################################### # 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_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15887 _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_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 '1H and 15N chemical shift assignments were transferred from the free UHM domain of Puf60 by titration.' _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' . . . 15887 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 3 $NMRView . . 15887 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 11 11 GLU H H 1 8.288 0.0018 . 1 . . . . 4 GLU HN . 15887 1 2 . 1 1 11 11 GLU N N 15 121.872 0.013 . 1 . . . . 4 GLU N . 15887 1 3 . 1 1 12 12 SER H H 1 8.242 0.0018 . 1 . . . . 5 SER HN . 15887 1 4 . 1 1 12 12 SER N N 15 116.349 0.013 . 1 . . . . 5 SER N . 15887 1 5 . 1 1 13 13 THR H H 1 8.431 0.0018 . 1 . . . . 6 THR HN . 15887 1 6 . 1 1 13 13 THR N N 15 113.859 0.013 . 1 . . . . 6 THR N . 15887 1 7 . 1 1 14 14 VAL H H 1 8.852 0.0018 . 1 . . . . 7 VAL HN . 15887 1 8 . 1 1 14 14 VAL N N 15 126.902 0.013 . 1 . . . . 7 VAL N . 15887 1 9 . 1 1 15 15 MET H H 1 9.099 0.0018 . 1 . . . . 8 MET HN . 15887 1 10 . 1 1 15 15 MET N N 15 127.888 0.013 . 1 . . . . 8 MET N . 15887 1 11 . 1 1 16 16 VAL H H 1 9.347 0.0018 . 1 . . . . 9 VAL HN . 15887 1 12 . 1 1 16 16 VAL N N 15 124.404 0.013 . 1 . . . . 9 VAL N . 15887 1 13 . 1 1 17 17 LEU H H 1 9.081 0.0018 . 1 . . . . 10 LEU HN . 15887 1 14 . 1 1 17 17 LEU N N 15 126.341 0.013 . 1 . . . . 10 LEU N . 15887 1 15 . 1 1 18 18 ARG H H 1 9.556 0.0018 . 1 . . . . 11 ARG HN . 15887 1 16 . 1 1 18 18 ARG N N 15 124.025 0.013 . 1 . . . . 11 ARG N . 15887 1 17 . 1 1 19 19 ASN H H 1 8.812 0.0018 . 1 . . . . 12 ASN HN . 15887 1 18 . 1 1 19 19 ASN N N 15 116.589 0.013 . 1 . . . . 12 ASN N . 15887 1 19 . 1 1 21 21 VAL H H 1 6.710 0.0018 . 1 . . . . 14 VAL HN . 15887 1 20 . 1 1 21 21 VAL N N 15 105.891 0.013 . 1 . . . . 14 VAL N . 15887 1 21 . 1 1 22 22 ASP H H 1 8.841 0.0018 . 1 . . . . 15 ASP HN . 15887 1 22 . 1 1 22 22 ASP N N 15 125.440 0.013 . 1 . . . . 15 ASP N . 15887 1 23 . 1 1 24 24 LYS H H 1 8.628 0.0018 . 1 . . . . 17 LYS HN . 15887 1 24 . 1 1 24 24 LYS N N 15 115.905 0.013 . 1 . . . . 17 LYS N . 15887 1 25 . 1 1 25 25 ASP H H 1 8.024 0.0018 . 1 . . . . 18 ASP HN . 15887 1 26 . 1 1 25 25 ASP N N 15 118.369 0.013 . 1 . . . . 18 ASP N . 15887 1 27 . 1 1 26 26 ILE H H 1 7.192 0.0018 . 1 . . . . 19 ILE HN . 15887 1 28 . 1 1 26 26 ILE N N 15 119.861 0.013 . 1 . . . . 19 ILE N . 15887 1 29 . 1 1 27 27 ASP H H 1 7.473 0.0018 . 1 . . . . 20 ASP HN . 15887 1 30 . 1 1 27 27 ASP N N 15 127.084 0.013 . 1 . . . . 20 ASP N . 15887 1 31 . 1 1 28 28 ASP H H 1 8.463 0.0018 . 1 . . . . 21 ASP HN . 15887 1 32 . 1 1 28 28 ASP N N 15 117.959 0.013 . 1 . . . . 21 ASP N . 15887 1 33 . 1 1 29 29 ASP H H 1 8.335 0.0018 . 1 . . . . 22 ASP HN . 15887 1 34 . 1 1 29 29 ASP N N 15 119.144 0.013 . 1 . . . . 22 ASP N . 15887 1 35 . 1 1 30 30 LEU H H 1 7.501 0.0018 . 1 . . . . 23 LEU HN . 15887 1 36 . 1 1 30 30 LEU N N 15 123.357 0.013 . 1 . . . . 23 LEU N . 15887 1 37 . 1 1 31 31 GLU H H 1 8.890 0.0018 . 1 . . . . 24 GLU HN . 15887 1 38 . 1 1 31 31 GLU N N 15 118.570 0.013 . 1 . . . . 24 GLU N . 15887 1 39 . 1 1 32 32 GLY H H 1 8.703 0.0018 . 1 . . . . 25 GLY HN . 15887 1 40 . 1 1 32 32 GLY N N 15 110.308 0.013 . 1 . . . . 25 GLY N . 15887 1 41 . 1 1 33 33 GLU H H 1 8.121 0.0018 . 1 . . . . 26 GLU HN . 15887 1 42 . 1 1 33 33 GLU N N 15 122.839 0.013 . 1 . . . . 26 GLU N . 15887 1 43 . 1 1 36 36 GLU H H 1 8.182 0.0018 . 1 . . . . 29 GLU HN . 15887 1 44 . 1 1 36 36 GLU N N 15 122.120 0.013 . 1 . . . . 29 GLU N . 15887 1 45 . 1 1 39 39 GLY H H 1 8.151 0.0018 . 1 . . . . 32 GLY HN . 15887 1 46 . 1 1 39 39 GLY N N 15 106.194 0.013 . 1 . . . . 32 GLY N . 15887 1 47 . 1 1 40 40 LYS H H 1 7.139 0.0018 . 1 . . . . 33 LYS HN . 15887 1 48 . 1 1 40 40 LYS N N 15 118.311 0.013 . 1 . . . . 33 LYS N . 15887 1 49 . 1 1 41 41 PHE H H 1 7.643 0.0018 . 1 . . . . 34 PHE HN . 15887 1 50 . 1 1 41 41 PHE N N 15 116.108 0.013 . 1 . . . . 34 PHE N . 15887 1 51 . 1 1 42 42 GLY H H 1 7.371 0.0018 . 1 . . . . 35 GLY HN . 15887 1 52 . 1 1 42 42 GLY N N 15 104.262 0.013 . 1 . . . . 35 GLY N . 15887 1 53 . 1 1 43 43 ALA H H 1 8.197 0.0018 . 1 . . . . 36 ALA HN . 15887 1 54 . 1 1 43 43 ALA N N 15 122.074 0.013 . 1 . . . . 36 ALA N . 15887 1 55 . 1 1 44 44 VAL H H 1 8.379 0.0018 . 1 . . . . 37 VAL HN . 15887 1 56 . 1 1 44 44 VAL N N 15 124.916 0.013 . 1 . . . . 37 VAL N . 15887 1 57 . 1 1 45 45 ASN H H 1 9.332 0.0018 . 1 . . . . 38 ASN HN . 15887 1 58 . 1 1 45 45 ASN N N 15 128.207 0.013 . 1 . . . . 38 ASN N . 15887 1 59 . 1 1 46 46 ARG H H 1 7.358 0.0018 . 1 . . . . 39 ARG HN . 15887 1 60 . 1 1 46 46 ARG N N 15 114.987 0.013 . 1 . . . . 39 ARG N . 15887 1 61 . 1 1 47 47 VAL H H 1 8.328 0.0018 . 1 . . . . 40 VAL HN . 15887 1 62 . 1 1 47 47 VAL N N 15 122.705 0.013 . 1 . . . . 40 VAL N . 15887 1 63 . 1 1 48 48 ILE H H 1 9.258 0.0018 . 1 . . . . 41 ILE HN . 15887 1 64 . 1 1 48 48 ILE N N 15 126.085 0.013 . 1 . . . . 41 ILE N . 15887 1 65 . 1 1 49 49 ILE H H 1 9.096 0.0018 . 1 . . . . 42 ILE HN . 15887 1 66 . 1 1 49 49 ILE N N 15 128.950 0.013 . 1 . . . . 42 ILE N . 15887 1 67 . 1 1 50 50 TYR H H 1 9.270 0.0018 . 1 . . . . 43 TYR HN . 15887 1 68 . 1 1 50 50 TYR N N 15 131.799 0.013 . 1 . . . . 43 TYR N . 15887 1 69 . 1 1 51 51 GLN H H 1 8.060 0.0018 . 1 . . . . 44 GLN HN . 15887 1 70 . 1 1 51 51 GLN N N 15 126.195 0.013 . 1 . . . . 44 GLN N . 15887 1 71 . 1 1 52 52 GLU H H 1 8.646 0.0018 . 1 . . . . 45 GLU HN . 15887 1 72 . 1 1 52 52 GLU N N 15 123.132 0.013 . 1 . . . . 45 GLU N . 15887 1 73 . 1 1 53 53 LYS H H 1 8.893 0.0018 . 1 . . . . 46 LYS HN . 15887 1 74 . 1 1 53 53 LYS N N 15 130.483 0.013 . 1 . . . . 46 LYS N . 15887 1 75 . 1 1 54 54 GLN H H 1 9.064 0.0018 . 1 . . . . 47 GLN HN . 15887 1 76 . 1 1 54 54 GLN N N 15 124.124 0.013 . 1 . . . . 47 GLN N . 15887 1 77 . 1 1 55 55 GLY H H 1 7.649 0.0018 . 1 . . . . 48 GLY HN . 15887 1 78 . 1 1 55 55 GLY N N 15 108.867 0.013 . 1 . . . . 48 GLY N . 15887 1 79 . 1 1 56 56 GLU H H 1 8.457 0.0018 . 1 . . . . 49 GLU HN . 15887 1 80 . 1 1 56 56 GLU N N 15 117.034 0.013 . 1 . . . . 49 GLU N . 15887 1 81 . 1 1 57 57 GLU H H 1 8.737 0.0018 . 1 . . . . 50 GLU HN . 15887 1 82 . 1 1 57 57 GLU N N 15 120.334 0.013 . 1 . . . . 50 GLU N . 15887 1 83 . 1 1 58 58 GLU H H 1 8.926 0.0018 . 1 . . . . 51 GLU HN . 15887 1 84 . 1 1 58 58 GLU N N 15 122.256 0.013 . 1 . . . . 51 GLU N . 15887 1 85 . 1 1 59 59 ASP H H 1 8.210 0.0018 . 1 . . . . 52 ASP HN . 15887 1 86 . 1 1 59 59 ASP N N 15 116.035 0.013 . 1 . . . . 52 ASP N . 15887 1 87 . 1 1 60 60 ALA H H 1 7.135 0.0018 . 1 . . . . 53 ALA HN . 15887 1 88 . 1 1 60 60 ALA N N 15 122.116 0.013 . 1 . . . . 53 ALA N . 15887 1 89 . 1 1 61 61 GLU H H 1 8.509 0.0018 . 1 . . . . 54 GLU HN . 15887 1 90 . 1 1 61 61 GLU N N 15 121.488 0.013 . 1 . . . . 54 GLU N . 15887 1 91 . 1 1 62 62 ILE H H 1 8.274 0.0018 . 1 . . . . 55 ILE HN . 15887 1 92 . 1 1 62 62 ILE N N 15 123.365 0.013 . 1 . . . . 55 ILE N . 15887 1 93 . 1 1 63 63 ILE H H 1 8.471 0.0018 . 1 . . . . 56 ILE HN . 15887 1 94 . 1 1 63 63 ILE N N 15 123.983 0.013 . 1 . . . . 56 ILE N . 15887 1 95 . 1 1 64 64 VAL H H 1 8.669 0.0018 . 1 . . . . 57 VAL HN . 15887 1 96 . 1 1 64 64 VAL N N 15 123.186 0.013 . 1 . . . . 57 VAL N . 15887 1 97 . 1 1 65 65 LYS H H 1 9.599 0.0018 . 1 . . . . 58 LYS HN . 15887 1 98 . 1 1 65 65 LYS N N 15 130.312 0.013 . 1 . . . . 58 LYS N . 15887 1 99 . 1 1 66 66 ILE H H 1 8.006 0.0018 . 1 . . . . 59 ILE HN . 15887 1 100 . 1 1 66 66 ILE N N 15 121.383 0.013 . 1 . . . . 59 ILE N . 15887 1 101 . 1 1 67 67 PHE H H 1 9.505 0.0018 . 1 . . . . 60 PHE HN . 15887 1 102 . 1 1 67 67 PHE N N 15 126.268 0.013 . 1 . . . . 60 PHE N . 15887 1 103 . 1 1 68 68 VAL H H 1 9.196 0.0018 . 1 . . . . 61 VAL HN . 15887 1 104 . 1 1 68 68 VAL N N 15 122.190 0.013 . 1 . . . . 61 VAL N . 15887 1 105 . 1 1 69 69 GLU H H 1 8.607 0.0018 . 1 . . . . 62 GLU HN . 15887 1 106 . 1 1 69 69 GLU N N 15 127.998 0.013 . 1 . . . . 62 GLU N . 15887 1 107 . 1 1 71 71 SER H H 1 8.633 0.0018 . 1 . . . . 64 SER HN . 15887 1 108 . 1 1 71 71 SER N N 15 116.237 0.013 . 1 . . . . 64 SER N . 15887 1 109 . 1 1 72 72 ILE H H 1 7.917 0.0018 . 1 . . . . 65 ILE HN . 15887 1 110 . 1 1 72 72 ILE N N 15 116.132 0.013 . 1 . . . . 65 ILE N . 15887 1 111 . 1 1 73 73 ALA H H 1 8.826 0.0018 . 1 . . . . 66 ALA HN . 15887 1 112 . 1 1 73 73 ALA N N 15 126.865 0.013 . 1 . . . . 66 ALA N . 15887 1 113 . 1 1 74 74 SER H H 1 8.067 0.0018 . 1 . . . . 67 SER HN . 15887 1 114 . 1 1 74 74 SER N N 15 110.959 0.013 . 1 . . . . 67 SER N . 15887 1 115 . 1 1 75 75 GLU H H 1 7.291 0.0018 . 1 . . . . 68 GLU HN . 15887 1 116 . 1 1 75 75 GLU N N 15 123.868 0.013 . 1 . . . . 68 GLU N . 15887 1 117 . 1 1 76 76 THR H H 1 7.051 0.0018 . 1 . . . . 69 THR HN . 15887 1 118 . 1 1 76 76 THR N N 15 115.195 0.013 . 1 . . . . 69 THR N . 15887 1 119 . 1 1 77 77 HIS H H 1 7.734 0.0018 . 1 . . . . 70 HIS HN . 15887 1 120 . 1 1 77 77 HIS N N 15 116.577 0.013 . 1 . . . . 70 HIS N . 15887 1 121 . 1 1 78 78 LYS H H 1 7.427 0.0018 . 1 . . . . 71 LYS HN . 15887 1 122 . 1 1 78 78 LYS N N 15 120.433 0.013 . 1 . . . . 71 LYS N . 15887 1 123 . 1 1 79 79 ALA H H 1 7.955 0.0018 . 1 . . . . 72 ALA HN . 15887 1 124 . 1 1 79 79 ALA N N 15 122.666 0.013 . 1 . . . . 72 ALA N . 15887 1 125 . 1 1 80 80 ILE H H 1 8.089 0.0018 . 1 . . . . 73 ILE HN . 15887 1 126 . 1 1 80 80 ILE N N 15 118.236 0.013 . 1 . . . . 73 ILE N . 15887 1 127 . 1 1 82 82 ALA H H 1 7.166 0.0018 . 1 . . . . 75 ALA HN . 15887 1 128 . 1 1 82 82 ALA N N 15 118.911 0.013 . 1 . . . . 75 ALA N . 15887 1 129 . 1 1 83 83 LEU H H 1 8.019 0.0018 . 1 . . . . 76 LEU HN . 15887 1 130 . 1 1 83 83 LEU N N 15 116.600 0.013 . 1 . . . . 76 LEU N . 15887 1 131 . 1 1 85 85 GLY H H 1 8.883 0.0018 . 1 . . . . 78 GLY HN . 15887 1 132 . 1 1 85 85 GLY N N 15 116.272 0.013 . 1 . . . . 78 GLY N . 15887 1 133 . 1 1 86 86 ARG H H 1 7.593 0.0018 . 1 . . . . 79 ARG HN . 15887 1 134 . 1 1 86 86 ARG N N 15 121.802 0.013 . 1 . . . . 79 ARG N . 15887 1 135 . 1 1 90 90 GLY H H 1 8.452 0.0018 . 1 . . . . 83 GLY HN . 15887 1 136 . 1 1 90 90 GLY N N 15 102.553 0.013 . 1 . . . . 83 GLY N . 15887 1 137 . 1 1 91 91 ARG H H 1 8.213 0.0018 . 1 . . . . 84 ARG HN . 15887 1 138 . 1 1 91 91 ARG N N 15 120.470 0.013 . 1 . . . . 84 ARG N . 15887 1 139 . 1 1 95 95 ALA H H 1 8.665 0.0018 . 1 . . . . 88 ALA HN . 15887 1 140 . 1 1 95 95 ALA N N 15 130.910 0.013 . 1 . . . . 88 ALA N . 15887 1 141 . 1 1 96 96 GLU H H 1 8.648 0.0018 . 1 . . . . 89 GLU HN . 15887 1 142 . 1 1 96 96 GLU N N 15 118.065 0.013 . 1 . . . . 89 GLU N . 15887 1 143 . 1 1 97 97 VAL H H 1 8.442 0.0018 . 1 . . . . 90 VAL HN . 15887 1 144 . 1 1 97 97 VAL N N 15 121.288 0.013 . 1 . . . . 90 VAL N . 15887 1 145 . 1 1 98 98 TYR H H 1 8.785 0.0018 . 1 . . . . 91 TYR HN . 15887 1 146 . 1 1 98 98 TYR N N 15 129.923 0.013 . 1 . . . . 91 TYR N . 15887 1 147 . 1 1 99 99 ASP H H 1 7.414 0.0018 . 1 . . . . 92 ASP HN . 15887 1 148 . 1 1 99 99 ASP N N 15 127.133 0.013 . 1 . . . . 92 ASP N . 15887 1 149 . 1 1 100 100 GLN H H 1 8.573 0.0018 . 1 . . . . 93 GLN HN . 15887 1 150 . 1 1 100 100 GLN N N 15 129.192 0.013 . 1 . . . . 93 GLN N . 15887 1 151 . 1 1 102 102 ARG H H 1 8.092 0.0018 . 1 . . . . 95 ARG HN . 15887 1 152 . 1 1 102 102 ARG N N 15 118.874 0.013 . 1 . . . . 95 ARG N . 15887 1 153 . 1 1 103 103 PHE H H 1 8.292 0.0018 . 1 . . . . 96 PHE HN . 15887 1 154 . 1 1 103 103 PHE N N 15 120.433 0.013 . 1 . . . . 96 PHE N . 15887 1 155 . 1 1 104 104 ASP H H 1 9.318 0.0018 . 1 . . . . 97 ASP HN . 15887 1 156 . 1 1 104 104 ASP N N 15 122.621 0.013 . 1 . . . . 97 ASP N . 15887 1 157 . 1 1 105 105 ASN H H 1 7.511 0.0018 . 1 . . . . 98 ASN HN . 15887 1 158 . 1 1 105 105 ASN N N 15 117.743 0.013 . 1 . . . . 98 ASN N . 15887 1 159 . 1 1 106 106 SER H H 1 7.983 0.0018 . 1 . . . . 99 SER HN . 15887 1 160 . 1 1 106 106 SER N N 15 112.370 0.013 . 1 . . . . 99 SER N . 15887 1 161 . 1 1 107 107 ASP H H 1 8.314 0.0018 . 1 . . . . 100 ASP HN . 15887 1 162 . 1 1 107 107 ASP N N 15 117.130 0.013 . 1 . . . . 100 ASP N . 15887 1 163 . 1 1 108 108 LEU H H 1 8.315 0.0018 . 1 . . . . 101 LEU HN . 15887 1 164 . 1 1 108 108 LEU N N 15 128.035 0.013 . 1 . . . . 101 LEU N . 15887 1 165 . 1 1 109 109 SER H H 1 7.892 0.0018 . 1 . . . . 102 SER HN . 15887 1 166 . 1 1 109 109 SER N N 15 113.389 0.013 . 1 . . . . 102 SER N . 15887 1 167 . 1 1 110 110 ALA H H 1 7.953 0.0018 . 1 . . . . 103 ALA HN . 15887 1 168 . 1 1 110 110 ALA N N 15 131.617 0.013 . 1 . . . . 103 ALA N . 15887 1 stop_ save_