################################### # 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 27437 _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 . _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' . . . 27437 1 2 '3D HNCA' . . . 27437 1 3 '3D HNCACB' . . . 27437 1 4 '3D HN(CO)CA' . . . 27437 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 . 2 2 3 3 ARG H H 1 9.56 . . 1 . . . . . 3 ARG H . 27437 1 2 . 2 2 3 3 ARG CA C 13 55.14 . . 1 . . . . . 3 ARG CA . 27437 1 3 . 2 2 3 3 ARG CB C 13 34.45 . . 1 . . . . . 3 ARG CB . 27437 1 4 . 2 2 3 3 ARG N N 15 122.24 . . 1 . . . . . 3 ARG N . 27437 1 5 . 2 2 5 5 PRO CA C 13 62.56 . . 1 . . . . . 5 PRO CA . 27437 1 6 . 2 2 6 6 LYS H H 1 9.38 . . 1 . . . . . 6 LYS H . 27437 1 7 . 2 2 6 6 LYS CA C 13 55.82 . . 1 . . . . . 6 LYS CA . 27437 1 8 . 2 2 6 6 LYS CB C 13 33.30 . . 1 . . . . . 6 LYS CB . 27437 1 9 . 2 2 6 6 LYS N N 15 124.58 . . 1 . . . . . 6 LYS N . 27437 1 10 . 2 2 7 7 ILE H H 1 8.51 . . 1 . . . . . 7 ILE H . 27437 1 11 . 2 2 7 7 ILE CA C 13 61.47 . . 1 . . . . . 7 ILE CA . 27437 1 12 . 2 2 7 7 ILE N N 15 124.54 . . 1 . . . . . 7 ILE N . 27437 1 13 . 2 2 11 11 SER H H 1 9.49 . . 1 . . . . . 11 SER H . 27437 1 14 . 2 2 11 11 SER CA C 13 56.68 . . 1 . . . . . 11 SER CA . 27437 1 15 . 2 2 11 11 SER CB C 13 66.72 . . 1 . . . . . 11 SER CB . 27437 1 16 . 2 2 11 11 SER N N 15 117.98 . . 1 . . . . . 11 SER N . 27437 1 17 . 2 2 12 12 ARG H H 1 8.93 . . 1 . . . . . 12 ARG H . 27437 1 18 . 2 2 12 12 ARG CA C 13 60.60 . . 1 . . . . . 12 ARG CA . 27437 1 19 . 2 2 12 12 ARG CB C 13 34.35 . . 1 . . . . . 12 ARG CB . 27437 1 20 . 2 2 12 12 ARG N N 15 122.56 . . 1 . . . . . 12 ARG N . 27437 1 21 . 2 2 13 13 HIS H H 1 8.24 . . 1 . . . . . 13 HIS H . 27437 1 22 . 2 2 13 13 HIS CA C 13 51.36 . . 1 . . . . . 13 HIS CA . 27437 1 23 . 2 2 13 13 HIS N N 15 113.63 . . 1 . . . . . 13 HIS N . 27437 1 24 . 2 2 15 15 ALA H H 1 9.20 . . 1 . . . . . 15 ALA H . 27437 1 25 . 2 2 15 15 ALA CA C 13 53.57 . . 1 . . . . . 15 ALA CA . 27437 1 26 . 2 2 15 15 ALA CB C 13 19.57 . . 1 . . . . . 15 ALA CB . 27437 1 27 . 2 2 15 15 ALA N N 15 127.28 . . 1 . . . . . 15 ALA N . 27437 1 28 . 2 2 16 16 GLU H H 1 9.02 . . 1 . . . . . 16 GLU H . 27437 1 29 . 2 2 16 16 GLU CA C 13 54.74 . . 1 . . . . . 16 GLU CA . 27437 1 30 . 2 2 16 16 GLU CB C 13 32.44 . . 1 . . . . . 16 GLU CB . 27437 1 31 . 2 2 16 16 GLU N N 15 125.30 . . 1 . . . . . 16 GLU N . 27437 1 32 . 2 2 17 17 ASN H H 1 8.86 . . 1 . . . . . 17 ASN H . 27437 1 33 . 2 2 17 17 ASN CA C 13 54.37 . . 1 . . . . . 17 ASN CA . 27437 1 34 . 2 2 17 17 ASN CB C 13 37.07 . . 1 . . . . . 17 ASN CB . 27437 1 35 . 2 2 17 17 ASN N N 15 123.30 . . 1 . . . . . 17 ASN N . 27437 1 36 . 2 2 18 18 GLY H H 1 8.82 . . 1 . . . . . 18 GLY H . 27437 1 37 . 2 2 18 18 GLY CA C 13 45.48 . . 1 . . . . . 18 GLY CA . 27437 1 38 . 2 2 18 18 GLY N N 15 109.15 . . 1 . . . . . 18 GLY N . 27437 1 39 . 2 2 19 19 LYS H H 1 7.96 . . 1 . . . . . 19 LYS H . 27437 1 40 . 2 2 19 19 LYS CA C 13 54.09 . . 1 . . . . . 19 LYS CA . 27437 1 41 . 2 2 19 19 LYS CB C 13 33.54 . . 1 . . . . . 19 LYS CB . 27437 1 42 . 2 2 19 19 LYS N N 15 121.44 . . 1 . . . . . 19 LYS N . 27437 1 43 . 2 2 20 20 SER H H 1 8.53 . . 1 . . . . . 20 SER H . 27437 1 44 . 2 2 20 20 SER CA C 13 59.51 . . 1 . . . . . 20 SER CA . 27437 1 45 . 2 2 20 20 SER CB C 13 63.14 . . 1 . . . . . 20 SER CB . 27437 1 46 . 2 2 20 20 SER N N 15 120.56 . . 1 . . . . . 20 SER N . 27437 1 47 . 2 2 21 21 ASN H H 1 8.97 . . 1 . . . . . 21 ASN H . 27437 1 48 . 2 2 21 21 ASN CA C 13 50.68 . . 1 . . . . . 21 ASN CA . 27437 1 49 . 2 2 21 21 ASN CB C 13 42.14 . . 1 . . . . . 21 ASN CB . 27437 1 50 . 2 2 21 21 ASN N N 15 127.05 . . 1 . . . . . 21 ASN N . 27437 1 51 . 2 2 22 22 PHE H H 1 10.45 . . 1 . . . . . 22 PHE H . 27437 1 52 . 2 2 22 22 PHE CA C 13 57.62 . . 1 . . . . . 22 PHE CA . 27437 1 53 . 2 2 22 22 PHE CB C 13 43.93 . . 1 . . . . . 22 PHE CB . 27437 1 54 . 2 2 22 22 PHE N N 15 119.97 . . 1 . . . . . 22 PHE N . 27437 1 55 . 2 2 23 23 LEU H H 1 8.98 . . 1 . . . . . 23 LEU H . 27437 1 56 . 2 2 23 23 LEU CA C 13 53.26 . . 1 . . . . . 23 LEU CA . 27437 1 57 . 2 2 23 23 LEU CB C 13 41.66 . . 1 . . . . . 23 LEU CB . 27437 1 58 . 2 2 23 23 LEU N N 15 125.95 . . 1 . . . . . 23 LEU N . 27437 1 59 . 2 2 24 24 ASN H H 1 8.26 . . 1 . . . . . 24 ASN H . 27437 1 60 . 2 2 24 24 ASN CA C 13 51.29 . . 1 . . . . . 24 ASN CA . 27437 1 61 . 2 2 24 24 ASN CB C 13 41.37 . . 1 . . . . . 24 ASN CB . 27437 1 62 . 2 2 24 24 ASN N N 15 121.45 . . 1 . . . . . 24 ASN N . 27437 1 63 . 2 2 25 25 CYS H H 1 9.68 . . 1 . . . . . 25 CYS H . 27437 1 64 . 2 2 25 25 CYS CA C 13 53.76 . . 1 . . . . . 25 CYS CA . 27437 1 65 . 2 2 25 25 CYS CB C 13 41.69 . . 1 . . . . . 25 CYS CB . 27437 1 66 . 2 2 25 25 CYS N N 15 120.46 . . 1 . . . . . 25 CYS N . 27437 1 67 . 2 2 26 26 TYR H H 1 9.59 . . 1 . . . . . 26 TYR H . 27437 1 68 . 2 2 26 26 TYR CA C 13 55.16 . . 1 . . . . . 26 TYR CA . 27437 1 69 . 2 2 26 26 TYR CB C 13 41.09 . . 1 . . . . . 26 TYR CB . 27437 1 70 . 2 2 26 26 TYR N N 15 129.31 . . 1 . . . . . 26 TYR N . 27437 1 71 . 2 2 27 27 VAL H H 1 8.93 . . 1 . . . . . 27 VAL H . 27437 1 72 . 2 2 27 27 VAL CA C 13 59.74 . . 1 . . . . . 27 VAL CA . 27437 1 73 . 2 2 27 27 VAL CB C 13 33.18 . . 1 . . . . . 27 VAL CB . 27437 1 74 . 2 2 27 27 VAL N N 15 130.58 . . 1 . . . . . 27 VAL N . 27437 1 75 . 2 2 28 28 SER H H 1 9.13 . . 1 . . . . . 28 SER H . 27437 1 76 . 2 2 28 28 SER CA C 13 57.36 . . 1 . . . . . 28 SER CA . 27437 1 77 . 2 2 28 28 SER CB C 13 67.70 . . 1 . . . . . 28 SER CB . 27437 1 78 . 2 2 28 28 SER N N 15 118.43 . . 1 . . . . . 28 SER N . 27437 1 79 . 2 2 29 29 GLY H H 1 8.32 . . 1 . . . . . 29 GLY H . 27437 1 80 . 2 2 29 29 GLY CA C 13 46.25 . . 1 . . . . . 29 GLY CA . 27437 1 81 . 2 2 29 29 GLY N N 15 108.09 . . 1 . . . . . 29 GLY N . 27437 1 82 . 2 2 33 33 SER CA C 13 61.83 . . 1 . . . . . 33 SER CA . 27437 1 83 . 2 2 34 34 ASP H H 1 7.45 . . 1 . . . . . 34 ASP H . 27437 1 84 . 2 2 34 34 ASP CA C 13 54.91 . . 1 . . . . . 34 ASP CA . 27437 1 85 . 2 2 34 34 ASP CB C 13 40.57 . . 1 . . . . . 34 ASP CB . 27437 1 86 . 2 2 34 34 ASP N N 15 119.89 . . 1 . . . . . 34 ASP N . 27437 1 87 . 2 2 35 35 ILE H H 1 8.08 . . 1 . . . . . 35 ILE H . 27437 1 88 . 2 2 35 35 ILE CA C 13 60.64 . . 1 . . . . . 35 ILE CA . 27437 1 89 . 2 2 35 35 ILE CB C 13 41.24 . . 1 . . . . . 35 ILE CB . 27437 1 90 . 2 2 35 35 ILE N N 15 124.40 . . 1 . . . . . 35 ILE N . 27437 1 91 . 2 2 36 36 GLU H H 1 8.07 . . 1 . . . . . 36 GLU H . 27437 1 92 . 2 2 36 36 GLU CA C 13 54.97 . . 1 . . . . . 36 GLU CA . 27437 1 93 . 2 2 36 36 GLU CB C 13 32.39 . . 1 . . . . . 36 GLU CB . 27437 1 94 . 2 2 36 36 GLU N N 15 126.15 . . 1 . . . . . 36 GLU N . 27437 1 95 . 2 2 38 38 ASP H H 1 8.90 . . 1 . . . . . 38 ASP H . 27437 1 96 . 2 2 38 38 ASP CA C 13 52.57 . . 1 . . . . . 38 ASP CA . 27437 1 97 . 2 2 38 38 ASP CB C 13 46.09 . . 1 . . . . . 38 ASP CB . 27437 1 98 . 2 2 38 38 ASP N N 15 122.40 . . 1 . . . . . 38 ASP N . 27437 1 99 . 2 2 39 39 LEU H H 1 9.25 . . 1 . . . . . 39 LEU H . 27437 1 100 . 2 2 39 39 LEU CA C 13 53.77 . . 1 . . . . . 39 LEU CA . 27437 1 101 . 2 2 39 39 LEU CB C 13 44.07 . . 1 . . . . . 39 LEU CB . 27437 1 102 . 2 2 39 39 LEU N N 15 121.36 . . 1 . . . . . 39 LEU N . 27437 1 103 . 2 2 40 40 LEU H H 1 9.01 . . 1 . . . . . 40 LEU H . 27437 1 104 . 2 2 40 40 LEU CA C 13 52.92 . . 1 . . . . . 40 LEU CA . 27437 1 105 . 2 2 40 40 LEU CB C 13 45.83 . . 1 . . . . . 40 LEU CB . 27437 1 106 . 2 2 40 40 LEU N N 15 120.26 . . 1 . . . . . 40 LEU N . 27437 1 107 . 2 2 41 41 LYS H H 1 8.89 . . 1 . . . . . 41 LYS H . 27437 1 108 . 2 2 41 41 LYS CA C 13 54.13 . . 1 . . . . . 41 LYS CA . 27437 1 109 . 2 2 41 41 LYS CB C 13 34.18 . . 1 . . . . . 41 LYS CB . 27437 1 110 . 2 2 41 41 LYS N N 15 121.02 . . 1 . . . . . 41 LYS N . 27437 1 111 . 2 2 42 42 ASN H H 1 9.85 . . 1 . . . . . 42 ASN H . 27437 1 112 . 2 2 42 42 ASN CA C 13 54.51 . . 1 . . . . . 42 ASN CA . 27437 1 113 . 2 2 42 42 ASN CB C 13 37.26 . . 1 . . . . . 42 ASN CB . 27437 1 114 . 2 2 42 42 ASN N N 15 128.40 . . 1 . . . . . 42 ASN N . 27437 1 115 . 2 2 43 43 GLY H H 1 8.92 . . 1 . . . . . 43 GLY H . 27437 1 116 . 2 2 43 43 GLY CA C 13 45.37 . . 1 . . . . . 43 GLY CA . 27437 1 117 . 2 2 43 43 GLY N N 15 102.37 . . 1 . . . . . 43 GLY N . 27437 1 118 . 2 2 44 44 GLU H H 1 7.86 . . 1 . . . . . 44 GLU H . 27437 1 119 . 2 2 44 44 GLU CA C 13 54.23 . . 1 . . . . . 44 GLU CA . 27437 1 120 . 2 2 44 44 GLU CB C 13 31.77 . . 1 . . . . . 44 GLU CB . 27437 1 121 . 2 2 44 44 GLU N N 15 120.79 . . 1 . . . . . 44 GLU N . 27437 1 122 . 2 2 45 45 ARG H H 1 8.83 . . 1 . . . . . 45 ARG H . 27437 1 123 . 2 2 45 45 ARG CA C 13 57.92 . . 1 . . . . . 45 ARG CA . 27437 1 124 . 2 2 45 45 ARG CB C 13 30.50 . . 1 . . . . . 45 ARG CB . 27437 1 125 . 2 2 45 45 ARG N N 15 124.58 . . 1 . . . . . 45 ARG N . 27437 1 126 . 2 2 46 46 ILE H H 1 8.86 . . 1 . . . . . 46 ILE H . 27437 1 127 . 2 2 46 46 ILE CA C 13 61.90 . . 1 . . . . . 46 ILE CA . 27437 1 128 . 2 2 46 46 ILE N N 15 128.71 . . 1 . . . . . 46 ILE N . 27437 1 129 . 2 2 47 47 GLU H H 1 8.59 . . 1 . . . . . 47 GLU H . 27437 1 130 . 2 2 47 47 GLU CA C 13 58.28 . . 1 . . . . . 47 GLU CA . 27437 1 131 . 2 2 47 47 GLU CB C 13 30.74 . . 1 . . . . . 47 GLU CB . 27437 1 132 . 2 2 47 47 GLU N N 15 126.58 . . 1 . . . . . 47 GLU N . 27437 1 133 . 2 2 48 48 LYS H H 1 8.10 . . 1 . . . . . 48 LYS H . 27437 1 134 . 2 2 48 48 LYS CA C 13 54.96 . . 1 . . . . . 48 LYS CA . 27437 1 135 . 2 2 48 48 LYS N N 15 119.77 . . 1 . . . . . 48 LYS N . 27437 1 136 . 2 2 49 49 VAL H H 1 7.90 . . 1 . . . . . 49 VAL H . 27437 1 137 . 2 2 49 49 VAL CA C 13 55.75 . . 1 . . . . . 49 VAL CA . 27437 1 138 . 2 2 49 49 VAL CB C 13 36.43 . . 1 . . . . . 49 VAL CB . 27437 1 139 . 2 2 49 49 VAL N N 15 122.35 . . 1 . . . . . 49 VAL N . 27437 1 140 . 2 2 50 50 GLU H H 1 8.42 . . 1 . . . . . 50 GLU H . 27437 1 141 . 2 2 50 50 GLU CA C 13 54.17 . . 1 . . . . . 50 GLU CA . 27437 1 142 . 2 2 50 50 GLU CB C 13 33.17 . . 1 . . . . . 50 GLU CB . 27437 1 143 . 2 2 50 50 GLU N N 15 124.54 . . 1 . . . . . 50 GLU N . 27437 1 144 . 2 2 51 51 HIS H H 1 8.08 . . 1 . . . . . 51 HIS H . 27437 1 145 . 2 2 51 51 HIS CA C 13 53.67 . . 1 . . . . . 51 HIS CA . 27437 1 146 . 2 2 51 51 HIS CB C 13 30.36 . . 1 . . . . . 51 HIS CB . 27437 1 147 . 2 2 51 51 HIS N N 15 110.72 . . 1 . . . . . 51 HIS N . 27437 1 148 . 2 2 52 52 SER H H 1 9.22 . . 1 . . . . . 52 SER H . 27437 1 149 . 2 2 52 52 SER CA C 13 57.69 . . 1 . . . . . 52 SER CA . 27437 1 150 . 2 2 52 52 SER CB C 13 66.74 . . 1 . . . . . 52 SER CB . 27437 1 151 . 2 2 52 52 SER N N 15 117.59 . . 1 . . . . . 52 SER N . 27437 1 152 . 2 2 63 63 TYR CA C 13 57.78 . . 1 . . . . . 63 TYR CA . 27437 1 153 . 2 2 64 64 LEU H H 1 9.23 . . 1 . . . . . 64 LEU H . 27437 1 154 . 2 2 64 64 LEU CA C 13 54.88 . . 1 . . . . . 64 LEU CA . 27437 1 155 . 2 2 64 64 LEU N N 15 120.50 . . 1 . . . . . 64 LEU N . 27437 1 156 . 2 2 65 65 LEU CA C 13 55.48 . . 1 . . . . . 65 LEU CA . 27437 1 157 . 2 2 66 66 TYR H H 1 9.17 . . 1 . . . . . 66 TYR H . 27437 1 158 . 2 2 66 66 TYR CA C 13 58.02 . . 1 . . . . . 66 TYR CA . 27437 1 159 . 2 2 66 66 TYR CB C 13 42.14 . . 1 . . . . . 66 TYR CB . 27437 1 160 . 2 2 66 66 TYR N N 15 127.18 . . 1 . . . . . 66 TYR N . 27437 1 161 . 2 2 67 67 TYR H H 1 8.91 . . 1 . . . . . 67 TYR H . 27437 1 162 . 2 2 67 67 TYR CA C 13 55.99 . . 1 . . . . . 67 TYR CA . 27437 1 163 . 2 2 67 67 TYR CB C 13 40.95 . . 1 . . . . . 67 TYR CB . 27437 1 164 . 2 2 67 67 TYR N N 15 116.18 . . 1 . . . . . 67 TYR N . 27437 1 165 . 2 2 68 68 THR H H 1 8.35 . . 1 . . . . . 68 THR H . 27437 1 166 . 2 2 68 68 THR CA C 13 59.96 . . 1 . . . . . 68 THR CA . 27437 1 167 . 2 2 68 68 THR CB C 13 70.33 . . 1 . . . . . 68 THR CB . 27437 1 168 . 2 2 68 68 THR N N 15 111.77 . . 1 . . . . . 68 THR N . 27437 1 169 . 2 2 69 69 GLU H H 1 8.60 . . 1 . . . . . 69 GLU H . 27437 1 170 . 2 2 69 69 GLU CA C 13 56.82 . . 1 . . . . . 69 GLU CA . 27437 1 171 . 2 2 69 69 GLU CB C 13 29.83 . . 1 . . . . . 69 GLU CB . 27437 1 172 . 2 2 69 69 GLU N N 15 130.26 . . 1 . . . . . 69 GLU N . 27437 1 173 . 2 2 70 70 PHE H H 1 8.81 . . 1 . . . . . 70 PHE H . 27437 1 174 . 2 2 70 70 PHE CA C 13 55.32 . . 1 . . . . . 70 PHE CA . 27437 1 175 . 2 2 70 70 PHE CB C 13 41.35 . . 1 . . . . . 70 PHE CB . 27437 1 176 . 2 2 70 70 PHE N N 15 126.02 . . 1 . . . . . 70 PHE N . 27437 1 177 . 2 2 71 71 THR H H 1 8.47 . . 1 . . . . . 71 THR H . 27437 1 178 . 2 2 71 71 THR CA C 13 58.92 . . 1 . . . . . 71 THR CA . 27437 1 179 . 2 2 71 71 THR CB C 13 70.18 . . 1 . . . . . 71 THR CB . 27437 1 180 . 2 2 71 71 THR N N 15 117.52 . . 1 . . . . . 71 THR N . 27437 1 181 . 2 2 72 72 PRO CA C 13 63.15 . . 1 . . . . . 72 PRO CA . 27437 1 182 . 2 2 73 73 THR H H 1 8.03 . . 1 . . . . . 73 THR H . 27437 1 183 . 2 2 73 73 THR CA C 13 60.28 . . 1 . . . . . 73 THR CA . 27437 1 184 . 2 2 73 73 THR CB C 13 73.11 . . 1 . . . . . 73 THR CB . 27437 1 185 . 2 2 73 73 THR N N 15 110.49 . . 1 . . . . . 73 THR N . 27437 1 186 . 2 2 74 74 GLU H H 1 9.14 . . 1 . . . . . 74 GLU H . 27437 1 187 . 2 2 74 74 GLU CA C 13 58.94 . . 1 . . . . . 74 GLU CA . 27437 1 188 . 2 2 74 74 GLU CB C 13 29.86 . . 1 . . . . . 74 GLU CB . 27437 1 189 . 2 2 74 74 GLU N N 15 119.15 . . 1 . . . . . 74 GLU N . 27437 1 190 . 2 2 75 75 LYS H H 1 7.88 . . 1 . . . . . 75 LYS H . 27437 1 191 . 2 2 75 75 LYS CA C 13 56.49 . . 1 . . . . . 75 LYS CA . 27437 1 192 . 2 2 75 75 LYS CB C 13 33.99 . . 1 . . . . . 75 LYS CB . 27437 1 193 . 2 2 75 75 LYS N N 15 113.75 . . 1 . . . . . 75 LYS N . 27437 1 194 . 2 2 76 76 ASP H H 1 7.12 . . 1 . . . . . 76 ASP H . 27437 1 195 . 2 2 76 76 ASP CA C 13 55.37 . . 1 . . . . . 76 ASP CA . 27437 1 196 . 2 2 76 76 ASP CB C 13 43.44 . . 1 . . . . . 76 ASP CB . 27437 1 197 . 2 2 76 76 ASP N N 15 117.95 . . 1 . . . . . 76 ASP N . 27437 1 198 . 2 2 77 77 GLU H H 1 8.64 . . 1 . . . . . 77 GLU H . 27437 1 199 . 2 2 77 77 GLU CA C 13 54.77 . . 1 . . . . . 77 GLU CA . 27437 1 200 . 2 2 77 77 GLU CB C 13 32.70 . . 1 . . . . . 77 GLU CB . 27437 1 201 . 2 2 77 77 GLU N N 15 122.68 . . 1 . . . . . 77 GLU N . 27437 1 202 . 2 2 78 78 TYR H H 1 9.49 . . 1 . . . . . 78 TYR H . 27437 1 203 . 2 2 78 78 TYR CA C 13 56.84 . . 1 . . . . . 78 TYR CA . 27437 1 204 . 2 2 78 78 TYR CB C 13 43.39 . . 1 . . . . . 78 TYR CB . 27437 1 205 . 2 2 78 78 TYR N N 15 123.17 . . 1 . . . . . 78 TYR N . 27437 1 206 . 2 2 79 79 ALA H H 1 8.89 . . 1 . . . . . 79 ALA H . 27437 1 207 . 2 2 79 79 ALA CA C 13 50.97 . . 1 . . . . . 79 ALA CA . 27437 1 208 . 2 2 79 79 ALA CB C 13 23.93 . . 1 . . . . . 79 ALA CB . 27437 1 209 . 2 2 79 79 ALA N N 15 121.40 . . 1 . . . . . 79 ALA N . 27437 1 210 . 2 2 80 80 CYS H H 1 9.18 . . 1 . . . . . 80 CYS H . 27437 1 211 . 2 2 80 80 CYS CA C 13 53.02 . . 1 . . . . . 80 CYS CA . 27437 1 212 . 2 2 80 80 CYS CB C 13 43.46 . . 1 . . . . . 80 CYS CB . 27437 1 213 . 2 2 80 80 CYS N N 15 120.13 . . 1 . . . . . 80 CYS N . 27437 1 214 . 2 2 81 81 ARG H H 1 9.45 . . 1 . . . . . 81 ARG H . 27437 1 215 . 2 2 81 81 ARG CA C 13 53.83 . . 1 . . . . . 81 ARG CA . 27437 1 216 . 2 2 81 81 ARG CB C 13 34.14 . . 1 . . . . . 81 ARG CB . 27437 1 217 . 2 2 81 81 ARG N N 15 128.39 . . 1 . . . . . 81 ARG N . 27437 1 218 . 2 2 82 82 VAL H H 1 9.11 . . 1 . . . . . 82 VAL H . 27437 1 219 . 2 2 82 82 VAL CA C 13 60.27 . . 1 . . . . . 82 VAL CA . 27437 1 220 . 2 2 82 82 VAL CB C 13 36.27 . . 1 . . . . . 82 VAL CB . 27437 1 221 . 2 2 82 82 VAL N N 15 128.30 . . 1 . . . . . 82 VAL N . 27437 1 222 . 2 2 83 83 ASN H H 1 9.09 . . 1 . . . . . 83 ASN H . 27437 1 223 . 2 2 83 83 ASN CA C 13 51.00 . . 1 . . . . . 83 ASN CA . 27437 1 224 . 2 2 83 83 ASN CB C 13 41.69 . . 1 . . . . . 83 ASN CB . 27437 1 225 . 2 2 83 83 ASN N N 15 123.10 . . 1 . . . . . 83 ASN N . 27437 1 226 . 2 2 84 84 HIS H H 1 7.83 . . 1 . . . . . 84 HIS H . 27437 1 227 . 2 2 84 84 HIS CA C 13 56.84 . . 1 . . . . . 84 HIS CA . 27437 1 228 . 2 2 84 84 HIS N N 15 122.40 . . 1 . . . . . 84 HIS N . 27437 1 229 . 2 2 85 85 VAL H H 1 8.23 . . 1 . . . . . 85 VAL H . 27437 1 230 . 2 2 85 85 VAL CA C 13 64.59 . . 1 . . . . . 85 VAL CA . 27437 1 231 . 2 2 85 85 VAL CB C 13 30.99 . . 1 . . . . . 85 VAL CB . 27437 1 232 . 2 2 85 85 VAL N N 15 126.03 . . 1 . . . . . 85 VAL N . 27437 1 233 . 2 2 86 86 THR H H 1 7.52 . . 1 . . . . . 86 THR H . 27437 1 234 . 2 2 86 86 THR CA C 13 63.34 . . 1 . . . . . 86 THR CA . 27437 1 235 . 2 2 86 86 THR CB C 13 69.90 . . 1 . . . . . 86 THR CB . 27437 1 236 . 2 2 86 86 THR N N 15 110.75 . . 1 . . . . . 86 THR N . 27437 1 237 . 2 2 87 87 LEU H H 1 8.02 . . 1 . . . . . 87 LEU H . 27437 1 238 . 2 2 87 87 LEU CA C 13 53.48 . . 1 . . . . . 87 LEU CA . 27437 1 239 . 2 2 87 87 LEU N N 15 123.24 . . 1 . . . . . 87 LEU N . 27437 1 240 . 2 2 91 91 LYS H H 1 8.87 . . 1 . . . . . 91 LYS H . 27437 1 241 . 2 2 91 91 LYS CA C 13 54.67 . . 1 . . . . . 91 LYS CA . 27437 1 242 . 2 2 91 91 LYS CB C 13 35.41 . . 1 . . . . . 91 LYS CB . 27437 1 243 . 2 2 91 91 LYS N N 15 125.22 . . 1 . . . . . 91 LYS N . 27437 1 244 . 2 2 92 92 ILE H H 1 8.59 . . 1 . . . . . 92 ILE H . 27437 1 245 . 2 2 92 92 ILE CA C 13 60.51 . . 1 . . . . . 92 ILE CA . 27437 1 246 . 2 2 92 92 ILE CB C 13 39.25 . . 1 . . . . . 92 ILE CB . 27437 1 247 . 2 2 92 92 ILE N N 15 124.73 . . 1 . . . . . 92 ILE N . 27437 1 248 . 2 2 93 93 VAL H H 1 9.06 . . 1 . . . . . 93 VAL H . 27437 1 249 . 2 2 93 93 VAL CA C 13 61.52 . . 1 . . . . . 93 VAL CA . 27437 1 250 . 2 2 93 93 VAL CB C 13 34.45 . . 1 . . . . . 93 VAL CB . 27437 1 251 . 2 2 93 93 VAL N N 15 129.45 . . 1 . . . . . 93 VAL N . 27437 1 252 . 2 2 94 94 LYS H H 1 8.88 . . 1 . . . . . 94 LYS H . 27437 1 253 . 2 2 94 94 LYS CA C 13 56.47 . . 1 . . . . . 94 LYS CA . 27437 1 254 . 2 2 94 94 LYS CB C 13 33.52 . . 1 . . . . . 94 LYS CB . 27437 1 255 . 2 2 94 94 LYS N N 15 127.70 . . 1 . . . . . 94 LYS N . 27437 1 256 . 2 2 95 95 TRP H H 1 8.79 . . 1 . . . . . 95 TRP H . 27437 1 257 . 2 2 95 95 TRP CA C 13 57.03 . . 1 . . . . . 95 TRP CA . 27437 1 258 . 2 2 95 95 TRP CB C 13 28.49 . . 1 . . . . . 95 TRP CB . 27437 1 259 . 2 2 95 95 TRP N N 15 122.20 . . 1 . . . . . 95 TRP N . 27437 1 260 . 2 2 96 96 ASP H H 1 8.66 . . 1 . . . . . 96 ASP H . 27437 1 261 . 2 2 96 96 ASP CA C 13 52.74 . . 1 . . . . . 96 ASP CA . 27437 1 262 . 2 2 96 96 ASP N N 15 132.16 . . 1 . . . . . 96 ASP N . 27437 1 263 . 2 2 98 98 ASP H H 1 8.31 . . 1 . . . . . 98 ASP H . 27437 1 264 . 2 2 98 98 ASP CA C 13 55.25 . . 1 . . . . . 98 ASP CA . 27437 1 265 . 2 2 98 98 ASP N N 15 121.07 . . 1 . . . . . 98 ASP N . 27437 1 stop_ save_ ################################### # 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_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 27437 _Assigned_chem_shift_list.ID 2 _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 . _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' . . . 27437 2 2 '3D HNCA' . . . 27437 2 3 '3D HNCACB' . . . 27437 2 4 '3D HN(CO)CA' . . . 27437 2 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 32 32 PRO CA C 13 64.16 . . 1 . . . . . 32 PRO CA . 27437 2 2 . 1 1 33 33 GLN H H 1 7.31 . . 1 . . . . . 33 GLN H . 27437 2 3 . 1 1 33 33 GLN CA C 13 58.37 . . 1 . . . . . 33 GLN CA . 27437 2 4 . 1 1 33 33 GLN CB C 13 28.06 . . 1 . . . . . 33 GLN CB . 27437 2 5 . 1 1 33 33 GLN N N 15 117.52 . . 1 . . . . . 33 GLN N . 27437 2 6 . 1 1 34 34 GLN H H 1 7.59 . . 1 . . . . . 34 GLN H . 27437 2 7 . 1 1 34 34 GLN CA C 13 55.91 . . 1 . . . . . 34 GLN CA . 27437 2 8 . 1 1 34 34 GLN CB C 13 30.37 . . 1 . . . . . 34 GLN CB . 27437 2 9 . 1 1 34 34 GLN N N 15 115.00 . . 1 . . . . . 34 GLN N . 27437 2 10 . 1 1 35 35 TYR H H 1 7.33 . . 1 . . . . . 35 TYR H . 27437 2 11 . 1 1 35 35 TYR CA C 13 54.54 . . 1 . . . . . 35 TYR CA . 27437 2 12 . 1 1 35 35 TYR CB C 13 37.55 . . 1 . . . . . 35 TYR CB . 27437 2 13 . 1 1 35 35 TYR N N 15 121.73 . . 1 . . . . . 35 TYR N . 27437 2 14 . 1 1 36 36 LEU H H 1 9.96 . . 1 . . . . . 36 LEU H . 27437 2 15 . 1 1 36 36 LEU CA C 13 56.49 . . 1 . . . . . 36 LEU CA . 27437 2 16 . 1 1 36 36 LEU CB C 13 44.95 . . 1 . . . . . 36 LEU CB . 27437 2 17 . 1 1 36 36 LEU N N 15 127.22 . . 1 . . . . . 36 LEU N . 27437 2 18 . 1 1 37 37 SER H H 1 8.13 . . 1 . . . . . 37 SER H . 27437 2 19 . 1 1 37 37 SER CA C 13 55.36 . . 1 . . . . . 37 SER CA . 27437 2 20 . 1 1 37 37 SER CB C 13 62.56 . . 1 . . . . . 37 SER CB . 27437 2 21 . 1 1 37 37 SER N N 15 119.18 . . 1 . . . . . 37 SER N . 27437 2 22 . 1 1 38 38 TYR H H 1 6.51 . . 1 . . . . . 38 TYR H . 27437 2 23 . 1 1 38 38 TYR CA C 13 58.68 . . 1 . . . . . 38 TYR CA . 27437 2 24 . 1 1 38 38 TYR CB C 13 37.11 . . 1 . . . . . 38 TYR CB . 27437 2 25 . 1 1 38 38 TYR N N 15 111.44 . . 1 . . . . . 38 TYR N . 27437 2 26 . 1 1 39 39 ASN H H 1 7.37 . . 1 . . . . . 39 ASN H . 27437 2 27 . 1 1 39 39 ASN CA C 13 53.30 . . 1 . . . . . 39 ASN CA . 27437 2 28 . 1 1 39 39 ASN CB C 13 39.64 . . 1 . . . . . 39 ASN CB . 27437 2 29 . 1 1 39 39 ASN N N 15 116.41 . . 1 . . . . . 39 ASN N . 27437 2 30 . 1 1 40 40 SER H H 1 9.09 . . 1 . . . . . 40 SER H . 27437 2 31 . 1 1 40 40 SER CA C 13 60.52 . . 1 . . . . . 40 SER CA . 27437 2 32 . 1 1 40 40 SER CB C 13 63.30 . . 1 . . . . . 40 SER CB . 27437 2 33 . 1 1 40 40 SER N N 15 119.41 . . 1 . . . . . 40 SER N . 27437 2 34 . 1 1 41 41 LEU H H 1 8.80 . . 1 . . . . . 41 LEU H . 27437 2 35 . 1 1 41 41 LEU CA C 13 52.64 . . 1 . . . . . 41 LEU CA . 27437 2 36 . 1 1 41 41 LEU CB C 13 46.11 . . 1 . . . . . 41 LEU CB . 27437 2 37 . 1 1 41 41 LEU N N 15 122.35 . . 1 . . . . . 41 LEU N . 27437 2 38 . 1 1 47 47 PRO CA C 13 61.99 . . 1 . . . . . 47 PRO CA . 27437 2 39 . 1 1 48 48 CYS H H 1 9.71 . . 1 . . . . . 48 CYS H . 27437 2 40 . 1 1 48 48 CYS CA C 13 53.17 . . 1 . . . . . 48 CYS CA . 27437 2 41 . 1 1 48 48 CYS CB C 13 42.07 . . 1 . . . . . 48 CYS CB . 27437 2 42 . 1 1 48 48 CYS N N 15 131.78 . . 1 . . . . . 48 CYS N . 27437 2 43 . 1 1 49 49 GLY H H 1 10.28 . . 1 . . . . . 49 GLY H . 27437 2 44 . 1 1 49 49 GLY CA C 13 45.58 . . 1 . . . . . 49 GLY CA . 27437 2 45 . 1 1 49 49 GLY N N 15 107.51 . . 1 . . . . . 49 GLY N . 27437 2 46 . 1 1 50 50 ALA H H 1 7.86 . . 1 . . . . . 50 ALA H . 27437 2 47 . 1 1 50 50 ALA CA C 13 54.20 . . 1 . . . . . 50 ALA CA . 27437 2 48 . 1 1 50 50 ALA CB C 13 20.06 . . 1 . . . . . 50 ALA CB . 27437 2 49 . 1 1 50 50 ALA N N 15 121.24 . . 1 . . . . . 50 ALA N . 27437 2 50 . 1 1 51 51 TRP H H 1 8.18 . . 1 . . . . . 51 TRP H . 27437 2 51 . 1 1 51 51 TRP CA C 13 57.97 . . 1 . . . . . 51 TRP CA . 27437 2 52 . 1 1 51 51 TRP CB C 13 31.97 . . 1 . . . . . 51 TRP CB . 27437 2 53 . 1 1 51 51 TRP N N 15 123.01 . . 1 . . . . . 51 TRP N . 27437 2 54 . 1 1 52 52 VAL H H 1 9.62 . . 1 . . . . . 52 VAL H . 27437 2 55 . 1 1 52 52 VAL CA C 13 60.33 . . 1 . . . . . 52 VAL CA . 27437 2 56 . 1 1 52 52 VAL CB C 13 37.90 . . 1 . . . . . 52 VAL CB . 27437 2 57 . 1 1 52 52 VAL N N 15 119.48 . . 1 . . . . . 52 VAL N . 27437 2 58 . 1 1 53 53 TRP H H 1 7.51 . . 1 . . . . . 53 TRP H . 27437 2 59 . 1 1 53 53 TRP CA C 13 53.12 . . 1 . . . . . 53 TRP CA . 27437 2 60 . 1 1 53 53 TRP CB C 13 29.73 . . 1 . . . . . 53 TRP CB . 27437 2 61 . 1 1 53 53 TRP N N 15 117.27 . . 1 . . . . . 53 TRP N . 27437 2 62 . 1 1 54 54 GLU H H 1 7.87 . . 1 . . . . . 54 GLU H . 27437 2 63 . 1 1 54 54 GLU CA C 13 55.52 . . 1 . . . . . 54 GLU CA . 27437 2 64 . 1 1 54 54 GLU CB C 13 25.88 . . 1 . . . . . 54 GLU CB . 27437 2 65 . 1 1 54 54 GLU N N 15 112.12 . . 1 . . . . . 54 GLU N . 27437 2 66 . 1 1 125 125 GLY CA C 13 45.20 . . 1 . . . . . 125 GLY CA . 27437 2 67 . 1 1 126 126 THR H H 1 8.05 . . 1 . . . . . 126 THR H . 27437 2 68 . 1 1 126 126 THR CA C 13 59.17 . . 1 . . . . . 126 THR CA . 27437 2 69 . 1 1 126 126 THR CB C 13 69.39 . . 1 . . . . . 126 THR CB . 27437 2 70 . 1 1 126 126 THR N N 15 112.03 . . 1 . . . . . 126 THR N . 27437 2 71 . 1 1 228 228 PRO CA C 13 61.44 . . 1 . . . . . 228 PRO CA . 27437 2 72 . 1 1 229 229 ASN H H 1 8.91 . . 1 . . . . . 229 ASN H . 27437 2 73 . 1 1 229 229 ASN CA C 13 55.06 . . 1 . . . . . 229 ASN CA . 27437 2 74 . 1 1 229 229 ASN CB C 13 35.26 . . 1 . . . . . 229 ASN CB . 27437 2 75 . 1 1 229 229 ASN N N 15 126.05 . . 1 . . . . . 229 ASN N . 27437 2 76 . 1 1 230 230 SER H H 1 8.28 . . 1 . . . . . 230 SER H . 27437 2 77 . 1 1 230 230 SER CA C 13 59.52 . . 1 . . . . . 230 SER CA . 27437 2 78 . 1 1 230 230 SER CB C 13 63.61 . . 1 . . . . . 230 SER CB . 27437 2 79 . 1 1 230 230 SER N N 15 117.31 . . 1 . . . . . 230 SER N . 27437 2 80 . 1 1 231 231 ASP H H 1 9.40 . . 1 . . . . . 231 ASP H . 27437 2 81 . 1 1 231 231 ASP CA C 13 57.21 . . 1 . . . . . 231 ASP CA . 27437 2 82 . 1 1 231 231 ASP CB C 13 42.33 . . 1 . . . . . 231 ASP CB . 27437 2 83 . 1 1 231 231 ASP N N 15 127.73 . . 1 . . . . . 231 ASP N . 27437 2 84 . 1 1 232 232 GLY H H 1 8.48 . . 1 . . . . . 232 GLY H . 27437 2 85 . 1 1 232 232 GLY CA C 13 46.22 . . 1 . . . . . 232 GLY CA . 27437 2 86 . 1 1 232 232 GLY N N 15 104.53 . . 1 . . . . . 232 GLY N . 27437 2 stop_ save_