################################### # 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 4359 _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 $sample_1 . 4359 1 . . 2 $sample_2 . 4359 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 . 3 3 8 8 PHE N N 15 119.086 . . . . . . . . . . . 4359 1 2 . 3 3 8 8 PHE H H 1 9.697 . . . . . . . . . . . 4359 1 3 . 3 3 9 9 ASN N N 15 118.763 . . . . . . . . . . . 4359 1 4 . 3 3 9 9 ASN H H 1 9.700 . . . . . . . . . . . 4359 1 5 . 3 3 9 9 ASN CA C 13 52.868 . . . . . . . . . . . 4359 1 6 . 3 3 10 10 LYS N N 15 121.811 . . . . . . . . . . . 4359 1 7 . 3 3 10 10 LYS H H 1 8.722 . . . . . . . . . . . 4359 1 8 . 3 3 10 10 LYS CA C 13 59.093 . . . . . . . . . . . 4359 1 9 . 3 3 11 11 GLN N N 15 117.926 . . . . . . . . . . . 4359 1 10 . 3 3 11 11 GLN H H 1 8.418 . . . . . . . . . . . 4359 1 11 . 3 3 11 11 GLN CA C 13 59.093 . . . . . . . . . . . 4359 1 12 . 3 3 12 12 ALA N N 15 120.777 . . . . . . . . . . . 4359 1 13 . 3 3 12 12 ALA H H 1 7.844 . . . . . . . . . . . 4359 1 14 . 3 3 12 12 ALA CA C 13 54.443 . . . . . . . . . . . 4359 1 15 . 3 3 13 13 THR N N 15 111.982 . . . . . . . . . . . 4359 1 16 . 3 3 13 13 THR H H 1 8.070 . . . . . . . . . . . 4359 1 17 . 3 3 13 13 THR CA C 13 66.782 . . . . . . . . . . . 4359 1 18 . 3 3 14 14 GLU N N 15 121.189 . . . . . . . . . . . 4359 1 19 . 3 3 14 14 GLU H H 1 64.682 . . . . . . . . . . . 4359 1 20 . 3 3 14 14 GLU CA C 13 59.709 . . . . . . . . . . . 4359 1 21 . 3 3 15 15 ILE N N 15 121.018 . . . . . . . . . . . 4359 1 22 . 3 3 15 15 ILE H H 1 7.430 . . . . . . . . . . . 4359 1 23 . 3 3 15 15 ILE CA C 13 64.846 . . . . . . . . . . . 4359 1 24 . 3 3 16 16 LEU N N 15 122.523 . . . . . . . . . . . 4359 1 25 . 3 3 16 16 LEU H H 1 7.885 . . . . . . . . . . . 4359 1 26 . 3 3 16 16 LEU CA C 13 58.183 . . . . . . . . . . . 4359 1 27 . 3 3 17 17 ASN N N 15 117.928 . . . . . . . . . . . 4359 1 28 . 3 3 17 17 ASN H H 1 8.458 . . . . . . . . . . . 4359 1 29 . 3 3 17 17 ASN CA C 13 56.128 . . . . . . . . . . . 4359 1 30 . 3 3 18 18 GLU N N 15 120.167 . . . . . . . . . . . 4359 1 31 . 3 3 18 18 GLU H H 1 8.443 . . . . . . . . . . . 4359 1 32 . 3 3 18 18 GLU CA C 13 60.143 . . . . . . . . . . . 4359 1 33 . 3 3 19 19 TYR N N 15 120.450 . . . . . . . . . . . 4359 1 34 . 3 3 19 19 TYR H H 1 7.998 . . . . . . . . . . . 4359 1 35 . 3 3 19 19 TYR CA C 13 62.325 . . . . . . . . . . . 4359 1 36 . 3 3 20 20 PHE N N 15 122.658 . . . . . . . . . . . 4359 1 37 . 3 3 20 20 PHE H H 1 9.409 . . . . . . . . . . . 4359 1 38 . 3 3 20 20 PHE CA C 13 63.717 . . . . . . . . . . . 4359 1 39 . 3 3 21 21 TYR N N 15 112.324 . . . . . . . . . . . 4359 1 40 . 3 3 21 21 TYR H H 1 8.836 . . . . . . . . . . . 4359 1 41 . 3 3 21 21 TYR CA C 13 62.649 . . . . . . . . . . . 4359 1 42 . 3 3 22 22 SER N N 15 113.187 . . . . . . . . . . . 4359 1 43 . 3 3 22 22 SER H H 1 7.743 . . . . . . . . . . . 4359 1 44 . 3 3 22 22 SER CA C 13 59.261 . . . . . . . . . . . 4359 1 45 . 3 3 23 23 HIS N N 15 120.598 . . . . . . . . . . . 4359 1 46 . 3 3 23 23 HIS H H 1 7.531 . . . . . . . . . . . 4359 1 47 . 3 3 23 23 HIS CA C 13 55.478 . . . . . . . . . . . 4359 1 48 . 3 3 24 24 LEU N N 15 121.239 . . . . . . . . . . . 4359 1 49 . 3 3 24 24 LEU H H 1 7.028 . . . . . . . . . . . 4359 1 50 . 3 3 24 24 LEU CA C 13 57.706 . . . . . . . . . . . 4359 1 51 . 3 3 25 25 SER N N 15 109.855 . . . . . . . . . . . 4359 1 52 . 3 3 25 25 SER H H 1 8.136 . . . . . . . . . . . 4359 1 53 . 3 3 25 25 SER CA C 13 59.609 . . . . . . . . . . . 4359 1 54 . 3 3 26 26 ASN N N 15 115.251 . . . . . . . . . . . 4359 1 55 . 3 3 26 26 ASN H H 1 7.604 . . . . . . . . . . . 4359 1 56 . 3 3 26 26 ASN CA C 13 52.345 . . . . . . . . . . . 4359 1 57 . 3 3 29 29 PRO CA C 13 61.895 . . . . . . . . . . . 4359 1 58 . 3 3 30 30 SER N N 15 118.708 . . . . . . . . . . . 4359 1 59 . 3 3 30 30 SER H H 1 8.262 . . . . . . . . . . . 4359 1 60 . 3 3 30 30 SER CA C 13 56.828 . . . . . . . . . . . 4359 1 61 . 3 3 31 31 GLU N N 15 121.053 . . . . . . . . . . . 4359 1 62 . 3 3 31 31 GLU H H 1 9.078 . . . . . . . . . . . 4359 1 63 . 3 3 31 31 GLU CA C 13 60.239 . . . . . . . . . . . 4359 1 64 . 3 3 32 32 GLU N N 15 118.295 . . . . . . . . . . . 4359 1 65 . 3 3 32 32 GLU H H 1 8.574 . . . . . . . . . . . 4359 1 66 . 3 3 32 32 GLU CA C 13 59.586 . . . . . . . . . . . 4359 1 67 . 3 3 33 33 ALA N N 15 124.396 . . . . . . . . . . . 4359 1 68 . 3 3 33 33 ALA H H 1 7.845 . . . . . . . . . . . 4359 1 69 . 3 3 33 33 ALA CA C 13 54.573 . . . . . . . . . . . 4359 1 70 . 3 3 34 34 LYS N N 15 117.633 . . . . . . . . . . . 4359 1 71 . 3 3 34 34 LYS H H 1 8.753 . . . . . . . . . . . 4359 1 72 . 3 3 34 34 LYS CA C 13 60.631 . . . . . . . . . . . 4359 1 73 . 3 3 35 35 GLU N N 15 118.543 . . . . . . . . . . . 4359 1 74 . 3 3 35 35 GLU H H 1 7.933 . . . . . . . . . . . 4359 1 75 . 3 3 35 35 GLU CA C 13 59.261 . . . . . . . . . . . 4359 1 76 . 3 3 36 36 GLU N N 15 120.622 . . . . . . . . . . . 4359 1 77 . 3 3 36 36 GLU H H 1 7.703 . . . . . . . . . . . 4359 1 78 . 3 3 36 36 GLU CA C 13 59.168 . . . . . . . . . . . 4359 1 79 . 3 3 37 37 LEU N N 15 120.019 . . . . . . . . . . . 4359 1 80 . 3 3 37 37 LEU H H 1 8.357 . . . . . . . . . . . 4359 1 81 . 3 3 37 37 LEU CA C 13 57.776 . . . . . . . . . . . 4359 1 82 . 3 3 38 38 ALA N N 15 122.954 . . . . . . . . . . . 4359 1 83 . 3 3 38 38 ALA H H 1 8.628 . . . . . . . . . . . 4359 1 84 . 3 3 38 38 ALA CA C 13 55.793 . . . . . . . . . . . 4359 1 85 . 3 3 39 39 LYS N N 15 116.661 . . . . . . . . . . . 4359 1 86 . 3 3 39 39 LYS H H 1 7.643 . . . . . . . . . . . 4359 1 87 . 3 3 39 39 LYS CA C 13 58.916 . . . . . . . . . . . 4359 1 88 . 3 3 40 40 LYS N N 15 118.578 . . . . . . . . . . . 4359 1 89 . 3 3 40 40 LYS H H 1 8.033 . . . . . . . . . . . 4359 1 90 . 3 3 40 40 LYS CA C 13 59.182 . . . . . . . . . . . 4359 1 91 . 3 3 41 41 CYS N N 15 113.184 . . . . . . . . . . . 4359 1 92 . 3 3 41 41 CYS H H 1 8.174 . . . . . . . . . . . 4359 1 93 . 3 3 41 41 CYS CA C 13 61.374 . . . . . . . . . . . 4359 1 94 . 3 3 42 42 GLY N N 15 109.487 . . . . . . . . . . . 4359 1 95 . 3 3 42 42 GLY H H 1 7.966 . . . . . . . . . . . 4359 1 96 . 3 3 42 42 GLY CA C 13 46.422 . . . . . . . . . . . 4359 1 97 . 3 3 43 43 ILE N N 15 112.863 . . . . . . . . . . . 4359 1 98 . 3 3 43 43 ILE H H 1 7.599 . . . . . . . . . . . 4359 1 99 . 3 3 43 43 ILE CA C 13 59.018 . . . . . . . . . . . 4359 1 100 . 3 3 44 44 THR N N 15 109.195 . . . . . . . . . . . 4359 1 101 . 3 3 44 44 THR H H 1 8.884 . . . . . . . . . . . 4359 1 102 . 3 3 44 44 THR CA C 13 60.523 . . . . . . . . . . . 4359 1 103 . 3 3 45 45 VAL N N 15 120.406 . . . . . . . . . . . 4359 1 104 . 3 3 45 45 VAL H H 1 8.903 . . . . . . . . . . . 4359 1 105 . 3 3 45 45 VAL CA C 13 67.279 . . . . . . . . . . . 4359 1 106 . 3 3 46 46 SER N N 15 116.066 . . . . . . . . . . . 4359 1 107 . 3 3 46 46 SER H H 1 8.332 . . . . . . . . . . . 4359 1 108 . 3 3 46 46 SER CA C 13 61.871 . . . . . . . . . . . 4359 1 109 . 3 3 47 47 GLN N N 15 120.848 . . . . . . . . . . . 4359 1 110 . 3 3 47 47 GLN H H 1 7.796 . . . . . . . . . . . 4359 1 111 . 3 3 47 47 GLN CA C 13 59.367 . . . . . . . . . . . 4359 1 112 . 3 3 48 48 VAL N N 15 122.383 . . . . . . . . . . . 4359 1 113 . 3 3 48 48 VAL H H 1 8.379 . . . . . . . . . . . 4359 1 114 . 3 3 48 48 VAL CA C 13 67.376 . . . . . . . . . . . 4359 1 115 . 3 3 49 49 SER N N 15 116.460 . . . . . . . . . . . 4359 1 116 . 3 3 49 49 SER H H 1 8.996 . . . . . . . . . . . 4359 1 117 . 3 3 49 49 SER CA C 13 62.629 . . . . . . . . . . . 4359 1 118 . 3 3 50 50 ASN N N 15 120.792 . . . . . . . . . . . 4359 1 119 . 3 3 50 50 ASN H H 1 8.878 . . . . . . . . . . . 4359 1 120 . 3 3 50 50 ASN CA C 13 55.175 . . . . . . . . . . . 4359 1 121 . 3 3 51 51 TRP N N 15 122.966 . . . . . . . . . . . 4359 1 122 . 3 3 51 51 TRP H H 1 8.392 . . . . . . . . . . . 4359 1 123 . 3 3 51 51 TRP CA C 13 61.544 . . . . . . . . . . . 4359 1 124 . 3 3 52 52 PHE N N 15 117.633 . . . . . . . . . . . 4359 1 125 . 3 3 52 52 PHE H H 1 8.811 . . . . . . . . . . . 4359 1 126 . 3 3 52 52 PHE CA C 13 63.456 . . . . . . . . . . . 4359 1 127 . 3 3 53 53 GLY N N 15 107.332 . . . . . . . . . . . 4359 1 128 . 3 3 53 53 GLY H H 1 8.247 . . . . . . . . . . . 4359 1 129 . 3 3 53 53 GLY CA C 13 48.435 . . . . . . . . . . . 4359 1 130 . 3 3 56 56 ARG N N 15 115.051 . . . . . . . . . . . 4359 1 131 . 3 3 56 56 ARG H H 1 8.485 . . . . . . . . . . . 4359 1 132 . 3 3 57 57 ILE N N 15 120.341 . . . . . . . . . . . 4359 1 133 . 3 3 57 57 ILE H H 1 8.202 . . . . . . . . . . . 4359 1 134 . 3 3 59 59 TYR N N 15 120.657 . . . . . . . . . . . 4359 1 135 . 3 3 59 59 TYR H H 1 8.596 . . . . . . . . . . . 4359 1 136 . 3 3 60 60 LYS N N 15 115.081 . . . . . . . . . . . 4359 1 137 . 3 3 60 60 LYS H H 1 7.343 . . . . . . . . . . . 4359 1 138 . 3 3 60 60 LYS CA C 13 58.223 . . . . . . . . . . . 4359 1 139 . 3 3 61 61 LYS N N 15 117.451 . . . . . . . . . . . 4359 1 140 . 3 3 61 61 LYS H H 1 7.550 . . . . . . . . . . . 4359 1 141 . 3 3 61 61 LYS CA C 13 57.562 . . . . . . . . . . . 4359 1 142 . 3 3 62 62 ASN N N 15 117.453 . . . . . . . . . . . 4359 1 143 . 3 3 62 62 ASN H H 1 7.592 . . . . . . . . . . . 4359 1 144 . 3 3 62 62 ASN CA C 13 52.208 . . . . . . . . . . . 4359 1 145 . 3 3 63 63 ILE N N 15 122.945 . . . . . . . . . . . 4359 1 146 . 3 3 63 63 ILE H H 1 8.063 . . . . . . . . . . . 4359 1 147 . 3 3 63 63 ILE CA C 13 64.404 . . . . . . . . . . . 4359 1 148 . 3 3 64 64 GLY N N 15 108.616 . . . . . . . . . . . 4359 1 149 . 3 3 64 64 GLY H H 1 8.581 . . . . . . . . . . . 4359 1 150 . 3 3 64 64 GLY CA C 13 46.503 . . . . . . . . . . . 4359 1 151 . 3 3 65 65 LYS N N 15 121.530 . . . . . . . . . . . 4359 1 152 . 3 3 65 65 LYS H H 1 7.677 . . . . . . . . . . . 4359 1 153 . 3 3 65 65 LYS CA C 13 57.592 . . . . . . . . . . . 4359 1 154 . 3 3 66 66 PHE N N 15 117.583 . . . . . . . . . . . 4359 1 155 . 3 3 66 66 PHE H H 1 7.804 . . . . . . . . . . . 4359 1 156 . 3 3 66 66 PHE CA C 13 59.055 . . . . . . . . . . . 4359 1 157 . 3 3 67 67 GLN N N 15 120.114 . . . . . . . . . . . 4359 1 158 . 3 3 67 67 GLN H H 1 7.793 . . . . . . . . . . . 4359 1 159 . 3 3 67 67 GLN CA C 13 58.518 . . . . . . . . . . . 4359 1 160 . 3 3 68 68 GLU N N 15 119.264 . . . . . . . . . . . 4359 1 161 . 3 3 68 68 GLU H H 1 8.247 . . . . . . . . . . . 4359 1 162 . 3 3 68 68 GLU CA C 13 58.962 . . . . . . . . . . . 4359 1 163 . 3 3 69 69 GLU N N 15 121.066 . . . . . . . . . . . 4359 1 164 . 3 3 69 69 GLU H H 1 8.143 . . . . . . . . . . . 4359 1 165 . 3 3 69 69 GLU CA C 13 59.252 . . . . . . . . . . . 4359 1 166 . 3 3 70 70 ALA N N 15 121.921 . . . . . . . . . . . 4359 1 167 . 3 3 70 70 ALA H H 1 8.612 . . . . . . . . . . . 4359 1 168 . 3 3 70 70 ALA CA C 13 54.553 . . . . . . . . . . . 4359 1 169 . 3 3 71 71 ASN N N 15 115.847 . . . . . . . . . . . 4359 1 170 . 3 3 71 71 ASN H H 1 7.941 . . . . . . . . . . . 4359 1 171 . 3 3 71 71 ASN CA C 13 54.962 . . . . . . . . . . . 4359 1 172 . 3 3 72 72 ILE N N 15 121.674 . . . . . . . . . . . 4359 1 173 . 3 3 72 72 ILE H H 1 7.821 . . . . . . . . . . . 4359 1 174 . 3 3 72 72 ILE CA C 13 63.968 . . . . . . . . . . . 4359 1 175 . 3 3 73 73 TYR N N 15 118.221 . . . . . . . . . . . 4359 1 176 . 3 3 73 73 TYR H H 1 7.807 . . . . . . . . . . . 4359 1 177 . 3 3 73 73 TYR CA C 13 61.180 . . . . . . . . . . . 4359 1 178 . 3 3 74 74 ALA N N 15 123.091 . . . . . . . . . . . 4359 1 179 . 3 3 74 74 ALA H H 1 8.063 . . . . . . . . . . . 4359 1 180 . 3 3 74 74 ALA CA C 13 53.599 . . . . . . . . . . . 4359 1 181 . 3 3 75 75 ALA N N 15 120.706 . . . . . . . . . . . 4359 1 182 . 3 3 75 75 ALA H H 1 7.744 . . . . . . . . . . . 4359 1 183 . 3 3 75 75 ALA CA C 13 53.094 . . . . . . . . . . . 4359 1 184 . 3 3 76 76 LYS N N 15 119.008 . . . . . . . . . . . 4359 1 185 . 3 3 76 76 LYS H H 1 7.912 . . . . . . . . . . . 4359 1 186 . 3 3 76 76 LYS CA C 13 57.063 . . . . . . . . . . . 4359 1 187 . 3 3 77 77 THR N N 15 113.505 . . . . . . . . . . . 4359 1 188 . 3 3 77 77 THR H H 1 7.920 . . . . . . . . . . . 4359 1 189 . 3 3 77 77 THR CA C 13 62.103 . . . . . . . . . . . 4359 1 190 . 3 3 78 78 ALA N N 15 126.001 . . . . . . . . . . . 4359 1 191 . 3 3 78 78 ALA H H 1 8.033 . . . . . . . . . . . 4359 1 192 . 3 3 78 78 ALA CA C 13 52.619 . . . . . . . . . . . 4359 1 193 . 3 3 79 79 VAL N N 15 119.140 . . . . . . . . . . . 4359 1 194 . 3 3 79 79 VAL H H 1 8.053 . . . . . . . . . . . 4359 1 195 . 3 3 79 79 VAL CA C 13 62.441 . . . . . . . . . . . 4359 1 196 . 3 3 80 80 THR N N 15 117.780 . . . . . . . . . . . 4359 1 197 . 3 3 80 80 THR H H 1 8.126 . . . . . . . . . . . 4359 1 198 . 3 3 80 80 THR CA C 13 61.696 . . . . . . . . . . . 4359 1 199 . 3 3 81 81 ALA N N 15 126.647 . . . . . . . . . . . 4359 1 200 . 3 3 81 81 ALA H H 1 8.285 . . . . . . . . . . . 4359 1 201 . 3 3 81 81 ALA CA C 13 52.440 . . . . . . . . . . . 4359 1 202 . 3 3 82 82 THR N N 15 113.046 . . . . . . . . . . . 4359 1 203 . 3 3 82 82 THR H H 1 8.104 . . . . . . . . . . . 4359 1 204 . 3 3 82 82 THR CA C 13 61.682 . . . . . . . . . . . 4359 1 205 . 3 3 83 83 ASN N N 15 121.213 . . . . . . . . . . . 4359 1 206 . 3 3 83 83 ASN H H 1 8.403 . . . . . . . . . . . 4359 1 207 . 3 3 83 83 ASN CA C 13 53.052 . . . . . . . . . . . 4359 1 208 . 3 3 84 84 VAL N N 15 120.195 . . . . . . . . . . . 4359 1 209 . 3 3 84 84 VAL H H 1 8.074 . . . . . . . . . . . 4359 1 210 . 3 3 84 84 VAL CA C 13 62.122 . . . . . . . . . . . 4359 1 211 . 3 3 85 85 SER N N 15 119.416 . . . . . . . . . . . 4359 1 212 . 3 3 85 85 SER H H 1 8.331 . . . . . . . . . . . 4359 1 213 . 3 3 85 85 SER CA C 13 57.979 . . . . . . . . . . . 4359 1 214 . 3 3 86 86 ALA N N 15 126.662 . . . . . . . . . . . 4359 1 215 . 3 3 86 86 ALA H H 1 8.233 . . . . . . . . . . . 4359 1 216 . 3 3 86 86 ALA CA C 13 52.295 . . . . . . . . . . . 4359 1 217 . 3 3 87 87 HIS N N 15 123.057 . . . . . . . . . . . 4359 1 218 . 3 3 87 87 HIS H H 1 7.871 . . . . . . . . . . . 4359 1 219 . 3 3 87 87 HIS CA C 13 56.882 . . . . . . . . . . . 4359 1 stop_ save_