################################### # 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 50949 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'SUMO1_M82I_Chemical Shift' _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 $chem_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' . . . 50949 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 $software_1 . . 50949 1 2 $software_2 . . 50949 1 3 $software_3 . . 50949 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 16 16 GLN H H 1 8.221 0.00 . . . . . . . 4 GLN H . 50949 1 2 . 1 . 1 16 16 GLN N N 15 119.661 0.00 . . . . . . . 4 GLN N . 50949 1 3 . 1 . 1 17 17 GLU H H 1 8.348 0.00 . . . . . . . 5 GLU H . 50949 1 4 . 1 . 1 17 17 GLU N N 15 122.112 0.00 . . . . . . . 5 GLU N . 50949 1 5 . 1 . 1 18 18 ALA H H 1 8.222 0.00 . . . . . . . 6 ALA H . 50949 1 6 . 1 . 1 18 18 ALA N N 15 125.178 0.00 . . . . . . . 6 ALA N . 50949 1 7 . 1 . 1 19 19 LYS H H 1 8.266 0.00 . . . . . . . 7 LYS H . 50949 1 8 . 1 . 1 19 19 LYS N N 15 122.126 0.00 . . . . . . . 7 LYS N . 50949 1 9 . 1 . 1 22 22 THR H H 1 8.218 0.00 . . . . . . . 10 THR H . 50949 1 10 . 1 . 1 22 22 THR N N 15 115.559 0.00 . . . . . . . 10 THR N . 50949 1 11 . 1 . 1 23 23 GLU H H 1 8.356 0.00 . . . . . . . 11 GLU H . 50949 1 12 . 1 . 1 23 23 GLU N N 15 122.901 0.00 . . . . . . . 11 GLU N . 50949 1 13 . 1 . 1 24 24 ASP H H 1 8.383 0.00 . . . . . . . 12 ASP H . 50949 1 14 . 1 . 1 24 24 ASP N N 15 121.980 0.00 . . . . . . . 12 ASP N . 50949 1 15 . 1 . 1 25 25 LEU H H 1 8.350 0.00 . . . . . . . 13 LEU H . 50949 1 16 . 1 . 1 25 25 LEU N N 15 123.522 0.00 . . . . . . . 13 LEU N . 50949 1 17 . 1 . 1 26 26 GLY H H 1 8.440 0.00 . . . . . . . 14 GLY H . 50949 1 18 . 1 . 1 26 26 GLY N N 15 108.847 0.00 . . . . . . . 14 GLY N . 50949 1 19 . 1 . 1 27 27 ASP H H 1 8.211 0.00 . . . . . . . 15 ASP H . 50949 1 20 . 1 . 1 27 27 ASP N N 15 120.445 0.00 . . . . . . . 15 ASP N . 50949 1 21 . 1 . 1 28 28 LYS H H 1 8.260 0.00 . . . . . . . 16 LYS H . 50949 1 22 . 1 . 1 28 28 LYS N N 15 121.340 0.00 . . . . . . . 16 LYS N . 50949 1 23 . 1 . 1 29 29 LYS H H 1 8.260 0.00 . . . . . . . 17 LYS H . 50949 1 24 . 1 . 1 29 29 LYS N N 15 121.340 0.00 . . . . . . . 17 LYS N . 50949 1 25 . 1 . 1 30 30 GLU H H 1 8.470 0.00 . . . . . . . 18 GLU H . 50949 1 26 . 1 . 1 30 30 GLU N N 15 121.763 0.00 . . . . . . . 18 GLU N . 50949 1 27 . 1 . 1 31 31 GLY H H 1 8.426 0.00 . . . . . . . 19 GLY H . 50949 1 28 . 1 . 1 31 31 GLY N N 15 109.580 0.00 . . . . . . . 19 GLY N . 50949 1 29 . 1 . 1 33 33 TYR H H 1 8.311 0.00 . . . . . . . 21 TYR H . 50949 1 30 . 1 . 1 33 33 TYR N N 15 118.996 0.00 . . . . . . . 21 TYR N . 50949 1 31 . 1 . 1 34 34 ILE H H 1 9.184 0.00 . . . . . . . 22 ILE H . 50949 1 32 . 1 . 1 34 34 ILE N N 15 116.310 0.00 . . . . . . . 22 ILE N . 50949 1 33 . 1 . 1 35 35 LYS H H 1 8.769 0.00 . . . . . . . 23 LYS H . 50949 1 34 . 1 . 1 35 35 LYS N N 15 124.054 0.00 . . . . . . . 23 LYS N . 50949 1 35 . 1 . 1 36 36 LEU H H 1 9.080 0.00 . . . . . . . 24 LEU H . 50949 1 36 . 1 . 1 36 36 LEU N N 15 123.827 0.00 . . . . . . . 24 LEU N . 50949 1 37 . 1 . 1 37 37 LYS H H 1 8.445 0.00 . . . . . . . 25 LYS H . 50949 1 38 . 1 . 1 37 37 LYS N N 15 120.700 0.00 . . . . . . . 25 LYS N . 50949 1 39 . 1 . 1 38 38 VAL H H 1 9.093 0.00 . . . . . . . 26 VAL H . 50949 1 40 . 1 . 1 38 38 VAL N N 15 123.845 0.00 . . . . . . . 26 VAL N . 50949 1 41 . 1 . 1 39 39 ILE H H 1 8.988 0.00 . . . . . . . 27 ILE H . 50949 1 42 . 1 . 1 39 39 ILE N N 15 127.699 0.00 . . . . . . . 27 ILE N . 50949 1 43 . 1 . 1 40 40 GLY H H 1 8.474 0.00 . . . . . . . 28 GLY H . 50949 1 44 . 1 . 1 40 40 GLY N N 15 113.235 0.00 . . . . . . . 28 GLY N . 50949 1 45 . 1 . 1 41 41 GLN H H 1 8.681 0.00 . . . . . . . 29 GLN H . 50949 1 46 . 1 . 1 41 41 GLN N N 15 120.323 0.00 . . . . . . . 29 GLN N . 50949 1 47 . 1 . 1 42 42 ASP H H 1 8.369 0.00 . . . . . . . 30 ASP H . 50949 1 48 . 1 . 1 42 42 ASP N N 15 118.461 0.00 . . . . . . . 30 ASP N . 50949 1 49 . 1 . 1 43 43 SER H H 1 8.023 0.00 . . . . . . . 31 SER H . 50949 1 50 . 1 . 1 43 43 SER N N 15 111.169 0.00 . . . . . . . 31 SER N . 50949 1 51 . 1 . 1 44 44 SER H H 1 8.058 0.00 . . . . . . . 32 SER H . 50949 1 52 . 1 . 1 44 44 SER N N 15 117.233 0.00 . . . . . . . 32 SER N . 50949 1 53 . 1 . 1 45 45 GLU H H 1 8.576 0.00 . . . . . . . 33 GLU H . 50949 1 54 . 1 . 1 45 45 GLU N N 15 122.093 0.00 . . . . . . . 33 GLU N . 50949 1 55 . 1 . 1 46 46 ILE H H 1 8.683 0.00 . . . . . . . 34 ILE H . 50949 1 56 . 1 . 1 46 46 ILE N N 15 124.451 0.00 . . . . . . . 34 ILE N . 50949 1 57 . 1 . 1 47 47 HIS H H 1 8.562 0.00 . . . . . . . 35 HIS H . 50949 1 58 . 1 . 1 47 47 HIS N N 15 125.791 0.00 . . . . . . . 35 HIS N . 50949 1 59 . 1 . 1 48 48 PHE H H 1 9.004 0.00 . . . . . . . 36 PHE H . 50949 1 60 . 1 . 1 48 48 PHE N N 15 119.807 0.00 . . . . . . . 36 PHE N . 50949 1 61 . 1 . 1 49 49 LYS H H 1 8.704 0.00 . . . . . . . 37 LYS H . 50949 1 62 . 1 . 1 49 49 LYS N N 15 122.927 0.00 . . . . . . . 37 LYS N . 50949 1 63 . 1 . 1 50 50 VAL H H 1 9.126 0.00 . . . . . . . 38 VAL H . 50949 1 64 . 1 . 1 50 50 VAL N N 15 118.695 0.00 . . . . . . . 38 VAL N . 50949 1 65 . 1 . 1 51 51 LYS H H 1 8.611 0.00 . . . . . . . 39 LYS H . 50949 1 66 . 1 . 1 51 51 LYS N N 15 122.254 0.00 . . . . . . . 39 LYS N . 50949 1 67 . 1 . 1 52 52 MET H H 1 8.476 0.00 . . . . . . . 40 MET H . 50949 1 68 . 1 . 1 52 52 MET N N 15 117.949 0.00 . . . . . . . 40 MET N . 50949 1 69 . 1 . 1 53 53 THR H H 1 7.009 0.00 . . . . . . . 41 THR H . 50949 1 70 . 1 . 1 53 53 THR N N 15 100.437 0.00 . . . . . . . 41 THR N . 50949 1 71 . 1 . 1 54 54 THR H H 1 7.175 0.00 . . . . . . . 42 THR H . 50949 1 72 . 1 . 1 54 54 THR N N 15 120.326 0.00 . . . . . . . 42 THR N . 50949 1 73 . 1 . 1 55 55 HIS H H 1 8.710 0.00 . . . . . . . 43 HIS H . 50949 1 74 . 1 . 1 55 55 HIS N N 15 126.348 0.00 . . . . . . . 43 HIS N . 50949 1 75 . 1 . 1 56 56 LEU H H 1 9.317 0.00 . . . . . . . 44 LEU H . 50949 1 76 . 1 . 1 56 56 LEU N N 15 124.208 0.00 . . . . . . . 44 LEU N . 50949 1 77 . 1 . 1 57 57 LYS H H 1 8.546 0.00 . . . . . . . 45 LYS H . 50949 1 78 . 1 . 1 57 57 LYS N N 15 121.613 0.00 . . . . . . . 45 LYS N . 50949 1 79 . 1 . 1 58 58 LYS H H 1 7.595 0.00 . . . . . . . 46 LYS H . 50949 1 80 . 1 . 1 58 58 LYS N N 15 114.329 0.00 . . . . . . . 46 LYS N . 50949 1 81 . 1 . 1 59 59 LEU H H 1 6.787 0.00 . . . . . . . 47 LEU H . 50949 1 82 . 1 . 1 59 59 LEU N N 15 121.465 0.00 . . . . . . . 47 LEU N . 50949 1 83 . 1 . 1 60 60 LYS H H 1 7.516 0.00 . . . . . . . 48 LYS H . 50949 1 84 . 1 . 1 60 60 LYS N N 15 117.925 0.00 . . . . . . . 48 LYS N . 50949 1 85 . 1 . 1 62 62 SER H H 1 7.990 0.00 . . . . . . . 50 SER H . 50949 1 86 . 1 . 1 62 62 SER N N 15 115.645 0.00 . . . . . . . 50 SER N . 50949 1 87 . 1 . 1 63 63 TYR H H 1 8.817 0.00 . . . . . . . 51 TYR H . 50949 1 88 . 1 . 1 63 63 TYR N N 15 122.730 0.00 . . . . . . . 51 TYR N . 50949 1 89 . 1 . 1 64 64 CYS H H 1 8.682 0.00 . . . . . . . 52 CYS H . 50949 1 90 . 1 . 1 64 64 CYS N N 15 117.501 0.00 . . . . . . . 52 CYS N . 50949 1 91 . 1 . 1 65 65 GLN H H 1 8.327 0.00 . . . . . . . 53 GLN H . 50949 1 92 . 1 . 1 65 65 GLN N N 15 119.166 0.00 . . . . . . . 53 GLN N . 50949 1 93 . 1 . 1 66 66 ARG H H 1 7.979 0.00 . . . . . . . 54 ARG H . 50949 1 94 . 1 . 1 66 66 ARG N N 15 119.910 0.00 . . . . . . . 54 ARG N . 50949 1 95 . 1 . 1 67 67 GLN H H 1 7.858 0.00 . . . . . . . 55 GLN H . 50949 1 96 . 1 . 1 67 67 GLN N N 15 114.024 0.00 . . . . . . . 55 GLN N . 50949 1 97 . 1 . 1 68 68 GLY H H 1 7.952 0.00 . . . . . . . 56 GLY H . 50949 1 98 . 1 . 1 68 68 GLY N N 15 109.706 0.00 . . . . . . . 56 GLY N . 50949 1 99 . 1 . 1 69 69 VAL H H 1 7.617 0.00 . . . . . . . 57 VAL H . 50949 1 100 . 1 . 1 69 69 VAL N N 15 112.220 0.00 . . . . . . . 57 VAL N . 50949 1 101 . 1 . 1 71 71 MET H H 1 8.555 0.00 . . . . . . . 59 MET H . 50949 1 102 . 1 . 1 71 71 MET N N 15 116.696 0.00 . . . . . . . 59 MET N . 50949 1 103 . 1 . 1 72 72 ASN H H 1 8.423 0.00 . . . . . . . 60 ASN H . 50949 1 104 . 1 . 1 72 72 ASN N N 15 113.159 0.00 . . . . . . . 60 ASN N . 50949 1 105 . 1 . 1 73 73 SER H H 1 7.932 0.00 . . . . . . . 61 SER H . 50949 1 106 . 1 . 1 73 73 SER N N 15 113.062 0.00 . . . . . . . 61 SER N . 50949 1 107 . 1 . 1 74 74 LEU H H 1 7.288 0.00 . . . . . . . 62 LEU H . 50949 1 108 . 1 . 1 74 74 LEU N N 15 120.823 0.00 . . . . . . . 62 LEU N . 50949 1 109 . 1 . 1 75 75 ARG H H 1 8.979 0.00 . . . . . . . 63 ARG H . 50949 1 110 . 1 . 1 75 75 ARG N N 15 120.224 0.00 . . . . . . . 63 ARG N . 50949 1 111 . 1 . 1 76 76 PHE H H 1 8.952 0.00 . . . . . . . 64 PHE H . 50949 1 112 . 1 . 1 76 76 PHE N N 15 122.665 0.00 . . . . . . . 64 PHE N . 50949 1 113 . 1 . 1 77 77 LEU H H 1 9.747 0.00 . . . . . . . 65 LEU H . 50949 1 114 . 1 . 1 77 77 LEU N N 15 123.869 0.00 . . . . . . . 65 LEU N . 50949 1 115 . 1 . 1 78 78 PHE H H 1 8.886 0.00 . . . . . . . 66 PHE H . 50949 1 116 . 1 . 1 78 78 PHE N N 15 119.226 0.00 . . . . . . . 66 PHE N . 50949 1 117 . 1 . 1 79 79 GLU H H 1 9.342 0.00 . . . . . . . 67 GLU H . 50949 1 118 . 1 . 1 79 79 GLU N N 15 129.392 0.00 . . . . . . . 67 GLU N . 50949 1 119 . 1 . 1 80 80 GLY H H 1 8.767 0.00 . . . . . . . 68 GLY H . 50949 1 120 . 1 . 1 80 80 GLY N N 15 103.199 0.00 . . . . . . . 68 GLY N . 50949 1 121 . 1 . 1 81 81 GLN H H 1 8.055 0.00 . . . . . . . 69 GLN H . 50949 1 122 . 1 . 1 81 81 GLN N N 15 120.975 0.00 . . . . . . . 69 GLN N . 50949 1 123 . 1 . 1 82 82 ARG H H 1 8.766 0.00 . . . . . . . 70 ARG H . 50949 1 124 . 1 . 1 82 82 ARG N N 15 125.218 0.00 . . . . . . . 70 ARG N . 50949 1 125 . 1 . 1 83 83 ILE H H 1 8.980 0.00 . . . . . . . 71 ILE H . 50949 1 126 . 1 . 1 83 83 ILE N N 15 126.982 0.00 . . . . . . . 71 ILE N . 50949 1 127 . 1 . 1 84 84 ALA H H 1 11.020 0.00 . . . . . . . 72 ALA H . 50949 1 128 . 1 . 1 84 84 ALA N N 15 107.084 0.00 . . . . . . . 72 ALA N . 50949 1 129 . 1 . 1 86 86 ASN H H 1 7.711 0.00 . . . . . . . 74 ASN H . 50949 1 130 . 1 . 1 86 86 ASN N N 15 109.548 0.00 . . . . . . . 74 ASN N . 50949 1 131 . 1 . 1 87 87 HIS H H 1 7.163 0.00 . . . . . . . 75 HIS H . 50949 1 132 . 1 . 1 87 87 HIS N N 15 119.634 0.00 . . . . . . . 75 HIS N . 50949 1 133 . 1 . 1 88 88 THR H H 1 7.409 0.00 . . . . . . . 76 THR H . 50949 1 134 . 1 . 1 88 88 THR N N 15 108.256 0.00 . . . . . . . 76 THR N . 50949 1 135 . 1 . 1 90 90 LYS H H 1 7.958 0.00 . . . . . . . 78 LYS H . 50949 1 136 . 1 . 1 90 90 LYS N N 15 115.225 0.00 . . . . . . . 78 LYS N . 50949 1 137 . 1 . 1 91 91 GLU H H 1 7.846 0.00 . . . . . . . 79 GLU H . 50949 1 138 . 1 . 1 91 91 GLU N N 15 119.644 0.00 . . . . . . . 79 GLU N . 50949 1 139 . 1 . 1 92 92 LEU H H 1 7.384 0.00 . . . . . . . 80 LEU H . 50949 1 140 . 1 . 1 92 92 LEU N N 15 115.232 0.00 . . . . . . . 80 LEU N . 50949 1 141 . 1 . 1 93 93 GLY H H 1 7.687 0.00 . . . . . . . 81 GLY H . 50949 1 142 . 1 . 1 93 93 GLY N N 15 107.643 0.00 . . . . . . . 81 GLY N . 50949 1 143 . 1 . 1 94 94 ILE H H 1 7.445 0.00 . . . . . . . 82 ILE H . 50949 1 144 . 1 . 1 94 94 ILE N N 15 120.623 0.00 . . . . . . . 82 ILE N . 50949 1 145 . 1 . 1 95 95 GLU H H 1 9.283 0.00 . . . . . . . 83 GLU H . 50949 1 146 . 1 . 1 95 95 GLU N N 15 127.193 0.00 . . . . . . . 83 GLU N . 50949 1 147 . 1 . 1 96 96 GLU H H 1 8.365 0.00 . . . . . . . 84 GLU H . 50949 1 148 . 1 . 1 96 96 GLU N N 15 118.707 0.00 . . . . . . . 84 GLU N . 50949 1 149 . 1 . 1 97 97 GLU H H 1 9.174 0.00 . . . . . . . 85 GLU H . 50949 1 150 . 1 . 1 97 97 GLU N N 15 118.115 0.00 . . . . . . . 85 GLU N . 50949 1 151 . 1 . 1 98 98 ASP H H 1 8.066 0.00 . . . . . . . 86 ASP H . 50949 1 152 . 1 . 1 98 98 ASP N N 15 120.305 0.00 . . . . . . . 86 ASP N . 50949 1 153 . 1 . 1 99 99 VAL H H 1 8.233 0.00 . . . . . . . 87 VAL H . 50949 1 154 . 1 . 1 99 99 VAL N N 15 115.559 0.00 . . . . . . . 87 VAL N . 50949 1 155 . 1 . 1 100 100 ILE H H 1 9.067 0.00 . . . . . . . 88 ILE H . 50949 1 156 . 1 . 1 100 100 ILE N N 15 126.888 0.00 . . . . . . . 88 ILE N . 50949 1 157 . 1 . 1 101 101 GLU H H 1 8.844 0.00 . . . . . . . 89 GLU H . 50949 1 158 . 1 . 1 101 101 GLU N N 15 125.796 0.00 . . . . . . . 89 GLU N . 50949 1 159 . 1 . 1 102 102 VAL H H 1 7.803 0.00 . . . . . . . 90 VAL H . 50949 1 160 . 1 . 1 102 102 VAL N N 15 119.366 0.00 . . . . . . . 90 VAL N . 50949 1 161 . 1 . 1 103 103 TYR H H 1 8.564 0.00 . . . . . . . 91 TYR H . 50949 1 162 . 1 . 1 103 103 TYR N N 15 124.263 0.00 . . . . . . . 91 TYR N . 50949 1 163 . 1 . 1 104 104 GLN H H 1 8.683 0.00 . . . . . . . 92 GLN H . 50949 1 164 . 1 . 1 104 104 GLN N N 15 120.952 0.00 . . . . . . . 92 GLN N . 50949 1 165 . 1 . 1 105 105 GLU H H 1 8.451 0.00 . . . . . . . 93 GLU H . 50949 1 166 . 1 . 1 105 105 GLU N N 15 125.165 0.00 . . . . . . . 93 GLU N . 50949 1 167 . 1 . 1 106 106 GLN H H 1 8.738 0.00 . . . . . . . 94 GLN H . 50949 1 168 . 1 . 1 106 106 GLN N N 15 122.829 0.00 . . . . . . . 94 GLN N . 50949 1 169 . 1 . 1 108 108 GLY H H 1 8.001 0.00 . . . . . . . 96 GLY H . 50949 1 170 . 1 . 1 108 108 GLY N N 15 115.344 0.00 . . . . . . . 96 GLY N . 50949 1 stop_ save_