################################### # 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 50731 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name PpcAW45M _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 $chem_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 1 '2D 1H-1H TOCSY' . . . 50731 1 2 '2D 1H-1H NOESY' . . . 50731 1 3 '2D 1H-15N HSQC' . . . 50731 1 4 '2D 1H-1H TOCSY' . . . 50731 1 5 '2D 1H-1H NOESY' . . . 50731 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 $software_1 . . 50731 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 3 3 GLU H H 1 7.545 0.000 . 1 . . . . . 3 GLU HN . 50731 1 2 . 1 . 1 3 3 GLU N N 15 118.944 0.000 . 1 . . . . . 3 GLU N . 50731 1 3 . 1 . 1 4 4 LEU H H 1 8.076 0.000 . 1 . . . . . 4 LEU HN . 50731 1 4 . 1 . 1 4 4 LEU N N 15 123.710 0.000 . 1 . . . . . 4 LEU N . 50731 1 5 . 1 . 1 5 5 THR H H 1 8.432 0.000 . 1 . . . . . 5 THR HN . 50731 1 6 . 1 . 1 5 5 THR N N 15 117.311 0.000 . 1 . . . . . 5 THR N . 50731 1 7 . 1 . 1 6 6 PHE H H 1 9.555 0.000 . 1 . . . . . 6 PHE HN . 50731 1 8 . 1 . 1 6 6 PHE N N 15 128.994 0.000 . 1 . . . . . 6 PHE N . 50731 1 9 . 1 . 1 7 7 LYS H H 1 9.067 0.000 . 1 . . . . . 7 LYS HN . 50731 1 10 . 1 . 1 7 7 LYS N N 15 125.710 0.000 . 1 . . . . . 7 LYS N . 50731 1 11 . 1 . 1 8 8 ALA H H 1 8.422 0.000 . 1 . . . . . 8 ALA HN . 50731 1 12 . 1 . 1 8 8 ALA N N 15 124.841 0.000 . 1 . . . . . 8 ALA N . 50731 1 13 . 1 . 1 9 9 LYS H H 1 10.367 0.000 . 1 . . . . . 9 LYS HN . 50731 1 14 . 1 . 1 9 9 LYS N N 15 125.650 0.000 . 1 . . . . . 9 LYS N . 50731 1 15 . 1 . 1 10 10 ASN H H 1 9.083 0.000 . 1 . . . . . 10 ASN HN . 50731 1 16 . 1 . 1 10 10 ASN HD21 H 1 0.881 0.000 . 2 . . . . . 10 ASN HD21 . 50731 1 17 . 1 . 1 10 10 ASN HD22 H 1 5.629 0.000 . 2 . . . . . 10 ASN HD22 . 50731 1 18 . 1 . 1 10 10 ASN N N 15 113.701 0.000 . 1 . . . . . 10 ASN N . 50731 1 19 . 1 . 1 10 10 ASN ND2 N 15 108.284 0.007 . 1 . . . . . 10 ASN ND2 . 50731 1 20 . 1 . 1 11 11 GLY H H 1 7.052 0.000 . 1 . . . . . 11 GLY HN . 50731 1 21 . 1 . 1 11 11 GLY N N 15 110.515 0.000 . 1 . . . . . 11 GLY N . 50731 1 22 . 1 . 1 12 12 ASP H H 1 8.047 0.000 . 1 . . . . . 12 ASP HN . 50731 1 23 . 1 . 1 12 12 ASP N N 15 129.303 0.000 . 1 . . . . . 12 ASP N . 50731 1 24 . 1 . 1 13 13 VAL H H 1 8.680 0.000 . 1 . . . . . 13 VAL HN . 50731 1 25 . 1 . 1 13 13 VAL N N 15 120.845 0.000 . 1 . . . . . 13 VAL N . 50731 1 26 . 1 . 1 14 14 LYS H H 1 8.960 0.000 . 1 . . . . . 14 LYS HN . 50731 1 27 . 1 . 1 14 14 LYS N N 15 128.907 0.000 . 1 . . . . . 14 LYS N . 50731 1 28 . 1 . 1 15 15 PHE H H 1 9.354 0.000 . 1 . . . . . 15 PHE HN . 50731 1 29 . 1 . 1 15 15 PHE N N 15 125.919 0.000 . 1 . . . . . 15 PHE N . 50731 1 30 . 1 . 1 17 17 HIS H H 1 6.518 0.000 . 1 . . . . . 17 HIS HN . 50731 1 31 . 1 . 1 17 17 HIS HD1 H 1 8.695 0.000 . 1 . . . . . 17 HIS HD1 . 50731 1 32 . 1 . 1 17 17 HIS N N 15 132.818 0.000 . 1 . . . . . 17 HIS N . 50731 1 33 . 1 . 1 17 17 HIS ND1 N 15 166.210 0.000 . 1 . . . . . 17 HIS ND1 . 50731 1 34 . 1 . 1 18 18 LYS H H 1 7.373 0.000 . 1 . . . . . 18 LYS HN . 50731 1 35 . 1 . 1 18 18 LYS N N 15 119.148 0.000 . 1 . . . . . 18 LYS N . 50731 1 36 . 1 . 1 19 19 LYS H H 1 7.215 0.000 . 1 . . . . . 19 LYS HN . 50731 1 37 . 1 . 1 19 19 LYS N N 15 118.378 0.000 . 1 . . . . . 19 LYS N . 50731 1 38 . 1 . 1 20 20 HIS H H 1 6.255 0.000 . 1 . . . . . 20 HIS HN . 50731 1 39 . 1 . 1 20 20 HIS HD1 H 1 7.980 0.000 . 1 . . . . . 20 HIS HD1 . 50731 1 40 . 1 . 1 20 20 HIS N N 15 114.051 0.000 . 1 . . . . . 20 HIS N . 50731 1 41 . 1 . 1 20 20 HIS ND1 N 15 162.776 0.000 . 1 . . . . . 20 HIS ND1 . 50731 1 42 . 1 . 1 21 21 GLN H H 1 7.365 0.000 . 1 . . . . . 21 GLN HN . 50731 1 43 . 1 . 1 21 21 GLN HE21 H 1 1.039 0.000 . 2 . . . . . 21 GLN HE21 . 50731 1 44 . 1 . 1 21 21 GLN N N 15 119.390 0.000 . 1 . . . . . 21 GLN N . 50731 1 45 . 1 . 1 21 21 GLN NE2 N 15 105.122 0.000 . 1 . . . . . 21 GLN NE2 . 50731 1 46 . 1 . 1 22 22 GLN H H 1 7.100 0.000 . 1 . . . . . 22 GLN HN . 50731 1 47 . 1 . 1 22 22 GLN HE21 H 1 6.705 0.000 . 2 . . . . . 22 GLN HE21 . 50731 1 48 . 1 . 1 22 22 GLN HE22 H 1 7.290 0.000 . 2 . . . . . 22 GLN HE22 . 50731 1 49 . 1 . 1 22 22 GLN N N 15 116.624 0.000 . 1 . . . . . 22 GLN N . 50731 1 50 . 1 . 1 22 22 GLN NE2 N 15 111.312 0.009 . 1 . . . . . 22 GLN NE2 . 50731 1 51 . 1 . 1 23 23 VAL H H 1 8.038 0.000 . 1 . . . . . 23 VAL HN . 50731 1 52 . 1 . 1 23 23 VAL N N 15 117.937 0.000 . 1 . . . . . 23 VAL N . 50731 1 53 . 1 . 1 24 24 VAL H H 1 8.746 0.000 . 1 . . . . . 24 VAL HN . 50731 1 54 . 1 . 1 24 24 VAL N N 15 120.221 0.000 . 1 . . . . . 24 VAL N . 50731 1 55 . 1 . 1 25 25 GLY H H 1 7.317 0.000 . 1 . . . . . 25 GLY HN . 50731 1 56 . 1 . 1 25 25 GLY N N 15 105.784 0.000 . 1 . . . . . 25 GLY N . 50731 1 57 . 1 . 1 26 26 ASN H H 1 7.708 0.000 . 1 . . . . . 26 ASN HN . 50731 1 58 . 1 . 1 26 26 ASN HD21 H 1 7.062 0.000 . 2 . . . . . 26 ASN HD21 . 50731 1 59 . 1 . 1 26 26 ASN HD22 H 1 7.894 0.000 . 2 . . . . . 26 ASN HD22 . 50731 1 60 . 1 . 1 26 26 ASN N N 15 117.006 0.000 . 1 . . . . . 26 ASN N . 50731 1 61 . 1 . 1 26 26 ASN ND2 N 15 111.959 0.005 . 1 . . . . . 26 ASN ND2 . 50731 1 62 . 1 . 1 27 27 CYS H H 1 8.960 0.000 . 1 . . . . . 27 CYS HN . 50731 1 63 . 1 . 1 27 27 CYS N N 15 122.448 0.000 . 1 . . . . . 27 CYS N . 50731 1 64 . 1 . 1 28 28 LYS H H 1 7.916 0.000 . 1 . . . . . 28 LYS HN . 50731 1 65 . 1 . 1 28 28 LYS N N 15 115.184 0.000 . 1 . . . . . 28 LYS N . 50731 1 66 . 1 . 1 29 29 LYS H H 1 7.524 0.000 . 1 . . . . . 29 LYS HN . 50731 1 67 . 1 . 1 29 29 LYS N N 15 117.721 0.000 . 1 . . . . . 29 LYS N . 50731 1 68 . 1 . 1 30 30 CYS H H 1 6.308 0.000 . 1 . . . . . 30 CYS HN . 50731 1 69 . 1 . 1 30 30 CYS N N 15 111.592 0.000 . 1 . . . . . 30 CYS N . 50731 1 70 . 1 . 1 31 31 HIS H H 1 7.090 0.000 . 1 . . . . . 31 HIS HN . 50731 1 71 . 1 . 1 31 31 HIS HD1 H 1 8.595 0.000 . 1 . . . . . 31 HIS HD1 . 50731 1 72 . 1 . 1 31 31 HIS N N 15 116.861 0.000 . 1 . . . . . 31 HIS N . 50731 1 73 . 1 . 1 31 31 HIS ND1 N 15 163.972 0.000 . 1 . . . . . 31 HIS ND1 . 50731 1 74 . 1 . 1 32 32 GLU H H 1 8.166 0.000 . 1 . . . . . 32 GLU HN . 50731 1 75 . 1 . 1 32 32 GLU N N 15 125.684 0.000 . 1 . . . . . 32 GLU N . 50731 1 76 . 1 . 1 33 33 LYS H H 1 8.228 0.000 . 1 . . . . . 33 LYS HN . 50731 1 77 . 1 . 1 33 33 LYS N N 15 115.194 0.000 . 1 . . . . . 33 LYS N . 50731 1 78 . 1 . 1 34 34 GLY H H 1 6.669 0.000 . 1 . . . . . 34 GLY HN . 50731 1 79 . 1 . 1 34 34 GLY N N 15 107.197 0.000 . 1 . . . . . 34 GLY N . 50731 1 80 . 1 . 1 36 36 GLY H H 1 3.838 0.000 . 1 . . . . . 36 GLY HN . 50731 1 81 . 1 . 1 36 36 GLY N N 15 109.335 0.000 . 1 . . . . . 36 GLY N . 50731 1 82 . 1 . 1 37 37 LYS H H 1 8.083 0.000 . 1 . . . . . 37 LYS HN . 50731 1 83 . 1 . 1 37 37 LYS N N 15 116.650 0.000 . 1 . . . . . 37 LYS N . 50731 1 84 . 1 . 1 38 38 ILE H H 1 10.616 0.000 . 1 . . . . . 38 ILE HN . 50731 1 85 . 1 . 1 38 38 ILE N N 15 128.850 0.000 . 1 . . . . . 38 ILE N . 50731 1 86 . 1 . 1 39 39 GLU H H 1 8.693 0.000 . 1 . . . . . 39 GLU HN . 50731 1 87 . 1 . 1 39 39 GLU N N 15 130.879 0.000 . 1 . . . . . 39 GLU N . 50731 1 88 . 1 . 1 40 40 GLY H H 1 9.224 0.000 . 1 . . . . . 40 GLY HN . 50731 1 89 . 1 . 1 40 40 GLY N N 15 113.486 0.000 . 1 . . . . . 40 GLY N . 50731 1 90 . 1 . 1 41 41 PHE H H 1 8.035 0.000 . 1 . . . . . 41 PHE HN . 50731 1 91 . 1 . 1 41 41 PHE N N 15 121.702 0.000 . 1 . . . . . 41 PHE N . 50731 1 92 . 1 . 1 42 42 GLY H H 1 5.976 0.000 . 1 . . . . . 42 GLY HN . 50731 1 93 . 1 . 1 42 42 GLY N N 15 114.543 0.000 . 1 . . . . . 42 GLY N . 50731 1 94 . 1 . 1 43 43 LYS H H 1 8.915 0.000 . 1 . . . . . 43 LYS HN . 50731 1 95 . 1 . 1 43 43 LYS N N 15 122.308 0.000 . 1 . . . . . 43 LYS N . 50731 1 96 . 1 . 1 44 44 ASP H H 1 7.868 0.000 . 1 . . . . . 44 ASP HN . 50731 1 97 . 1 . 1 44 44 ASP N N 15 115.399 0.000 . 1 . . . . . 44 ASP N . 50731 1 98 . 1 . 1 45 45 MET H H 1 8.034 0.000 . 1 . . . . . 45 MET HN . 50731 1 99 . 1 . 1 45 45 MET N N 15 119.179 0.000 . 1 . . . . . 45 MET N . 50731 1 100 . 1 . 1 46 46 ALA H H 1 8.388 0.000 . 1 . . . . . 46 ALA HN . 50731 1 101 . 1 . 1 46 46 ALA N N 15 123.064 0.000 . 1 . . . . . 46 ALA N . 50731 1 102 . 1 . 1 47 47 HIS H H 1 7.238 0.000 . 1 . . . . . 47 HIS HN . 50731 1 103 . 1 . 1 47 47 HIS N N 15 115.976 0.000 . 1 . . . . . 47 HIS N . 50731 1 104 . 1 . 1 48 48 LYS H H 1 7.076 0.000 . 1 . . . . . 48 LYS HN . 50731 1 105 . 1 . 1 48 48 LYS N N 15 117.981 0.000 . 1 . . . . . 48 LYS N . 50731 1 106 . 1 . 1 49 49 THR H H 1 8.680 0.000 . 1 . . . . . 49 THR HN . 50731 1 107 . 1 . 1 49 49 THR N N 15 114.984 0.000 . 1 . . . . . 49 THR N . 50731 1 108 . 1 . 1 50 50 CYS H H 1 8.774 0.000 . 1 . . . . . 50 CYS HN . 50731 1 109 . 1 . 1 50 50 CYS N N 15 121.686 0.000 . 1 . . . . . 50 CYS N . 50731 1 110 . 1 . 1 51 51 LYS H H 1 5.971 0.000 . 1 . . . . . 51 LYS HN . 50731 1 111 . 1 . 1 51 51 LYS N N 15 112.780 0.000 . 1 . . . . . 51 LYS N . 50731 1 112 . 1 . 1 52 52 GLY H H 1 6.413 0.000 . 1 . . . . . 52 GLY HN . 50731 1 113 . 1 . 1 52 52 GLY N N 15 101.723 0.000 . 1 . . . . . 52 GLY N . 50731 1 114 . 1 . 1 53 53 CYS H H 1 7.093 0.000 . 1 . . . . . 53 CYS HN . 50731 1 115 . 1 . 1 53 53 CYS N N 15 121.479 0.000 . 1 . . . . . 53 CYS N . 50731 1 116 . 1 . 1 54 54 HIS H H 1 6.086 0.000 . 1 . . . . . 54 HIS HN . 50731 1 117 . 1 . 1 54 54 HIS HD1 H 1 9.623 0.000 . 1 . . . . . 54 HIS HD1 . 50731 1 118 . 1 . 1 54 54 HIS N N 15 117.410 0.000 . 1 . . . . . 54 HIS N . 50731 1 119 . 1 . 1 54 54 HIS ND1 N 15 165.558 0.000 . 1 . . . . . 54 HIS ND1 . 50731 1 120 . 1 . 1 55 55 GLU H H 1 8.005 0.000 . 1 . . . . . 55 GLU HN . 50731 1 121 . 1 . 1 55 55 GLU N N 15 117.679 0.000 . 1 . . . . . 55 GLU N . 50731 1 122 . 1 . 1 56 56 GLU H H 1 7.698 0.000 . 1 . . . . . 56 GLU HN . 50731 1 123 . 1 . 1 56 56 GLU N N 15 120.819 0.000 . 1 . . . . . 56 GLU N . 50731 1 124 . 1 . 1 57 57 MET H H 1 9.004 0.000 . 1 . . . . . 57 MET HN . 50731 1 125 . 1 . 1 57 57 MET N N 15 115.149 0.000 . 1 . . . . . 57 MET N . 50731 1 126 . 1 . 1 58 58 LYS H H 1 7.779 0.000 . 1 . . . . . 58 LYS HN . 50731 1 127 . 1 . 1 58 58 LYS N N 15 114.799 0.000 . 1 . . . . . 58 LYS N . 50731 1 128 . 1 . 1 59 59 LYS H H 1 7.680 0.000 . 1 . . . . . 59 LYS HN . 50731 1 129 . 1 . 1 59 59 LYS N N 15 118.847 0.000 . 1 . . . . . 59 LYS N . 50731 1 130 . 1 . 1 60 60 GLY H H 1 7.621 0.000 . 1 . . . . . 60 GLY HN . 50731 1 131 . 1 . 1 60 60 GLY N N 15 103.405 0.000 . 1 . . . . . 60 GLY N . 50731 1 132 . 1 . 1 62 62 THR H H 1 8.760 0.000 . 1 . . . . . 62 THR HN . 50731 1 133 . 1 . 1 62 62 THR N N 15 110.619 0.000 . 1 . . . . . 62 THR N . 50731 1 134 . 1 . 1 63 63 LYS H H 1 8.380 0.000 . 1 . . . . . 63 LYS HN . 50731 1 135 . 1 . 1 63 63 LYS N N 15 124.551 0.000 . 1 . . . . . 63 LYS N . 50731 1 136 . 1 . 1 64 64 CYS H H 1 8.764 0.000 . 1 . . . . . 64 CYS HN . 50731 1 137 . 1 . 1 64 64 CYS N N 15 118.744 0.000 . 1 . . . . . 64 CYS N . 50731 1 138 . 1 . 1 65 65 GLY H H 1 8.869 0.000 . 1 . . . . . 65 GLY HN . 50731 1 139 . 1 . 1 65 65 GLY N N 15 102.366 0.000 . 1 . . . . . 65 GLY N . 50731 1 140 . 1 . 1 66 66 ASP H H 1 7.752 0.000 . 1 . . . . . 66 ASP HN . 50731 1 141 . 1 . 1 66 66 ASP N N 15 117.653 0.000 . 1 . . . . . 66 ASP N . 50731 1 142 . 1 . 1 67 67 CYS H H 1 6.637 0.000 . 1 . . . . . 67 CYS HN . 50731 1 143 . 1 . 1 67 67 CYS N N 15 115.711 0.000 . 1 . . . . . 67 CYS N . 50731 1 144 . 1 . 1 68 68 HIS H H 1 7.017 0.000 . 1 . . . . . 68 HIS HN . 50731 1 145 . 1 . 1 68 68 HIS HD1 H 1 8.894 0.000 . 1 . . . . . 68 HIS HD1 . 50731 1 146 . 1 . 1 68 68 HIS N N 15 118.064 0.000 . 1 . . . . . 68 HIS N . 50731 1 147 . 1 . 1 68 68 HIS ND1 N 15 166.500 0.000 . 1 . . . . . 68 HIS ND1 . 50731 1 148 . 1 . 1 69 69 LYS H H 1 7.282 0.000 . 1 . . . . . 69 LYS HN . 50731 1 149 . 1 . 1 69 69 LYS N N 15 124.241 0.000 . 1 . . . . . 69 LYS N . 50731 1 150 . 1 . 1 70 70 LYS H H 1 7.934 0.000 . 1 . . . . . 70 LYS HN . 50731 1 151 . 1 . 1 70 70 LYS N N 15 128.595 0.000 . 1 . . . . . 70 LYS N . 50731 1 152 . 2 . 2 1 1 HEM HHC H 1 9.401 0.003 . 1 . . . . . 1 HEM HHC . 50731 1 153 . 2 . 2 1 1 HEM HHD H 1 9.134 0.002 . 1 . . . . . 1 HEM HHD . 50731 1 154 . 2 . 2 1 1 HEM HHB H 1 9.513 0.002 . 1 . . . . . 1 HEM HHB . 50731 1 155 . 2 . 2 1 1 HEM HHA H 1 9.324 0.000 . 1 . . . . . 1 HEM HHA . 50731 1 156 . 2 . 2 1 1 HEM HAB H 1 5.965 0.002 . 1 . . . . . 1 HEM HAB . 50731 1 157 . 2 . 2 1 1 HEM HAC H 1 6.274 0.002 . 1 . . . . . 1 HEM HAC . 50731 1 158 . 2 . 2 1 1 HEM HMB H 1 3.526 0.002 . 1 . . . . . 1 HEM HMB . 50731 1 159 . 2 . 2 1 1 HEM HMC H 1 3.455 0.003 . 1 . . . . . 1 HEM HMC . 50731 1 160 . 2 . 2 1 1 HEM HMD H 1 2.673 0.001 . 1 . . . . . 1 HEM HMD . 50731 1 161 . 2 . 2 1 1 HEM HMA H 1 3.345 0.000 . 1 . . . . . 1 HEM HMA . 50731 1 162 . 2 . 2 1 1 HEM HBB H 1 2.107 0.001 . 1 . . . . . 1 HEM HBB . 50731 1 163 . 2 . 2 1 1 HEM HBC H 1 1.866 0.002 . 1 . . . . . 1 HEM HBC . 50731 1 164 . 3 . 2 1 1 HEM HHC H 1 9.737 0.001 . 1 . . . . . 1 HEM HHC . 50731 1 165 . 3 . 2 1 1 HEM HHD H 1 9.857 0.001 . 1 . . . . . 1 HEM HHD . 50731 1 166 . 3 . 2 1 1 HEM HHB H 1 10.222 0.001 . 1 . . . . . 1 HEM HHB . 50731 1 167 . 3 . 2 1 1 HEM HHA H 1 9.504 0.000 . 1 . . . . . 1 HEM HHA . 50731 1 168 . 3 . 2 1 1 HEM HAB H 1 6.537 0.002 . 1 . . . . . 1 HEM HAB . 50731 1 169 . 3 . 2 1 1 HEM HAC H 1 6.572 0.002 . 1 . . . . . 1 HEM HAC . 50731 1 170 . 3 . 2 1 1 HEM HMB H 1 4.367 0.004 . 1 . . . . . 1 HEM HMB . 50731 1 171 . 3 . 2 1 1 HEM HMC H 1 4.016 0.000 . 1 . . . . . 1 HEM HMC . 50731 1 172 . 3 . 2 1 1 HEM HMD H 1 3.475 0.001 . 1 . . . . . 1 HEM HMD . 50731 1 173 . 3 . 2 1 1 HEM HMA H 1 3.928 0.000 . 1 . . . . . 1 HEM HMA . 50731 1 174 . 3 . 2 1 1 HEM HBB H 1 2.161 0.061 . 1 . . . . . 1 HEM HBB . 50731 1 175 . 3 . 2 1 1 HEM HBC H 1 2.945 0.001 . 1 . . . . . 1 HEM HBC . 50731 1 176 . 4 . 2 1 1 HEM HHC H 1 9.027 0.002 . 1 . . . . . 1 HEM HHC . 50731 1 177 . 4 . 2 1 1 HEM HHD H 1 9.345 0.003 . 1 . . . . . 1 HEM HHD . 50731 1 178 . 4 . 2 1 1 HEM HHB H 1 9.425 0.000 . 1 . . . . . 1 HEM HHB . 50731 1 179 . 4 . 2 1 1 HEM HHA H 1 9.439 0.000 . 1 . . . . . 1 HEM HHA . 50731 1 180 . 4 . 2 1 1 HEM HAB H 1 5.917 0.002 . 1 . . . . . 1 HEM HAB . 50731 1 181 . 4 . 2 1 1 HEM HAC H 1 6.335 0.002 . 1 . . . . . 1 HEM HAC . 50731 1 182 . 4 . 2 1 1 HEM HMB H 1 3.610 0.001 . 1 . . . . . 1 HEM HMB . 50731 1 183 . 4 . 2 1 1 HEM HMC H 1 3.042 0.002 . 1 . . . . . 1 HEM HMC . 50731 1 184 . 4 . 2 1 1 HEM HMD H 1 3.669 0.001 . 1 . . . . . 1 HEM HMD . 50731 1 185 . 4 . 2 1 1 HEM HMA H 1 3.336 0.001 . 1 . . . . . 1 HEM HMA . 50731 1 186 . 4 . 2 1 1 HEM HBB H 1 2.064 0.001 . 1 . . . . . 1 HEM HBB . 50731 1 187 . 4 . 2 1 1 HEM HBC H 1 1.540 0.002 . 1 . . . . . 1 HEM HBC . 50731 1 stop_ save_