################################### # 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_chemical_shift_assignment_data_set_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_data_set_one _Assigned_chem_shift_list.Entry_ID 2956 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_set_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_par_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 . 2956 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 3 3 PRO HA H 1 4.48 . . 1 . . . . . . . . 2956 1 2 . 1 1 3 3 PRO HB2 H 1 2.28 . . 2 . . . . . . . . 2956 1 3 . 1 1 3 3 PRO HB3 H 1 1.85 . . 2 . . . . . . . . 2956 1 4 . 1 1 3 3 PRO HG2 H 1 2.03 . . 2 . . . . . . . . 2956 1 5 . 1 1 3 3 PRO HG3 H 1 2 . . 2 . . . . . . . . 2956 1 6 . 1 1 3 3 PRO HD2 H 1 3.46 . . 1 . . . . . . . . 2956 1 7 . 1 1 3 3 PRO HD3 H 1 3.46 . . 1 . . . . . . . . 2956 1 8 . 1 1 4 4 VAL H H 1 8.32 . . 1 . . . . . . . . 2956 1 9 . 1 1 4 4 VAL HA H 1 4.33 . . 1 . . . . . . . . 2956 1 10 . 1 1 4 4 VAL HB H 1 1.36 . . 1 . . . . . . . . 2956 1 11 . 1 1 4 4 VAL HG11 H 1 1.05 . . 2 . . . . . . . . 2956 1 12 . 1 1 4 4 VAL HG12 H 1 1.05 . . 2 . . . . . . . . 2956 1 13 . 1 1 4 4 VAL HG13 H 1 1.05 . . 2 . . . . . . . . 2956 1 14 . 1 1 4 4 VAL HG21 H 1 1.14 . . 2 . . . . . . . . 2956 1 15 . 1 1 4 4 VAL HG22 H 1 1.14 . . 2 . . . . . . . . 2956 1 16 . 1 1 4 4 VAL HG23 H 1 1.14 . . 2 . . . . . . . . 2956 1 17 . 1 1 5 5 THR H H 1 8.06 . . 1 . . . . . . . . 2956 1 18 . 1 1 5 5 THR HA H 1 4.19 . . 1 . . . . . . . . 2956 1 19 . 1 1 5 5 THR HB H 1 4.06 . . 1 . . . . . . . . 2956 1 20 . 1 1 5 5 THR HG21 H 1 .88 . . 1 . . . . . . . . 2956 1 21 . 1 1 5 5 THR HG22 H 1 .88 . . 1 . . . . . . . . 2956 1 22 . 1 1 5 5 THR HG23 H 1 .88 . . 1 . . . . . . . . 2956 1 23 . 1 1 6 6 LEU HB2 H 1 1.17 . . 1 . . . . . . . . 2956 1 24 . 1 1 6 6 LEU HB3 H 1 1.17 . . 1 . . . . . . . . 2956 1 25 . 1 1 6 6 LEU HG H 1 1.43 . . 1 . . . . . . . . 2956 1 26 . 1 1 6 6 LEU HD11 H 1 .34 . . 1 . . . . . . . . 2956 1 27 . 1 1 6 6 LEU HD12 H 1 .34 . . 1 . . . . . . . . 2956 1 28 . 1 1 6 6 LEU HD13 H 1 .34 . . 1 . . . . . . . . 2956 1 29 . 1 1 6 6 LEU HD21 H 1 .34 . . 1 . . . . . . . . 2956 1 30 . 1 1 6 6 LEU HD22 H 1 .34 . . 1 . . . . . . . . 2956 1 31 . 1 1 6 6 LEU HD23 H 1 .34 . . 1 . . . . . . . . 2956 1 32 . 1 1 7 7 ILE H H 1 7.56 . . 1 . . . . . . . . 2956 1 33 . 1 1 7 7 ILE HA H 1 3.81 . . 1 . . . . . . . . 2956 1 34 . 1 1 7 7 ILE HB H 1 1.9 . . 1 . . . . . . . . 2956 1 35 . 1 1 7 7 ILE HG12 H 1 1.52 . . 1 . . . . . . . . 2956 1 36 . 1 1 7 7 ILE HG13 H 1 1.52 . . 1 . . . . . . . . 2956 1 37 . 1 1 7 7 ILE HG21 H 1 .8 . . 1 . . . . . . . . 2956 1 38 . 1 1 7 7 ILE HG22 H 1 .8 . . 1 . . . . . . . . 2956 1 39 . 1 1 7 7 ILE HG23 H 1 .8 . . 1 . . . . . . . . 2956 1 40 . 1 1 7 7 ILE HD11 H 1 .68 . . 1 . . . . . . . . 2956 1 41 . 1 1 7 7 ILE HD12 H 1 .68 . . 1 . . . . . . . . 2956 1 42 . 1 1 7 7 ILE HD13 H 1 .68 . . 1 . . . . . . . . 2956 1 43 . 1 1 8 8 ASP H H 1 7.6 . . 1 . . . . . . . . 2956 1 44 . 1 1 8 8 ASP HA H 1 4.52 . . 1 . . . . . . . . 2956 1 45 . 1 1 8 8 ASP HB2 H 1 3.2 . . 1 . . . . . . . . 2956 1 46 . 1 1 8 8 ASP HB3 H 1 3.2 . . 1 . . . . . . . . 2956 1 47 . 1 1 9 9 VAL H H 1 7.61 . . 1 . . . . . . . . 2956 1 48 . 1 1 9 9 VAL HA H 1 3.1 . . 1 . . . . . . . . 2956 1 49 . 1 1 9 9 VAL HB H 1 1.68 . . 1 . . . . . . . . 2956 1 50 . 1 1 9 9 VAL HG11 H 1 .77 . . 1 . . . . . . . . 2956 1 51 . 1 1 9 9 VAL HG12 H 1 .77 . . 1 . . . . . . . . 2956 1 52 . 1 1 9 9 VAL HG13 H 1 .77 . . 1 . . . . . . . . 2956 1 53 . 1 1 9 9 VAL HG21 H 1 .77 . . 1 . . . . . . . . 2956 1 54 . 1 1 9 9 VAL HG22 H 1 .77 . . 1 . . . . . . . . 2956 1 55 . 1 1 9 9 VAL HG23 H 1 .77 . . 1 . . . . . . . . 2956 1 56 . 1 1 10 10 ALA H H 1 8.01 . . 1 . . . . . . . . 2956 1 57 . 1 1 10 10 ALA HA H 1 3.73 . . 1 . . . . . . . . 2956 1 58 . 1 1 10 10 ALA HB1 H 1 1.52 . . 1 . . . . . . . . 2956 1 59 . 1 1 10 10 ALA HB2 H 1 1.52 . . 1 . . . . . . . . 2956 1 60 . 1 1 10 10 ALA HB3 H 1 1.52 . . 1 . . . . . . . . 2956 1 61 . 1 1 11 11 GLU H H 1 8.24 . . 1 . . . . . . . . 2956 1 62 . 1 1 11 11 GLU HA H 1 4.05 . . 1 . . . . . . . . 2956 1 63 . 1 1 11 11 GLU HB2 H 1 2.1 . . 2 . . . . . . . . 2956 1 64 . 1 1 11 11 GLU HB3 H 1 2.16 . . 2 . . . . . . . . 2956 1 65 . 1 1 11 11 GLU HG2 H 1 2.3 . . 2 . . . . . . . . 2956 1 66 . 1 1 11 11 GLU HG3 H 1 2.48 . . 2 . . . . . . . . 2956 1 67 . 1 1 12 12 TYR H H 1 8.11 . . 1 . . . . . . . . 2956 1 68 . 1 1 12 12 TYR HA H 1 4.07 . . 1 . . . . . . . . 2956 1 69 . 1 1 12 12 TYR HB2 H 1 2.95 . . 2 . . . . . . . . 2956 1 70 . 1 1 12 12 TYR HB3 H 1 3.2 . . 2 . . . . . . . . 2956 1 71 . 1 1 12 12 TYR HD1 H 1 7.02 . . 1 . . . . . . . . 2956 1 72 . 1 1 12 12 TYR HD2 H 1 7.02 . . 1 . . . . . . . . 2956 1 73 . 1 1 12 12 TYR HE1 H 1 6.8 . . 1 . . . . . . . . 2956 1 74 . 1 1 12 12 TYR HE2 H 1 6.8 . . 1 . . . . . . . . 2956 1 75 . 1 1 13 13 ALA H H 1 8.52 . . 1 . . . . . . . . 2956 1 76 . 1 1 13 13 ALA HA H 1 4.23 . . 1 . . . . . . . . 2956 1 77 . 1 1 13 13 ALA HB1 H 1 1.32 . . 1 . . . . . . . . 2956 1 78 . 1 1 13 13 ALA HB2 H 1 1.32 . . 1 . . . . . . . . 2956 1 79 . 1 1 13 13 ALA HB3 H 1 1.32 . . 1 . . . . . . . . 2956 1 80 . 1 1 14 14 GLY H H 1 8 . . 1 . . . . . . . . 2956 1 81 . 1 1 14 14 GLY HA2 H 1 3.9 . . 1 . . . . . . . . 2956 1 82 . 1 1 14 14 GLY HA3 H 1 3.9 . . 1 . . . . . . . . 2956 1 83 . 1 1 15 15 VAL H H 1 7.84 . . 1 . . . . . . . . 2956 1 84 . 1 1 15 15 VAL HB H 1 2.23 . . 1 . . . . . . . . 2956 1 85 . 1 1 15 15 VAL HG11 H 1 .65 . . 2 . . . . . . . . 2956 1 86 . 1 1 15 15 VAL HG12 H 1 .65 . . 2 . . . . . . . . 2956 1 87 . 1 1 15 15 VAL HG13 H 1 .65 . . 2 . . . . . . . . 2956 1 88 . 1 1 15 15 VAL HG21 H 1 .95 . . 2 . . . . . . . . 2956 1 89 . 1 1 15 15 VAL HG22 H 1 .95 . . 2 . . . . . . . . 2956 1 90 . 1 1 15 15 VAL HG23 H 1 .95 . . 2 . . . . . . . . 2956 1 91 . 1 1 16 16 SER H H 1 8.52 . . 1 . . . . . . . . 2956 1 92 . 1 1 16 16 SER HA H 1 4.43 . . 1 . . . . . . . . 2956 1 93 . 1 1 17 17 TYR H H 1 9.09 . . 1 . . . . . . . . 2956 1 94 . 1 1 17 17 TYR HA H 1 3.79 . . 1 . . . . . . . . 2956 1 95 . 1 1 17 17 TYR HB2 H 1 2.87 . . 2 . . . . . . . . 2956 1 96 . 1 1 17 17 TYR HB3 H 1 3.04 . . 2 . . . . . . . . 2956 1 97 . 1 1 17 17 TYR HD1 H 1 6.82 . . 1 . . . . . . . . 2956 1 98 . 1 1 17 17 TYR HD2 H 1 6.82 . . 1 . . . . . . . . 2956 1 99 . 1 1 17 17 TYR HE1 H 1 6.72 . . 1 . . . . . . . . 2956 1 100 . 1 1 17 17 TYR HE2 H 1 6.72 . . 1 . . . . . . . . 2956 1 101 . 1 1 18 18 GLN H H 1 8.64 . . 1 . . . . . . . . 2956 1 102 . 1 1 18 18 GLN HA H 1 3.83 . . 1 . . . . . . . . 2956 1 103 . 1 1 18 18 GLN HB2 H 1 1.97 . . 1 . . . . . . . . 2956 1 104 . 1 1 18 18 GLN HB3 H 1 1.97 . . 1 . . . . . . . . 2956 1 105 . 1 1 18 18 GLN HG2 H 1 2.42 . . 1 . . . . . . . . 2956 1 106 . 1 1 18 18 GLN HG3 H 1 2.42 . . 1 . . . . . . . . 2956 1 107 . 1 1 19 19 THR H H 1 8.01 . . 1 . . . . . . . . 2956 1 108 . 1 1 19 19 THR HA H 1 3.73 . . 1 . . . . . . . . 2956 1 109 . 1 1 19 19 THR HB H 1 4.15 . . 1 . . . . . . . . 2956 1 110 . 1 1 20 20 VAL H H 1 7.68 . . 1 . . . . . . . . 2956 1 111 . 1 1 20 20 VAL HA H 1 3.36 . . 1 . . . . . . . . 2956 1 112 . 1 1 20 20 VAL HB H 1 1.96 . . 1 . . . . . . . . 2956 1 113 . 1 1 20 20 VAL HG11 H 1 .76 . . 2 . . . . . . . . 2956 1 114 . 1 1 20 20 VAL HG12 H 1 .76 . . 2 . . . . . . . . 2956 1 115 . 1 1 20 20 VAL HG13 H 1 .76 . . 2 . . . . . . . . 2956 1 116 . 1 1 20 20 VAL HG21 H 1 .82 . . 2 . . . . . . . . 2956 1 117 . 1 1 20 20 VAL HG22 H 1 .82 . . 2 . . . . . . . . 2956 1 118 . 1 1 20 20 VAL HG23 H 1 .82 . . 2 . . . . . . . . 2956 1 119 . 1 1 21 21 SER H H 1 8.18 . . 1 . . . . . . . . 2956 1 120 . 1 1 21 21 SER HA H 1 3.79 . . 1 . . . . . . . . 2956 1 121 . 1 1 21 21 SER HB2 H 1 3.73 . . 1 . . . . . . . . 2956 1 122 . 1 1 21 21 SER HB3 H 1 3.73 . . 1 . . . . . . . . 2956 1 123 . 1 1 22 22 ARG H H 1 7.91 . . 1 . . . . . . . . 2956 1 124 . 1 1 22 22 ARG HA H 1 4.08 . . 1 . . . . . . . . 2956 1 125 . 1 1 22 22 ARG HB2 H 1 2.07 . . 2 . . . . . . . . 2956 1 126 . 1 1 22 22 ARG HB3 H 1 2.28 . . 2 . . . . . . . . 2956 1 127 . 1 1 22 22 ARG HG2 H 1 1.82 . . 1 . . . . . . . . 2956 1 128 . 1 1 22 22 ARG HG3 H 1 1.82 . . 1 . . . . . . . . 2956 1 129 . 1 1 22 22 ARG HD2 H 1 2.97 . . 1 . . . . . . . . 2956 1 130 . 1 1 22 22 ARG HD3 H 1 2.97 . . 1 . . . . . . . . 2956 1 131 . 1 1 23 23 VAL H H 1 7.84 . . 1 . . . . . . . . 2956 1 132 . 1 1 23 23 VAL HA H 1 3.55 . . 1 . . . . . . . . 2956 1 133 . 1 1 23 23 VAL HB H 1 2.28 . . 1 . . . . . . . . 2956 1 134 . 1 1 23 23 VAL HG11 H 1 .92 . . 2 . . . . . . . . 2956 1 135 . 1 1 23 23 VAL HG12 H 1 .92 . . 2 . . . . . . . . 2956 1 136 . 1 1 23 23 VAL HG13 H 1 .92 . . 2 . . . . . . . . 2956 1 137 . 1 1 23 23 VAL HG21 H 1 .98 . . 2 . . . . . . . . 2956 1 138 . 1 1 23 23 VAL HG22 H 1 .98 . . 2 . . . . . . . . 2956 1 139 . 1 1 23 23 VAL HG23 H 1 .98 . . 2 . . . . . . . . 2956 1 140 . 1 1 24 24 VAL H H 1 8.16 . . 1 . . . . . . . . 2956 1 141 . 1 1 24 24 VAL HA H 1 3.83 . . 1 . . . . . . . . 2956 1 142 . 1 1 24 24 VAL HB H 1 1.92 . . 1 . . . . . . . . 2956 1 143 . 1 1 24 24 VAL HG11 H 1 .94 . . 2 . . . . . . . . 2956 1 144 . 1 1 24 24 VAL HG12 H 1 .94 . . 2 . . . . . . . . 2956 1 145 . 1 1 24 24 VAL HG13 H 1 .94 . . 2 . . . . . . . . 2956 1 146 . 1 1 24 24 VAL HG21 H 1 .97 . . 2 . . . . . . . . 2956 1 147 . 1 1 24 24 VAL HG22 H 1 .97 . . 2 . . . . . . . . 2956 1 148 . 1 1 24 24 VAL HG23 H 1 .97 . . 2 . . . . . . . . 2956 1 149 . 1 1 25 25 ASN H H 1 8.06 . . 1 . . . . . . . . 2956 1 150 . 1 1 25 25 ASN HA H 1 4.71 . . 1 . . . . . . . . 2956 1 151 . 1 1 25 25 ASN HB2 H 1 2.77 . . 2 . . . . . . . . 2956 1 152 . 1 1 25 25 ASN HB3 H 1 2.83 . . 2 . . . . . . . . 2956 1 153 . 1 1 25 25 ASN HD21 H 1 6.93 . . 2 . . . . . . . . 2956 1 154 . 1 1 25 25 ASN HD22 H 1 7.43 . . 2 . . . . . . . . 2956 1 155 . 1 1 26 26 GLN H H 1 8.18 . . 1 . . . . . . . . 2956 1 156 . 1 1 26 26 GLN HA H 1 4.21 . . 1 . . . . . . . . 2956 1 157 . 1 1 26 26 GLN HB2 H 1 2.08 . . 2 . . . . . . . . 2956 1 158 . 1 1 26 26 GLN HB3 H 1 2.14 . . 2 . . . . . . . . 2956 1 159 . 1 1 26 26 GLN HG2 H 1 2.26 . . 1 . . . . . . . . 2956 1 160 . 1 1 26 26 GLN HG3 H 1 2.26 . . 1 . . . . . . . . 2956 1 161 . 1 1 26 26 GLN HE21 H 1 6.78 . . 2 . . . . . . . . 2956 1 162 . 1 1 26 26 GLN HE22 H 1 7.45 . . 2 . . . . . . . . 2956 1 163 . 1 1 27 27 ALA H H 1 8.31 . . 1 . . . . . . . . 2956 1 164 . 1 1 27 27 ALA HA H 1 4.26 . . 1 . . . . . . . . 2956 1 165 . 1 1 27 27 ALA HB1 H 1 1.55 . . 1 . . . . . . . . 2956 1 166 . 1 1 27 27 ALA HB2 H 1 1.55 . . 1 . . . . . . . . 2956 1 167 . 1 1 27 27 ALA HB3 H 1 1.55 . . 1 . . . . . . . . 2956 1 168 . 1 1 28 28 SER H H 1 8.25 . . 1 . . . . . . . . 2956 1 169 . 1 1 28 28 SER HA H 1 4.26 . . 1 . . . . . . . . 2956 1 170 . 1 1 28 28 SER HB2 H 1 4.2 . . 1 . . . . . . . . 2956 1 171 . 1 1 28 28 SER HB3 H 1 4.2 . . 1 . . . . . . . . 2956 1 172 . 1 1 29 29 HIS H H 1 8.53 . . 1 . . . . . . . . 2956 1 173 . 1 1 29 29 HIS HA H 1 4.43 . . 1 . . . . . . . . 2956 1 174 . 1 1 29 29 HIS HB2 H 1 2.95 . . 1 . . . . . . . . 2956 1 175 . 1 1 29 29 HIS HB3 H 1 2.95 . . 1 . . . . . . . . 2956 1 176 . 1 1 29 29 HIS HD2 H 1 7 . . 1 . . . . . . . . 2956 1 177 . 1 1 29 29 HIS HE1 H 1 8.13 . . 1 . . . . . . . . 2956 1 178 . 1 1 30 30 VAL H H 1 7.54 . . 1 . . . . . . . . 2956 1 179 . 1 1 30 30 VAL HA H 1 4.19 . . 1 . . . . . . . . 2956 1 180 . 1 1 30 30 VAL HG11 H 1 .8 . . 2 . . . . . . . . 2956 1 181 . 1 1 30 30 VAL HG12 H 1 .8 . . 2 . . . . . . . . 2956 1 182 . 1 1 30 30 VAL HG13 H 1 .8 . . 2 . . . . . . . . 2956 1 183 . 1 1 30 30 VAL HG21 H 1 .95 . . 2 . . . . . . . . 2956 1 184 . 1 1 30 30 VAL HG22 H 1 .95 . . 2 . . . . . . . . 2956 1 185 . 1 1 30 30 VAL HG23 H 1 .95 . . 2 . . . . . . . . 2956 1 186 . 1 1 31 31 SER H H 1 8.84 . . 1 . . . . . . . . 2956 1 187 . 1 1 31 31 SER HA H 1 4.16 . . 1 . . . . . . . . 2956 1 188 . 1 1 31 31 SER HB2 H 1 3.98 . . 1 . . . . . . . . 2956 1 189 . 1 1 31 31 SER HB3 H 1 3.98 . . 1 . . . . . . . . 2956 1 190 . 1 1 33 33 LYS H H 1 8.18 . . 1 . . . . . . . . 2956 1 191 . 1 1 33 33 LYS HA H 1 4.32 . . 1 . . . . . . . . 2956 1 192 . 1 1 33 33 LYS HB2 H 1 1.82 . . 1 . . . . . . . . 2956 1 193 . 1 1 33 33 LYS HB3 H 1 1.82 . . 1 . . . . . . . . 2956 1 194 . 1 1 33 33 LYS HG2 H 1 1.57 . . 1 . . . . . . . . 2956 1 195 . 1 1 33 33 LYS HG3 H 1 1.57 . . 1 . . . . . . . . 2956 1 196 . 1 1 33 33 LYS HD2 H 1 1.71 . . 1 . . . . . . . . 2956 1 197 . 1 1 33 33 LYS HD3 H 1 1.71 . . 1 . . . . . . . . 2956 1 198 . 1 1 33 33 LYS HE2 H 1 3.16 . . 1 . . . . . . . . 2956 1 199 . 1 1 33 33 LYS HE3 H 1 3.16 . . 1 . . . . . . . . 2956 1 200 . 1 1 34 34 THR H H 1 7.7 . . 1 . . . . . . . . 2956 1 201 . 1 1 34 34 THR HA H 1 3.8 . . 1 . . . . . . . . 2956 1 202 . 1 1 34 34 THR HG21 H 1 .84 . . 1 . . . . . . . . 2956 1 203 . 1 1 34 34 THR HG22 H 1 .84 . . 1 . . . . . . . . 2956 1 204 . 1 1 34 34 THR HG23 H 1 .84 . . 1 . . . . . . . . 2956 1 205 . 1 1 35 35 ARG H H 1 8.58 . . 1 . . . . . . . . 2956 1 206 . 1 1 35 35 ARG HA H 1 3.64 . . 1 . . . . . . . . 2956 1 207 . 1 1 36 36 GLU H H 1 8.37 . . 1 . . . . . . . . 2956 1 208 . 1 1 36 36 GLU HA H 1 4.08 . . 1 . . . . . . . . 2956 1 209 . 1 1 36 36 GLU HB2 H 1 2.22 . . 1 . . . . . . . . 2956 1 210 . 1 1 36 36 GLU HB3 H 1 2.22 . . 1 . . . . . . . . 2956 1 211 . 1 1 37 37 LYS H H 1 7.67 . . 1 . . . . . . . . 2956 1 212 . 1 1 37 37 LYS HA H 1 4.18 . . 1 . . . . . . . . 2956 1 213 . 1 1 38 38 VAL H H 1 8.09 . . 1 . . . . . . . . 2956 1 214 . 1 1 38 38 VAL HA H 1 3.45 . . 1 . . . . . . . . 2956 1 215 . 1 1 38 38 VAL HB H 1 2.17 . . 1 . . . . . . . . 2956 1 216 . 1 1 38 38 VAL HG11 H 1 .87 . . 2 . . . . . . . . 2956 1 217 . 1 1 38 38 VAL HG12 H 1 .87 . . 2 . . . . . . . . 2956 1 218 . 1 1 38 38 VAL HG13 H 1 .87 . . 2 . . . . . . . . 2956 1 219 . 1 1 38 38 VAL HG21 H 1 .9 . . 2 . . . . . . . . 2956 1 220 . 1 1 38 38 VAL HG22 H 1 .9 . . 2 . . . . . . . . 2956 1 221 . 1 1 38 38 VAL HG23 H 1 .9 . . 2 . . . . . . . . 2956 1 222 . 1 1 39 39 GLU H H 1 9 . . 1 . . . . . . . . 2956 1 223 . 1 1 39 39 GLU HA H 1 4.02 . . 1 . . . . . . . . 2956 1 224 . 1 1 39 39 GLU HB2 H 1 2.08 . . 1 . . . . . . . . 2956 1 225 . 1 1 39 39 GLU HB3 H 1 2.08 . . 1 . . . . . . . . 2956 1 226 . 1 1 39 39 GLU HG2 H 1 2.42 . . 1 . . . . . . . . 2956 1 227 . 1 1 39 39 GLU HG3 H 1 2.42 . . 1 . . . . . . . . 2956 1 228 . 1 1 40 40 ALA H H 1 8.3 . . 1 . . . . . . . . 2956 1 229 . 1 1 40 40 ALA HA H 1 4.26 . . 1 . . . . . . . . 2956 1 230 . 1 1 40 40 ALA HB1 H 1 1.55 . . 1 . . . . . . . . 2956 1 231 . 1 1 40 40 ALA HB2 H 1 1.55 . . 1 . . . . . . . . 2956 1 232 . 1 1 40 40 ALA HB3 H 1 1.55 . . 1 . . . . . . . . 2956 1 233 . 1 1 41 41 ALA H H 1 7.56 . . 1 . . . . . . . . 2956 1 234 . 1 1 41 41 ALA HA H 1 4.11 . . 1 . . . . . . . . 2956 1 235 . 1 1 41 41 ALA HB1 H 1 1.67 . . 1 . . . . . . . . 2956 1 236 . 1 1 41 41 ALA HB2 H 1 1.67 . . 1 . . . . . . . . 2956 1 237 . 1 1 41 41 ALA HB3 H 1 1.67 . . 1 . . . . . . . . 2956 1 238 . 1 1 42 42 MET H H 1 8.44 . . 1 . . . . . . . . 2956 1 239 . 1 1 42 42 MET HA H 1 3.68 . . 1 . . . . . . . . 2956 1 240 . 1 1 42 42 MET HB2 H 1 2.03 . . 1 . . . . . . . . 2956 1 241 . 1 1 42 42 MET HB3 H 1 2.03 . . 1 . . . . . . . . 2956 1 242 . 1 1 42 42 MET HG2 H 1 2.42 . . 1 . . . . . . . . 2956 1 243 . 1 1 42 42 MET HG3 H 1 2.42 . . 1 . . . . . . . . 2956 1 244 . 1 1 42 42 MET HE1 H 1 2.23 . . 1 . . . . . . . . 2956 1 245 . 1 1 42 42 MET HE2 H 1 2.23 . . 1 . . . . . . . . 2956 1 246 . 1 1 42 42 MET HE3 H 1 2.23 . . 1 . . . . . . . . 2956 1 247 . 1 1 43 43 ALA H H 1 7.76 . . 1 . . . . . . . . 2956 1 248 . 1 1 43 43 ALA HA H 1 4.24 . . 1 . . . . . . . . 2956 1 249 . 1 1 43 43 ALA HB1 H 1 1.55 . . 1 . . . . . . . . 2956 1 250 . 1 1 43 43 ALA HB2 H 1 1.55 . . 1 . . . . . . . . 2956 1 251 . 1 1 43 43 ALA HB3 H 1 1.55 . . 1 . . . . . . . . 2956 1 252 . 1 1 44 44 GLU H H 1 8.28 . . 1 . . . . . . . . 2956 1 253 . 1 1 44 44 GLU HA H 1 3.97 . . 1 . . . . . . . . 2956 1 254 . 1 1 44 44 GLU HB2 H 1 1.94 . . 2 . . . . . . . . 2956 1 255 . 1 1 44 44 GLU HB3 H 1 2.08 . . 2 . . . . . . . . 2956 1 256 . 1 1 45 45 LEU H H 1 7.66 . . 1 . . . . . . . . 2956 1 257 . 1 1 45 45 LEU HA H 1 4.18 . . 1 . . . . . . . . 2956 1 258 . 1 1 45 45 LEU HB2 H 1 1.36 . . 1 . . . . . . . . 2956 1 259 . 1 1 45 45 LEU HB3 H 1 1.36 . . 1 . . . . . . . . 2956 1 260 . 1 1 45 45 LEU HD11 H 1 .48 . . 1 . . . . . . . . 2956 1 261 . 1 1 45 45 LEU HD12 H 1 .48 . . 1 . . . . . . . . 2956 1 262 . 1 1 45 45 LEU HD13 H 1 .48 . . 1 . . . . . . . . 2956 1 263 . 1 1 45 45 LEU HD21 H 1 .48 . . 1 . . . . . . . . 2956 1 264 . 1 1 45 45 LEU HD22 H 1 .48 . . 1 . . . . . . . . 2956 1 265 . 1 1 45 45 LEU HD23 H 1 .48 . . 1 . . . . . . . . 2956 1 266 . 1 1 46 46 ASN H H 1 7.73 . . 1 . . . . . . . . 2956 1 267 . 1 1 46 46 ASN HA H 1 4.24 . . 1 . . . . . . . . 2956 1 268 . 1 1 46 46 ASN HB2 H 1 2.68 . . 2 . . . . . . . . 2956 1 269 . 1 1 46 46 ASN HB3 H 1 3.1 . . 2 . . . . . . . . 2956 1 270 . 1 1 46 46 ASN HD21 H 1 6.73 . . 2 . . . . . . . . 2956 1 271 . 1 1 46 46 ASN HD22 H 1 7.38 . . 2 . . . . . . . . 2956 1 272 . 1 1 47 47 TYR H H 1 8.4 . . 1 . . . . . . . . 2956 1 273 . 1 1 47 47 TYR HA H 1 4.03 . . 1 . . . . . . . . 2956 1 274 . 1 1 47 47 TYR HB2 H 1 2.47 . . 2 . . . . . . . . 2956 1 275 . 1 1 47 47 TYR HB3 H 1 2.56 . . 2 . . . . . . . . 2956 1 276 . 1 1 47 47 TYR HD1 H 1 6.75 . . 1 . . . . . . . . 2956 1 277 . 1 1 47 47 TYR HD2 H 1 6.75 . . 1 . . . . . . . . 2956 1 278 . 1 1 47 47 TYR HE1 H 1 6.6 . . 1 . . . . . . . . 2956 1 279 . 1 1 47 47 TYR HE2 H 1 6.6 . . 1 . . . . . . . . 2956 1 280 . 1 1 49 49 PRO HA H 1 4.26 . . 1 . . . . . . . . 2956 1 281 . 1 1 49 49 PRO HB2 H 1 1.95 . . 2 . . . . . . . . 2956 1 282 . 1 1 49 49 PRO HB3 H 1 2.35 . . 2 . . . . . . . . 2956 1 283 . 1 1 50 50 ASN H H 1 8.36 . . 1 . . . . . . . . 2956 1 284 . 1 1 50 50 ASN HA H 1 4.6 . . 1 . . . . . . . . 2956 1 285 . 1 1 50 50 ASN HB2 H 1 2.73 . . 2 . . . . . . . . 2956 1 286 . 1 1 50 50 ASN HB3 H 1 2.78 . . 2 . . . . . . . . 2956 1 287 . 1 1 51 51 ARG H H 1 7.91 . . 1 . . . . . . . . 2956 1 288 . 1 1 51 51 ARG HA H 1 4.14 . . 1 . . . . . . . . 2956 1 289 . 1 1 51 51 ARG HB2 H 1 2.07 . . 2 . . . . . . . . 2956 1 290 . 1 1 51 51 ARG HB3 H 1 2.28 . . 2 . . . . . . . . 2956 1 291 . 1 1 51 51 ARG HG2 H 1 1.9 . . 1 . . . . . . . . 2956 1 292 . 1 1 51 51 ARG HG3 H 1 1.9 . . 1 . . . . . . . . 2956 1 293 . 1 1 51 51 ARG HD2 H 1 3.3 . . 1 . . . . . . . . 2956 1 294 . 1 1 51 51 ARG HD3 H 1 3.3 . . 1 . . . . . . . . 2956 1 295 . 1 1 52 52 VAL H H 1 7.88 . . 1 . . . . . . . . 2956 1 296 . 1 1 52 52 VAL HA H 1 4.01 . . 1 . . . . . . . . 2956 1 297 . 1 1 52 52 VAL HB H 1 2.25 . . 1 . . . . . . . . 2956 1 298 . 1 1 52 52 VAL HG11 H 1 1.43 . . 1 . . . . . . . . 2956 1 299 . 1 1 52 52 VAL HG12 H 1 1.43 . . 1 . . . . . . . . 2956 1 300 . 1 1 52 52 VAL HG13 H 1 1.43 . . 1 . . . . . . . . 2956 1 301 . 1 1 52 52 VAL HG21 H 1 1.43 . . 1 . . . . . . . . 2956 1 302 . 1 1 52 52 VAL HG22 H 1 1.43 . . 1 . . . . . . . . 2956 1 303 . 1 1 52 52 VAL HG23 H 1 1.43 . . 1 . . . . . . . . 2956 1 304 . 1 1 53 53 ALA H H 1 7.56 . . 1 . . . . . . . . 2956 1 305 . 1 1 53 53 ALA HA H 1 4.13 . . 1 . . . . . . . . 2956 1 306 . 1 1 53 53 ALA HB1 H 1 1.03 . . 1 . . . . . . . . 2956 1 307 . 1 1 53 53 ALA HB2 H 1 1.03 . . 1 . . . . . . . . 2956 1 308 . 1 1 53 53 ALA HB3 H 1 1.03 . . 1 . . . . . . . . 2956 1 309 . 1 1 54 54 GLN H H 1 7.65 . . 1 . . . . . . . . 2956 1 310 . 1 1 54 54 GLN HA H 1 4.11 . . 1 . . . . . . . . 2956 1 311 . 1 1 54 54 GLN HB2 H 1 1.95 . . 1 . . . . . . . . 2956 1 312 . 1 1 54 54 GLN HB3 H 1 1.95 . . 1 . . . . . . . . 2956 1 313 . 1 1 55 55 GLN H H 1 8.12 . . 1 . . . . . . . . 2956 1 314 . 1 1 55 55 GLN HA H 1 4.35 . . 1 . . . . . . . . 2956 1 315 . 1 1 55 55 GLN HB2 H 1 2.6 . . 1 . . . . . . . . 2956 1 316 . 1 1 55 55 GLN HB3 H 1 2.6 . . 1 . . . . . . . . 2956 1 317 . 1 1 55 55 GLN HG2 H 1 3.28 . . 1 . . . . . . . . 2956 1 318 . 1 1 55 55 GLN HG3 H 1 3.28 . . 1 . . . . . . . . 2956 1 319 . 1 1 55 55 GLN HE21 H 1 6.79 . . 2 . . . . . . . . 2956 1 320 . 1 1 55 55 GLN HE22 H 1 7.37 . . 2 . . . . . . . . 2956 1 stop_ save_