################################### # 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 15951 _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.01 _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-1H NOESY' . . . 15951 1 2 '2D 1H-1H TOCSY' . . . 15951 1 3 '2D 1H-13C HSQC' . . . 15951 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 1 1 ARG HA H 1 4.08 0.01 . 1 . . . . 1 ARG HA . 15951 1 2 . 1 1 1 1 ARG HB2 H 1 1.99 0.01 . 1 . . . . 1 ARG HB2 . 15951 1 3 . 1 1 1 1 ARG HB3 H 1 1.99 0.01 . 1 . . . . 1 ARG HB3 . 15951 1 4 . 1 1 1 1 ARG HD2 H 1 3.24 0.01 . 1 . . . . 1 ARG HD2 . 15951 1 5 . 1 1 1 1 ARG HD3 H 1 3.24 0.01 . 1 . . . . 1 ARG HD3 . 15951 1 6 . 1 1 1 1 ARG HE H 1 7.23 0.01 . 1 . . . . 1 ARG HE . 15951 1 7 . 1 1 1 1 ARG HG2 H 1 1.73 0.01 . 2 . . . . 1 ARG HG2 . 15951 1 8 . 1 1 1 1 ARG HG3 H 1 1.67 0.01 . 2 . . . . 1 ARG HG3 . 15951 1 9 . 1 1 1 1 ARG CA C 13 56.46 0.01 . 1 . . . . 1 ARG CA . 15951 1 10 . 1 1 1 1 ARG CB C 13 31.88 0.01 . 1 . . . . 1 ARG CB . 15951 1 11 . 1 1 1 1 ARG CD C 13 44.13 0.01 . 1 . . . . 1 ARG CD . 15951 1 12 . 1 1 1 1 ARG CG C 13 27.05 0.01 . 1 . . . . 1 ARG CG . 15951 1 13 . 1 1 2 2 LEU H H 1 8.47 0.01 . 1 . . . . 2 LEU H . 15951 1 14 . 1 1 2 2 LEU HA H 1 4.50 0.01 . 1 . . . . 2 LEU HA . 15951 1 15 . 1 1 2 2 LEU HB2 H 1 1.66 0.01 . 2 . . . . 2 LEU HB2 . 15951 1 16 . 1 1 2 2 LEU HB3 H 1 1.62 0.01 . 2 . . . . 2 LEU HB3 . 15951 1 17 . 1 1 2 2 LEU HD11 H 1 0.95 0.01 . 2 . . . . 2 LEU MD1 . 15951 1 18 . 1 1 2 2 LEU HD12 H 1 0.95 0.01 . 2 . . . . 2 LEU MD1 . 15951 1 19 . 1 1 2 2 LEU HD13 H 1 0.95 0.01 . 2 . . . . 2 LEU MD1 . 15951 1 20 . 1 1 2 2 LEU HD21 H 1 0.91 0.01 . 2 . . . . 2 LEU MD2 . 15951 1 21 . 1 1 2 2 LEU HD22 H 1 0.91 0.01 . 2 . . . . 2 LEU MD2 . 15951 1 22 . 1 1 2 2 LEU HD23 H 1 0.91 0.01 . 2 . . . . 2 LEU MD2 . 15951 1 23 . 1 1 2 2 LEU CA C 13 56.34 0.01 . 1 . . . . 2 LEU CA . 15951 1 24 . 1 1 2 2 LEU CB C 13 43.69 0.01 . 1 . . . . 2 LEU CB . 15951 1 25 . 1 1 3 3 VAL H H 1 7.78 0.01 . 1 . . . . 3 VAL H . 15951 1 26 . 1 1 3 3 VAL HA H 1 4.55 0.01 . 1 . . . . 3 VAL HA . 15951 1 27 . 1 1 3 3 VAL HB H 1 2.16 0.01 . 1 . . . . 3 VAL HB . 15951 1 28 . 1 1 3 3 VAL HG11 H 1 0.99 0.01 . 2 . . . . 3 VAL MG1 . 15951 1 29 . 1 1 3 3 VAL HG12 H 1 0.99 0.01 . 2 . . . . 3 VAL MG1 . 15951 1 30 . 1 1 3 3 VAL HG13 H 1 0.99 0.01 . 2 . . . . 3 VAL MG1 . 15951 1 31 . 1 1 3 3 VAL HG21 H 1 0.96 0.01 . 2 . . . . 3 VAL MG2 . 15951 1 32 . 1 1 3 3 VAL HG22 H 1 0.96 0.01 . 2 . . . . 3 VAL MG2 . 15951 1 33 . 1 1 3 3 VAL HG23 H 1 0.96 0.01 . 2 . . . . 3 VAL MG2 . 15951 1 34 . 1 1 3 3 VAL CA C 13 60.38 0.01 . 1 . . . . 3 VAL CA . 15951 1 35 . 1 1 3 3 VAL CB C 13 33.98 0.01 . 1 . . . . 3 VAL CB . 15951 1 36 . 1 1 3 3 VAL CG1 C 13 21.83 0.01 . 2 . . . . 3 VAL CG1 . 15951 1 37 . 1 1 3 3 VAL CG2 C 13 20.60 0.01 . 2 . . . . 3 VAL CG2 . 15951 1 38 . 1 1 4 4 PRO HA H 1 4.37 0.01 . 1 . . . . 4 PRO HA . 15951 1 39 . 1 1 4 4 PRO HB2 H 1 2.30 0.01 . 2 . . . . 4 PRO HB2 . 15951 1 40 . 1 1 4 4 PRO HB3 H 1 1.99 0.01 . 2 . . . . 4 PRO HB3 . 15951 1 41 . 1 1 4 4 PRO HD2 H 1 3.86 0.01 . 2 . . . . 4 PRO HD2 . 15951 1 42 . 1 1 4 4 PRO HD3 H 1 3.71 0.01 . 2 . . . . 4 PRO HD3 . 15951 1 43 . 1 1 4 4 PRO HG2 H 1 2.12 0.01 . 2 . . . . 4 PRO HG2 . 15951 1 44 . 1 1 4 4 PRO HG3 H 1 1.99 0.01 . 2 . . . . 4 PRO HG3 . 15951 1 45 . 1 1 4 4 PRO CA C 13 64.80 0.01 . 1 . . . . 4 PRO CA . 15951 1 46 . 1 1 4 4 PRO CB C 13 32.66 0.01 . 1 . . . . 4 PRO CB . 15951 1 47 . 1 1 4 4 PRO CD C 13 51.69 0.01 . 1 . . . . 4 PRO CD . 15951 1 48 . 1 1 4 4 PRO CG C 13 28.17 0.01 . 1 . . . . 4 PRO CG . 15951 1 49 . 1 1 5 5 GLY H H 1 8.15 0.01 . 1 . . . . 5 GLY H . 15951 1 50 . 1 1 5 5 GLY HA2 H 1 4.03 0.01 . 2 . . . . 5 GLY HA2 . 15951 1 51 . 1 1 5 5 GLY HA3 H 1 3.90 0.01 . 2 . . . . 5 GLY HA3 . 15951 1 52 . 1 1 5 5 GLY CA C 13 46.82 0.01 . 1 . . . . 5 GLY CA . 15951 1 53 . 1 1 6 6 ALA H H 1 7.85 0.01 . 1 . . . . 6 ALA H . 15951 1 54 . 1 1 6 6 ALA HA H 1 4.24 0.01 . 1 . . . . 6 ALA HA . 15951 1 55 . 1 1 6 6 ALA HB1 H 1 1.44 0.01 . 1 . . . . 6 ALA MB . 15951 1 56 . 1 1 6 6 ALA HB2 H 1 1.44 0.01 . 1 . . . . 6 ALA MB . 15951 1 57 . 1 1 6 6 ALA HB3 H 1 1.44 0.01 . 1 . . . . 6 ALA MB . 15951 1 58 . 1 1 6 6 ALA CA C 13 54.77 0.01 . 1 . . . . 6 ALA CA . 15951 1 59 . 1 1 6 6 ALA CB C 13 19.38 0.01 . 1 . . . . 6 ALA CB . 15951 1 60 . 1 1 7 7 ALA H H 1 7.92 0.01 . 1 . . . . 7 ALA H . 15951 1 61 . 1 1 7 7 ALA HA H 1 4.14 0.01 . 1 . . . . 7 ALA HA . 15951 1 62 . 1 1 7 7 ALA HB1 H 1 1.38 0.01 . 1 . . . . 7 ALA MB . 15951 1 63 . 1 1 7 7 ALA HB2 H 1 1.38 0.01 . 1 . . . . 7 ALA MB . 15951 1 64 . 1 1 7 7 ALA HB3 H 1 1.38 0.01 . 1 . . . . 7 ALA MB . 15951 1 65 . 1 1 7 7 ALA CA C 13 55.10 0.01 . 1 . . . . 7 ALA CA . 15951 1 66 . 1 1 7 7 ALA CB C 13 18.85 0.01 . 1 . . . . 7 ALA CB . 15951 1 67 . 1 1 8 8 TYR H H 1 7.58 0.01 . 1 . . . . 8 TYR H . 15951 1 68 . 1 1 8 8 TYR HA H 1 4.37 0.01 . 1 . . . . 8 TYR HA . 15951 1 69 . 1 1 8 8 TYR HB2 H 1 3.11 0.01 . 2 . . . . 8 TYR HB2 . 15951 1 70 . 1 1 8 8 TYR HB3 H 1 3.05 0.01 . 2 . . . . 8 TYR HB3 . 15951 1 71 . 1 1 8 8 TYR HD1 H 1 7.11 0.01 . 1 . . . . 8 TYR HD1 . 15951 1 72 . 1 1 8 8 TYR HD2 H 1 7.11 0.01 . 1 . . . . 8 TYR HD2 . 15951 1 73 . 1 1 8 8 TYR HE1 H 1 6.83 0.01 . 1 . . . . 8 TYR HE1 . 15951 1 74 . 1 1 8 8 TYR HE2 H 1 6.83 0.01 . 1 . . . . 8 TYR HE2 . 15951 1 75 . 1 1 8 8 TYR CA C 13 60.43 0.01 . 1 . . . . 8 TYR CA . 15951 1 76 . 1 1 8 8 TYR CB C 13 39.01 0.01 . 1 . . . . 8 TYR CB . 15951 1 77 . 1 1 8 8 TYR CD1 C 13 134.18 0.01 . 1 . . . . 8 TYR CD1 . 15951 1 78 . 1 1 8 8 TYR CD2 C 13 134.18 0.01 . 1 . . . . 8 TYR CD2 . 15951 1 79 . 1 1 8 8 TYR CE1 C 13 119.13 0.01 . 1 . . . . 8 TYR CE1 . 15951 1 80 . 1 1 8 8 TYR CE2 C 13 119.13 0.01 . 1 . . . . 8 TYR CE2 . 15951 1 81 . 1 1 9 9 ALA H H 1 7.73 0.01 . 1 . . . . 9 ALA H . 15951 1 82 . 1 1 9 9 ALA HA H 1 4.21 0.01 . 1 . . . . 9 ALA HA . 15951 1 83 . 1 1 9 9 ALA HB1 H 1 1.46 0.01 . 1 . . . . 9 ALA MB . 15951 1 84 . 1 1 9 9 ALA HB2 H 1 1.46 0.01 . 1 . . . . 9 ALA MB . 15951 1 85 . 1 1 9 9 ALA HB3 H 1 1.46 0.01 . 1 . . . . 9 ALA MB . 15951 1 86 . 1 1 9 9 ALA CA C 13 55.02 0.01 . 1 . . . . 9 ALA CA . 15951 1 87 . 1 1 9 9 ALA CB C 13 19.18 0.01 . 1 . . . . 9 ALA CB . 15951 1 88 . 1 1 10 10 LEU H H 1 7.76 0.01 . 1 . . . . 10 LEU H . 15951 1 89 . 1 1 10 10 LEU HA H 1 4.24 0.01 . 1 . . . . 10 LEU HA . 15951 1 90 . 1 1 10 10 LEU HB2 H 1 1.63 0.01 . 2 . . . . 10 LEU HB2 . 15951 1 91 . 1 1 10 10 LEU HB3 H 1 1.44 0.01 . 2 . . . . 10 LEU HB3 . 15951 1 92 . 1 1 10 10 LEU HD11 H 1 0.89 0.01 . 2 . . . . 10 LEU MD1 . 15951 1 93 . 1 1 10 10 LEU HD12 H 1 0.89 0.01 . 2 . . . . 10 LEU MD1 . 15951 1 94 . 1 1 10 10 LEU HD13 H 1 0.89 0.01 . 2 . . . . 10 LEU MD1 . 15951 1 95 . 1 1 10 10 LEU HD21 H 1 0.82 0.01 . 2 . . . . 10 LEU MD2 . 15951 1 96 . 1 1 10 10 LEU HD22 H 1 0.82 0.01 . 2 . . . . 10 LEU MD2 . 15951 1 97 . 1 1 10 10 LEU HD23 H 1 0.82 0.01 . 2 . . . . 10 LEU MD2 . 15951 1 98 . 1 1 10 10 LEU CA C 13 57.20 0.01 . 1 . . . . 10 LEU CA . 15951 1 99 . 1 1 10 10 LEU CB C 13 43.09 0.01 . 1 . . . . 10 LEU CB . 15951 1 100 . 1 1 11 11 TYR HA H 1 4.45 0.01 . 1 . . . . 11 TYR HA . 15951 1 101 . 1 1 11 11 TYR HB2 H 1 3.17 0.01 . 2 . . . . 11 TYR HB2 . 15951 1 102 . 1 1 11 11 TYR HB3 H 1 3.06 0.01 . 2 . . . . 11 TYR HB3 . 15951 1 103 . 1 1 11 11 TYR HD1 H 1 7.13 0.01 . 1 . . . . 11 TYR HD1 . 15951 1 104 . 1 1 11 11 TYR HD2 H 1 7.13 0.01 . 1 . . . . 11 TYR HD2 . 15951 1 105 . 1 1 11 11 TYR HE1 H 1 6.82 0.01 . 1 . . . . 11 TYR HE1 . 15951 1 106 . 1 1 11 11 TYR HE2 H 1 6.82 0.01 . 1 . . . . 11 TYR HE2 . 15951 1 107 . 1 1 11 11 TYR CA C 13 60.16 0.01 . 1 . . . . 11 TYR CA . 15951 1 108 . 1 1 11 11 TYR CB C 13 39.42 0.01 . 1 . . . . 11 TYR CB . 15951 1 109 . 1 1 11 11 TYR CD1 C 13 133.85 0.01 . 1 . . . . 11 TYR CD1 . 15951 1 110 . 1 1 11 11 TYR CD2 C 13 133.85 0.01 . 1 . . . . 11 TYR CD2 . 15951 1 111 . 1 1 11 11 TYR CE1 C 13 119.02 0.01 . 1 . . . . 11 TYR CE1 . 15951 1 112 . 1 1 11 11 TYR CE2 C 13 119.02 0.01 . 1 . . . . 11 TYR CE2 . 15951 1 113 . 1 1 12 12 GLY H H 1 7.91 0.01 . 1 . . . . 12 GLY H . 15951 1 114 . 1 1 12 12 GLY HA2 H 1 3.90 0.01 . 1 . . . . 12 GLY HA2 . 15951 1 115 . 1 1 12 12 GLY HA3 H 1 3.90 0.01 . 1 . . . . 12 GLY HA3 . 15951 1 116 . 1 1 12 12 GLY CA C 13 46.72 0.01 . 1 . . . . 12 GLY CA . 15951 1 117 . 1 1 13 13 VAL H H 1 7.65 0.01 . 1 . . . . 13 VAL H . 15951 1 118 . 1 1 13 13 VAL HA H 1 4.33 0.01 . 1 . . . . 13 VAL HA . 15951 1 119 . 1 1 13 13 VAL HB H 1 2.27 0.01 . 1 . . . . 13 VAL HB . 15951 1 120 . 1 1 13 13 VAL HG11 H 1 0.95 0.01 . 2 . . . . 13 VAL MG1 . 15951 1 121 . 1 1 13 13 VAL HG12 H 1 0.95 0.01 . 2 . . . . 13 VAL MG1 . 15951 1 122 . 1 1 13 13 VAL HG13 H 1 0.95 0.01 . 2 . . . . 13 VAL MG1 . 15951 1 123 . 1 1 13 13 VAL HG21 H 1 0.93 0.01 . 2 . . . . 13 VAL MG2 . 15951 1 124 . 1 1 13 13 VAL HG22 H 1 0.93 0.01 . 2 . . . . 13 VAL MG2 . 15951 1 125 . 1 1 13 13 VAL HG23 H 1 0.93 0.01 . 2 . . . . 13 VAL MG2 . 15951 1 126 . 1 1 13 13 VAL CA C 13 62.93 0.01 . 1 . . . . 13 VAL CA . 15951 1 127 . 1 1 13 13 VAL CB C 13 33.51 0.01 . 1 . . . . 13 VAL CB . 15951 1 128 . 1 1 13 13 VAL CG1 C 13 20.85 0.01 . 2 . . . . 13 VAL CG1 . 15951 1 129 . 1 1 13 13 VAL CG2 C 13 21.56 0.01 . 2 . . . . 13 VAL CG2 . 15951 1 130 . 1 1 14 14 TRP H H 1 7.78 0.01 . 1 . . . . 14 TRP H . 15951 1 131 . 1 1 14 14 TRP HA H 1 4.80 0.01 . 1 . . . . 14 TRP HA . 15951 1 132 . 1 1 14 14 TRP HB2 H 1 3.43 0.01 . 2 . . . . 14 TRP HB2 . 15951 1 133 . 1 1 14 14 TRP HB3 H 1 3.38 0.01 . 2 . . . . 14 TRP HB3 . 15951 1 134 . 1 1 14 14 TRP HD1 H 1 7.27 0.01 . 1 . . . . 14 TRP HD1 . 15951 1 135 . 1 1 14 14 TRP HE1 H 1 9.63 0.01 . 1 . . . . 14 TRP HE1 . 15951 1 136 . 1 1 14 14 TRP HE3 H 1 7.55 0.01 . 1 . . . . 14 TRP HE3 . 15951 1 137 . 1 1 14 14 TRP HH2 H 1 7.18 0.01 . 1 . . . . 14 TRP HH2 . 15951 1 138 . 1 1 14 14 TRP HZ2 H 1 7.43 0.01 . 1 . . . . 14 TRP HZ2 . 15951 1 139 . 1 1 14 14 TRP HZ3 H 1 7.07 0.01 . 1 . . . . 14 TRP HZ3 . 15951 1 140 . 1 1 14 14 TRP CB C 13 29.03 0.01 . 1 . . . . 14 TRP CB . 15951 1 141 . 1 1 14 14 TRP CD1 C 13 127.38 0.01 . 1 . . . . 14 TRP CD1 . 15951 1 142 . 1 1 14 14 TRP CE3 C 13 121.74 0.01 . 1 . . . . 14 TRP CE3 . 15951 1 143 . 1 1 14 14 TRP CH2 C 13 125.77 0.01 . 1 . . . . 14 TRP CH2 . 15951 1 144 . 1 1 14 14 TRP CZ2 C 13 115.40 0.01 . 1 . . . . 14 TRP CZ2 . 15951 1 145 . 1 1 14 14 TRP CZ3 C 13 122.91 0.01 . 1 . . . . 14 TRP CZ3 . 15951 1 146 . 1 1 15 15 PRO HA H 1 4.19 0.01 . 1 . . . . 15 PRO HA . 15951 1 147 . 1 1 15 15 PRO HB2 H 1 2.24 0.01 . 2 . . . . 15 PRO HB2 . 15951 1 148 . 1 1 15 15 PRO HB3 H 1 1.73 0.01 . 2 . . . . 15 PRO HB3 . 15951 1 149 . 1 1 15 15 PRO HD2 H 1 3.52 0.01 . 2 . . . . 15 PRO HD2 . 15951 1 150 . 1 1 15 15 PRO HD3 H 1 3.44 0.01 . 2 . . . . 15 PRO HD3 . 15951 1 151 . 1 1 15 15 PRO HG2 H 1 1.93 0.01 . 2 . . . . 15 PRO HG2 . 15951 1 152 . 1 1 15 15 PRO HG3 H 1 1.53 0.01 . 2 . . . . 15 PRO HG3 . 15951 1 153 . 1 1 15 15 PRO CA C 13 66.86 0.01 . 1 . . . . 15 PRO CA . 15951 1 154 . 1 1 15 15 PRO CB C 13 31.92 0.01 . 1 . . . . 15 PRO CB . 15951 1 155 . 1 1 15 15 PRO CD C 13 51.18 0.01 . 1 . . . . 15 PRO CD . 15951 1 156 . 1 1 15 15 PRO CG C 13 28.78 0.01 . 1 . . . . 15 PRO CG . 15951 1 157 . 1 1 16 16 LEU H H 1 7.11 0.01 . 1 . . . . 16 LEU H . 15951 1 158 . 1 1 16 16 LEU HA H 1 4.18 0.01 . 1 . . . . 16 LEU HA . 15951 1 159 . 1 1 16 16 LEU HB2 H 1 1.70 0.01 . 2 . . . . 16 LEU HB2 . 15951 1 160 . 1 1 16 16 LEU HB3 H 1 1.62 0.01 . 2 . . . . 16 LEU HB3 . 15951 1 161 . 1 1 16 16 LEU HD11 H 1 0.93 0.01 . 2 . . . . 16 LEU MD1 . 15951 1 162 . 1 1 16 16 LEU HD12 H 1 0.93 0.01 . 2 . . . . 16 LEU MD1 . 15951 1 163 . 1 1 16 16 LEU HD13 H 1 0.93 0.01 . 2 . . . . 16 LEU MD1 . 15951 1 164 . 1 1 16 16 LEU HD21 H 1 0.89 0.01 . 2 . . . . 16 LEU MD2 . 15951 1 165 . 1 1 16 16 LEU HD22 H 1 0.89 0.01 . 2 . . . . 16 LEU MD2 . 15951 1 166 . 1 1 16 16 LEU HD23 H 1 0.89 0.01 . 2 . . . . 16 LEU MD2 . 15951 1 167 . 1 1 16 16 LEU CA C 13 58.17 0.01 . 1 . . . . 16 LEU CA . 15951 1 168 . 1 1 16 16 LEU CB C 13 42.76 0.01 . 1 . . . . 16 LEU CB . 15951 1 169 . 1 1 17 17 LEU H H 1 7.70 0.01 . 1 . . . . 17 LEU H . 15951 1 170 . 1 1 17 17 LEU HA H 1 4.03 0.01 . 1 . . . . 17 LEU HA . 15951 1 171 . 1 1 17 17 LEU HB2 H 1 1.77 0.01 . 2 . . . . 17 LEU HB2 . 15951 1 172 . 1 1 17 17 LEU HB3 H 1 1.64 0.01 . 2 . . . . 17 LEU HB3 . 15951 1 173 . 1 1 17 17 LEU HD11 H 1 0.90 0.01 . 2 . . . . 17 LEU MD1 . 15951 1 174 . 1 1 17 17 LEU HD12 H 1 0.90 0.01 . 2 . . . . 17 LEU MD1 . 15951 1 175 . 1 1 17 17 LEU HD13 H 1 0.90 0.01 . 2 . . . . 17 LEU MD1 . 15951 1 176 . 1 1 17 17 LEU HD21 H 1 0.87 0.01 . 2 . . . . 17 LEU MD2 . 15951 1 177 . 1 1 17 17 LEU HD22 H 1 0.87 0.01 . 2 . . . . 17 LEU MD2 . 15951 1 178 . 1 1 17 17 LEU HD23 H 1 0.87 0.01 . 2 . . . . 17 LEU MD2 . 15951 1 179 . 1 1 17 17 LEU CA C 13 59.06 0.01 . 1 . . . . 17 LEU CA . 15951 1 180 . 1 1 18 18 LEU H H 1 7.79 0.01 . 1 . . . . 18 LEU H . 15951 1 181 . 1 1 18 18 LEU HA H 1 4.01 0.01 . 1 . . . . 18 LEU HA . 15951 1 182 . 1 1 18 18 LEU HB2 H 1 1.76 0.01 . 2 . . . . 18 LEU HB2 . 15951 1 183 . 1 1 18 18 LEU HB3 H 1 1.53 0.01 . 2 . . . . 18 LEU HB3 . 15951 1 184 . 1 1 18 18 LEU HD11 H 1 0.89 0.01 . 2 . . . . 18 LEU MD1 . 15951 1 185 . 1 1 18 18 LEU HD12 H 1 0.89 0.01 . 2 . . . . 18 LEU MD1 . 15951 1 186 . 1 1 18 18 LEU HD13 H 1 0.89 0.01 . 2 . . . . 18 LEU MD1 . 15951 1 187 . 1 1 18 18 LEU HD21 H 1 0.83 0.01 . 2 . . . . 18 LEU MD2 . 15951 1 188 . 1 1 18 18 LEU HD22 H 1 0.83 0.01 . 2 . . . . 18 LEU MD2 . 15951 1 189 . 1 1 18 18 LEU HD23 H 1 0.83 0.01 . 2 . . . . 18 LEU MD2 . 15951 1 190 . 1 1 18 18 LEU HG H 1 1.70 0.01 . 1 . . . . 18 LEU HG . 15951 1 191 . 1 1 18 18 LEU CA C 13 58.91 0.01 . 1 . . . . 18 LEU CA . 15951 1 192 . 1 1 18 18 LEU CB C 13 42.50 0.01 . 1 . . . . 18 LEU CB . 15951 1 193 . 1 1 18 18 LEU CG C 13 27.97 0.01 . 1 . . . . 18 LEU CG . 15951 1 194 . 1 1 19 19 LEU H H 1 7.44 0.01 . 1 . . . . 19 LEU H . 15951 1 195 . 1 1 19 19 LEU HA H 1 4.14 0.01 . 1 . . . . 19 LEU HA . 15951 1 196 . 1 1 19 19 LEU HB2 H 1 1.86 0.01 . 2 . . . . 19 LEU HB2 . 15951 1 197 . 1 1 19 19 LEU HB3 H 1 1.78 0.01 . 2 . . . . 19 LEU HB3 . 15951 1 198 . 1 1 19 19 LEU HD11 H 1 0.94 0.01 . 2 . . . . 19 LEU MD1 . 15951 1 199 . 1 1 19 19 LEU HD12 H 1 0.94 0.01 . 2 . . . . 19 LEU MD1 . 15951 1 200 . 1 1 19 19 LEU HD13 H 1 0.94 0.01 . 2 . . . . 19 LEU MD1 . 15951 1 201 . 1 1 19 19 LEU HD21 H 1 0.89 0.01 . 2 . . . . 19 LEU MD2 . 15951 1 202 . 1 1 19 19 LEU HD22 H 1 0.89 0.01 . 2 . . . . 19 LEU MD2 . 15951 1 203 . 1 1 19 19 LEU HD23 H 1 0.89 0.01 . 2 . . . . 19 LEU MD2 . 15951 1 204 . 1 1 19 19 LEU CA C 13 58.86 0.01 . 1 . . . . 19 LEU CA . 15951 1 205 . 1 1 19 19 LEU CB C 13 42.79 0.01 . 1 . . . . 19 LEU CB . 15951 1 206 . 1 1 20 20 LEU H H 1 8.07 0.01 . 1 . . . . 20 LEU H . 15951 1 207 . 1 1 20 20 LEU HA H 1 4.12 0.01 . 1 . . . . 20 LEU HA . 15951 1 208 . 1 1 20 20 LEU HB2 H 1 1.95 0.01 . 2 . . . . 20 LEU HB2 . 15951 1 209 . 1 1 20 20 LEU HB3 H 1 1.54 0.01 . 2 . . . . 20 LEU HB3 . 15951 1 210 . 1 1 20 20 LEU HD11 H 1 0.88 0.01 . 2 . . . . 20 LEU MD1 . 15951 1 211 . 1 1 20 20 LEU HD12 H 1 0.88 0.01 . 2 . . . . 20 LEU MD1 . 15951 1 212 . 1 1 20 20 LEU HD13 H 1 0.88 0.01 . 2 . . . . 20 LEU MD1 . 15951 1 213 . 1 1 20 20 LEU HD21 H 1 0.85 0.01 . 2 . . . . 20 LEU MD2 . 15951 1 214 . 1 1 20 20 LEU HD22 H 1 0.85 0.01 . 2 . . . . 20 LEU MD2 . 15951 1 215 . 1 1 20 20 LEU HD23 H 1 0.85 0.01 . 2 . . . . 20 LEU MD2 . 15951 1 216 . 1 1 20 20 LEU CA C 13 58.59 0.01 . 1 . . . . 20 LEU CA . 15951 1 217 . 1 1 20 20 LEU CB C 13 42.78 0.01 . 1 . . . . 20 LEU CB . 15951 1 218 . 1 1 21 21 LEU H H 1 8.10 0.01 . 1 . . . . 21 LEU H . 15951 1 219 . 1 1 21 21 LEU HA H 1 4.26 0.01 . 1 . . . . 21 LEU HA . 15951 1 220 . 1 1 21 21 LEU HB2 H 1 1.91 0.01 . 2 . . . . 21 LEU HB2 . 15951 1 221 . 1 1 21 21 LEU HB3 H 1 1.56 0.01 . 2 . . . . 21 LEU HB3 . 15951 1 222 . 1 1 21 21 LEU HD11 H 1 0.89 0.01 . 1 . . . . 21 LEU MD1 . 15951 1 223 . 1 1 21 21 LEU HD12 H 1 0.89 0.01 . 1 . . . . 21 LEU MD1 . 15951 1 224 . 1 1 21 21 LEU HD13 H 1 0.89 0.01 . 1 . . . . 21 LEU MD1 . 15951 1 225 . 1 1 21 21 LEU HD21 H 1 0.89 0.01 . 1 . . . . 21 LEU MD2 . 15951 1 226 . 1 1 21 21 LEU HD22 H 1 0.89 0.01 . 1 . . . . 21 LEU MD2 . 15951 1 227 . 1 1 21 21 LEU HD23 H 1 0.89 0.01 . 1 . . . . 21 LEU MD2 . 15951 1 228 . 1 1 21 21 LEU CA C 13 57.16 0.01 . 1 . . . . 21 LEU CA . 15951 1 229 . 1 1 21 21 LEU CB C 13 43.23 0.01 . 1 . . . . 21 LEU CB . 15951 1 230 . 1 1 22 22 ALA H H 1 7.79 0.01 . 1 . . . . 22 ALA H . 15951 1 231 . 1 1 22 22 ALA HA H 1 4.36 0.01 . 1 . . . . 22 ALA HA . 15951 1 232 . 1 1 22 22 ALA HB1 H 1 1.53 0.01 . 1 . . . . 22 ALA MB . 15951 1 233 . 1 1 22 22 ALA HB2 H 1 1.53 0.01 . 1 . . . . 22 ALA MB . 15951 1 234 . 1 1 22 22 ALA HB3 H 1 1.53 0.01 . 1 . . . . 22 ALA MB . 15951 1 235 . 1 1 22 22 ALA CA C 13 53.81 0.01 . 1 . . . . 22 ALA CA . 15951 1 236 . 1 1 22 22 ALA CB C 13 19.99 0.01 . 1 . . . . 22 ALA CB . 15951 1 237 . 1 1 23 23 LEU H H 1 7.62 0.01 . 1 . . . . 23 LEU H . 15951 1 238 . 1 1 23 23 LEU HA H 1 4.61 0.01 . 1 . . . . 23 LEU HA . 15951 1 239 . 1 1 23 23 LEU HB2 H 1 1.86 0.01 . 2 . . . . 23 LEU HB2 . 15951 1 240 . 1 1 23 23 LEU HB3 H 1 1.51 0.01 . 2 . . . . 23 LEU HB3 . 15951 1 241 . 1 1 23 23 LEU HD11 H 1 0.95 0.01 . 2 . . . . 23 LEU MD1 . 15951 1 242 . 1 1 23 23 LEU HD12 H 1 0.95 0.01 . 2 . . . . 23 LEU MD1 . 15951 1 243 . 1 1 23 23 LEU HD13 H 1 0.95 0.01 . 2 . . . . 23 LEU MD1 . 15951 1 244 . 1 1 23 23 LEU HD21 H 1 0.92 0.01 . 2 . . . . 23 LEU MD2 . 15951 1 245 . 1 1 23 23 LEU HD22 H 1 0.92 0.01 . 2 . . . . 23 LEU MD2 . 15951 1 246 . 1 1 23 23 LEU HD23 H 1 0.92 0.01 . 2 . . . . 23 LEU MD2 . 15951 1 247 . 1 1 23 23 LEU HG H 1 1.94 0.01 . 1 . . . . 23 LEU HG . 15951 1 248 . 1 1 23 23 LEU CA C 13 54.62 0.01 . 1 . . . . 23 LEU CA . 15951 1 249 . 1 1 23 23 LEU CB C 13 42.71 0.01 . 1 . . . . 23 LEU CB . 15951 1 250 . 1 1 23 23 LEU CG C 13 27.63 0.01 . 1 . . . . 23 LEU CG . 15951 1 251 . 1 1 24 24 PRO HA H 1 4.71 0.01 . 1 . . . . 24 PRO HA . 15951 1 252 . 1 1 24 24 PRO HB2 H 1 2.38 0.01 . 2 . . . . 24 PRO HB2 . 15951 1 253 . 1 1 24 24 PRO HB3 H 1 1.94 0.01 . 2 . . . . 24 PRO HB3 . 15951 1 254 . 1 1 24 24 PRO HD2 H 1 3.93 0.01 . 2 . . . . 24 PRO HD2 . 15951 1 255 . 1 1 24 24 PRO HD3 H 1 3.59 0.01 . 2 . . . . 24 PRO HD3 . 15951 1 256 . 1 1 24 24 PRO HG2 H 1 2.12 0.01 . 2 . . . . 24 PRO HG2 . 15951 1 257 . 1 1 24 24 PRO HG3 H 1 2.10 0.01 . 2 . . . . 24 PRO HG3 . 15951 1 258 . 1 1 24 24 PRO CB C 13 31.47 0.01 . 1 . . . . 24 PRO CB . 15951 1 259 . 1 1 24 24 PRO CD C 13 51.11 0.01 . 1 . . . . 24 PRO CD . 15951 1 260 . 1 1 25 25 PRO HA H 1 4.36 0.01 . 1 . . . . 25 PRO HA . 15951 1 261 . 1 1 25 25 PRO HB2 H 1 2.31 0.01 . 2 . . . . 25 PRO HB2 . 15951 1 262 . 1 1 25 25 PRO HB3 H 1 1.93 0.01 . 2 . . . . 25 PRO HB3 . 15951 1 263 . 1 1 25 25 PRO HD2 H 1 3.86 0.01 . 2 . . . . 25 PRO HD2 . 15951 1 264 . 1 1 25 25 PRO HD3 H 1 3.65 0.01 . 2 . . . . 25 PRO HD3 . 15951 1 265 . 1 1 25 25 PRO HG2 H 1 2.09 0.01 . 1 . . . . 25 PRO HG2 . 15951 1 266 . 1 1 25 25 PRO HG3 H 1 2.09 0.01 . 1 . . . . 25 PRO HG3 . 15951 1 267 . 1 1 25 25 PRO CA C 13 64.80 0.01 . 1 . . . . 25 PRO CA . 15951 1 268 . 1 1 25 25 PRO CB C 13 32.51 0.01 . 1 . . . . 25 PRO CB . 15951 1 269 . 1 1 25 25 PRO CD C 13 51.19 0.01 . 1 . . . . 25 PRO CD . 15951 1 270 . 1 1 26 26 ARG H H 1 7.83 0.01 . 1 . . . . 26 ARG H . 15951 1 271 . 1 1 26 26 ARG HA H 1 4.26 0.01 . 1 . . . . 26 ARG HA . 15951 1 272 . 1 1 26 26 ARG HB2 H 1 1.83 0.01 . 2 . . . . 26 ARG HB2 . 15951 1 273 . 1 1 26 26 ARG HB3 H 1 1.80 0.01 . 2 . . . . 26 ARG HB3 . 15951 1 274 . 1 1 26 26 ARG HD2 H 1 3.21 0.01 . 1 . . . . 26 ARG HD2 . 15951 1 275 . 1 1 26 26 ARG HD3 H 1 3.21 0.01 . 1 . . . . 26 ARG HD3 . 15951 1 276 . 1 1 26 26 ARG HE H 1 7.15 0.01 . 1 . . . . 26 ARG HE . 15951 1 277 . 1 1 26 26 ARG HG2 H 1 1.67 0.01 . 1 . . . . 26 ARG HG2 . 15951 1 278 . 1 1 26 26 ARG HG3 H 1 1.67 0.01 . 1 . . . . 26 ARG HG3 . 15951 1 279 . 1 1 26 26 ARG CA C 13 57.27 0.01 . 1 . . . . 26 ARG CA . 15951 1 280 . 1 1 26 26 ARG CB C 13 31.63 0.01 . 1 . . . . 26 ARG CB . 15951 1 281 . 1 1 26 26 ARG CD C 13 44.18 0.01 . 1 . . . . 26 ARG CD . 15951 1 282 . 1 1 26 26 ARG CG C 13 27.01 0.01 . 1 . . . . 26 ARG CG . 15951 1 283 . 1 1 27 27 ALA H H 1 8.03 0.01 . 1 . . . . 27 ALA H . 15951 1 284 . 1 1 27 27 ALA HA H 1 4.27 0.01 . 1 . . . . 27 ALA HA . 15951 1 285 . 1 1 27 27 ALA HB1 H 1 1.36 0.01 . 1 . . . . 27 ALA MB . 15951 1 286 . 1 1 27 27 ALA HB2 H 1 1.36 0.01 . 1 . . . . 27 ALA MB . 15951 1 287 . 1 1 27 27 ALA HB3 H 1 1.36 0.01 . 1 . . . . 27 ALA MB . 15951 1 288 . 1 1 27 27 ALA CA C 13 53.88 0.01 . 1 . . . . 27 ALA CA . 15951 1 289 . 1 1 27 27 ALA CB C 13 19.92 0.01 . 1 . . . . 27 ALA CB . 15951 1 290 . 1 1 28 28 TYR H H 1 7.58 0.01 . 1 . . . . 28 TYR H . 15951 1 291 . 1 1 28 28 TYR HA H 1 4.62 0.01 . 1 . . . . 28 TYR HA . 15951 1 292 . 1 1 28 28 TYR HB2 H 1 3.10 0.01 . 2 . . . . 28 TYR HB2 . 15951 1 293 . 1 1 28 28 TYR HB3 H 1 3.00 0.01 . 2 . . . . 28 TYR HB3 . 15951 1 294 . 1 1 28 28 TYR HD1 H 1 7.11 0.01 . 1 . . . . 28 TYR HD1 . 15951 1 295 . 1 1 28 28 TYR HD2 H 1 7.11 0.01 . 1 . . . . 28 TYR HD2 . 15951 1 296 . 1 1 28 28 TYR HE1 H 1 6.84 0.01 . 1 . . . . 28 TYR HE1 . 15951 1 297 . 1 1 28 28 TYR HE2 H 1 6.84 0.01 . 1 . . . . 28 TYR HE2 . 15951 1 298 . 1 1 28 28 TYR CA C 13 58.24 0.01 . 1 . . . . 28 TYR CA . 15951 1 299 . 1 1 28 28 TYR CB C 13 39.91 0.01 . 1 . . . . 28 TYR CB . 15951 1 300 . 1 1 28 28 TYR CD1 C 13 133.78 0.01 . 1 . . . . 28 TYR CD1 . 15951 1 301 . 1 1 28 28 TYR CD2 C 13 133.78 0.01 . 1 . . . . 28 TYR CD2 . 15951 1 302 . 1 1 28 28 TYR CE1 C 13 119.05 0.01 . 1 . . . . 28 TYR CE1 . 15951 1 303 . 1 1 28 28 TYR CE2 C 13 119.05 0.01 . 1 . . . . 28 TYR CE2 . 15951 1 304 . 1 1 29 29 ALA H H 1 7.76 0.01 . 1 . . . . 29 ALA H . 15951 1 305 . 1 1 29 29 ALA HA H 1 4.38 0.01 . 1 . . . . 29 ALA HA . 15951 1 306 . 1 1 29 29 ALA HB1 H 1 1.43 0.01 . 1 . . . . 29 ALA MB . 15951 1 307 . 1 1 29 29 ALA HB2 H 1 1.43 0.01 . 1 . . . . 29 ALA MB . 15951 1 308 . 1 1 29 29 ALA HB3 H 1 1.43 0.01 . 1 . . . . 29 ALA MB . 15951 1 309 . 1 1 29 29 ALA CA C 13 52.59 0.01 . 1 . . . . 29 ALA CA . 15951 1 310 . 1 1 29 29 ALA CB C 13 19.87 0.01 . 1 . . . . 29 ALA CB . 15951 1 stop_ save_