################################### # 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 27092 _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-13C HSQC' . . . 27092 1 2 '2D 1H-1H NOESY' . . . 27092 1 3 '2D 1H-1H TOCSY' . . . 27092 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 2 2 LYS H H 1 8.214 0.002 . 1 . . . . . 1 LYS H . 27092 1 2 . 1 1 2 2 LYS HA H 1 4.213 0.002 . 1 . . . . . 1 LYS HA . 27092 1 3 . 1 1 2 2 LYS HB2 H 1 1.703 0.006 . 2 . . . . . 1 LYS HB2 . 27092 1 4 . 1 1 2 2 LYS HB3 H 1 1.769 0.001 . 2 . . . . . 1 LYS HB3 . 27092 1 5 . 1 1 2 2 LYS HG2 H 1 1.429 0.000 . 1 . . . . . 1 LYS HG2 . 27092 1 6 . 1 1 2 2 LYS HD2 H 1 1.674 0.000 . 1 . . . . . 1 LYS HD2 . 27092 1 7 . 1 1 2 2 LYS CA C 13 56.778 0.000 . 1 . . . . . 1 LYS CA . 27092 1 8 . 1 1 2 2 LYS CB C 13 33.159 0.000 . 1 . . . . . 1 LYS CB . 27092 1 9 . 1 1 2 2 LYS CD C 13 29.211 0.000 . 1 . . . . . 1 LYS CD . 27092 1 10 . 1 1 3 3 LYS H H 1 8.312 0.001 . 1 . . . . . 2 LYS H . 27092 1 11 . 1 1 3 3 LYS HA H 1 4.273 0.001 . 1 . . . . . 2 LYS HA . 27092 1 12 . 1 1 3 3 LYS HB2 H 1 1.756 0.001 . 2 . . . . . 2 LYS HB2 . 27092 1 13 . 1 1 3 3 LYS HB3 H 1 1.817 0.002 . 2 . . . . . 2 LYS HB3 . 27092 1 14 . 1 1 3 3 LYS HG2 H 1 1.407 0.005 . 1 . . . . . 2 LYS HG2 . 27092 1 15 . 1 1 3 3 LYS HD2 H 1 1.667 0.001 . 1 . . . . . 2 LYS HD2 . 27092 1 16 . 1 1 3 3 LYS HE2 H 1 2.969 0.002 . 1 . . . . . 2 LYS HE2 . 27092 1 17 . 1 1 3 3 LYS CA C 13 56.624 0.000 . 1 . . . . . 2 LYS CA . 27092 1 18 . 1 1 3 3 LYS CB C 13 33.064 0.002 . 1 . . . . . 2 LYS CB . 27092 1 19 . 1 1 3 3 LYS CG C 13 24.957 0.000 . 1 . . . . . 2 LYS CG . 27092 1 20 . 1 1 3 3 LYS CD C 13 29.194 0.000 . 1 . . . . . 2 LYS CD . 27092 1 21 . 1 1 3 3 LYS CE C 13 42.183 0.000 . 1 . . . . . 2 LYS CE . 27092 1 22 . 1 1 4 4 LYS H H 1 8.334 0.003 . 1 . . . . . 3 LYS H . 27092 1 23 . 1 1 4 4 LYS HA H 1 4.198 0.003 . 1 . . . . . 3 LYS HA . 27092 1 24 . 1 1 4 4 LYS HB2 H 1 1.780 0.004 . 1 . . . . . 3 LYS HB2 . 27092 1 25 . 1 1 4 4 LYS HG2 H 1 1.423 0.000 . 1 . . . . . 3 LYS HG2 . 27092 1 26 . 1 1 4 4 LYS HD2 H 1 1.674 0.001 . 1 . . . . . 3 LYS HD2 . 27092 1 27 . 1 1 4 4 LYS HE2 H 1 3.008 0.001 . 1 . . . . . 3 LYS HE2 . 27092 1 28 . 1 1 4 4 LYS CA C 13 57.112 0.000 . 1 . . . . . 3 LYS CA . 27092 1 29 . 1 1 4 4 LYS CB C 13 33.032 0.000 . 1 . . . . . 3 LYS CB . 27092 1 30 . 1 1 4 4 LYS CG C 13 24.932 0.000 . 1 . . . . . 3 LYS CG . 27092 1 31 . 1 1 4 4 LYS CD C 13 29.581 0.000 . 1 . . . . . 3 LYS CD . 27092 1 32 . 1 1 4 4 LYS CE C 13 42.175 0.000 . 1 . . . . . 3 LYS CE . 27092 1 33 . 1 1 5 5 GLU H H 1 8.445 0.001 . 1 . . . . . 4 GLU H . 27092 1 34 . 1 1 5 5 GLU HA H 1 4.194 0.004 . 1 . . . . . 4 GLU HA . 27092 1 35 . 1 1 5 5 GLU HB2 H 1 1.933 0.002 . 2 . . . . . 4 GLU HB2 . 27092 1 36 . 1 1 5 5 GLU HB3 H 1 2.023 0.004 . 2 . . . . . 4 GLU HB3 . 27092 1 37 . 1 1 5 5 GLU HG2 H 1 2.263 0.003 . 1 . . . . . 4 GLU HG2 . 27092 1 38 . 1 1 5 5 GLU CA C 13 56.599 0.000 . 1 . . . . . 4 GLU CA . 27092 1 39 . 1 1 5 5 GLU CB C 13 30.161 0.011 . 1 . . . . . 4 GLU CB . 27092 1 40 . 1 1 5 5 GLU CG C 13 35.994 0.000 . 1 . . . . . 4 GLU CG . 27092 1 41 . 1 1 6 6 ALA H H 1 8.123 0.002 . 1 . . . . . 5 ALA H . 27092 1 42 . 1 1 6 6 ALA HA H 1 4.269 0.002 . 1 . . . . . 5 ALA HA . 27092 1 43 . 1 1 6 6 ALA HB1 H 1 1.364 0.002 . 1 . . . . . 5 ALA HB1 . 27092 1 44 . 1 1 6 6 ALA HB2 H 1 1.364 0.002 . 1 . . . . . 5 ALA HB2 . 27092 1 45 . 1 1 6 6 ALA HB3 H 1 1.364 0.002 . 1 . . . . . 5 ALA HB3 . 27092 1 46 . 1 1 6 6 ALA CA C 13 52.755 0.000 . 1 . . . . . 5 ALA CA . 27092 1 47 . 1 1 6 6 ALA CB C 13 19.450 0.000 . 1 . . . . . 5 ALA CB . 27092 1 48 . 1 1 7 7 LEU H H 1 8.132 0.002 . 1 . . . . . 6 LEU H . 27092 1 49 . 1 1 7 7 LEU HA H 1 4.168 0.002 . 1 . . . . . 6 LEU HA . 27092 1 50 . 1 1 7 7 LEU HB2 H 1 1.567 0.003 . 2 . . . . . 6 LEU HB2 . 27092 1 51 . 1 1 7 7 LEU HB3 H 1 1.519 0.003 . 2 . . . . . 6 LEU HB3 . 27092 1 52 . 1 1 7 7 LEU HD11 H 1 0.860 0.006 . 2 . . . . . 6 LEU HD11 . 27092 1 53 . 1 1 7 7 LEU HD12 H 1 0.860 0.006 . 2 . . . . . 6 LEU HD12 . 27092 1 54 . 1 1 7 7 LEU HD13 H 1 0.860 0.006 . 2 . . . . . 6 LEU HD13 . 27092 1 55 . 1 1 7 7 LEU HD21 H 1 0.790 0.002 . 2 . . . . . 6 LEU HD21 . 27092 1 56 . 1 1 7 7 LEU HD22 H 1 0.790 0.002 . 2 . . . . . 6 LEU HD22 . 27092 1 57 . 1 1 7 7 LEU HD23 H 1 0.790 0.002 . 2 . . . . . 6 LEU HD23 . 27092 1 58 . 1 1 7 7 LEU CA C 13 56.157 0.000 . 1 . . . . . 6 LEU CA . 27092 1 59 . 1 1 7 7 LEU CB C 13 42.187 0.015 . 1 . . . . . 6 LEU CB . 27092 1 60 . 1 1 7 7 LEU CD1 C 13 25.031 0.000 . 2 . . . . . 6 LEU CD1 . 27092 1 61 . 1 1 7 7 LEU CD2 C 13 24.215 0.000 . 2 . . . . . 6 LEU CD2 . 27092 1 62 . 1 1 8 8 PHE H H 1 8.103 0.001 . 1 . . . . . 7 PHE H . 27092 1 63 . 1 1 8 8 PHE HA H 1 4.546 0.001 . 1 . . . . . 7 PHE HA . 27092 1 64 . 1 1 8 8 PHE HB2 H 1 3.074 0.003 . 2 . . . . . 7 PHE HB2 . 27092 1 65 . 1 1 8 8 PHE HB3 H 1 3.143 0.003 . 2 . . . . . 7 PHE HB3 . 27092 1 66 . 1 1 8 8 PHE HD1 H 1 7.220 0.001 . 1 . . . . . 7 PHE HD1 . 27092 1 67 . 1 1 8 8 PHE HD2 H 1 7.220 0.001 . 1 . . . . . 7 PHE HD2 . 27092 1 68 . 1 1 8 8 PHE CA C 13 58.363 0.000 . 1 . . . . . 7 PHE CA . 27092 1 69 . 1 1 8 8 PHE CB C 13 39.606 0.005 . 1 . . . . . 7 PHE CB . 27092 1 70 . 1 1 9 9 VAL H H 1 7.933 0.001 . 1 . . . . . 8 VAL H . 27092 1 71 . 1 1 9 9 VAL HA H 1 3.978 0.001 . 1 . . . . . 8 VAL HA . 27092 1 72 . 1 1 9 9 VAL HB H 1 2.085 0.003 . 1 . . . . . 8 VAL HB . 27092 1 73 . 1 1 9 9 VAL HG11 H 1 0.910 0.008 . 2 . . . . . 8 VAL HG11 . 27092 1 74 . 1 1 9 9 VAL HG12 H 1 0.910 0.008 . 2 . . . . . 8 VAL HG12 . 27092 1 75 . 1 1 9 9 VAL HG13 H 1 0.910 0.008 . 2 . . . . . 8 VAL HG13 . 27092 1 76 . 1 1 9 9 VAL HG21 H 1 0.891 0.001 . 2 . . . . . 8 VAL HG21 . 27092 1 77 . 1 1 9 9 VAL HG22 H 1 0.891 0.001 . 2 . . . . . 8 VAL HG22 . 27092 1 78 . 1 1 9 9 VAL HG23 H 1 0.891 0.001 . 2 . . . . . 8 VAL HG23 . 27092 1 79 . 1 1 9 9 VAL CA C 13 63.050 0.000 . 1 . . . . . 8 VAL CA . 27092 1 80 . 1 1 9 9 VAL CB C 13 32.554 0.000 . 1 . . . . . 8 VAL CB . 27092 1 81 . 1 1 9 9 VAL CG1 C 13 21.024 0.000 . 1 . . . . . 8 VAL CG1 . 27092 1 82 . 1 1 10 10 GLY H H 1 8.063 0.001 . 1 . . . . . 9 GLY H . 27092 1 83 . 1 1 10 10 GLY HA2 H 1 3.813 0.011 . 1 . . . . . 9 GLY HA2 . 27092 1 84 . 1 1 10 10 GLY CA C 13 45.680 0.002 . 1 . . . . . 9 GLY CA . 27092 1 85 . 1 1 11 11 HIS H H 1 8.212 0.003 . 1 . . . . . 10 HIS H . 27092 1 86 . 1 1 11 11 HIS HA H 1 4.689 0.005 . 1 . . . . . 10 HIS HA . 27092 1 87 . 1 1 11 11 HIS HB2 H 1 3.085 0.000 . 2 . . . . . 10 HIS HB2 . 27092 1 88 . 1 1 11 11 HIS HB3 H 1 2.974 0.000 . 2 . . . . . 10 HIS HB3 . 27092 1 89 . 1 1 12 12 PHE H H 1 8.319 0.002 . 1 . . . . . 11 PHE H . 27092 1 90 . 1 1 12 12 PHE HA H 1 4.587 0.003 . 1 . . . . . 11 PHE HA . 27092 1 91 . 1 1 12 12 PHE HB2 H 1 2.986 0.002 . 2 . . . . . 11 PHE HB2 . 27092 1 92 . 1 1 12 12 PHE HB3 H 1 3.217 0.007 . 2 . . . . . 11 PHE HB3 . 27092 1 93 . 1 1 12 12 PHE HD1 H 1 7.223 0.001 . 1 . . . . . 11 PHE HD1 . 27092 1 94 . 1 1 12 12 PHE HD2 H 1 7.223 0.001 . 1 . . . . . 11 PHE HD2 . 27092 1 95 . 1 1 12 12 PHE CA C 13 58.192 0.000 . 1 . . . . . 11 PHE CA . 27092 1 96 . 1 1 12 12 PHE CB C 13 39.803 0.013 . 1 . . . . . 11 PHE CB . 27092 1 97 . 1 1 12 12 PHE CD1 C 13 131.839 0.000 . 1 . . . . . 11 PHE CD1 . 27092 1 98 . 1 1 12 12 PHE CD2 C 13 131.839 0.000 . 1 . . . . . 11 PHE CD2 . 27092 1 99 . 1 1 13 13 GLY H H 1 8.321 0.001 . 1 . . . . . 12 GLY H . 27092 1 100 . 1 1 13 13 GLY HA2 H 1 3.975 0.003 . 1 . . . . . 12 GLY HA2 . 27092 1 101 . 1 1 13 13 GLY CA C 13 45.862 0.000 . 1 . . . . . 12 GLY CA . 27092 1 102 . 1 1 14 14 PRO HA H 1 4.408 0.002 . 1 . . . . . 13 PRO HA . 27092 1 103 . 1 1 14 14 PRO HB2 H 1 1.912 0.003 . 2 . . . . . 13 PRO HB2 . 27092 1 104 . 1 1 14 14 PRO HB3 H 1 2.294 0.002 . 2 . . . . . 13 PRO HB3 . 27092 1 105 . 1 1 14 14 PRO HG2 H 1 2.043 0.003 . 1 . . . . . 13 PRO HG2 . 27092 1 106 . 1 1 14 14 PRO HD2 H 1 3.653 0.004 . 1 . . . . . 13 PRO HD2 . 27092 1 107 . 1 1 14 14 PRO CA C 13 64.500 0.000 . 1 . . . . . 13 PRO CA . 27092 1 108 . 1 1 14 14 PRO CB C 13 32.352 0.066 . 1 . . . . . 13 PRO CB . 27092 1 109 . 1 1 14 14 PRO CG C 13 27.639 0.000 . 1 . . . . . 13 PRO CG . 27092 1 110 . 1 1 14 14 PRO CD C 13 50.187 0.000 . 1 . . . . . 13 PRO CD . 27092 1 111 . 1 1 15 15 ILE H H 1 8.174 0.003 . 1 . . . . . 14 ILE H . 27092 1 112 . 1 1 15 15 ILE HA H 1 3.894 0.004 . 1 . . . . . 14 ILE HA . 27092 1 113 . 1 1 15 15 ILE HB H 1 2.008 0.003 . 1 . . . . . 14 ILE HB . 27092 1 114 . 1 1 15 15 ILE HG12 H 1 1.510 0.001 . 1 . . . . . 14 ILE HG12 . 27092 1 115 . 1 1 15 15 ILE CA C 13 57.870 0.000 . 1 . . . . . 14 ILE CA . 27092 1 116 . 1 1 15 15 ILE CB C 13 37.793 0.000 . 1 . . . . . 14 ILE CB . 27092 1 117 . 1 1 15 15 ILE CG1 C 13 24.948 0.000 . 1 . . . . . 14 ILE CG1 . 27092 1 118 . 1 1 16 16 GLY H H 1 8.221 0.003 . 1 . . . . . 15 GLY H . 27092 1 119 . 1 1 16 16 GLY HA2 H 1 3.900 0.002 . 2 . . . . . 15 GLY HA2 . 27092 1 120 . 1 1 16 16 GLY HA3 H 1 3.765 0.001 . 2 . . . . . 15 GLY HA3 . 27092 1 121 . 1 1 16 16 GLY CA C 13 47.158 0.028 . 1 . . . . . 15 GLY CA . 27092 1 122 . 1 1 17 17 VAL H H 1 7.806 0.003 . 1 . . . . . 16 VAL H . 27092 1 123 . 1 1 17 17 VAL HA H 1 3.820 0.001 . 1 . . . . . 16 VAL HA . 27092 1 124 . 1 1 17 17 VAL HB H 1 2.172 0.003 . 1 . . . . . 16 VAL HB . 27092 1 125 . 1 1 17 17 VAL HG11 H 1 0.994 0.002 . 2 . . . . . 16 VAL HG11 . 27092 1 126 . 1 1 17 17 VAL HG12 H 1 0.994 0.002 . 2 . . . . . 16 VAL HG12 . 27092 1 127 . 1 1 17 17 VAL HG13 H 1 0.994 0.002 . 2 . . . . . 16 VAL HG13 . 27092 1 128 . 1 1 17 17 VAL HG21 H 1 1.053 0.001 . 2 . . . . . 16 VAL HG21 . 27092 1 129 . 1 1 17 17 VAL HG22 H 1 1.053 0.001 . 2 . . . . . 16 VAL HG22 . 27092 1 130 . 1 1 17 17 VAL HG23 H 1 1.053 0.001 . 2 . . . . . 16 VAL HG23 . 27092 1 131 . 1 1 17 17 VAL CB C 13 31.886 0.000 . 1 . . . . . 16 VAL CB . 27092 1 132 . 1 1 17 17 VAL CG1 C 13 21.590 0.000 . 2 . . . . . 16 VAL CG1 . 27092 1 133 . 1 1 17 17 VAL CG2 C 13 22.316 0.000 . 2 . . . . . 16 VAL CG2 . 27092 1 134 . 1 1 18 18 CYS H H 1 8.046 0.002 . 1 . . . . . 17 CYS H . 27092 1 135 . 1 1 18 18 CYS HA H 1 4.152 0.002 . 1 . . . . . 17 CYS HA . 27092 1 136 . 1 1 18 18 CYS HB2 H 1 2.808 0.006 . 2 . . . . . 17 CYS HB2 . 27092 1 137 . 1 1 18 18 CYS HB3 H 1 3.093 0.002 . 2 . . . . . 17 CYS HB3 . 27092 1 138 . 1 1 18 18 CYS CA C 13 57.784 0.000 . 1 . . . . . 17 CYS CA . 27092 1 139 . 1 1 18 18 CYS CB C 13 27.178 0.002 . 1 . . . . . 17 CYS CB . 27092 1 140 . 1 1 19 19 ALA H H 1 8.269 0.002 . 1 . . . . . 18 ALA H . 27092 1 141 . 1 1 19 19 ALA HA H 1 3.976 0.002 . 1 . . . . . 18 ALA HA . 27092 1 142 . 1 1 19 19 ALA HB1 H 1 1.488 0.001 . 1 . . . . . 18 ALA HB1 . 27092 1 143 . 1 1 19 19 ALA HB2 H 1 1.488 0.001 . 1 . . . . . 18 ALA HB2 . 27092 1 144 . 1 1 19 19 ALA HB3 H 1 1.488 0.001 . 1 . . . . . 18 ALA HB3 . 27092 1 145 . 1 1 19 19 ALA CA C 13 55.785 0.000 . 1 . . . . . 18 ALA CA . 27092 1 146 . 1 1 19 19 ALA CB C 13 18.510 0.000 . 1 . . . . . 18 ALA CB . 27092 1 147 . 1 1 20 20 VAL H H 1 7.739 0.002 . 1 . . . . . 19 VAL H . 27092 1 148 . 1 1 20 20 VAL HA H 1 3.658 0.004 . 1 . . . . . 19 VAL HA . 27092 1 149 . 1 1 20 20 VAL HB H 1 2.138 0.004 . 1 . . . . . 19 VAL HB . 27092 1 150 . 1 1 20 20 VAL HG11 H 1 0.776 0.002 . 2 . . . . . 19 VAL HG11 . 27092 1 151 . 1 1 20 20 VAL HG12 H 1 0.776 0.002 . 2 . . . . . 19 VAL HG12 . 27092 1 152 . 1 1 20 20 VAL HG13 H 1 0.776 0.002 . 2 . . . . . 19 VAL HG13 . 27092 1 153 . 1 1 20 20 VAL HG21 H 1 1.004 0.002 . 2 . . . . . 19 VAL HG21 . 27092 1 154 . 1 1 20 20 VAL HG22 H 1 1.004 0.002 . 2 . . . . . 19 VAL HG22 . 27092 1 155 . 1 1 20 20 VAL HG23 H 1 1.004 0.002 . 2 . . . . . 19 VAL HG23 . 27092 1 156 . 1 1 20 20 VAL CB C 13 31.704 0.000 . 1 . . . . . 19 VAL CB . 27092 1 157 . 1 1 20 20 VAL CG1 C 13 21.269 0.000 . 2 . . . . . 19 VAL CG1 . 27092 1 158 . 1 1 20 20 VAL CG2 C 13 22.632 0.000 . 2 . . . . . 19 VAL CG2 . 27092 1 159 . 1 1 21 21 TYR H H 1 7.754 0.003 . 1 . . . . . 20 TYR H . 27092 1 160 . 1 1 21 21 TYR HA H 1 4.354 0.001 . 1 . . . . . 20 TYR HA . 27092 1 161 . 1 1 21 21 TYR HB2 H 1 3.043 0.004 . 2 . . . . . 20 TYR HB2 . 27092 1 162 . 1 1 21 21 TYR HB3 H 1 3.094 0.003 . 2 . . . . . 20 TYR HB3 . 27092 1 163 . 1 1 21 21 TYR HD1 H 1 7.069 0.002 . 1 . . . . . 20 TYR HD1 . 27092 1 164 . 1 1 21 21 TYR HD2 H 1 7.069 0.002 . 1 . . . . . 20 TYR HD2 . 27092 1 165 . 1 1 21 21 TYR HE1 H 1 6.720 0.003 . 1 . . . . . 20 TYR HE1 . 27092 1 166 . 1 1 21 21 TYR HE2 H 1 6.720 0.003 . 1 . . . . . 20 TYR HE2 . 27092 1 167 . 1 1 21 21 TYR CA C 13 61.623 0.000 . 1 . . . . . 20 TYR CA . 27092 1 168 . 1 1 21 21 TYR CB C 13 38.121 0.007 . 1 . . . . . 20 TYR CB . 27092 1 169 . 1 1 21 21 TYR CD1 C 13 132.153 0.000 . 1 . . . . . 20 TYR CD1 . 27092 1 170 . 1 1 21 21 TYR CD2 C 13 132.153 0.000 . 1 . . . . . 20 TYR CD2 . 27092 1 171 . 1 1 21 21 TYR CE1 C 13 118.242 0.000 . 1 . . . . . 20 TYR CE1 . 27092 1 172 . 1 1 21 21 TYR CE2 C 13 118.242 0.000 . 1 . . . . . 20 TYR CE2 . 27092 1 173 . 1 1 22 22 MET H H 1 8.458 0.002 . 1 . . . . . 21 MET H . 27092 1 174 . 1 1 22 22 MET HA H 1 4.224 0.003 . 1 . . . . . 21 MET HA . 27092 1 175 . 1 1 22 22 MET HB2 H 1 2.227 0.003 . 2 . . . . . 21 MET HB2 . 27092 1 176 . 1 1 22 22 MET HB3 H 1 2.040 0.002 . 2 . . . . . 21 MET HB3 . 27092 1 177 . 1 1 22 22 MET HG2 H 1 2.520 0.003 . 2 . . . . . 21 MET HG2 . 27092 1 178 . 1 1 22 22 MET HG3 H 1 2.672 0.003 . 2 . . . . . 21 MET HG3 . 27092 1 179 . 1 1 22 22 MET CA C 13 56.823 0.000 . 1 . . . . . 21 MET CA . 27092 1 180 . 1 1 22 22 MET CB C 13 32.453 0.026 . 1 . . . . . 21 MET CB . 27092 1 181 . 1 1 22 22 MET CG C 13 33.311 0.008 . 1 . . . . . 21 MET CG . 27092 1 182 . 1 1 23 23 ALA H H 1 8.178 0.005 . 1 . . . . . 22 ALA H . 27092 1 183 . 1 1 23 23 ALA HA H 1 4.041 0.001 . 1 . . . . . 22 ALA HA . 27092 1 184 . 1 1 23 23 ALA HB1 H 1 1.511 0.001 . 1 . . . . . 22 ALA HB1 . 27092 1 185 . 1 1 23 23 ALA HB2 H 1 1.511 0.001 . 1 . . . . . 22 ALA HB2 . 27092 1 186 . 1 1 23 23 ALA HB3 H 1 1.511 0.001 . 1 . . . . . 22 ALA HB3 . 27092 1 187 . 1 1 23 23 ALA CA C 13 55.461 0.000 . 1 . . . . . 22 ALA CA . 27092 1 188 . 1 1 23 23 ALA CB C 13 18.231 0.000 . 1 . . . . . 22 ALA CB . 27092 1 189 . 1 1 24 24 PHE H H 1 7.895 0.001 . 1 . . . . . 23 PHE H . 27092 1 190 . 1 1 24 24 PHE HA H 1 4.246 0.003 . 1 . . . . . 23 PHE HA . 27092 1 191 . 1 1 24 24 PHE HB2 H 1 3.307 0.002 . 1 . . . . . 23 PHE HB2 . 27092 1 192 . 1 1 24 24 PHE HD1 H 1 7.223 0.001 . 1 . . . . . 23 PHE HD1 . 27092 1 193 . 1 1 24 24 PHE HD2 H 1 7.223 0.001 . 1 . . . . . 23 PHE HD2 . 27092 1 194 . 1 1 24 24 PHE CA C 13 61.122 0.000 . 1 . . . . . 23 PHE CA . 27092 1 195 . 1 1 24 24 PHE CB C 13 39.044 0.000 . 1 . . . . . 23 PHE CB . 27092 1 196 . 1 1 24 24 PHE CD1 C 13 131.176 0.000 . 1 . . . . . 23 PHE CD1 . 27092 1 197 . 1 1 24 24 PHE CD2 C 13 131.176 0.000 . 1 . . . . . 23 PHE CD2 . 27092 1 198 . 1 1 25 25 LEU H H 1 7.847 0.002 . 1 . . . . . 24 LEU H . 27092 1 199 . 1 1 25 25 LEU HA H 1 4.245 0.001 . 1 . . . . . 24 LEU HA . 27092 1 200 . 1 1 25 25 LEU HB2 H 1 1.584 0.004 . 2 . . . . . 24 LEU HB2 . 27092 1 201 . 1 1 25 25 LEU HB3 H 1 1.672 0.003 . 2 . . . . . 24 LEU HB3 . 27092 1 202 . 1 1 25 25 LEU CB C 13 42.050 0.032 . 1 . . . . . 24 LEU CB . 27092 1 203 . 1 1 26 26 ALA H H 1 8.450 0.001 . 1 . . . . . 25 ALA H . 27092 1 204 . 1 1 26 26 ALA HA H 1 3.890 0.002 . 1 . . . . . 25 ALA HA . 27092 1 205 . 1 1 26 26 ALA HB1 H 1 1.463 0.002 . 1 . . . . . 25 ALA HB1 . 27092 1 206 . 1 1 26 26 ALA HB2 H 1 1.463 0.002 . 1 . . . . . 25 ALA HB2 . 27092 1 207 . 1 1 26 26 ALA HB3 H 1 1.463 0.002 . 1 . . . . . 25 ALA HB3 . 27092 1 208 . 1 1 26 26 ALA CA C 13 55.633 0.000 . 1 . . . . . 25 ALA CA . 27092 1 209 . 1 1 26 26 ALA CB C 13 18.359 0.000 . 1 . . . . . 25 ALA CB . 27092 1 210 . 1 1 27 27 LYS H H 1 8.188 0.003 . 1 . . . . . 26 LYS H . 27092 1 211 . 1 1 27 27 LYS HA H 1 3.899 0.003 . 1 . . . . . 26 LYS HA . 27092 1 212 . 1 1 27 27 LYS HB2 H 1 1.866 0.007 . 1 . . . . . 26 LYS HB2 . 27092 1 213 . 1 1 27 27 LYS HD2 H 1 1.667 0.001 . 1 . . . . . 26 LYS HD2 . 27092 1 214 . 1 1 27 27 LYS CB C 13 32.295 0.005 . 1 . . . . . 26 LYS CB . 27092 1 215 . 1 1 27 27 LYS CD C 13 28.805 0.000 . 1 . . . . . 26 LYS CD . 27092 1 216 . 1 1 28 28 LEU H H 1 7.691 0.002 . 1 . . . . . 27 LEU H . 27092 1 217 . 1 1 28 28 LEU HA H 1 3.972 0.002 . 1 . . . . . 27 LEU HA . 27092 1 218 . 1 1 28 28 LEU HB2 H 1 1.676 0.002 . 2 . . . . . 27 LEU HB2 . 27092 1 219 . 1 1 28 28 LEU HB3 H 1 1.565 0.003 . 2 . . . . . 27 LEU HB3 . 27092 1 220 . 1 1 28 28 LEU HD11 H 1 0.794 0.003 . 1 . . . . . 27 LEU HD11 . 27092 1 221 . 1 1 28 28 LEU HD12 H 1 0.794 0.003 . 1 . . . . . 27 LEU HD12 . 27092 1 222 . 1 1 28 28 LEU HD13 H 1 0.794 0.003 . 1 . . . . . 27 LEU HD13 . 27092 1 223 . 1 1 28 28 LEU CA C 13 57.822 0.000 . 1 . . . . . 27 LEU CA . 27092 1 224 . 1 1 28 28 LEU CB C 13 42.185 0.003 . 1 . . . . . 27 LEU CB . 27092 1 225 . 1 1 29 29 LEU H H 1 8.076 0.002 . 1 . . . . . 28 LEU H . 27092 1 226 . 1 1 29 29 LEU HA H 1 4.011 0.003 . 1 . . . . . 28 LEU HA . 27092 1 227 . 1 1 29 29 LEU HB2 H 1 1.555 0.004 . 1 . . . . . 28 LEU HB2 . 27092 1 228 . 1 1 29 29 LEU CA C 13 57.556 0.000 . 1 . . . . . 28 LEU CA . 27092 1 229 . 1 1 29 29 LEU CB C 13 42.218 0.000 . 1 . . . . . 28 LEU CB . 27092 1 230 . 1 1 30 30 LEU H H 1 8.068 0.004 . 1 . . . . . 29 LEU H . 27092 1 231 . 1 1 30 30 LEU HA H 1 4.091 0.002 . 1 . . . . . 29 LEU HA . 27092 1 232 . 1 1 30 30 LEU HB2 H 1 1.798 0.007 . 2 . . . . . 29 LEU HB2 . 27092 1 233 . 1 1 30 30 LEU HB3 H 1 1.584 0.003 . 2 . . . . . 29 LEU HB3 . 27092 1 234 . 1 1 30 30 LEU CA C 13 57.026 0.000 . 1 . . . . . 29 LEU CA . 27092 1 235 . 1 1 30 30 LEU CB C 13 42.084 0.004 . 1 . . . . . 29 LEU CB . 27092 1 236 . 1 1 31 31 LYS H H 1 7.731 0.002 . 1 . . . . . 30 LYS H . 27092 1 237 . 1 1 31 31 LYS HA H 1 4.125 0.002 . 1 . . . . . 30 LYS HA . 27092 1 238 . 1 1 31 31 LYS HB2 H 1 1.913 0.002 . 2 . . . . . 30 LYS HB2 . 27092 1 239 . 1 1 31 31 LYS HB3 H 1 1.672 0.002 . 2 . . . . . 30 LYS HB3 . 27092 1 240 . 1 1 31 31 LYS HG2 H 1 1.522 0.005 . 2 . . . . . 30 LYS HG2 . 27092 1 241 . 1 1 31 31 LYS HG3 H 1 1.464 0.003 . 2 . . . . . 30 LYS HG3 . 27092 1 242 . 1 1 31 31 LYS CA C 13 57.889 0.000 . 1 . . . . . 30 LYS CA . 27092 1 243 . 1 1 31 31 LYS CB C 13 32.951 0.033 . 1 . . . . . 30 LYS CB . 27092 1 244 . 1 1 31 31 LYS CG C 13 24.974 0.000 . 1 . . . . . 30 LYS CG . 27092 1 245 . 1 1 32 32 LYS H H 1 7.932 0.001 . 1 . . . . . 31 LYS H . 27092 1 246 . 1 1 32 32 LYS HA H 1 4.206 0.003 . 1 . . . . . 31 LYS HA . 27092 1 247 . 1 1 32 32 LYS HB2 H 1 1.888 0.004 . 1 . . . . . 31 LYS HB2 . 27092 1 248 . 1 1 32 32 LYS HG2 H 1 1.496 0.000 . 1 . . . . . 31 LYS HG2 . 27092 1 249 . 1 1 32 32 LYS HD2 H 1 1.677 0.002 . 1 . . . . . 31 LYS HD2 . 27092 1 250 . 1 1 32 32 LYS CA C 13 57.044 0.000 . 1 . . . . . 31 LYS CA . 27092 1 251 . 1 1 32 32 LYS CB C 13 32.942 0.000 . 1 . . . . . 31 LYS CB . 27092 1 252 . 1 1 32 32 LYS CG C 13 24.879 0.000 . 1 . . . . . 31 LYS CG . 27092 1 253 . 1 1 32 32 LYS CD C 13 29.104 0.000 . 1 . . . . . 31 LYS CD . 27092 1 254 . 1 1 33 33 LYS H H 1 8.035 0.001 . 1 . . . . . 32 LYS H . 27092 1 255 . 1 1 33 33 LYS HA H 1 4.193 0.004 . 1 . . . . . 32 LYS HA . 27092 1 256 . 1 1 33 33 LYS HB2 H 1 1.801 0.007 . 2 . . . . . 32 LYS HB2 . 27092 1 257 . 1 1 33 33 LYS HB3 H 1 1.883 0.003 . 2 . . . . . 32 LYS HB3 . 27092 1 258 . 1 1 33 33 LYS HG2 H 1 1.479 0.004 . 1 . . . . . 32 LYS HG2 . 27092 1 259 . 1 1 33 33 LYS HD2 H 1 1.677 0.002 . 1 . . . . . 32 LYS HD2 . 27092 1 260 . 1 1 33 33 LYS CA C 13 57.124 0.000 . 1 . . . . . 32 LYS CA . 27092 1 261 . 1 1 33 33 LYS CB C 13 33.040 0.005 . 1 . . . . . 32 LYS CB . 27092 1 262 . 1 1 33 33 LYS CG C 13 24.858 0.000 . 1 . . . . . 32 LYS CG . 27092 1 263 . 1 1 33 33 LYS CD C 13 29.154 0.000 . 1 . . . . . 32 LYS CD . 27092 1 stop_ save_