################################### # 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 15559 _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 0.03 _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' . . . 15559 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 . . 15559 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 GLN H H 1 7.80 0.01 . 1 . . . . 1 GLN H . 15559 1 2 . 1 1 1 1 GLN HA H 1 4.41 0.01 . 1 . . . . 1 GLN HA . 15559 1 3 . 1 1 1 1 GLN HB2 H 1 2.12 0.01 . 2 . . . . 1 GLN HB2 . 15559 1 4 . 1 1 1 1 GLN HB3 H 1 2.46 0.01 . 2 . . . . 1 GLN HB3 . 15559 1 5 . 1 1 1 1 GLN HG2 H 1 2.38 0.01 . 1 . . . . 1 GLN HG2 . 15559 1 6 . 1 1 1 1 GLN HG3 H 1 2.38 0.01 . 1 . . . . 1 GLN HG3 . 15559 1 7 . 1 1 1 1 GLN CB C 13 27.68 0.03 . 1 . . . . 1 GLN CB . 15559 1 8 . 1 1 1 1 GLN CG C 13 31.68 0.03 . 1 . . . . 1 GLN CG . 15559 1 9 . 1 1 2 2 THR H H 1 8.35 0.01 . 1 . . . . 2 THR H . 15559 1 10 . 1 1 2 2 THR HA H 1 4.40 0.01 . 1 . . . . 2 THR HA . 15559 1 11 . 1 1 2 2 THR HB H 1 4.32 0.01 . 1 . . . . 2 THR HB . 15559 1 12 . 1 1 2 2 THR HG21 H 1 1.22 0.01 . 1 . . . . 2 THR HG2 . 15559 1 13 . 1 1 2 2 THR HG22 H 1 1.22 0.01 . 1 . . . . 2 THR HG2 . 15559 1 14 . 1 1 2 2 THR HG23 H 1 1.22 0.01 . 1 . . . . 2 THR HG2 . 15559 1 15 . 1 1 2 2 THR CG2 C 13 21.22 0.03 . 1 . . . . 2 THR CG2 . 15559 1 16 . 1 1 3 3 ASN H H 1 8.72 0.01 . 1 . . . . 3 ASN H . 15559 1 17 . 1 1 3 3 ASN HA H 1 4.59 0.01 . 1 . . . . 3 ASN HA . 15559 1 18 . 1 1 3 3 ASN HB2 H 1 2.85 0.01 . 1 . . . . 3 ASN HB2 . 15559 1 19 . 1 1 3 3 ASN HB3 H 1 2.85 0.01 . 1 . . . . 3 ASN HB3 . 15559 1 20 . 1 1 3 3 ASN CB C 13 37.44 0.03 . 1 . . . . 3 ASN CB . 15559 1 21 . 1 1 4 4 TRP H H 1 7.79 0.01 . 1 . . . . 4 TRP H . 15559 1 22 . 1 1 4 4 TRP HA H 1 4.54 0.01 . 1 . . . . 4 TRP HA . 15559 1 23 . 1 1 4 4 TRP HB2 H 1 3.33 0.01 . 2 . . . . 4 TRP HB2 . 15559 1 24 . 1 1 4 4 TRP HB3 H 1 3.39 0.01 . 2 . . . . 4 TRP HB3 . 15559 1 25 . 1 1 4 4 TRP HD1 H 1 7.32 0.01 . 1 . . . . 4 TRP HD1 . 15559 1 26 . 1 1 4 4 TRP HE3 H 1 7.57 0.01 . 1 . . . . 4 TRP HE3 . 15559 1 27 . 1 1 4 4 TRP HZ2 H 1 7.51 0.01 . 1 . . . . 4 TRP HZ2 . 15559 1 28 . 1 1 4 4 TRP HZ3 H 1 7.17 0.01 . 1 . . . . 4 TRP HZ3 . 15559 1 29 . 1 1 4 4 TRP HH2 H 1 7.26 0.01 . 1 . . . . 4 TRP HH2 . 15559 1 30 . 1 1 4 4 TRP CB C 13 28.71 0.03 . 1 . . . . 4 TRP CB . 15559 1 31 . 1 1 4 4 TRP CD1 C 13 126.97 0.03 . 1 . . . . 4 TRP CD1 . 15559 1 32 . 1 1 4 4 TRP CE3 C 13 120.72 0.03 . 1 . . . . 4 TRP CE3 . 15559 1 33 . 1 1 4 4 TRP CZ2 C 13 114.45 0.03 . 1 . . . . 4 TRP CZ2 . 15559 1 34 . 1 1 4 4 TRP CZ3 C 13 122.27 0.03 . 1 . . . . 4 TRP CZ3 . 15559 1 35 . 1 1 4 4 TRP CH2 C 13 124.77 0.03 . 1 . . . . 4 TRP CH2 . 15559 1 36 . 1 1 5 5 GLN H H 1 7.73 0.01 . 1 . . . . 5 GLN H . 15559 1 37 . 1 1 5 5 GLN HA H 1 3.98 0.01 . 1 . . . . 5 GLN HA . 15559 1 38 . 1 1 5 5 GLN HB2 H 1 1.97 0.01 . 2 . . . . 5 GLN HB2 . 15559 1 39 . 1 1 5 5 GLN HB3 H 1 2.15 0.01 . 2 . . . . 5 GLN HB3 . 15559 1 40 . 1 1 5 5 GLN HG2 H 1 1.97 0.01 . 2 . . . . 5 GLN HG2 . 15559 1 41 . 1 1 5 5 GLN HG3 H 1 2.24 0.01 . 2 . . . . 5 GLN HG3 . 15559 1 42 . 1 1 5 5 GLN CB C 13 28.39 0.03 . 1 . . . . 5 GLN CB . 15559 1 43 . 1 1 5 5 GLN CG C 13 34.51 0.03 . 1 . . . . 5 GLN CG . 15559 1 44 . 1 1 6 6 LYS H H 1 7.82 0.01 . 1 . . . . 6 LYS H . 15559 1 45 . 1 1 6 6 LYS HA H 1 3.98 0.01 . 1 . . . . 6 LYS HA . 15559 1 46 . 1 1 6 6 LYS HB2 H 1 1.95 0.01 . 2 . . . . 6 LYS HB2 . 15559 1 47 . 1 1 6 6 LYS HB3 H 1 1.88 0.01 . 2 . . . . 6 LYS HB3 . 15559 1 48 . 1 1 6 6 LYS HD2 H 1 1.73 0.01 . 1 . . . . 6 LYS HD2 . 15559 1 49 . 1 1 6 6 LYS HD3 H 1 1.73 0.01 . 1 . . . . 6 LYS HD3 . 15559 1 50 . 1 1 6 6 LYS HE2 H 1 2.95 0.01 . 1 . . . . 6 LYS HE2 . 15559 1 51 . 1 1 6 6 LYS HE3 H 1 2.95 0.01 . 1 . . . . 6 LYS HE3 . 15559 1 52 . 1 1 6 6 LYS HG2 H 1 1.39 0.01 . 2 . . . . 6 LYS HG2 . 15559 1 53 . 1 1 6 6 LYS HG3 H 1 1.64 0.01 . 2 . . . . 6 LYS HG3 . 15559 1 54 . 1 1 6 6 LYS HZ1 H 1 7.62 0.01 . 1 . . . . 6 LYS HZ . 15559 1 55 . 1 1 6 6 LYS HZ2 H 1 7.62 0.01 . 1 . . . . 6 LYS HZ . 15559 1 56 . 1 1 6 6 LYS HZ3 H 1 7.62 0.01 . 1 . . . . 6 LYS HZ . 15559 1 57 . 1 1 6 6 LYS CB C 13 32.44 0.03 . 1 . . . . 6 LYS CB . 15559 1 58 . 1 1 6 6 LYS CD C 13 29.71 0.03 . 1 . . . . 6 LYS CD . 15559 1 59 . 1 1 6 6 LYS CE C 13 42.14 0.03 . 1 . . . . 6 LYS CE . 15559 1 60 . 1 1 6 6 LYS CG C 13 25.79 0.03 . 1 . . . . 6 LYS CG . 15559 1 61 . 1 1 7 7 LEU H H 1 7.82 0.01 . 1 . . . . 7 LEU H . 15559 1 62 . 1 1 7 7 LEU HA H 1 4.19 0.01 . 1 . . . . 7 LEU HA . 15559 1 63 . 1 1 7 7 LEU HB2 H 1 1.72 0.01 . 2 . . . . 7 LEU HB2 . 15559 1 64 . 1 1 7 7 LEU HB3 H 1 1.80 0.01 . 2 . . . . 7 LEU HB3 . 15559 1 65 . 1 1 7 7 LEU HD11 H 1 0.93 0.01 . 1 . . . . 7 LEU HD1 . 15559 1 66 . 1 1 7 7 LEU HD12 H 1 0.93 0.01 . 1 . . . . 7 LEU HD1 . 15559 1 67 . 1 1 7 7 LEU HD13 H 1 0.93 0.01 . 1 . . . . 7 LEU HD1 . 15559 1 68 . 1 1 7 7 LEU HD21 H 1 0.88 0.01 . 1 . . . . 7 LEU HD2 . 15559 1 69 . 1 1 7 7 LEU HD22 H 1 0.88 0.01 . 1 . . . . 7 LEU HD2 . 15559 1 70 . 1 1 7 7 LEU HD23 H 1 0.88 0.01 . 1 . . . . 7 LEU HD2 . 15559 1 71 . 1 1 7 7 LEU HG H 1 1.72 0.01 . 1 . . . . 7 LEU HG . 15559 1 72 . 1 1 7 7 LEU CA C 13 57.96 0.03 . 1 . . . . 7 LEU CA . 15559 1 73 . 1 1 7 7 LEU CB C 13 41.81 0.03 . 1 . . . . 7 LEU CB . 15559 1 74 . 1 1 7 7 LEU CD1 C 13 24.37 0.03 . 2 . . . . 7 LEU CD1 . 15559 1 75 . 1 1 7 7 LEU CD2 C 13 23.44 0.03 . 2 . . . . 7 LEU CD2 . 15559 1 76 . 1 1 7 7 LEU CG C 13 26.98 0.03 . 1 . . . . 7 LEU CG . 15559 1 77 . 1 1 8 8 GLU H H 1 8.15 0.01 . 1 . . . . 8 GLU H . 15559 1 78 . 1 1 8 8 GLU HA H 1 4.19 0.01 . 1 . . . . 8 GLU HA . 15559 1 79 . 1 1 8 8 GLU HB2 H 1 2.24 0.01 . 2 . . . . 8 GLU HB2 . 15559 1 80 . 1 1 8 8 GLU HB3 H 1 2.32 0.01 . 2 . . . . 8 GLU HB3 . 15559 1 81 . 1 1 8 8 GLU HG2 H 1 2.44 0.01 . 2 . . . . 8 GLU HG2 . 15559 1 82 . 1 1 8 8 GLU HG3 H 1 2.63 0.01 . 2 . . . . 8 GLU HG3 . 15559 1 83 . 1 1 8 8 GLU CA C 13 59.70 0.03 . 1 . . . . 8 GLU CA . 15559 1 84 . 1 1 8 8 GLU CB C 13 27.96 0.03 . 1 . . . . 8 GLU CB . 15559 1 85 . 1 1 8 8 GLU CG C 13 33.01 0.03 . 1 . . . . 8 GLU CG . 15559 1 86 . 1 1 9 9 VAL H H 1 8.03 0.01 . 1 . . . . 9 VAL H . 15559 1 87 . 1 1 9 9 VAL HA H 1 3.80 0.01 . 1 . . . . 9 VAL HA . 15559 1 88 . 1 1 9 9 VAL HB H 1 2.25 0.01 . 1 . . . . 9 VAL HB . 15559 1 89 . 1 1 9 9 VAL HG11 H 1 1.16 0.01 . 1 . . . . 9 VAL HG1 . 15559 1 90 . 1 1 9 9 VAL HG12 H 1 1.16 0.01 . 1 . . . . 9 VAL HG1 . 15559 1 91 . 1 1 9 9 VAL HG13 H 1 1.16 0.01 . 1 . . . . 9 VAL HG1 . 15559 1 92 . 1 1 9 9 VAL HG21 H 1 1.02 0.01 . 1 . . . . 9 VAL HG2 . 15559 1 93 . 1 1 9 9 VAL HG22 H 1 1.02 0.01 . 1 . . . . 9 VAL HG2 . 15559 1 94 . 1 1 9 9 VAL HG23 H 1 1.02 0.01 . 1 . . . . 9 VAL HG2 . 15559 1 95 . 1 1 9 9 VAL CA C 13 66.86 0.03 . 1 . . . . 9 VAL CA . 15559 1 96 . 1 1 9 9 VAL CB C 13 34.48 0.03 . 1 . . . . 9 VAL CB . 15559 1 97 . 1 1 9 9 VAL CG1 C 13 22.22 0.03 . 2 . . . . 9 VAL CG1 . 15559 1 98 . 1 1 9 9 VAL CG2 C 13 20.82 0.03 . 2 . . . . 9 VAL CG2 . 15559 1 99 . 1 1 10 10 PHE H H 1 8.29 0.01 . 1 . . . . 10 PHE H . 15559 1 100 . 1 1 10 10 PHE HA H 1 4.25 0.01 . 1 . . . . 10 PHE HA . 15559 1 101 . 1 1 10 10 PHE HB2 H 1 3.33 0.01 . 2 . . . . 10 PHE HB2 . 15559 1 102 . 1 1 10 10 PHE HB3 H 1 3.44 0.01 . 2 . . . . 10 PHE HB3 . 15559 1 103 . 1 1 10 10 PHE HD1 H 1 7.12 0.01 . 1 . . . . 10 PHE HD1 . 15559 1 104 . 1 1 10 10 PHE HD2 H 1 7.12 0.01 . 1 . . . . 10 PHE HD2 . 15559 1 105 . 1 1 10 10 PHE HE1 H 1 7.12 0.01 . 1 . . . . 10 PHE HE1 . 15559 1 106 . 1 1 10 10 PHE HE2 H 1 7.12 0.01 . 1 . . . . 10 PHE HE2 . 15559 1 107 . 1 1 10 10 PHE HZ H 1 7.12 0.01 . 1 . . . . 10 PHE HZ . 15559 1 108 . 1 1 10 10 PHE CA C 13 61.99 0.01 . 1 . . . . 10 PHE CA . 15559 1 109 . 1 1 10 10 PHE CB C 13 39.04 0.03 . 1 . . . . 10 PHE CB . 15559 1 110 . 1 1 10 10 PHE CD1 C 13 131.67 0.03 . 1 . . . . 10 PHE CD1 . 15559 1 111 . 1 1 10 10 PHE CD2 C 13 131.67 0.03 . 1 . . . . 10 PHE CD2 . 15559 1 112 . 1 1 10 10 PHE CE1 C 13 131.06 0.03 . 1 . . . . 10 PHE CE1 . 15559 1 113 . 1 1 10 10 PHE CE2 C 13 131.06 0.03 . 1 . . . . 10 PHE CE2 . 15559 1 114 . 1 1 10 10 PHE CZ C 13 129.50 0.03 . 1 . . . . 10 PHE CZ . 15559 1 115 . 1 1 11 11 TRP H H 1 9.16 0.01 . 1 . . . . 11 TRP H . 15559 1 116 . 1 1 11 11 TRP HA H 1 4.42 0.01 . 1 . . . . 11 TRP HA . 15559 1 117 . 1 1 11 11 TRP HB2 H 1 3.50 0.01 . 2 . . . . 11 TRP HB2 . 15559 1 118 . 1 1 11 11 TRP HB3 H 1 3.58 0.01 . 2 . . . . 11 TRP HB3 . 15559 1 119 . 1 1 11 11 TRP HD1 H 1 7.26 0.01 . 1 . . . . 11 TRP HD1 . 15559 1 120 . 1 1 11 11 TRP HE3 H 1 7.64 0.01 . 1 . . . . 11 TRP HE3 . 15559 1 121 . 1 1 11 11 TRP HH2 H 1 7.21 0.01 . 1 . . . . 11 TRP HH2 . 15559 1 122 . 1 1 11 11 TRP HZ2 H 1 7.48 0.01 . 1 . . . . 11 TRP HZ2 . 15559 1 123 . 1 1 11 11 TRP HZ3 H 1 7.06 0.01 . 1 . . . . 11 TRP HZ3 . 15559 1 124 . 1 1 11 11 TRP CA C 13 61.31 0.03 . 1 . . . . 11 TRP CA . 15559 1 125 . 1 1 11 11 TRP CB C 13 28.94 0.01 . 1 . . . . 11 TRP CB . 15559 1 126 . 1 1 11 11 TRP CD1 C 13 126.35 0.01 . 1 . . . . 11 TRP CD1 . 15559 1 127 . 1 1 11 11 TRP CE3 C 13 120.45 0.01 . 1 . . . . 11 TRP CE3 . 15559 1 128 . 1 1 11 11 TRP CH2 C 13 124.41 0.01 . 1 . . . . 11 TRP CH2 . 15559 1 129 . 1 1 11 11 TRP CZ2 C 13 114.41 0.01 . 1 . . . . 11 TRP CZ2 . 15559 1 130 . 1 1 11 11 TRP CZ3 C 13 121.63 0.01 . 1 . . . . 11 TRP CZ3 . 15559 1 131 . 1 1 12 12 ALA H H 1 8.90 0.01 . 1 . . . . 12 ALA H . 15559 1 132 . 1 1 12 12 ALA HA H 1 3.99 0.01 . 1 . . . . 12 ALA HA . 15559 1 133 . 1 1 12 12 ALA HB1 H 1 1.66 0.01 . 1 . . . . 12 ALA HB . 15559 1 134 . 1 1 12 12 ALA HB2 H 1 1.66 0.01 . 1 . . . . 12 ALA HB . 15559 1 135 . 1 1 12 12 ALA HB3 H 1 1.66 0.01 . 1 . . . . 12 ALA HB . 15559 1 136 . 1 1 12 12 ALA CA C 13 55.87 0.03 . 1 . . . . 12 ALA CA . 15559 1 137 . 1 1 12 12 ALA CB C 13 17.62 0.03 . 1 . . . . 12 ALA CB . 15559 1 138 . 1 1 13 13 LYS H H 1 8.56 0.01 . 1 . . . . 13 LYS H . 15559 1 139 . 1 1 13 13 LYS HA H 1 4.13 0.01 . 1 . . . . 13 LYS HA . 15559 1 140 . 1 1 13 13 LYS HB2 H 1 1.95 0.01 . 2 . . . . 13 LYS HB2 . 15559 1 141 . 1 1 13 13 LYS HB3 H 1 1.81 0.01 . 2 . . . . 13 LYS HB3 . 15559 1 142 . 1 1 13 13 LYS HD2 H 1 1.67 0.01 . 1 . . . . 13 LYS HD2 . 15559 1 143 . 1 1 13 13 LYS HD3 H 1 1.67 0.01 . 1 . . . . 13 LYS HD3 . 15559 1 144 . 1 1 13 13 LYS HE2 H 1 2.94 0.01 . 1 . . . . 13 LYS HE2 . 15559 1 145 . 1 1 13 13 LYS HE3 H 1 2.94 0.01 . 1 . . . . 13 LYS HE3 . 15559 1 146 . 1 1 13 13 LYS HG2 H 1 1.50 0.01 . 2 . . . . 13 LYS HG2 . 15559 1 147 . 1 1 13 13 LYS HG3 H 1 1.66 0.01 . 2 . . . . 13 LYS HG3 . 15559 1 148 . 1 1 13 13 LYS HZ1 H 1 7.58 0.01 . 1 . . . . 13 LYS HZ . 15559 1 149 . 1 1 13 13 LYS HZ2 H 1 7.58 0.01 . 1 . . . . 13 LYS HZ . 15559 1 150 . 1 1 13 13 LYS HZ3 H 1 7.58 0.01 . 1 . . . . 13 LYS HZ . 15559 1 151 . 1 1 13 13 LYS CA C 13 58.94 0.03 . 1 . . . . 13 LYS CA . 15559 1 152 . 1 1 13 13 LYS CB C 13 32.06 0.03 . 1 . . . . 13 LYS CB . 15559 1 153 . 1 1 13 13 LYS CD C 13 28.96 0.03 . 1 . . . . 13 LYS CD . 15559 1 154 . 1 1 13 13 LYS CE C 13 42.07 0.03 . 1 . . . . 13 LYS CE . 15559 1 155 . 1 1 13 13 LYS CG C 13 25.29 0.03 . 1 . . . . 13 LYS CG . 15559 1 156 . 1 1 14 14 HIS H H 1 8.00 0.01 . 1 . . . . 14 HIS H . 15559 1 157 . 1 1 14 14 HIS HA H 1 4.28 0.01 . 1 . . . . 14 HIS HA . 15559 1 158 . 1 1 14 14 HIS HB2 H 1 3.01 0.01 . 2 . . . . 14 HIS HB2 . 15559 1 159 . 1 1 14 14 HIS HB3 H 1 3.21 0.01 . 2 . . . . 14 HIS HB3 . 15559 1 160 . 1 1 14 14 HIS HD2 H 1 6.96 0.01 . 1 . . . . 14 HIS HD2 . 15559 1 161 . 1 1 14 14 HIS HE1 H 1 7.76 0.01 . 1 . . . . 14 HIS HE1 . 15559 1 162 . 1 1 14 14 HIS CA C 13 59.35 0.03 . 1 . . . . 14 HIS CA . 15559 1 163 . 1 1 14 14 HIS CB C 13 27.52 0.03 . 1 . . . . 14 HIS CB . 15559 1 164 . 1 1 14 14 HIS CD2 C 13 119.80 0.03 . 1 . . . . 14 HIS CD2 . 15559 1 165 . 1 1 14 14 HIS CE1 C 13 135.33 0.03 . 1 . . . . 14 HIS CE1 . 15559 1 166 . 1 1 15 15 MET H H 1 8.45 0.01 . 1 . . . . 15 MET H . 15559 1 167 . 1 1 15 15 MET HA H 1 4.37 0.01 . 1 . . . . 15 MET HA . 15559 1 168 . 1 1 15 15 MET HB2 H 1 1.94 0.01 . 2 . . . . 15 MET HB2 . 15559 1 169 . 1 1 15 15 MET HB3 H 1 1.98 0.01 . 2 . . . . 15 MET HB3 . 15559 1 170 . 1 1 15 15 MET HG2 H 1 2.23 0.01 . 2 . . . . 15 MET HG2 . 15559 1 171 . 1 1 15 15 MET HG3 H 1 2.29 0.01 . 2 . . . . 15 MET HG3 . 15559 1 172 . 1 1 15 15 MET HE1 H 1 1.99 0.01 . 1 . . . . 15 MET HE11 . 15559 1 173 . 1 1 15 15 MET HE2 H 1 1.99 0.01 . 1 . . . . 15 MET HE12 . 15559 1 174 . 1 1 15 15 MET HE3 H 1 1.99 0.01 . 1 . . . . 15 MET HE13 . 15559 1 175 . 1 1 15 15 MET CB C 13 30.98 0.03 . 1 . . . . 15 MET CB . 15559 1 176 . 1 1 15 15 MET CE C 13 15.77 0.03 . 1 . . . . 15 MET CE . 15559 1 177 . 1 1 15 15 MET CG C 13 31.55 0.03 . 1 . . . . 15 MET CG . 15559 1 178 . 1 1 16 16 TRP H H 1 8.55 0.01 . 1 . . . . 16 TRP H . 15559 1 179 . 1 1 16 16 TRP HA H 1 4.44 0.01 . 1 . . . . 16 TRP HA . 15559 1 180 . 1 1 16 16 TRP HB2 H 1 3.38 0.01 . 2 . . . . 16 TRP HB2 . 15559 1 181 . 1 1 16 16 TRP HB3 H 1 3.42 0.01 . 2 . . . . 16 TRP HB3 . 15559 1 182 . 1 1 16 16 TRP HD1 H 1 7.19 0.01 . 1 . . . . 16 TRP HD1 . 15559 1 183 . 1 1 16 16 TRP HE3 H 1 7.60 0.01 . 1 . . . . 16 TRP HE3 . 15559 1 184 . 1 1 16 16 TRP HH2 H 1 7.22 0.01 . 1 . . . . 16 TRP HH2 . 15559 1 185 . 1 1 16 16 TRP HZ2 H 1 7.47 0.01 . 1 . . . . 16 TRP HZ2 . 15559 1 186 . 1 1 16 16 TRP HZ3 H 1 7.12 0.01 . 1 . . . . 16 TRP HZ3 . 15559 1 187 . 1 1 16 16 TRP CB C 13 28.88 0.03 . 1 . . . . 16 TRP CB . 15559 1 188 . 1 1 16 16 TRP CD1 C 13 126.49 0.03 . 1 . . . . 16 TRP CD1 . 15559 1 189 . 1 1 16 16 TRP CE3 C 13 120.35 0.03 . 1 . . . . 16 TRP CE3 . 15559 1 190 . 1 1 16 16 TRP CH2 C 13 124.41 0.03 . 1 . . . . 16 TRP CH2 . 15559 1 191 . 1 1 16 16 TRP CZ2 C 13 114.37 0.03 . 1 . . . . 16 TRP CZ2 . 15559 1 192 . 1 1 16 16 TRP CZ3 C 13 121.78 0.03 . 1 . . . . 16 TRP CZ3 . 15559 1 193 . 1 1 17 17 ASN H H 1 8.15 0.01 . 1 . . . . 17 ASN H . 15559 1 194 . 1 1 17 17 ASN HA H 1 4.29 0.01 . 1 . . . . 17 ASN HA . 15559 1 195 . 1 1 17 17 ASN HB2 H 1 2.77 0.01 . 2 . . . . 17 ASN HB2 . 15559 1 196 . 1 1 17 17 ASN HB3 H 1 2.87 0.01 . 2 . . . . 17 ASN HB3 . 15559 1 197 . 1 1 17 17 ASN CA C 13 56.39 0.03 . 1 . . . . 17 ASN CA . 15559 1 198 . 1 1 17 17 ASN CB C 13 38.48 0.03 . 1 . . . . 17 ASN CB . 15559 1 199 . 1 1 18 18 PHE H H 1 8.04 0.01 . 1 . . . . 18 PHE H . 15559 1 200 . 1 1 18 18 PHE HA H 1 4.36 0.01 . 1 . . . . 18 PHE HA . 15559 1 201 . 1 1 18 18 PHE HB2 H 1 3.16 0.01 . 2 . . . . 18 PHE HB2 . 15559 1 202 . 1 1 18 18 PHE HB3 H 1 3.31 0.01 . 2 . . . . 18 PHE HB3 . 15559 1 203 . 1 1 18 18 PHE HD1 H 1 7.22 0.01 . 1 . . . . 18 PHE HD1 . 15559 1 204 . 1 1 18 18 PHE HD2 H 1 7.22 0.01 . 1 . . . . 18 PHE HD2 . 15559 1 205 . 1 1 18 18 PHE HE1 H 1 7.29 0.01 . 1 . . . . 18 PHE HE1 . 15559 1 206 . 1 1 18 18 PHE HE2 H 1 7.29 0.01 . 1 . . . . 18 PHE HE2 . 15559 1 207 . 1 1 18 18 PHE HZ H 1 7.28 0.01 . 1 . . . . 18 PHE HZ . 15559 1 208 . 1 1 18 18 PHE CB C 13 39.34 0.03 . 1 . . . . 18 PHE CB . 15559 1 209 . 1 1 18 18 PHE CD1 C 13 131.59 0.03 . 1 . . . . 18 PHE CD1 . 15559 1 210 . 1 1 18 18 PHE CD2 C 13 131.59 0.03 . 1 . . . . 18 PHE CD2 . 15559 1 211 . 1 1 18 18 PHE CE1 C 13 131.09 0.03 . 1 . . . . 18 PHE CE1 . 15559 1 212 . 1 1 18 18 PHE CE2 C 13 131.09 0.03 . 1 . . . . 18 PHE CE2 . 15559 1 213 . 1 1 18 18 PHE CZ C 13 129.78 0.03 . 1 . . . . 18 PHE CZ . 15559 1 214 . 1 1 19 19 ILE H H 1 8.54 0.01 . 1 . . . . 19 ILE H . 15559 1 215 . 1 1 19 19 ILE HA H 1 3.65 0.01 . 1 . . . . 19 ILE HA . 15559 1 216 . 1 1 19 19 ILE HB H 1 1.86 0.01 . 1 . . . . 19 ILE HB . 15559 1 217 . 1 1 19 19 ILE HD11 H 1 0.88 0.01 . 1 . . . . 19 ILE HD11 . 15559 1 218 . 1 1 19 19 ILE HD12 H 1 0.88 0.01 . 1 . . . . 19 ILE HD12 . 15559 1 219 . 1 1 19 19 ILE HD13 H 1 0.88 0.01 . 1 . . . . 19 ILE HD13 . 15559 1 220 . 1 1 19 19 ILE HG12 H 1 1.33 0.01 . 2 . . . . 19 ILE HG12 . 15559 1 221 . 1 1 19 19 ILE HG13 H 1 1.76 0.01 . 2 . . . . 19 ILE HG13 . 15559 1 222 . 1 1 19 19 ILE HG21 H 1 0.90 0.01 . 1 . . . . 19 ILE HG2 . 15559 1 223 . 1 1 19 19 ILE HG22 H 1 0.90 0.01 . 1 . . . . 19 ILE HG2 . 15559 1 224 . 1 1 19 19 ILE HG23 H 1 0.90 0.01 . 1 . . . . 19 ILE HG2 . 15559 1 225 . 1 1 19 19 ILE CA C 13 64.28 0.03 . 1 . . . . 19 ILE CA . 15559 1 226 . 1 1 19 19 ILE CB C 13 38.02 0.03 . 1 . . . . 19 ILE CB . 15559 1 227 . 1 1 19 19 ILE CD1 C 13 12.09 0.03 . 1 . . . . 19 ILE CD . 15559 1 228 . 1 1 19 19 ILE CG1 C 13 28.52 0.03 . 1 . . . . 19 ILE CG1 . 15559 1 229 . 1 1 19 19 ILE CG2 C 13 16.85 0.03 . 1 . . . . 19 ILE CG2 . 15559 1 230 . 1 1 20 20 SER H H 1 8.13 0.01 . 1 . . . . 20 SER H . 15559 1 231 . 1 1 20 20 SER HA H 1 4.04 0.01 . 1 . . . . 20 SER HA . 15559 1 232 . 1 1 20 20 SER HB2 H 1 3.45 0.01 . 2 . . . . 20 SER HB2 . 15559 1 233 . 1 1 20 20 SER HB3 H 1 3.73 0.01 . 2 . . . . 20 SER HB3 . 15559 1 234 . 1 1 20 20 SER CA C 13 61.57 0.03 . 1 . . . . 20 SER CA . 15559 1 235 . 1 1 20 20 SER CB C 13 62.71 0.03 . 1 . . . . 20 SER CB . 15559 1 236 . 1 1 21 21 GLY H H 1 7.71 0.01 . 1 . . . . 21 GLY H . 15559 1 237 . 1 1 21 21 GLY HA2 H 1 3.93 0.01 . 1 . . . . 21 GLY HA2 . 15559 1 238 . 1 1 21 21 GLY HA3 H 1 3.93 0.01 . 1 . . . . 21 GLY HA3 . 15559 1 239 . 1 1 21 21 GLY CA C 13 46.77 0.03 . 1 . . . . 21 GLY CA . 15559 1 240 . 1 1 22 22 ILE H H 1 7.78 0.01 . 1 . . . . 22 ILE H . 15559 1 241 . 1 1 22 22 ILE HA H 1 3.84 0.01 . 1 . . . . 22 ILE HA . 15559 1 242 . 1 1 22 22 ILE HB H 1 1.91 0.01 . 1 . . . . 22 ILE HB . 15559 1 243 . 1 1 22 22 ILE HD11 H 1 0.70 0.01 . 1 . . . . 22 ILE HD11 . 15559 1 244 . 1 1 22 22 ILE HD12 H 1 0.70 0.01 . 1 . . . . 22 ILE HD12 . 15559 1 245 . 1 1 22 22 ILE HD13 H 1 0.70 0.01 . 1 . . . . 22 ILE HD13 . 15559 1 246 . 1 1 22 22 ILE HG12 H 1 1.10 0.01 . 2 . . . . 22 ILE HG12 . 15559 1 247 . 1 1 22 22 ILE HG13 H 1 1.37 0.01 . 2 . . . . 22 ILE HG13 . 15559 1 248 . 1 1 22 22 ILE HG21 H 1 0.85 0.01 . 1 . . . . 22 ILE HG2 . 15559 1 249 . 1 1 22 22 ILE HG22 H 1 0.85 0.01 . 1 . . . . 22 ILE HG2 . 15559 1 250 . 1 1 22 22 ILE HG23 H 1 0.85 0.01 . 1 . . . . 22 ILE HG2 . 15559 1 251 . 1 1 22 22 ILE CA C 13 64.03 0.03 . 1 . . . . 22 ILE CA . 15559 1 252 . 1 1 22 22 ILE CB C 13 37.14 0.03 . 1 . . . . 22 ILE CB . 15559 1 253 . 1 1 22 22 ILE CD1 C 13 11.43 0.03 . 1 . . . . 22 ILE CD . 15559 1 254 . 1 1 22 22 ILE CG1 C 13 27.84 0.03 . 1 . . . . 22 ILE CG1 . 15559 1 255 . 1 1 22 22 ILE CG2 C 13 16.71 0.03 . 1 . . . . 22 ILE CG2 . 15559 1 256 . 1 1 23 23 GLN H H 1 8.09 0.01 . 1 . . . . 23 GLN H . 15559 1 257 . 1 1 23 23 GLN HA H 1 3.97 0.01 . 1 . . . . 23 GLN HA . 15559 1 258 . 1 1 23 23 GLN HB2 H 1 2.05 0.01 . 2 . . . . 23 GLN HB2 . 15559 1 259 . 1 1 23 23 GLN HB3 H 1 2.16 0.01 . 2 . . . . 23 GLN HB3 . 15559 1 260 . 1 1 23 23 GLN HG2 H 1 2.26 0.01 . 2 . . . . 23 GLN HG2 . 15559 1 261 . 1 1 23 23 GLN HG3 H 1 2.45 0.01 . 2 . . . . 23 GLN HG3 . 15559 1 262 . 1 1 23 23 GLN CB C 13 28.22 0.03 . 1 . . . . 23 GLN CB . 15559 1 263 . 1 1 23 23 GLN CG C 13 33.99 0.03 . 1 . . . . 23 GLN CG . 15559 1 264 . 1 1 24 24 TYR H H 1 7.93 0.01 . 1 . . . . 24 TYR H . 15559 1 265 . 1 1 24 24 TYR HA H 1 4.35 0.01 . 1 . . . . 24 TYR HA . 15559 1 266 . 1 1 24 24 TYR HB2 H 1 3.19 0.01 . 2 . . . . 24 TYR HB2 . 15559 1 267 . 1 1 24 24 TYR HB3 H 1 3.25 0.01 . 2 . . . . 24 TYR HB3 . 15559 1 268 . 1 1 24 24 TYR HD1 H 1 7.14 0.01 . 1 . . . . 24 TYR HD1 . 15559 1 269 . 1 1 24 24 TYR HD2 H 1 7.14 0.01 . 1 . . . . 24 TYR HD2 . 15559 1 270 . 1 1 24 24 TYR HE1 H 1 6.83 0.01 . 1 . . . . 24 TYR HE1 . 15559 1 271 . 1 1 24 24 TYR HE2 H 1 6.83 0.01 . 1 . . . . 24 TYR HE2 . 15559 1 272 . 1 1 24 24 TYR CA C 13 60.77 0.03 . 1 . . . . 24 TYR CA . 15559 1 273 . 1 1 24 24 TYR CB C 13 38.18 0.03 . 1 . . . . 24 TYR CB . 15559 1 274 . 1 1 24 24 TYR CD1 C 13 132.96 0.03 . 1 . . . . 24 TYR CD1 . 15559 1 275 . 1 1 24 24 TYR CD2 C 13 132.96 0.03 . 1 . . . . 24 TYR CD2 . 15559 1 276 . 1 1 24 24 TYR CE1 C 13 118.09 0.03 . 1 . . . . 24 TYR CE1 . 15559 1 277 . 1 1 24 24 TYR CE2 C 13 118.09 0.03 . 1 . . . . 24 TYR CE2 . 15559 1 278 . 1 1 25 25 LEU H H 1 8.17 0.01 . 1 . . . . 25 LEU H . 15559 1 279 . 1 1 25 25 LEU HA H 1 4.03 0.01 . 1 . . . . 25 LEU HA . 15559 1 280 . 1 1 25 25 LEU HB2 H 1 1.58 0.01 . 2 . . . . 25 LEU HB2 . 15559 1 281 . 1 1 25 25 LEU HB3 H 1 1.92 0.01 . 2 . . . . 25 LEU HB3 . 15559 1 282 . 1 1 25 25 LEU HD11 H 1 0.94 0.01 . 1 . . . . 25 LEU HD1 . 15559 1 283 . 1 1 25 25 LEU HD12 H 1 0.94 0.01 . 1 . . . . 25 LEU HD1 . 15559 1 284 . 1 1 25 25 LEU HD13 H 1 0.94 0.01 . 1 . . . . 25 LEU HD1 . 15559 1 285 . 1 1 25 25 LEU HD21 H 1 0.94 0.01 . 1 . . . . 25 LEU HD2 . 15559 1 286 . 1 1 25 25 LEU HD22 H 1 0.94 0.01 . 1 . . . . 25 LEU HD2 . 15559 1 287 . 1 1 25 25 LEU HD23 H 1 0.94 0.01 . 1 . . . . 25 LEU HD2 . 15559 1 288 . 1 1 25 25 LEU HG H 1 1.91 0.01 . 1 . . . . 25 LEU HG . 15559 1 289 . 1 1 25 25 LEU CA C 13 57.53 0.03 . 1 . . . . 25 LEU CA . 15559 1 290 . 1 1 25 25 LEU CB C 13 41.90 0.03 . 1 . . . . 25 LEU CB . 15559 1 291 . 1 1 25 25 LEU CD1 C 13 23.85 0.03 . 2 . . . . 25 LEU CD1 . 15559 1 292 . 1 1 25 25 LEU CD2 C 13 22.49 0.03 . 2 . . . . 25 LEU CD2 . 15559 1 293 . 1 1 25 25 LEU CG C 13 26.80 0.03 . 1 . . . . 25 LEU CG . 15559 1 294 . 1 1 26 26 ALA H H 1 8.60 0.01 . 1 . . . . 26 ALA H . 15559 1 295 . 1 1 26 26 ALA HA H 1 4.13 0.01 . 1 . . . . 26 ALA HA . 15559 1 296 . 1 1 26 26 ALA HB1 H 1 1.48 0.01 . 1 . . . . 26 ALA HB . 15559 1 297 . 1 1 26 26 ALA HB2 H 1 1.48 0.01 . 1 . . . . 26 ALA HB . 15559 1 298 . 1 1 26 26 ALA HB3 H 1 1.48 0.01 . 1 . . . . 26 ALA HB . 15559 1 299 . 1 1 26 26 ALA CA C 13 54.45 0.03 . 1 . . . . 26 ALA CA . 15559 1 300 . 1 1 26 26 ALA CB C 13 17.77 0.03 . 1 . . . . 26 ALA CB . 15559 1 301 . 1 1 27 27 GLY H H 1 7.88 0.01 . 1 . . . . 27 GLY H . 15559 1 302 . 1 1 27 27 GLY HA2 H 1 3.96 0.01 . 1 . . . . 27 GLY HA2 . 15559 1 303 . 1 1 27 27 GLY HA3 H 1 3.96 0.01 . 1 . . . . 27 GLY HA3 . 15559 1 304 . 1 1 27 27 GLY CA C 13 45.97 0.03 . 1 . . . . 27 GLY CA . 15559 1 305 . 1 1 28 28 LEU H H 1 7.69 0.01 . 1 . . . . 28 LEU H . 15559 1 306 . 1 1 28 28 LEU HA H 1 4.34 0.01 . 1 . . . . 28 LEU HA . 15559 1 307 . 1 1 28 28 LEU HB2 H 1 1.61 0.01 . 2 . . . . 28 LEU HB2 . 15559 1 308 . 1 1 28 28 LEU HB3 H 1 1.79 0.01 . 2 . . . . 28 LEU HB3 . 15559 1 309 . 1 1 28 28 LEU HD11 H 1 0.87 0.01 . 1 . . . . 28 LEU HD1 . 15559 1 310 . 1 1 28 28 LEU HD12 H 1 0.87 0.01 . 1 . . . . 28 LEU HD1 . 15559 1 311 . 1 1 28 28 LEU HD13 H 1 0.87 0.01 . 1 . . . . 28 LEU HD1 . 15559 1 312 . 1 1 28 28 LEU HD21 H 1 0.82 0.01 . 1 . . . . 28 LEU HD2 . 15559 1 313 . 1 1 28 28 LEU HD22 H 1 0.82 0.01 . 1 . . . . 28 LEU HD2 . 15559 1 314 . 1 1 28 28 LEU HD23 H 1 0.82 0.01 . 1 . . . . 28 LEU HD2 . 15559 1 315 . 1 1 28 28 LEU HG H 1 1.68 0.01 . 1 . . . . 28 LEU HG . 15559 1 316 . 1 1 28 28 LEU CA C 13 55.93 0.03 . 1 . . . . 28 LEU CA . 15559 1 317 . 1 1 28 28 LEU CB C 13 42.36 0.03 . 1 . . . . 28 LEU CB . 15559 1 318 . 1 1 28 28 LEU CD1 C 13 24.77 0.03 . 2 . . . . 28 LEU CD1 . 15559 1 319 . 1 1 28 28 LEU CD2 C 13 22.45 0.03 . 2 . . . . 28 LEU CD2 . 15559 1 320 . 1 1 28 28 LEU CG C 13 26.49 0.03 . 1 . . . . 28 LEU CG . 15559 1 321 . 1 1 29 29 SER H H 1 7.82 0.01 . 1 . . . . 29 SER H . 15559 1 322 . 1 1 29 29 SER HA H 1 4.57 0.01 . 1 . . . . 29 SER HA . 15559 1 323 . 1 1 29 29 SER HB2 H 1 3.96 0.01 . 2 . . . . 29 SER HB2 . 15559 1 324 . 1 1 29 29 SER HB3 H 1 4.00 0.01 . 2 . . . . 29 SER HB3 . 15559 1 325 . 1 1 29 29 SER CB C 13 64.11 0.03 . 1 . . . . 29 SER CB . 15559 1 326 . 1 1 30 30 THR H H 1 7.74 0.01 . 1 . . . . 30 THR H . 15559 1 327 . 1 1 30 30 THR HA H 1 4.55 0.01 . 1 . . . . 30 THR HA . 15559 1 328 . 1 1 30 30 THR HB H 1 4.43 0.01 . 1 . . . . 30 THR HB . 15559 1 329 . 1 1 30 30 THR HG21 H 1 1.28 0.01 . 1 . . . . 30 THR HG2 . 15559 1 330 . 1 1 30 30 THR HG22 H 1 1.28 0.01 . 1 . . . . 30 THR HG2 . 15559 1 331 . 1 1 30 30 THR HG23 H 1 1.28 0.01 . 1 . . . . 30 THR HG2 . 15559 1 332 . 1 1 30 30 THR CG2 C 13 21.27 0.03 . 1 . . . . 30 THR CG2 . 15559 1 stop_ save_