################################### # 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 27800 _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 . _Assigned_chem_shift_list.Details . _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 3 '2D 1H-13C HSQC' . . . 27800 1 6 '1D 1H' . . . 27800 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 5.329 0.005 . 1 . . . . . 1 BMT HA . 27800 1 2 . 1 . 1 1 1 BMT HB H 1 3.965 0.005 . 1 . . . . . 1 BMT HB . 27800 1 3 . 1 . 1 1 1 BMT HG2 H 1 1.693 0.005 . 1 . . . . . 1 BMT HG2 . 27800 1 4 . 1 . 1 1 1 BMT HD11 H 1 0.820 0.005 . 1 . 3 . . . 1 BMT HD11 . 27800 1 5 . 1 . 1 1 1 BMT HD12 H 1 0.820 0.005 . 1 . 3 . . . 1 BMT HD12 . 27800 1 6 . 1 . 1 1 1 BMT HD13 H 1 0.820 0.005 . 1 . 3 . . . 1 BMT HD13 . 27800 1 7 . 1 . 1 1 1 BMT HD22 H 1 2.296 0.005 . 2 . . . . . 1 BMT HD22 . 27800 1 8 . 1 . 1 1 1 BMT HD23 H 1 1.749 0.005 . 2 . . . . . 1 BMT HD23 . 27800 1 9 . 1 . 1 1 1 BMT HE H 1 5.350 0.005 . 1 . . . . . 1 BMT HE . 27800 1 10 . 1 . 1 1 1 BMT HZ H 1 5.350 0.005 . 1 . . . . . 1 BMT HZ . 27800 1 11 . 1 . 1 1 1 BMT HH1 H 1 1.611 0.005 . 1 . 3 . . . 1 BMT HH1 . 27800 1 12 . 1 . 1 1 1 BMT HH2 H 1 1.611 0.005 . 1 . 3 . . . 1 BMT HH2 . 27800 1 13 . 1 . 1 1 1 BMT HH3 H 1 1.611 0.005 . 1 . 3 . . . 1 BMT HH3 . 27800 1 14 . 1 . 1 1 1 BMT HN1 H 1 3.507 0.005 . 1 . 3 . . . 1 BMT HN1 . 27800 1 15 . 1 . 1 1 1 BMT HN2 H 1 3.507 0.005 . 1 . 3 . . . 1 BMT HN2 . 27800 1 16 . 1 . 1 1 1 BMT HN3 H 1 3.507 0.005 . 1 . 3 . . . 1 BMT HN3 . 27800 1 17 . 1 . 1 1 1 BMT C C 13 170.8 0.3 . 1 . . . . . 1 BMT C . 27800 1 18 . 1 . 1 1 1 BMT CA C 13 59.1 0.3 . 1 . . . . . 1 BMT CA . 27800 1 19 . 1 . 1 1 1 BMT CB C 13 74.2 0.3 . 1 . . . . . 1 BMT CB . 27800 1 20 . 1 . 1 1 1 BMT CG2 C 13 35.2 0.3 . 1 . . . . . 1 BMT CG2 . 27800 1 21 . 1 . 1 1 1 BMT CD1 C 13 17.0 0.3 . 1 . . . . . 1 BMT CD1 . 27800 1 22 . 1 . 1 1 1 BMT CD2 C 13 34.8 0.3 . 1 . . . . . 1 BMT CD2 . 27800 1 23 . 1 . 1 1 1 BMT CE C 13 129.6 0.3 . 1 . . . . . 1 BMT CE . 27800 1 24 . 1 . 1 1 1 BMT CZ C 13 126.5 0.3 . 1 . . . . . 1 BMT CZ . 27800 1 25 . 1 . 1 1 1 BMT CH C 13 17.9 0.3 . 1 . . . . . 1 BMT CH . 27800 1 26 . 1 . 1 1 1 BMT CN C 13 33.5 0.3 . 1 . . . . . 1 BMT CN . 27800 1 27 . 1 . 1 2 2 THR H H 1 8.132 0.005 . 1 . . . . . 2 THR H . 27800 1 28 . 1 . 1 2 2 THR HA H 1 4.942 0.005 . 1 . . . . . 2 THR HA . 27800 1 29 . 1 . 1 2 2 THR HB H 1 4.074 0.005 . 1 . . . . . 2 THR HB . 27800 1 30 . 1 . 1 2 2 THR HG1 H 1 3.815 0.005 . 1 . . . . . 2 THR HG1 OH 27800 1 31 . 1 . 1 2 2 THR HG21 H 1 1.101 0.005 . 1 . 3 . . . 2 THR HG21 . 27800 1 32 . 1 . 1 2 2 THR HG22 H 1 1.101 0.005 . 1 . 3 . . . 2 THR HG22 . 27800 1 33 . 1 . 1 2 2 THR HG23 H 1 1.101 0.005 . 1 . 3 . . . 2 THR HG23 . 27800 1 34 . 1 . 1 2 2 THR C C 13 173.5 0.3 . 1 . . . . . 2 THR C . 27800 1 35 . 1 . 1 2 2 THR CA C 13 51.4 0.3 . 1 . . . . . 2 THR CA . 27800 1 36 . 1 . 1 2 2 THR CB C 13 67.3 0.3 . 1 . . . . . 2 THR CB . 27800 1 37 . 1 . 1 2 2 THR CG2 C 13 18.7 0.3 . 1 . . . . . 2 THR CG2 . 27800 1 38 . 1 . 1 3 3 SAR HA2 H 1 4.738 0.005 . 2 . . . . . 3 SAR HA2 . 27800 1 39 . 1 . 1 3 3 SAR HA3 H 1 3.22 0.01 . 2 . . . . . 3 SAR HA3 . 27800 1 40 . 1 . 1 3 3 SAR HN1 H 1 3.410 0.005 . 1 . 3 . . . 3 SAR HN1 . 27800 1 41 . 1 . 1 3 3 SAR HN2 H 1 3.410 0.005 . 1 . 3 . . . 3 SAR HN2 . 27800 1 42 . 1 . 1 3 3 SAR HN3 H 1 3.410 0.005 . 1 . 3 . . . 3 SAR HN3 . 27800 1 43 . 1 . 1 3 3 SAR C C 13 170.7 0.3 . 1 . . . . . 3 SAR C . 27800 1 44 . 1 . 1 3 3 SAR CA C 13 50.0 0.3 . 1 . . . . . 3 SAR CA . 27800 1 45 . 1 . 1 3 3 SAR CN C 13 39.5 0.3 . 1 . . . . . 3 SAR CN . 27800 1 46 . 1 . 1 4 4 MLE HA H 1 5.340 0.005 . 1 . . . . . 4 MLE HA . 27800 1 47 . 1 . 1 4 4 MLE HB2 H 1 1.965 0.005 . 2 . . . . . 4 MLE HB2 . 27800 1 48 . 1 . 1 4 4 MLE HB3 H 1 1.618 0.005 . 2 . . . . . 4 MLE HB3 . 27800 1 49 . 1 . 1 4 4 MLE HG H 1 1.437 0.005 . 1 . . . . . 4 MLE HG . 27800 1 50 . 1 . 1 4 4 MLE HD11 H 1 0.945 0.005 . 1 . 3 . . . 4 MLE HD11 . 27800 1 51 . 1 . 1 4 4 MLE HD12 H 1 0.945 0.005 . 1 . 3 . . . 4 MLE HD12 . 27800 1 52 . 1 . 1 4 4 MLE HD13 H 1 0.945 0.005 . 1 . 3 . . . 4 MLE HD13 . 27800 1 53 . 1 . 1 4 4 MLE HD21 H 1 0.883 0.005 . 1 . 3 . . . 4 MLE HD21 . 27800 1 54 . 1 . 1 4 4 MLE HD22 H 1 0.883 0.005 . 1 . 3 . . . 4 MLE HD22 . 27800 1 55 . 1 . 1 4 4 MLE HD23 H 1 0.883 0.005 . 1 . 3 . . . 4 MLE HD23 . 27800 1 56 . 1 . 1 4 4 MLE HN1 H 1 3.069 0.005 . 1 . 3 . . . 4 MLE HN1 . 27800 1 57 . 1 . 1 4 4 MLE HN2 H 1 3.069 0.005 . 1 . 3 . . . 4 MLE HN2 . 27800 1 58 . 1 . 1 4 4 MLE HN3 H 1 3.069 0.005 . 1 . 3 . . . 4 MLE HN3 . 27800 1 59 . 1 . 1 4 4 MLE C C 13 169.9 0.3 . 1 . . . . . 4 MLE C . 27800 1 60 . 1 . 1 4 4 MLE CA C 13 55.3 0.3 . 1 . . . . . 4 MLE CA . 27800 1 61 . 1 . 1 4 4 MLE CB C 13 35.9 0.3 . 1 . . . . . 4 MLE CB . 27800 1 62 . 1 . 1 4 4 MLE CG C 13 24.9 0.3 . 1 . . . . . 4 MLE CG . 27800 1 63 . 1 . 1 4 4 MLE CD1 C 13 23.4 0.3 . 1 . . . . . 4 MLE CD1 . 27800 1 64 . 1 . 1 4 4 MLE CD2 C 13 21.4 0.3 . 1 . . . . . 4 MLE CD2 . 27800 1 65 . 1 . 1 4 4 MLE CN C 13 31.2 0.3 . 1 . . . . . 4 MLE CN . 27800 1 66 . 1 . 1 5 5 VAL H H 1 7.163 0.005 . 1 . . . . . 5 VAL H . 27800 1 67 . 1 . 1 5 5 VAL HA H 1 4.777 0.005 . 1 . . . . . 5 VAL HA . 27800 1 68 . 1 . 1 5 5 VAL HB H 1 2.169 0.005 . 1 . . . . . 5 VAL HB . 27800 1 69 . 1 . 1 5 5 VAL HG11 H 1 1.001 0.005 . 1 . 3 . . . 5 VAL HG11 . 27800 1 70 . 1 . 1 5 5 VAL HG12 H 1 1.001 0.005 . 1 . 3 . . . 5 VAL HG12 . 27800 1 71 . 1 . 1 5 5 VAL HG13 H 1 1.001 0.005 . 1 . 3 . . . 5 VAL HG13 . 27800 1 72 . 1 . 1 5 5 VAL HG21 H 1 0.868 0.005 . 1 . 3 . . . 5 VAL HG21 . 27800 1 73 . 1 . 1 5 5 VAL HG22 H 1 0.868 0.005 . 1 . 3 . . . 5 VAL HG22 . 27800 1 74 . 1 . 1 5 5 VAL HG23 H 1 0.868 0.005 . 1 . 3 . . . 5 VAL HG23 . 27800 1 75 . 1 . 1 5 5 VAL C C 13 173.2 0.3 . 1 . . . . . 5 VAL C . 27800 1 76 . 1 . 1 5 5 VAL CA C 13 54.7 0.3 . 1 . . . . . 5 VAL CA . 27800 1 77 . 1 . 1 5 5 VAL CB C 13 32.0 0.3 . 1 . . . . . 5 VAL CB . 27800 1 78 . 1 . 1 5 5 VAL CG1 C 13 19.3 0.3 . 1 . . . . . 5 VAL CG1 . 27800 1 79 . 1 . 1 5 5 VAL CG2 C 13 18.5 0.3 . 1 . . . . . 5 VAL CG2 . 27800 1 80 . 1 . 1 6 6 MLE HA H 1 5.054 0.005 . 1 . . . . . 6 MLE HA . 27800 1 81 . 1 . 1 6 6 MLE HB2 H 1 2.093 0.010 . 2 . . . . . 6 MLE HB2 . 27800 1 82 . 1 . 1 6 6 MLE HB3 H 1 1.294 0.005 . 2 . . . . . 6 MLE HB3 . 27800 1 83 . 1 . 1 6 6 MLE HG H 1 1.784 0.005 . 1 . . . . . 6 MLE HG . 27800 1 84 . 1 . 1 6 6 MLE HD11 H 1 0.937 0.005 . 1 . 3 . . . 6 MLE HD11 . 27800 1 85 . 1 . 1 6 6 MLE HD12 H 1 0.937 0.005 . 1 . 3 . . . 6 MLE HD12 . 27800 1 86 . 1 . 1 6 6 MLE HD13 H 1 0.937 0.005 . 1 . 3 . . . 6 MLE HD13 . 27800 1 87 . 1 . 1 6 6 MLE HD21 H 1 0.803 0.005 . 1 . 3 . . . 6 MLE HD21 . 27800 1 88 . 1 . 1 6 6 MLE HD22 H 1 0.803 0.005 . 1 . 3 . . . 6 MLE HD22 . 27800 1 89 . 1 . 1 6 6 MLE HD23 H 1 0.803 0.005 . 1 . 3 . . . 6 MLE HD23 . 27800 1 90 . 1 . 1 6 6 MLE HN1 H 1 3.214 0.005 . 1 . 3 . . . 6 MLE HN1 . 27800 1 91 . 1 . 1 6 6 MLE HN2 H 1 3.214 0.005 . 1 . 3 . . . 6 MLE HN2 . 27800 1 92 . 1 . 1 6 6 MLE HN3 H 1 3.214 0.005 . 1 . 3 . . . 6 MLE HN3 . 27800 1 93 . 1 . 1 6 6 MLE C C 13 171.3 0.3 . 1 . . . . . 6 MLE C . 27800 1 94 . 1 . 1 6 6 MLE CA C 13 54.9 0.3 . 1 . . . . . 6 MLE CA . 27800 1 95 . 1 . 1 6 6 MLE CB C 13 37.4 0.3 . 1 . . . . . 6 MLE CB . 27800 1 96 . 1 . 1 6 6 MLE CG C 13 25.0 0.3 . 1 . . . . . 6 MLE CG . 27800 1 97 . 1 . 1 6 6 MLE CD1 C 13 23.9 0.3 . 1 . . . . . 6 MLE CD1 . 27800 1 98 . 1 . 1 6 6 MLE CD2 C 13 21.7 0.3 . 1 . . . . . 6 MLE CD2 . 27800 1 99 . 1 . 1 6 6 MLE CN C 13 31.5 0.3 . 1 . . . . . 6 MLE CN . 27800 1 100 . 1 . 1 7 7 ALA H H 1 7.686 0.005 . 1 . . . . . 7 ALA H . 27800 1 101 . 1 . 1 7 7 ALA HA H 1 4.449 0.005 . 1 . . . . . 7 ALA HA . 27800 1 102 . 1 . 1 7 7 ALA HB1 H 1 1.409 0.005 . 1 . 3 . . . 7 ALA HB1 . 27800 1 103 . 1 . 1 7 7 ALA HB2 H 1 1.409 0.005 . 1 . 3 . . . 7 ALA HB2 . 27800 1 104 . 1 . 1 7 7 ALA HB3 H 1 1.409 0.005 . 1 . 3 . . . 7 ALA HB3 . 27800 1 105 . 1 . 1 7 7 ALA C C 13 171.3 0.3 . 1 . . . . . 7 ALA C . 27800 1 106 . 1 . 1 7 7 ALA CA C 13 48.8 0.3 . 1 . . . . . 7 ALA CA . 27800 1 107 . 1 . 1 7 7 ALA CB C 13 15.9 0.3 . 1 . . . . . 7 ALA CB . 27800 1 108 . 1 . 1 8 8 DAL H H 1 7.25 0.01 . 1 . . . . . 8 DAL H . 27800 1 109 . 1 . 1 8 8 DAL HA H 1 4.821 0.005 . 1 . . . . . 8 DAL HA . 27800 1 110 . 1 . 1 8 8 DAL HB1 H 1 1.257 0.005 . 1 . 3 . . . 8 DAL HB1 . 27800 1 111 . 1 . 1 8 8 DAL HB2 H 1 1.257 0.005 . 1 . 3 . . . 8 DAL HB2 . 27800 1 112 . 1 . 1 8 8 DAL HB3 H 1 1.257 0.005 . 1 . 3 . . . 8 DAL HB3 . 27800 1 113 . 1 . 1 8 8 DAL C C 13 173.6 0.3 . 1 . . . . . 8 DAL C . 27800 1 114 . 1 . 1 8 8 DAL CA C 13 45.1 0.3 . 1 . . . . . 8 DAL CA . 27800 1 115 . 1 . 1 8 8 DAL CB C 13 18.0 0.3 . 1 . . . . . 8 DAL CB . 27800 1 116 . 1 . 1 9 9 MLE HA H 1 5.689 0.005 . 1 . . . . . 9 MLE HA . 27800 1 117 . 1 . 1 9 9 MLE HB2 H 1 2.132 0.005 . 2 . . . . . 9 MLE HB2 . 27800 1 118 . 1 . 1 9 9 MLE HB3 H 1 1.204 0.005 . 2 . . . . . 9 MLE HB3 . 27800 1 119 . 1 . 1 9 9 MLE HG H 1 1.332 0.005 . 1 . . . . . 9 MLE HG . 27800 1 120 . 1 . 1 9 9 MLE HD11 H 1 0.954 0.005 . 1 . 3 . . . 9 MLE HD11 . 27800 1 121 . 1 . 1 9 9 MLE HD12 H 1 0.954 0.005 . 1 . 3 . . . 9 MLE HD12 . 27800 1 122 . 1 . 1 9 9 MLE HD13 H 1 0.954 0.005 . 1 . 3 . . . 9 MLE HD13 . 27800 1 123 . 1 . 1 9 9 MLE HD21 H 1 0.867 0.005 . 1 . 3 . . . 9 MLE HD21 . 27800 1 124 . 1 . 1 9 9 MLE HD22 H 1 0.867 0.005 . 1 . 3 . . . 9 MLE HD22 . 27800 1 125 . 1 . 1 9 9 MLE HD23 H 1 0.867 0.005 . 1 . 3 . . . 9 MLE HD23 . 27800 1 126 . 1 . 1 9 9 MLE HN1 H 1 3.142 0.005 . 1 . 3 . . . 9 MLE HN1 . 27800 1 127 . 1 . 1 9 9 MLE HN2 H 1 3.142 0.005 . 1 . 3 . . . 9 MLE HN2 . 27800 1 128 . 1 . 1 9 9 MLE HN3 H 1 3.142 0.005 . 1 . 3 . . . 9 MLE HN3 . 27800 1 129 . 1 . 1 9 9 MLE C C 13 170.7 0.3 . 1 . . . . . 9 MLE C . 27800 1 130 . 1 . 1 9 9 MLE CA C 13 48.2 0.3 . 1 . . . . . 9 MLE CA . 27800 1 131 . 1 . 1 9 9 MLE CB C 13 39.2 0.3 . 1 . . . . . 9 MLE CB . 27800 1 132 . 1 . 1 9 9 MLE CG C 13 24.7 0.3 . 1 . . . . . 9 MLE CG . 27800 1 133 . 1 . 1 9 9 MLE CD1 C 13 23.7 0.3 . 1 . . . . . 9 MLE CD1 . 27800 1 134 . 1 . 1 9 9 MLE CD2 C 13 21.8 0.3 . 1 . . . . . 9 MLE CD2 . 27800 1 135 . 1 . 1 9 9 MLE CN C 13 29.7 0.3 . 1 . . . . . 9 MLE CN . 27800 1 136 . 1 . 1 10 10 MLE HA H 1 5.107 0.005 . 1 . . . . . 10 MLE HA . 27800 1 137 . 1 . 1 10 10 MLE HB2 H 1 2.071 0.005 . 2 . . . . . 10 MLE HB2 . 27800 1 138 . 1 . 1 10 10 MLE HB3 H 1 1.258 0.005 . 2 . . . . . 10 MLE HB3 . 27800 1 139 . 1 . 1 10 10 MLE HG H 1 1.476 0.005 . 1 . . . . . 10 MLE HG . 27800 1 140 . 1 . 1 10 10 MLE HD11 H 1 1.029 0.005 . 1 . 3 . . . 10 MLE HD11 . 27800 1 141 . 1 . 1 10 10 MLE HD12 H 1 1.029 0.005 . 1 . 3 . . . 10 MLE HD12 . 27800 1 142 . 1 . 1 10 10 MLE HD13 H 1 1.029 0.005 . 1 . 3 . . . 10 MLE HD13 . 27800 1 143 . 1 . 1 10 10 MLE HD21 H 1 1.015 0.005 . 1 . 3 . . . 10 MLE HD21 . 27800 1 144 . 1 . 1 10 10 MLE HD22 H 1 1.015 0.005 . 1 . 3 . . . 10 MLE HD22 . 27800 1 145 . 1 . 1 10 10 MLE HD23 H 1 1.015 0.005 . 1 . 3 . . . 10 MLE HD23 . 27800 1 146 . 1 . 1 10 10 MLE HN1 H 1 2.690 0.005 . 1 . 3 . . . 10 MLE HN1 . 27800 1 147 . 1 . 1 10 10 MLE HN2 H 1 2.690 0.005 . 1 . 3 . . . 10 MLE HN2 . 27800 1 148 . 1 . 1 10 10 MLE HN3 H 1 2.690 0.005 . 1 . 3 . . . 10 MLE HN3 . 27800 1 149 . 1 . 1 10 10 MLE C C 13 170.3 0.3 . 1 . . . . . 10 MLE C . 27800 1 150 . 1 . 1 10 10 MLE CA C 13 57.5 0.3 . 1 . . . . . 10 MLE CA . 27800 1 151 . 1 . 1 10 10 MLE CB C 13 40.7 0.3 . 1 . . . . . 10 MLE CB . 27800 1 152 . 1 . 1 10 10 MLE CG C 13 24.5 0.3 . 1 . . . . . 10 MLE CG . 27800 1 153 . 1 . 1 10 10 MLE CD1 C 13 23.8 0.3 . 1 . . . . . 10 MLE CD1 . 27800 1 154 . 1 . 1 10 10 MLE CD2 C 13 23.6 0.3 . 1 . . . . . 10 MLE CD2 . 27800 1 155 . 1 . 1 10 10 MLE CN C 13 29.9 0.3 . 1 . . . . . 10 MLE CN . 27800 1 156 . 1 . 1 11 11 MVA HA H 1 5.143 0.005 . 1 . . . . . 11 MVA HA . 27800 1 157 . 1 . 1 11 11 MVA HB H 1 2.173 0.005 . 1 . . . . . 11 MVA HB . 27800 1 158 . 1 . 1 11 11 MVA HG11 H 1 0.949 0.005 . 1 . 3 . . . 11 MVA HG11 . 27800 1 159 . 1 . 1 11 11 MVA HG12 H 1 0.949 0.005 . 1 . 3 . . . 11 MVA HG12 . 27800 1 160 . 1 . 1 11 11 MVA HG13 H 1 0.949 0.005 . 1 . 3 . . . 11 MVA HG13 . 27800 1 161 . 1 . 1 11 11 MVA HG21 H 1 0.842 0.005 . 1 . 3 . . . 11 MVA HG21 . 27800 1 162 . 1 . 1 11 11 MVA HG22 H 1 0.842 0.005 . 1 . 3 . . . 11 MVA HG22 . 27800 1 163 . 1 . 1 11 11 MVA HG23 H 1 0.842 0.005 . 1 . 3 . . . 11 MVA HG23 . 27800 1 164 . 1 . 1 11 11 MVA HN1 H 1 2.705 0.005 . 1 . 3 . . . 11 MVA HN1 . 27800 1 165 . 1 . 1 11 11 MVA HN2 H 1 2.705 0.005 . 1 . 3 . . . 11 MVA HN2 . 27800 1 166 . 1 . 1 11 11 MVA HN3 H 1 2.705 0.005 . 1 . 3 . . . 11 MVA HN3 . 27800 1 167 . 1 . 1 11 11 MVA C C 13 173.9 0.3 . 1 . . . . . 11 MVA C . 27800 1 168 . 1 . 1 11 11 MVA CA C 13 58.1 0.3 . 1 . . . . . 11 MVA CA . 27800 1 169 . 1 . 1 11 11 MVA CB C 13 29.1 0.3 . 1 . . . . . 11 MVA CB . 27800 1 170 . 1 . 1 11 11 MVA CG1 C 13 18.8 0.3 . 1 . . . . . 11 MVA CG1 . 27800 1 171 . 1 . 1 11 11 MVA CG2 C 13 20.2 0.3 . 1 . . . . . 11 MVA CG2 . 27800 1 172 . 1 . 1 11 11 MVA CN C 13 29.9 0.3 . 1 . . . . . 11 MVA CN . 27800 1 stop_ save_