################################### # 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_assign_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assign_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 4358 _Assigned_chem_shift_list.ID 1 _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 _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 $Pbx1-HD+C_sample_1 . 4358 1 . . 2 $Pbx1-HD+C_sample_2 . 4358 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.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 8 8 PHE N N 15 122.088 . . . . . . . . . . . 4358 1 2 . 1 1 8 8 PHE H H 1 8.399 . . . . . . . . . . . 4358 1 3 . 1 1 9 9 ASN N N 15 121.795 . . . . . . . . . . . 4358 1 4 . 1 1 9 9 ASN H H 1 8.396 . . . . . . . . . . . 4358 1 5 . 1 1 10 10 LYS CA C 13 58.982 . . . . . . . . . . . 4358 1 6 . 1 1 11 11 GLN N N 15 119.497 . . . . . . . . . . . 4358 1 7 . 1 1 11 11 GLN H H 1 8.325 . . . . . . . . . . . 4358 1 8 . 1 1 11 11 GLN CA C 13 58.717 . . . . . . . . . . . 4358 1 9 . 1 1 12 12 ALA N N 15 121.462 . . . . . . . . . . . 4358 1 10 . 1 1 12 12 ALA H H 1 8.105 . . . . . . . . . . . 4358 1 11 . 1 1 12 12 ALA CA C 13 54.659 . . . . . . . . . . . 4358 1 12 . 1 1 13 13 THR N N 15 111.857 . . . . . . . . . . . 4358 1 13 . 1 1 13 13 THR H H 1 7.936 . . . . . . . . . . . 4358 1 14 . 1 1 13 13 THR CA C 13 67.086 . . . . . . . . . . . 4358 1 15 . 1 1 15 15 ILE N N 15 122.294 . . . . . . . . . . . 4358 1 16 . 1 1 15 15 ILE H H 1 7.694 . . . . . . . . . . . 4358 1 17 . 1 1 15 15 ILE CA C 13 64.822 . . . . . . . . . . . 4358 1 18 . 1 1 16 16 LEU N N 15 122.062 . . . . . . . . . . . 4358 1 19 . 1 1 16 16 LEU H H 1 8.038 . . . . . . . . . . . 4358 1 20 . 1 1 16 16 LEU CA C 13 57.982 . . . . . . . . . . . 4358 1 21 . 1 1 17 17 ASN N N 15 118.540 . . . . . . . . . . . 4358 1 22 . 1 1 17 17 ASN H H 1 8.431 . . . . . . . . . . . 4358 1 23 . 1 1 17 17 ASN CA C 13 56.060 . . . . . . . . . . . 4358 1 24 . 1 1 18 18 GLU N N 15 119.968 . . . . . . . . . . . 4358 1 25 . 1 1 18 18 GLU H H 1 8.197 . . . . . . . . . . . 4358 1 26 . 1 1 18 18 GLU CA C 13 59.832 . . . . . . . . . . . 4358 1 27 . 1 1 19 19 TYR N N 15 120.071 . . . . . . . . . . . 4358 1 28 . 1 1 19 19 TYR H H 1 7.899 . . . . . . . . . . . 4358 1 29 . 1 1 19 19 TYR CA C 13 62.393 . . . . . . . . . . . 4358 1 30 . 1 1 20 20 PHE N N 15 122.216 . . . . . . . . . . . 4358 1 31 . 1 1 20 20 PHE H H 1 9.443 . . . . . . . . . . . 4358 1 32 . 1 1 20 20 PHE CA C 13 63.264 . . . . . . . . . . . 4358 1 33 . 1 1 21 21 TYR N N 15 112.490 . . . . . . . . . . . 4358 1 34 . 1 1 21 21 TYR H H 1 8.744 . . . . . . . . . . . 4358 1 35 . 1 1 21 21 TYR CA C 13 62.138 . . . . . . . . . . . 4358 1 36 . 1 1 22 22 SER N N 15 112.158 . . . . . . . . . . . 4358 1 37 . 1 1 22 22 SER H H 1 7.601 . . . . . . . . . . . 4358 1 38 . 1 1 22 22 SER CA C 13 58.925 . . . . . . . . . . . 4358 1 39 . 1 1 23 23 HIS N N 15 120.792 . . . . . . . . . . . 4358 1 40 . 1 1 23 23 HIS H H 1 7.442 . . . . . . . . . . . 4358 1 41 . 1 1 23 23 HIS CA C 13 55.450 . . . . . . . . . . . 4358 1 42 . 1 1 24 24 LEU N N 15 121.070 . . . . . . . . . . . 4358 1 43 . 1 1 24 24 LEU H H 1 7.311 . . . . . . . . . . . 4358 1 44 . 1 1 24 24 LEU CA C 13 57.493 . . . . . . . . . . . 4358 1 45 . 1 1 25 25 SER N N 15 110.593 . . . . . . . . . . . 4358 1 46 . 1 1 25 25 SER H H 1 8.134 . . . . . . . . . . . 4358 1 47 . 1 1 25 25 SER CA C 13 59.583 . . . . . . . . . . . 4358 1 48 . 1 1 26 26 ASN N N 15 115.559 . . . . . . . . . . . 4358 1 49 . 1 1 26 26 ASN H H 1 7.515 . . . . . . . . . . . 4358 1 50 . 1 1 26 26 ASN CA C 13 51.812 . . . . . . . . . . . 4358 1 51 . 1 1 29 29 PRO CA C 13 61.823 . . . . . . . . . . . 4358 1 52 . 1 1 30 30 SER N N 15 118.192 . . . . . . . . . . . 4358 1 53 . 1 1 30 30 SER H H 1 8.310 . . . . . . . . . . . 4358 1 54 . 1 1 30 30 SER CA C 13 56.996 . . . . . . . . . . . 4358 1 55 . 1 1 31 31 GLU N N 15 120.440 . . . . . . . . . . . 4358 1 56 . 1 1 31 31 GLU H H 1 8.971 . . . . . . . . . . . 4358 1 57 . 1 1 31 31 GLU CA C 13 59.877 . . . . . . . . . . . 4358 1 58 . 1 1 32 32 GLU N N 15 118.675 . . . . . . . . . . . 4358 1 59 . 1 1 32 32 GLU H H 1 8.708 . . . . . . . . . . . 4358 1 60 . 1 1 32 32 GLU CA C 13 59.798 . . . . . . . . . . . 4358 1 61 . 1 1 33 33 ALA N N 15 124.267 . . . . . . . . . . . 4358 1 62 . 1 1 33 33 ALA H H 1 7.911 . . . . . . . . . . . 4358 1 63 . 1 1 33 33 ALA CA C 13 54.640 . . . . . . . . . . . 4358 1 64 . 1 1 34 34 LYS N N 15 117.086 . . . . . . . . . . . 4358 1 65 . 1 1 34 34 LYS H H 1 8.478 . . . . . . . . . . . 4358 1 66 . 1 1 34 34 LYS CA C 13 60.658 . . . . . . . . . . . 4358 1 67 . 1 1 35 35 GLU N N 15 119.140 . . . . . . . . . . . 4358 1 68 . 1 1 35 35 GLU H H 1 7.987 . . . . . . . . . . . 4358 1 69 . 1 1 35 35 GLU CA C 13 59.260 . . . . . . . . . . . 4358 1 70 . 1 1 36 36 GLU N N 15 120.422 . . . . . . . . . . . 4358 1 71 . 1 1 36 36 GLU H H 1 7.663 . . . . . . . . . . . 4358 1 72 . 1 1 36 36 GLU CA C 13 58.984 . . . . . . . . . . . 4358 1 73 . 1 1 37 37 LEU N N 15 119.894 . . . . . . . . . . . 4358 1 74 . 1 1 37 37 LEU H H 1 8.265 . . . . . . . . . . . 4358 1 75 . 1 1 37 37 LEU CA C 13 57.654 . . . . . . . . . . . 4358 1 76 . 1 1 38 38 ALA N N 15 123.002 . . . . . . . . . . . 4358 1 77 . 1 1 38 38 ALA H H 1 8.647 . . . . . . . . . . . 4358 1 78 . 1 1 38 38 ALA CA C 13 55.755 . . . . . . . . . . . 4358 1 79 . 1 1 39 39 LYS N N 15 116.946 . . . . . . . . . . . 4358 1 80 . 1 1 39 39 LYS H H 1 7.646 . . . . . . . . . . . 4358 1 81 . 1 1 39 39 LYS CA C 13 58.921 . . . . . . . . . . . 4358 1 82 . 1 1 40 40 LYS N N 15 118.815 . . . . . . . . . . . 4358 1 83 . 1 1 40 40 LYS H H 1 8.004 . . . . . . . . . . . 4358 1 84 . 1 1 40 40 LYS CA C 13 59.149 . . . . . . . . . . . 4358 1 85 . 1 1 41 41 CYS N N 15 112.750 . . . . . . . . . . . 4358 1 86 . 1 1 41 41 CYS H H 1 8.076 . . . . . . . . . . . 4358 1 87 . 1 1 41 41 CYS CA C 13 60.947 . . . . . . . . . . . 4358 1 88 . 1 1 42 42 GLY N N 15 109.725 . . . . . . . . . . . 4358 1 89 . 1 1 42 42 GLY H H 1 7.930 . . . . . . . . . . . 4358 1 90 . 1 1 42 42 GLY CA C 13 46.479 . . . . . . . . . . . 4358 1 91 . 1 1 43 43 ILE N N 15 112.228 . . . . . . . . . . . 4358 1 92 . 1 1 43 43 ILE H H 1 7.682 . . . . . . . . . . . 4358 1 93 . 1 1 43 43 ILE CA C 13 58.928 . . . . . . . . . . . 4358 1 94 . 1 1 44 44 THR N N 15 108.311 . . . . . . . . . . . 4358 1 95 . 1 1 44 44 THR H H 1 8.212 . . . . . . . . . . . 4358 1 96 . 1 1 44 44 THR CA C 13 60.215 . . . . . . . . . . . 4358 1 97 . 1 1 45 45 VAL N N 15 120.729 . . . . . . . . . . . 4358 1 98 . 1 1 45 45 VAL H H 1 8.940 . . . . . . . . . . . 4358 1 99 . 1 1 45 45 VAL CA C 13 67.043 . . . . . . . . . . . 4358 1 100 . 1 1 46 46 SER N N 15 115.713 . . . . . . . . . . . 4358 1 101 . 1 1 46 46 SER H H 1 8.385 . . . . . . . . . . . 4358 1 102 . 1 1 46 46 SER CA C 13 61.420 . . . . . . . . . . . 4358 1 103 . 1 1 47 47 GLN N N 15 121.509 . . . . . . . . . . . 4358 1 104 . 1 1 47 47 GLN H H 1 7.812 . . . . . . . . . . . 4358 1 105 . 1 1 47 47 GLN CA C 13 59.291 . . . . . . . . . . . 4358 1 106 . 1 1 48 48 VAL N N 15 121.924 . . . . . . . . . . . 4358 1 107 . 1 1 48 48 VAL H H 1 8.220 . . . . . . . . . . . 4358 1 108 . 1 1 48 48 VAL CA C 13 67.452 . . . . . . . . . . . 4358 1 109 . 1 1 49 49 SER N N 15 115.945 . . . . . . . . . . . 4358 1 110 . 1 1 49 49 SER H H 1 8.976 . . . . . . . . . . . 4358 1 111 . 1 1 49 49 SER CA C 13 62.422 . . . . . . . . . . . 4358 1 112 . 1 1 50 50 ASN N N 15 121.125 . . . . . . . . . . . 4358 1 113 . 1 1 50 50 ASN H H 1 8.602 . . . . . . . . . . . 4358 1 114 . 1 1 50 50 ASN CA C 13 55.850 . . . . . . . . . . . 4358 1 115 . 1 1 51 51 TRP N N 15 122.750 . . . . . . . . . . . 4358 1 116 . 1 1 51 51 TRP H H 1 8.473 . . . . . . . . . . . 4358 1 117 . 1 1 51 51 TRP CA C 13 62.543 . . . . . . . . . . . 4358 1 118 . 1 1 51 51 TRP NE1 N 15 128.879 . . . . . . . . . . . 4358 1 119 . 1 1 51 51 TRP HE1 H 1 9.959 . . . . . . . . . . . 4358 1 120 . 1 1 52 52 PHE N N 15 118.189 . . . . . . . . . . . 4358 1 121 . 1 1 52 52 PHE H H 1 8.768 . . . . . . . . . . . 4358 1 122 . 1 1 52 52 PHE CA C 13 63.353 . . . . . . . . . . . 4358 1 123 . 1 1 53 53 GLY N N 15 106.140 . . . . . . . . . . . 4358 1 124 . 1 1 53 53 GLY H H 1 8.253 . . . . . . . . . . . 4358 1 125 . 1 1 53 53 GLY CA C 13 47.370 . . . . . . . . . . . 4358 1 126 . 1 1 54 54 ASN N N 15 118.609 . . . . . . . . . . . 4358 1 127 . 1 1 54 54 ASN H H 1 7.580 . . . . . . . . . . . 4358 1 128 . 1 1 54 54 ASN CA C 13 55.472 . . . . . . . . . . . 4358 1 129 . 1 1 55 55 LYS N N 15 122.473 . . . . . . . . . . . 4358 1 130 . 1 1 55 55 LYS H H 1 8.070 . . . . . . . . . . . 4358 1 131 . 1 1 55 55 LYS CA C 13 56.997 . . . . . . . . . . . 4358 1 132 . 1 1 56 56 ARG N N 15 115.676 . . . . . . . . . . . 4358 1 133 . 1 1 56 56 ARG H H 1 8.150 . . . . . . . . . . . 4358 1 134 . 1 1 56 56 ARG CA C 13 60.451 . . . . . . . . . . . 4358 1 135 . 1 1 57 57 ILE N N 15 117.471 . . . . . . . . . . . 4358 1 136 . 1 1 57 57 ILE H H 1 7.015 . . . . . . . . . . . 4358 1 137 . 1 1 57 57 ILE CA C 13 64.078 . . . . . . . . . . . 4358 1 138 . 1 1 58 58 ARG N N 15 120.097 . . . . . . . . . . . 4358 1 139 . 1 1 58 58 ARG H H 1 7.754 . . . . . . . . . . . 4358 1 140 . 1 1 58 58 ARG CA C 13 58.637 . . . . . . . . . . . 4358 1 141 . 1 1 60 60 LYS N N 15 117.795 . . . . . . . . . . . 4358 1 142 . 1 1 60 60 LYS H H 1 7.632 . . . . . . . . . . . 4358 1 143 . 1 1 61 61 LYS N N 15 118.740 . . . . . . . . . . . 4358 1 144 . 1 1 61 61 LYS H H 1 7.869 . . . . . . . . . . . 4358 1 145 . 1 1 61 61 LYS CA C 13 58.193 . . . . . . . . . . . 4358 1 146 . 1 1 64 64 GLY CA C 13 45.817 . . . . . . . . . . . 4358 1 147 . 1 1 65 65 LYS N N 15 120.616 . . . . . . . . . . . 4358 1 148 . 1 1 65 65 LYS H H 1 7.965 . . . . . . . . . . . 4358 1 149 . 1 1 65 65 LYS CA C 13 56.175 . . . . . . . . . . . 4358 1 150 . 1 1 66 66 PHE N N 15 120.427 . . . . . . . . . . . 4358 1 151 . 1 1 66 66 PHE H H 1 8.104 . . . . . . . . . . . 4358 1 152 . 1 1 66 66 PHE CA C 13 58.334 . . . . . . . . . . . 4358 1 153 . 1 1 67 67 GLN N N 15 121.806 . . . . . . . . . . . 4358 1 154 . 1 1 67 67 GLN H H 1 8.134 . . . . . . . . . . . 4358 1 155 . 1 1 67 67 GLN CA C 13 56.260 . . . . . . . . . . . 4358 1 156 . 1 1 68 68 GLU N N 15 121.448 . . . . . . . . . . . 4358 1 157 . 1 1 68 68 GLU H H 1 8.288 . . . . . . . . . . . 4358 1 158 . 1 1 68 68 GLU CA C 13 57.091 . . . . . . . . . . . 4358 1 159 . 1 1 69 69 GLU N N 15 121.339 . . . . . . . . . . . 4358 1 160 . 1 1 69 69 GLU H H 1 8.328 . . . . . . . . . . . 4358 1 161 . 1 1 69 69 GLU CA C 13 57.203 . . . . . . . . . . . 4358 1 162 . 1 1 70 70 ALA N N 15 123.564 . . . . . . . . . . . 4358 1 163 . 1 1 70 70 ALA H H 1 8.274 . . . . . . . . . . . 4358 1 164 . 1 1 70 70 ALA CA C 13 53.103 . . . . . . . . . . . 4358 1 165 . 1 1 71 71 ASN N N 15 117.127 . . . . . . . . . . . 4358 1 166 . 1 1 71 71 ASN H H 1 8.163 . . . . . . . . . . . 4358 1 167 . 1 1 71 71 ASN CA C 13 53.519 . . . . . . . . . . . 4358 1 168 . 1 1 72 72 ILE N N 15 120.547 . . . . . . . . . . . 4358 1 169 . 1 1 72 72 ILE H H 1 7.838 . . . . . . . . . . . 4358 1 170 . 1 1 72 72 ILE CA C 13 62.317 . . . . . . . . . . . 4358 1 171 . 1 1 73 73 TYR N N 15 121.311 . . . . . . . . . . . 4358 1 172 . 1 1 73 73 TYR H H 1 7.944 . . . . . . . . . . . 4358 1 173 . 1 1 73 73 TYR CA C 13 58.510 . . . . . . . . . . . 4358 1 174 . 1 1 74 74 ALA N N 15 124.463 . . . . . . . . . . . 4358 1 175 . 1 1 74 74 ALA H H 1 7.906 . . . . . . . . . . . 4358 1 176 . 1 1 74 74 ALA CA C 13 52.515 . . . . . . . . . . . 4358 1 177 . 1 1 75 75 ALA N N 15 122.525 . . . . . . . . . . . 4358 1 178 . 1 1 75 75 ALA H H 1 7.999 . . . . . . . . . . . 4358 1 179 . 1 1 75 75 ALA CA C 13 52.525 . . . . . . . . . . . 4358 1 180 . 1 1 76 76 LYS N N 15 120.047 . . . . . . . . . . . 4358 1 181 . 1 1 76 76 LYS H H 1 8.161 . . . . . . . . . . . 4358 1 182 . 1 1 76 76 LYS CA C 13 56.362 . . . . . . . . . . . 4358 1 183 . 1 1 77 77 THR N N 15 114.690 . . . . . . . . . . . 4358 1 184 . 1 1 77 77 THR H H 1 7.986 . . . . . . . . . . . 4358 1 185 . 1 1 77 77 THR CA C 13 61.641 . . . . . . . . . . . 4358 1 186 . 1 1 78 78 ALA N N 15 126.517 . . . . . . . . . . . 4358 1 187 . 1 1 78 78 ALA H H 1 8.195 . . . . . . . . . . . 4358 1 188 . 1 1 78 78 ALA CA C 13 52.325 . . . . . . . . . . . 4358 1 189 . 1 1 79 79 VAL N N 15 119.601 . . . . . . . . . . . 4358 1 190 . 1 1 79 79 VAL H H 1 8.113 . . . . . . . . . . . 4358 1 191 . 1 1 79 79 VAL CA C 13 62.194 . . . . . . . . . . . 4358 1 192 . 1 1 80 80 THR N N 15 118.116 . . . . . . . . . . . 4358 1 193 . 1 1 80 80 THR H H 1 8.149 . . . . . . . . . . . 4358 1 194 . 1 1 80 80 THR CA C 13 61.514 . . . . . . . . . . . 4358 1 195 . 1 1 81 81 ALA N N 15 126.853 . . . . . . . . . . . 4358 1 196 . 1 1 81 81 ALA H H 1 8.315 . . . . . . . . . . . 4358 1 197 . 1 1 81 81 ALA CA C 13 52.343 . . . . . . . . . . . 4358 1 198 . 1 1 82 82 THR N N 15 113.204 . . . . . . . . . . . 4358 1 199 . 1 1 82 82 THR H H 1 8.114 . . . . . . . . . . . 4358 1 200 . 1 1 82 82 THR CA C 13 61.614 . . . . . . . . . . . 4358 1 201 . 1 1 83 83 ASN N N 15 121.213 . . . . . . . . . . . 4358 1 202 . 1 1 83 83 ASN H H 1 8.403 . . . . . . . . . . . 4358 1 203 . 1 1 83 83 ASN CA C 13 52.984 . . . . . . . . . . . 4358 1 204 . 1 1 84 84 VAL N N 15 120.213 . . . . . . . . . . . 4358 1 205 . 1 1 84 84 VAL H H 1 8.065 . . . . . . . . . . . 4358 1 206 . 1 1 84 84 VAL CA C 13 62.068 . . . . . . . . . . . 4358 1 207 . 1 1 85 85 SER N N 15 119.496 . . . . . . . . . . . 4358 1 208 . 1 1 85 85 SER H H 1 8.325 . . . . . . . . . . . 4358 1 209 . 1 1 85 85 SER CA C 13 57.943 . . . . . . . . . . . 4358 1 210 . 1 1 86 86 ALA N N 15 126.714 . . . . . . . . . . . 4358 1 211 . 1 1 86 86 ALA H H 1 8.248 . . . . . . . . . . . 4358 1 212 . 1 1 86 86 ALA CA C 13 52.307 . . . . . . . . . . . 4358 1 213 . 1 1 87 87 HIS N N 15 123.097 . . . . . . . . . . . 4358 1 214 . 1 1 87 87 HIS H H 1 7.859 . . . . . . . . . . . 4358 1 215 . 1 1 87 87 HIS CA C 13 56.974 . . . . . . . . . . . 4358 1 stop_ save_