################################### # 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_TNRC6Bm1_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode TNRC6Bm1_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19478 _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 $TNRC6Bm1_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' . . . 19478 1 2 '3D HNCA' . . . 19478 1 3 '3D HNCACB' . . . 19478 1 4 '3D CBCA(CO)NH' . . . 19478 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 3 3 ASP H H 1 8.670 0.020 . 1 . . . . 3 ASP H . 19478 1 2 . 1 1 3 3 ASP CA C 13 53.957 0.3 . 1 . . . . 3 ASP CA . 19478 1 3 . 1 1 3 3 ASP CB C 13 39.845 0.3 . 1 . . . . 3 ASP CB . 19478 1 4 . 1 1 3 3 ASP N N 15 120.133 0.3 . 1 . . . . 3 ASP N . 19478 1 5 . 1 1 4 4 SER H H 1 8.268 0.020 . 1 . . . . 4 SER H . 19478 1 6 . 1 1 4 4 SER CA C 13 57.667 0.3 . 1 . . . . 4 SER CA . 19478 1 7 . 1 1 4 4 SER CB C 13 62.412 0.3 . 1 . . . . 4 SER CB . 19478 1 8 . 1 1 4 4 SER N N 15 116.171 0.3 . 1 . . . . 4 SER N . 19478 1 9 . 1 1 6 6 ASP H H 1 8.404 0.020 . 1 . . . . 6 ASP H . 19478 1 10 . 1 1 6 6 ASP CA C 13 53.940 0.3 . 1 . . . . 6 ASP CA . 19478 1 11 . 1 1 6 6 ASP CB C 13 39.889 0.3 . 1 . . . . 6 ASP CB . 19478 1 12 . 1 1 6 6 ASP N N 15 121.493 0.3 . 1 . . . . 6 ASP N . 19478 1 13 . 1 1 7 7 CYS H H 1 8.386 0.020 . 1 . . . . 7 CYS H . 19478 1 14 . 1 1 7 7 CYS CA C 13 57.728 0.3 . 1 . . . . 7 CYS CA . 19478 1 15 . 1 1 7 7 CYS CB C 13 26.768 0.3 . 1 . . . . 7 CYS CB . 19478 1 16 . 1 1 7 7 CYS N N 15 119.780 0.3 . 1 . . . . 7 CYS N . 19478 1 17 . 1 1 8 8 GLN H H 1 8.522 0.020 . 1 . . . . 8 GLN H . 19478 1 18 . 1 1 8 8 GLN CA C 13 54.924 0.3 . 1 . . . . 8 GLN CA . 19478 1 19 . 1 1 8 8 GLN CB C 13 28.574 0.3 . 1 . . . . 8 GLN CB . 19478 1 20 . 1 1 8 8 GLN N N 15 122.461 0.3 . 1 . . . . 8 GLN N . 19478 1 21 . 1 1 9 9 ALA H H 1 8.302 0.020 . 1 . . . . 9 ALA H . 19478 1 22 . 1 1 9 9 ALA CA C 13 52.015 0.3 . 1 . . . . 9 ALA CA . 19478 1 23 . 1 1 9 9 ALA CB C 13 18.274 0.3 . 1 . . . . 9 ALA CB . 19478 1 24 . 1 1 9 9 ALA N N 15 123.031 0.3 . 1 . . . . 9 ALA N . 19478 1 25 . 1 1 10 10 VAL H H 1 8.242 0.020 . 1 . . . . 10 VAL H . 19478 1 26 . 1 1 10 10 VAL CA C 13 61.422 0.3 . 1 . . . . 10 VAL CA . 19478 1 27 . 1 1 10 10 VAL CB C 13 31.495 0.3 . 1 . . . . 10 VAL CB . 19478 1 28 . 1 1 10 10 VAL N N 15 120.316 0.3 . 1 . . . . 10 VAL N . 19478 1 29 . 1 1 11 11 LEU H H 1 8.434 0.020 . 1 . . . . 11 LEU H . 19478 1 30 . 1 1 11 11 LEU CA C 13 53.940 0.3 . 1 . . . . 11 LEU CA . 19478 1 31 . 1 1 11 11 LEU CB C 13 41.592 0.3 . 1 . . . . 11 LEU CB . 19478 1 32 . 1 1 11 11 LEU N N 15 126.881 0.3 . 1 . . . . 11 LEU N . 19478 1 33 . 1 1 13 13 THR H H 1 7.972 0.020 . 1 . . . . 13 THR H . 19478 1 34 . 1 1 13 13 THR CA C 13 62.334 0.3 . 1 . . . . 13 THR CA . 19478 1 35 . 1 1 13 13 THR CB C 13 69.876 0.3 . 1 . . . . 13 THR CB . 19478 1 36 . 1 1 13 13 THR N N 15 121.591 0.3 . 1 . . . . 13 THR N . 19478 1 37 . 1 1 15 15 LEU H H 1 8.763 0.020 . 1 . . . . 15 LEU H . 19478 1 38 . 1 1 15 15 LEU CA C 13 54.001 0.3 . 1 . . . . 15 LEU CA . 19478 1 39 . 1 1 15 15 LEU CB C 13 41.714 0.3 . 1 . . . . 15 LEU CB . 19478 1 40 . 1 1 15 15 LEU N N 15 125.447 0.3 . 1 . . . . 15 LEU N . 19478 1 41 . 1 1 16 16 SER H H 1 8.644 0.020 . 1 . . . . 16 SER H . 19478 1 42 . 1 1 16 16 SER CA C 13 56.755 0.3 . 1 . . . . 16 SER CA . 19478 1 43 . 1 1 16 16 SER CB C 13 63.324 0.3 . 1 . . . . 16 SER CB . 19478 1 44 . 1 1 16 16 SER N N 15 118.482 0.3 . 1 . . . . 16 SER N . 19478 1 45 . 1 1 17 17 ARG H H 1 8.623 0.020 . 1 . . . . 17 ARG H . 19478 1 46 . 1 1 17 17 ARG CA C 13 55.826 0.3 . 1 . . . . 17 ARG CA . 19478 1 47 . 1 1 17 17 ARG CB C 13 29.670 0.3 . 1 . . . . 17 ARG CB . 19478 1 48 . 1 1 17 17 ARG N N 15 123.483 0.3 . 1 . . . . 17 ARG N . 19478 1 49 . 1 1 18 18 THR H H 1 8.387 0.020 . 1 . . . . 18 THR H . 19478 1 50 . 1 1 18 18 THR CA C 13 61.439 0.3 . 1 . . . . 18 THR CA . 19478 1 51 . 1 1 18 18 THR CB C 13 68.799 0.3 . 1 . . . . 18 THR CB . 19478 1 52 . 1 1 18 18 THR N N 15 114.375 0.3 . 1 . . . . 18 THR N . 19478 1 53 . 1 1 19 19 ASP H H 1 8.424 0.020 . 1 . . . . 19 ASP H . 19478 1 54 . 1 1 19 19 ASP CA C 13 53.940 0.3 . 1 . . . . 19 ASP CA . 19478 1 55 . 1 1 19 19 ASP CB C 13 39.889 0.3 . 1 . . . . 19 ASP CB . 19478 1 56 . 1 1 19 19 ASP N N 15 122.213 0.3 . 1 . . . . 19 ASP N . 19478 1 57 . 1 1 20 20 LEU H H 1 8.049 0.020 . 1 . . . . 20 LEU H . 19478 1 58 . 1 1 20 20 LEU CA C 13 53.940 0.3 . 1 . . . . 20 LEU CA . 19478 1 59 . 1 1 20 20 LEU CB C 13 41.714 0.3 . 1 . . . . 20 LEU CB . 19478 1 60 . 1 1 20 20 LEU N N 15 121.479 0.3 . 1 . . . . 20 LEU N . 19478 1 61 . 1 1 21 21 ASP H H 1 8.341 0.020 . 1 . . . . 21 ASP H . 19478 1 62 . 1 1 21 21 ASP CA C 13 51.142 0.3 . 1 . . . . 21 ASP CA . 19478 1 63 . 1 1 21 21 ASP CB C 13 40.801 0.3 . 1 . . . . 21 ASP CB . 19478 1 64 . 1 1 21 21 ASP N N 15 123.275 0.3 . 1 . . . . 21 ASP N . 19478 1 65 . 1 1 23 23 ARG H H 1 8.494 0.020 . 1 . . . . 23 ARG H . 19478 1 66 . 1 1 23 23 ARG CA C 13 55.903 0.3 . 1 . . . . 23 ARG CA . 19478 1 67 . 1 1 23 23 ARG CB C 13 29.566 0.3 . 1 . . . . 23 ARG CB . 19478 1 68 . 1 1 23 23 ARG N N 15 119.831 0.3 . 1 . . . . 23 ARG N . 19478 1 69 . 1 1 24 24 VAL H H 1 7.966 0.020 . 1 . . . . 24 VAL H . 19478 1 70 . 1 1 24 24 VAL CA C 13 61.864 0.3 . 1 . . . . 24 VAL CA . 19478 1 71 . 1 1 24 24 VAL CB C 13 31.451 0.3 . 1 . . . . 24 VAL CB . 19478 1 72 . 1 1 24 24 VAL N N 15 120.133 0.3 . 1 . . . . 24 VAL N . 19478 1 73 . 1 1 25 25 LEU H H 1 8.234 0.020 . 1 . . . . 25 LEU H . 19478 1 74 . 1 1 25 25 LEU CA C 13 54.244 0.3 . 1 . . . . 25 LEU CA . 19478 1 75 . 1 1 25 25 LEU CB C 13 40.862 0.3 . 1 . . . . 25 LEU CB . 19478 1 76 . 1 1 25 25 LEU N N 15 125.150 0.3 . 1 . . . . 25 LEU N . 19478 1 77 . 1 1 26 26 SER H H 1 8.248 0.020 . 1 . . . . 26 SER H . 19478 1 78 . 1 1 26 26 SER CA C 13 57.667 0.3 . 1 . . . . 26 SER CA . 19478 1 79 . 1 1 26 26 SER CB C 13 62.838 0.3 . 1 . . . . 26 SER CB . 19478 1 80 . 1 1 26 26 SER N N 15 115.830 0.3 . 1 . . . . 26 SER N . 19478 1 81 . 1 1 27 27 ASN H H 1 8.496 0.020 . 1 . . . . 27 ASN H . 19478 1 82 . 1 1 27 27 ASN CA C 13 52.480 0.3 . 1 . . . . 27 ASN CA . 19478 1 83 . 1 1 27 27 ASN CB C 13 37.943 0.3 . 1 . . . . 27 ASN CB . 19478 1 84 . 1 1 27 27 ASN N N 15 120.913 0.3 . 1 . . . . 27 ASN N . 19478 1 85 . 1 1 28 28 THR H H 1 8.171 0.020 . 1 . . . . 28 THR H . 19478 1 86 . 1 1 28 28 THR CA C 13 61.439 0.3 . 1 . . . . 28 THR CA . 19478 1 87 . 1 1 28 28 THR CB C 13 68.920 0.3 . 1 . . . . 28 THR CB . 19478 1 88 . 1 1 28 28 THR N N 15 113.272 0.3 . 1 . . . . 28 THR N . 19478 1 89 . 1 1 29 29 GLY H H 1 8.434 0.020 . 1 . . . . 29 GLY H . 19478 1 90 . 1 1 29 29 GLY CA C 13 44.590 0.3 . 1 . . . . 29 GLY CA . 19478 1 91 . 1 1 29 29 GLY N N 15 110.964 0.3 . 1 . . . . 29 GLY N . 19478 1 92 . 1 1 32 32 GLN H H 1 8.193 0.020 . 1 . . . . 32 GLN H . 19478 1 93 . 1 1 32 32 GLN CA C 13 54.930 0.3 . 1 . . . . 32 GLN CA . 19478 1 94 . 1 1 32 32 GLN CB C 13 28.592 0.3 . 1 . . . . 32 GLN CB . 19478 1 95 . 1 1 32 32 GLN N N 15 119.713 0.3 . 1 . . . . 32 GLN N . 19478 1 96 . 1 1 33 33 THR H H 1 8.287 0.020 . 1 . . . . 33 THR H . 19478 1 97 . 1 1 33 33 THR CA C 13 61.439 0.3 . 1 . . . . 33 THR CA . 19478 1 98 . 1 1 33 33 THR CB C 13 68.920 0.3 . 1 . . . . 33 THR CB . 19478 1 99 . 1 1 33 33 THR N N 15 115.500 0.3 . 1 . . . . 33 THR N . 19478 1 100 . 1 1 34 34 GLN H H 1 8.464 0.020 . 1 . . . . 34 GLN H . 19478 1 101 . 1 1 34 34 GLN CA C 13 54.852 0.3 . 1 . . . . 34 GLN CA . 19478 1 102 . 1 1 34 34 GLN CB C 13 28.636 0.3 . 1 . . . . 34 GLN CB . 19478 1 103 . 1 1 34 34 GLN N N 15 123.165 0.3 . 1 . . . . 34 GLN N . 19478 1 104 . 1 1 35 35 ILE H H 1 8.304 0.020 . 1 . . . . 35 ILE H . 19478 1 105 . 1 1 35 35 ILE CA C 13 60.509 0.3 . 1 . . . . 35 ILE CA . 19478 1 106 . 1 1 35 35 ILE CB C 13 37.943 0.3 . 1 . . . . 35 ILE CB . 19478 1 107 . 1 1 35 35 ILE N N 15 123.136 0.3 . 1 . . . . 35 ILE N . 19478 1 108 . 1 1 36 36 LYS H H 1 8.538 0.020 . 1 . . . . 36 LYS H . 19478 1 109 . 1 1 36 36 LYS CA C 13 55.339 0.3 . 1 . . . . 36 LYS CA . 19478 1 110 . 1 1 36 36 LYS CB C 13 32.286 0.3 . 1 . . . . 36 LYS CB . 19478 1 111 . 1 1 36 36 LYS N N 15 126.658 0.3 . 1 . . . . 36 LYS N . 19478 1 112 . 1 1 37 37 GLN H H 1 8.619 0.020 . 1 . . . . 37 GLN H . 19478 1 113 . 1 1 37 37 GLN CA C 13 54.913 0.3 . 1 . . . . 37 GLN CA . 19478 1 114 . 1 1 37 37 GLN CB C 13 28.636 0.3 . 1 . . . . 37 GLN CB . 19478 1 115 . 1 1 37 37 GLN N N 15 123.056 0.3 . 1 . . . . 37 GLN N . 19478 1 116 . 1 1 38 38 ASP H H 1 8.568 0.020 . 1 . . . . 38 ASP H . 19478 1 117 . 1 1 38 38 ASP CA C 13 54.062 0.3 . 1 . . . . 38 ASP CA . 19478 1 118 . 1 1 38 38 ASP CB C 13 39.950 0.3 . 1 . . . . 38 ASP CB . 19478 1 119 . 1 1 38 38 ASP N N 15 122.114 0.3 . 1 . . . . 38 ASP N . 19478 1 120 . 1 1 39 39 THR H H 1 8.178 0.020 . 1 . . . . 39 THR H . 19478 1 121 . 1 1 39 39 THR CA C 13 61.439 0.3 . 1 . . . . 39 THR CA . 19478 1 122 . 1 1 39 39 THR CB C 13 68.920 0.3 . 1 . . . . 39 THR CB . 19478 1 123 . 1 1 39 39 THR N N 15 115.098 0.3 . 1 . . . . 39 THR N . 19478 1 124 . 1 1 40 40 VAL H H 1 8.197 0.020 . 1 . . . . 40 VAL H . 19478 1 125 . 1 1 40 40 VAL CA C 13 61.439 0.3 . 1 . . . . 40 VAL CA . 19478 1 126 . 1 1 40 40 VAL CB C 13 31.451 0.3 . 1 . . . . 40 VAL CB . 19478 1 127 . 1 1 40 40 VAL N N 15 122.987 0.3 . 1 . . . . 40 VAL N . 19478 1 128 . 1 1 41 41 TRP H H 1 8.235 0.020 . 1 . . . . 41 TRP H . 19478 1 129 . 1 1 41 41 TRP CA C 13 55.826 0.3 . 1 . . . . 41 TRP CA . 19478 1 130 . 1 1 41 41 TRP CB C 13 28.697 0.3 . 1 . . . . 41 TRP CB . 19478 1 131 . 1 1 41 41 TRP N N 15 125.199 0.3 . 1 . . . . 41 TRP N . 19478 1 132 . 1 1 42 42 ASP H H 1 8.297 0.020 . 1 . . . . 42 ASP H . 19478 1 133 . 1 1 42 42 ASP CA C 13 53.149 0.3 . 1 . . . . 42 ASP CA . 19478 1 134 . 1 1 42 42 ASP CB C 13 39.889 0.3 . 1 . . . . 42 ASP CB . 19478 1 135 . 1 1 42 42 ASP N N 15 122.610 0.3 . 1 . . . . 42 ASP N . 19478 1 136 . 1 1 43 43 ILE H H 1 8.056 0.020 . 1 . . . . 43 ILE H . 19478 1 137 . 1 1 43 43 ILE CA C 13 60.465 0.3 . 1 . . . . 43 ILE CA . 19478 1 138 . 1 1 43 43 ILE CB C 13 37.960 0.3 . 1 . . . . 43 ILE CB . 19478 1 139 . 1 1 43 43 ILE N N 15 120.989 0.3 . 1 . . . . 43 ILE N . 19478 1 140 . 1 1 44 44 GLU H H 1 8.503 0.020 . 1 . . . . 44 GLU H . 19478 1 141 . 1 1 44 44 GLU CA C 13 55.826 0.3 . 1 . . . . 44 GLU CA . 19478 1 142 . 1 1 44 44 GLU CB C 13 29.549 0.3 . 1 . . . . 44 GLU CB . 19478 1 143 . 1 1 44 44 GLU N N 15 124.693 0.3 . 1 . . . . 44 GLU N . 19478 1 144 . 1 1 45 45 GLU H H 1 8.452 0.020 . 1 . . . . 45 GLU H . 19478 1 145 . 1 1 45 45 GLU CA C 13 55.278 0.3 . 1 . . . . 45 GLU CA . 19478 1 146 . 1 1 45 45 GLU CB C 13 29.549 0.3 . 1 . . . . 45 GLU CB . 19478 1 147 . 1 1 45 45 GLU N N 15 122.987 0.3 . 1 . . . . 45 GLU N . 19478 1 148 . 1 1 46 46 VAL H H 1 8.322 0.020 . 1 . . . . 46 VAL H . 19478 1 149 . 1 1 46 46 VAL CA C 13 59.353 0.3 . 1 . . . . 46 VAL CA . 19478 1 150 . 1 1 46 46 VAL CB C 13 31.495 0.3 . 1 . . . . 46 VAL CB . 19478 1 151 . 1 1 46 46 VAL N N 15 123.939 0.3 . 1 . . . . 46 VAL N . 19478 1 152 . 1 1 48 48 ARG H H 1 8.570 0.020 . 1 . . . . 48 ARG H . 19478 1 153 . 1 1 48 48 ARG CA C 13 52.967 0.3 . 1 . . . . 48 ARG CA . 19478 1 154 . 1 1 48 48 ARG CB C 13 29.366 0.3 . 1 . . . . 48 ARG CB . 19478 1 155 . 1 1 48 48 ARG N N 15 123.066 0.3 . 1 . . . . 48 ARG N . 19478 1 156 . 1 1 50 50 GLU H H 1 8.758 0.020 . 1 . . . . 50 GLU H . 19478 1 157 . 1 1 50 50 GLU CA C 13 55.826 0.3 . 1 . . . . 50 GLU CA . 19478 1 158 . 1 1 50 50 GLU CB C 13 29.549 0.3 . 1 . . . . 50 GLU CB . 19478 1 159 . 1 1 50 50 GLU N N 15 121.509 0.3 . 1 . . . . 50 GLU N . 19478 1 160 . 1 1 51 51 GLY H H 1 8.515 0.020 . 1 . . . . 51 GLY H . 19478 1 161 . 1 1 51 51 GLY CA C 13 44.529 0.3 . 1 . . . . 51 GLY CA . 19478 1 162 . 1 1 51 51 GLY N N 15 110.372 0.3 . 1 . . . . 51 GLY N . 19478 1 163 . 1 1 52 52 LYS H H 1 8.313 0.020 . 1 . . . . 52 LYS H . 19478 1 164 . 1 1 52 52 LYS CA C 13 54.913 0.3 . 1 . . . . 52 LYS CA . 19478 1 165 . 1 1 52 52 LYS CB C 13 32.347 0.3 . 1 . . . . 52 LYS CB . 19478 1 166 . 1 1 52 52 LYS N N 15 121.122 0.3 . 1 . . . . 52 LYS N . 19478 1 167 . 1 1 53 53 SER H H 1 8.546 0.020 . 1 . . . . 53 SER H . 19478 1 168 . 1 1 53 53 SER CA C 13 57.667 0.3 . 1 . . . . 53 SER CA . 19478 1 169 . 1 1 53 53 SER CB C 13 63.263 0.3 . 1 . . . . 53 SER CB . 19478 1 170 . 1 1 53 53 SER N N 15 117.584 0.3 . 1 . . . . 53 SER N . 19478 1 171 . 1 1 54 54 ASP H H 1 8.498 0.020 . 1 . . . . 54 ASP H . 19478 1 172 . 1 1 54 54 ASP CA C 13 53.149 0.3 . 1 . . . . 54 ASP CA . 19478 1 173 . 1 1 54 54 ASP CB C 13 39.889 0.3 . 1 . . . . 54 ASP CB . 19478 1 174 . 1 1 54 54 ASP N N 15 122.907 0.3 . 1 . . . . 54 ASP N . 19478 1 175 . 1 1 55 55 LYS H H 1 8.380 0.020 . 1 . . . . 55 LYS H . 19478 1 176 . 1 1 55 55 LYS CA C 13 55.826 0.3 . 1 . . . . 55 LYS CA . 19478 1 177 . 1 1 55 55 LYS CB C 13 31.495 0.3 . 1 . . . . 55 LYS CB . 19478 1 178 . 1 1 55 55 LYS N N 15 121.717 0.3 . 1 . . . . 55 LYS N . 19478 1 179 . 1 1 56 56 GLY H H 1 8.461 0.020 . 1 . . . . 56 GLY H . 19478 1 180 . 1 1 56 56 GLY CA C 13 44.529 0.3 . 1 . . . . 56 GLY CA . 19478 1 181 . 1 1 56 56 GLY N N 15 109.985 0.3 . 1 . . . . 56 GLY N . 19478 1 182 . 1 1 57 57 THR H H 1 8.115 0.020 . 1 . . . . 57 THR H . 19478 1 183 . 1 1 57 57 THR CA C 13 60.830 0.3 . 1 . . . . 57 THR CA . 19478 1 184 . 1 1 57 57 THR CB C 13 68.920 0.3 . 1 . . . . 57 THR CB . 19478 1 185 . 1 1 57 57 THR N N 15 113.313 0.3 . 1 . . . . 57 THR N . 19478 1 186 . 1 1 58 58 GLU H H 1 8.668 0.020 . 1 . . . . 58 GLU H . 19478 1 187 . 1 1 58 58 GLU CA C 13 56.738 0.3 . 1 . . . . 58 GLU CA . 19478 1 188 . 1 1 58 58 GLU CB C 13 28.697 0.3 . 1 . . . . 58 GLU CB . 19478 1 189 . 1 1 58 58 GLU N N 15 123.423 0.3 . 1 . . . . 58 GLU N . 19478 1 190 . 1 1 59 59 GLY H H 1 8.641 0.020 . 1 . . . . 59 GLY H . 19478 1 191 . 1 1 59 59 GLY CA C 13 44.529 0.3 . 1 . . . . 59 GLY CA . 19478 1 192 . 1 1 59 59 GLY N N 15 110.498 0.3 . 1 . . . . 59 GLY N . 19478 1 193 . 1 1 60 60 TRP H H 1 8.009 0.020 . 1 . . . . 60 TRP H . 19478 1 194 . 1 1 60 60 TRP CA C 13 56.755 0.3 . 1 . . . . 60 TRP CA . 19478 1 195 . 1 1 60 60 TRP CB C 13 28.592 0.3 . 1 . . . . 60 TRP CB . 19478 1 196 . 1 1 60 60 TRP N N 15 121.040 0.3 . 1 . . . . 60 TRP N . 19478 1 197 . 1 1 61 61 GLU H H 1 8.346 0.020 . 1 . . . . 61 GLU H . 19478 1 198 . 1 1 61 61 GLU CA C 13 55.886 0.3 . 1 . . . . 61 GLU CA . 19478 1 199 . 1 1 61 61 GLU CB C 13 29.244 0.3 . 1 . . . . 61 GLU CB . 19478 1 200 . 1 1 61 61 GLU N N 15 122.838 0.3 . 1 . . . . 61 GLU N . 19478 1 201 . 1 1 62 62 SER H H 1 8.183 0.020 . 1 . . . . 62 SER H . 19478 1 202 . 1 1 62 62 SER CA C 13 57.667 0.3 . 1 . . . . 62 SER CA . 19478 1 203 . 1 1 62 62 SER CB C 13 62.777 0.3 . 1 . . . . 62 SER CB . 19478 1 204 . 1 1 62 62 SER N N 15 116.460 0.3 . 1 . . . . 62 SER N . 19478 1 205 . 1 1 63 63 ALA H H 1 8.339 0.020 . 1 . . . . 63 ALA H . 19478 1 206 . 1 1 63 63 ALA CA C 13 52.054 0.3 . 1 . . . . 63 ALA CA . 19478 1 207 . 1 1 63 63 ALA CB C 13 18.356 0.3 . 1 . . . . 63 ALA CB . 19478 1 208 . 1 1 63 63 ALA N N 15 125.844 0.3 . 1 . . . . 63 ALA N . 19478 1 209 . 1 1 64 64 ALA H H 1 8.279 0.020 . 1 . . . . 64 ALA H . 19478 1 210 . 1 1 64 64 ALA CA C 13 52.054 0.3 . 1 . . . . 64 ALA CA . 19478 1 211 . 1 1 64 64 ALA CB C 13 18.296 0.3 . 1 . . . . 64 ALA CB . 19478 1 212 . 1 1 64 64 ALA N N 15 122.501 0.3 . 1 . . . . 64 ALA N . 19478 1 213 . 1 1 65 65 THR H H 1 8.087 0.020 . 1 . . . . 65 THR H . 19478 1 214 . 1 1 65 65 THR CA C 13 61.439 0.3 . 1 . . . . 65 THR CA . 19478 1 215 . 1 1 65 65 THR CB C 13 68.859 0.3 . 1 . . . . 65 THR CB . 19478 1 216 . 1 1 65 65 THR N N 15 113.137 0.3 . 1 . . . . 65 THR N . 19478 1 217 . 1 1 66 66 GLN H H 1 8.366 0.020 . 1 . . . . 66 GLN H . 19478 1 218 . 1 1 66 66 GLN CA C 13 54.852 0.3 . 1 . . . . 66 GLN CA . 19478 1 219 . 1 1 66 66 GLN CB C 13 28.636 0.3 . 1 . . . . 66 GLN CB . 19478 1 220 . 1 1 66 66 GLN N N 15 122.669 0.3 . 1 . . . . 66 GLN N . 19478 1 221 . 1 1 67 67 THR H H 1 8.327 0.020 . 1 . . . . 67 THR H . 19478 1 222 . 1 1 67 67 THR CA C 13 61.439 0.3 . 1 . . . . 67 THR CA . 19478 1 223 . 1 1 67 67 THR CB C 13 68.920 0.3 . 1 . . . . 67 THR CB . 19478 1 224 . 1 1 67 67 THR N N 15 116.171 0.3 . 1 . . . . 67 THR N . 19478 1 225 . 1 1 68 68 LYS H H 1 8.459 0.020 . 1 . . . . 68 LYS H . 19478 1 226 . 1 1 68 68 LYS CA C 13 55.826 0.3 . 1 . . . . 68 LYS CA . 19478 1 227 . 1 1 68 68 LYS CB C 13 32.164 0.3 . 1 . . . . 68 LYS CB . 19478 1 228 . 1 1 68 68 LYS N N 15 123.939 0.3 . 1 . . . . 68 LYS N . 19478 1 229 . 1 1 69 69 ASN H H 1 8.572 0.020 . 1 . . . . 69 ASN H . 19478 1 230 . 1 1 69 69 ASN CA C 13 52.132 0.3 . 1 . . . . 69 ASN CA . 19478 1 231 . 1 1 69 69 ASN CB C 13 37.960 0.3 . 1 . . . . 69 ASN CB . 19478 1 232 . 1 1 69 69 ASN N N 15 120.032 0.3 . 1 . . . . 69 ASN N . 19478 1 233 . 1 1 70 70 SER H H 1 8.427 0.020 . 1 . . . . 70 SER H . 19478 1 234 . 1 1 70 70 SER CA C 13 57.728 0.3 . 1 . . . . 70 SER CA . 19478 1 235 . 1 1 70 70 SER CB C 13 62.655 0.3 . 1 . . . . 70 SER CB . 19478 1 236 . 1 1 70 70 SER N N 15 116.697 0.3 . 1 . . . . 70 SER N . 19478 1 237 . 1 1 71 71 GLY H H 1 8.549 0.020 . 1 . . . . 71 GLY H . 19478 1 238 . 1 1 71 71 GLY CA C 13 44.529 0.3 . 1 . . . . 71 GLY CA . 19478 1 239 . 1 1 71 71 GLY N N 15 111.332 0.3 . 1 . . . . 71 GLY N . 19478 1 240 . 1 1 72 72 GLY H H 1 8.256 0.020 . 1 . . . . 72 GLY H . 19478 1 241 . 1 1 72 72 GLY CA C 13 44.529 0.3 . 1 . . . . 72 GLY CA . 19478 1 242 . 1 1 72 72 GLY N N 15 108.787 0.3 . 1 . . . . 72 GLY N . 19478 1 243 . 1 1 75 75 ASP H H 1 8.146 0.020 . 1 . . . . 75 ASP H . 19478 1 244 . 1 1 75 75 ASP CA C 13 52.984 0.3 . 1 . . . . 75 ASP CA . 19478 1 245 . 1 1 75 75 ASP CB C 13 39.967 0.3 . 1 . . . . 75 ASP CB . 19478 1 246 . 1 1 75 75 ASP N N 15 120.418 0.3 . 1 . . . . 75 ASP N . 19478 1 247 . 1 1 76 76 ALA H H 1 8.286 0.020 . 1 . . . . 76 ALA H . 19478 1 248 . 1 1 76 76 ALA CA C 13 50.108 0.3 . 1 . . . . 76 ALA CA . 19478 1 249 . 1 1 76 76 ALA CB C 13 17.383 0.3 . 1 . . . . 76 ALA CB . 19478 1 250 . 1 1 76 76 ALA N N 15 125.249 0.3 . 1 . . . . 76 ALA N . 19478 1 251 . 1 1 78 78 SER H H 1 8.501 0.020 . 1 . . . . 78 SER H . 19478 1 252 . 1 1 78 78 SER CA C 13 57.728 0.3 . 1 . . . . 78 SER CA . 19478 1 253 . 1 1 78 78 SER CB C 13 63.324 0.3 . 1 . . . . 78 SER CB . 19478 1 254 . 1 1 78 78 SER N N 15 116.068 0.3 . 1 . . . . 78 SER N . 19478 1 255 . 1 1 79 79 GLN H H 1 8.512 0.020 . 1 . . . . 79 GLN H . 19478 1 256 . 1 1 79 79 GLN CA C 13 54.913 0.3 . 1 . . . . 79 GLN CA . 19478 1 257 . 1 1 79 79 GLN CB C 13 28.636 0.3 . 1 . . . . 79 GLN CB . 19478 1 258 . 1 1 79 79 GLN N N 15 122.203 0.3 . 1 . . . . 79 GLN N . 19478 1 259 . 1 1 80 80 SER H H 1 8.392 0.020 . 1 . . . . 80 SER H . 19478 1 260 . 1 1 80 80 SER CA C 13 57.667 0.3 . 1 . . . . 80 SER CA . 19478 1 261 . 1 1 80 80 SER CB C 13 62.473 0.3 . 1 . . . . 80 SER CB . 19478 1 262 . 1 1 80 80 SER N N 15 116.532 0.3 . 1 . . . . 80 SER N . 19478 1 263 . 1 1 82 82 GLN H H 1 8.341 0.020 . 1 . . . . 82 GLN H . 19478 1 264 . 1 1 82 82 GLN CA C 13 55.052 0.3 . 1 . . . . 82 GLN CA . 19478 1 265 . 1 1 82 82 GLN CB C 13 28.532 0.3 . 1 . . . . 82 GLN CB . 19478 1 266 . 1 1 82 82 GLN N N 15 120.167 0.3 . 1 . . . . 82 GLN N . 19478 1 267 . 1 1 83 83 MET H H 1 8.151 0.020 . 1 . . . . 83 MET H . 19478 1 268 . 1 1 83 83 MET CA C 13 56.677 0.3 . 1 . . . . 83 MET CA . 19478 1 269 . 1 1 83 83 MET CB C 13 32.407 0.3 . 1 . . . . 83 MET CB . 19478 1 270 . 1 1 83 83 MET N N 15 127.462 0.3 . 1 . . . . 83 MET N . 19478 1 271 . 1 1 85 85 SER H H 1 8.437 0.020 . 1 . . . . 85 SER H . 19478 1 272 . 1 1 85 85 SER CA C 13 57.667 0.3 . 1 . . . . 85 SER CA . 19478 1 273 . 1 1 85 85 SER CB C 13 62.473 0.3 . 1 . . . . 85 SER CB . 19478 1 274 . 1 1 85 85 SER N N 15 117.130 0.3 . 1 . . . . 85 SER N . 19478 1 275 . 1 1 86 86 GLY H H 1 8.504 0.020 . 1 . . . . 86 GLY H . 19478 1 276 . 1 1 86 86 GLY CA C 13 44.529 0.3 . 1 . . . . 86 GLY CA . 19478 1 277 . 1 1 86 86 GLY N N 15 110.768 0.3 . 1 . . . . 86 GLY N . 19478 1 278 . 1 1 89 89 GLU H H 1 8.075 0.020 . 1 . . . . 89 GLU H . 19478 1 279 . 1 1 89 89 GLU CA C 13 55.052 0.3 . 1 . . . . 89 GLU CA . 19478 1 280 . 1 1 89 89 GLU CB C 13 29.566 0.3 . 1 . . . . 89 GLU CB . 19478 1 281 . 1 1 89 89 GLU N N 15 120.452 0.3 . 1 . . . . 89 GLU N . 19478 1 282 . 1 1 90 90 LEU H H 1 8.020 0.020 . 1 . . . . 90 LEU H . 19478 1 283 . 1 1 90 90 LEU CA C 13 55.826 0.3 . 1 . . . . 90 LEU CA . 19478 1 284 . 1 1 90 90 LEU CB C 13 42.565 0.3 . 1 . . . . 90 LEU CB . 19478 1 285 . 1 1 90 90 LEU N N 15 128.795 0.3 . 1 . . . . 90 LEU N . 19478 1 stop_ save_