################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27779 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method 'Errors allow for differences in peak positions measured in different spectra.' _Assigned_chem_shift_list.Details 'Proton chemical shifts, where possible, were derived from 1D spectrum.' _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D DQF-COSY' . . . 27779 1 4 '2D 1H-13C HSQC' . . . 27779 1 5 '1D 1H' . . . 27779 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $SPARKY . . 27779 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 BMT HA H 1 5.556 0.005 . 1 . . . . . 1 BMT HA . 27779 1 2 . 1 . 1 1 1 BMT HB H 1 3.778 0.005 . 1 . . . . . 1 BMT HB . 27779 1 3 . 1 . 1 1 1 BMT HG1 H 1 3.85 0.01 . 1 . . . . . 1 BMT HG1 OH 27779 1 4 . 1 . 1 1 1 BMT HG2 H 1 1.60 0.01 . 1 . . . . . 1 BMT HG2 . 27779 1 5 . 1 . 1 1 1 BMT HD22 H 1 2.42 0.01 . 2 . . . . . 1 BMT HD2 . 27779 1 6 . 1 . 1 1 1 BMT HD23 H 1 1.638 0.005 . 2 . . . . . 1 BMT HD3 . 27779 1 7 . 1 . 1 1 1 BMT HE H 1 5.34 0.01 . 1 . . . . . 1 BMT HE . 27779 1 8 . 1 . 1 1 1 BMT HZ H 1 5.34 0.01 . 1 . . . . . 1 BMT HZ . 27779 1 9 . 1 . 1 1 1 BMT C C 13 170.7 0.3 . 1 . . . . . 1 BMT C . 27779 1 10 . 1 . 1 1 1 BMT CA C 13 59.0 0.3 . 1 . . . . . 1 BMT CA . 27779 1 11 . 1 . 1 1 1 BMT CB C 13 75.0 0.3 . 1 . . . . . 1 BMT CB . 27779 1 12 . 1 . 1 1 1 BMT CG2 C 13 35.8 0.3 . 1 . . . . . 1 BMT CG2 . 27779 1 13 . 1 . 1 1 1 BMT CD1 C 13 17.0 0.3 . 1 . . . . . 1 BMT CD1 . 27779 1 14 . 1 . 1 1 1 BMT CD2 C 13 35.8 0.3 . 1 . . . . . 1 BMT CD2 . 27779 1 15 . 1 . 1 1 1 BMT CE C 13 129.9 0.3 . 1 . . . . . 1 BMT CE . 27779 1 16 . 1 . 1 1 1 BMT CZ C 13 126.3 0.3 . 1 . . . . . 1 BMT CZ . 27779 1 17 . 1 . 1 1 1 BMT CH C 13 18.0 0.3 . 1 . . . . . 1 BMT CH . 27779 1 18 . 1 . 1 1 1 BMT CN C 13 34.3 0.3 . 1 . . . . . 1 BMT NC . 27779 1 19 . 1 . 1 1 1 BMT HN1 H 1 3.529 0.005 . 1 . 3 . . . 1 BMT NCH . 27779 1 20 . 1 . 1 1 1 BMT HN2 H 1 3.529 0.005 . 1 . 3 . . . 1 BMT NCH . 27779 1 21 . 1 . 1 1 1 BMT HN3 H 1 3.529 0.005 . 1 . 3 . . . 1 BMT NCH . 27779 1 22 . 1 . 1 1 1 BMT HD11 H 1 0.696 0.005 . 1 . 3 . . . 1 BMT MD1 . 27779 1 23 . 1 . 1 1 1 BMT HD12 H 1 0.696 0.005 . 1 . 3 . . . 1 BMT MD1 . 27779 1 24 . 1 . 1 1 1 BMT HD13 H 1 0.696 0.005 . 1 . 3 . . . 1 BMT MD1 . 27779 1 25 . 1 . 1 1 1 BMT HH1 H 1 1.63 0.01 . 1 . 3 . . . 1 BMT MH . 27779 1 26 . 1 . 1 1 1 BMT HH2 H 1 1.63 0.01 . 1 . 3 . . . 1 BMT MH . 27779 1 27 . 1 . 1 1 1 BMT HH3 H 1 1.63 0.01 . 1 . 3 . . . 1 BMT MH . 27779 1 28 . 1 . 1 2 2 VAL H H 1 7.995 0.005 . 1 . . . . . 2 VAL H . 27779 1 29 . 1 . 1 2 2 VAL HA H 1 4.742 0.005 . 1 . . . . . 2 VAL HA . 27779 1 30 . 1 . 1 2 2 VAL HB H 1 2.00 0.01 . 1 . . . . . 2 VAL HB . 27779 1 31 . 1 . 1 2 2 VAL HG11 H 1 0.886 0.005 . 1 . 3 . . . 2 VAL MG1 . 27779 1 32 . 1 . 1 2 2 VAL HG12 H 1 0.886 0.005 . 1 . 3 . . . 2 VAL MG1 . 27779 1 33 . 1 . 1 2 2 VAL HG13 H 1 0.886 0.005 . 1 . 3 . . . 2 VAL MG1 . 27779 1 34 . 1 . 1 2 2 VAL HG21 H 1 0.877 0.005 . 1 . 3 . . . 2 VAL MG2 . 27779 1 35 . 1 . 1 2 2 VAL HG22 H 1 0.877 0.005 . 1 . 3 . . . 2 VAL MG2 . 27779 1 36 . 1 . 1 2 2 VAL HG23 H 1 0.877 0.005 . 1 . 3 . . . 2 VAL MG2 . 27779 1 37 . 1 . 1 2 2 VAL C C 13 173.9 0.3 . 1 . . . . . 2 VAL C . 27779 1 38 . 1 . 1 2 2 VAL CA C 13 54.0 0.3 . 1 . . . . . 2 VAL CA . 27779 1 39 . 1 . 1 2 2 VAL CB C 13 30.2 0.3 . 1 . . . . . 2 VAL CB . 27779 1 40 . 1 . 1 2 2 VAL CG1 C 13 18.2 0.3 . 1 . . . . . 2 VAL CG1 . 27779 1 41 . 1 . 1 2 2 VAL CG2 C 13 19.4 0.3 . 1 . . . . . 2 VAL CG2 . 27779 1 42 . 1 . 1 3 3 SAR HA2 H 1 4.730 0.005 . 2 . . . . . 3 SAR HA2 . 27779 1 43 . 1 . 1 3 3 SAR HA3 H 1 3.191 0.005 . 2 . . . . . 3 SAR HA3 . 27779 1 44 . 1 . 1 3 3 SAR C C 13 171.2 0.3 . 1 . . . . . 3 SAR C . 27779 1 45 . 1 . 1 3 3 SAR CA C 13 50.5 0.3 . 1 . . . . . 3 SAR CA . 27779 1 46 . 1 . 1 3 3 SAR CN C 13 39.6 0.3 . 1 . . . . . 3 SAR NC . 27779 1 47 . 1 . 1 3 3 SAR HN1 H 1 3.387 0.005 . 1 . 3 . . . 3 SAR NCH . 27779 1 48 . 1 . 1 3 3 SAR HN2 H 1 3.387 0.005 . 1 . 3 . . . 3 SAR NCH . 27779 1 49 . 1 . 1 3 3 SAR HN3 H 1 3.387 0.005 . 1 . 3 . . . 3 SAR NCH . 27779 1 50 . 1 . 1 4 4 MLE HA H 1 5.327 0.005 . 1 . . . . . 4 MLE HA . 27779 1 51 . 1 . 1 4 4 MLE HB2 H 1 1.99 0.01 . 2 . . . . . 4 MLE HB2 . 27779 1 52 . 1 . 1 4 4 MLE HB3 H 1 1.63 0.01 . 2 . . . . . 4 MLE HB3 . 27779 1 53 . 1 . 1 4 4 MLE HG H 1 1.426 0.005 . 1 . . . . . 4 MLE HG . 27779 1 54 . 1 . 1 4 4 MLE C C 13 170.0 0.3 . 1 . . . . . 4 MLE C . 27779 1 55 . 1 . 1 4 4 MLE CA C 13 55.6 0.3 . 1 . . . . . 4 MLE CA . 27779 1 56 . 1 . 1 4 4 MLE CB C 13 36.0 0.3 . 1 . . . . . 4 MLE CB . 27779 1 57 . 1 . 1 4 4 MLE CG C 13 24.9 0.3 . 1 . . . . . 4 MLE CG . 27779 1 58 . 1 . 1 4 4 MLE CD1 C 13 23.5 0.3 . 1 . . . . . 4 MLE CD1 . 27779 1 59 . 1 . 1 4 4 MLE CD2 C 13 21.2 0.3 . 1 . . . . . 4 MLE CD2 . 27779 1 60 . 1 . 1 4 4 MLE CN C 13 31.4 0.3 . 1 . . . . . 4 MLE NC . 27779 1 61 . 1 . 1 4 4 MLE HN1 H 1 3.103 0.005 . 1 . 3 . . . 4 MLE NCH . 27779 1 62 . 1 . 1 4 4 MLE HN2 H 1 3.103 0.005 . 1 . 3 . . . 4 MLE NCH . 27779 1 63 . 1 . 1 4 4 MLE HN3 H 1 3.103 0.005 . 1 . 3 . . . 4 MLE NCH . 27779 1 64 . 1 . 1 4 4 MLE HD11 H 1 0.941 0.005 . 1 . 3 . . . 4 MLE MD1 . 27779 1 65 . 1 . 1 4 4 MLE HD12 H 1 0.941 0.005 . 1 . 3 . . . 4 MLE MD1 . 27779 1 66 . 1 . 1 4 4 MLE HD13 H 1 0.941 0.005 . 1 . 3 . . . 4 MLE MD1 . 27779 1 67 . 1 . 1 4 4 MLE HD21 H 1 0.872 0.005 . 1 . 3 . . . 4 MLE MD2 . 27779 1 68 . 1 . 1 4 4 MLE HD22 H 1 0.872 0.005 . 1 . 3 . . . 4 MLE MD2 . 27779 1 69 . 1 . 1 4 4 MLE HD23 H 1 0.872 0.005 . 1 . 3 . . . 4 MLE MD2 . 27779 1 70 . 1 . 1 5 5 VAL H H 1 7.574 0.005 . 1 . . . . . 5 VAL H . 27779 1 71 . 1 . 1 5 5 VAL HA H 1 4.609 0.005 . 1 . . . . . 5 VAL HA . 27779 1 72 . 1 . 1 5 5 VAL HB H 1 2.425 0.005 . 1 . . . . . 5 VAL HB . 27779 1 73 . 1 . 1 5 5 VAL HG11 H 1 1.067 0.005 . 1 . 3 . . . 5 VAL MG1 . 27779 1 74 . 1 . 1 5 5 VAL HG12 H 1 1.067 0.005 . 1 . 3 . . . 5 VAL MG1 . 27779 1 75 . 1 . 1 5 5 VAL HG13 H 1 1.067 0.005 . 1 . 3 . . . 5 VAL MG1 . 27779 1 76 . 1 . 1 5 5 VAL HG21 H 1 0.869 0.005 . 1 . 3 . . . 5 VAL MG2 . 27779 1 77 . 1 . 1 5 5 VAL HG22 H 1 0.869 0.005 . 1 . 3 . . . 5 VAL MG2 . 27779 1 78 . 1 . 1 5 5 VAL HG23 H 1 0.869 0.005 . 1 . 3 . . . 5 VAL MG2 . 27779 1 79 . 1 . 1 5 5 VAL C C 13 173.8 0.3 . 1 . . . . . 5 VAL C . 27779 1 80 . 1 . 1 5 5 VAL CA C 13 54.6 0.3 . 1 . . . . . 5 VAL CA . 27779 1 81 . 1 . 1 5 5 VAL CB C 13 31.1 0.3 . 1 . . . . . 5 VAL CB . 27779 1 82 . 1 . 1 5 5 VAL CG1 C 13 20.0 0.3 . 1 . . . . . 5 VAL CG1 . 27779 1 83 . 1 . 1 5 5 VAL CG2 C 13 18.3 0.3 . 1 . . . . . 5 VAL CG2 . 27779 1 84 . 1 . 1 6 6 MLE HA H 1 4.970 0.005 . 1 . . . . . 6 MLE HA . 27779 1 85 . 1 . 1 6 6 MLE HB2 H 1 2.06 0.01 . 2 . . . . . 6 MLE HB2 . 27779 1 86 . 1 . 1 6 6 MLE HB3 H 1 1.36 0.01 . 2 . . . . . 6 MLE HB3 . 27779 1 87 . 1 . 1 6 6 MLE HG H 1 1.784 0.005 . 1 . . . . . 6 MLE HG . 27779 1 88 . 1 . 1 6 6 MLE C C 13 171.5 0.3 . 1 . . . . . 6 MLE C . 27779 1 89 . 1 . 1 6 6 MLE CA C 13 55.3 0.3 . 1 . . . . . 6 MLE CA . 27779 1 90 . 1 . 1 6 6 MLE CB C 13 37.6 0.3 . 1 . . . . . 6 MLE CB . 27779 1 91 . 1 . 1 6 6 MLE CG C 13 25.4 0.3 . 1 . . . . . 6 MLE CG . 27779 1 92 . 1 . 1 6 6 MLE CD1 C 13 24.0 0.3 . 1 . . . . . 6 MLE CD1 . 27779 1 93 . 1 . 1 6 6 MLE CD2 C 13 21.9 0.3 . 1 . . . . . 6 MLE CD2 . 27779 1 94 . 1 . 1 6 6 MLE CN C 13 31.6 0.3 . 1 . . . . . 6 MLE NC . 27779 1 95 . 1 . 1 6 6 MLE HN1 H 1 3.268 0.005 . 1 . 3 . . . 6 MLE NCH . 27779 1 96 . 1 . 1 6 6 MLE HN2 H 1 3.268 0.005 . 1 . 3 . . . 6 MLE NCH . 27779 1 97 . 1 . 1 6 6 MLE HN3 H 1 3.268 0.005 . 1 . 3 . . . 6 MLE NCH . 27779 1 98 . 1 . 1 6 6 MLE HD11 H 1 0.940 0.005 . 1 . 3 . . . 6 MLE MD1 . 27779 1 99 . 1 . 1 6 6 MLE HD12 H 1 0.940 0.005 . 1 . 3 . . . 6 MLE MD1 . 27779 1 100 . 1 . 1 6 6 MLE HD13 H 1 0.940 0.005 . 1 . 3 . . . 6 MLE MD1 . 27779 1 101 . 1 . 1 6 6 MLE HD21 H 1 0.821 0.005 . 1 . 3 . . . 6 MLE MD2 . 27779 1 102 . 1 . 1 6 6 MLE HD22 H 1 0.821 0.005 . 1 . 3 . . . 6 MLE MD2 . 27779 1 103 . 1 . 1 6 6 MLE HD23 H 1 0.821 0.005 . 1 . 3 . . . 6 MLE MD2 . 27779 1 104 . 1 . 1 7 7 ALA H H 1 7.670 0.005 . 1 . . . . . 7 ALA H . 27779 1 105 . 1 . 1 7 7 ALA HA H 1 4.531 0.005 . 1 . . . . . 7 ALA HA . 27779 1 106 . 1 . 1 7 7 ALA HB1 H 1 1.355 0.005 . 1 . 3 . . . 7 ALA MB . 27779 1 107 . 1 . 1 7 7 ALA HB2 H 1 1.355 0.005 . 1 . 3 . . . 7 ALA MB . 27779 1 108 . 1 . 1 7 7 ALA HB3 H 1 1.355 0.005 . 1 . 3 . . . 7 ALA MB . 27779 1 109 . 1 . 1 7 7 ALA C C 13 171.0 0.3 . 1 . . . . . 7 ALA C . 27779 1 110 . 1 . 1 7 7 ALA CA C 13 48.6 0.3 . 1 . . . . . 7 ALA CA . 27779 1 111 . 1 . 1 7 7 ALA CB C 13 16.0 0.3 . 1 . . . . . 7 ALA CB . 27779 1 112 . 1 . 1 8 8 DAL H H 1 7.153 0.005 . 1 . . . . . 8 ALA H . 27779 1 113 . 1 . 1 8 8 DAL HA H 1 4.832 0.005 . 1 . . . . . 8 ALA HA . 27779 1 114 . 1 . 1 8 8 DAL HB1 H 1 1.253 0.005 . 1 . 3 . . . 8 ALA MB . 27779 1 115 . 1 . 1 8 8 DAL HB2 H 1 1.253 0.005 . 1 . 3 . . . 8 ALA MB . 27779 1 116 . 1 . 1 8 8 DAL HB3 H 1 1.253 0.005 . 1 . 3 . . . 8 ALA MB . 27779 1 117 . 1 . 1 8 8 DAL C C 13 173.4 0.3 . 1 . . . . . 8 ALA C . 27779 1 118 . 1 . 1 8 8 DAL CA C 13 45.1 0.3 . 1 . . . . . 8 ALA CA . 27779 1 119 . 1 . 1 8 8 DAL CB C 13 18.2 0.3 . 1 . . . . . 8 ALA CB . 27779 1 120 . 1 . 1 9 9 MLE HA H 1 5.701 0.005 . 1 . . . . . 9 MLE HA . 27779 1 121 . 1 . 1 9 9 MLE HB2 H 1 2.12 0.01 . 2 . . . . . 9 MLE HB2 . 27779 1 122 . 1 . 1 9 9 MLE HB3 H 1 1.24 0.01 . 2 . . . . . 9 MLE HB3 . 27779 1 123 . 1 . 1 9 9 MLE HG H 1 1.32 0.01 . 1 . . . . . 9 MLE HG . 27779 1 124 . 1 . 1 9 9 MLE C C 13 170.3 0.3 . 1 . . . . . 9 MLE C . 27779 1 125 . 1 . 1 9 9 MLE CA C 13 48.2 0.3 . 1 . . . . . 9 MLE CA . 27779 1 126 . 1 . 1 9 9 MLE CB C 13 39.1 0.3 . 1 . . . . . 9 MLE CB . 27779 1 127 . 1 . 1 9 9 MLE CG C 13 24.7 0.3 . 1 . . . . . 9 MLE CG . 27779 1 128 . 1 . 1 9 9 MLE CD1 C 13 23.8 0.3 . 1 . . . . . 9 MLE CD1 . 27779 1 129 . 1 . 1 9 9 MLE CD2 C 13 21.9 0.3 . 1 . . . . . 9 MLE CD2 . 27779 1 130 . 1 . 1 9 9 MLE CN C 13 29.6 0.3 . 1 . . . . . 9 MLE NC . 27779 1 131 . 1 . 1 9 9 MLE HN1 H 1 3.103 0.005 . 1 . 3 . . . 9 MLE NCH . 27779 1 132 . 1 . 1 9 9 MLE HN2 H 1 3.103 0.005 . 1 . 3 . . . 9 MLE NCH . 27779 1 133 . 1 . 1 9 9 MLE HN3 H 1 3.103 0.005 . 1 . 3 . . . 9 MLE NCH . 27779 1 134 . 1 . 1 9 9 MLE HD11 H 1 0.956 0.005 . 1 . 3 . . . 9 MLE MD1 . 27779 1 135 . 1 . 1 9 9 MLE HD12 H 1 0.956 0.005 . 1 . 3 . . . 9 MLE MD1 . 27779 1 136 . 1 . 1 9 9 MLE HD13 H 1 0.956 0.005 . 1 . 3 . . . 9 MLE MD1 . 27779 1 137 . 1 . 1 9 9 MLE HD21 H 1 0.877 0.005 . 1 . 3 . . . 9 MLE MD2 . 27779 1 138 . 1 . 1 9 9 MLE HD22 H 1 0.877 0.005 . 1 . 3 . . . 9 MLE MD2 . 27779 1 139 . 1 . 1 9 9 MLE HD23 H 1 0.877 0.005 . 1 . 3 . . . 9 MLE MD2 . 27779 1 140 . 1 . 1 10 10 MLE HA H 1 5.057 0.005 . 1 . . . . . 10 MLE HA . 27779 1 141 . 1 . 1 10 10 MLE HB2 H 1 2.06 0.01 . 2 . . . . . 10 MLE HB2 . 27779 1 142 . 1 . 1 10 10 MLE HB3 H 1 1.26 0.01 . 2 . . . . . 10 MLE HB3 . 27779 1 143 . 1 . 1 10 10 MLE HG H 1 1.481 0.005 . 1 . . . . . 10 MLE HG . 27779 1 144 . 1 . 1 10 10 MLE C C 13 170.1 0.3 . 1 . . . . . 10 MLE C . 27779 1 145 . 1 . 1 10 10 MLE CA C 13 57.6 0.3 . 1 . . . . . 10 MLE CA . 27779 1 146 . 1 . 1 10 10 MLE CB C 13 40.7 0.3 . 1 . . . . . 10 MLE CB . 27779 1 147 . 1 . 1 10 10 MLE CG C 13 24.5 0.3 . 1 . . . . . 10 MLE CG . 27779 1 148 . 1 . 1 10 10 MLE CD1 C 13 23.8 0.3 . 1 . . . . . 10 MLE CD1 . 27779 1 149 . 1 . 1 10 10 MLE CD2 C 13 23.5 0.3 . 1 . . . . . 10 MLE CD2 . 27779 1 150 . 1 . 1 10 10 MLE CN C 13 29.8 0.3 . 1 . . . . . 10 MLE NC . 27779 1 151 . 1 . 1 10 10 MLE HN1 H 1 2.689 0.005 . 1 . 3 . . . 10 MLE NCH . 27779 1 152 . 1 . 1 10 10 MLE HN2 H 1 2.689 0.005 . 1 . 3 . . . 10 MLE NCH . 27779 1 153 . 1 . 1 10 10 MLE HN3 H 1 2.689 0.005 . 1 . 3 . . . 10 MLE NCH . 27779 1 154 . 1 . 1 10 10 MLE HD11 H 1 1.028 0.005 . 1 . 3 . . . 10 MLE MD1 . 27779 1 155 . 1 . 1 10 10 MLE HD12 H 1 1.028 0.005 . 1 . 3 . . . 10 MLE MD1 . 27779 1 156 . 1 . 1 10 10 MLE HD13 H 1 1.028 0.005 . 1 . 3 . . . 10 MLE MD1 . 27779 1 157 . 1 . 1 10 10 MLE HD21 H 1 1.004 0.005 . 1 . 3 . . . 10 MLE MD2 . 27779 1 158 . 1 . 1 10 10 MLE HD22 H 1 1.004 0.005 . 1 . 3 . . . 10 MLE MD2 . 27779 1 159 . 1 . 1 10 10 MLE HD23 H 1 1.004 0.005 . 1 . 3 . . . 10 MLE MD2 . 27779 1 160 . 1 . 1 11 11 MVA HA H 1 5.122 0.005 . 1 . . . . . 11 MVA HA . 27779 1 161 . 1 . 1 11 11 MVA HB H 1 2.12 0.01 . 1 . . . . . 11 MVA HB . 27779 1 162 . 1 . 1 11 11 MVA C C 13 173.6 0.3 . 1 . . . . . 11 MVA C . 27779 1 163 . 1 . 1 11 11 MVA CA C 13 57.9 0.3 . 1 . . . . . 11 MVA CA . 27779 1 164 . 1 . 1 11 11 MVA CB C 13 29.3 0.3 . 1 . . . . . 11 MVA CB . 27779 1 165 . 1 . 1 11 11 MVA CG1 C 13 18.7 0.3 . 1 . . . . . 11 MVA CG1 . 27779 1 166 . 1 . 1 11 11 MVA CG2 C 13 20.4 0.3 . 1 . . . . . 11 MVA CG2 . 27779 1 167 . 1 . 1 11 11 MVA CN C 13 29.8 0.3 . 1 . . . . . 11 MVA NC . 27779 1 168 . 1 . 1 11 11 MVA HN1 H 1 2.704 0.005 . 1 . 3 . . . 11 MVA NCH . 27779 1 169 . 1 . 1 11 11 MVA HN2 H 1 2.704 0.005 . 1 . 3 . . . 11 MVA NCH . 27779 1 170 . 1 . 1 11 11 MVA HN3 H 1 2.704 0.005 . 1 . 3 . . . 11 MVA NCH . 27779 1 171 . 1 . 1 11 11 MVA HG11 H 1 0.990 0.005 . 1 . 3 . . . 11 MVA MG1 . 27779 1 172 . 1 . 1 11 11 MVA HG12 H 1 0.990 0.005 . 1 . 3 . . . 11 MVA MG1 . 27779 1 173 . 1 . 1 11 11 MVA HG13 H 1 0.990 0.005 . 1 . 3 . . . 11 MVA MG1 . 27779 1 174 . 1 . 1 11 11 MVA HG21 H 1 0.838 0.005 . 1 . 3 . . . 11 MVA MG2 . 27779 1 175 . 1 . 1 11 11 MVA HG22 H 1 0.838 0.005 . 1 . 3 . . . 11 MVA MG2 . 27779 1 176 . 1 . 1 11 11 MVA HG23 H 1 0.838 0.005 . 1 . 3 . . . 11 MVA MG2 . 27779 1 stop_ save_