################################### # 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 27712 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond1 _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 1 '2D 1H-15N HSQC/HMQC' 1 $s1 isotropic 27712 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 $CcpNmr_Analysis . . 27712 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 3 3 GLN H H 1 8.316 . . 1 . . 103 . . 3 GLN H . 27712 1 2 . 1 1 3 3 GLN HE21 H 1 6.831 . . 1 . . 173 . . 3 GLN HE21 . 27712 1 3 . 1 1 3 3 GLN HE22 H 1 7.539 . . 1 . . 171 . . 3 GLN HE22 . 27712 1 4 . 1 1 3 3 GLN N N 15 119.602 . . 1 . . 104 . . 3 GLN N . 27712 1 5 . 1 1 3 3 GLN NE2 N 15 112.497 0.001 . 1 . . 172 . . 3 GLN NE2 . 27712 1 6 . 1 1 4 4 LEU H H 1 8.268 . . 1 . . 156 . . 4 LEU H . 27712 1 7 . 1 1 4 4 LEU N N 15 123.075 . . 1 . . 157 . . 4 LEU N . 27712 1 8 . 1 1 5 5 THR H H 1 8.709 . . 1 . . 13 . . 5 THR H . 27712 1 9 . 1 1 5 5 THR N N 15 113.013 . . 1 . . 14 . . 5 THR N . 27712 1 10 . 1 1 6 6 GLU H H 1 9.029 . . 1 . . 27 . . 6 GLU H . 27712 1 11 . 1 1 6 6 GLU N N 15 120.561 . . 1 . . 28 . . 6 GLU N . 27712 1 12 . 1 1 7 7 GLU H H 1 8.736 . . 1 . . 49 . . 7 GLU H . 27712 1 13 . 1 1 7 7 GLU N N 15 119.554 . . 1 . . 50 . . 7 GLU N . 27712 1 14 . 1 1 8 8 GLN H H 1 7.730 . . 1 . . 68 . . 8 GLN H . 27712 1 15 . 1 1 8 8 GLN HE21 H 1 6.749 . . 1 . . 138 . . 8 GLN HE21 . 27712 1 16 . 1 1 8 8 GLN HE22 H 1 7.471 . . 1 . . 43 . . 8 GLN HE22 . 27712 1 17 . 1 1 8 8 GLN N N 15 120.363 . . 1 . . 69 . . 8 GLN N . 27712 1 18 . 1 1 8 8 GLN NE2 N 15 111.309 0.001 . 1 . . 44 . . 8 GLN NE2 . 27712 1 19 . 1 1 9 9 ILE H H 1 8.368 . . 1 . . 136 . . 9 ILE H . 27712 1 20 . 1 1 9 9 ILE N N 15 119.491 . . 1 . . 137 . . 9 ILE N . 27712 1 21 . 1 1 10 10 ALA H H 1 8.003 . . 1 . . 76 . . 10 ALA H . 27712 1 22 . 1 1 10 10 ALA N N 15 121.259 . . 1 . . 77 . . 10 ALA N . 27712 1 23 . 1 1 11 11 GLU H H 1 7.782 . . 1 . . 126 . . 11 GLU H . 27712 1 24 . 1 1 11 11 GLU N N 15 119.792 . . 1 . . 127 . . 11 GLU N . 27712 1 25 . 1 1 12 12 PHE H H 1 8.591 . . 1 . . 132 . . 12 PHE H . 27712 1 26 . 1 1 12 12 PHE N N 15 120.208 . . 1 . . 133 . . 12 PHE N . 27712 1 27 . 1 1 13 13 LYS H H 1 9.207 . . 1 . . 25 . . 13 LYS H . 27712 1 28 . 1 1 13 13 LYS N N 15 123.685 . . 1 . . 26 . . 13 LYS N . 27712 1 29 . 1 1 14 14 GLU H H 1 7.816 . . 1 . . 121 . . 14 GLU H . 27712 1 30 . 1 1 14 14 GLU N N 15 120.447 . . 1 . . 122 . . 14 GLU N . 27712 1 31 . 1 1 15 15 ALA H H 1 7.977 . . 1 . . 45 . . 15 ALA H . 27712 1 32 . 1 1 15 15 ALA N N 15 122.572 . . 1 . . 46 . . 15 ALA N . 27712 1 33 . 1 1 16 16 PHE H H 1 8.775 . . 1 . . 35 . . 16 PHE H . 27712 1 34 . 1 1 16 16 PHE N N 15 119.237 . . 1 . . 36 . . 16 PHE N . 27712 1 35 . 1 1 17 17 SER H H 1 7.974 . . 1 . . 84 . . 17 SER H . 27712 1 36 . 1 1 17 17 SER N N 15 112.792 . . 1 . . 85 . . 17 SER N . 27712 1 37 . 1 1 18 18 LEU H H 1 7.405 . . 1 . . 113 . . 18 LEU H . 27712 1 38 . 1 1 18 18 LEU N N 15 121.061 . . 1 . . 114 . . 18 LEU N . 27712 1 39 . 1 1 19 19 PHE H H 1 7.193 . . 1 . . 130 . . 19 PHE H . 27712 1 40 . 1 1 19 19 PHE N N 15 114.635 . . 1 . . 131 . . 19 PHE N . 27712 1 41 . 1 1 20 20 ASP H H 1 7.801 . . 1 . . 7 . . 20 ASP H . 27712 1 42 . 1 1 20 20 ASP N N 15 117.278 . . 1 . . 8 . . 20 ASP N . 27712 1 43 . 1 1 21 21 LYS H H 1 7.712 . . 1 . . 17 . . 21 LYS H . 27712 1 44 . 1 1 21 21 LYS N N 15 124.734 . . 1 . . 18 . . 21 LYS N . 27712 1 45 . 1 1 22 22 ASP H H 1 8.079 . . 1 . . 66 . . 22 ASP H . 27712 1 46 . 1 1 22 22 ASP N N 15 114.024 . . 1 . . 67 . . 22 ASP N . 27712 1 47 . 1 1 23 23 GLY H H 1 7.688 . . 1 . . 57 . . 23 GLY H . 27712 1 48 . 1 1 23 23 GLY N N 15 109.313 . . 1 . . 58 . . 23 GLY N . 27712 1 49 . 1 1 24 24 ASP H H 1 8.413 . . 1 . . 148 . . 24 ASP H . 27712 1 50 . 1 1 24 24 ASP N N 15 120.802 . . 1 . . 149 . . 24 ASP N . 27712 1 51 . 1 1 25 25 GLY H H 1 10.636 . . 1 . . 124 . . 25 GLY H . 27712 1 52 . 1 1 25 25 GLY N N 15 113.239 . . 1 . . 125 . . 25 GLY N . 27712 1 53 . 1 1 26 26 THR H H 1 8.171 . . 1 . . 101 . . 26 THR H . 27712 1 54 . 1 1 26 26 THR N N 15 112.832 . . 1 . . 102 . . 26 THR N . 27712 1 55 . 1 1 27 27 ILE H H 1 9.860 . . 1 . . 64 . . 27 ILE H . 27712 1 56 . 1 1 27 27 ILE N N 15 127.283 . . 1 . . 65 . . 27 ILE N . 27712 1 57 . 1 1 28 28 THR H H 1 8.406 . . 1 . . 152 . . 28 THR H . 27712 1 58 . 1 1 28 28 THR N N 15 116.482 . . 1 . . 153 . . 28 THR N . 27712 1 59 . 1 1 29 29 THR H H 1 9.094 . . 1 . . 74 . . 29 THR H . 27712 1 60 . 1 1 29 29 THR N N 15 113.034 . . 1 . . 75 . . 29 THR N . 27712 1 61 . 1 1 30 30 LYS H H 1 7.669 . . 1 . . 98 . . 30 LYS H . 27712 1 62 . 1 1 30 30 LYS N N 15 120.804 . . 1 . . 99 . . 30 LYS N . 27712 1 63 . 1 1 31 31 GLU H H 1 7.675 . . 1 . . 5 . . 31 GLU H . 27712 1 64 . 1 1 31 31 GLU N N 15 121.694 . . 1 . . 6 . . 31 GLU N . 27712 1 65 . 1 1 32 32 LEU H H 1 8.683 . . 1 . . 37 . . 32 LEU H . 27712 1 66 . 1 1 32 32 LEU N N 15 120.656 . . 1 . . 38 . . 32 LEU N . 27712 1 67 . 1 1 33 33 GLY H H 1 8.672 . . 1 . . 154 . . 33 GLY H . 27712 1 68 . 1 1 33 33 GLY N N 15 105.773 . . 1 . . 155 . . 33 GLY N . 27712 1 69 . 1 1 34 34 THR H H 1 7.933 . . 1 . . 70 . . 34 THR H . 27712 1 70 . 1 1 34 34 THR N N 15 118.142 . . 1 . . 71 . . 34 THR N . 27712 1 71 . 1 1 35 35 VAL H H 1 7.670 . . 1 . . 164 . . 35 VAL H . 27712 1 72 . 1 1 35 35 VAL N N 15 122.175 . . 1 . . 165 . . 35 VAL N . 27712 1 73 . 1 1 36 36 MET H H 1 8.551 . . 1 . . 19 . . 36 MET H . 27712 1 74 . 1 1 36 36 MET N N 15 118.487 . . 1 . . 20 . . 36 MET N . 27712 1 75 . 1 1 37 37 ARG H H 1 8.485 . . 1 . . 128 . . 37 ARG H . 27712 1 76 . 1 1 37 37 ARG N N 15 119.029 . . 1 . . 129 . . 37 ARG N . 27712 1 77 . 1 1 38 38 SER H H 1 7.929 . . 1 . . 55 . . 38 SER H . 27712 1 78 . 1 1 38 38 SER N N 15 118.970 . . 1 . . 56 . . 38 SER N . 27712 1 79 . 1 1 39 39 LEU H H 1 7.397 . . 1 . . 11 . . 39 LEU H . 27712 1 80 . 1 1 39 39 LEU N N 15 120.415 . . 1 . . 12 . . 39 LEU N . 27712 1 81 . 1 1 40 40 GLY H H 1 7.891 . . 1 . . 47 . . 40 GLY H . 27712 1 82 . 1 1 40 40 GLY N N 15 106.915 . . 1 . . 48 . . 40 GLY N . 27712 1 83 . 1 1 41 41 GLN H H 1 7.809 . . 1 . . 86 . . 41 GLN H . 27712 1 84 . 1 1 41 41 GLN HE21 H 1 7.338 . . 1 . . 59 . . 41 GLN HE21 . 27712 1 85 . 1 1 41 41 GLN HE22 H 1 6.708 . . 1 . . 39 . . 41 GLN HE22 . 27712 1 86 . 1 1 41 41 GLN N N 15 118.372 . . 1 . . 87 . . 41 GLN N . 27712 1 87 . 1 1 41 41 GLN NE2 N 15 111.319 0.0 . 1 . . 40 . . 41 GLN NE2 . 27712 1 88 . 1 1 42 42 ASN H H 1 8.706 . . 1 . . 21 . . 42 ASN H . 27712 1 89 . 1 1 42 42 ASN HD21 H 1 6.724 . . 1 . . 100 . . 42 ASN HD21 . 27712 1 90 . 1 1 42 42 ASN HD22 H 1 7.524 . . 1 . . 96 . . 42 ASN HD22 . 27712 1 91 . 1 1 42 42 ASN N N 15 116.477 . . 1 . . 22 . . 42 ASN N . 27712 1 92 . 1 1 42 42 ASN ND2 N 15 112.125 0.001 . 1 . . 97 . . 42 ASN ND2 . 27712 1 93 . 1 1 44 44 THR H H 1 8.752 . . 1 . . 117 . . 44 THR H . 27712 1 94 . 1 1 44 44 THR N N 15 112.930 . . 1 . . 118 . . 44 THR N . 27712 1 95 . 1 1 45 45 GLU H H 1 8.813 . . 1 . . 160 . . 45 GLU H . 27712 1 96 . 1 1 45 45 GLU N N 15 120.779 . . 1 . . 161 . . 45 GLU N . 27712 1 97 . 1 1 46 46 ALA H H 1 8.258 . . 1 . . 115 . . 46 ALA H . 27712 1 98 . 1 1 46 46 ALA N N 15 120.818 . . 1 . . 116 . . 46 ALA N . 27712 1 99 . 1 1 47 47 GLU H H 1 7.688 . . 1 . . 139 . . 47 GLU H . 27712 1 100 . 1 1 47 47 GLU N N 15 118.800 . . 1 . . 140 . . 47 GLU N . 27712 1 101 . 1 1 48 48 LEU H H 1 8.192 . . 1 . . 53 . . 48 LEU H . 27712 1 102 . 1 1 48 48 LEU N N 15 120.371 . . 1 . . 54 . . 48 LEU N . 27712 1 103 . 1 1 49 49 GLN H H 1 8.189 . . 1 . . 119 . . 49 GLN H . 27712 1 104 . 1 1 49 49 GLN HE21 H 1 7.496 . . 1 . . 145 . . 49 GLN HE21 . 27712 1 105 . 1 1 49 49 GLN HE22 H 1 6.911 . . 1 . . 143 . . 49 GLN HE22 . 27712 1 106 . 1 1 49 49 GLN N N 15 118.261 . . 1 . . 120 . . 49 GLN N . 27712 1 107 . 1 1 49 49 GLN NE2 N 15 113.054 0.0 . 1 . . 144 . . 49 GLN NE2 . 27712 1 108 . 1 1 50 50 ASP H H 1 8.086 . . 1 . . 146 . . 50 ASP H . 27712 1 109 . 1 1 50 50 ASP N N 15 120.067 . . 1 . . 147 . . 50 ASP N . 27712 1 110 . 1 1 51 51 MET H H 1 7.901 . . 1 . . 72 . . 51 MET H . 27712 1 111 . 1 1 51 51 MET N N 15 119.405 . . 1 . . 73 . . 51 MET N . 27712 1 112 . 1 1 52 52 ILE H H 1 7.718 . . 1 . . 90 . . 52 ILE H . 27712 1 113 . 1 1 52 52 ILE N N 15 118.193 . . 1 . . 91 . . 52 ILE N . 27712 1 114 . 1 1 53 53 ASN H H 1 8.658 . . 1 . . 51 . . 53 ASN H . 27712 1 115 . 1 1 53 53 ASN HD21 H 1 7.848 . . 1 . . 33 . . 53 ASN HD21 . 27712 1 116 . 1 1 53 53 ASN HD22 H 1 6.939 . . 1 . . 123 . . 53 ASN HD22 . 27712 1 117 . 1 1 53 53 ASN N N 15 118.026 . . 1 . . 52 . . 53 ASN N . 27712 1 118 . 1 1 53 53 ASN ND2 N 15 111.682 0.0 . 1 . . 34 . . 53 ASN ND2 . 27712 1 119 . 1 1 54 54 GLU H H 1 7.590 . . 1 . . 29 . . 54 GLU H . 27712 1 120 . 1 1 54 54 GLU N N 15 116.482 . . 1 . . 30 . . 54 GLU N . 27712 1 121 . 1 1 55 55 VAL H H 1 7.196 . . 1 . . 107 . . 55 VAL H . 27712 1 122 . 1 1 55 55 VAL N N 15 109.832 . . 1 . . 108 . . 55 VAL N . 27712 1 123 . 1 1 56 56 ASP H H 1 7.648 . . 1 . . 3 . . 56 ASP H . 27712 1 124 . 1 1 56 56 ASP N N 15 121.746 . . 1 . . 4 . . 56 ASP N . 27712 1 125 . 1 1 57 57 ALA H H 1 8.301 . . 1 . . 15 . . 57 ALA H . 27712 1 126 . 1 1 57 57 ALA N N 15 131.618 . . 1 . . 16 . . 57 ALA N . 27712 1 127 . 1 1 58 58 ASP H H 1 8.192 . . 1 . . 162 . . 58 ASP H . 27712 1 128 . 1 1 58 58 ASP N N 15 113.781 . . 1 . . 163 . . 58 ASP N . 27712 1 129 . 1 1 59 59 GLY H H 1 7.566 . . 1 . . 141 . . 59 GLY H . 27712 1 130 . 1 1 59 59 GLY N N 15 108.361 . . 1 . . 142 . . 59 GLY N . 27712 1 131 . 1 1 60 60 ASN H H 1 8.105 . . 1 . . 166 . . 60 ASN H . 27712 1 132 . 1 1 60 60 ASN HD21 H 1 7.753 . . 1 . . 168 . . 60 ASN HD21 . 27712 1 133 . 1 1 60 60 ASN HD22 H 1 6.966 . . 1 . . 9 . . 60 ASN HD22 . 27712 1 134 . 1 1 60 60 ASN N N 15 118.637 . . 1 . . 167 . . 60 ASN N . 27712 1 135 . 1 1 60 60 ASN ND2 N 15 115.181 0.001 . 1 . . 10 . . 60 ASN ND2 . 27712 1 136 . 1 1 61 61 GLY H H 1 10.620 . . 1 . . 31 . . 61 GLY H . 27712 1 137 . 1 1 61 61 GLY N N 15 113.618 . . 1 . . 32 . . 61 GLY N . 27712 1 138 . 1 1 62 62 THR H H 1 7.671 . . 1 . . 1 . . 62 THR H . 27712 1 139 . 1 1 62 62 THR N N 15 108.774 . . 1 . . 2 . . 62 THR N . 27712 1 140 . 1 1 63 63 ILE H H 1 8.899 . . 1 . . 94 . . 63 ILE H . 27712 1 141 . 1 1 63 63 ILE N N 15 124.367 . . 1 . . 95 . . 63 ILE N . 27712 1 142 . 1 1 64 64 ASP H H 1 8.801 . . 1 . . 150 . . 64 ASP H . 27712 1 143 . 1 1 64 64 ASP N N 15 128.220 . . 1 . . 151 . . 64 ASP N . 27712 1 144 . 1 1 65 65 PHE H H 1 8.960 . . 1 . . 80 . . 65 PHE H . 27712 1 145 . 1 1 65 65 PHE N N 15 118.711 . . 1 . . 81 . . 65 PHE N . 27712 1 146 . 1 1 67 67 GLU H H 1 8.084 . . 1 . . 105 . . 67 GLU H . 27712 1 147 . 1 1 67 67 GLU N N 15 117.797 . . 1 . . 106 . . 67 GLU N . 27712 1 148 . 1 1 68 68 PHE H H 1 8.797 . . 1 . . 23 . . 68 PHE H . 27712 1 149 . 1 1 68 68 PHE N N 15 123.864 . . 1 . . 24 . . 68 PHE N . 27712 1 150 . 1 1 69 69 LEU H H 1 8.486 . . 1 . . 41 . . 69 LEU H . 27712 1 151 . 1 1 69 69 LEU N N 15 119.150 . . 1 . . 42 . . 69 LEU N . 27712 1 152 . 1 1 70 70 THR H H 1 7.629 . . 1 . . 62 . . 70 THR H . 27712 1 153 . 1 1 70 70 THR N N 15 115.489 . . 1 . . 63 . . 70 THR N . 27712 1 154 . 1 1 71 71 MET H H 1 7.587 . . 1 . . 158 . . 71 MET H . 27712 1 155 . 1 1 71 71 MET N N 15 121.356 . . 1 . . 159 . . 71 MET N . 27712 1 156 . 1 1 72 72 MET H H 1 8.000 . . 1 . . 60 . . 72 MET H . 27712 1 157 . 1 1 72 72 MET N N 15 117.174 . . 1 . . 61 . . 72 MET N . 27712 1 158 . 1 1 73 73 ALA H H 1 8.215 . . 1 . . 92 . . 73 ALA H . 27712 1 159 . 1 1 73 73 ALA N N 15 121.745 . . 1 . . 93 . . 73 ALA N . 27712 1 160 . 1 1 74 74 ARG H H 1 7.519 . . 1 . . 88 . . 74 ARG H . 27712 1 161 . 1 1 74 74 ARG N N 15 116.687 . . 1 . . 89 . . 74 ARG N . 27712 1 162 . 1 1 75 75 LYS H H 1 7.705 . . 1 . . 111 . . 75 LYS H . 27712 1 163 . 1 1 75 75 LYS N N 15 118.554 . . 1 . . 112 . . 75 LYS N . 27712 1 164 . 1 1 76 76 MET H H 1 7.790 . . 1 . . 82 . . 76 MET H . 27712 1 165 . 1 1 76 76 MET N N 15 118.568 . . 1 . . 83 . . 76 MET N . 27712 1 166 . 1 1 77 77 LYS H H 1 7.801 . . 1 . . 109 . . 77 LYS H . 27712 1 167 . 1 1 77 77 LYS N N 15 120.300 . . 1 . . 110 . . 77 LYS N . 27712 1 168 . 1 1 78 78 ASP H H 1 8.225 . . 1 . . 78 . . 78 ASP H . 27712 1 169 . 1 1 78 78 ASP N N 15 121.534 . . 1 . . 79 . . 78 ASP N . 27712 1 170 . 1 1 79 79 THR H H 1 7.942 . . 1 . . 134 . . 79 THR H . 27712 1 171 . 1 1 79 79 THR N N 15 112.993 . . 1 . . 135 . . 79 THR N . 27712 1 172 . 1 1 80 80 ASP H H 1 7.983 . . 1 . . 169 . . 80 ASP H . 27712 1 173 . 1 1 80 80 ASP N N 15 128.004 . . 1 . . 170 . . 80 ASP N . 27712 1 stop_ save_