASP N 8 0.989 0.008 1.0E-15 1.52E-11 . . . . . . . . . . 72 LEU N 6 0.973 0.008 1.0E-15 1.64E-11 . . . . . . . . . . 73 SER N 4 0.849 0.007 1.5E-11 1.41E-11 . . . . . . . . . . 74 TYR N 3 1.000 0.010 1.0E-15 1.97E-11 . . . . . . . . . . 76 GLN N . 0.971 0.005 1.0E-15 1.95E-11 . . . . . . . . . . 77 THR N 3 0.874 0.006 7.5E-12 12.30E-12 . . . . . . . . . . 78 ASP N . 0.996 0.004 1.0E-15 2.07E-11 . . . . . . . . . . 79 VAL N 2 0.961 0.005 2.8E-11 1.32E-11 . . . . . . . . . . 80 PHE N . 1.000 0.008 1.0E-15 1.74E-11 . . . . . . . . . . 81 LEU N . 0.894 0.005 2.5E-11 1.24E-11 . . . . . . . . . . 82 VAL N . 0.937 0.004 7.5E-12 12.70E-12 . . . . . . . . . . 83 CYS N . 0.976 0.004 1.0E-15 1.94E-11 . . . . . . . . . . 84 PHE N . 0.958 0.003 5.0E-12 15.60E-12 . . . . . . . . . . 87 VAL N . 0.964 0.006 1.0E-15 2.11E-11 . . . . . . . . . . 88 SER N 5 0.849 0.005 1.0E-11 1.09E-11 . . . . . . . . . . 90 SER N 4 0.844 0.007 2.5E-11 0.97E-11 . . . . . . . . . . 92 PHE N . 0.923 0.005 1.0E-15 1.92E-11 . . . . . . . . . . 93 GLU N 2 0.928 0.003 1.0E-15 1.89E-11 . . . . . . . . . . 94 ASN N . 0.937 0.004 5.0E-10 0.37E-10 . . . . . . . . . . 95 VAL N 4 0.902 0.004 1.0E-15 9.50E-12 . . . . . . . . . . 96 LYS N 3 0.892 0.004 3.5E-11 1.23E-11 . . . . . . . . . . 97 GLU N . 0.930 0.005 1.8E-11 2.20E-11 . . . . . . . . . . 98 LYS N . 0.981 0.006 2.6E-10 0.21E-10 . . . . . . . . . . 99 TRP N 3 0.872 0.005 5.0E-12 7.02E-12 . . . . . . . . . . 102 GLU N 3 0.870 0.006 1.0E-15 1.17E-11 . . . . . . . . . . 103 ILE N 7 0.879 0.007 2.8E-11 1.31E-11 . . . . . . . . . . 104 THR N 1 0.891 0.009 2.5E-12 10.40E-12 . . . . . . . . . . 105 HIS N 3 0.894 0.006 2.5E-12 8.98E-12 . . . . . . . . . . 106 HIS N . 0.892 0.007 4.1E-10 0.34E-10 . . . . . . . . . . 107 CYS N 3 0.754 0.011 5.0E-12 2.56E-12 . . . . . . . . . . 109 LYS N . 0.928 0.006 4.0E-11 1.43E-11 . . . . . . . . . . 110 THR N 1 0.805 0.010 2.0E-11 1.31E-11 . . . . . . . . . . 112 PHE N . 0.946 0.004 1.0E-11 1.84E-11 . . . . . . . . . . 113 LEU N 2 0.977 0.010 1.0E-15 1.05E-11 . . . . . . . . . . 114 LEU N . 0.972 0.006 1.0E-15 1.45E-11 . . . . . . . . . . 115 VAL N . 0.927 0.006 1.0E-15 1.81E-11 . . . . . . . . . . 116 GLY N 3 0.939 0.004 1.0E-11 1.60E-11 . . . . . . . . . . 117 THR N . 0.979 0.007 4.0E-10 0.32E-10 . . . . . . . . . . 118 GLN N 2 0.908 0.006 1.0E-15 1.87E-11 . . . . . . . . . . 119 ILE N . 0.913 0.006 7.5E-12 15.70E-12 . . . . . . . . . . 120 ASP N 2 1.000 0.008 1.0E-15 2.12E-11 . . . . . . . . . . 121 LEU N 4 0.862 0.008 1.3E-11 0.57E-11 . . . . . . . . . . 122 ARG N 3 0.943 0.006 1.0E-15 1.75E-11 . . . . . . . . . . 123 ASP N . 0.799 0.015 3.5E-11 1.46E-11 . . . . . . . . . . 124 ASP N . 0.951 0.005 1.0E-15 1.23E-11 . . . . . . . . . . 126 SER N . 0.881 0.007 3.0E-11 1.40E-11 . . . . . . . . . . 127 THR N 2 0.896 0.005 7.5E-12 14.90E-12 . . . . . . . . . . 128 ILE N . 0.977 0.004 5.0E-10 0.38E-10 . . . . . . . . . . 129 GLU N . 0.993 0.005 1.9E-10 0.18E-10 . . . . . . . . . . 130 LYS N . 0.960 0.005 3.8E-11 1.76E-11 . . . . . . . . . . 131 LEU N . 0.970 0.005 5.3E-11 1.39E-11 . . . . . . . . . . 132 ALA N . 0.964 0.004 1.0E-11 2.01E-11 . . . . . . . . . . 133 LYS N . 0.956 0.004 6.5E-11 1.28E-11 . . . . . . . . . . 134 ASN N 1 0.856 0.006 2.5E-11 0.55E-11 . . . . . . . . . . 136 GLN N . 0.895 0.005 5.8E-11 1.23E-11 . . . . . . . . . . 137 LYS N . 0.880 0.007 2.8E-11 1.35E-11 . . . . . . . . . . 139 ILE N . 0.974 0.005 1.0E-15 1.24E-11 . . . . . . . . . . 142 GLU N . 0.894 0.006 1.3E-11 1.10E-11 . . . . . . . . . . 143 THR N 1 0.953 0.004 1.0E-15 1.56E-11 . . . . . . . . . . 144 ALA N . 1.000 0.006 1.0E-15 1.63E-11 . . . . . . . . . . 145 GLU N 1 0.933 0.003 7.5E-12 12.00E-12 . . . . . . . . . . 146 LYS N 1 0.937 0.002 1.0E-15 1.14E-11 . . . . . . . . . . 147 LEU N . 0.945 0.004 3.1E-10 0.25E-10 . . . . . . . . . . 148 ALA N . 0.980 0.004 1.8E-11 1.80E-11 . . . . . . . . . . 149 ARG N 2 0.937 0.003 4.0E-11 1.24E-11 . . . . . . . . . . 150 ASP N 2 0.938 0.003 2.5E-12 9.49E-12 . . . . . . . . . . 151 LEU N . 0.967 0.003 3.5E-11 1.80E-11 . . . . . . . . . . 152 LYS N . 0.943 0.004 5.0E-11 1.66E-11 . . . . . . . . . . 153 ALA N 8 0.947 0.007 1.0E-15 9.55E-12 . . . . . . . . . . 154 VAL N . 0.987 0.004 1.0E-15 2.60E-11 . . . . . . . . . . 155 LYS N . 0.979 0.003 5.0E-10 0.34E-10 . . . . . . . . . . 157 VAL N . 0.975 0.004 5.0E-10 0.39E-10 . . . . . . . . . . 158 GLU N . 0.903 0.005 3.8E-11 2.22E-11 . . . . . . . . . . 159 CYS N . 0.951 0.003 7.5E-12 20.40E-12 . . . . . . . . . . 160 SER N 1 0.910 0.004 2.5E-12 13.50E-12 . . . . . . . . . . 161 ALA N . 1.000 0.006 1.0E-15 2.09E-11 . . . . . . . . . . 162 LEU N . 0.913 0.005 5.0E-12 23.20E-12 . . . . . . . . . . 163 THR N . 0.966 0.003 5.0E-10 0.40E-10 . . . . . . . . . . 164 GLN N . 0.968 0.004 1.0E-15 1.81E-11 . . . . . . . . . . 165 LYS N 3 0.889 0.004 2.5E-12 15.00E-12 . . . . . . . . . . 166 GLY N . 0.974 0.003 5.0E-10 0.39E-10 . . . . . . . . . . 167 LEU N . 1.000 0.005 1.0E-15 2.09E-11 . . . . . . . . . . 168 LYS N 1 0.933 0.003 1.0E-15 1.16E-11 . . . . . . . . . . 169 ASN N 1 0.919 0.003 2.3E-11 0.96E-11 . . . . . . . . . . 170 VAL N . 0.942 0.003 1.0E-15 2.94E-11 . . . . . . . . . . 171 PHE N . 0.940 0.005 5.0E-10 0.37E-10 . . . . . . . . . . 173 GLU N 1 0.995 0.005 1.9E-10 0.18E-10 . . . . . . . . . . 174 ALA N . 1.000 0.006 1.0E-15 2.65E-11 . . . . . . . . . . 176 LEU N . 0.967 0.006 5.5E-11 2.01E-11 . . . . . . . . . . 177 ALA N . 0.991 0.005 5.5E-11 2.53E-11 . . . . . . . . . . 178 ALA N . 0.937 0.004 1.0E-11 1.79E-11 . . . . . . . . . . 179 LEU N 2 0.865 0.007 4.8E-11 1.51E-11 . . . . . . . . . . 180 GLU N . 0.912 0.006 5.0E-10 0.40E-10 . . . . . . . . . . stop_ _Tau_s_value_units . save_ save_methyl_parameters _Saveframe_category S2_parameters _Details 'Cdc42Hs-GMPPCP methyl carbon order parameters from Carbon T1 and Carbon T2 experiments at 14.1 and 17.6 T.' loop_ _Sample_label $sample_3 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Mol_system_component_name Cdc42Hs _Tau_e_value_units s _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Atom_name _Model_fit _S2_value _S2_value_fit_error _Tau_e_value _Tau_e_value_fit_error _S2f_value _S2f_value_fit_error _S2s_value _S2s_value_fit_error _Tau_s_value _Tau_s_value_fit_error _S2H_value _S2H_value_fit_error _S2N_value _S2N_value_fit_error 3 MET CE . 0.135 0.050 0.1E-10 0.03E-10 . . . . . . . . . . 5 THR CG2 . 0.621 0.002 0.5E-10 0.01E-10 . . . . . . . . . . 6 ILE CD1 . 0.425 0.028 0.2E-10 0.01E-10 . . . . . . . . . . 6 ILE CG2 . 0.882 0.020 0.5E-10 0.01E-10 . . . . . . . . . . 9 VAL CG1 . 0.871 0.022 0.2E-10 0.04E-10 . . . . . . . . . . 9 VAL CG2 . 0.876 0.013 0.5E-10 0.01E-10 . . . . . . . . . . 10 VAL CG1 . 0.666 0.017 0.5E-10 0.02E-10 . . . . . . . . . . 10 VAL CG2 . 0.629 0.029 0.3E-10 0.02E-10 . . . . . . . . . . 11 VAL CG1 . 0.988 0.018 0.6E-10 0.01E-10 . . . . . . . . . . 11 VAL CG2 . 0.738 0.022 0.7E-10 0.09E-10 . . . . . . . . . . 19 THR CG2 . 0.977 0.020 1.7E-10 0.10E-10 . . . . . . . . . . 21 LEU CD1 . 0.163 0.052 0.4E-10 0.01E-10 . . . . . . . . . . 21 LEU CD2 . 0.238 0.013 0.6E-10 0.02E-10 . . . . . . . . . . 22 LEU CD1 . 0.662 0.016 0.4E-10 0.02E-10 . . . . . . . . . . 22 LEU CD2 . 0.634 0.013 0.2E-10 0.01E-10 . . . . . . . . . . 23 ILE CG2 . 0.995 0.010 1.1E-10 0.06E-10 . . . . . . . . . . 26 THR CG2 . 1.000 0.022 0.4E-10 0.01E-10 . . . . . . . . . . 27 THR CG2 . 0.912 0.024 0.6E-10 0.02E-10 . . . . . . . . . . 43 ALA CB . 1.000 0.020 0.4E-10 0.02E-10 . . . . . . . . . . 44 VAL CG2 . 0.312 0.013 0.6E-10 0.01E-10 . . . . . . . . . . 45 THR CG2 . 0.781 0.015 0.5E-10 0.01E-10 . . . . . . . . . . 46 VAL CG1 . 0.311 0.039 0.6E-10 0.02E-10 . . . . . . . . . . 46 VAL CG2 . 0.613 0.013 0.6E-10 0.01E-10 . . . . . . . . . . 47 MET CE . 0.202 0.065 0.1E-10 0.03E-10 . . . . . . . . . . 48 ILE CD1 . 0.257 0.067 0.2E-10 0.03E-10 . . . . . . . . . . 48 ILE CG2 . 0.665 0.016 0.3E-10 0.01E-10 . . . . . . . . . . 55 LEU CD1 . 0.663 0.018 0.5E-10 0.09E-10 . . . . . . . . . . 55 LEU CD2 . 0.650 0.005 0.4E-10 0.01E-10 . . . . . . . . . . 72 LEU CD1 . 0.432 0.032 0.5E-10 0.01E-10 . . . . . . . . . . 77 THR CG2 . 0.868 0.010 0.3E-10 0.08E-10 . . . . . . . . . . 79 VAL CG1 . 0.799 0.021 0.8E-10 0.03E-10 . . . . . . . . . . 79 VAL CG2 . 0.888 0.021 1.2E-10 0.08E-10 . . . . . . . . . . 81 LEU CD1 . 0.628 0.014 0.4E-10 0.02E-10 . . . . . . . . . . 81 LEU CD2 . 0.611 0.007 0.3E-10 0.04E-10 . . . . . . . . . . 82 VAL CG2 . 0.930 0.011 0.3E-10 0.06E-10 . . . . . . . . . . 86 VAL CG2 . 0.897 0.024 1.0E-10 0.06E-10 . . . . . . . . . . 87 VAL CG1 . 0.865 0.013 0.5E-10 0.03E-10 . . . . . . . . . . 87 VAL CG2 . 0.985 0.015 0.3E-10 0.01E-10 . . . . . . . . . . 95 VAL CG1 . 0.897 0.015 0.4E-10 0.01E-10 . . . . . . . . . . 95 VAL CG2 . 0.921 0.032 0.3E-10 0.02E-10 . . . . . . . . . . 100 VAL CG1 . 0.862 0.019 0.7E-10 0.03E-10 . . . . . . . . . . 100 VAL CG2 . 0.833 0.011 0.3E-10 0.01E-10 . . . . . . . . . . 103 ILE CD1 . 0.708 0.011 0.2E-10 0.03E-10 . . . . . . . . . . 103 ILE CG2 . 1.000 0.026 0.5E-10 0.02E-10 . . . . . . . . . . 104 THR CG2 . 1.000 0.025 0.4E-10 0.02E-10 . . . . . . . . . . 113 LEU CD1 . 0.179 0.060 0.3E-10 0.07E-10 . . . . . . . . . . 113 LEU CD2 . 0.177 0.035 0.4E-10 0.01E-10 . . . . . . . . . . 114 LEU CD1 . 0.368 0.025 0.8E-10 0.02E-10 . . . . . . . . . . 114 LEU CD2 . 0.576 0.023 0.9E-10 0.06E-10 . . . . . . . . . . 115 VAL CG1 . 0.915 0.022 0.3E-10 0.04E-10 . . . . . . . . . . 115 VAL CG2 . 0.928 0.004 0.3E-10 0.06E-10 . . . . . . . . . . 117 THR CG2 . 0.925 0.007 0.4E-10 0.02E-10 . . . . . . . . . . 119 ILE CD1 . 0.768 0.017 0.2E-10 0.02E-10 . . . . . . . . . . 119 ILE CG2 . 0.929 0.012 0.1E-10 0.03E-10 . . . . . . . . . . 121 LEU CD1 . 0.734 0.011 0.4E-10 0.01E-10 . . . . . . . . . . 121 LEU CD2 . 0.757 0.007 0.6E-10 0.03E-10 . . . . . . . . . . 128 ILE CD1 . 0.378 0.043 0.2E-10 0.01E-10 . . . . . . . . . . 128 ILE CG2 . 0.767 0.012 0.4E-10 0.01E-10 . . . . . . . . . . 131 LEU CD1 . 0.602 0.024 0.7E-10 0.03E-10 . . . . . . . . . . 131 LEU CD2 . 0.485 0.012 0.5E-10 0.01E-10 . . . . . . . . . . 132 ALA CB . 0.976 0.033 0.4E-10 0.02E-10 . . . . . . . . . . 139 ILE CD1 . 0.408 0.053 0.2E-10 0.04E-10 . . . . . . . . . . 139 ILE CG2 . 0.971 0.039 0.4E-10 0.05E-10 . . . . . . . . . . 143 THR CG2 . 0.789 0.023 0.5E-10 0.02E-10 . . . . . . . . . . 144 ALA CB . 1.000 0.030 0.8E-10 0.05E-10 . . . . . . . . . . 147 LEU CD1 . 0.682 0.010 0.2E-10 0.02E-10 . . . . . . . . . . 147 LEU CD2 . 0.636 0.016 0.6E-10 0.03E-10 . . . . . . . . . . 148 ALA CB . 1.000 0.010 0.2E-10 0.04E-10 . . . . . . . . . . 151 LEU CD1 . 0.652 0.014 0.6E-10 0.01E-10 . . . . . . . . . . 151 LEU CD2 . 0.655 0.013 0.3E-10 0.01E-10 . . . . . . . . . . 153 ALA CB . 1.000 0.011 0.2E-10 0.01E-10 . . . . . . . . . . 154 VAL CG1 . 0.590 0.009 0.3E-10 0.03E-10 . . . . . . . . . . 154 VAL CG2 . 0.649 0.007 0.2E-10 0.01E-10 . . . . . . . . . . 157 VAL CG1 . 0.653 0.027 0.5E-10 0.02E-10 . . . . . . . . . . 157 VAL CG2 . 0.598 0.021 0.8E-10 0.03E-10 . . . . . . . . . . 161 ALA CB . 1.000 0.022 1.1E-10 0.07E-10 . . . . . . . . . . 162 LEU CD1 . 0.317 0.015 0.3E-10 0.01E-10 . . . . . . . . . . 162 LEU CD2 . 0.328 0.044 0.4E-10 0.03E-10 . . . . . . . . . . 167 LEU CD1 . 0.453 0.017 0.7E-10 0.03E-10 . . . . . . . . . . 167 LEU CD2 . 0.454 0.018 0.6E-10 0.03E-10 . . . . . . . . . . 170 VAL CG1 . 0.854 0.016 0.4E-10 0.02E-10 . . . . . . . . . . 170 VAL CG2 . 0.897 0.011 0.4E-10 0.02E-10 . . . . . . . . . . 174 ALA CB . 1.000 0.036 0.6E-10 0.03E-10 . . . . . . . . . . 175 ILE CD1 . 0.630 0.024 0.2E-10 0.01E-10 . . . . . . . . . . 175 ILE CG2 . 0.882 0.022 0.3E-10 0.01E-10 . . . . . . . . . . 176 LEU CD1 . 0.527 0.019 0.4E-10 0.02E-10 . . . . . . . . . . 176 LEU CD2 . 0.485 0.022 0.3E-10 0.02E-10 . . . . . . . . . . 177 ALA CB . 1.000 0.024 0.8E-10 0.03E-10 . . . . . . . . . . 178 ALA CB . 1.000 0.013 0.4E-10 0.06E-10 . . . . . . . . . . 179 LEU CD1 . 0.487 0.018 0.7E-10 0.02E-10 . . . . . . . . . . 179 LEU CD2 . 0.574 0.014 0.4E-10 0.01E-10 . . . . . . . . . . stop_ _Tau_s_value_units . save_