################################### # 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_chemical_shifts_set_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_set_one _Assigned_chem_shift_list.Entry_ID 4377 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $experimental_conditions_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_set_one _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 $sample_one . 4377 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 21 21 GLY H H 1 8.48 0.015 . 1 . . . . . . . . 4377 1 2 . 1 1 21 21 GLY HA2 H 1 3.98 0.015 . 1 . . . . . . . . 4377 1 3 . 1 1 21 21 GLY HA3 H 1 3.98 0.015 . 1 . . . . . . . . 4377 1 4 . 1 1 22 22 ASN H H 1 8.24 0.015 . 1 . . . . . . . . 4377 1 5 . 1 1 22 22 ASN HA H 1 4.75 0.015 . 1 . . . . . . . . 4377 1 6 . 1 1 22 22 ASN HB2 H 1 2.76 0.015 . 2 . . . . . . . . 4377 1 7 . 1 1 22 22 ASN HB3 H 1 2.85 0.015 . 2 . . . . . . . . 4377 1 8 . 1 1 23 23 GLN H H 1 8.10 0.015 . 1 . . . . . . . . 4377 1 9 . 1 1 23 23 GLN HA H 1 4.85 0.015 . 1 . . . . . . . . 4377 1 10 . 1 1 23 23 GLN HB2 H 1 1.92 0.015 . 1 . . . . . . . . 4377 1 11 . 1 1 23 23 GLN HB3 H 1 1.98 0.015 . 1 . . . . . . . . 4377 1 12 . 1 1 23 23 GLN HG2 H 1 2.24 0.015 . 2 . . . . . . . . 4377 1 13 . 1 1 23 23 GLN HG3 H 1 2.36 0.015 . 2 . . . . . . . . 4377 1 14 . 1 1 23 23 GLN HE21 H 1 6.78 0.015 . 2 . . . . . . . . 4377 1 15 . 1 1 23 23 GLN HE22 H 1 7.31 0.015 . 2 . . . . . . . . 4377 1 16 . 1 1 24 24 GLN H H 1 8.70 0.015 . 1 . . . . . . . . 4377 1 17 . 1 1 24 24 GLN HA H 1 4.73 0.015 . 1 . . . . . . . . 4377 1 18 . 1 1 24 24 GLN HB2 H 1 1.75 0.015 . 4 . . . . . . . . 4377 1 19 . 1 1 24 24 GLN HB3 H 1 2.10 0.015 . 4 . . . . . . . . 4377 1 20 . 1 1 24 24 GLN HG2 H 1 2.15 0.015 . 4 . . . . . . . . 4377 1 21 . 1 1 24 24 GLN HG3 H 1 2.15 0.015 . 4 . . . . . . . . 4377 1 22 . 1 1 24 24 GLN HE21 H 1 6.45 0.015 . 2 . . . . . . . . 4377 1 23 . 1 1 24 24 GLN HE22 H 1 7.14 0.015 . 2 . . . . . . . . 4377 1 24 . 1 1 25 25 CYS H H 1 9.73 0.015 . 1 . . . . . . . . 4377 1 25 . 1 1 25 25 CYS HA H 1 4.99 0.015 . 1 . . . . . . . . 4377 1 26 . 1 1 25 25 CYS HB2 H 1 3.07 0.015 . 1 . . . . . . . . 4377 1 27 . 1 1 25 25 CYS HB3 H 1 2.68 0.015 . 1 . . . . . . . . 4377 1 28 . 1 1 26 26 ASN H H 1 9.12 0.015 . 1 . . . . . . . . 4377 1 29 . 1 1 26 26 ASN HA H 1 4.77 0.015 . 1 . . . . . . . . 4377 1 30 . 1 1 26 26 ASN HB2 H 1 2.50 0.015 . 1 . . . . . . . . 4377 1 31 . 1 1 26 26 ASN HB3 H 1 3.46 0.015 . 1 . . . . . . . . 4377 1 32 . 1 1 26 26 ASN HD21 H 1 6.82 0.015 . 2 . . . . . . . . 4377 1 33 . 1 1 26 26 ASN HD22 H 1 7.30 0.015 . 2 . . . . . . . . 4377 1 34 . 1 1 27 27 TRP H H 1 9.22 0.015 . 1 . . . . . . . . 4377 1 35 . 1 1 27 27 TRP HA H 1 5.12 0.015 . 1 . . . . . . . . 4377 1 36 . 1 1 27 27 TRP HB2 H 1 2.70 0.015 . 1 . . . . . . . . 4377 1 37 . 1 1 27 27 TRP HB3 H 1 3.85 0.015 . 1 . . . . . . . . 4377 1 38 . 1 1 27 27 TRP HD1 H 1 7.21 0.015 . 1 . . . . . . . . 4377 1 39 . 1 1 27 27 TRP HE1 H 1 9.53 0.015 . 1 . . . . . . . . 4377 1 40 . 1 1 27 27 TRP HE3 H 1 7.57 0.015 . 1 . . . . . . . . 4377 1 41 . 1 1 27 27 TRP HZ2 H 1 7.46 0.015 . 1 . . . . . . . . 4377 1 42 . 1 1 27 27 TRP HZ3 H 1 6.90 0.015 . 1 . . . . . . . . 4377 1 43 . 1 1 27 27 TRP HH2 H 1 7.22 0.015 . 1 . . . . . . . . 4377 1 44 . 1 1 28 28 TYR H H 1 8.05 0.015 . 1 . . . . . . . . 4377 1 45 . 1 1 28 28 TYR HA H 1 1.20 0.015 . 1 . . . . . . . . 4377 1 46 . 1 1 28 28 TYR HB2 H 1 2.17 0.015 . 1 . . . . . . . . 4377 1 47 . 1 1 28 28 TYR HB3 H 1 2.72 0.015 . 1 . . . . . . . . 4377 1 48 . 1 1 28 28 TYR HD1 H 1 5.57 0.015 . 1 . . . . . . . . 4377 1 49 . 1 1 28 28 TYR HD2 H 1 5.57 0.015 . 1 . . . . . . . . 4377 1 50 . 1 1 28 28 TYR HE1 H 1 5.88 0.015 . 1 . . . . . . . . 4377 1 51 . 1 1 28 28 TYR HE2 H 1 5.88 0.015 . 1 . . . . . . . . 4377 1 52 . 1 1 29 29 GLY H H 1 7.15 0.015 . 1 . . . . . . . . 4377 1 53 . 1 1 29 29 GLY HA2 H 1 3.90 0.015 . 1 . . . . . . . . 4377 1 54 . 1 1 29 29 GLY HA3 H 1 3.90 0.015 . 1 . . . . . . . . 4377 1 55 . 1 1 30 30 THR H H 1 8.05 0.015 . 1 . . . . . . . . 4377 1 56 . 1 1 30 30 THR HA H 1 4.55 0.015 . 1 . . . . . . . . 4377 1 57 . 1 1 30 30 THR HB H 1 4.30 0.015 . 1 . . . . . . . . 4377 1 58 . 1 1 30 30 THR HG21 H 1 1.13 0.015 . 1 . . . . . . . . 4377 1 59 . 1 1 30 30 THR HG22 H 1 1.13 0.015 . 1 . . . . . . . . 4377 1 60 . 1 1 30 30 THR HG23 H 1 1.13 0.015 . 1 . . . . . . . . 4377 1 61 . 1 1 31 31 LEU H H 1 8.27 0.015 . 1 . . . . . . . . 4377 1 62 . 1 1 31 31 LEU HA H 1 5.29 0.015 . 1 . . . . . . . . 4377 1 63 . 1 1 31 31 LEU HB2 H 1 1.20 0.015 . 2 . . . . . . . . 4377 1 64 . 1 1 31 31 LEU HB3 H 1 1.63 0.015 . 2 . . . . . . . . 4377 1 65 . 1 1 31 31 LEU HG H 1 1.62 0.015 . 1 . . . . . . . . 4377 1 66 . 1 1 31 31 LEU HD11 H 1 0.70 0.015 . 2 . . . . . . . . 4377 1 67 . 1 1 31 31 LEU HD12 H 1 0.70 0.015 . 2 . . . . . . . . 4377 1 68 . 1 1 31 31 LEU HD13 H 1 0.70 0.015 . 2 . . . . . . . . 4377 1 69 . 1 1 31 31 LEU HD21 H 1 0.82 0.015 . 2 . . . . . . . . 4377 1 70 . 1 1 31 31 LEU HD22 H 1 0.82 0.015 . 2 . . . . . . . . 4377 1 71 . 1 1 31 31 LEU HD23 H 1 0.82 0.015 . 2 . . . . . . . . 4377 1 72 . 1 1 32 32 TYR H H 1 9.22 0.015 . 1 . . . . . . . . 4377 1 73 . 1 1 32 32 TYR HA H 1 4.86 0.015 . 1 . . . . . . . . 4377 1 74 . 1 1 32 32 TYR HB2 H 1 2.30 0.015 . 1 . . . . . . . . 4377 1 75 . 1 1 32 32 TYR HB3 H 1 2.92 0.015 . 1 . . . . . . . . 4377 1 76 . 1 1 32 32 TYR HD1 H 1 7.22 0.015 . 1 . . . . . . . . 4377 1 77 . 1 1 32 32 TYR HD2 H 1 7.22 0.015 . 1 . . . . . . . . 4377 1 78 . 1 1 32 32 TYR HE1 H 1 6.98 0.015 . 1 . . . . . . . . 4377 1 79 . 1 1 32 32 TYR HE2 H 1 6.98 0.015 . 1 . . . . . . . . 4377 1 80 . 1 1 33 33 PRO HA H 1 4.63 0.015 . 1 . . . . . . . . 4377 1 81 . 1 1 33 33 PRO HB2 H 1 1.75 0.015 . 2 . . . . . . . . 4377 1 82 . 1 1 33 33 PRO HB3 H 1 2.36 0.015 . 2 . . . . . . . . 4377 1 83 . 1 1 33 33 PRO HG2 H 1 1.93 0.015 . 2 . . . . . . . . 4377 1 84 . 1 1 33 33 PRO HG3 H 1 2.07 0.015 . 2 . . . . . . . . 4377 1 85 . 1 1 33 33 PRO HD2 H 1 3.86 0.015 . 2 . . . . . . . . 4377 1 86 . 1 1 33 33 PRO HD3 H 1 4.10 0.015 . 2 . . . . . . . . 4377 1 87 . 1 1 34 34 LEU H H 1 8.22 0.015 . 1 . . . . . . . . 4377 1 88 . 1 1 34 34 LEU HA H 1 5.27 0.015 . 1 . . . . . . . . 4377 1 89 . 1 1 34 34 LEU HB2 H 1 1.32 0.015 . 2 . . . . . . . . 4377 1 90 . 1 1 34 34 LEU HB3 H 1 1.60 0.015 . 2 . . . . . . . . 4377 1 91 . 1 1 34 34 LEU HG H 1 1.49 0.015 . 1 . . . . . . . . 4377 1 92 . 1 1 34 34 LEU HD11 H 1 0.80 0.015 . 1 . . . . . . . . 4377 1 93 . 1 1 34 34 LEU HD12 H 1 0.80 0.015 . 1 . . . . . . . . 4377 1 94 . 1 1 34 34 LEU HD13 H 1 0.80 0.015 . 1 . . . . . . . . 4377 1 95 . 1 1 34 34 LEU HD21 H 1 0.80 0.015 . 1 . . . . . . . . 4377 1 96 . 1 1 34 34 LEU HD22 H 1 0.80 0.015 . 1 . . . . . . . . 4377 1 97 . 1 1 34 34 LEU HD23 H 1 0.80 0.015 . 1 . . . . . . . . 4377 1 98 . 1 1 35 35 CYS H H 1 8.10 0.015 . 1 . . . . . . . . 4377 1 99 . 1 1 35 35 CYS HA H 1 4.56 0.015 . 1 . . . . . . . . 4377 1 100 . 1 1 35 35 CYS HB2 H 1 2.27 0.015 . 2 . . . . . . . . 4377 1 101 . 1 1 35 35 CYS HB3 H 1 3.72 0.015 . 2 . . . . . . . . 4377 1 102 . 1 1 36 36 VAL H H 1 10.79 0.015 . 1 . . . . . . . . 4377 1 103 . 1 1 36 36 VAL HA H 1 4.18 0.015 . 1 . . . . . . . . 4377 1 104 . 1 1 36 36 VAL HB H 1 2.10 0.015 . 1 . . . . . . . . 4377 1 105 . 1 1 36 36 VAL HG11 H 1 0.92 0.015 . 1 . . . . . . . . 4377 1 106 . 1 1 36 36 VAL HG12 H 1 0.92 0.015 . 1 . . . . . . . . 4377 1 107 . 1 1 36 36 VAL HG13 H 1 0.92 0.015 . 1 . . . . . . . . 4377 1 108 . 1 1 36 36 VAL HG21 H 1 0.98 0.015 . 1 . . . . . . . . 4377 1 109 . 1 1 36 36 VAL HG22 H 1 0.98 0.015 . 1 . . . . . . . . 4377 1 110 . 1 1 36 36 VAL HG23 H 1 0.98 0.015 . 1 . . . . . . . . 4377 1 111 . 1 1 37 37 THR H H 1 8.94 0.015 . 1 . . . . . . . . 4377 1 112 . 1 1 37 37 THR HA H 1 4.35 0.015 . 1 . . . . . . . . 4377 1 113 . 1 1 37 37 THR HB H 1 4.22 0.015 . 1 . . . . . . . . 4377 1 114 . 1 1 37 37 THR HG21 H 1 1.20 0.015 . 1 . . . . . . . . 4377 1 115 . 1 1 37 37 THR HG22 H 1 1.20 0.015 . 1 . . . . . . . . 4377 1 116 . 1 1 37 37 THR HG23 H 1 1.20 0.015 . 1 . . . . . . . . 4377 1 117 . 1 1 38 38 THR H H 1 7.69 0.015 . 1 . . . . . . . . 4377 1 118 . 1 1 38 38 THR HA H 1 4.27 0.015 . 1 . . . . . . . . 4377 1 119 . 1 1 38 38 THR HB H 1 3.81 0.015 . 1 . . . . . . . . 4377 1 120 . 1 1 38 38 THR HG21 H 1 1.02 0.015 . 1 . . . . . . . . 4377 1 121 . 1 1 38 38 THR HG22 H 1 1.02 0.015 . 1 . . . . . . . . 4377 1 122 . 1 1 38 38 THR HG23 H 1 1.02 0.015 . 1 . . . . . . . . 4377 1 123 . 1 1 39 39 THR H H 1 8.47 0.015 . 1 . . . . . . . . 4377 1 124 . 1 1 39 39 THR HA H 1 4.22 0.015 . 4 . . . . . . . . 4377 1 125 . 1 1 39 39 THR HB H 1 4.22 0.015 . 4 . . . . . . . . 4377 1 126 . 1 1 39 39 THR HG21 H 1 1.21 0.015 . 1 . . . . . . . . 4377 1 127 . 1 1 39 39 THR HG22 H 1 1.21 0.015 . 1 . . . . . . . . 4377 1 128 . 1 1 39 39 THR HG23 H 1 1.21 0.015 . 1 . . . . . . . . 4377 1 129 . 1 1 40 40 ASN H H 1 7.42 0.015 . 1 . . . . . . . . 4377 1 130 . 1 1 40 40 ASN HA H 1 4.52 0.015 . 1 . . . . . . . . 4377 1 131 . 1 1 40 40 ASN HB2 H 1 2.60 0.015 . 1 . . . . . . . . 4377 1 132 . 1 1 40 40 ASN HB3 H 1 2.60 0.015 . 1 . . . . . . . . 4377 1 133 . 1 1 41 41 GLY H H 1 8.43 0.015 . 1 . . . . . . . . 4377 1 134 . 1 1 41 41 GLY HA2 H 1 3.59 0.015 . 2 . . . . . . . . 4377 1 135 . 1 1 41 41 GLY HA3 H 1 4.12 0.015 . 2 . . . . . . . . 4377 1 136 . 1 1 42 42 TRP H H 1 8.14 0.015 . 1 . . . . . . . . 4377 1 137 . 1 1 42 42 TRP HA H 1 4.87 0.015 . 1 . . . . . . . . 4377 1 138 . 1 1 42 42 TRP HB2 H 1 2.86 0.015 . 1 . . . . . . . . 4377 1 139 . 1 1 42 42 TRP HB3 H 1 3.30 0.015 . 1 . . . . . . . . 4377 1 140 . 1 1 42 42 TRP HD1 H 1 6.99 0.015 . 1 . . . . . . . . 4377 1 141 . 1 1 42 42 TRP HE1 H 1 8.52 0.015 . 1 . . . . . . . . 4377 1 142 . 1 1 42 42 TRP HE3 H 1 7.24 0.015 . 1 . . . . . . . . 4377 1 143 . 1 1 42 42 TRP HZ2 H 1 5.62 0.015 . 1 . . . . . . . . 4377 1 144 . 1 1 42 42 TRP HZ3 H 1 6.02 0.015 . 1 . . . . . . . . 4377 1 145 . 1 1 42 42 TRP HH2 H 1 5.60 0.015 . 1 . . . . . . . . 4377 1 146 . 1 1 43 43 GLY H H 1 9.02 0.015 . 1 . . . . . . . . 4377 1 147 . 1 1 43 43 GLY HA2 H 1 3.80 0.015 . 2 . . . . . . . . 4377 1 148 . 1 1 43 43 GLY HA3 H 1 4.81 0.015 . 2 . . . . . . . . 4377 1 149 . 1 1 44 44 TRP H H 1 8.49 0.015 . 1 . . . . . . . . 4377 1 150 . 1 1 44 44 TRP HA H 1 5.26 0.015 . 1 . . . . . . . . 4377 1 151 . 1 1 44 44 TRP HB2 H 1 2.91 0.015 . 1 . . . . . . . . 4377 1 152 . 1 1 44 44 TRP HB3 H 1 3.25 0.015 . 1 . . . . . . . . 4377 1 153 . 1 1 44 44 TRP HD1 H 1 7.07 0.015 . 1 . . . . . . . . 4377 1 154 . 1 1 44 44 TRP HE1 H 1 9.75 0.015 . 1 . . . . . . . . 4377 1 155 . 1 1 44 44 TRP HE3 H 1 7.46 0.015 . 1 . . . . . . . . 4377 1 156 . 1 1 44 44 TRP HZ2 H 1 7.30 0.015 . 1 . . . . . . . . 4377 1 157 . 1 1 44 44 TRP HZ3 H 1 7.12 0.015 . 1 . . . . . . . . 4377 1 158 . 1 1 44 44 TRP HH2 H 1 7.20 0.015 . 1 . . . . . . . . 4377 1 159 . 1 1 45 45 GLU H H 1 8.20 0.015 . 1 . . . . . . . . 4377 1 160 . 1 1 45 45 GLU HA H 1 4.51 0.015 . 1 . . . . . . . . 4377 1 161 . 1 1 45 45 GLU HB2 H 1 1.58 0.015 . 2 . . . . . . . . 4377 1 162 . 1 1 45 45 GLU HB3 H 1 1.92 0.015 . 2 . . . . . . . . 4377 1 163 . 1 1 45 45 GLU HG2 H 1 2.20 0.015 . 2 . . . . . . . . 4377 1 164 . 1 1 45 45 GLU HG3 H 1 2.38 0.015 . 2 . . . . . . . . 4377 1 165 . 1 1 46 46 ASP H H 1 9.00 0.015 . 1 . . . . . . . . 4377 1 166 . 1 1 46 46 ASP HA H 1 4.15 0.015 . 1 . . . . . . . . 4377 1 167 . 1 1 46 46 ASP HB2 H 1 2.48 0.015 . 2 . . . . . . . . 4377 1 168 . 1 1 46 46 ASP HB3 H 1 2.86 0.015 . 2 . . . . . . . . 4377 1 169 . 1 1 47 47 GLN H H 1 8.15 0.015 . 1 . . . . . . . . 4377 1 170 . 1 1 47 47 GLN HA H 1 3.03 0.015 . 1 . . . . . . . . 4377 1 171 . 1 1 47 47 GLN HB2 H 1 2.15 0.015 . 4 . . . . . . . . 4377 1 172 . 1 1 47 47 GLN HB3 H 1 2.15 0.015 . 4 . . . . . . . . 4377 1 173 . 1 1 47 47 GLN HG2 H 1 2.28 0.015 . 4 . . . . . . . . 4377 1 174 . 1 1 47 47 GLN HG3 H 1 2.28 0.015 . 4 . . . . . . . . 4377 1 175 . 1 1 47 47 GLN HE21 H 1 6.71 0.015 . 2 . . . . . . . . 4377 1 176 . 1 1 47 47 GLN HE22 H 1 7.30 0.015 . 2 . . . . . . . . 4377 1 177 . 1 1 48 48 ARG H H 1 6.72 0.015 . 1 . . . . . . . . 4377 1 178 . 1 1 48 48 ARG HA H 1 4.04 0.015 . 1 . . . . . . . . 4377 1 179 . 1 1 48 48 ARG HB2 H 1 1.76 0.015 . 1 . . . . . . . . 4377 1 180 . 1 1 48 48 ARG HB3 H 1 1.76 0.015 . 1 . . . . . . . . 4377 1 181 . 1 1 48 48 ARG HG2 H 1 1.41 0.015 . 2 . . . . . . . . 4377 1 182 . 1 1 48 48 ARG HG3 H 1 1.58 0.015 . 2 . . . . . . . . 4377 1 183 . 1 1 48 48 ARG HD2 H 1 3.05 0.015 . 2 . . . . . . . . 4377 1 184 . 1 1 48 48 ARG HD3 H 1 3.15 0.015 . 2 . . . . . . . . 4377 1 185 . 1 1 48 48 ARG HE H 1 7.20 0.015 . 1 . . . . . . . . 4377 1 186 . 1 1 49 49 SER H H 1 8.03 0.015 . 1 . . . . . . . . 4377 1 187 . 1 1 49 49 SER HA H 1 5.07 0.015 . 1 . . . . . . . . 4377 1 188 . 1 1 49 49 SER HB2 H 1 4.10 0.015 . 1 . . . . . . . . 4377 1 189 . 1 1 49 49 SER HB3 H 1 4.03 0.015 . 1 . . . . . . . . 4377 1 190 . 1 1 50 50 CYS H H 1 8.55 0.015 . 1 . . . . . . . . 4377 1 191 . 1 1 50 50 CYS HA H 1 5.11 0.015 . 1 . . . . . . . . 4377 1 192 . 1 1 50 50 CYS HB2 H 1 2.90 0.015 . 1 . . . . . . . . 4377 1 193 . 1 1 50 50 CYS HB3 H 1 2.80 0.015 . 1 . . . . . . . . 4377 1 194 . 1 1 51 51 ILE H H 1 8.30 0.015 . 1 . . . . . . . . 4377 1 195 . 1 1 51 51 ILE HA H 1 3.82 0.015 . 1 . . . . . . . . 4377 1 196 . 1 1 51 51 ILE HB H 1 0.34 0.015 . 1 . . . . . . . . 4377 1 197 . 1 1 51 51 ILE HG12 H 1 -0.95 0.015 . 2 . . . . . . . . 4377 1 198 . 1 1 51 51 ILE HG13 H 1 0.00 0.015 . 2 . . . . . . . . 4377 1 199 . 1 1 51 51 ILE HG21 H 1 0.30 0.015 . 1 . . . . . . . . 4377 1 200 . 1 1 51 51 ILE HG22 H 1 0.30 0.015 . 1 . . . . . . . . 4377 1 201 . 1 1 51 51 ILE HG23 H 1 0.30 0.015 . 1 . . . . . . . . 4377 1 202 . 1 1 51 51 ILE HD11 H 1 -0.75 0.015 . 1 . . . . . . . . 4377 1 203 . 1 1 51 51 ILE HD12 H 1 -0.75 0.015 . 1 . . . . . . . . 4377 1 204 . 1 1 51 51 ILE HD13 H 1 -0.75 0.015 . 1 . . . . . . . . 4377 1 205 . 1 1 52 52 ALA H H 1 8.17 0.015 . 1 . . . . . . . . 4377 1 206 . 1 1 52 52 ALA HA H 1 4.03 0.015 . 1 . . . . . . . . 4377 1 207 . 1 1 52 52 ALA HB1 H 1 1.11 0.015 . 1 . . . . . . . . 4377 1 208 . 1 1 52 52 ALA HB2 H 1 1.11 0.015 . 1 . . . . . . . . 4377 1 209 . 1 1 52 52 ALA HB3 H 1 1.11 0.015 . 1 . . . . . . . . 4377 1 210 . 1 1 53 53 ARG H H 1 8.89 0.015 . 1 . . . . . . . . 4377 1 211 . 1 1 53 53 ARG HA H 1 3.70 0.015 . 1 . . . . . . . . 4377 1 212 . 1 1 53 53 ARG HB2 H 1 1.86 0.015 . 1 . . . . . . . . 4377 1 213 . 1 1 53 53 ARG HB3 H 1 1.86 0.015 . 1 . . . . . . . . 4377 1 214 . 1 1 53 53 ARG HG2 H 1 1.58 0.015 . 2 . . . . . . . . 4377 1 215 . 1 1 53 53 ARG HG3 H 1 1.69 0.015 . 2 . . . . . . . . 4377 1 216 . 1 1 53 53 ARG HD2 H 1 3.27 0.015 . 1 . . . . . . . . 4377 1 217 . 1 1 53 53 ARG HD3 H 1 3.27 0.015 . 1 . . . . . . . . 4377 1 218 . 1 1 53 53 ARG HE H 1 7.41 0.015 . 1 . . . . . . . . 4377 1 219 . 1 1 54 54 SER H H 1 8.94 0.015 . 1 . . . . . . . . 4377 1 220 . 1 1 54 54 SER HA H 1 4.07 0.015 . 1 . . . . . . . . 4377 1 221 . 1 1 54 54 SER HB2 H 1 3.94 0.015 . 2 . . . . . . . . 4377 1 222 . 1 1 54 54 SER HB3 H 1 4.00 0.015 . 2 . . . . . . . . 4377 1 223 . 1 1 55 55 THR H H 1 6.82 0.015 . 1 . . . . . . . . 4377 1 224 . 1 1 55 55 THR HA H 1 4.07 0.015 . 1 . . . . . . . . 4377 1 225 . 1 1 55 55 THR HB H 1 3.75 0.015 . 1 . . . . . . . . 4377 1 226 . 1 1 55 55 THR HG21 H 1 1.22 0.015 . 1 . . . . . . . . 4377 1 227 . 1 1 55 55 THR HG22 H 1 1.22 0.015 . 1 . . . . . . . . 4377 1 228 . 1 1 55 55 THR HG23 H 1 1.22 0.015 . 1 . . . . . . . . 4377 1 229 . 1 1 56 56 CYS H H 1 8.49 0.015 . 1 . . . . . . . . 4377 1 230 . 1 1 56 56 CYS HA H 1 4.26 0.015 . 1 . . . . . . . . 4377 1 231 . 1 1 56 56 CYS HB2 H 1 2.69 0.015 . 1 . . . . . . . . 4377 1 232 . 1 1 56 56 CYS HB3 H 1 3.32 0.015 . 1 . . . . . . . . 4377 1 233 . 1 1 57 57 ALA H H 1 8.28 0.015 . 1 . . . . . . . . 4377 1 234 . 1 1 57 57 ALA HA H 1 4.36 0.015 . 1 . . . . . . . . 4377 1 235 . 1 1 57 57 ALA HB1 H 1 1.50 0.015 . 1 . . . . . . . . 4377 1 236 . 1 1 57 57 ALA HB2 H 1 1.50 0.015 . 1 . . . . . . . . 4377 1 237 . 1 1 57 57 ALA HB3 H 1 1.50 0.015 . 1 . . . . . . . . 4377 1 238 . 1 1 58 58 ALA H H 1 7.17 0.015 . 1 . . . . . . . . 4377 1 239 . 1 1 58 58 ALA HA H 1 4.48 0.015 . 1 . . . . . . . . 4377 1 240 . 1 1 58 58 ALA HB1 H 1 1.60 0.015 . 1 . . . . . . . . 4377 1 241 . 1 1 58 58 ALA HB2 H 1 1.60 0.015 . 1 . . . . . . . . 4377 1 242 . 1 1 58 58 ALA HB3 H 1 1.60 0.015 . 1 . . . . . . . . 4377 1 243 . 1 1 59 59 GLN H H 1 7.10 0.015 . 1 . . . . . . . . 4377 1 244 . 1 1 59 59 GLN HA H 1 4.25 0.015 . 1 . . . . . . . . 4377 1 245 . 1 1 59 59 GLN HB2 H 1 1.42 0.015 . 2 . . . . . . . . 4377 1 246 . 1 1 59 59 GLN HB3 H 1 1.52 0.015 . 2 . . . . . . . . 4377 1 247 . 1 1 59 59 GLN HG2 H 1 1.95 0.015 . 2 . . . . . . . . 4377 1 248 . 1 1 59 59 GLN HG3 H 1 2.56 0.015 . 2 . . . . . . . . 4377 1 249 . 1 1 59 59 GLN HE21 H 1 7.25 0.015 . 2 . . . . . . . . 4377 1 250 . 1 1 59 59 GLN HE22 H 1 7.92 0.015 . 2 . . . . . . . . 4377 1 251 . 1 1 60 60 PRO HA H 1 4.58 0.015 . 1 . . . . . . . . 4377 1 252 . 1 1 60 60 PRO HB2 H 1 2.10 0.015 . 2 . . . . . . . . 4377 1 253 . 1 1 60 60 PRO HB3 H 1 2.30 0.015 . 2 . . . . . . . . 4377 1 254 . 1 1 60 60 PRO HG2 H 1 2.22 0.015 . 1 . . . . . . . . 4377 1 255 . 1 1 60 60 PRO HG3 H 1 2.22 0.015 . 1 . . . . . . . . 4377 1 256 . 1 1 60 60 PRO HD2 H 1 3.58 0.015 . 2 . . . . . . . . 4377 1 257 . 1 1 60 60 PRO HD3 H 1 3.80 0.015 . 2 . . . . . . . . 4377 1 258 . 1 1 61 61 ALA H H 1 7.95 0.015 . 1 . . . . . . . . 4377 1 259 . 1 1 61 61 ALA HA H 1 4.22 0.015 . 1 . . . . . . . . 4377 1 260 . 1 1 61 61 ALA HB1 H 1 1.25 0.015 . 1 . . . . . . . . 4377 1 261 . 1 1 61 61 ALA HB2 H 1 1.25 0.015 . 1 . . . . . . . . 4377 1 262 . 1 1 61 61 ALA HB3 H 1 1.25 0.015 . 1 . . . . . . . . 4377 1 263 . 1 1 62 62 PRO HA H 1 4.38 0.015 . 1 . . . . . . . . 4377 1 264 . 1 1 62 62 PRO HB2 H 1 1.76 0.015 . 2 . . . . . . . . 4377 1 265 . 1 1 62 62 PRO HB3 H 1 2.15 0.015 . 2 . . . . . . . . 4377 1 266 . 1 1 62 62 PRO HG2 H 1 0.52 0.015 . 2 . . . . . . . . 4377 1 267 . 1 1 62 62 PRO HG3 H 1 1.52 0.015 . 2 . . . . . . . . 4377 1 268 . 1 1 62 62 PRO HD2 H 1 3.02 0.015 . 1 . . . . . . . . 4377 1 269 . 1 1 62 62 PRO HD3 H 1 3.02 0.015 . 1 . . . . . . . . 4377 1 270 . 1 1 63 63 PHE H H 1 7.89 0.015 . 1 . . . . . . . . 4377 1 271 . 1 1 63 63 PHE HA H 1 4.52 0.015 . 1 . . . . . . . . 4377 1 272 . 1 1 63 63 PHE HB2 H 1 2.38 0.015 . 2 . . . . . . . . 4377 1 273 . 1 1 63 63 PHE HB3 H 1 3.60 0.015 . 2 . . . . . . . . 4377 1 274 . 1 1 63 63 PHE HD1 H 1 6.84 0.015 . 1 . . . . . . . . 4377 1 275 . 1 1 63 63 PHE HD2 H 1 6.84 0.015 . 1 . . . . . . . . 4377 1 276 . 1 1 63 63 PHE HE1 H 1 7.22 0.015 . 1 . . . . . . . . 4377 1 277 . 1 1 63 63 PHE HE2 H 1 7.22 0.015 . 1 . . . . . . . . 4377 1 278 . 1 1 63 63 PHE HZ H 1 7.16 0.015 . 1 . . . . . . . . 4377 1 279 . 1 1 64 64 GLY H H 1 7.93 0.015 . 1 . . . . . . . . 4377 1 280 . 1 1 64 64 GLY HA2 H 1 3.78 0.015 . 2 . . . . . . . . 4377 1 281 . 1 1 64 64 GLY HA3 H 1 4.71 0.015 . 2 . . . . . . . . 4377 1 282 . 1 1 65 65 ILE H H 1 8.66 0.015 . 1 . . . . . . . . 4377 1 283 . 1 1 65 65 ILE HA H 1 4.29 0.015 . 1 . . . . . . . . 4377 1 284 . 1 1 65 65 ILE HB H 1 1.75 0.015 . 1 . . . . . . . . 4377 1 285 . 1 1 65 65 ILE HG12 H 1 0.99 0.015 . 2 . . . . . . . . 4377 1 286 . 1 1 65 65 ILE HG13 H 1 1.09 0.015 . 2 . . . . . . . . 4377 1 287 . 1 1 65 65 ILE HG21 H 1 0.90 0.015 . 1 . . . . . . . . 4377 1 288 . 1 1 65 65 ILE HG22 H 1 0.90 0.015 . 1 . . . . . . . . 4377 1 289 . 1 1 65 65 ILE HG23 H 1 0.90 0.015 . 1 . . . . . . . . 4377 1 290 . 1 1 65 65 ILE HD11 H 1 1.57 0.015 . 1 . . . . . . . . 4377 1 291 . 1 1 65 65 ILE HD12 H 1 1.57 0.015 . 1 . . . . . . . . 4377 1 292 . 1 1 65 65 ILE HD13 H 1 1.57 0.015 . 1 . . . . . . . . 4377 1 293 . 1 1 66 66 VAL H H 1 8.81 0.015 . 1 . . . . . . . . 4377 1 294 . 1 1 66 66 VAL HA H 1 4.56 0.015 . 1 . . . . . . . . 4377 1 295 . 1 1 66 66 VAL HB H 1 2.14 0.015 . 1 . . . . . . . . 4377 1 296 . 1 1 66 66 VAL HG11 H 1 0.97 0.015 . 1 . . . . . . . . 4377 1 297 . 1 1 66 66 VAL HG12 H 1 0.97 0.015 . 1 . . . . . . . . 4377 1 298 . 1 1 66 66 VAL HG13 H 1 0.97 0.015 . 1 . . . . . . . . 4377 1 299 . 1 1 66 66 VAL HG21 H 1 0.85 0.015 . 1 . . . . . . . . 4377 1 300 . 1 1 66 66 VAL HG22 H 1 0.85 0.015 . 1 . . . . . . . . 4377 1 301 . 1 1 66 66 VAL HG23 H 1 0.85 0.015 . 1 . . . . . . . . 4377 1 302 . 1 1 67 67 GLY H H 1 8.35 0.015 . 1 . . . . . . . . 4377 1 303 . 1 1 67 67 GLY HA2 H 1 4.15 0.015 . 1 . . . . . . . . 4377 1 304 . 1 1 67 67 GLY HA3 H 1 4.15 0.015 . 1 . . . . . . . . 4377 1 305 . 1 1 68 68 SER H H 1 8.19 0.015 . 1 . . . . . . . . 4377 1 306 . 1 1 68 68 SER HA H 1 4.49 0.015 . 1 . . . . . . . . 4377 1 307 . 1 1 68 68 SER HB2 H 1 3.82 0.015 . 2 . . . . . . . . 4377 1 308 . 1 1 68 68 SER HB3 H 1 3.88 0.015 . 2 . . . . . . . . 4377 1 stop_ save_