################################### # 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 16886 _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' . . . 16886 1 3 '2D 1H-13C HSQC' . . . 16886 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $Sparky . . 16886 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 LYS HA H 1 4.13 0.01 . 1 . . . . 27 LYS HA . 16886 1 2 . 1 1 1 1 LYS HB2 H 1 1.97 0.01 . 1 . . . . 27 LYS HB2 . 16886 1 3 . 1 1 1 1 LYS HB3 H 1 1.97 0.01 . 1 . . . . 27 LYS HB3 . 16886 1 4 . 1 1 1 1 LYS HD2 H 1 1.80 0.01 . 1 . . . . 27 LYS HD2 . 16886 1 5 . 1 1 1 1 LYS HD3 H 1 1.80 0.01 . 1 . . . . 27 LYS HD3 . 16886 1 6 . 1 1 1 1 LYS HE2 H 1 3.07 0.01 . 1 . . . . 27 LYS HE2 . 16886 1 7 . 1 1 1 1 LYS HE3 H 1 3.07 0.01 . 1 . . . . 27 LYS HE3 . 16886 1 8 . 1 1 1 1 LYS HG2 H 1 1.56 0.01 . 1 . . . . 27 LYS HG2 . 16886 1 9 . 1 1 1 1 LYS HG3 H 1 1.56 0.01 . 1 . . . . 27 LYS HG3 . 16886 1 10 . 1 1 1 1 LYS HZ1 H 1 7.67 0.01 . 1 . . . . 27 LYS HZ . 16886 1 11 . 1 1 1 1 LYS HZ2 H 1 7.67 0.01 . 1 . . . . 27 LYS HZ . 16886 1 12 . 1 1 1 1 LYS HZ3 H 1 7.67 0.01 . 1 . . . . 27 LYS HZ . 16886 1 13 . 1 1 1 1 LYS CA C 13 56.62 0.01 . 1 . . . . 27 LYS CA . 16886 1 14 . 1 1 1 1 LYS CB C 13 34.12 0.01 . 1 . . . . 27 LYS CB . 16886 1 15 . 1 1 1 1 LYS CD C 13 29.81 0.01 . 1 . . . . 27 LYS CD . 16886 1 16 . 1 1 1 1 LYS CE C 13 42.79 0.01 . 1 . . . . 27 LYS CE . 16886 1 17 . 1 1 1 1 LYS CG C 13 24.96 0.01 . 1 . . . . 27 LYS CG . 16886 1 18 . 1 1 2 2 LEU H H 1 8.72 0.01 . 1 . . . . 28 LEU H . 16886 1 19 . 1 1 2 2 LEU HA H 1 4.46 0.01 . 1 . . . . 28 LEU HA . 16886 1 20 . 1 1 2 2 LEU HB2 H 1 1.73 0.01 . 1 . . . . 28 LEU HB2 . 16886 1 21 . 1 1 2 2 LEU HB3 H 1 1.73 0.01 . 1 . . . . 28 LEU HB3 . 16886 1 22 . 1 1 2 2 LEU HD11 H 1 0.99 0.01 . 1 . . . . 28 LEU HD1 . 16886 1 23 . 1 1 2 2 LEU HD12 H 1 0.99 0.01 . 1 . . . . 28 LEU HD1 . 16886 1 24 . 1 1 2 2 LEU HD13 H 1 0.99 0.01 . 1 . . . . 28 LEU HD1 . 16886 1 25 . 1 1 2 2 LEU HD21 H 1 0.99 0.01 . 1 . . . . 28 LEU HD2 . 16886 1 26 . 1 1 2 2 LEU HD22 H 1 0.99 0.01 . 1 . . . . 28 LEU HD2 . 16886 1 27 . 1 1 2 2 LEU HD23 H 1 0.99 0.01 . 1 . . . . 28 LEU HD2 . 16886 1 28 . 1 1 2 2 LEU CA C 13 56.66 0.06 . 1 . . . . 28 LEU CA . 16886 1 29 . 1 1 2 2 LEU CB C 13 43.22 0.01 . 1 . . . . 28 LEU CB . 16886 1 30 . 1 1 3 3 PHE H H 1 8.32 0.01 . 1 . . . . 29 PHE H . 16886 1 31 . 1 1 3 3 PHE HA H 1 4.59 0.01 . 1 . . . . 29 PHE HA . 16886 1 32 . 1 1 3 3 PHE HB2 H 1 3.21 0.01 . 2 . . . . 29 PHE HB2 . 16886 1 33 . 1 1 3 3 PHE HB3 H 1 3.25 0.01 . 2 . . . . 29 PHE HB3 . 16886 1 34 . 1 1 3 3 PHE HD1 H 1 7.31 0.01 . 1 . . . . 29 PHE HD1 . 16886 1 35 . 1 1 3 3 PHE HD2 H 1 7.31 0.01 . 1 . . . . 29 PHE HD2 . 16886 1 36 . 1 1 3 3 PHE CB C 13 39.80 0.03 . 1 . . . . 29 PHE CB . 16886 1 37 . 1 1 3 3 PHE CD1 C 13 132.5 0.01 . 1 . . . . 29 PHE CD1 . 16886 1 38 . 1 1 3 3 PHE CD2 C 13 132.5 0.01 . 1 . . . . 29 PHE CD2 . 16886 1 39 . 1 1 4 4 LEU H H 1 7.67 0.01 . 1 . . . . 30 LEU H . 16886 1 40 . 1 1 4 4 LEU HA H 1 4.14 0.01 . 1 . . . . 30 LEU HA . 16886 1 41 . 1 1 4 4 LEU HB2 H 1 1.66 0.01 . 2 . . . . 30 LEU HB2 . 16886 1 42 . 1 1 4 4 LEU HB3 H 1 1.71 0.01 . 2 . . . . 30 LEU HB3 . 16886 1 43 . 1 1 4 4 LEU HD11 H 1 1.03 0.01 . 1 . . . . 30 LEU HD1 . 16886 1 44 . 1 1 4 4 LEU HD12 H 1 1.03 0.01 . 1 . . . . 30 LEU HD1 . 16886 1 45 . 1 1 4 4 LEU HD13 H 1 1.03 0.01 . 1 . . . . 30 LEU HD1 . 16886 1 46 . 1 1 4 4 LEU HD21 H 1 1.03 0.01 . 1 . . . . 30 LEU HD2 . 16886 1 47 . 1 1 4 4 LEU HD22 H 1 1.03 0.01 . 1 . . . . 30 LEU HD2 . 16886 1 48 . 1 1 4 4 LEU HD23 H 1 1.03 0.01 . 1 . . . . 30 LEU HD2 . 16886 1 49 . 1 1 4 4 LEU CA C 13 58.37 0.01 . 1 . . . . 30 LEU CA . 16886 1 50 . 1 1 4 4 LEU CB C 13 43.17 0.01 . 1 . . . . 30 LEU CB . 16886 1 51 . 1 1 4 4 LEU CD1 C 13 24.29 0.01 . 1 . . . . 30 LEU CD1 . 16886 1 52 . 1 1 4 4 LEU CD2 C 13 24.29 0.01 . 1 . . . . 30 LEU CD2 . 16886 1 53 . 1 1 5 5 ALA H H 1 7.61 0.01 . 1 . . . . 31 ALA H . 16886 1 54 . 1 1 5 5 ALA HA H 1 4.06 0.01 . 1 . . . . 31 ALA HA . 16886 1 55 . 1 1 5 5 ALA HB1 H 1 1.45 0.01 . 1 . . . . 31 ALA HB . 16886 1 56 . 1 1 5 5 ALA HB2 H 1 1.45 0.01 . 1 . . . . 31 ALA HB . 16886 1 57 . 1 1 5 5 ALA HB3 H 1 1.45 0.01 . 1 . . . . 31 ALA HB . 16886 1 58 . 1 1 5 5 ALA CA C 13 56.15 0.01 . 1 . . . . 31 ALA CA . 16886 1 59 . 1 1 5 5 ALA CB C 13 18.79 0.01 . 1 . . . . 31 ALA CB . 16886 1 60 . 1 1 6 6 ARG H H 1 7.60 0.01 . 1 . . . . 32 ARG H . 16886 1 61 . 1 1 6 6 ARG HA H 1 4.20 0.01 . 1 . . . . 32 ARG HA . 16886 1 62 . 1 1 6 6 ARG HB2 H 1 1.97 0.01 . 1 . . . . 32 ARG HB2 . 16886 1 63 . 1 1 6 6 ARG HB3 H 1 1.97 0.01 . 1 . . . . 32 ARG HB3 . 16886 1 64 . 1 1 6 6 ARG HD2 H 1 3.22 0.01 . 1 . . . . 32 ARG HD2 . 16886 1 65 . 1 1 6 6 ARG HD3 H 1 3.22 0.01 . 1 . . . . 32 ARG HD3 . 16886 1 66 . 1 1 6 6 ARG HE H 1 7.16 0.01 . 1 . . . . 32 ARG HE . 16886 1 67 . 1 1 6 6 ARG HG2 H 1 1.76 0.01 . 2 . . . . 32 ARG HG2 . 16886 1 68 . 1 1 6 6 ARG HG3 H 1 1.84 0.01 . 2 . . . . 32 ARG HG3 . 16886 1 69 . 1 1 6 6 ARG CA C 13 59.63 0.01 . 1 . . . . 32 ARG CA . 16886 1 70 . 1 1 6 6 ARG CB C 13 30.92 0.01 . 1 . . . . 32 ARG CB . 16886 1 71 . 1 1 6 6 ARG CD C 13 44.18 0.01 . 1 . . . . 32 ARG CD . 16886 1 72 . 1 1 6 6 ARG CG C 13 28.25 0.01 . 1 . . . . 32 ARG CG . 16886 1 73 . 1 1 7 7 LEU H H 1 7.69 0.01 . 1 . . . . 33 LEU H . 16886 1 74 . 1 1 7 7 LEU HA H 1 4.41 0.01 . 1 . . . . 33 LEU HA . 16886 1 75 . 1 1 7 7 LEU HB2 H 1 2.00 0.01 . 1 . . . . 33 LEU HB2 . 16886 1 76 . 1 1 7 7 LEU HB3 H 1 2.00 0.01 . 1 . . . . 33 LEU HB3 . 16886 1 77 . 1 1 7 7 LEU HD11 H 1 0.96 0.01 . 1 . . . . 33 LEU HD1 . 16886 1 78 . 1 1 7 7 LEU HD12 H 1 0.96 0.01 . 1 . . . . 33 LEU HD1 . 16886 1 79 . 1 1 7 7 LEU HD13 H 1 0.96 0.01 . 1 . . . . 33 LEU HD1 . 16886 1 80 . 1 1 7 7 LEU HD21 H 1 0.96 0.01 . 1 . . . . 33 LEU HD2 . 16886 1 81 . 1 1 7 7 LEU HD22 H 1 0.96 0.01 . 1 . . . . 33 LEU HD2 . 16886 1 82 . 1 1 7 7 LEU HD23 H 1 0.96 0.01 . 1 . . . . 33 LEU HD2 . 16886 1 83 . 1 1 7 7 LEU CA C 13 58.85 0.01 . 1 . . . . 33 LEU CA . 16886 1 84 . 1 1 7 7 LEU CB C 13 42.94 0.01 . 1 . . . . 33 LEU CB . 16886 1 85 . 1 1 8 8 ILE H H 1 8.20 0.01 . 1 . . . . 34 ILE H . 16886 1 86 . 1 1 8 8 ILE HA H 1 3.84 0.01 . 1 . . . . 34 ILE HA . 16886 1 87 . 1 1 8 8 ILE HB H 1 2.00 0.01 . 1 . . . . 34 ILE HB . 16886 1 88 . 1 1 8 8 ILE HD11 H 1 0.89 0.01 . 1 . . . . 34 ILE HD1 . 16886 1 89 . 1 1 8 8 ILE HD12 H 1 0.89 0.01 . 1 . . . . 34 ILE HD1 . 16886 1 90 . 1 1 8 8 ILE HD13 H 1 0.89 0.01 . 1 . . . . 34 ILE HD1 . 16886 1 91 . 1 1 8 8 ILE HG12 H 1 1.32 0.01 . 2 . . . . 34 ILE HG12 . 16886 1 92 . 1 1 8 8 ILE HG13 H 1 1.75 0.01 . 2 . . . . 34 ILE HG13 . 16886 1 93 . 1 1 8 8 ILE HG21 H 1 0.98 0.01 . 1 . . . . 34 ILE HG2 . 16886 1 94 . 1 1 8 8 ILE HG22 H 1 0.98 0.01 . 1 . . . . 34 ILE HG2 . 16886 1 95 . 1 1 8 8 ILE HG23 H 1 0.98 0.01 . 1 . . . . 34 ILE HG2 . 16886 1 96 . 1 1 8 8 ILE CA C 13 65.76 0.01 . 1 . . . . 34 ILE CA . 16886 1 97 . 1 1 8 8 ILE CB C 13 38.42 0.01 . 1 . . . . 34 ILE CB . 16886 1 98 . 1 1 8 8 ILE CD1 C 13 13.03 0.01 . 1 . . . . 34 ILE CD1 . 16886 1 99 . 1 1 8 8 ILE CG1 C 13 29.69 0.02 . 1 . . . . 34 ILE CG1 . 16886 1 100 . 1 1 8 8 ILE CG2 C 13 17.77 0.01 . 1 . . . . 34 ILE CG2 . 16886 1 101 . 1 1 9 9 TRP H H 1 8.14 0.01 . 1 . . . . 35 TRP H . 16886 1 102 . 1 1 9 9 TRP HA H 1 4.21 0.01 . 1 . . . . 35 TRP HA . 16886 1 103 . 1 1 9 9 TRP HB2 H 1 3.42 0.01 . 2 . . . . 35 TRP HB2 . 16886 1 104 . 1 1 9 9 TRP HB3 H 1 3.53 0.01 . 2 . . . . 35 TRP HB3 . 16886 1 105 . 1 1 9 9 TRP HD1 H 1 7.05 0.01 . 1 . . . . 35 TRP HD1 . 16886 1 106 . 1 1 9 9 TRP HE1 H 1 9.43 0.01 . 1 . . . . 35 TRP HE1 . 16886 1 107 . 1 1 9 9 TRP HE3 H 1 7.11 0.01 . 1 . . . . 35 TRP HE3 . 16886 1 108 . 1 1 9 9 TRP HH2 H 1 6.83 0.01 . 1 . . . . 35 TRP HH2 . 16886 1 109 . 1 1 9 9 TRP HZ2 H 1 7.28 0.01 . 1 . . . . 35 TRP HZ2 . 16886 1 110 . 1 1 9 9 TRP HZ3 H 1 7.11 0.01 . 1 . . . . 35 TRP HZ3 . 16886 1 111 . 1 1 9 9 TRP CA C 13 62.92 0.01 . 1 . . . . 35 TRP CA . 16886 1 112 . 1 1 9 9 TRP CB C 13 29.80 0.01 . 1 . . . . 35 TRP CB . 16886 1 113 . 1 1 9 9 TRP CD1 C 13 127.35 0.01 . 1 . . . . 35 TRP CD1 . 16886 1 114 . 1 1 9 9 TRP CE3 C 13 121.4 0.01 . 1 . . . . 35 TRP CE3 . 16886 1 115 . 1 1 9 9 TRP CH2 C 13 125.1 0.01 . 1 . . . . 35 TRP CH2 . 16886 1 116 . 1 1 9 9 TRP CZ2 C 13 114.72 0.01 . 1 . . . . 35 TRP CZ2 . 16886 1 117 . 1 1 9 9 TRP CZ3 C 13 122.6 0.01 . 1 . . . . 35 TRP CZ3 . 16886 1 118 . 1 1 10 10 TRP H H 1 8.34 0.01 . 1 . . . . 36 TRP H . 16886 1 119 . 1 1 10 10 TRP HA H 1 4.37 0.01 . 1 . . . . 36 TRP HA . 16886 1 120 . 1 1 10 10 TRP HB2 H 1 3.56 0.01 . 1 . . . . 36 TRP HB2 . 16886 1 121 . 1 1 10 10 TRP HB3 H 1 3.56 0.01 . 1 . . . . 36 TRP HB3 . 16886 1 122 . 1 1 10 10 TRP HD1 H 1 7.33 0.01 . 1 . . . . 36 TRP HD1 . 16886 1 123 . 1 1 10 10 TRP HE1 H 1 9.51 0.01 . 1 . . . . 36 TRP HE1 . 16886 1 124 . 1 1 10 10 TRP HE3 H 1 7.58 0.01 . 1 . . . . 36 TRP HE3 . 16886 1 125 . 1 1 10 10 TRP HH2 H 1 7.11 0.01 . 1 . . . . 36 TRP HH2 . 16886 1 126 . 1 1 10 10 TRP HZ2 H 1 7.38 0.01 . 1 . . . . 36 TRP HZ2 . 16886 1 127 . 1 1 10 10 TRP HZ3 H 1 6.85 0.01 . 1 . . . . 36 TRP HZ3 . 16886 1 128 . 1 1 10 10 TRP CA C 13 61.83 0.01 . 1 . . . . 36 TRP CA . 16886 1 129 . 1 1 10 10 TRP CB C 13 29.95 0.01 . 1 . . . . 36 TRP CB . 16886 1 130 . 1 1 10 10 TRP CD1 C 13 127.50 0.01 . 1 . . . . 36 TRP CD1 . 16886 1 131 . 1 1 10 10 TRP CE3 C 13 122.0 0.01 . 1 . . . . 36 TRP CE3 . 16886 1 132 . 1 1 10 10 TRP CH2 C 13 125.2 0.01 . 1 . . . . 36 TRP CH2 . 16886 1 133 . 1 1 10 10 TRP CZ2 C 13 114.92 0.01 . 1 . . . . 36 TRP CZ2 . 16886 1 134 . 1 1 10 10 TRP CZ3 C 13 122.7 0.01 . 1 . . . . 36 TRP CZ3 . 16886 1 135 . 1 1 11 11 LEU H H 1 8.80 0.01 . 1 . . . . 37 LEU H . 16886 1 136 . 1 1 11 11 LEU HA H 1 4.18 0.01 . 1 . . . . 37 LEU HA . 16886 1 137 . 1 1 11 11 LEU HB2 H 1 1.72 0.01 . 2 . . . . 37 LEU HB2 . 16886 1 138 . 1 1 11 11 LEU HB3 H 1 2.01 0.01 . 2 . . . . 37 LEU HB3 . 16886 1 139 . 1 1 11 11 LEU HD11 H 1 1.00 0.01 . 1 . . . . 37 LEU HD1 . 16886 1 140 . 1 1 11 11 LEU HD12 H 1 1.00 0.01 . 1 . . . . 37 LEU HD1 . 16886 1 141 . 1 1 11 11 LEU HD13 H 1 1.00 0.01 . 1 . . . . 37 LEU HD1 . 16886 1 142 . 1 1 11 11 LEU HD21 H 1 1.00 0.01 . 1 . . . . 37 LEU HD2 . 16886 1 143 . 1 1 11 11 LEU HD22 H 1 1.00 0.01 . 1 . . . . 37 LEU HD2 . 16886 1 144 . 1 1 11 11 LEU HD23 H 1 1.00 0.01 . 1 . . . . 37 LEU HD2 . 16886 1 145 . 1 1 11 11 LEU CB C 13 42.89 0.01 . 1 . . . . 37 LEU CB . 16886 1 146 . 1 1 12 12 GLN H H 1 8.38 0.01 . 1 . . . . 38 GLN H . 16886 1 147 . 1 1 12 12 GLN HA H 1 3.97 0.01 . 1 . . . . 38 GLN HA . 16886 1 148 . 1 1 12 12 GLN HB2 H 1 2.00 0.01 . 2 . . . . 38 GLN HB2 . 16886 1 149 . 1 1 12 12 GLN HB3 H 1 2.22 0.01 . 2 . . . . 38 GLN HB3 . 16886 1 150 . 1 1 12 12 GLN HG2 H 1 2.24 0.01 . 2 . . . . 38 GLN HG2 . 16886 1 151 . 1 1 12 12 GLN HG3 H 1 2.63 0.01 . 2 . . . . 38 GLN HG3 . 16886 1 152 . 1 1 12 12 GLN CA C 13 60.24 0.01 . 1 . . . . 38 GLN CA . 16886 1 153 . 1 1 12 12 GLN CB C 13 29.08 0.02 . 1 . . . . 38 GLN CB . 16886 1 154 . 1 1 12 12 GLN CG C 13 35.08 0.01 . 1 . . . . 38 GLN CG . 16886 1 155 . 1 1 13 13 TYR H H 1 8.20 0.01 . 1 . . . . 39 TYR H . 16886 1 156 . 1 1 13 13 TYR HA H 1 3.85 0.01 . 1 . . . . 39 TYR HA . 16886 1 157 . 1 1 13 13 TYR HB2 H 1 2.35 0.01 . 2 . . . . 39 TYR HB2 . 16886 1 158 . 1 1 13 13 TYR HB3 H 1 2.95 0.01 . 2 . . . . 39 TYR HB3 . 16886 1 159 . 1 1 13 13 TYR HD1 H 1 6.72 0.01 . 1 . . . . 39 TYR HD1 . 16886 1 160 . 1 1 13 13 TYR HD2 H 1 6.72 0.01 . 1 . . . . 39 TYR HD2 . 16886 1 161 . 1 1 13 13 TYR HE1 H 1 6.76 0.01 . 1 . . . . 39 TYR HE1 . 16886 1 162 . 1 1 13 13 TYR HE2 H 1 6.76 0.01 . 1 . . . . 39 TYR HE2 . 16886 1 163 . 1 1 13 13 TYR CA C 13 62.39 0.01 . 1 . . . . 39 TYR CA . 16886 1 164 . 1 1 13 13 TYR CB C 13 38.76 0.01 . 1 . . . . 39 TYR CB . 16886 1 165 . 1 1 13 13 TYR CD1 C 13 134.1 0.01 . 1 . . . . 39 TYR CD1 . 16886 1 166 . 1 1 13 13 TYR CD2 C 13 134.1 0.01 . 1 . . . . 39 TYR CD2 . 16886 1 167 . 1 1 13 13 TYR CE1 C 13 118.4 0.01 . 1 . . . . 39 TYR CE1 . 16886 1 168 . 1 1 13 13 TYR CE2 C 13 118.4 0.01 . 1 . . . . 39 TYR CE2 . 16886 1 169 . 1 1 14 14 PHE H H 1 8.68 0.01 . 1 . . . . 40 PHE H . 16886 1 170 . 1 1 14 14 PHE HA H 1 3.98 0.01 . 1 . . . . 40 PHE HA . 16886 1 171 . 1 1 14 14 PHE HB2 H 1 2.84 0.01 . 2 . . . . 40 PHE HB2 . 16886 1 172 . 1 1 14 14 PHE HB3 H 1 3.09 0.01 . 2 . . . . 40 PHE HB3 . 16886 1 173 . 1 1 14 14 PHE HD1 H 1 7.24 0.01 . 1 . . . . 40 PHE HD1 . 16886 1 174 . 1 1 14 14 PHE HD2 H 1 7.24 0.01 . 1 . . . . 40 PHE HD2 . 16886 1 175 . 1 1 14 14 PHE CA C 13 62.66 0.01 . 1 . . . . 40 PHE CA . 16886 1 176 . 1 1 14 14 PHE CB C 13 39.72 0.01 . 1 . . . . 40 PHE CB . 16886 1 177 . 1 1 14 14 PHE CD1 C 13 132.5 0.01 . 1 . . . . 40 PHE CD1 . 16886 1 178 . 1 1 14 14 PHE CD2 C 13 132.5 0.01 . 1 . . . . 40 PHE CD2 . 16886 1 179 . 1 1 15 15 ILE H H 1 8.83 0.01 . 1 . . . . 41 ILE H . 16886 1 180 . 1 1 15 15 ILE HA H 1 3.67 0.01 . 1 . . . . 41 ILE HA . 16886 1 181 . 1 1 15 15 ILE HB H 1 1.94 0.01 . 1 . . . . 41 ILE HB . 16886 1 182 . 1 1 15 15 ILE HD11 H 1 0.88 0.01 . 1 . . . . 41 ILE HD1 . 16886 1 183 . 1 1 15 15 ILE HD12 H 1 0.88 0.01 . 1 . . . . 41 ILE HD1 . 16886 1 184 . 1 1 15 15 ILE HD13 H 1 0.88 0.01 . 1 . . . . 41 ILE HD1 . 16886 1 185 . 1 1 15 15 ILE HG12 H 1 1.22 0.01 . 2 . . . . 41 ILE HG12 . 16886 1 186 . 1 1 15 15 ILE HG13 H 1 1.91 0.01 . 2 . . . . 41 ILE HG13 . 16886 1 187 . 1 1 15 15 ILE HG21 H 1 0.91 0.01 . 1 . . . . 41 ILE HG2 . 16886 1 188 . 1 1 15 15 ILE HG22 H 1 0.91 0.01 . 1 . . . . 41 ILE HG2 . 16886 1 189 . 1 1 15 15 ILE HG23 H 1 0.91 0.01 . 1 . . . . 41 ILE HG2 . 16886 1 190 . 1 1 15 15 ILE CA C 13 66.19 0.01 . 1 . . . . 41 ILE CA . 16886 1 191 . 1 1 15 15 ILE CB C 13 38.88 0.01 . 1 . . . . 41 ILE CB . 16886 1 192 . 1 1 15 15 ILE CD1 C 13 12.68 0.01 . 1 . . . . 41 ILE CD1 . 16886 1 193 . 1 1 15 15 ILE CG1 C 13 30.08 0.01 . 1 . . . . 41 ILE CG1 . 16886 1 194 . 1 1 15 15 ILE CG2 C 13 17.59 0.01 . 1 . . . . 41 ILE CG2 . 16886 1 195 . 1 1 16 16 THR H H 1 8.00 0.01 . 1 . . . . 42 THR H . 16886 1 196 . 1 1 16 16 THR HA H 1 3.93 0.01 . 1 . . . . 42 THR HA . 16886 1 197 . 1 1 16 16 THR HB H 1 4.19 0.01 . 1 . . . . 42 THR HB . 16886 1 198 . 1 1 16 16 THR HG21 H 1 1.26 0.01 . 1 . . . . 42 THR HG2 . 16886 1 199 . 1 1 16 16 THR HG22 H 1 1.26 0.01 . 1 . . . . 42 THR HG2 . 16886 1 200 . 1 1 16 16 THR HG23 H 1 1.26 0.01 . 1 . . . . 42 THR HG2 . 16886 1 201 . 1 1 16 16 THR CA C 13 67.56 0.01 . 1 . . . . 42 THR CA . 16886 1 202 . 1 1 16 16 THR CB C 13 69.89 0.01 . 1 . . . . 42 THR CB . 16886 1 203 . 1 1 16 16 THR CG2 C 13 21.86 0.01 . 1 . . . . 42 THR CG2 . 16886 1 204 . 1 1 17 17 ARG H H 1 7.79 0.01 . 1 . . . . 43 ARG H . 16886 1 205 . 1 1 17 17 ARG HA H 1 3.94 0.01 . 1 . . . . 43 ARG HA . 16886 1 206 . 1 1 17 17 ARG HB2 H 1 1.66 0.01 . 2 . . . . 43 ARG HB2 . 16886 1 207 . 1 1 17 17 ARG HB3 H 1 1.72 0.01 . 2 . . . . 43 ARG HB3 . 16886 1 208 . 1 1 17 17 ARG HD2 H 1 2.87 0.01 . 1 . . . . 43 ARG HD2 . 16886 1 209 . 1 1 17 17 ARG HD3 H 1 2.87 0.01 . 1 . . . . 43 ARG HD3 . 16886 1 210 . 1 1 17 17 ARG HE H 1 6.96 0.01 . 1 . . . . 43 ARG HE . 16886 1 211 . 1 1 17 17 ARG HG2 H 1 1.41 0.01 . 2 . . . . 43 ARG HG2 . 16886 1 212 . 1 1 17 17 ARG HG3 H 1 1.51 0.01 . 2 . . . . 43 ARG HG3 . 16886 1 213 . 1 1 17 17 ARG CA C 13 59.93 0.01 . 1 . . . . 43 ARG CA . 16886 1 214 . 1 1 17 17 ARG CB C 13 30.43 0.01 . 1 . . . . 43 ARG CB . 16886 1 215 . 1 1 17 17 ARG CD C 13 43.83 0.01 . 1 . . . . 43 ARG CD . 16886 1 216 . 1 1 17 17 ARG CG C 13 28.09 0.01 . 1 . . . . 43 ARG CG . 16886 1 217 . 1 1 18 18 ALA H H 1 8.21 0.01 . 1 . . . . 44 ALA H . 16886 1 218 . 1 1 18 18 ALA HA H 1 4.08 0.01 . 1 . . . . 44 ALA HA . 16886 1 219 . 1 1 18 18 ALA HB1 H 1 1.39 0.01 . 1 . . . . 44 ALA HB . 16886 1 220 . 1 1 18 18 ALA HB2 H 1 1.39 0.01 . 1 . . . . 44 ALA HB . 16886 1 221 . 1 1 18 18 ALA HB3 H 1 1.39 0.01 . 1 . . . . 44 ALA HB . 16886 1 222 . 1 1 18 18 ALA CA C 13 56.16 0.01 . 1 . . . . 44 ALA CA . 16886 1 223 . 1 1 18 18 ALA CB C 13 18.44 0.01 . 1 . . . . 44 ALA CB . 16886 1 224 . 1 1 19 19 GLU H H 1 8.47 0.01 . 1 . . . . 45 GLU H . 16886 1 225 . 1 1 19 19 GLU HA H 1 4.06 0.01 . 1 . . . . 45 GLU HA . 16886 1 226 . 1 1 19 19 GLU HB2 H 1 2.13 0.01 . 2 . . . . 45 GLU HB2 . 16886 1 227 . 1 1 19 19 GLU HB3 H 1 2.23 0.01 . 2 . . . . 45 GLU HB3 . 16886 1 228 . 1 1 19 19 GLU HG2 H 1 2.46 0.01 . 2 . . . . 45 GLU HG2 . 16886 1 229 . 1 1 19 19 GLU HG3 H 1 2.69 0.01 . 2 . . . . 45 GLU HG3 . 16886 1 230 . 1 1 19 19 GLU CA C 13 59.35 0.01 . 1 . . . . 45 GLU CA . 16886 1 231 . 1 1 19 19 GLU CB C 13 28.87 0.05 . 1 . . . . 45 GLU CB . 16886 1 232 . 1 1 19 19 GLU CG C 13 33.87 0.04 . 1 . . . . 45 GLU CG . 16886 1 233 . 1 1 20 20 ALA H H 1 7.91 0.01 . 1 . . . . 46 ALA H . 16886 1 234 . 1 1 20 20 ALA HA H 1 4.19 0.01 . 1 . . . . 46 ALA HA . 16886 1 235 . 1 1 20 20 ALA HB1 H 1 1.45 0.01 . 1 . . . . 46 ALA HB . 16886 1 236 . 1 1 20 20 ALA HB2 H 1 1.45 0.01 . 1 . . . . 46 ALA HB . 16886 1 237 . 1 1 20 20 ALA HB3 H 1 1.45 0.01 . 1 . . . . 46 ALA HB . 16886 1 238 . 1 1 20 20 ALA CA C 13 54.90 0.01 . 1 . . . . 46 ALA CA . 16886 1 239 . 1 1 20 20 ALA CB C 13 18.78 0.01 . 1 . . . . 46 ALA CB . 16886 1 240 . 1 1 21 21 HIS H H 1 7.88 0.01 . 1 . . . . 47 HIS H . 16886 1 241 . 1 1 21 21 HIS HA H 1 4.51 0.01 . 1 . . . . 47 HIS HA . 16886 1 242 . 1 1 21 21 HIS HB2 H 1 3.31 0.01 . 2 . . . . 47 HIS HB2 . 16886 1 243 . 1 1 21 21 HIS HB3 H 1 3.38 0.01 . 2 . . . . 47 HIS HB3 . 16886 1 244 . 1 1 21 21 HIS HD2 H 1 7.33 0.01 . 1 . . . . 47 HIS HD2 . 16886 1 245 . 1 1 21 21 HIS HE1 H 1 8.52 0.01 . 1 . . . . 47 HIS HE1 . 16886 1 246 . 1 1 21 21 HIS CA C 13 57.83 0.01 . 1 . . . . 47 HIS CA . 16886 1 247 . 1 1 21 21 HIS CB C 13 29.00 0.02 . 1 . . . . 47 HIS CB . 16886 1 248 . 1 1 21 21 HIS CD2 C 13 121.0 0.01 . 1 . . . . 47 HIS CD2 . 16886 1 249 . 1 1 21 21 HIS CE1 C 13 136.68 0.01 . 1 . . . . 47 HIS CE1 . 16886 1 250 . 1 1 22 22 LEU H H 1 7.98 0.01 . 1 . . . . 48 LEU H . 16886 1 251 . 1 1 22 22 LEU HA H 1 4.36 0.01 . 1 . . . . 48 LEU HA . 16886 1 252 . 1 1 22 22 LEU HB2 H 1 1.66 0.01 . 2 . . . . 48 LEU HB2 . 16886 1 253 . 1 1 22 22 LEU HB3 H 1 1.80 0.01 . 2 . . . . 48 LEU HB3 . 16886 1 254 . 1 1 22 22 LEU HD11 H 1 0.93 0.01 . 1 . . . . 48 LEU HD1 . 16886 1 255 . 1 1 22 22 LEU HD12 H 1 0.93 0.01 . 1 . . . . 48 LEU HD1 . 16886 1 256 . 1 1 22 22 LEU HD13 H 1 0.93 0.01 . 1 . . . . 48 LEU HD1 . 16886 1 257 . 1 1 22 22 LEU HD21 H 1 0.93 0.01 . 1 . . . . 48 LEU HD2 . 16886 1 258 . 1 1 22 22 LEU HD22 H 1 0.93 0.01 . 1 . . . . 48 LEU HD2 . 16886 1 259 . 1 1 22 22 LEU HD23 H 1 0.93 0.01 . 1 . . . . 48 LEU HD2 . 16886 1 260 . 1 1 22 22 LEU CA C 13 56.92 0.01 . 1 . . . . 48 LEU CA . 16886 1 261 . 1 1 22 22 LEU CB C 13 43.29 0.01 . 1 . . . . 48 LEU CB . 16886 1 262 . 1 1 23 23 GLN H H 1 7.96 0.01 . 1 . . . . 49 GLN H . 16886 1 263 . 1 1 23 23 GLN HA H 1 4.28 0.01 . 1 . . . . 49 GLN HA . 16886 1 264 . 1 1 23 23 GLN HB2 H 1 2.08 0.01 . 1 . . . . 49 GLN HB2 . 16886 1 265 . 1 1 23 23 GLN HB3 H 1 2.08 0.01 . 1 . . . . 49 GLN HB3 . 16886 1 266 . 1 1 23 23 GLN HE21 H 1 7.30 0.01 . 2 . . . . 49 GLN HE21 . 16886 1 267 . 1 1 23 23 GLN HE22 H 1 6.57 0.01 . 2 . . . . 49 GLN HE22 . 16886 1 268 . 1 1 23 23 GLN HG2 H 1 2.39 0.01 . 1 . . . . 49 GLN HG2 . 16886 1 269 . 1 1 23 23 GLN HG3 H 1 2.39 0.01 . 1 . . . . 49 GLN HG3 . 16886 1 270 . 1 1 23 23 GLN CA C 13 57.24 0.01 . 1 . . . . 49 GLN CA . 16886 1 271 . 1 1 23 23 GLN CB C 13 29.93 0.01 . 1 . . . . 49 GLN CB . 16886 1 272 . 1 1 23 23 GLN CG C 13 34.70 0.01 . 1 . . . . 49 GLN CG . 16886 1 273 . 1 1 24 24 VAL H H 1 7.63 0.01 . 1 . . . . 50 VAL H . 16886 1 274 . 1 1 24 24 VAL HA H 1 4.15 0.01 . 1 . . . . 50 VAL HA . 16886 1 275 . 1 1 24 24 VAL HB H 1 2.10 0.01 . 1 . . . . 50 VAL HB . 16886 1 276 . 1 1 24 24 VAL HG11 H 1 0.91 0.01 . 2 . . . . 50 VAL HG1 . 16886 1 277 . 1 1 24 24 VAL HG12 H 1 0.91 0.01 . 2 . . . . 50 VAL HG1 . 16886 1 278 . 1 1 24 24 VAL HG13 H 1 0.91 0.01 . 2 . . . . 50 VAL HG1 . 16886 1 279 . 1 1 24 24 VAL HG21 H 1 0.94 0.01 . 2 . . . . 50 VAL HG2 . 16886 1 280 . 1 1 24 24 VAL HG22 H 1 0.94 0.01 . 2 . . . . 50 VAL HG2 . 16886 1 281 . 1 1 24 24 VAL HG23 H 1 0.94 0.01 . 2 . . . . 50 VAL HG2 . 16886 1 282 . 1 1 24 24 VAL CA C 13 63.35 0.01 . 1 . . . . 50 VAL CA . 16886 1 283 . 1 1 24 24 VAL CB C 13 33.81 0.01 . 1 . . . . 50 VAL CB . 16886 1 284 . 1 1 24 24 VAL CG1 C 13 21.55 0.01 . 2 . . . . 50 VAL CG1 . 16886 1 285 . 1 1 24 24 VAL CG2 C 13 20.86 0.01 . 2 . . . . 50 VAL CG2 . 16886 1 286 . 1 1 25 25 TRP H H 1 7.88 0.01 . 1 . . . . 51 TRP H . 16886 1 287 . 1 1 25 25 TRP HA H 1 4.72 0.01 . 1 . . . . 51 TRP HA . 16886 1 288 . 1 1 25 25 TRP HB2 H 1 3.21 0.01 . 2 . . . . 51 TRP HB2 . 16886 1 289 . 1 1 25 25 TRP HB3 H 1 3.30 0.01 . 2 . . . . 51 TRP HB3 . 16886 1 290 . 1 1 25 25 TRP HD1 H 1 7.24 0.01 . 1 . . . . 51 TRP HD1 . 16886 1 291 . 1 1 25 25 TRP HE1 H 1 9.76 0.01 . 1 . . . . 51 TRP HE1 . 16886 1 292 . 1 1 25 25 TRP HE3 H 1 7.61 0.01 . 1 . . . . 51 TRP HE3 . 16886 1 293 . 1 1 25 25 TRP HH2 H 1 7.21 0.01 . 1 . . . . 51 TRP HH2 . 16886 1 294 . 1 1 25 25 TRP HZ2 H 1 7.45 0.01 . 1 . . . . 51 TRP HZ2 . 16886 1 295 . 1 1 25 25 TRP HZ3 H 1 7.11 0.01 . 1 . . . . 51 TRP HZ3 . 16886 1 296 . 1 1 25 25 TRP CB C 13 30.74 0.01 . 1 . . . . 51 TRP CB . 16886 1 297 . 1 1 25 25 TRP CD1 C 13 127.63 0.01 . 1 . . . . 51 TRP CD1 . 16886 1 298 . 1 1 25 25 TRP CE3 C 13 121.7 0.01 . 1 . . . . 51 TRP CE3 . 16886 1 299 . 1 1 25 25 TRP CH2 C 13 125.2 0.01 . 1 . . . . 51 TRP CH2 . 16886 1 300 . 1 1 25 25 TRP CZ2 C 13 114.90 0.01 . 1 . . . . 51 TRP CZ2 . 16886 1 301 . 1 1 25 25 TRP CZ3 C 13 122.6 0.01 . 1 . . . . 51 TRP CZ3 . 16886 1 302 . 1 1 26 26 ILE H H 1 7.38 0.01 . 1 . . . . 52 ILE H . 16886 1 303 . 1 1 26 26 ILE HA H 1 4.41 0.01 . 1 . . . . 52 ILE HA . 16886 1 304 . 1 1 26 26 ILE HB H 1 1.75 0.01 . 1 . . . . 52 ILE HB . 16886 1 305 . 1 1 26 26 ILE HD11 H 1 0.83 0.01 . 1 . . . . 52 ILE HD1 . 16886 1 306 . 1 1 26 26 ILE HD12 H 1 0.83 0.01 . 1 . . . . 52 ILE HD1 . 16886 1 307 . 1 1 26 26 ILE HD13 H 1 0.83 0.01 . 1 . . . . 52 ILE HD1 . 16886 1 308 . 1 1 26 26 ILE HG12 H 1 1.08 0.01 . 2 . . . . 52 ILE HG12 . 16886 1 309 . 1 1 26 26 ILE HG13 H 1 1.45 0.01 . 2 . . . . 52 ILE HG13 . 16886 1 310 . 1 1 26 26 ILE HG21 H 1 0.90 0.01 . 1 . . . . 52 ILE HG2 . 16886 1 311 . 1 1 26 26 ILE HG22 H 1 0.90 0.01 . 1 . . . . 52 ILE HG2 . 16886 1 312 . 1 1 26 26 ILE HG23 H 1 0.90 0.01 . 1 . . . . 52 ILE HG2 . 16886 1 313 . 1 1 26 26 ILE CA C 13 59.06 0.01 . 1 . . . . 52 ILE CA . 16886 1 314 . 1 1 26 26 ILE CB C 13 40.06 0.01 . 1 . . . . 52 ILE CB . 16886 1 315 . 1 1 26 26 ILE CD1 C 13 12.90 0.01 . 1 . . . . 52 ILE CD1 . 16886 1 316 . 1 1 26 26 ILE CG1 C 13 27.54 0.01 . 1 . . . . 52 ILE CG1 . 16886 1 317 . 1 1 26 26 ILE CG2 C 13 17.59 0.01 . 1 . . . . 52 ILE CG2 . 16886 1 318 . 1 1 27 27 PRO HA H 1 4.26 0.01 . 1 . . . . 53 PRO HA . 16886 1 319 . 1 1 27 27 PRO HB2 H 1 1.87 0.01 . 2 . . . . 53 PRO HB2 . 16886 1 320 . 1 1 27 27 PRO HB3 H 1 2.26 0.01 . 2 . . . . 53 PRO HB3 . 16886 1 321 . 1 1 27 27 PRO HD2 H 1 3.54 0.01 . 2 . . . . 53 PRO HD2 . 16886 1 322 . 1 1 27 27 PRO HD3 H 1 3.72 0.01 . 2 . . . . 53 PRO HD3 . 16886 1 323 . 1 1 27 27 PRO HG2 H 1 1.89 0.01 . 2 . . . . 53 PRO HG2 . 16886 1 324 . 1 1 27 27 PRO HG3 H 1 2.04 0.01 . 2 . . . . 53 PRO HG3 . 16886 1 325 . 1 1 27 27 PRO CA C 13 63.01 0.01 . 1 . . . . 53 PRO CA . 16886 1 326 . 1 1 27 27 PRO CB C 13 31.31 0.03 . 1 . . . . 53 PRO CB . 16886 1 327 . 1 1 27 27 PRO CD C 13 51.22 0.01 . 1 . . . . 53 PRO CD . 16886 1 328 . 1 1 27 27 PRO CG C 13 27.75 0.01 . 1 . . . . 53 PRO CG . 16886 1 329 . 1 1 28 28 PRO HA H 1 4.49 0.01 . 1 . . . . 54 PRO HA . 16886 1 330 . 1 1 28 28 PRO HB2 H 1 2.06 0.01 . 2 . . . . 54 PRO HB2 . 16886 1 331 . 1 1 28 28 PRO HB3 H 1 2.24 0.01 . 2 . . . . 54 PRO HB3 . 16886 1 332 . 1 1 28 28 PRO HD2 H 1 3.58 0.01 . 2 . . . . 54 PRO HD2 . 16886 1 333 . 1 1 28 28 PRO HD3 H 1 3.74 0.01 . 2 . . . . 54 PRO HD3 . 16886 1 334 . 1 1 28 28 PRO HG2 H 1 2.16 0.09 . 1 . . . . 54 PRO HG2 . 16886 1 335 . 1 1 28 28 PRO HG3 H 1 2.16 0.09 . 1 . . . . 54 PRO HG3 . 16886 1 336 . 1 1 28 28 PRO CA C 13 64.17 0.01 . 1 . . . . 54 PRO CA . 16886 1 337 . 1 1 28 28 PRO CB C 13 31.77 0.01 . 1 . . . . 54 PRO CB . 16886 1 338 . 1 1 28 28 PRO CD C 13 51.01 0.01 . 1 . . . . 54 PRO CD . 16886 1 339 . 1 1 28 28 PRO CG C 13 28.09 0.01 . 1 . . . . 54 PRO CG . 16886 1 340 . 1 1 29 29 LEU H H 1 7.71 0.01 . 1 . . . . 55 LEU H . 16886 1 341 . 1 1 29 29 LEU HA H 1 4.28 0.01 . 1 . . . . 55 LEU HA . 16886 1 342 . 1 1 29 29 LEU HB2 H 1 1.64 0.01 . 1 . . . . 55 LEU HB2 . 16886 1 343 . 1 1 29 29 LEU HB3 H 1 1.64 0.01 . 1 . . . . 55 LEU HB3 . 16886 1 344 . 1 1 29 29 LEU HD11 H 1 0.90 0.01 . 2 . . . . 55 LEU HD1 . 16886 1 345 . 1 1 29 29 LEU HD12 H 1 0.90 0.01 . 2 . . . . 55 LEU HD1 . 16886 1 346 . 1 1 29 29 LEU HD13 H 1 0.90 0.01 . 2 . . . . 55 LEU HD1 . 16886 1 347 . 1 1 29 29 LEU HD21 H 1 0.92 0.01 . 2 . . . . 55 LEU HD2 . 16886 1 348 . 1 1 29 29 LEU HD22 H 1 0.92 0.01 . 2 . . . . 55 LEU HD2 . 16886 1 349 . 1 1 29 29 LEU HD23 H 1 0.92 0.01 . 2 . . . . 55 LEU HD2 . 16886 1 350 . 1 1 29 29 LEU CA C 13 56.78 0.10 . 1 . . . . 55 LEU CA . 16886 1 351 . 1 1 29 29 LEU CB C 13 43.43 0.01 . 1 . . . . 55 LEU CB . 16886 1 352 . 1 1 29 29 LEU CD1 C 13 23.76 0.01 . 2 . . . . 55 LEU CD1 . 16886 1 353 . 1 1 29 29 LEU CD2 C 13 23.54 0.01 . 2 . . . . 55 LEU CD2 . 16886 1 354 . 1 1 30 30 ASN H H 1 8.22 0.01 . 1 . . . . 56 ASN H . 16886 1 355 . 1 1 30 30 ASN HA H 1 4.73 0.01 . 1 . . . . 56 ASN HA . 16886 1 356 . 1 1 30 30 ASN HB2 H 1 2.77 0.01 . 2 . . . . 56 ASN HB2 . 16886 1 357 . 1 1 30 30 ASN HB3 H 1 2.88 0.01 . 2 . . . . 56 ASN HB3 . 16886 1 358 . 1 1 30 30 ASN HD21 H 1 6.61 0.01 . 2 . . . . 56 ASN HD21 . 16886 1 359 . 1 1 30 30 ASN HD22 H 1 7.39 0.01 . 2 . . . . 56 ASN HD22 . 16886 1 360 . 1 1 30 30 ASN CB C 13 39.33 0.01 . 1 . . . . 56 ASN CB . 16886 1 361 . 1 1 31 31 VAL H H 1 7.70 0.01 . 1 . . . . 57 VAL H . 16886 1 362 . 1 1 31 31 VAL HA H 1 4.16 0.01 . 1 . . . . 57 VAL HA . 16886 1 363 . 1 1 31 31 VAL HB H 1 2.21 0.01 . 1 . . . . 57 VAL HB . 16886 1 364 . 1 1 31 31 VAL HG11 H 1 0.98 0.01 . 2 . . . . 57 VAL HG1 . 16886 1 365 . 1 1 31 31 VAL HG12 H 1 0.98 0.01 . 2 . . . . 57 VAL HG1 . 16886 1 366 . 1 1 31 31 VAL HG13 H 1 0.98 0.01 . 2 . . . . 57 VAL HG1 . 16886 1 367 . 1 1 31 31 VAL HG21 H 1 0.99 0.01 . 2 . . . . 57 VAL HG2 . 16886 1 368 . 1 1 31 31 VAL HG22 H 1 0.99 0.01 . 2 . . . . 57 VAL HG2 . 16886 1 369 . 1 1 31 31 VAL HG23 H 1 0.99 0.01 . 2 . . . . 57 VAL HG2 . 16886 1 370 . 1 1 31 31 VAL CA C 13 63.57 0.04 . 1 . . . . 57 VAL CA . 16886 1 371 . 1 1 31 31 VAL CB C 13 33.44 0.01 . 1 . . . . 57 VAL CB . 16886 1 372 . 1 1 31 31 VAL CG1 C 13 21.50 0.01 . 2 . . . . 57 VAL CG1 . 16886 1 373 . 1 1 31 31 VAL CG2 C 13 21.02 0.01 . 2 . . . . 57 VAL CG2 . 16886 1 374 . 1 1 32 32 ARG H H 1 7.99 0.01 . 1 . . . . 58 ARG H . 16886 1 375 . 1 1 32 32 ARG HA H 1 4.46 0.01 . 1 . . . . 58 ARG HA . 16886 1 376 . 1 1 32 32 ARG HB2 H 1 1.83 0.01 . 2 . . . . 58 ARG HB2 . 16886 1 377 . 1 1 32 32 ARG HB3 H 1 1.96 0.01 . 2 . . . . 58 ARG HB3 . 16886 1 378 . 1 1 32 32 ARG HD2 H 1 3.23 0.01 . 1 . . . . 58 ARG HD2 . 16886 1 379 . 1 1 32 32 ARG HD3 H 1 3.23 0.01 . 1 . . . . 58 ARG HD3 . 16886 1 380 . 1 1 32 32 ARG HE H 1 7.14 0.01 . 1 . . . . 58 ARG HE . 16886 1 381 . 1 1 32 32 ARG HG2 H 1 1.72 0.01 . 1 . . . . 58 ARG HG2 . 16886 1 382 . 1 1 32 32 ARG HG3 H 1 1.72 0.01 . 1 . . . . 58 ARG HG3 . 16886 1 383 . 1 1 32 32 ARG CA C 13 56.73 0.01 . 1 . . . . 58 ARG CA . 16886 1 384 . 1 1 32 32 ARG CB C 13 31.81 0.01 . 1 . . . . 58 ARG CB . 16886 1 385 . 1 1 32 32 ARG CD C 13 44.18 0.01 . 1 . . . . 58 ARG CD . 16886 1 386 . 1 1 32 32 ARG CG C 13 27.92 0.01 . 1 . . . . 58 ARG CG . 16886 1 387 . 1 1 33 33 GLY H H 1 8.00 0.01 . 1 . . . . 59 GLY H . 16886 1 388 . 1 1 33 33 GLY HA2 H 1 4.02 0.01 . 1 . . . . 59 GLY HA2 . 16886 1 389 . 1 1 33 33 GLY HA3 H 1 4.02 0.01 . 1 . . . . 59 GLY HA3 . 16886 1 390 . 1 1 33 33 GLY CA C 13 44.66 0.01 . 1 . . . . 59 GLY CA . 16886 1 stop_ save_