################################### # 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 19025 _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 DARR' . . . 19025 1 2 '2D NCA' . . . 19025 1 3 '3D NCACX' . . . 19025 1 4 '3D NCOCX' . . . 19025 1 5 '3D CANCX' . . . 19025 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 8 8 PRO CG C 13 27.77 0.10 . 1 . . . . 26 PRO CG . 19025 1 2 . 1 1 8 8 PRO CD C 13 50.89 0.10 . 1 . . . . 26 PRO CD . 19025 1 3 . 1 1 9 9 LEU C C 13 175.81 0.10 . 1 . . . . 27 LEU C . 19025 1 4 . 1 1 9 9 LEU CA C 13 55.47 0.10 . 1 . . . . 27 LEU CA . 19025 1 5 . 1 1 9 9 LEU CB C 13 43.51 0.10 . 1 . . . . 27 LEU CB . 19025 1 6 . 1 1 9 9 LEU N N 15 122.69 0.10 . 1 . . . . 27 LEU N . 19025 1 7 . 1 1 10 10 ARG C C 13 175.67 0.10 . 1 . . . . 28 ARG C . 19025 1 8 . 1 1 10 10 ARG CA C 13 54.01 0.09 . 1 . . . . 28 ARG CA . 19025 1 9 . 1 1 10 10 ARG CB C 13 31.22 0.24 . 1 . . . . 28 ARG CB . 19025 1 10 . 1 1 10 10 ARG N N 15 122.39 0.10 . 1 . . . . 28 ARG N . 19025 1 11 . 1 1 11 11 VAL C C 13 177.62 0.04 . 1 . . . . 29 VAL C . 19025 1 12 . 1 1 11 11 VAL CA C 13 66.35 0.08 . 1 . . . . 29 VAL CA . 19025 1 13 . 1 1 11 11 VAL CB C 13 31.16 0.05 . 1 . . . . 29 VAL CB . 19025 1 14 . 1 1 11 11 VAL CG1 C 13 22.95 0.09 . 2 . . . . 29 VAL CG1 . 19025 1 15 . 1 1 11 11 VAL CG2 C 13 21.62 0.01 . 2 . . . . 29 VAL CG2 . 19025 1 16 . 1 1 11 11 VAL N N 15 121.61 0.06 . 1 . . . . 29 VAL N . 19025 1 17 . 1 1 12 12 GLY C C 13 174.61 0.10 . 1 . . . . 30 GLY C . 19025 1 18 . 1 1 12 12 GLY CA C 13 45.23 0.07 . 1 . . . . 30 GLY CA . 19025 1 19 . 1 1 12 12 GLY N N 15 117.22 0.06 . 1 . . . . 30 GLY N . 19025 1 20 . 1 1 13 13 SER C C 13 173.27 0.05 . 1 . . . . 31 SER C . 19025 1 21 . 1 1 13 13 SER CA C 13 61.84 0.07 . 1 . . . . 31 SER CA . 19025 1 22 . 1 1 13 13 SER CB C 13 63.83 0.04 . 1 . . . . 31 SER CB . 19025 1 23 . 1 1 13 13 SER N N 15 119.06 0.01 . 1 . . . . 31 SER N . 19025 1 24 . 1 1 14 14 ARG C C 13 176.27 0.03 . 1 . . . . 32 ARG C . 19025 1 25 . 1 1 14 14 ARG CA C 13 53.17 0.13 . 1 . . . . 32 ARG CA . 19025 1 26 . 1 1 14 14 ARG CB C 13 29.53 0.17 . 1 . . . . 32 ARG CB . 19025 1 27 . 1 1 14 14 ARG CG C 13 28.03 0.10 . 1 . . . . 32 ARG CG . 19025 1 28 . 1 1 14 14 ARG CD C 13 41.27 0.10 . 1 . . . . 32 ARG CD . 19025 1 29 . 1 1 14 14 ARG N N 15 125.45 0.11 . 1 . . . . 32 ARG N . 19025 1 30 . 1 1 15 15 VAL C C 13 174.33 0.11 . 1 . . . . 33 VAL C . 19025 1 31 . 1 1 15 15 VAL CA C 13 58.11 0.05 . 1 . . . . 33 VAL CA . 19025 1 32 . 1 1 15 15 VAL CB C 13 37.80 0.07 . 1 . . . . 33 VAL CB . 19025 1 33 . 1 1 15 15 VAL CG1 C 13 23.18 0.01 . 2 . . . . 33 VAL CG1 . 19025 1 34 . 1 1 15 15 VAL CG2 C 13 18.23 0.03 . 2 . . . . 33 VAL CG2 . 19025 1 35 . 1 1 15 15 VAL N N 15 112.33 0.05 . 1 . . . . 33 VAL N . 19025 1 36 . 1 1 16 16 GLU C C 13 176.09 0.01 . 1 . . . . 34 GLU C . 19025 1 37 . 1 1 16 16 GLU CA C 13 53.82 0.17 . 1 . . . . 34 GLU CA . 19025 1 38 . 1 1 16 16 GLU CB C 13 34.26 0.07 . 1 . . . . 34 GLU CB . 19025 1 39 . 1 1 16 16 GLU N N 15 118.46 0.13 . 1 . . . . 34 GLU N . 19025 1 40 . 1 1 17 17 VAL C C 13 176.18 0.08 . 1 . . . . 35 VAL C . 19025 1 41 . 1 1 17 17 VAL CA C 13 63.16 0.15 . 1 . . . . 35 VAL CA . 19025 1 42 . 1 1 17 17 VAL CB C 13 32.06 0.28 . 1 . . . . 35 VAL CB . 19025 1 43 . 1 1 17 17 VAL CG1 C 13 22.18 0.06 . 2 . . . . 35 VAL CG1 . 19025 1 44 . 1 1 17 17 VAL CG2 C 13 21.14 0.18 . 2 . . . . 35 VAL CG2 . 19025 1 45 . 1 1 17 17 VAL N N 15 124.99 0.15 . 1 . . . . 35 VAL N . 19025 1 46 . 1 1 18 18 ILE C C 13 178.30 0.18 . 1 . . . . 36 ILE C . 19025 1 47 . 1 1 18 18 ILE CA C 13 64.23 0.13 . 1 . . . . 36 ILE CA . 19025 1 48 . 1 1 18 18 ILE CB C 13 38.38 0.07 . 1 . . . . 36 ILE CB . 19025 1 49 . 1 1 18 18 ILE CG1 C 13 29.15 0.07 . 1 . . . . 36 ILE CG1 . 19025 1 50 . 1 1 18 18 ILE CG2 C 13 17.12 0.05 . 1 . . . . 36 ILE CG2 . 19025 1 51 . 1 1 18 18 ILE CD1 C 13 14.11 0.14 . 1 . . . . 36 ILE CD1 . 19025 1 52 . 1 1 18 18 ILE N N 15 132.31 0.19 . 1 . . . . 36 ILE N . 19025 1 53 . 1 1 19 19 GLY C C 13 174.61 0.20 . 1 . . . . 37 GLY C . 19025 1 54 . 1 1 19 19 GLY CA C 13 45.66 0.21 . 1 . . . . 37 GLY CA . 19025 1 55 . 1 1 19 19 GLY N N 15 117.58 0.21 . 1 . . . . 37 GLY N . 19025 1 56 . 1 1 20 20 LYS C C 13 177.59 0.01 . 1 . . . . 38 LYS C . 19025 1 57 . 1 1 20 20 LYS CA C 13 55.80 0.30 . 1 . . . . 38 LYS CA . 19025 1 58 . 1 1 20 20 LYS CB C 13 34.73 0.14 . 1 . . . . 38 LYS CB . 19025 1 59 . 1 1 20 20 LYS N N 15 116.97 0.09 . 1 . . . . 38 LYS N . 19025 1 60 . 1 1 21 21 GLY C C 13 173.86 0.16 . 1 . . . . 39 GLY C . 19025 1 61 . 1 1 21 21 GLY CA C 13 45.82 0.09 . 1 . . . . 39 GLY CA . 19025 1 62 . 1 1 21 21 GLY N N 15 105.71 0.01 . 1 . . . . 39 GLY N . 19025 1 63 . 1 1 22 22 HIS C C 13 175.51 0.10 . 1 . . . . 40 HIS C . 19025 1 64 . 1 1 22 22 HIS CA C 13 55.26 0.08 . 1 . . . . 40 HIS CA . 19025 1 65 . 1 1 22 22 HIS CB C 13 32.21 0.15 . 1 . . . . 40 HIS CB . 19025 1 66 . 1 1 22 22 HIS CG C 13 136.07 0.10 . 1 . . . . 40 HIS CG . 19025 1 67 . 1 1 22 22 HIS N N 15 116.73 0.07 . 1 . . . . 40 HIS N . 19025 1 68 . 1 1 23 23 ARG C C 13 177.59 0.01 . 1 . . . . 41 ARG C . 19025 1 69 . 1 1 23 23 ARG CA C 13 55.23 0.10 . 1 . . . . 41 ARG CA . 19025 1 70 . 1 1 23 23 ARG CB C 13 32.60 0.14 . 1 . . . . 41 ARG CB . 19025 1 71 . 1 1 23 23 ARG CG C 13 28.66 0.10 . 1 . . . . 41 ARG CG . 19025 1 72 . 1 1 23 23 ARG N N 15 122.83 0.05 . 1 . . . . 41 ARG N . 19025 1 73 . 1 1 24 24 GLY C C 13 171.07 0.16 . 1 . . . . 42 GLY C . 19025 1 74 . 1 1 24 24 GLY CA C 13 47.25 0.09 . 1 . . . . 42 GLY CA . 19025 1 75 . 1 1 24 24 GLY N N 15 107.51 0.04 . 1 . . . . 42 GLY N . 19025 1 76 . 1 1 25 25 THR C C 13 174.66 0.06 . 1 . . . . 43 THR C . 19025 1 77 . 1 1 25 25 THR CA C 13 60.65 0.16 . 1 . . . . 43 THR CA . 19025 1 78 . 1 1 25 25 THR CB C 13 71.40 0.02 . 1 . . . . 43 THR CB . 19025 1 79 . 1 1 25 25 THR CG2 C 13 22.96 0.18 . 1 . . . . 43 THR CG2 . 19025 1 80 . 1 1 25 25 THR N N 15 116.95 0.21 . 1 . . . . 43 THR N . 19025 1 81 . 1 1 26 26 VAL C C 13 176.01 0.09 . 1 . . . . 44 VAL C . 19025 1 82 . 1 1 26 26 VAL CA C 13 65.22 0.04 . 1 . . . . 44 VAL CA . 19025 1 83 . 1 1 26 26 VAL CB C 13 31.67 0.03 . 1 . . . . 44 VAL CB . 19025 1 84 . 1 1 26 26 VAL CG1 C 13 24.24 0.08 . 2 . . . . 44 VAL CG1 . 19025 1 85 . 1 1 26 26 VAL CG2 C 13 23.16 0.15 . 2 . . . . 44 VAL CG2 . 19025 1 86 . 1 1 26 26 VAL N N 15 127.88 0.14 . 1 . . . . 44 VAL N . 19025 1 87 . 1 1 27 27 ALA C C 13 176.28 0.15 . 1 . . . . 45 ALA C . 19025 1 88 . 1 1 27 27 ALA CA C 13 51.69 0.09 . 1 . . . . 45 ALA CA . 19025 1 89 . 1 1 27 27 ALA CB C 13 22.01 0.05 . 1 . . . . 45 ALA CB . 19025 1 90 . 1 1 27 27 ALA N N 15 131.89 0.06 . 1 . . . . 45 ALA N . 19025 1 91 . 1 1 28 28 TYR C C 13 173.21 0.06 . 1 . . . . 46 TYR C . 19025 1 92 . 1 1 28 28 TYR CA C 13 58.72 0.03 . 1 . . . . 46 TYR CA . 19025 1 93 . 1 1 28 28 TYR CB C 13 43.41 0.03 . 1 . . . . 46 TYR CB . 19025 1 94 . 1 1 28 28 TYR CG C 13 128.65 0.10 . 1 . . . . 46 TYR CG . 19025 1 95 . 1 1 28 28 TYR CD1 C 13 132.25 0.10 . 1 . . . . 46 TYR CD1 . 19025 1 96 . 1 1 28 28 TYR CD2 C 13 135.11 0.10 . 1 . . . . 46 TYR CD2 . 19025 1 97 . 1 1 28 28 TYR N N 15 120.22 0.07 . 1 . . . . 46 TYR N . 19025 1 98 . 1 1 29 29 VAL C C 13 174.75 0.02 . 1 . . . . 47 VAL C . 19025 1 99 . 1 1 29 29 VAL CA C 13 61.82 0.02 . 1 . . . . 47 VAL CA . 19025 1 100 . 1 1 29 29 VAL CB C 13 35.54 0.01 . 1 . . . . 47 VAL CB . 19025 1 101 . 1 1 29 29 VAL CG1 C 13 21.72 0.01 . 2 . . . . 47 VAL CG1 . 19025 1 102 . 1 1 29 29 VAL N N 15 128.29 0.08 . 1 . . . . 47 VAL N . 19025 1 103 . 1 1 30 30 GLY C C 13 172.10 0.02 . 1 . . . . 48 GLY C . 19025 1 104 . 1 1 30 30 GLY CA C 13 45.39 0.02 . 1 . . . . 48 GLY CA . 19025 1 105 . 1 1 30 30 GLY N N 15 113.20 0.11 . 1 . . . . 48 GLY N . 19025 1 106 . 1 1 31 31 ALA C C 13 178.70 0.13 . 1 . . . . 49 ALA C . 19025 1 107 . 1 1 31 31 ALA CA C 13 51.84 0.05 . 1 . . . . 49 ALA CA . 19025 1 108 . 1 1 31 31 ALA CB C 13 20.53 0.04 . 1 . . . . 49 ALA CB . 19025 1 109 . 1 1 31 31 ALA N N 15 123.77 0.05 . 1 . . . . 49 ALA N . 19025 1 110 . 1 1 32 32 THR C C 13 173.50 0.08 . 1 . . . . 50 THR C . 19025 1 111 . 1 1 32 32 THR CA C 13 59.60 0.03 . 1 . . . . 50 THR CA . 19025 1 112 . 1 1 32 32 THR CB C 13 72.52 0.09 . 1 . . . . 50 THR CB . 19025 1 113 . 1 1 32 32 THR CG2 C 13 22.23 0.12 . 1 . . . . 50 THR CG2 . 19025 1 114 . 1 1 32 32 THR N N 15 112.42 0.06 . 1 . . . . 50 THR N . 19025 1 115 . 1 1 33 33 LEU C C 13 177.80 0.09 . 1 . . . . 51 LEU C . 19025 1 116 . 1 1 33 33 LEU CA C 13 54.73 0.17 . 1 . . . . 51 LEU CA . 19025 1 117 . 1 1 33 33 LEU CB C 13 41.83 0.30 . 1 . . . . 51 LEU CB . 19025 1 118 . 1 1 33 33 LEU CG C 13 27.62 0.01 . 1 . . . . 51 LEU CG . 19025 1 119 . 1 1 33 33 LEU N N 15 113.03 0.16 . 1 . . . . 51 LEU N . 19025 1 120 . 1 1 34 34 PHE C C 13 174.56 0.14 . 1 . . . . 52 PHE C . 19025 1 121 . 1 1 34 34 PHE CA C 13 56.37 0.19 . 1 . . . . 52 PHE CA . 19025 1 122 . 1 1 34 34 PHE CB C 13 38.73 0.08 . 1 . . . . 52 PHE CB . 19025 1 123 . 1 1 34 34 PHE CG C 13 138.03 0.10 . 1 . . . . 52 PHE CG . 19025 1 124 . 1 1 34 34 PHE CD1 C 13 132.35 0.10 . 1 . . . . 52 PHE CD1 . 19025 1 125 . 1 1 34 34 PHE N N 15 111.44 0.23 . 1 . . . . 52 PHE N . 19025 1 126 . 1 1 35 35 ALA C C 13 176.33 0.04 . 1 . . . . 53 ALA C . 19025 1 127 . 1 1 35 35 ALA CA C 13 52.14 0.08 . 1 . . . . 53 ALA CA . 19025 1 128 . 1 1 35 35 ALA CB C 13 22.59 0.06 . 1 . . . . 53 ALA CB . 19025 1 129 . 1 1 35 35 ALA N N 15 123.08 0.02 . 1 . . . . 53 ALA N . 19025 1 130 . 1 1 36 36 THR C C 13 176.64 0.06 . 1 . . . . 54 THR C . 19025 1 131 . 1 1 36 36 THR CA C 13 62.18 0.05 . 1 . . . . 54 THR CA . 19025 1 132 . 1 1 36 36 THR CB C 13 71.07 0.04 . 1 . . . . 54 THR CB . 19025 1 133 . 1 1 36 36 THR CG2 C 13 22.31 0.05 . 1 . . . . 54 THR CG2 . 19025 1 134 . 1 1 36 36 THR N N 15 110.25 0.09 . 1 . . . . 54 THR N . 19025 1 135 . 1 1 37 37 GLY C C 13 172.50 0.04 . 1 . . . . 55 GLY C . 19025 1 136 . 1 1 37 37 GLY CA C 13 45.33 0.15 . 1 . . . . 55 GLY CA . 19025 1 137 . 1 1 37 37 GLY N N 15 109.16 0.05 . 1 . . . . 55 GLY N . 19025 1 138 . 1 1 38 38 LYS C C 13 176.60 0.12 . 1 . . . . 56 LYS C . 19025 1 139 . 1 1 38 38 LYS CA C 13 57.03 0.04 . 1 . . . . 56 LYS CA . 19025 1 140 . 1 1 38 38 LYS CB C 13 33.73 0.10 . 1 . . . . 56 LYS CB . 19025 1 141 . 1 1 38 38 LYS CG C 13 25.53 0.09 . 1 . . . . 56 LYS CG . 19025 1 142 . 1 1 38 38 LYS N N 15 121.46 0.09 . 1 . . . . 56 LYS N . 19025 1 143 . 1 1 39 39 TRP C C 13 173.96 0.03 . 1 . . . . 57 TRP C . 19025 1 144 . 1 1 39 39 TRP CA C 13 56.86 0.06 . 1 . . . . 57 TRP CA . 19025 1 145 . 1 1 39 39 TRP CB C 13 34.23 0.13 . 1 . . . . 57 TRP CB . 19025 1 146 . 1 1 39 39 TRP CG C 13 111.89 0.10 . 1 . . . . 57 TRP CG . 19025 1 147 . 1 1 39 39 TRP CD1 C 13 127.07 0.10 . 1 . . . . 57 TRP CD1 . 19025 1 148 . 1 1 39 39 TRP N N 15 130.11 0.20 . 1 . . . . 57 TRP N . 19025 1 149 . 1 1 40 40 VAL C C 13 176.43 0.06 . 1 . . . . 58 VAL C . 19025 1 150 . 1 1 40 40 VAL CA C 13 61.01 0.05 . 1 . . . . 58 VAL CA . 19025 1 151 . 1 1 40 40 VAL CB C 13 33.41 0.06 . 1 . . . . 58 VAL CB . 19025 1 152 . 1 1 40 40 VAL CG1 C 13 23.75 0.03 . 2 . . . . 58 VAL CG1 . 19025 1 153 . 1 1 40 40 VAL CG2 C 13 20.82 0.05 . 2 . . . . 58 VAL CG2 . 19025 1 154 . 1 1 40 40 VAL N N 15 119.65 0.06 . 1 . . . . 58 VAL N . 19025 1 155 . 1 1 41 41 GLY C C 13 172.33 0.03 . 1 . . . . 59 GLY C . 19025 1 156 . 1 1 41 41 GLY CA C 13 45.88 0.04 . 1 . . . . 59 GLY CA . 19025 1 157 . 1 1 41 41 GLY N N 15 115.70 0.04 . 1 . . . . 59 GLY N . 19025 1 158 . 1 1 42 42 VAL C C 13 173.36 0.04 . 1 . . . . 60 VAL C . 19025 1 159 . 1 1 42 42 VAL CA C 13 60.72 0.03 . 1 . . . . 60 VAL CA . 19025 1 160 . 1 1 42 42 VAL CB C 13 35.12 0.04 . 1 . . . . 60 VAL CB . 19025 1 161 . 1 1 42 42 VAL CG1 C 13 22.69 0.03 . 2 . . . . 60 VAL CG1 . 19025 1 162 . 1 1 42 42 VAL CG2 C 13 21.68 0.01 . 2 . . . . 60 VAL CG2 . 19025 1 163 . 1 1 42 42 VAL N N 15 128.40 0.02 . 1 . . . . 60 VAL N . 19025 1 164 . 1 1 43 43 ILE C C 13 177.79 0.05 . 1 . . . . 61 ILE C . 19025 1 165 . 1 1 43 43 ILE CA C 13 60.63 0.04 . 1 . . . . 61 ILE CA . 19025 1 166 . 1 1 43 43 ILE CB C 13 38.88 0.04 . 1 . . . . 61 ILE CB . 19025 1 167 . 1 1 43 43 ILE CG1 C 13 28.36 0.02 . 1 . . . . 61 ILE CG1 . 19025 1 168 . 1 1 43 43 ILE CG2 C 13 17.95 0.04 . 1 . . . . 61 ILE CG2 . 19025 1 169 . 1 1 43 43 ILE CD1 C 13 14.77 0.06 . 1 . . . . 61 ILE CD1 . 19025 1 170 . 1 1 43 43 ILE N N 15 124.69 0.04 . 1 . . . . 61 ILE N . 19025 1 171 . 1 1 44 44 LEU C C 13 177.92 0.03 . 1 . . . . 62 LEU C . 19025 1 172 . 1 1 44 44 LEU CA C 13 55.61 0.20 . 1 . . . . 62 LEU CA . 19025 1 173 . 1 1 44 44 LEU CB C 13 41.67 0.06 . 1 . . . . 62 LEU CB . 19025 1 174 . 1 1 44 44 LEU CG C 13 26.93 0.03 . 1 . . . . 62 LEU CG . 19025 1 175 . 1 1 44 44 LEU CD1 C 13 22.39 0.06 . 2 . . . . 62 LEU CD1 . 19025 1 176 . 1 1 44 44 LEU N N 15 133.06 0.04 . 1 . . . . 62 LEU N . 19025 1 177 . 1 1 45 45 ASP C C 13 177.87 0.09 . 1 . . . . 63 ASP C . 19025 1 178 . 1 1 45 45 ASP CA C 13 57.44 0.09 . 1 . . . . 63 ASP CA . 19025 1 179 . 1 1 45 45 ASP CB C 13 40.08 0.05 . 1 . . . . 63 ASP CB . 19025 1 180 . 1 1 45 45 ASP CG C 13 180.07 0.06 . 1 . . . . 63 ASP CG . 19025 1 181 . 1 1 45 45 ASP N N 15 125.11 0.03 . 1 . . . . 63 ASP N . 19025 1 182 . 1 1 46 46 GLU C C 13 176.81 0.09 . 1 . . . . 64 GLU C . 19025 1 183 . 1 1 46 46 GLU CA C 13 54.38 0.17 . 1 . . . . 64 GLU CA . 19025 1 184 . 1 1 46 46 GLU CB C 13 32.96 0.22 . 1 . . . . 64 GLU CB . 19025 1 185 . 1 1 46 46 GLU CG C 13 37.16 0.18 . 1 . . . . 64 GLU CG . 19025 1 186 . 1 1 46 46 GLU CD C 13 179.98 0.10 . 1 . . . . 64 GLU CD . 19025 1 187 . 1 1 46 46 GLU N N 15 118.09 0.17 . 1 . . . . 64 GLU N . 19025 1 188 . 1 1 47 47 ALA C C 13 178.01 0.11 . 1 . . . . 65 ALA C . 19025 1 189 . 1 1 47 47 ALA CA C 13 51.11 0.06 . 1 . . . . 65 ALA CA . 19025 1 190 . 1 1 47 47 ALA CB C 13 15.75 0.04 . 1 . . . . 65 ALA CB . 19025 1 191 . 1 1 47 47 ALA N N 15 125.05 0.10 . 1 . . . . 65 ALA N . 19025 1 192 . 1 1 48 48 LYS C C 13 176.33 0.06 . 1 . . . . 66 LYS C . 19025 1 193 . 1 1 48 48 LYS CA C 13 53.79 0.22 . 1 . . . . 66 LYS CA . 19025 1 194 . 1 1 48 48 LYS CB C 13 33.38 0.09 . 1 . . . . 66 LYS CB . 19025 1 195 . 1 1 48 48 LYS CG C 13 25.47 0.18 . 1 . . . . 66 LYS CG . 19025 1 196 . 1 1 48 48 LYS N N 15 122.67 0.03 . 1 . . . . 66 LYS N . 19025 1 197 . 1 1 49 49 GLY C C 13 172.93 0.09 . 1 . . . . 67 GLY C . 19025 1 198 . 1 1 49 49 GLY CA C 13 44.41 0.08 . 1 . . . . 67 GLY CA . 19025 1 199 . 1 1 49 49 GLY N N 15 109.20 0.03 . 1 . . . . 67 GLY N . 19025 1 200 . 1 1 50 50 LYS C C 13 175.84 0.14 . 1 . . . . 68 LYS C . 19025 1 201 . 1 1 50 50 LYS CA C 13 56.19 0.04 . 1 . . . . 68 LYS CA . 19025 1 202 . 1 1 50 50 LYS CB C 13 37.24 0.17 . 1 . . . . 68 LYS CB . 19025 1 203 . 1 1 50 50 LYS CG C 13 25.34 0.15 . 1 . . . . 68 LYS CG . 19025 1 204 . 1 1 50 50 LYS CD C 13 29.10 0.12 . 1 . . . . 68 LYS CD . 19025 1 205 . 1 1 50 50 LYS CE C 13 42.46 0.10 . 1 . . . . 68 LYS CE . 19025 1 206 . 1 1 50 50 LYS N N 15 116.29 0.13 . 1 . . . . 68 LYS N . 19025 1 207 . 1 1 51 51 ASN C C 13 173.42 0.13 . 1 . . . . 69 ASN C . 19025 1 208 . 1 1 51 51 ASN CA C 13 53.43 0.12 . 1 . . . . 69 ASN CA . 19025 1 209 . 1 1 51 51 ASN CB C 13 40.82 0.12 . 1 . . . . 69 ASN CB . 19025 1 210 . 1 1 51 51 ASN N N 15 117.30 0.20 . 1 . . . . 69 ASN N . 19025 1 211 . 1 1 52 52 ASP C C 13 178.13 0.03 . 1 . . . . 70 ASP C . 19025 1 212 . 1 1 52 52 ASP CA C 13 53.13 0.06 . 1 . . . . 70 ASP CA . 19025 1 213 . 1 1 52 52 ASP CB C 13 41.00 0.15 . 1 . . . . 70 ASP CB . 19025 1 214 . 1 1 52 52 ASP CG C 13 182.03 0.02 . 1 . . . . 70 ASP CG . 19025 1 215 . 1 1 52 52 ASP N N 15 119.00 0.02 . 1 . . . . 70 ASP N . 19025 1 216 . 1 1 53 53 GLY C C 13 174.38 0.30 . 1 . . . . 71 GLY C . 19025 1 217 . 1 1 53 53 GLY CA C 13 43.47 0.13 . 1 . . . . 71 GLY CA . 19025 1 218 . 1 1 53 53 GLY N N 15 110.99 0.21 . 1 . . . . 71 GLY N . 19025 1 219 . 1 1 54 54 THR C C 13 174.69 0.02 . 1 . . . . 72 THR C . 19025 1 220 . 1 1 54 54 THR CA C 13 61.61 0.09 . 1 . . . . 72 THR CA . 19025 1 221 . 1 1 54 54 THR CB C 13 69.35 0.11 . 1 . . . . 72 THR CB . 19025 1 222 . 1 1 54 54 THR CG2 C 13 20.22 0.09 . 1 . . . . 72 THR CG2 . 19025 1 223 . 1 1 54 54 THR N N 15 118.00 0.12 . 1 . . . . 72 THR N . 19025 1 224 . 1 1 55 55 VAL C C 13 176.84 0.03 . 1 . . . . 73 VAL C . 19025 1 225 . 1 1 55 55 VAL CA C 13 61.71 0.05 . 1 . . . . 73 VAL CA . 19025 1 226 . 1 1 55 55 VAL CB C 13 36.43 0.07 . 1 . . . . 73 VAL CB . 19025 1 227 . 1 1 55 55 VAL CG1 C 13 22.20 0.16 . 2 . . . . 73 VAL CG1 . 19025 1 228 . 1 1 55 55 VAL CG2 C 13 21.52 0.05 . 2 . . . . 73 VAL CG2 . 19025 1 229 . 1 1 55 55 VAL N N 15 123.29 0.17 . 1 . . . . 73 VAL N . 19025 1 230 . 1 1 56 56 GLN C C 13 176.11 0.07 . 1 . . . . 74 GLN C . 19025 1 231 . 1 1 56 56 GLN CA C 13 56.88 0.06 . 1 . . . . 74 GLN CA . 19025 1 232 . 1 1 56 56 GLN CB C 13 26.98 0.04 . 1 . . . . 74 GLN CB . 19025 1 233 . 1 1 56 56 GLN CG C 13 34.39 0.25 . 1 . . . . 74 GLN CG . 19025 1 234 . 1 1 56 56 GLN CD C 13 176.31 0.10 . 1 . . . . 74 GLN CD . 19025 1 235 . 1 1 56 56 GLN N N 15 130.21 0.11 . 1 . . . . 74 GLN N . 19025 1 236 . 1 1 57 57 GLY C C 13 173.01 0.20 . 1 . . . . 75 GLY C . 19025 1 237 . 1 1 57 57 GLY CA C 13 45.72 0.06 . 1 . . . . 75 GLY CA . 19025 1 238 . 1 1 57 57 GLY N N 15 103.65 0.10 . 1 . . . . 75 GLY N . 19025 1 239 . 1 1 58 58 ARG C C 13 172.85 0.10 . 1 . . . . 76 ARG C . 19025 1 240 . 1 1 58 58 ARG CA C 13 53.84 0.19 . 1 . . . . 76 ARG CA . 19025 1 241 . 1 1 58 58 ARG CB C 13 30.63 0.10 . 1 . . . . 76 ARG CB . 19025 1 242 . 1 1 58 58 ARG N N 15 122.07 0.12 . 1 . . . . 76 ARG N . 19025 1 243 . 1 1 59 59 LYS C C 13 176.04 0.12 . 1 . . . . 77 LYS C . 19025 1 244 . 1 1 59 59 LYS CA C 13 56.55 0.04 . 1 . . . . 77 LYS CA . 19025 1 245 . 1 1 59 59 LYS CB C 13 32.72 0.11 . 1 . . . . 77 LYS CB . 19025 1 246 . 1 1 59 59 LYS CG C 13 24.45 0.16 . 1 . . . . 77 LYS CG . 19025 1 247 . 1 1 59 59 LYS CD C 13 29.48 0.01 . 1 . . . . 77 LYS CD . 19025 1 248 . 1 1 59 59 LYS N N 15 128.26 0.26 . 1 . . . . 77 LYS N . 19025 1 249 . 1 1 60 60 TYR C C 13 175.16 0.12 . 1 . . . . 78 TYR C . 19025 1 250 . 1 1 60 60 TYR CA C 13 60.53 0.11 . 1 . . . . 78 TYR CA . 19025 1 251 . 1 1 60 60 TYR CB C 13 39.42 0.30 . 1 . . . . 78 TYR CB . 19025 1 252 . 1 1 60 60 TYR N N 15 127.69 0.30 . 1 . . . . 78 TYR N . 19025 1 253 . 1 1 61 61 PHE C C 13 172.50 0.04 . 1 . . . . 79 PHE C . 19025 1 254 . 1 1 61 61 PHE CA C 13 56.04 0.09 . 1 . . . . 79 PHE CA . 19025 1 255 . 1 1 61 61 PHE CB C 13 38.79 0.03 . 1 . . . . 79 PHE CB . 19025 1 256 . 1 1 61 61 PHE N N 15 114.21 0.12 . 1 . . . . 79 PHE N . 19025 1 257 . 1 1 62 62 THR C C 13 172.78 0.07 . 1 . . . . 80 THR C . 19025 1 258 . 1 1 62 62 THR CA C 13 62.82 0.03 . 1 . . . . 80 THR CA . 19025 1 259 . 1 1 62 62 THR CB C 13 71.34 0.03 . 1 . . . . 80 THR CB . 19025 1 260 . 1 1 62 62 THR CG2 C 13 21.53 0.04 . 1 . . . . 80 THR CG2 . 19025 1 261 . 1 1 62 62 THR N N 15 115.34 0.05 . 1 . . . . 80 THR N . 19025 1 262 . 1 1 63 63 CYS C C 13 172.33 0.03 . 1 . . . . 81 CYS C . 19025 1 263 . 1 1 63 63 CYS CA C 13 56.21 0.04 . 1 . . . . 81 CYS CA . 19025 1 264 . 1 1 63 63 CYS CB C 13 32.33 0.06 . 1 . . . . 81 CYS CB . 19025 1 265 . 1 1 63 63 CYS N N 15 120.70 0.03 . 1 . . . . 81 CYS N . 19025 1 266 . 1 1 64 64 ASP C C 13 176.72 0.04 . 1 . . . . 82 ASP C . 19025 1 267 . 1 1 64 64 ASP CA C 13 54.71 0.04 . 1 . . . . 82 ASP CA . 19025 1 268 . 1 1 64 64 ASP CB C 13 41.31 0.03 . 1 . . . . 82 ASP CB . 19025 1 269 . 1 1 64 64 ASP N N 15 118.44 0.05 . 1 . . . . 82 ASP N . 19025 1 270 . 1 1 65 65 GLU C C 13 177.91 0.02 . 1 . . . . 83 GLU C . 19025 1 271 . 1 1 65 65 GLU CA C 13 58.43 0.06 . 1 . . . . 83 GLU CA . 19025 1 272 . 1 1 65 65 GLU CB C 13 29.94 0.06 . 1 . . . . 83 GLU CB . 19025 1 273 . 1 1 65 65 GLU CG C 13 36.05 0.08 . 1 . . . . 83 GLU CG . 19025 1 274 . 1 1 65 65 GLU CD C 13 183.77 0.10 . 1 . . . . 83 GLU CD . 19025 1 275 . 1 1 65 65 GLU N N 15 121.23 0.09 . 1 . . . . 83 GLU N . 19025 1 276 . 1 1 66 66 GLY C C 13 174.55 0.13 . 1 . . . . 84 GLY C . 19025 1 277 . 1 1 66 66 GLY CA C 13 45.51 0.05 . 1 . . . . 84 GLY CA . 19025 1 278 . 1 1 66 66 GLY N N 15 112.19 0.29 . 1 . . . . 84 GLY N . 19025 1 279 . 1 1 67 67 HIS C C 13 174.19 0.08 . 1 . . . . 85 HIS C . 19025 1 280 . 1 1 67 67 HIS CA C 13 56.66 0.06 . 1 . . . . 85 HIS CA . 19025 1 281 . 1 1 67 67 HIS CB C 13 29.48 0.10 . 1 . . . . 85 HIS CB . 19025 1 282 . 1 1 67 67 HIS CG C 13 132.53 0.26 . 1 . . . . 85 HIS CG . 19025 1 283 . 1 1 67 67 HIS N N 15 113.93 0.07 . 1 . . . . 85 HIS N . 19025 1 284 . 1 1 68 68 GLY C C 13 174.58 0.21 . 1 . . . . 86 GLY C . 19025 1 285 . 1 1 68 68 GLY CA C 13 45.66 0.05 . 1 . . . . 86 GLY CA . 19025 1 286 . 1 1 68 68 GLY N N 15 112.30 0.02 . 1 . . . . 86 GLY N . 19025 1 287 . 1 1 69 69 ILE C C 13 172.70 0.10 . 1 . . . . 87 ILE C . 19025 1 288 . 1 1 69 69 ILE CA C 13 60.61 0.06 . 1 . . . . 87 ILE CA . 19025 1 289 . 1 1 69 69 ILE CB C 13 43.82 0.01 . 1 . . . . 87 ILE CB . 19025 1 290 . 1 1 69 69 ILE CG1 C 13 27.21 0.17 . 1 . . . . 87 ILE CG1 . 19025 1 291 . 1 1 69 69 ILE CG2 C 13 19.17 0.10 . 1 . . . . 87 ILE CG2 . 19025 1 292 . 1 1 69 69 ILE CD1 C 13 14.80 0.10 . 1 . . . . 87 ILE CD1 . 19025 1 293 . 1 1 69 69 ILE N N 15 118.46 0.04 . 1 . . . . 87 ILE N . 19025 1 294 . 1 1 70 70 PHE C C 13 175.78 0.09 . 1 . . . . 88 PHE C . 19025 1 295 . 1 1 70 70 PHE CA C 13 58.04 0.09 . 1 . . . . 88 PHE CA . 19025 1 296 . 1 1 70 70 PHE CB C 13 42.31 0.23 . 1 . . . . 88 PHE CB . 19025 1 297 . 1 1 70 70 PHE N N 15 122.47 0.20 . 1 . . . . 88 PHE N . 19025 1 298 . 1 1 71 71 VAL C C 13 175.69 0.04 . 1 . . . . 89 VAL C . 19025 1 299 . 1 1 71 71 VAL CA C 13 59.08 0.05 . 1 . . . . 89 VAL CA . 19025 1 300 . 1 1 71 71 VAL CB C 13 37.05 0.11 . 1 . . . . 89 VAL CB . 19025 1 301 . 1 1 71 71 VAL CG1 C 13 23.66 0.01 . 2 . . . . 89 VAL CG1 . 19025 1 302 . 1 1 71 71 VAL CG2 C 13 19.04 0.05 . 2 . . . . 89 VAL CG2 . 19025 1 303 . 1 1 71 71 VAL N N 15 114.84 0.12 . 1 . . . . 89 VAL N . 19025 1 304 . 1 1 72 72 ARG C C 13 179.07 0.08 . 1 . . . . 90 ARG C . 19025 1 305 . 1 1 72 72 ARG CA C 13 53.42 0.11 . 1 . . . . 90 ARG CA . 19025 1 306 . 1 1 72 72 ARG CB C 13 31.66 0.08 . 1 . . . . 90 ARG CB . 19025 1 307 . 1 1 72 72 ARG CG C 13 25.51 0.02 . 1 . . . . 90 ARG CG . 19025 1 308 . 1 1 72 72 ARG CD C 13 42.25 0.08 . 1 . . . . 90 ARG CD . 19025 1 309 . 1 1 72 72 ARG N N 15 117.65 0.10 . 1 . . . . 90 ARG N . 19025 1 310 . 1 1 73 73 GLN C C 13 176.70 0.07 . 1 . . . . 91 GLN C . 19025 1 311 . 1 1 73 73 GLN CA C 13 59.72 0.07 . 1 . . . . 91 GLN CA . 19025 1 312 . 1 1 73 73 GLN CB C 13 28.07 0.15 . 1 . . . . 91 GLN CB . 19025 1 313 . 1 1 73 73 GLN CG C 13 34.04 0.05 . 1 . . . . 91 GLN CG . 19025 1 314 . 1 1 73 73 GLN CD C 13 179.18 0.13 . 1 . . . . 91 GLN CD . 19025 1 315 . 1 1 73 73 GLN N N 15 122.57 0.10 . 1 . . . . 91 GLN N . 19025 1 316 . 1 1 74 74 SER C C 13 175.94 0.04 . 1 . . . . 92 SER C . 19025 1 317 . 1 1 74 74 SER CA C 13 59.66 0.10 . 1 . . . . 92 SER CA . 19025 1 318 . 1 1 74 74 SER CB C 13 62.87 0.04 . 1 . . . . 92 SER CB . 19025 1 319 . 1 1 74 74 SER N N 15 109.71 0.06 . 1 . . . . 92 SER N . 19025 1 320 . 1 1 75 75 GLN C C 13 176.09 0.27 . 1 . . . . 93 GLN C . 19025 1 321 . 1 1 75 75 GLN CA C 13 56.76 0.15 . 1 . . . . 93 GLN CA . 19025 1 322 . 1 1 75 75 GLN CB C 13 31.42 0.08 . 1 . . . . 93 GLN CB . 19025 1 323 . 1 1 75 75 GLN CG C 13 36.65 0.11 . 1 . . . . 93 GLN CG . 19025 1 324 . 1 1 75 75 GLN N N 15 117.98 0.20 . 1 . . . . 93 GLN N . 19025 1 325 . 1 1 76 76 ILE C C 13 173.85 0.25 . 1 . . . . 94 ILE C . 19025 1 326 . 1 1 76 76 ILE CA C 13 58.43 0.02 . 1 . . . . 94 ILE CA . 19025 1 327 . 1 1 76 76 ILE CB C 13 43.63 0.09 . 1 . . . . 94 ILE CB . 19025 1 328 . 1 1 76 76 ILE CG1 C 13 25.02 0.06 . 1 . . . . 94 ILE CG1 . 19025 1 329 . 1 1 76 76 ILE CG2 C 13 20.18 0.03 . 1 . . . . 94 ILE CG2 . 19025 1 330 . 1 1 76 76 ILE N N 15 112.97 0.25 . 1 . . . . 94 ILE N . 19025 1 331 . 1 1 77 77 GLN C C 13 175.00 0.20 . 1 . . . . 95 GLN C . 19025 1 332 . 1 1 77 77 GLN CA C 13 53.80 0.17 . 1 . . . . 95 GLN CA . 19025 1 333 . 1 1 77 77 GLN CB C 13 33.62 0.10 . 1 . . . . 95 GLN CB . 19025 1 334 . 1 1 77 77 GLN N N 15 118.57 0.10 . 1 . . . . 95 GLN N . 19025 1 335 . 1 1 78 78 VAL C C 13 176.00 0.20 . 1 . . . . 96 VAL C . 19025 1 336 . 1 1 78 78 VAL CA C 13 63.04 0.19 . 1 . . . . 96 VAL CA . 19025 1 337 . 1 1 78 78 VAL CB C 13 32.58 0.35 . 1 . . . . 96 VAL CB . 19025 1 338 . 1 1 78 78 VAL CG1 C 13 21.18 0.20 . 2 . . . . 96 VAL CG1 . 19025 1 339 . 1 1 78 78 VAL N N 15 126.73 0.17 . 1 . . . . 96 VAL N . 19025 1 340 . 1 1 79 79 PHE CA C 13 57.36 0.20 . 1 . . . . 97 PHE CA . 19025 1 341 . 1 1 79 79 PHE CB C 13 40.08 0.10 . 1 . . . . 97 PHE CB . 19025 1 342 . 1 1 79 79 PHE N N 15 124.97 0.18 . 1 . . . . 97 PHE N . 19025 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 19025 _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 'The chemical shifts in this list are almost the same with the list_1, except for the chemical shifts of residue T43, V44 and A45. We found two sets of peaks for these residues, so we report them separately.' _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 DARR' . . . 19025 2 2 '2D NCA' . . . 19025 2 3 '3D NCACX' . . . 19025 2 4 '3D NCOCX' . . . 19025 2 5 '3D CANCX' . . . 19025 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.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 8 8 PRO CG C 13 27.77 0.10 . 1 . . . . 26 PRO CG . 19025 2 2 . 1 1 8 8 PRO CD C 13 50.89 0.10 . 1 . . . . 26 PRO CD . 19025 2 3 . 1 1 9 9 LEU C C 13 175.81 0.10 . 1 . . . . 27 LEU C . 19025 2 4 . 1 1 9 9 LEU CA C 13 55.47 0.10 . 1 . . . . 27 LEU CA . 19025 2 5 . 1 1 9 9 LEU CB C 13 43.51 0.10 . 1 . . . . 27 LEU CB . 19025 2 6 . 1 1 9 9 LEU N N 15 122.69 0.10 . 1 . . . . 27 LEU N . 19025 2 7 . 1 1 10 10 ARG C C 13 175.67 0.10 . 1 . . . . 28 ARG C . 19025 2 8 . 1 1 10 10 ARG CA C 13 54.01 0.09 . 1 . . . . 28 ARG CA . 19025 2 9 . 1 1 10 10 ARG CB C 13 31.22 0.24 . 1 . . . . 28 ARG CB . 19025 2 10 . 1 1 10 10 ARG N N 15 122.39 0.10 . 1 . . . . 28 ARG N . 19025 2 11 . 1 1 11 11 VAL C C 13 177.62 0.04 . 1 . . . . 29 VAL C . 19025 2 12 . 1 1 11 11 VAL CA C 13 66.35 0.08 . 1 . . . . 29 VAL CA . 19025 2 13 . 1 1 11 11 VAL CB C 13 31.16 0.05 . 1 . . . . 29 VAL CB . 19025 2 14 . 1 1 11 11 VAL CG1 C 13 22.95 0.09 . 2 . . . . 29 VAL CG1 . 19025 2 15 . 1 1 11 11 VAL CG2 C 13 21.62 0.01 . 2 . . . . 29 VAL CG2 . 19025 2 16 . 1 1 11 11 VAL N N 15 121.61 0.06 . 1 . . . . 29 VAL N . 19025 2 17 . 1 1 12 12 GLY C C 13 174.61 0.10 . 1 . . . . 30 GLY C . 19025 2 18 . 1 1 12 12 GLY CA C 13 45.23 0.07 . 1 . . . . 30 GLY CA . 19025 2 19 . 1 1 12 12 GLY N N 15 117.22 0.06 . 1 . . . . 30 GLY N . 19025 2 20 . 1 1 13 13 SER C C 13 173.27 0.05 . 1 . . . . 31 SER C . 19025 2 21 . 1 1 13 13 SER CA C 13 61.84 0.07 . 1 . . . . 31 SER CA . 19025 2 22 . 1 1 13 13 SER CB C 13 63.83 0.04 . 1 . . . . 31 SER CB . 19025 2 23 . 1 1 13 13 SER N N 15 119.06 0.01 . 1 . . . . 31 SER N . 19025 2 24 . 1 1 14 14 ARG C C 13 176.27 0.03 . 1 . . . . 32 ARG C . 19025 2 25 . 1 1 14 14 ARG CA C 13 53.17 0.13 . 1 . . . . 32 ARG CA . 19025 2 26 . 1 1 14 14 ARG CB C 13 29.53 0.17 . 1 . . . . 32 ARG CB . 19025 2 27 . 1 1 14 14 ARG CG C 13 28.03 0.10 . 1 . . . . 32 ARG CG . 19025 2 28 . 1 1 14 14 ARG CD C 13 41.27 0.10 . 1 . . . . 32 ARG CD . 19025 2 29 . 1 1 14 14 ARG N N 15 125.45 0.11 . 1 . . . . 32 ARG N . 19025 2 30 . 1 1 15 15 VAL C C 13 174.33 0.11 . 1 . . . . 33 VAL C . 19025 2 31 . 1 1 15 15 VAL CA C 13 58.11 0.05 . 1 . . . . 33 VAL CA . 19025 2 32 . 1 1 15 15 VAL CB C 13 37.80 0.07 . 1 . . . . 33 VAL CB . 19025 2 33 . 1 1 15 15 VAL CG1 C 13 23.18 0.01 . 2 . . . . 33 VAL CG1 . 19025 2 34 . 1 1 15 15 VAL CG2 C 13 18.23 0.03 . 2 . . . . 33 VAL CG2 . 19025 2 35 . 1 1 15 15 VAL N N 15 112.33 0.05 . 1 . . . . 33 VAL N . 19025 2 36 . 1 1 16 16 GLU C C 13 176.09 0.01 . 1 . . . . 34 GLU C . 19025 2 37 . 1 1 16 16 GLU CA C 13 53.82 0.17 . 1 . . . . 34 GLU CA . 19025 2 38 . 1 1 16 16 GLU CB C 13 34.26 0.07 . 1 . . . . 34 GLU CB . 19025 2 39 . 1 1 16 16 GLU N N 15 118.46 0.13 . 1 . . . . 34 GLU N . 19025 2 40 . 1 1 17 17 VAL C C 13 176.18 0.08 . 1 . . . . 35 VAL C . 19025 2 41 . 1 1 17 17 VAL CA C 13 63.16 0.15 . 1 . . . . 35 VAL CA . 19025 2 42 . 1 1 17 17 VAL CB C 13 32.06 0.28 . 1 . . . . 35 VAL CB . 19025 2 43 . 1 1 17 17 VAL CG1 C 13 22.18 0.06 . 2 . . . . 35 VAL CG1 . 19025 2 44 . 1 1 17 17 VAL CG2 C 13 21.14 0.18 . 2 . . . . 35 VAL CG2 . 19025 2 45 . 1 1 17 17 VAL N N 15 124.99 0.15 . 1 . . . . 35 VAL N . 19025 2 46 . 1 1 18 18 ILE C C 13 178.30 0.18 . 1 . . . . 36 ILE C . 19025 2 47 . 1 1 18 18 ILE CA C 13 64.23 0.13 . 1 . . . . 36 ILE CA . 19025 2 48 . 1 1 18 18 ILE CB C 13 38.38 0.07 . 1 . . . . 36 ILE CB . 19025 2 49 . 1 1 18 18 ILE CG1 C 13 29.15 0.07 . 1 . . . . 36 ILE CG1 . 19025 2 50 . 1 1 18 18 ILE CG2 C 13 17.12 0.05 . 1 . . . . 36 ILE CG2 . 19025 2 51 . 1 1 18 18 ILE CD1 C 13 14.11 0.14 . 1 . . . . 36 ILE CD1 . 19025 2 52 . 1 1 18 18 ILE N N 15 132.31 0.19 . 1 . . . . 36 ILE N . 19025 2 53 . 1 1 19 19 GLY C C 13 174.61 0.20 . 1 . . . . 37 GLY C . 19025 2 54 . 1 1 19 19 GLY CA C 13 45.66 0.21 . 1 . . . . 37 GLY CA . 19025 2 55 . 1 1 19 19 GLY N N 15 117.58 0.21 . 1 . . . . 37 GLY N . 19025 2 56 . 1 1 20 20 LYS C C 13 177.59 0.01 . 1 . . . . 38 LYS C . 19025 2 57 . 1 1 20 20 LYS CA C 13 55.80 0.30 . 1 . . . . 38 LYS CA . 19025 2 58 . 1 1 20 20 LYS CB C 13 34.73 0.14 . 1 . . . . 38 LYS CB . 19025 2 59 . 1 1 20 20 LYS N N 15 116.97 0.09 . 1 . . . . 38 LYS N . 19025 2 60 . 1 1 21 21 GLY C C 13 173.86 0.16 . 1 . . . . 39 GLY C . 19025 2 61 . 1 1 21 21 GLY CA C 13 45.82 0.09 . 1 . . . . 39 GLY CA . 19025 2 62 . 1 1 21 21 GLY N N 15 105.71 0.01 . 1 . . . . 39 GLY N . 19025 2 63 . 1 1 22 22 HIS C C 13 175.51 0.10 . 1 . . . . 40 HIS C . 19025 2 64 . 1 1 22 22 HIS CA C 13 55.26 0.08 . 1 . . . . 40 HIS CA . 19025 2 65 . 1 1 22 22 HIS CB C 13 32.21 0.15 . 1 . . . . 40 HIS CB . 19025 2 66 . 1 1 22 22 HIS CG C 13 136.07 0.10 . 1 . . . . 40 HIS CG . 19025 2 67 . 1 1 22 22 HIS N N 15 116.73 0.07 . 1 . . . . 40 HIS N . 19025 2 68 . 1 1 23 23 ARG C C 13 177.59 0.01 . 1 . . . . 41 ARG C . 19025 2 69 . 1 1 23 23 ARG CA C 13 55.23 0.10 . 1 . . . . 41 ARG CA . 19025 2 70 . 1 1 23 23 ARG CB C 13 32.60 0.14 . 1 . . . . 41 ARG CB . 19025 2 71 . 1 1 23 23 ARG CG C 13 28.66 0.10 . 1 . . . . 41 ARG CG . 19025 2 72 . 1 1 23 23 ARG N N 15 122.83 0.05 . 1 . . . . 41 ARG N . 19025 2 73 . 1 1 24 24 GLY C C 13 171.07 0.16 . 1 . . . . 42 GLY C . 19025 2 74 . 1 1 24 24 GLY CA C 13 47.25 0.09 . 1 . . . . 42 GLY CA . 19025 2 75 . 1 1 24 24 GLY N N 15 107.51 0.04 . 1 . . . . 42 GLY N . 19025 2 76 . 1 1 25 25 THR C C 13 174.68 0.04 . 1 . . . . 43 THR C . 19025 2 77 . 1 1 25 25 THR CA C 13 60.99 0.25 . 1 . . . . 43 THR CA . 19025 2 78 . 1 1 25 25 THR CB C 13 72.14 0.14 . 1 . . . . 43 THR CB . 19025 2 79 . 1 1 25 25 THR CG2 C 13 22.47 0.26 . 1 . . . . 43 THR CG2 . 19025 2 80 . 1 1 25 25 THR N N 15 117.30 0.19 . 1 . . . . 43 THR N . 19025 2 81 . 1 1 26 26 VAL C C 13 174.73 0.03 . 1 . . . . 44 VAL C . 19025 2 82 . 1 1 26 26 VAL CA C 13 65.01 0.11 . 1 . . . . 44 VAL CA . 19025 2 83 . 1 1 26 26 VAL CB C 13 31.71 0.04 . 1 . . . . 44 VAL CB . 19025 2 84 . 1 1 26 26 VAL CG1 C 13 24.19 0.09 . 2 . . . . 44 VAL CG1 . 19025 2 85 . 1 1 26 26 VAL CG2 C 13 23.13 0.13 . 2 . . . . 44 VAL CG2 . 19025 2 86 . 1 1 26 26 VAL N N 15 127.56 0.06 . 1 . . . . 44 VAL N . 19025 2 87 . 1 1 27 27 ALA C C 13 176.38 0.14 . 1 . . . . 45 ALA C . 19025 2 88 . 1 1 27 27 ALA CA C 13 51.56 0.09 . 1 . . . . 45 ALA CA . 19025 2 89 . 1 1 27 27 ALA CB C 13 21.97 0.06 . 1 . . . . 45 ALA CB . 19025 2 90 . 1 1 27 27 ALA N N 15 130.60 0.06 . 1 . . . . 45 ALA N . 19025 2 91 . 1 1 28 28 TYR C C 13 173.21 0.06 . 1 . . . . 46 TYR C . 19025 2 92 . 1 1 28 28 TYR CA C 13 58.72 0.03 . 1 . . . . 46 TYR CA . 19025 2 93 . 1 1 28 28 TYR CB C 13 43.41 0.03 . 1 . . . . 46 TYR CB . 19025 2 94 . 1 1 28 28 TYR CG C 13 128.65 0.10 . 1 . . . . 46 TYR CG . 19025 2 95 . 1 1 28 28 TYR CD1 C 13 132.25 0.10 . 1 . . . . 46 TYR CD1 . 19025 2 96 . 1 1 28 28 TYR CD2 C 13 135.11 0.10 . 1 . . . . 46 TYR CD2 . 19025 2 97 . 1 1 28 28 TYR N N 15 120.22 0.07 . 1 . . . . 46 TYR N . 19025 2 98 . 1 1 29 29 VAL C C 13 174.75 0.02 . 1 . . . . 47 VAL C . 19025 2 99 . 1 1 29 29 VAL CA C 13 61.82 0.02 . 1 . . . . 47 VAL CA . 19025 2 100 . 1 1 29 29 VAL CB C 13 35.54 0.01 . 1 . . . . 47 VAL CB . 19025 2 101 . 1 1 29 29 VAL CG1 C 13 21.72 0.01 . 2 . . . . 47 VAL CG1 . 19025 2 102 . 1 1 29 29 VAL N N 15 128.29 0.08 . 1 . . . . 47 VAL N . 19025 2 103 . 1 1 30 30 GLY C C 13 172.10 0.02 . 1 . . . . 48 GLY C . 19025 2 104 . 1 1 30 30 GLY CA C 13 45.39 0.02 . 1 . . . . 48 GLY CA . 19025 2 105 . 1 1 30 30 GLY N N 15 113.20 0.11 . 1 . . . . 48 GLY N . 19025 2 106 . 1 1 31 31 ALA C C 13 178.70 0.13 . 1 . . . . 49 ALA C . 19025 2 107 . 1 1 31 31 ALA CA C 13 51.84 0.05 . 1 . . . . 49 ALA CA . 19025 2 108 . 1 1 31 31 ALA CB C 13 20.53 0.04 . 1 . . . . 49 ALA CB . 19025 2 109 . 1 1 31 31 ALA N N 15 123.77 0.05 . 1 . . . . 49 ALA N . 19025 2 110 . 1 1 32 32 THR C C 13 173.50 0.08 . 1 . . . . 50 THR C . 19025 2 111 . 1 1 32 32 THR CA C 13 59.60 0.03 . 1 . . . . 50 THR CA . 19025 2 112 . 1 1 32 32 THR CB C 13 72.52 0.09 . 1 . . . . 50 THR CB . 19025 2 113 . 1 1 32 32 THR CG2 C 13 22.23 0.12 . 1 . . . . 50 THR CG2 . 19025 2 114 . 1 1 32 32 THR N N 15 112.42 0.06 . 1 . . . . 50 THR N . 19025 2 115 . 1 1 33 33 LEU C C 13 177.80 0.09 . 1 . . . . 51 LEU C . 19025 2 116 . 1 1 33 33 LEU CA C 13 54.73 0.17 . 1 . . . . 51 LEU CA . 19025 2 117 . 1 1 33 33 LEU CB C 13 41.83 0.30 . 1 . . . . 51 LEU CB . 19025 2 118 . 1 1 33 33 LEU CG C 13 27.62 0.01 . 1 . . . . 51 LEU CG . 19025 2 119 . 1 1 33 33 LEU N N 15 113.03 0.16 . 1 . . . . 51 LEU N . 19025 2 120 . 1 1 34 34 PHE C C 13 174.56 0.14 . 1 . . . . 52 PHE C . 19025 2 121 . 1 1 34 34 PHE CA C 13 56.37 0.19 . 1 . . . . 52 PHE CA . 19025 2 122 . 1 1 34 34 PHE CB C 13 38.73 0.08 . 1 . . . . 52 PHE CB . 19025 2 123 . 1 1 34 34 PHE CG C 13 138.03 0.10 . 1 . . . . 52 PHE CG . 19025 2 124 . 1 1 34 34 PHE CD1 C 13 132.35 0.10 . 1 . . . . 52 PHE CD1 . 19025 2 125 . 1 1 34 34 PHE N N 15 111.44 0.23 . 1 . . . . 52 PHE N . 19025 2 126 . 1 1 35 35 ALA C C 13 176.33 0.04 . 1 . . . . 53 ALA C . 19025 2 127 . 1 1 35 35 ALA CA C 13 52.14 0.08 . 1 . . . . 53 ALA CA . 19025 2 128 . 1 1 35 35 ALA CB C 13 22.59 0.06 . 1 . . . . 53 ALA CB . 19025 2 129 . 1 1 35 35 ALA N N 15 123.08 0.02 . 1 . . . . 53 ALA N . 19025 2 130 . 1 1 36 36 THR C C 13 176.64 0.06 . 1 . . . . 54 THR C . 19025 2 131 . 1 1 36 36 THR CA C 13 62.18 0.05 . 1 . . . . 54 THR CA . 19025 2 132 . 1 1 36 36 THR CB C 13 71.07 0.04 . 1 . . . . 54 THR CB . 19025 2 133 . 1 1 36 36 THR CG2 C 13 22.31 0.05 . 1 . . . . 54 THR CG2 . 19025 2 134 . 1 1 36 36 THR N N 15 110.25 0.09 . 1 . . . . 54 THR N . 19025 2 135 . 1 1 37 37 GLY C C 13 172.50 0.04 . 1 . . . . 55 GLY C . 19025 2 136 . 1 1 37 37 GLY CA C 13 45.33 0.15 . 1 . . . . 55 GLY CA . 19025 2 137 . 1 1 37 37 GLY N N 15 109.16 0.05 . 1 . . . . 55 GLY N . 19025 2 138 . 1 1 38 38 LYS C C 13 176.60 0.12 . 1 . . . . 56 LYS C . 19025 2 139 . 1 1 38 38 LYS CA C 13 57.03 0.04 . 1 . . . . 56 LYS CA . 19025 2 140 . 1 1 38 38 LYS CB C 13 33.73 0.10 . 1 . . . . 56 LYS CB . 19025 2 141 . 1 1 38 38 LYS CG C 13 25.53 0.09 . 1 . . . . 56 LYS CG . 19025 2 142 . 1 1 38 38 LYS N N 15 121.46 0.09 . 1 . . . . 56 LYS N . 19025 2 143 . 1 1 39 39 TRP C C 13 173.96 0.03 . 1 . . . . 57 TRP C . 19025 2 144 . 1 1 39 39 TRP CA C 13 56.86 0.06 . 1 . . . . 57 TRP CA . 19025 2 145 . 1 1 39 39 TRP CB C 13 34.23 0.13 . 1 . . . . 57 TRP CB . 19025 2 146 . 1 1 39 39 TRP CG C 13 111.89 0.10 . 1 . . . . 57 TRP CG . 19025 2 147 . 1 1 39 39 TRP CD1 C 13 127.07 0.10 . 1 . . . . 57 TRP CD1 . 19025 2 148 . 1 1 39 39 TRP N N 15 130.11 0.20 . 1 . . . . 57 TRP N . 19025 2 149 . 1 1 40 40 VAL C C 13 176.43 0.06 . 1 . . . . 58 VAL C . 19025 2 150 . 1 1 40 40 VAL CA C 13 61.01 0.05 . 1 . . . . 58 VAL CA . 19025 2 151 . 1 1 40 40 VAL CB C 13 33.41 0.06 . 1 . . . . 58 VAL CB . 19025 2 152 . 1 1 40 40 VAL CG1 C 13 23.75 0.03 . 2 . . . . 58 VAL CG1 . 19025 2 153 . 1 1 40 40 VAL CG2 C 13 20.82 0.05 . 2 . . . . 58 VAL CG2 . 19025 2 154 . 1 1 40 40 VAL N N 15 119.65 0.06 . 1 . . . . 58 VAL N . 19025 2 155 . 1 1 41 41 GLY C C 13 172.33 0.03 . 1 . . . . 59 GLY C . 19025 2 156 . 1 1 41 41 GLY CA C 13 45.88 0.04 . 1 . . . . 59 GLY CA . 19025 2 157 . 1 1 41 41 GLY N N 15 115.70 0.04 . 1 . . . . 59 GLY N . 19025 2 158 . 1 1 42 42 VAL C C 13 173.36 0.04 . 1 . . . . 60 VAL C . 19025 2 159 . 1 1 42 42 VAL CA C 13 60.72 0.03 . 1 . . . . 60 VAL CA . 19025 2 160 . 1 1 42 42 VAL CB C 13 35.12 0.04 . 1 . . . . 60 VAL CB . 19025 2 161 . 1 1 42 42 VAL CG1 C 13 22.69 0.03 . 2 . . . . 60 VAL CG1 . 19025 2 162 . 1 1 42 42 VAL CG2 C 13 21.68 0.01 . 2 . . . . 60 VAL CG2 . 19025 2 163 . 1 1 42 42 VAL N N 15 128.40 0.02 . 1 . . . . 60 VAL N . 19025 2 164 . 1 1 43 43 ILE C C 13 177.79 0.05 . 1 . . . . 61 ILE C . 19025 2 165 . 1 1 43 43 ILE CA C 13 60.63 0.04 . 1 . . . . 61 ILE CA . 19025 2 166 . 1 1 43 43 ILE CB C 13 38.88 0.04 . 1 . . . . 61 ILE CB . 19025 2 167 . 1 1 43 43 ILE CG1 C 13 28.36 0.02 . 1 . . . . 61 ILE CG1 . 19025 2 168 . 1 1 43 43 ILE CG2 C 13 17.95 0.04 . 1 . . . . 61 ILE CG2 . 19025 2 169 . 1 1 43 43 ILE CD1 C 13 14.77 0.06 . 1 . . . . 61 ILE CD1 . 19025 2 170 . 1 1 43 43 ILE N N 15 124.69 0.04 . 1 . . . . 61 ILE N . 19025 2 171 . 1 1 44 44 LEU C C 13 177.92 0.03 . 1 . . . . 62 LEU C . 19025 2 172 . 1 1 44 44 LEU CA C 13 55.61 0.20 . 1 . . . . 62 LEU CA . 19025 2 173 . 1 1 44 44 LEU CB C 13 41.67 0.06 . 1 . . . . 62 LEU CB . 19025 2 174 . 1 1 44 44 LEU CG C 13 26.93 0.03 . 1 . . . . 62 LEU CG . 19025 2 175 . 1 1 44 44 LEU CD1 C 13 22.39 0.06 . 2 . . . . 62 LEU CD1 . 19025 2 176 . 1 1 44 44 LEU N N 15 133.06 0.04 . 1 . . . . 62 LEU N . 19025 2 177 . 1 1 45 45 ASP C C 13 177.87 0.09 . 1 . . . . 63 ASP C . 19025 2 178 . 1 1 45 45 ASP CA C 13 57.44 0.09 . 1 . . . . 63 ASP CA . 19025 2 179 . 1 1 45 45 ASP CB C 13 40.08 0.05 . 1 . . . . 63 ASP CB . 19025 2 180 . 1 1 45 45 ASP CG C 13 180.07 0.06 . 1 . . . . 63 ASP CG . 19025 2 181 . 1 1 45 45 ASP N N 15 125.11 0.03 . 1 . . . . 63 ASP N . 19025 2 182 . 1 1 46 46 GLU C C 13 176.81 0.09 . 1 . . . . 64 GLU C . 19025 2 183 . 1 1 46 46 GLU CA C 13 54.38 0.17 . 1 . . . . 64 GLU CA . 19025 2 184 . 1 1 46 46 GLU CB C 13 32.96 0.22 . 1 . . . . 64 GLU CB . 19025 2 185 . 1 1 46 46 GLU CG C 13 37.16 0.18 . 1 . . . . 64 GLU CG . 19025 2 186 . 1 1 46 46 GLU CD C 13 179.98 0.10 . 1 . . . . 64 GLU CD . 19025 2 187 . 1 1 46 46 GLU N N 15 118.09 0.17 . 1 . . . . 64 GLU N . 19025 2 188 . 1 1 47 47 ALA C C 13 178.01 0.11 . 1 . . . . 65 ALA C . 19025 2 189 . 1 1 47 47 ALA CA C 13 51.11 0.06 . 1 . . . . 65 ALA CA . 19025 2 190 . 1 1 47 47 ALA CB C 13 15.75 0.04 . 1 . . . . 65 ALA CB . 19025 2 191 . 1 1 47 47 ALA N N 15 125.05 0.10 . 1 . . . . 65 ALA N . 19025 2 192 . 1 1 48 48 LYS C C 13 176.33 0.06 . 1 . . . . 66 LYS C . 19025 2 193 . 1 1 48 48 LYS CA C 13 53.79 0.22 . 1 . . . . 66 LYS CA . 19025 2 194 . 1 1 48 48 LYS CB C 13 33.38 0.09 . 1 . . . . 66 LYS CB . 19025 2 195 . 1 1 48 48 LYS CG C 13 25.47 0.18 . 1 . . . . 66 LYS CG . 19025 2 196 . 1 1 48 48 LYS N N 15 122.67 0.03 . 1 . . . . 66 LYS N . 19025 2 197 . 1 1 49 49 GLY C C 13 172.93 0.09 . 1 . . . . 67 GLY C . 19025 2 198 . 1 1 49 49 GLY CA C 13 44.41 0.08 . 1 . . . . 67 GLY CA . 19025 2 199 . 1 1 49 49 GLY N N 15 109.20 0.03 . 1 . . . . 67 GLY N . 19025 2 200 . 1 1 50 50 LYS C C 13 175.84 0.14 . 1 . . . . 68 LYS C . 19025 2 201 . 1 1 50 50 LYS CA C 13 56.19 0.04 . 1 . . . . 68 LYS CA . 19025 2 202 . 1 1 50 50 LYS CB C 13 37.24 0.17 . 1 . . . . 68 LYS CB . 19025 2 203 . 1 1 50 50 LYS CG C 13 25.34 0.15 . 1 . . . . 68 LYS CG . 19025 2 204 . 1 1 50 50 LYS CD C 13 29.10 0.12 . 1 . . . . 68 LYS CD . 19025 2 205 . 1 1 50 50 LYS CE C 13 42.46 0.10 . 1 . . . . 68 LYS CE . 19025 2 206 . 1 1 50 50 LYS N N 15 116.29 0.13 . 1 . . . . 68 LYS N . 19025 2 207 . 1 1 51 51 ASN C C 13 173.42 0.13 . 1 . . . . 69 ASN C . 19025 2 208 . 1 1 51 51 ASN CA C 13 53.43 0.12 . 1 . . . . 69 ASN CA . 19025 2 209 . 1 1 51 51 ASN CB C 13 40.82 0.12 . 1 . . . . 69 ASN CB . 19025 2 210 . 1 1 51 51 ASN N N 15 117.30 0.20 . 1 . . . . 69 ASN N . 19025 2 211 . 1 1 52 52 ASP C C 13 178.13 0.03 . 1 . . . . 70 ASP C . 19025 2 212 . 1 1 52 52 ASP CA C 13 53.13 0.06 . 1 . . . . 70 ASP CA . 19025 2 213 . 1 1 52 52 ASP CB C 13 41.00 0.15 . 1 . . . . 70 ASP CB . 19025 2 214 . 1 1 52 52 ASP CG C 13 182.03 0.02 . 1 . . . . 70 ASP CG . 19025 2 215 . 1 1 52 52 ASP N N 15 119.00 0.02 . 1 . . . . 70 ASP N . 19025 2 216 . 1 1 53 53 GLY C C 13 174.38 0.30 . 1 . . . . 71 GLY C . 19025 2 217 . 1 1 53 53 GLY CA C 13 43.47 0.13 . 1 . . . . 71 GLY CA . 19025 2 218 . 1 1 53 53 GLY N N 15 110.99 0.21 . 1 . . . . 71 GLY N . 19025 2 219 . 1 1 54 54 THR C C 13 174.69 0.02 . 1 . . . . 72 THR C . 19025 2 220 . 1 1 54 54 THR CA C 13 61.61 0.09 . 1 . . . . 72 THR CA . 19025 2 221 . 1 1 54 54 THR CB C 13 69.35 0.11 . 1 . . . . 72 THR CB . 19025 2 222 . 1 1 54 54 THR CG2 C 13 20.22 0.09 . 1 . . . . 72 THR CG2 . 19025 2 223 . 1 1 54 54 THR N N 15 118.00 0.12 . 1 . . . . 72 THR N . 19025 2 224 . 1 1 55 55 VAL C C 13 176.84 0.03 . 1 . . . . 73 VAL C . 19025 2 225 . 1 1 55 55 VAL CA C 13 61.71 0.05 . 1 . . . . 73 VAL CA . 19025 2 226 . 1 1 55 55 VAL CB C 13 36.43 0.07 . 1 . . . . 73 VAL CB . 19025 2 227 . 1 1 55 55 VAL CG1 C 13 22.20 0.16 . 2 . . . . 73 VAL CG1 . 19025 2 228 . 1 1 55 55 VAL CG2 C 13 21.52 0.05 . 2 . . . . 73 VAL CG2 . 19025 2 229 . 1 1 55 55 VAL N N 15 123.29 0.17 . 1 . . . . 73 VAL N . 19025 2 230 . 1 1 56 56 GLN C C 13 176.11 0.07 . 1 . . . . 74 GLN C . 19025 2 231 . 1 1 56 56 GLN CA C 13 56.88 0.06 . 1 . . . . 74 GLN CA . 19025 2 232 . 1 1 56 56 GLN CB C 13 26.98 0.04 . 1 . . . . 74 GLN CB . 19025 2 233 . 1 1 56 56 GLN CG C 13 34.39 0.25 . 1 . . . . 74 GLN CG . 19025 2 234 . 1 1 56 56 GLN CD C 13 176.31 0.10 . 1 . . . . 74 GLN CD . 19025 2 235 . 1 1 56 56 GLN N N 15 130.21 0.11 . 1 . . . . 74 GLN N . 19025 2 236 . 1 1 57 57 GLY C C 13 173.01 0.20 . 1 . . . . 75 GLY C . 19025 2 237 . 1 1 57 57 GLY CA C 13 45.72 0.06 . 1 . . . . 75 GLY CA . 19025 2 238 . 1 1 57 57 GLY N N 15 103.65 0.10 . 1 . . . . 75 GLY N . 19025 2 239 . 1 1 58 58 ARG C C 13 172.85 0.10 . 1 . . . . 76 ARG C . 19025 2 240 . 1 1 58 58 ARG CA C 13 53.84 0.19 . 1 . . . . 76 ARG CA . 19025 2 241 . 1 1 58 58 ARG CB C 13 30.63 0.10 . 1 . . . . 76 ARG CB . 19025 2 242 . 1 1 58 58 ARG N N 15 122.07 0.12 . 1 . . . . 76 ARG N . 19025 2 243 . 1 1 59 59 LYS C C 13 176.04 0.12 . 1 . . . . 77 LYS C . 19025 2 244 . 1 1 59 59 LYS CA C 13 56.55 0.04 . 1 . . . . 77 LYS CA . 19025 2 245 . 1 1 59 59 LYS CB C 13 32.72 0.11 . 1 . . . . 77 LYS CB . 19025 2 246 . 1 1 59 59 LYS CG C 13 24.45 0.16 . 1 . . . . 77 LYS CG . 19025 2 247 . 1 1 59 59 LYS CD C 13 29.48 0.01 . 1 . . . . 77 LYS CD . 19025 2 248 . 1 1 59 59 LYS N N 15 128.26 0.26 . 1 . . . . 77 LYS N . 19025 2 249 . 1 1 60 60 TYR C C 13 175.16 0.12 . 1 . . . . 78 TYR C . 19025 2 250 . 1 1 60 60 TYR CA C 13 60.53 0.11 . 1 . . . . 78 TYR CA . 19025 2 251 . 1 1 60 60 TYR CB C 13 39.42 0.30 . 1 . . . . 78 TYR CB . 19025 2 252 . 1 1 60 60 TYR N N 15 127.69 0.30 . 1 . . . . 78 TYR N . 19025 2 253 . 1 1 61 61 PHE C C 13 172.50 0.04 . 1 . . . . 79 PHE C . 19025 2 254 . 1 1 61 61 PHE CA C 13 56.04 0.09 . 1 . . . . 79 PHE CA . 19025 2 255 . 1 1 61 61 PHE CB C 13 38.79 0.03 . 1 . . . . 79 PHE CB . 19025 2 256 . 1 1 61 61 PHE N N 15 114.21 0.12 . 1 . . . . 79 PHE N . 19025 2 257 . 1 1 62 62 THR C C 13 172.78 0.07 . 1 . . . . 80 THR C . 19025 2 258 . 1 1 62 62 THR CA C 13 62.82 0.03 . 1 . . . . 80 THR CA . 19025 2 259 . 1 1 62 62 THR CB C 13 71.34 0.03 . 1 . . . . 80 THR CB . 19025 2 260 . 1 1 62 62 THR CG2 C 13 21.53 0.04 . 1 . . . . 80 THR CG2 . 19025 2 261 . 1 1 62 62 THR N N 15 115.34 0.05 . 1 . . . . 80 THR N . 19025 2 262 . 1 1 63 63 CYS C C 13 172.33 0.03 . 1 . . . . 81 CYS C . 19025 2 263 . 1 1 63 63 CYS CA C 13 56.21 0.04 . 1 . . . . 81 CYS CA . 19025 2 264 . 1 1 63 63 CYS CB C 13 32.33 0.06 . 1 . . . . 81 CYS CB . 19025 2 265 . 1 1 63 63 CYS N N 15 120.70 0.03 . 1 . . . . 81 CYS N . 19025 2 266 . 1 1 64 64 ASP C C 13 176.72 0.04 . 1 . . . . 82 ASP C . 19025 2 267 . 1 1 64 64 ASP CA C 13 54.71 0.04 . 1 . . . . 82 ASP CA . 19025 2 268 . 1 1 64 64 ASP CB C 13 41.31 0.03 . 1 . . . . 82 ASP CB . 19025 2 269 . 1 1 64 64 ASP N N 15 118.44 0.05 . 1 . . . . 82 ASP N . 19025 2 270 . 1 1 65 65 GLU C C 13 177.91 0.02 . 1 . . . . 83 GLU C . 19025 2 271 . 1 1 65 65 GLU CA C 13 58.43 0.06 . 1 . . . . 83 GLU CA . 19025 2 272 . 1 1 65 65 GLU CB C 13 29.94 0.06 . 1 . . . . 83 GLU CB . 19025 2 273 . 1 1 65 65 GLU CG C 13 36.05 0.08 . 1 . . . . 83 GLU CG . 19025 2 274 . 1 1 65 65 GLU CD C 13 183.77 0.10 . 1 . . . . 83 GLU CD . 19025 2 275 . 1 1 65 65 GLU N N 15 121.23 0.09 . 1 . . . . 83 GLU N . 19025 2 276 . 1 1 66 66 GLY C C 13 174.55 0.13 . 1 . . . . 84 GLY C . 19025 2 277 . 1 1 66 66 GLY CA C 13 45.51 0.05 . 1 . . . . 84 GLY CA . 19025 2 278 . 1 1 66 66 GLY N N 15 112.19 0.29 . 1 . . . . 84 GLY N . 19025 2 279 . 1 1 67 67 HIS C C 13 174.19 0.08 . 1 . . . . 85 HIS C . 19025 2 280 . 1 1 67 67 HIS CA C 13 56.66 0.06 . 1 . . . . 85 HIS CA . 19025 2 281 . 1 1 67 67 HIS CB C 13 29.48 0.10 . 1 . . . . 85 HIS CB . 19025 2 282 . 1 1 67 67 HIS CG C 13 132.53 0.26 . 1 . . . . 85 HIS CG . 19025 2 283 . 1 1 67 67 HIS N N 15 113.93 0.07 . 1 . . . . 85 HIS N . 19025 2 284 . 1 1 68 68 GLY C C 13 174.58 0.21 . 1 . . . . 86 GLY C . 19025 2 285 . 1 1 68 68 GLY CA C 13 45.66 0.05 . 1 . . . . 86 GLY CA . 19025 2 286 . 1 1 68 68 GLY N N 15 112.30 0.02 . 1 . . . . 86 GLY N . 19025 2 287 . 1 1 69 69 ILE C C 13 172.70 0.10 . 1 . . . . 87 ILE C . 19025 2 288 . 1 1 69 69 ILE CA C 13 60.61 0.06 . 1 . . . . 87 ILE CA . 19025 2 289 . 1 1 69 69 ILE CB C 13 43.82 0.01 . 1 . . . . 87 ILE CB . 19025 2 290 . 1 1 69 69 ILE CG1 C 13 27.21 0.17 . 1 . . . . 87 ILE CG1 . 19025 2 291 . 1 1 69 69 ILE CG2 C 13 19.17 0.10 . 1 . . . . 87 ILE CG2 . 19025 2 292 . 1 1 69 69 ILE CD1 C 13 14.80 0.10 . 1 . . . . 87 ILE CD1 . 19025 2 293 . 1 1 69 69 ILE N N 15 118.46 0.04 . 1 . . . . 87 ILE N . 19025 2 294 . 1 1 70 70 PHE C C 13 175.78 0.09 . 1 . . . . 88 PHE C . 19025 2 295 . 1 1 70 70 PHE CA C 13 58.04 0.09 . 1 . . . . 88 PHE CA . 19025 2 296 . 1 1 70 70 PHE CB C 13 42.31 0.23 . 1 . . . . 88 PHE CB . 19025 2 297 . 1 1 70 70 PHE N N 15 122.47 0.20 . 1 . . . . 88 PHE N . 19025 2 298 . 1 1 71 71 VAL C C 13 175.69 0.04 . 1 . . . . 89 VAL C . 19025 2 299 . 1 1 71 71 VAL CA C 13 59.08 0.05 . 1 . . . . 89 VAL CA . 19025 2 300 . 1 1 71 71 VAL CB C 13 37.05 0.11 . 1 . . . . 89 VAL CB . 19025 2 301 . 1 1 71 71 VAL CG1 C 13 23.66 0.01 . 2 . . . . 89 VAL CG1 . 19025 2 302 . 1 1 71 71 VAL CG2 C 13 19.04 0.05 . 2 . . . . 89 VAL CG2 . 19025 2 303 . 1 1 71 71 VAL N N 15 114.84 0.12 . 1 . . . . 89 VAL N . 19025 2 304 . 1 1 72 72 ARG C C 13 179.07 0.08 . 1 . . . . 90 ARG C . 19025 2 305 . 1 1 72 72 ARG CA C 13 53.42 0.11 . 1 . . . . 90 ARG CA . 19025 2 306 . 1 1 72 72 ARG CB C 13 31.66 0.08 . 1 . . . . 90 ARG CB . 19025 2 307 . 1 1 72 72 ARG CG C 13 25.51 0.02 . 1 . . . . 90 ARG CG . 19025 2 308 . 1 1 72 72 ARG CD C 13 42.25 0.08 . 1 . . . . 90 ARG CD . 19025 2 309 . 1 1 72 72 ARG N N 15 117.65 0.10 . 1 . . . . 90 ARG N . 19025 2 310 . 1 1 73 73 GLN C C 13 176.70 0.07 . 1 . . . . 91 GLN C . 19025 2 311 . 1 1 73 73 GLN CA C 13 59.72 0.07 . 1 . . . . 91 GLN CA . 19025 2 312 . 1 1 73 73 GLN CB C 13 28.07 0.15 . 1 . . . . 91 GLN CB . 19025 2 313 . 1 1 73 73 GLN CG C 13 34.04 0.05 . 1 . . . . 91 GLN CG . 19025 2 314 . 1 1 73 73 GLN CD C 13 179.18 0.13 . 1 . . . . 91 GLN CD . 19025 2 315 . 1 1 73 73 GLN N N 15 122.57 0.10 . 1 . . . . 91 GLN N . 19025 2 316 . 1 1 74 74 SER C C 13 175.94 0.04 . 1 . . . . 92 SER C . 19025 2 317 . 1 1 74 74 SER CA C 13 59.66 0.10 . 1 . . . . 92 SER CA . 19025 2 318 . 1 1 74 74 SER CB C 13 62.87 0.04 . 1 . . . . 92 SER CB . 19025 2 319 . 1 1 74 74 SER N N 15 109.71 0.06 . 1 . . . . 92 SER N . 19025 2 320 . 1 1 75 75 GLN C C 13 176.09 0.27 . 1 . . . . 93 GLN C . 19025 2 321 . 1 1 75 75 GLN CA C 13 56.76 0.15 . 1 . . . . 93 GLN CA . 19025 2 322 . 1 1 75 75 GLN CB C 13 31.42 0.08 . 1 . . . . 93 GLN CB . 19025 2 323 . 1 1 75 75 GLN CG C 13 36.65 0.11 . 1 . . . . 93 GLN CG . 19025 2 324 . 1 1 75 75 GLN N N 15 117.98 0.20 . 1 . . . . 93 GLN N . 19025 2 325 . 1 1 76 76 ILE C C 13 173.85 0.25 . 1 . . . . 94 ILE C . 19025 2 326 . 1 1 76 76 ILE CA C 13 58.43 0.02 . 1 . . . . 94 ILE CA . 19025 2 327 . 1 1 76 76 ILE CB C 13 43.63 0.09 . 1 . . . . 94 ILE CB . 19025 2 328 . 1 1 76 76 ILE CG1 C 13 25.02 0.06 . 1 . . . . 94 ILE CG1 . 19025 2 329 . 1 1 76 76 ILE CG2 C 13 20.18 0.03 . 1 . . . . 94 ILE CG2 . 19025 2 330 . 1 1 76 76 ILE N N 15 112.97 0.25 . 1 . . . . 94 ILE N . 19025 2 331 . 1 1 77 77 GLN C C 13 175.00 0.20 . 1 . . . . 95 GLN C . 19025 2 332 . 1 1 77 77 GLN CA C 13 53.80 0.17 . 1 . . . . 95 GLN CA . 19025 2 333 . 1 1 77 77 GLN CB C 13 33.62 0.10 . 1 . . . . 95 GLN CB . 19025 2 334 . 1 1 77 77 GLN N N 15 118.57 0.10 . 1 . . . . 95 GLN N . 19025 2 335 . 1 1 78 78 VAL C C 13 176.00 0.20 . 1 . . . . 96 VAL C . 19025 2 336 . 1 1 78 78 VAL CA C 13 63.04 0.19 . 1 . . . . 96 VAL CA . 19025 2 337 . 1 1 78 78 VAL CB C 13 32.58 0.35 . 1 . . . . 96 VAL CB . 19025 2 338 . 1 1 78 78 VAL CG1 C 13 21.18 0.20 . 2 . . . . 96 VAL CG1 . 19025 2 339 . 1 1 78 78 VAL N N 15 126.73 0.17 . 1 . . . . 96 VAL N . 19025 2 340 . 1 1 79 79 PHE CA C 13 57.36 0.20 . 1 . . . . 97 PHE CA . 19025 2 341 . 1 1 79 79 PHE CB C 13 40.08 0.10 . 1 . . . . 97 PHE CB . 19025 2 342 . 1 1 79 79 PHE N N 15 124.97 0.18 . 1 . . . . 97 PHE N . 19025 2 stop_ save_