################################### # 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 20082 _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' . . . 20082 1 2 '2D 1H-13C HSQC' . . . 20082 1 3 '2D 1H-1H TOCSY' . . . 20082 1 4 '2D 1H-1H NOESY' . . . 20082 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 . 1 1 1 1 LYS HA H 1 3.994 0.001 . 1 . . . . . 1 K HA . 20082 1 2 . 1 1 1 1 LYS HB2 H 1 1.866 0.001 . 2 . . . . . 1 K HB2 . 20082 1 3 . 1 1 1 1 LYS HB3 H 1 1.831 0.003 . 2 . . . . . 1 K HB3 . 20082 1 4 . 1 1 1 1 LYS HD2 H 1 1.692 0.001 . 2 . . . . . 1 K HD . 20082 1 5 . 1 1 1 1 LYS HD3 H 1 1.692 0.001 . 2 . . . . . 1 K HD . 20082 1 6 . 1 1 1 1 LYS HE2 H 1 3.012 0.005 . 2 . . . . . 1 K HE . 20082 1 7 . 1 1 1 1 LYS HE3 H 1 3.012 0.005 . 2 . . . . . 1 K HE . 20082 1 8 . 1 1 1 1 LYS HG2 H 1 1.415 0.008 . 2 . . . . . 1 K HG . 20082 1 9 . 1 1 1 1 LYS HG3 H 1 1.415 0.008 . 2 . . . . . 1 K HG . 20082 1 10 . 1 1 1 1 LYS CA C 13 55.726 0.000 . 1 . . . . . 1 K CA . 20082 1 11 . 1 1 1 1 LYS CB C 13 33.105 0.000 . 1 . . . . . 1 K CB . 20082 1 12 . 1 1 1 1 LYS CD C 13 28.781 0.000 . 1 . . . . . 1 K CD . 20082 1 13 . 1 1 1 1 LYS CE C 13 42.101 0.000 . 1 . . . . . 1 K CE . 20082 1 14 . 1 1 1 1 LYS CG C 13 23.815 0.000 . 1 . . . . . 1 K CG . 20082 1 15 . 1 1 2 2 PHE H H 1 8.418 0.001 . 1 . . . . . 2 F HN . 20082 1 16 . 1 1 2 2 PHE HA H 1 4.640 0.004 . 1 . . . . . 2 F HA . 20082 1 17 . 1 1 2 2 PHE HB2 H 1 3.252 0.005 . 2 . . . . . 2 F HB2 . 20082 1 18 . 1 1 2 2 PHE HB3 H 1 3.130 0.004 . 2 . . . . . 2 F HB3 . 20082 1 19 . 1 1 2 2 PHE HD1 H 1 7.359 0.003 . 3 . . . . . 2 F HD . 20082 1 20 . 1 1 2 2 PHE HD2 H 1 7.359 0.003 . 3 . . . . . 2 F HD . 20082 1 21 . 1 1 2 2 PHE HE1 H 1 7.292 0.002 . 3 . . . . . 2 F HE . 20082 1 22 . 1 1 2 2 PHE HE2 H 1 7.292 0.002 . 3 . . . . . 2 F HE . 20082 1 23 . 1 1 2 2 PHE HZ H 1 7.197 0.000 . 1 . . . . . 2 F HZ . 20082 1 24 . 1 1 2 2 PHE CB C 13 39.226 0.055 . 1 . . . . . 2 F CB . 20082 1 25 . 1 1 2 2 PHE CD1 C 13 131.871 0.000 . 3 . . . . . 2 F CD . 20082 1 26 . 1 1 2 2 PHE CD2 C 13 131.871 0.000 . 3 . . . . . 2 F CD . 20082 1 27 . 1 1 2 2 PHE CE1 C 13 130.962 0.000 . 3 . . . . . 2 F CE . 20082 1 28 . 1 1 2 2 PHE CE2 C 13 130.962 0.000 . 3 . . . . . 2 F CE . 20082 1 29 . 1 1 2 2 PHE CZ C 13 131.8 0.000 . 1 . . . . . 2 F CZ . 20082 1 30 . 1 1 2 2 PHE N N 15 121.479 0.000 . 1 . . . . . 2 F N . 20082 1 31 . 1 1 3 3 ARG H H 1 8.077 0.005 . 1 . . . . . 3 R HN . 20082 1 32 . 1 1 3 3 ARG HA H 1 4.288 0.004 . 1 . . . . . 3 R HA . 20082 1 33 . 1 1 3 3 ARG HB2 H 1 1.877 0.003 . 2 . . . . . 3 R HB2 . 20082 1 34 . 1 1 3 3 ARG HB3 H 1 1.799 0.002 . 2 . . . . . 3 R HB3 . 20082 1 35 . 1 1 3 3 ARG HD2 H 1 3.220 0.001 . 2 . . . . . 3 R HD . 20082 1 36 . 1 1 3 3 ARG HD3 H 1 3.220 0.001 . 2 . . . . . 3 R HD . 20082 1 37 . 1 1 3 3 ARG HE H 1 7.095 0.003 . 1 . . . . . 3 R HE . 20082 1 38 . 1 1 3 3 ARG HG2 H 1 1.699 0.004 . 2 . . . . . 3 R HG2 . 20082 1 39 . 1 1 3 3 ARG HG3 H 1 1.641 0.004 . 2 . . . . . 3 R HG3 . 20082 1 40 . 1 1 3 3 ARG HH11 H 1 6.665 0.020 . 5 . . . . . 3 R HH11 . 20082 1 41 . 1 1 3 3 ARG HH21 H 1 6.665 0.020 . 5 . . . . . 3 R HH21 . 20082 1 42 . 1 1 3 3 ARG CA C 13 56.413 0.000 . 1 . . . . . 3 R CA . 20082 1 43 . 1 1 3 3 ARG CB C 13 30.684 0.012 . 1 . . . . . 3 R CB . 20082 1 44 . 1 1 3 3 ARG CD C 13 43.496 0.000 . 1 . . . . . 3 R CD . 20082 1 45 . 1 1 3 3 ARG CG C 13 27.118 0.000 . 1 . . . . . 3 R CG . 20082 1 46 . 1 1 3 3 ARG N N 15 120.477 0.000 . 1 . . . . . 3 R N . 20082 1 47 . 1 1 4 4 ARG H H 1 7.824 0.003 . 1 . . . . . 4 R HN . 20082 1 48 . 1 1 4 4 ARG HA H 1 4.320 0.002 . 1 . . . . . 4 R HA . 20082 1 49 . 1 1 4 4 ARG HB2 H 1 1.888 0.003 . 2 . . . . . 4 R HB2 . 20082 1 50 . 1 1 4 4 ARG HB3 H 1 1.772 0.003 . 2 . . . . . 4 R HB3 . 20082 1 51 . 1 1 4 4 ARG HD2 H 1 3.210 0.002 . 2 . . . . . 4 R HD . 20082 1 52 . 1 1 4 4 ARG HD3 H 1 3.210 0.002 . 2 . . . . . 4 R HD . 20082 1 53 . 1 1 4 4 ARG HE H 1 7.126 0.006 . 1 . . . . . 4 R HE . 20082 1 54 . 1 1 4 4 ARG HG2 H 1 1.655 0.003 . 2 . . . . . 4 R HG . 20082 1 55 . 1 1 4 4 ARG HG3 H 1 1.655 0.003 . 2 . . . . . 4 R HG . 20082 1 56 . 1 1 4 4 ARG HH11 H 1 6.665 0.020 . 5 . . . . . 4 R HH11 . 20082 1 57 . 1 1 4 4 ARG HH21 H 1 6.665 0.020 . 5 . . . . . 4 R HH21 . 20082 1 58 . 1 1 4 4 ARG CA C 13 56.296 0.000 . 1 . . . . . 4 R CA . 20082 1 59 . 1 1 4 4 ARG CB C 13 30.834 0.037 . 1 . . . . . 4 R CB . 20082 1 60 . 1 1 4 4 ARG CD C 13 43.417 0.000 . 1 . . . . . 4 R CD . 20082 1 61 . 1 1 4 4 ARG CG C 13 27.094 0.000 . 1 . . . . . 4 R CG . 20082 1 62 . 1 1 4 4 ARG N N 15 119.690 0.000 . 1 . . . . . 4 R N . 20082 1 63 . 1 1 5 5 GLN H H 1 8.100 0.004 . 1 . . . . . 5 Q HN . 20082 1 64 . 1 1 5 5 GLN HA H 1 4.370 0.003 . 1 . . . . . 5 Q HA . 20082 1 65 . 1 1 5 5 GLN HB2 H 1 2.070 0.001 . 2 . . . . . 5 Q HB2 . 20082 1 66 . 1 1 5 5 GLN HB3 H 1 1.969 0.006 . 2 . . . . . 5 Q HB3 . 20082 1 67 . 1 1 5 5 GLN HE21 H 1 7.463 0.002 . 2 . . . . . 5 Q HE21 . 20082 1 68 . 1 1 5 5 GLN HE22 H 1 6.744 0.005 . 2 . . . . . 5 Q HE22 . 20082 1 69 . 1 1 5 5 GLN HG2 H 1 2.330 0.001 . 2 . . . . . 5 Q HG . 20082 1 70 . 1 1 5 5 GLN HG3 H 1 2.330 0.001 . 2 . . . . . 5 Q HG . 20082 1 71 . 1 1 5 5 GLN CA C 13 55.980 0.000 . 1 . . . . . 5 Q CA . 20082 1 72 . 1 1 5 5 GLN CB C 13 29.723 0.000 . 1 . . . . . 5 Q CB . 20082 1 73 . 1 1 5 5 GLN CG C 13 33.854 0.000 . 1 . . . . . 5 Q CG . 20082 1 74 . 1 1 5 5 GLN N N 15 119.178 0.000 . 1 . . . . . 5 Q N . 20082 1 75 . 1 1 5 5 GLN NE2 N 15 112.224 0.065 . 1 . . . . . 5 Q NE . 20082 1 76 . 1 1 6 6 ARG H H 1 8.098 0.002 . 1 . . . . . 6 R HN . 20082 1 77 . 1 1 6 6 ARG HA H 1 4.627 0.004 . 1 . . . . . 6 R HA . 20082 1 78 . 1 1 6 6 ARG HB2 H 1 1.918 0.006 . 2 . . . . . 6 R HB2 . 20082 1 79 . 1 1 6 6 ARG HB3 H 1 1.790 0.002 . 2 . . . . . 6 R HB3 . 20082 1 80 . 1 1 6 6 ARG HD2 H 1 3.165 0.004 . 2 . . . . . 6 R HD . 20082 1 81 . 1 1 6 6 ARG HD3 H 1 3.165 0.004 . 2 . . . . . 6 R HD . 20082 1 82 . 1 1 6 6 ARG HE H 1 7.246 0.001 . 1 . . . . . 6 R HE . 20082 1 83 . 1 1 6 6 ARG HG2 H 1 1.654 0.002 . 2 . . . . . 6 R HG . 20082 1 84 . 1 1 6 6 ARG HG3 H 1 1.654 0.002 . 2 . . . . . 6 R HG . 20082 1 85 . 1 1 6 6 ARG HH11 H 1 6.710 0.000 . 4 . . . . . 6 R HH11 . 20082 1 86 . 1 1 6 6 ARG HH21 H 1 6.710 0.000 . 4 . . . . . 6 R HH21 . 20082 1 87 . 1 1 6 6 ARG CB C 13 30.840 0.000 . 1 . . . . . 6 R CB . 20082 1 88 . 1 1 6 6 ARG CD C 13 43.544 0.000 . 1 . . . . . 6 R CD . 20082 1 89 . 1 1 6 6 ARG CG C 13 27.094 0.000 . 1 . . . . . 6 R CG . 20082 1 90 . 1 1 7 7 PRO HA H 1 4.414 0.002 . 1 . . . . . 7 P HA . 20082 1 91 . 1 1 7 7 PRO HB2 H 1 2.329 0.002 . 2 . . . . . 7 P HB2 . 20082 1 92 . 1 1 7 7 PRO HB3 H 1 2.013 0.001 . 2 . . . . . 7 P HB3 . 20082 1 93 . 1 1 7 7 PRO HD2 H 1 3.765 0.001 . 2 . . . . . 7 P HD . 20082 1 94 . 1 1 7 7 PRO HD3 H 1 3.765 0.001 . 2 . . . . . 7 P HD . 20082 1 95 . 1 1 7 7 PRO HG2 H 1 2.047 0.004 . 2 . . . . . 7 P HG . 20082 1 96 . 1 1 7 7 PRO HG3 H 1 2.047 0.004 . 2 . . . . . 7 P HG . 20082 1 97 . 1 1 7 7 PRO CA C 13 63.695 0.000 . 1 . . . . . 7 P CA . 20082 1 98 . 1 1 7 7 PRO CB C 13 32.161 0.000 . 1 . . . . . 7 P CB . 20082 1 99 . 1 1 7 7 PRO CD C 13 50.553 0.000 . 1 . . . . . 7 P CD . 20082 1 100 . 1 1 7 7 PRO CG C 13 27.310 0.000 . 1 . . . . . 7 P CG . 20082 1 101 . 1 1 8 8 ARG H H 1 8.126 0.002 . 1 . . . . . 8 R HN . 20082 1 102 . 1 1 8 8 ARG HA H 1 4.337 0.005 . 1 . . . . . 8 R HA . 20082 1 103 . 1 1 8 8 ARG HB2 H 1 1.874 0.002 . 2 . . . . . 8 R HB2 . 20082 1 104 . 1 1 8 8 ARG HB3 H 1 1.794 0.006 . 2 . . . . . 8 R HB3 . 20082 1 105 . 1 1 8 8 ARG HD2 H 1 3.207 0.000 . 2 . . . . . 8 R HD . 20082 1 106 . 1 1 8 8 ARG HD3 H 1 3.207 0.000 . 2 . . . . . 8 R HD . 20082 1 107 . 1 1 8 8 ARG HE H 1 7.144 0.003 . 1 . . . . . 8 R HE . 20082 1 108 . 1 1 8 8 ARG HG2 H 1 1.719 0.003 . 2 . . . . . 8 R HG2 . 20082 1 109 . 1 1 8 8 ARG HG3 H 1 1.642 0.005 . 2 . . . . . 8 R HG3 . 20082 1 110 . 1 1 8 8 ARG HH11 H 1 6.665 0.020 . 5 . . . . . 8 R HH11 . 20082 1 111 . 1 1 8 8 ARG HH21 H 1 6.665 0.020 . 5 . . . . . 8 R HH21 . 20082 1 112 . 1 1 8 8 ARG CA C 13 56.350 0.000 . 1 . . . . . 8 R CA . 20082 1 113 . 1 1 8 8 ARG CB C 13 30.852 0.060 . 1 . . . . . 8 R CB . 20082 1 114 . 1 1 8 8 ARG CD C 13 43.417 0.000 . 1 . . . . . 8 R CD . 20082 1 115 . 1 1 8 8 ARG CG C 13 27.286 0.000 . 1 . . . . . 8 R CG . 20082 1 116 . 1 1 8 8 ARG N N 15 118.077 0.000 . 1 . . . . . 8 R N . 20082 1 117 . 1 1 9 9 LEU H H 1 7.832 0.002 . 1 . . . . . 9 L HN . 20082 1 118 . 1 1 9 9 LEU HA H 1 4.312 0.002 . 1 . . . . . 9 L HA . 20082 1 119 . 1 1 9 9 LEU HB2 H 1 1.690 0.003 . 2 . . . . . 9 L HB . 20082 1 120 . 1 1 9 9 LEU HB3 H 1 1.690 0.003 . 2 . . . . . 9 L HB . 20082 1 121 . 1 1 9 9 LEU HD11 H 1 0.955 0.002 . 2 . . . . . 9 L HD1 . 20082 1 122 . 1 1 9 9 LEU HD12 H 1 0.955 0.002 . 2 . . . . . 9 L HD1 . 20082 1 123 . 1 1 9 9 LEU HD13 H 1 0.955 0.002 . 2 . . . . . 9 L HD1 . 20082 1 124 . 1 1 9 9 LEU HD21 H 1 0.897 0.002 . 2 . . . . . 9 L HD2 . 20082 1 125 . 1 1 9 9 LEU HD22 H 1 0.897 0.002 . 2 . . . . . 9 L HD2 . 20082 1 126 . 1 1 9 9 LEU HD23 H 1 0.897 0.002 . 2 . . . . . 9 L HD2 . 20082 1 127 . 1 1 9 9 LEU HG H 1 1.627 0.006 . 1 . . . . . 9 L HG . 20082 1 128 . 1 1 9 9 LEU CA C 13 55.535 0.000 . 1 . . . . . 9 L CA . 20082 1 129 . 1 1 9 9 LEU CB C 13 42.154 0.000 . 1 . . . . . 9 L CB . 20082 1 130 . 1 1 9 9 LEU CD1 C 13 25.374 0.000 . 2 . . . . . 9 L CD1 . 20082 1 131 . 1 1 9 9 LEU CD2 C 13 23.478 0.000 . 2 . . . . . 9 L CD2 . 20082 1 132 . 1 1 9 9 LEU CG C 13 27.181 0.000 . 1 . . . . . 9 L CG . 20082 1 133 . 1 1 9 9 LEU N N 15 119.690 0.000 . 1 . . . . . 9 L N . 20082 1 134 . 1 1 10 10 SER H H 1 7.946 0.002 . 1 . . . . . 10 S HN . 20082 1 135 . 1 1 10 10 SER HA H 1 4.379 0.002 . 1 . . . . . 10 S HA . 20082 1 136 . 1 1 10 10 SER HB2 H 1 3.853 0.003 . 2 . . . . . 10 S HB2 . 20082 1 137 . 1 1 10 10 SER HB3 H 1 3.805 0.005 . 2 . . . . . 10 S HB3 . 20082 1 138 . 1 1 10 10 SER CA C 13 58.659 0.000 . 1 . . . . . 10 S CA . 20082 1 139 . 1 1 10 10 SER CB C 13 63.838 0.024 . 1 . . . . . 10 S CB . 20082 1 140 . 1 1 10 10 SER N N 15 114.046 0.000 . 1 . . . . . 10 S N . 20082 1 141 . 1 1 11 11 HIS H H 1 8.220 0.004 . 1 . . . . . 11 H HN . 20082 1 142 . 1 1 11 11 HIS HA H 1 4.690 0.009 . 1 . . . . . 11 H HA . 20082 1 143 . 1 1 11 11 HIS HB2 H 1 3.333 0.002 . 2 . . . . . 11 H HB2 . 20082 1 144 . 1 1 11 11 HIS HB3 H 1 3.228 0.004 . 2 . . . . . 11 H HB3 . 20082 1 145 . 1 1 11 11 HIS HD2 H 1 7.327 0.002 . 1 . . . . . 11 H HD2 . 20082 1 146 . 1 1 11 11 HIS HE1 H 1 8.597 0.003 . 1 . . . . . 11 H HE1 . 20082 1 147 . 1 1 11 11 HIS CB C 13 28.589 0.013 . 1 . . . . . 11 H CB . 20082 1 148 . 1 1 11 11 HIS CD2 C 13 120.186 0.000 . 1 . . . . . 11 H CD2 . 20082 1 149 . 1 1 11 11 HIS N N 15 118.960 0.000 . 1 . . . . . 11 H N . 20082 1 150 . 1 1 12 12 LYS H H 1 8.110 0.003 . 1 . . . . . 12 K HN . 20082 1 151 . 1 1 12 12 LYS HA H 1 4.379 0.002 . 1 . . . . . 12 K HA . 20082 1 152 . 1 1 12 12 LYS HB2 H 1 1.871 0.005 . 2 . . . . . 12 K HB2 . 20082 1 153 . 1 1 12 12 LYS HB3 H 1 1.782 0.002 . 2 . . . . . 12 K HB3 . 20082 1 154 . 1 1 12 12 LYS HD2 H 1 1.693 0.000 . 2 . . . . . 12 K HD . 20082 1 155 . 1 1 12 12 LYS HD3 H 1 1.693 0.000 . 2 . . . . . 12 K HD . 20082 1 156 . 1 1 12 12 LYS HE2 H 1 3.013 0.003 . 2 . . . . . 12 K HE . 20082 1 157 . 1 1 12 12 LYS HE3 H 1 3.013 0.003 . 2 . . . . . 12 K HE . 20082 1 158 . 1 1 12 12 LYS HG2 H 1 1.441 0.002 . 2 . . . . . 12 K HG . 20082 1 159 . 1 1 12 12 LYS HG3 H 1 1.441 0.002 . 2 . . . . . 12 K HG . 20082 1 160 . 1 1 12 12 LYS HZ1 H 1 7.417 0.001 . 1 . . . . . 12 K HZ . 20082 1 161 . 1 1 12 12 LYS HZ2 H 1 7.417 0.001 . 1 . . . . . 12 K HZ . 20082 1 162 . 1 1 12 12 LYS HZ3 H 1 7.417 0.001 . 1 . . . . . 12 K HZ . 20082 1 163 . 1 1 12 12 LYS CA C 13 56.166 0.000 . 1 . . . . . 12 K CA . 20082 1 164 . 1 1 12 12 LYS CB C 13 33.030 0.011 . 1 . . . . . 12 K CB . 20082 1 165 . 1 1 12 12 LYS CD C 13 28.781 0.000 . 1 . . . . . 12 K CD . 20082 1 166 . 1 1 12 12 LYS CE C 13 42.101 0.000 . 1 . . . . . 12 K CE . 20082 1 167 . 1 1 12 12 LYS CG C 13 24.494 0.000 . 1 . . . . . 12 K CG . 20082 1 168 . 1 1 12 12 LYS N N 15 120.836 0.000 . 1 . . . . . 12 K N . 20082 1 169 . 1 1 13 13 GLY H H 1 8.059 0.004 . 1 . . . . . 13 G HN . 20082 1 170 . 1 1 13 13 GLY HA2 H 1 4.083 0.003 . 2 . . . . . 13 G HA . 20082 1 171 . 1 1 13 13 GLY HA3 H 1 4.083 0.003 . 2 . . . . . 13 G HA . 20082 1 172 . 1 1 13 13 GLY CA C 13 44.619 0.000 . 1 . . . . . 13 G CA . 20082 1 173 . 1 1 13 13 GLY N N 15 109.254 0.000 . 1 . . . . . 13 G N . 20082 1 174 . 1 1 14 14 PRO HA H 1 4.489 0.003 . 1 . . . . . 14 P HA . 20082 1 175 . 1 1 14 14 PRO HB2 H 1 2.243 0.003 . 2 . . . . . 14 P HB2 . 20082 1 176 . 1 1 14 14 PRO HB3 H 1 1.945 0.004 . 2 . . . . . 14 P HB3 . 20082 1 177 . 1 1 14 14 PRO HD2 H 1 3.623 0.002 . 2 . . . . . 14 P HD . 20082 1 178 . 1 1 14 14 PRO HD3 H 1 3.623 0.002 . 2 . . . . . 14 P HD . 20082 1 179 . 1 1 14 14 PRO HG2 H 1 2.019 0.002 . 2 . . . . . 14 P HG . 20082 1 180 . 1 1 14 14 PRO HG3 H 1 2.019 0.002 . 2 . . . . . 14 P HG . 20082 1 181 . 1 1 14 14 PRO CB C 13 32.196 0.011 . 1 . . . . . 14 P CB . 20082 1 182 . 1 1 14 14 PRO CD C 13 49.548 0.000 . 1 . . . . . 14 P CD . 20082 1 183 . 1 1 14 14 PRO CG C 13 27.156 0.000 . 1 . . . . . 14 P CG . 20082 1 184 . 1 1 15 15 MET H H 1 8.118 0.001 . 1 . . . . . 15 M HN . 20082 1 185 . 1 1 15 15 MET HA H 1 4.642 0.002 . 1 . . . . . 15 M HA . 20082 1 186 . 1 1 15 15 MET HB2 H 1 1.975 0.004 . 2 . . . . . 15 M HB2 . 20082 1 187 . 1 1 15 15 MET HB3 H 1 1.793 0.004 . 2 . . . . . 15 M HB3 . 20082 1 188 . 1 1 15 15 MET HE1 H 1 2.067 0.009 . 1 . . . . . 15 M HE . 20082 1 189 . 1 1 15 15 MET HE2 H 1 2.067 0.009 . 1 . . . . . 15 M HE . 20082 1 190 . 1 1 15 15 MET HE3 H 1 2.067 0.009 . 1 . . . . . 15 M HE . 20082 1 191 . 1 1 15 15 MET HG2 H 1 2.618 0.002 . 2 . . . . . 15 M HG2 . 20082 1 192 . 1 1 15 15 MET HG3 H 1 2.532 0.006 . 2 . . . . . 15 M HG3 . 20082 1 193 . 1 1 15 15 MET CB C 13 32.436 0.011 . 1 . . . . . 15 M CB . 20082 1 194 . 1 1 15 15 MET CE C 13 17.539 0.000 . 1 . . . . . 15 M CE . 20082 1 195 . 1 1 15 15 MET CG C 13 32.579 0.022 . 1 . . . . . 15 M CG . 20082 1 196 . 1 1 15 15 MET N N 15 118.077 0.000 . 1 . . . . . 15 M N . 20082 1 197 . 1 1 16 16 PRO HA H 1 4.463 0.008 . 1 . . . . . 16 P HA . 20082 1 198 . 1 1 16 16 PRO HB2 H 1 2.096 0.004 . 2 . . . . . 16 P HB2 . 20082 1 199 . 1 1 16 16 PRO HB3 H 1 1.681 0.005 . 2 . . . . . 16 P HB3 . 20082 1 200 . 1 1 16 16 PRO HD2 H 1 3.722 0.005 . 2 . . . . . 16 P HD2 . 20082 1 201 . 1 1 16 16 PRO HD3 H 1 3.466 0.003 . 2 . . . . . 16 P HD3 . 20082 1 202 . 1 1 16 16 PRO HG2 H 1 1.928 0.006 . 2 . . . . . 16 P HG . 20082 1 203 . 1 1 16 16 PRO HG3 H 1 1.928 0.006 . 2 . . . . . 16 P HG . 20082 1 204 . 1 1 16 16 PRO CA C 13 63.544 0.000 . 1 . . . . . 16 P CA . 20082 1 205 . 1 1 16 16 PRO CB C 13 31.169 0.000 . 1 . . . . . 16 P CB . 20082 1 206 . 1 1 16 16 PRO CD C 13 50.304 0.012 . 1 . . . . . 16 P CD . 20082 1 207 . 1 1 16 16 PRO CG C 13 26.902 0.000 . 1 . . . . . 16 P CG . 20082 1 208 . 1 1 17 17 PHE H H 1 7.099 0.003 . 1 . . . . . 17 F HN . 20082 1 209 . 1 1 17 17 PHE HA H 1 4.584 0.006 . 1 . . . . . 17 F HA . 20082 1 210 . 1 1 17 17 PHE HB2 H 1 3.204 0.002 . 2 . . . . . 17 F HB2 . 20082 1 211 . 1 1 17 17 PHE HB3 H 1 3.045 0.002 . 2 . . . . . 17 F HB3 . 20082 1 212 . 1 1 17 17 PHE HD1 H 1 7.204 0.005 . 3 . . . . . 17 F HD . 20082 1 213 . 1 1 17 17 PHE HD2 H 1 7.204 0.005 . 3 . . . . . 17 F HD . 20082 1 214 . 1 1 17 17 PHE HE1 H 1 7.286 0.004 . 3 . . . . . 17 F HE . 20082 1 215 . 1 1 17 17 PHE HE2 H 1 7.286 0.004 . 3 . . . . . 17 F HE . 20082 1 216 . 1 1 17 17 PHE HZ H 1 7.341 0.002 . 1 . . . . . 17 F HZ . 20082 1 217 . 1 1 17 17 PHE CB C 13 39.688 0.034 . 1 . . . . . 17 F CB . 20082 1 218 . 1 1 17 17 PHE CD1 C 13 129.288 0.000 . 3 . . . . . 17 F CD . 20082 1 219 . 1 1 17 17 PHE CD2 C 13 129.288 0.000 . 3 . . . . . 17 F CD . 20082 1 220 . 1 1 17 17 PHE CE1 C 13 131 0.000 . 3 . . . . . 17 F CE . 20082 1 221 . 1 1 17 17 PHE CE2 C 13 131 0.000 . 3 . . . . . 17 F CE . 20082 1 222 . 1 1 17 17 PHE CZ C 13 131.8 0.000 . 1 . . . . . 17 F CZ . 20082 1 223 . 1 1 17 17 PHE N N 15 119.902 0.000 . 1 . . . . . 17 F N . 20082 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 40 20082 1 1 41 20082 1 1 56 20082 1 1 57 20082 1 1 110 20082 1 1 111 20082 1 2 85 20082 1 2 86 20082 1 stop_ save_