################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 6872 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 NOESY' 1 $sample_1 . 6872 1 2 '2D TOCSY' 1 $sample_1 . 6872 1 3 DQF-COSY 1 $sample_1 . 6872 1 4 E-COSY 1 $sample_1 . 6872 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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 CYS H H 1 7.587 0.002 . . . . . . . . . . . 6872 1 2 . 1 1 1 1 CYS HA H 1 4.952 0.003 . . . . . . . . . . . 6872 1 3 . 1 1 1 1 CYS HB2 H 1 3.629 0.002 . . . . . . . . . . . 6872 1 4 . 1 1 1 1 CYS HB3 H 1 2.311 0.002 . . . . . . . . . . . 6872 1 5 . 1 1 2 2 GLY H H 1 8.410 0.001 . . . . . . . . . . . 6872 1 6 . 1 1 2 2 GLY HA2 H 1 3.804 0.152 . . . . . . . . . . . 6872 1 7 . 1 1 2 2 GLY HA3 H 1 3.533 0.046 . . . . . . . . . . . 6872 1 8 . 1 1 3 3 GLU HA H 1 4.483 0.003 . . . . . . . . . . . 6872 1 9 . 1 1 3 3 GLU HB2 H 1 2.560 0.006 . . . . . . . . . . . 6872 1 10 . 1 1 3 3 GLU HB3 H 1 2.402 0.008 . . . . . . . . . . . 6872 1 11 . 1 1 3 3 GLU HG2 H 1 1.952 0.004 . . . . . . . . . . . 6872 1 12 . 1 1 3 3 GLU HG3 H 1 1.798 0.007 . . . . . . . . . . . 6872 1 13 . 1 1 4 4 THR H H 1 8.581 0.002 . . . . . . . . . . . 6872 1 14 . 1 1 4 4 THR HA H 1 4.388 0.003 . . . . . . . . . . . 6872 1 15 . 1 1 4 4 THR HB H 1 4.270 0.005 . . . . . . . . . . . 6872 1 16 . 1 1 4 4 THR HG21 H 1 1.201 0.008 . . . . . . . . . . . 6872 1 17 . 1 1 4 4 THR HG22 H 1 1.201 0.008 . . . . . . . . . . . 6872 1 18 . 1 1 4 4 THR HG23 H 1 1.201 0.008 . . . . . . . . . . . 6872 1 19 . 1 1 5 5 CYS H H 1 8.297 0.004 . . . . . . . . . . . 6872 1 20 . 1 1 5 5 CYS HA H 1 4.971 0.003 . . . . . . . . . . . 6872 1 21 . 1 1 5 5 CYS HB2 H 1 2.865 0.008 . . . . . . . . . . . 6872 1 22 . 1 1 5 5 CYS HB3 H 1 2.343 0.007 . . . . . . . . . . . 6872 1 23 . 1 1 6 6 LEU H H 1 8.837 0.002 . . . . . . . . . . . 6872 1 24 . 1 1 6 6 LEU HA H 1 3.843 0.005 . . . . . . . . . . . 6872 1 25 . 1 1 6 6 LEU HB2 H 1 1.585 0.007 . . . . . . . . . . . 6872 1 26 . 1 1 6 6 LEU HG H 1 1.459 0.010 . . . . . . . . . . . 6872 1 27 . 1 1 6 6 LEU HD11 H 1 0.807 0.005 . . . . . . . . . . . 6872 1 28 . 1 1 6 6 LEU HD12 H 1 0.807 0.005 . . . . . . . . . . . 6872 1 29 . 1 1 6 6 LEU HD13 H 1 0.807 0.005 . . . . . . . . . . . 6872 1 30 . 1 1 6 6 LEU HD21 H 1 0.807 0.005 . . . . . . . . . . . 6872 1 31 . 1 1 6 6 LEU HD22 H 1 0.807 0.005 . . . . . . . . . . . 6872 1 32 . 1 1 6 6 LEU HD23 H 1 0.807 0.005 . . . . . . . . . . . 6872 1 33 . 1 1 7 7 LEU H H 1 7.994 0.003 . . . . . . . . . . . 6872 1 34 . 1 1 7 7 LEU HA H 1 4.382 0.002 . . . . . . . . . . . 6872 1 35 . 1 1 7 7 LEU HB2 H 1 1.629 0.011 . . . . . . . . . . . 6872 1 36 . 1 1 7 7 LEU HB3 H 1 1.560 0.007 . . . . . . . . . . . 6872 1 37 . 1 1 7 7 LEU HG H 1 1.419 0.007 . . . . . . . . . . . 6872 1 38 . 1 1 7 7 LEU HD11 H 1 0.765 0.007 . . . . . . . . . . . 6872 1 39 . 1 1 7 7 LEU HD12 H 1 0.765 0.007 . . . . . . . . . . . 6872 1 40 . 1 1 7 7 LEU HD13 H 1 0.765 0.007 . . . . . . . . . . . 6872 1 41 . 1 1 7 7 LEU HD21 H 1 0.689 0.005 . . . . . . . . . . . 6872 1 42 . 1 1 7 7 LEU HD22 H 1 0.689 0.005 . . . . . . . . . . . 6872 1 43 . 1 1 7 7 LEU HD23 H 1 0.689 0.005 . . . . . . . . . . . 6872 1 44 . 1 1 8 8 GLY H H 1 7.673 0.006 . . . . . . . . . . . 6872 1 45 . 1 1 8 8 GLY HA2 H 1 4.143 0.003 . . . . . . . . . . . 6872 1 46 . 1 1 8 8 GLY HA3 H 1 3.736 0.005 . . . . . . . . . . . 6872 1 47 . 1 1 9 9 THR H H 1 7.355 0.007 . . . . . . . . . . . 6872 1 48 . 1 1 9 9 THR HA H 1 4.325 0.003 . . . . . . . . . . . 6872 1 49 . 1 1 9 9 THR HB H 1 3.538 0.007 . . . . . . . . . . . 6872 1 50 . 1 1 9 9 THR HG21 H 1 0.557 0.009 . . . . . . . . . . . 6872 1 51 . 1 1 9 9 THR HG22 H 1 0.557 0.009 . . . . . . . . . . . 6872 1 52 . 1 1 9 9 THR HG23 H 1 0.557 0.009 . . . . . . . . . . . 6872 1 53 . 1 1 10 10 CYS H H 1 8.690 0.002 . . . . . . . . . . . 6872 1 54 . 1 1 10 10 CYS HA H 1 4.300 0.004 . . . . . . . . . . . 6872 1 55 . 1 1 10 10 CYS HB2 H 1 2.548 0.001 . . . . . . . . . . . 6872 1 56 . 1 1 10 10 CYS HB3 H 1 2.944 0.001 . . . . . . . . . . . 6872 1 57 . 1 1 11 11 TYR H H 1 8.699 0.002 . . . . . . . . . . . 6872 1 58 . 1 1 11 11 TYR HA H 1 4.209 0.002 . . . . . . . . . . . 6872 1 59 . 1 1 11 11 TYR HB2 H 1 2.983 0.008 . . . . . . . . . . . 6872 1 60 . 1 1 11 11 TYR HB3 H 1 2.694 0.008 . . . . . . . . . . . 6872 1 61 . 1 1 11 11 TYR HE1 H 1 6.596 0.002 . . . . . . . . . . . 6872 1 62 . 1 1 11 11 TYR HD1 H 1 6.955 0.007 . . . . . . . . . . . 6872 1 63 . 1 1 12 12 THR H H 1 7.956 0.004 . . . . . . . . . . . 6872 1 64 . 1 1 12 12 THR HA H 1 4.167 0.002 . . . . . . . . . . . 6872 1 65 . 1 1 12 12 THR HB H 1 4.006 0.005 . . . . . . . . . . . 6872 1 66 . 1 1 12 12 THR HG21 H 1 1.172 0.008 . . . . . . . . . . . 6872 1 67 . 1 1 12 12 THR HG22 H 1 1.172 0.008 . . . . . . . . . . . 6872 1 68 . 1 1 12 12 THR HG23 H 1 1.172 0.008 . . . . . . . . . . . 6872 1 69 . 1 1 13 13 THR H H 1 8.452 0.005 . . . . . . . . . . . 6872 1 70 . 1 1 13 13 THR HA H 1 3.728 0.002 . . . . . . . . . . . 6872 1 71 . 1 1 13 13 THR HB H 1 3.835 0.005 . . . . . . . . . . . 6872 1 72 . 1 1 13 13 THR HG21 H 1 1.059 0.007 . . . . . . . . . . . 6872 1 73 . 1 1 13 13 THR HG22 H 1 1.059 0.007 . . . . . . . . . . . 6872 1 74 . 1 1 13 13 THR HG23 H 1 1.059 0.007 . . . . . . . . . . . 6872 1 75 . 1 1 14 14 GLY H H 1 8.790 0.002 . . . . . . . . . . . 6872 1 76 . 1 1 14 14 GLY HA2 H 1 4.018 0.003 . . . . . . . . . . . 6872 1 77 . 1 1 14 14 GLY HA3 H 1 3.505 0.008 . . . . . . . . . . . 6872 1 78 . 1 1 15 15 CYS H H 1 7.602 0.005 . . . . . . . . . . . 6872 1 79 . 1 1 15 15 CYS HA H 1 4.883 0.005 . . . . . . . . . . . 6872 1 80 . 1 1 15 15 CYS HB2 H 1 3.281 0.008 . . . . . . . . . . . 6872 1 81 . 1 1 15 15 CYS HB3 H 1 2.479 0.007 . . . . . . . . . . . 6872 1 82 . 1 1 16 16 THR H H 1 9.369 0.003 . . . . . . . . . . . 6872 1 83 . 1 1 16 16 THR HA H 1 4.356 0.005 . . . . . . . . . . . 6872 1 84 . 1 1 16 16 THR HB H 1 3.917 0.004 . . . . . . . . . . . 6872 1 85 . 1 1 16 16 THR HG21 H 1 0.953 0.008 . . . . . . . . . . . 6872 1 86 . 1 1 16 16 THR HG22 H 1 0.953 0.008 . . . . . . . . . . . 6872 1 87 . 1 1 16 16 THR HG23 H 1 0.953 0.008 . . . . . . . . . . . 6872 1 88 . 1 1 17 17 CYS H H 1 8.669 0.005 . . . . . . . . . . . 6872 1 89 . 1 1 17 17 CYS HA H 1 4.355 0.004 . . . . . . . . . . . 6872 1 90 . 1 1 17 17 CYS HB2 H 1 2.791 0.007 . . . . . . . . . . . 6872 1 91 . 1 1 17 17 CYS HB3 H 1 2.552 0.011 . . . . . . . . . . . 6872 1 92 . 1 1 18 18 ASN H H 1 8.624 0.005 . . . . . . . . . . . 6872 1 93 . 1 1 18 18 ASN HA H 1 4.559 0.002 . . . . . . . . . . . 6872 1 94 . 1 1 18 18 ASN HB2 H 1 3.408 0.005 . . . . . . . . . . . 6872 1 95 . 1 1 18 18 ASN HB3 H 1 2.870 0.005 . . . . . . . . . . . 6872 1 96 . 1 1 18 18 ASN HD21 H 1 7.120 0.004 . . . . . . . . . . . 6872 1 97 . 1 1 18 18 ASN HD22 H 1 7.412 0.002 . . . . . . . . . . . 6872 1 98 . 1 1 19 19 LYS H H 1 8.256 0.006 . . . . . . . . . . . 6872 1 99 . 1 1 19 19 LYS HA H 1 3.820 0.003 . . . . . . . . . . . 6872 1 100 . 1 1 19 19 LYS HB2 H 1 1.465 0.010 . . . . . . . . . . . 6872 1 101 . 1 1 19 19 LYS HG2 H 1 0.324 0.008 . . . . . . . . . . . 6872 1 102 . 1 1 19 19 LYS HD2 H 1 1.253 0.010 . . . . . . . . . . . 6872 1 103 . 1 1 19 19 LYS HD3 H 1 0.784 0.009 . . . . . . . . . . . 6872 1 104 . 1 1 19 19 LYS HE2 H 1 2.589 0.003 . . . . . . . . . . . 6872 1 105 . 1 1 19 19 LYS HZ1 H 1 7.324 0.001 . . . . . . . . . . . 6872 1 106 . 1 1 19 19 LYS HZ2 H 1 7.324 0.001 . . . . . . . . . . . 6872 1 107 . 1 1 19 19 LYS HZ3 H 1 7.324 0.001 . . . . . . . . . . . 6872 1 108 . 1 1 20 20 TYR H H 1 7.410 0.009 . . . . . . . . . . . 6872 1 109 . 1 1 20 20 TYR HA H 1 4.402 0.006 . . . . . . . . . . . 6872 1 110 . 1 1 20 20 TYR HB2 H 1 3.226 0.007 . . . . . . . . . . . 6872 1 111 . 1 1 20 20 TYR HB3 H 1 2.576 0.011 . . . . . . . . . . . 6872 1 112 . 1 1 20 20 TYR HE1 H 1 6.645 0.003 . . . . . . . . . . . 6872 1 113 . 1 1 20 20 TYR HD1 H 1 6.897 0.002 . . . . . . . . . . . 6872 1 114 . 1 1 21 21 ARG H H 1 8.095 0.005 . . . . . . . . . . . 6872 1 115 . 1 1 21 21 ARG HA H 1 3.635 0.001 . . . . . . . . . . . 6872 1 116 . 1 1 21 21 ARG HB2 H 1 2.143 0.005 . . . . . . . . . . . 6872 1 117 . 1 1 21 21 ARG HG2 H 1 1.496 0.010 . . . . . . . . . . . 6872 1 118 . 1 1 21 21 ARG HG3 H 1 1.434 0.007 . . . . . . . . . . . 6872 1 119 . 1 1 21 21 ARG HD2 H 1 3.054 0.004 . . . . . . . . . . . 6872 1 120 . 1 1 21 21 ARG HE H 1 6.735 0.005 . . . . . . . . . . . 6872 1 121 . 1 1 22 22 VAL H H 1 7.666 0.008 . . . . . . . . . . . 6872 1 122 . 1 1 22 22 VAL HA H 1 4.050 0.004 . . . . . . . . . . . 6872 1 123 . 1 1 22 22 VAL HB H 1 1.681 0.007 . . . . . . . . . . . 6872 1 124 . 1 1 22 22 VAL HG11 H 1 0.712 0.008 . . . . . . . . . . . 6872 1 125 . 1 1 22 22 VAL HG12 H 1 0.712 0.008 . . . . . . . . . . . 6872 1 126 . 1 1 22 22 VAL HG13 H 1 0.712 0.008 . . . . . . . . . . . 6872 1 127 . 1 1 22 22 VAL HG21 H 1 0.677 0.002 . . . . . . . . . . . 6872 1 128 . 1 1 22 22 VAL HG22 H 1 0.677 0.002 . . . . . . . . . . . 6872 1 129 . 1 1 22 22 VAL HG23 H 1 0.677 0.002 . . . . . . . . . . . 6872 1 130 . 1 1 23 23 CYS H H 1 8.209 0.003 . . . . . . . . . . . 6872 1 131 . 1 1 23 23 CYS HA H 1 4.928 0.005 . . . . . . . . . . . 6872 1 132 . 1 1 23 23 CYS HB2 H 1 3.110 0.007 . . . . . . . . . . . 6872 1 133 . 1 1 23 23 CYS HB3 H 1 2.602 0.010 . . . . . . . . . . . 6872 1 134 . 1 1 24 24 THR H H 1 9.492 0.002 . . . . . . . . . . . 6872 1 135 . 1 1 24 24 THR HA H 1 4.725 0.009 . . . . . . . . . . . 6872 1 136 . 1 1 24 24 THR HB H 1 3.735 0.002 . . . . . . . . . . . 6872 1 137 . 1 1 24 24 THR HG21 H 1 0.885 0.007 . . . . . . . . . . . 6872 1 138 . 1 1 24 24 THR HG22 H 1 0.885 0.007 . . . . . . . . . . . 6872 1 139 . 1 1 24 24 THR HG23 H 1 0.885 0.007 . . . . . . . . . . . 6872 1 140 . 1 1 25 25 LYS H H 1 8.450 0.004 . . . . . . . . . . . 6872 1 141 . 1 1 25 25 LYS HA H 1 4.540 0.003 . . . . . . . . . . . 6872 1 142 . 1 1 25 25 LYS HB2 H 1 1.650 0.005 . . . . . . . . . . . 6872 1 143 . 1 1 25 25 LYS HG2 H 1 1.194 0.005 . . . . . . . . . . . 6872 1 144 . 1 1 25 25 LYS HG3 H 1 1.057 0.005 . . . . . . . . . . . 6872 1 145 . 1 1 25 25 LYS HD2 H 1 1.483 0.002 . . . . . . . . . . . 6872 1 146 . 1 1 25 25 LYS HD3 H 1 1.440 0.001 . . . . . . . . . . . 6872 1 147 . 1 1 25 25 LYS HE2 H 1 2.754 0.004 . . . . . . . . . . . 6872 1 148 . 1 1 25 25 LYS HZ1 H 1 7.416 0.001 . . . . . . . . . . . 6872 1 149 . 1 1 25 25 LYS HZ2 H 1 7.416 0.001 . . . . . . . . . . . 6872 1 150 . 1 1 25 25 LYS HZ3 H 1 7.416 0.001 . . . . . . . . . . . 6872 1 151 . 1 1 26 26 ASP H H 1 9.485 0.002 . . . . . . . . . . . 6872 1 152 . 1 1 26 26 ASP HA H 1 4.199 0.002 . . . . . . . . . . . 6872 1 153 . 1 1 26 26 ASP HB2 H 1 2.908 0.009 . . . . . . . . . . . 6872 1 154 . 1 1 26 26 ASP HB3 H 1 2.622 0.004 . . . . . . . . . . . 6872 1 155 . 1 1 27 27 GLY H H 1 8.575 0.002 . . . . . . . . . . . 6872 1 156 . 1 1 27 27 GLY HA2 H 1 4.021 0.002 . . . . . . . . . . . 6872 1 157 . 1 1 27 27 GLY HA3 H 1 3.530 0.006 . . . . . . . . . . . 6872 1 158 . 1 1 28 28 SER H H 1 7.746 0.007 . . . . . . . . . . . 6872 1 159 . 1 1 28 28 SER HA H 1 4.692 0.003 . . . . . . . . . . . 6872 1 160 . 1 1 28 28 SER HB2 H 1 3.753 0.007 . . . . . . . . . . . 6872 1 161 . 1 1 28 28 SER HB3 H 1 3.648 0.006 . . . . . . . . . . . 6872 1 162 . 1 1 29 29 VAL H H 1 8.202 0.003 . . . . . . . . . . . 6872 1 163 . 1 1 29 29 VAL HA H 1 4.186 0.003 . . . . . . . . . . . 6872 1 164 . 1 1 29 29 VAL HB H 1 2.154 0.007 . . . . . . . . . . . 6872 1 165 . 1 1 29 29 VAL HG11 H 1 0.803 0.010 . . . . . . . . . . . 6872 1 166 . 1 1 29 29 VAL HG12 H 1 0.803 0.010 . . . . . . . . . . . 6872 1 167 . 1 1 29 29 VAL HG13 H 1 0.803 0.010 . . . . . . . . . . . 6872 1 168 . 1 1 29 29 VAL HG21 H 1 0.751 0.002 . . . . . . . . . . . 6872 1 169 . 1 1 29 29 VAL HG22 H 1 0.751 0.002 . . . . . . . . . . . 6872 1 170 . 1 1 29 29 VAL HG23 H 1 0.751 0.002 . . . . . . . . . . . 6872 1 171 . 1 1 30 30 LEU H H 1 8.134 0.002 . . . . . . . . . . . 6872 1 172 . 1 1 30 30 LEU HA H 1 3.956 0.002 . . . . . . . . . . . 6872 1 173 . 1 1 30 30 LEU HB2 H 1 1.440 0.011 . . . . . . . . . . . 6872 1 174 . 1 1 30 30 LEU HG H 1 1.362 0.005 . . . . . . . . . . . 6872 1 175 . 1 1 30 30 LEU HD11 H 1 0.751 0.002 . . . . . . . . . . . 6872 1 176 . 1 1 30 30 LEU HD12 H 1 0.751 0.002 . . . . . . . . . . . 6872 1 177 . 1 1 30 30 LEU HD13 H 1 0.751 0.002 . . . . . . . . . . . 6872 1 178 . 1 1 30 30 LEU HD21 H 1 0.708 0.002 . . . . . . . . . . . 6872 1 179 . 1 1 30 30 LEU HD22 H 1 0.708 0.002 . . . . . . . . . . . 6872 1 180 . 1 1 30 30 LEU HD23 H 1 0.708 0.002 . . . . . . . . . . . 6872 1 181 . 1 1 31 31 ASN H H 1 8.257 0.001 . . . . . . . . . . . 6872 1 182 . 1 1 31 31 ASN HA H 1 4.412 0.002 . . . . . . . . . . . 6872 1 183 . 1 1 31 31 ASN HB2 H 1 2.719 0.003 . . . . . . . . . . . 6872 1 stop_ save_