################################### # 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 15143 _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-1H TOCSY' . . . 15143 1 3 '2D 1H-1H NOESY' . . . 15143 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 2 2 ASN H H 1 8.14 0.03 . 1 . . . . 2 ASN H . 15143 1 2 . 1 1 2 2 ASN HA H 1 5.0 0.03 . 1 . . . . 2 ASN HA . 15143 1 3 . 1 1 2 2 ASN HB2 H 1 3.21 0.03 . 2 . . . . 2 ASN HB2 . 15143 1 4 . 1 1 2 2 ASN HB3 H 1 2.95 0.03 . 2 . . . . 2 ASN HB3 . 15143 1 5 . 1 1 3 3 CYS H H 1 9.04 0.03 . 1 . . . . 3 CYS H . 15143 1 6 . 1 1 3 3 CYS HA H 1 4.55 0.03 . 1 . . . . 3 CYS HA . 15143 1 7 . 1 1 3 3 CYS HB2 H 1 2.97 0.03 . 2 . . . . 3 CYS HB2 . 15143 1 8 . 1 1 3 3 CYS HB3 H 1 3.25 0.03 . 2 . . . . 3 CYS HB3 . 15143 1 9 . 1 1 4 4 GLY H H 1 8.81 0.03 . 1 . . . . 4 GLY H . 15143 1 10 . 1 1 4 4 GLY HA2 H 1 3.92 0.03 . 2 . . . . 4 GLY HA2 . 15143 1 11 . 1 1 4 4 GLY HA3 H 1 4.03 0.03 . 2 . . . . 4 GLY HA3 . 15143 1 12 . 1 1 5 5 GLN H H 1 8.01 0.03 . 1 . . . . 5 GLN H . 15143 1 13 . 1 1 5 5 GLN HA H 1 4.23 0.03 . 1 . . . . 5 GLN HA . 15143 1 14 . 1 1 5 5 GLN HB2 H 1 2.37 0.03 . 2 . . . . 5 GLN HB2 . 15143 1 15 . 1 1 6 6 VAL H H 1 7.61 0.03 . 1 . . . . 6 VAL H . 15143 1 16 . 1 1 6 6 VAL HA H 1 3.59 0.03 . 1 . . . . 6 VAL HA . 15143 1 17 . 1 1 6 6 VAL HB H 1 2.27 0.03 . 1 . . . . 6 VAL HB . 15143 1 18 . 1 1 7 7 ASP H H 1 8.53 0.03 . 1 . . . . 7 ASP H . 15143 1 19 . 1 1 7 7 ASP HA H 1 4.05 0.03 . 1 . . . . 7 ASP HA . 15143 1 20 . 1 1 8 8 SER H H 1 8.29 0.03 . 1 . . . . 8 SER H . 15143 1 21 . 1 1 9 9 LYS H H 1 7.97 0.03 . 1 . . . . 9 LYS H . 15143 1 22 . 1 1 9 9 LYS HA H 1 4.17 0.03 . 1 . . . . 9 LYS HA . 15143 1 23 . 1 1 9 9 LYS HB2 H 1 1.97 0.03 . 2 . . . . 9 LYS HB2 . 15143 1 24 . 1 1 10 10 MET H H 1 7.32 0.03 . 1 . . . . 10 MET H . 15143 1 25 . 1 1 10 10 MET HA H 1 4.69 0.03 . 1 . . . . 10 MET HA . 15143 1 26 . 1 1 10 10 MET HB2 H 1 1.96 0.03 . 2 . . . . 10 MET HB2 . 15143 1 27 . 1 1 10 10 MET HB3 H 1 2.04 0.03 . 2 . . . . 10 MET HB3 . 15143 1 28 . 1 1 11 11 LYS H H 1 7.49 0.03 . 1 . . . . 11 LYS H . 15143 1 29 . 1 1 11 11 LYS HA H 1 4.08 0.03 . 1 . . . . 11 LYS HA . 15143 1 30 . 1 1 11 11 LYS HB2 H 1 1.98 0.03 . 2 . . . . 11 LYS HB2 . 15143 1 31 . 1 1 13 13 CYS H H 1 8.97 0.03 . 1 . . . . 13 CYS H . 15143 1 32 . 1 1 13 13 CYS HA H 1 4.84 0.03 . 1 . . . . 13 CYS HA . 15143 1 33 . 1 1 13 13 CYS HB2 H 1 3.35 0.03 . 2 . . . . 13 CYS HB2 . 15143 1 34 . 1 1 13 13 CYS HB3 H 1 3.24 0.03 . 2 . . . . 13 CYS HB3 . 15143 1 35 . 1 1 14 14 LEU H H 1 8.41 0.03 . 1 . . . . 14 LEU H . 15143 1 36 . 1 1 14 14 LEU HA H 1 4.11 0.03 . 1 . . . . 14 LEU HA . 15143 1 37 . 1 1 15 15 THR H H 1 8.40 0.03 . 1 . . . . 15 THR H . 15143 1 38 . 1 1 15 15 THR HA H 1 4.13 0.03 . 1 . . . . 15 THR HA . 15143 1 39 . 1 1 15 15 THR HB H 1 4.29 0.03 . 1 . . . . 15 THR HB . 15143 1 40 . 1 1 15 15 THR HG21 H 1 1.43 0.03 . 1 . . . . 15 THR HG2 . 15143 1 41 . 1 1 15 15 THR HG22 H 1 1.43 0.03 . 1 . . . . 15 THR HG2 . 15143 1 42 . 1 1 15 15 THR HG23 H 1 1.43 0.03 . 1 . . . . 15 THR HG2 . 15143 1 43 . 1 1 16 16 TYR H H 1 7.35 0.03 . 1 . . . . 16 TYR H . 15143 1 44 . 1 1 16 16 TYR HA H 1 4.55 0.03 . 1 . . . . 16 TYR HA . 15143 1 45 . 1 1 16 16 TYR HB2 H 1 3.06 0.03 . 2 . . . . 16 TYR HB2 . 15143 1 46 . 1 1 16 16 TYR HB3 H 1 3.52 0.03 . 2 . . . . 16 TYR HB3 . 15143 1 47 . 1 1 17 17 VAL H H 1 8.29 0.03 . 1 . . . . 17 VAL H . 15143 1 48 . 1 1 17 17 VAL HA H 1 3.84 0.03 . 1 . . . . 17 VAL HA . 15143 1 49 . 1 1 17 17 VAL HB H 1 2.46 0.03 . 1 . . . . 17 VAL HB . 15143 1 50 . 1 1 18 18 GLN H H 1 7.58 0.03 . 1 . . . . 18 GLN H . 15143 1 51 . 1 1 18 18 GLN HA H 1 4.75 0.03 . 1 . . . . 18 GLN HA . 15143 1 52 . 1 1 18 18 GLN HB2 H 1 2.13 0.03 . 2 . . . . 18 GLN HB2 . 15143 1 53 . 1 1 19 19 GLY H H 1 8.34 0.03 . 1 . . . . 19 GLY H . 15143 1 54 . 1 1 19 19 GLY HA2 H 1 3.72 0.03 . 2 . . . . 19 GLY HA2 . 15143 1 55 . 1 1 19 19 GLY HA3 H 1 4.47 0.03 . 2 . . . . 19 GLY HA3 . 15143 1 56 . 1 1 20 20 GLY H H 1 7.78 0.03 . 1 . . . . 20 GLY H . 15143 1 57 . 1 1 20 20 GLY HA2 H 1 3.46 0.03 . 2 . . . . 20 GLY HA2 . 15143 1 58 . 1 1 20 20 GLY HA3 H 1 4.61 0.03 . 2 . . . . 20 GLY HA3 . 15143 1 59 . 1 1 22 22 GLY H H 1 8.15 0.03 . 1 . . . . 22 GLY H . 15143 1 60 . 1 1 22 22 GLY HA2 H 1 3.24 0.03 . 2 . . . . 22 GLY HA2 . 15143 1 61 . 1 1 22 22 GLY HA3 H 1 4.13 0.03 . 2 . . . . 22 GLY HA3 . 15143 1 62 . 1 1 24 24 SER H H 1 8.93 0.03 . 1 . . . . 24 SER H . 15143 1 63 . 1 1 24 24 SER HA H 1 4.44 0.03 . 1 . . . . 24 SER HA . 15143 1 64 . 1 1 24 24 SER HB2 H 1 4.15 0.03 . 2 . . . . 24 SER HB2 . 15143 1 65 . 1 1 25 25 GLY H H 1 9.05 0.03 . 1 . . . . 25 GLY H . 15143 1 66 . 1 1 25 25 GLY HA2 H 1 3.80 0.03 . 2 . . . . 25 GLY HA2 . 15143 1 67 . 1 1 25 25 GLY HA3 H 1 3.96 0.03 . 2 . . . . 25 GLY HA3 . 15143 1 68 . 1 1 26 26 GLU H H 1 8.56 0.03 . 1 . . . . 26 GLU H . 15143 1 69 . 1 1 26 26 GLU HA H 1 4.16 0.03 . 1 . . . . 26 GLU HA . 15143 1 70 . 1 1 26 26 GLU HB2 H 1 2.01 0.03 . 2 . . . . 26 GLU HB2 . 15143 1 71 . 1 1 26 26 GLU HB3 H 1 2.07 0.03 . 2 . . . . 26 GLU HB3 . 15143 1 72 . 1 1 27 27 CYS H H 1 7.99 0.03 . 1 . . . . 27 CYS H . 15143 1 73 . 1 1 27 27 CYS HA H 1 4.34 0.03 . 1 . . . . 27 CYS HA . 15143 1 74 . 1 1 27 27 CYS HB2 H 1 3.32 0.03 . 2 . . . . 27 CYS HB2 . 15143 1 75 . 1 1 27 27 CYS HB3 H 1 2.89 0.03 . 2 . . . . 27 CYS HB3 . 15143 1 76 . 1 1 28 28 CYS H H 1 8.17 0.03 . 1 . . . . 28 CYS H . 15143 1 77 . 1 1 28 28 CYS HA H 1 4.69 0.03 . 1 . . . . 28 CYS HA . 15143 1 78 . 1 1 28 28 CYS HB2 H 1 2.83 0.03 . 2 . . . . 28 CYS HB2 . 15143 1 79 . 1 1 28 28 CYS HB3 H 1 3.03 0.03 . 2 . . . . 28 CYS HB3 . 15143 1 80 . 1 1 29 29 ASN H H 1 8.81 0.03 . 1 . . . . 29 ASN H . 15143 1 81 . 1 1 29 29 ASN HA H 1 4.46 0.03 . 1 . . . . 29 ASN HA . 15143 1 82 . 1 1 29 29 ASN HB2 H 1 2.94 0.03 . 2 . . . . 29 ASN HB2 . 15143 1 83 . 1 1 29 29 ASN HB3 H 1 2.90 0.03 . 2 . . . . 29 ASN HB3 . 15143 1 84 . 1 1 30 30 GLY H H 1 7.98 0.03 . 1 . . . . 30 GLY H . 15143 1 85 . 1 1 30 30 GLY HA2 H 1 3.87 0.03 . 2 . . . . 30 GLY HA2 . 15143 1 86 . 1 1 30 30 GLY HA3 H 1 4.13 0.03 . 2 . . . . 30 GLY HA3 . 15143 1 87 . 1 1 31 31 VAL H H 1 7.98 0.03 . 1 . . . . 31 VAL H . 15143 1 88 . 1 1 31 31 VAL HA H 1 3.75 0.03 . 1 . . . . 31 VAL HA . 15143 1 89 . 1 1 31 31 VAL HB H 1 2.13 0.03 . 1 . . . . 31 VAL HB . 15143 1 90 . 1 1 32 32 ARG H H 1 8.46 0.03 . 1 . . . . 32 ARG H . 15143 1 91 . 1 1 32 32 ARG HA H 1 3.86 0.03 . 1 . . . . 32 ARG HA . 15143 1 92 . 1 1 33 33 ASP H H 1 8.45 0.03 . 1 . . . . 33 ASP H . 15143 1 93 . 1 1 33 33 ASP HA H 1 4.40 0.03 . 1 . . . . 33 ASP HA . 15143 1 94 . 1 1 33 33 ASP HB2 H 1 3.01 0.03 . 2 . . . . 33 ASP HB2 . 15143 1 95 . 1 1 33 33 ASP HB3 H 1 2.76 0.03 . 2 . . . . 33 ASP HB3 . 15143 1 96 . 1 1 34 34 LEU H H 1 8.11 0.03 . 1 . . . . 34 LEU H . 15143 1 97 . 1 1 34 34 LEU HA H 1 4.01 0.03 . 1 . . . . 34 LEU HA . 15143 1 98 . 1 1 34 34 LEU HB2 H 1 1.62 0.03 . 2 . . . . 34 LEU HB2 . 15143 1 99 . 1 1 36 36 ASN H H 1 8.45 0.03 . 1 . . . . 36 ASN H . 15143 1 100 . 1 1 36 36 ASN HA H 1 4.47 0.03 . 1 . . . . 36 ASN HA . 15143 1 101 . 1 1 36 36 ASN HB2 H 1 2.93 0.03 . 2 . . . . 36 ASN HB2 . 15143 1 102 . 1 1 36 36 ASN HB3 H 1 3.05 0.03 . 2 . . . . 36 ASN HB3 . 15143 1 103 . 1 1 37 37 GLN H H 1 8.14 0.03 . 1 . . . . 37 GLN H . 15143 1 104 . 1 1 37 37 GLN HA H 1 4.26 0.03 . 1 . . . . 37 GLN HA . 15143 1 105 . 1 1 37 37 GLN HB2 H 1 2.10 0.03 . 2 . . . . 37 GLN HB2 . 15143 1 106 . 1 1 37 37 GLN HB3 H 1 2.17 0.03 . 2 . . . . 37 GLN HB3 . 15143 1 107 . 1 1 38 38 ALA H H 1 7.48 0.03 . 1 . . . . 38 ALA H . 15143 1 108 . 1 1 38 38 ALA HA H 1 4.52 0.03 . 1 . . . . 38 ALA HA . 15143 1 109 . 1 1 38 38 ALA HB1 H 1 1.24 0.03 . 1 . . . . 38 ALA HB . 15143 1 110 . 1 1 38 38 ALA HB2 H 1 1.24 0.03 . 1 . . . . 38 ALA HB . 15143 1 111 . 1 1 38 38 ALA HB3 H 1 1.24 0.03 . 1 . . . . 38 ALA HB . 15143 1 112 . 1 1 39 39 GLN H H 1 8.43 0.03 . 1 . . . . 39 GLN H . 15143 1 113 . 1 1 39 39 GLN HA H 1 4.33 0.03 . 1 . . . . 39 GLN HA . 15143 1 114 . 1 1 39 39 GLN HB2 H 1 2.27 0.03 . 2 . . . . 39 GLN HB2 . 15143 1 115 . 1 1 40 40 SER H H 1 8.40 0.03 . 1 . . . . 40 SER H . 15143 1 116 . 1 1 40 40 SER HA H 1 4.74 0.03 . 1 . . . . 40 SER HA . 15143 1 117 . 1 1 41 41 SER H H 1 9.10 0.03 . 1 . . . . 41 SER H . 15143 1 118 . 1 1 41 41 SER HA H 1 4.14 0.03 . 1 . . . . 41 SER HA . 15143 1 119 . 1 1 41 41 SER HB2 H 1 3.96 0.03 . 2 . . . . 41 SER HB2 . 15143 1 120 . 1 1 41 41 SER HB3 H 1 3.99 0.03 . 2 . . . . 41 SER HB3 . 15143 1 121 . 1 1 42 42 GLY H H 1 8.59 0.03 . 1 . . . . 42 GLY H . 15143 1 122 . 1 1 42 42 GLY HA2 H 1 3.87 0.03 . 2 . . . . 42 GLY HA2 . 15143 1 123 . 1 1 42 42 GLY HA3 H 1 3.96 0.03 . 2 . . . . 42 GLY HA3 . 15143 1 124 . 1 1 43 43 ASP H H 1 7.98 0.03 . 1 . . . . 43 ASP H . 15143 1 125 . 1 1 43 43 ASP HA H 1 4.55 0.03 . 1 . . . . 43 ASP HA . 15143 1 126 . 1 1 43 43 ASP HB2 H 1 2.52 0.03 . 2 . . . . 43 ASP HB2 . 15143 1 127 . 1 1 43 43 ASP HB3 H 1 2.79 0.03 . 2 . . . . 43 ASP HB3 . 15143 1 128 . 1 1 44 44 ARG H H 1 8.34 0.03 . 1 . . . . 44 ARG H . 15143 1 129 . 1 1 44 44 ARG HA H 1 3.88 0.03 . 1 . . . . 44 ARG HA . 15143 1 130 . 1 1 44 44 ARG HB2 H 1 1.80 0.03 . 2 . . . . 44 ARG HB2 . 15143 1 131 . 1 1 44 44 ARG HB3 H 1 1.99 0.03 . 2 . . . . 44 ARG HB3 . 15143 1 132 . 1 1 45 45 GLN H H 1 8.50 0.03 . 1 . . . . 45 GLN H . 15143 1 133 . 1 1 45 45 GLN HA H 1 3.83 0.03 . 1 . . . . 45 GLN HA . 15143 1 134 . 1 1 45 45 GLN HB2 H 1 2.18 0.03 . 2 . . . . 45 GLN HB2 . 15143 1 135 . 1 1 45 45 GLN HB3 H 1 2.13 0.03 . 2 . . . . 45 GLN HB3 . 15143 1 136 . 1 1 46 46 THR H H 1 8.33 0.03 . 1 . . . . 46 THR H . 15143 1 137 . 1 1 46 46 THR HA H 1 4.06 0.03 . 1 . . . . 46 THR HA . 15143 1 138 . 1 1 46 46 THR HB H 1 4.43 0.03 . 1 . . . . 46 THR HB . 15143 1 139 . 1 1 47 47 VAL H H 1 8.33 0.03 . 1 . . . . 47 VAL H . 15143 1 140 . 1 1 47 47 VAL HA H 1 3.24 0.03 . 1 . . . . 47 VAL HA . 15143 1 141 . 1 1 47 47 VAL HB H 1 2.14 0.03 . 1 . . . . 47 VAL HB . 15143 1 142 . 1 1 49 49 ASN H H 1 8.59 0.03 . 1 . . . . 49 ASN H . 15143 1 143 . 1 1 49 49 ASN HA H 1 4.40 0.03 . 1 . . . . 49 ASN HA . 15143 1 144 . 1 1 49 49 ASN HB2 H 1 2.72 0.03 . 2 . . . . 49 ASN HB2 . 15143 1 145 . 1 1 49 49 ASN HB3 H 1 2.87 0.03 . 2 . . . . 49 ASN HB3 . 15143 1 146 . 1 1 50 50 CYS H H 1 8.96 0.03 . 1 . . . . 50 CYS H . 15143 1 147 . 1 1 50 50 CYS HA H 1 4.65 0.03 . 1 . . . . 50 CYS HA . 15143 1 148 . 1 1 50 50 CYS HB2 H 1 3.12 0.03 . 2 . . . . 50 CYS HB2 . 15143 1 149 . 1 1 51 51 LEU H H 1 8.76 0.03 . 1 . . . . 51 LEU H . 15143 1 150 . 1 1 51 51 LEU HA H 1 3.96 0.03 . 1 . . . . 51 LEU HA . 15143 1 151 . 1 1 51 51 LEU HB2 H 1 2.23 0.03 . 2 . . . . 51 LEU HB2 . 15143 1 152 . 1 1 52 52 LYS H H 1 8.17 0.03 . 1 . . . . 52 LYS H . 15143 1 153 . 1 1 52 52 LYS HA H 1 4.33 0.03 . 1 . . . . 52 LYS HA . 15143 1 154 . 1 1 53 53 GLY H H 1 7.81 0.03 . 1 . . . . 53 GLY H . 15143 1 155 . 1 1 53 53 GLY HA2 H 1 3.83 0.03 . 2 . . . . 53 GLY HA2 . 15143 1 156 . 1 1 53 53 GLY HA3 H 1 4.04 0.03 . 2 . . . . 53 GLY HA3 . 15143 1 157 . 1 1 54 54 ILE H H 1 8.47 0.03 . 1 . . . . 54 ILE H . 15143 1 158 . 1 1 54 54 ILE HA H 1 3.76 0.03 . 1 . . . . 54 ILE HA . 15143 1 159 . 1 1 55 55 ALA H H 1 8.53 0.03 . 1 . . . . 55 ALA H . 15143 1 160 . 1 1 55 55 ALA HA H 1 3.81 0.03 . 1 . . . . 55 ALA HA . 15143 1 161 . 1 1 55 55 ALA HB1 H 1 1.29 0.03 . 1 . . . . 55 ALA HB . 15143 1 162 . 1 1 55 55 ALA HB2 H 1 1.29 0.03 . 1 . . . . 55 ALA HB . 15143 1 163 . 1 1 55 55 ALA HB3 H 1 1.29 0.03 . 1 . . . . 55 ALA HB . 15143 1 164 . 1 1 56 56 ARG H H 1 7.59 0.03 . 1 . . . . 56 ARG H . 15143 1 165 . 1 1 56 56 ARG HA H 1 4.07 0.03 . 1 . . . . 56 ARG HA . 15143 1 166 . 1 1 56 56 ARG HB2 H 1 1.96 0.03 . 2 . . . . 56 ARG HB2 . 15143 1 167 . 1 1 57 57 GLY H H 1 7.69 0.03 . 1 . . . . 57 GLY H . 15143 1 168 . 1 1 57 57 GLY HA2 H 1 3.64 0.03 . 2 . . . . 57 GLY HA2 . 15143 1 169 . 1 1 57 57 GLY HA3 H 1 4.28 0.03 . 2 . . . . 57 GLY HA3 . 15143 1 170 . 1 1 58 58 ILE H H 1 7.10 0.03 . 1 . . . . 58 ILE H . 15143 1 171 . 1 1 58 58 ILE HA H 1 4.09 0.03 . 1 . . . . 58 ILE HA . 15143 1 172 . 1 1 58 58 ILE HB H 1 1.86 0.03 . 1 . . . . 58 ILE HB . 15143 1 173 . 1 1 59 59 HIS H H 1 8.72 0.03 . 1 . . . . 59 HIS H . 15143 1 174 . 1 1 59 59 HIS HA H 1 4.56 0.03 . 1 . . . . 59 HIS HA . 15143 1 175 . 1 1 59 59 HIS HB2 H 1 3.22 0.03 . 2 . . . . 59 HIS HB2 . 15143 1 176 . 1 1 60 60 ASN H H 1 8.75 0.03 . 1 . . . . 60 ASN H . 15143 1 177 . 1 1 60 60 ASN HA H 1 4.44 0.03 . 1 . . . . 60 ASN HA . 15143 1 178 . 1 1 60 60 ASN HB2 H 1 2.81 0.03 . 2 . . . . 60 ASN HB2 . 15143 1 179 . 1 1 60 60 ASN HB3 H 1 2.92 0.03 . 2 . . . . 60 ASN HB3 . 15143 1 180 . 1 1 61 61 LEU H H 1 7.36 0.03 . 1 . . . . 61 LEU H . 15143 1 181 . 1 1 61 61 LEU HA H 1 3.88 0.03 . 1 . . . . 61 LEU HA . 15143 1 182 . 1 1 61 61 LEU HB2 H 1 1.71 0.03 . 2 . . . . 61 LEU HB2 . 15143 1 183 . 1 1 62 62 ASN H H 1 9.12 0.03 . 1 . . . . 62 ASN H . 15143 1 184 . 1 1 62 62 ASN HA H 1 4.77 0.03 . 1 . . . . 62 ASN HA . 15143 1 185 . 1 1 62 62 ASN HB2 H 1 2.41 0.03 . 2 . . . . 62 ASN HB2 . 15143 1 186 . 1 1 62 62 ASN HB3 H 1 2.69 0.03 . 2 . . . . 62 ASN HB3 . 15143 1 187 . 1 1 63 63 LEU H H 1 8.54 0.03 . 1 . . . . 63 LEU H . 15143 1 188 . 1 1 63 63 LEU HA H 1 3.86 0.03 . 1 . . . . 63 LEU HA . 15143 1 189 . 1 1 63 63 LEU HB2 H 1 1.61 0.03 . 2 . . . . 63 LEU HB2 . 15143 1 190 . 1 1 64 64 ASN H H 1 8.29 0.03 . 1 . . . . 64 ASN H . 15143 1 191 . 1 1 64 64 ASN HA H 1 4.45 0.03 . 1 . . . . 64 ASN HA . 15143 1 192 . 1 1 64 64 ASN HB2 H 1 2.87 0.03 . 2 . . . . 64 ASN HB2 . 15143 1 193 . 1 1 65 65 ASN H H 1 8.51 0.03 . 1 . . . . 65 ASN H . 15143 1 194 . 1 1 65 65 ASN HA H 1 4.18 0.03 . 1 . . . . 65 ASN HA . 15143 1 195 . 1 1 66 66 ALA H H 1 8.18 0.03 . 1 . . . . 66 ALA H . 15143 1 196 . 1 1 66 66 ALA HA H 1 3.89 0.03 . 1 . . . . 66 ALA HA . 15143 1 197 . 1 1 66 66 ALA HB1 H 1 1.38 0.03 . 1 . . . . 66 ALA HB . 15143 1 198 . 1 1 66 66 ALA HB2 H 1 1.38 0.03 . 1 . . . . 66 ALA HB . 15143 1 199 . 1 1 66 66 ALA HB3 H 1 1.38 0.03 . 1 . . . . 66 ALA HB . 15143 1 200 . 1 1 67 67 ALA H H 1 8.00 0.03 . 1 . . . . 67 ALA H . 15143 1 201 . 1 1 67 67 ALA HA H 1 4.34 0.03 . 1 . . . . 67 ALA HA . 15143 1 202 . 1 1 67 67 ALA HB1 H 1 1.60 0.03 . 1 . . . . 67 ALA HB . 15143 1 203 . 1 1 67 67 ALA HB2 H 1 1.60 0.03 . 1 . . . . 67 ALA HB . 15143 1 204 . 1 1 67 67 ALA HB3 H 1 1.60 0.03 . 1 . . . . 67 ALA HB . 15143 1 205 . 1 1 68 68 SER H H 1 7.79 0.03 . 1 . . . . 68 SER H . 15143 1 206 . 1 1 68 68 SER HA H 1 4.59 0.03 . 1 . . . . 68 SER HA . 15143 1 207 . 1 1 68 68 SER HB2 H 1 4.10 0.03 . 2 . . . . 68 SER HB2 . 15143 1 208 . 1 1 68 68 SER HB3 H 1 4.32 0.03 . 2 . . . . 68 SER HB3 . 15143 1 209 . 1 1 69 69 ILE H H 1 7.32 0.03 . 1 . . . . 69 ILE H . 15143 1 210 . 1 1 69 69 ILE HA H 1 3.73 0.03 . 1 . . . . 69 ILE HA . 15143 1 211 . 1 1 69 69 ILE HB H 1 2.05 0.03 . 1 . . . . 69 ILE HB . 15143 1 212 . 1 1 71 71 SER H H 1 8.00 0.03 . 1 . . . . 71 SER H . 15143 1 213 . 1 1 71 71 SER HA H 1 4.29 0.03 . 1 . . . . 71 SER HA . 15143 1 214 . 1 1 71 71 SER HB2 H 1 3.99 0.03 . 2 . . . . 71 SER HB2 . 15143 1 215 . 1 1 72 72 LYS H H 1 8.51 0.03 . 1 . . . . 72 LYS H . 15143 1 216 . 1 1 72 72 LYS HA H 1 4.18 0.03 . 1 . . . . 72 LYS HA . 15143 1 217 . 1 1 72 72 LYS HB2 H 1 1.64 0.03 . 2 . . . . 72 LYS HB2 . 15143 1 218 . 1 1 72 72 LYS HB3 H 1 1.85 0.03 . 2 . . . . 72 LYS HB3 . 15143 1 219 . 1 1 73 73 CYS H H 1 8.10 0.03 . 1 . . . . 73 CYS H . 15143 1 220 . 1 1 73 73 CYS HA H 1 4.82 0.03 . 1 . . . . 73 CYS HA . 15143 1 221 . 1 1 73 73 CYS HB2 H 1 3.01 0.03 . 2 . . . . 73 CYS HB2 . 15143 1 222 . 1 1 73 73 CYS HB3 H 1 2.66 0.03 . 2 . . . . 73 CYS HB3 . 15143 1 223 . 1 1 74 74 ASN H H 1 7.95 0.03 . 1 . . . . 74 ASN H . 15143 1 224 . 1 1 74 74 ASN HA H 1 4.35 0.03 . 1 . . . . 74 ASN HA . 15143 1 225 . 1 1 74 74 ASN HB2 H 1 2.71 0.03 . 2 . . . . 74 ASN HB2 . 15143 1 226 . 1 1 74 74 ASN HB3 H 1 3.16 0.03 . 2 . . . . 74 ASN HB3 . 15143 1 227 . 1 1 75 75 VAL H H 1 8.40 0.03 . 1 . . . . 75 VAL H . 15143 1 228 . 1 1 75 75 VAL HA H 1 4.09 0.03 . 1 . . . . 75 VAL HA . 15143 1 229 . 1 1 75 75 VAL HB H 1 1.46 0.03 . 1 . . . . 75 VAL HB . 15143 1 230 . 1 1 76 76 ASN H H 1 8.38 0.03 . 1 . . . . 76 ASN H . 15143 1 231 . 1 1 76 76 ASN HA H 1 4.58 0.03 . 1 . . . . 76 ASN HA . 15143 1 232 . 1 1 76 76 ASN HB2 H 1 2.58 0.03 . 2 . . . . 76 ASN HB2 . 15143 1 233 . 1 1 76 76 ASN HB3 H 1 2.71 0.03 . 2 . . . . 76 ASN HB3 . 15143 1 234 . 1 1 77 77 VAL H H 1 7.67 0.03 . 1 . . . . 77 VAL H . 15143 1 235 . 1 1 77 77 VAL HA H 1 4.37 0.03 . 1 . . . . 77 VAL HA . 15143 1 236 . 1 1 77 77 VAL HB H 1 1.58 0.03 . 1 . . . . 77 VAL HB . 15143 1 237 . 1 1 79 79 TYR H H 1 6.71 0.03 . 1 . . . . 79 TYR H . 15143 1 238 . 1 1 79 79 TYR HA H 1 4.80 0.03 . 1 . . . . 79 TYR HA . 15143 1 239 . 1 1 79 79 TYR HB2 H 1 2.97 0.03 . 2 . . . . 79 TYR HB2 . 15143 1 240 . 1 1 79 79 TYR HB3 H 1 3.02 0.03 . 2 . . . . 79 TYR HB3 . 15143 1 241 . 1 1 80 80 THR H H 1 8.21 0.03 . 1 . . . . 80 THR H . 15143 1 242 . 1 1 80 80 THR HA H 1 4.51 0.03 . 1 . . . . 80 THR HA . 15143 1 243 . 1 1 80 80 THR HB H 1 4.05 0.03 . 1 . . . . 80 THR HB . 15143 1 244 . 1 1 81 81 ILE H H 1 9.02 0.03 . 1 . . . . 81 ILE H . 15143 1 245 . 1 1 81 81 ILE HA H 1 3.76 0.03 . 1 . . . . 81 ILE HA . 15143 1 246 . 1 1 81 81 ILE HB H 1 1.87 0.03 . 1 . . . . 81 ILE HB . 15143 1 247 . 1 1 82 82 SER H H 1 7.23 0.03 . 1 . . . . 82 SER H . 15143 1 248 . 1 1 82 82 SER HA H 1 4.63 0.03 . 1 . . . . 82 SER HA . 15143 1 249 . 1 1 82 82 SER HB2 H 1 3.67 0.03 . 2 . . . . 82 SER HB2 . 15143 1 250 . 1 1 82 82 SER HB3 H 1 4.09 0.03 . 2 . . . . 82 SER HB3 . 15143 1 251 . 1 1 84 84 ASP H H 1 8.12 0.03 . 1 . . . . 84 ASP H . 15143 1 252 . 1 1 84 84 ASP HA H 1 4.90 0.03 . 1 . . . . 84 ASP HA . 15143 1 253 . 1 1 84 84 ASP HB2 H 1 2.84 0.03 . 2 . . . . 84 ASP HB2 . 15143 1 254 . 1 1 84 84 ASP HB3 H 1 2.44 0.03 . 2 . . . . 84 ASP HB3 . 15143 1 255 . 1 1 85 85 ILE H H 1 6.83 0.03 . 1 . . . . 85 ILE H . 15143 1 256 . 1 1 85 85 ILE HA H 1 3.91 0.03 . 1 . . . . 85 ILE HA . 15143 1 257 . 1 1 85 85 ILE HB H 1 1.73 0.03 . 1 . . . . 85 ILE HB . 15143 1 258 . 1 1 86 86 ASP H H 1 8.29 0.03 . 1 . . . . 86 ASP H . 15143 1 259 . 1 1 86 86 ASP HA H 1 4.85 0.03 . 1 . . . . 86 ASP HA . 15143 1 260 . 1 1 86 86 ASP HB2 H 1 2.64 0.03 . 2 . . . . 86 ASP HB2 . 15143 1 261 . 1 1 86 86 ASP HB3 H 1 2.93 0.03 . 2 . . . . 86 ASP HB3 . 15143 1 262 . 1 1 87 87 CYS H H 1 8.57 0.03 . 1 . . . . 87 CYS H . 15143 1 263 . 1 1 87 87 CYS HA H 1 4.48 0.03 . 1 . . . . 87 CYS HA . 15143 1 264 . 1 1 87 87 CYS HB2 H 1 3.11 0.03 . 2 . . . . 87 CYS HB2 . 15143 1 265 . 1 1 87 87 CYS HB3 H 1 2.85 0.03 . 2 . . . . 87 CYS HB3 . 15143 1 266 . 1 1 88 88 SER H H 1 8.45 0.03 . 1 . . . . 88 SER H . 15143 1 267 . 1 1 88 88 SER HA H 1 4.23 0.03 . 1 . . . . 88 SER HA . 15143 1 268 . 1 1 88 88 SER HB2 H 1 4.00 0.03 . 2 . . . . 88 SER HB2 . 15143 1 269 . 1 1 89 89 ARG H H 1 7.46 0.03 . 1 . . . . 89 ARG H . 15143 1 270 . 1 1 89 89 ARG HA H 1 4.46 0.03 . 1 . . . . 89 ARG HA . 15143 1 271 . 1 1 89 89 ARG HB2 H 1 2.06 0.03 . 2 . . . . 89 ARG HB2 . 15143 1 272 . 1 1 89 89 ARG HB3 H 1 1.56 0.03 . 2 . . . . 89 ARG HB3 . 15143 1 273 . 1 1 90 90 ILE H H 1 7.21 0.03 . 1 . . . . 90 ILE H . 15143 1 274 . 1 1 90 90 ILE HA H 1 4.13 0.03 . 1 . . . . 90 ILE HA . 15143 1 275 . 1 1 90 90 ILE HB H 1 1.99 0.03 . 1 . . . . 90 ILE HB . 15143 1 276 . 1 1 91 91 TYR H H 1 7.59 0.03 . 1 . . . . 91 TYR H . 15143 1 277 . 1 1 91 91 TYR HA H 1 4.48 0.03 . 1 . . . . 91 TYR HA . 15143 1 278 . 1 1 91 91 TYR HB2 H 1 2.90 0.03 . 2 . . . . 91 TYR HB2 . 15143 1 279 . 1 1 91 91 TYR HB3 H 1 3.15 0.03 . 2 . . . . 91 TYR HB3 . 15143 1 stop_ save_