################################### # 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_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 6898 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 TOCSY' . . . 6898 1 2 '2D NOESY' . . . 6898 1 3 DQF-COSY . . . 6898 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 GLY H H 1 8.803 . . . . . . . . . . . 6898 1 2 . 1 1 1 1 GLY HA2 H 1 3.55 . . . . . . . . . . . 6898 1 3 . 1 1 1 1 GLY HA3 H 1 3.65 . . . . . . . . . . . 6898 1 4 . 1 1 2 2 ALA H H 1 8.568 . . . . . . . . . . . 6898 1 5 . 1 1 2 2 ALA HA H 1 4.215 . . . . . . . . . . . 6898 1 6 . 1 1 2 2 ALA HB1 H 1 1.216 . . . . . . . . . . . 6898 1 7 . 1 1 2 2 ALA HB2 H 1 1.216 . . . . . . . . . . . 6898 1 8 . 1 1 2 2 ALA HB3 H 1 1.216 . . . . . . . . . . . 6898 1 9 . 1 1 3 3 TYR H H 1 8.46 . . . . . . . . . . . 6898 1 10 . 1 1 3 3 TYR HA H 1 4.566 . . . . . . . . . . . 6898 1 11 . 1 1 3 3 TYR HB2 H 1 3.02 . . . . . . . . . . . 6898 1 12 . 1 1 3 3 TYR HB3 H 1 2.95 . . . . . . . . . . . 6898 1 13 . 1 1 3 3 TYR HD1 H 1 7.07 . . . . . . . . . . . 6898 1 14 . 1 1 3 3 TYR HD2 H 1 7.07 . . . . . . . . . . . 6898 1 15 . 1 1 3 3 TYR HE1 H 1 6.72 . . . . . . . . . . . 6898 1 16 . 1 1 3 3 TYR HE2 H 1 6.72 . . . . . . . . . . . 6898 1 17 . 1 1 4 4 THR H H 1 8.08 . . . . . . . . . . . 6898 1 18 . 1 1 4 4 THR HA H 1 4.19 . . . . . . . . . . . 6898 1 19 . 1 1 4 4 THR HB H 1 4.12 . . . . . . . . . . . 6898 1 20 . 1 1 4 4 THR HG21 H 1 1.075 . . . . . . . . . . . 6898 1 21 . 1 1 4 4 THR HG22 H 1 1.075 . . . . . . . . . . . 6898 1 22 . 1 1 4 4 THR HG23 H 1 1.075 . . . . . . . . . . . 6898 1 23 . 1 1 5 5 GLY H H 1 7.4 . . . . . . . . . . . 6898 1 24 . 1 1 5 5 GLY HA2 H 1 3.77 . . . . . . . . . . . 6898 1 25 . 1 1 6 6 LEU H H 1 8.093 . . . . . . . . . . . 6898 1 26 . 1 1 6 6 LEU HA H 1 4.52 . . . . . . . . . . . 6898 1 27 . 1 1 6 6 LEU HB2 H 1 1.50 . . . . . . . . . . . 6898 1 28 . 1 1 6 6 LEU HB3 H 1 1.50 . . . . . . . . . . . 6898 1 29 . 1 1 6 6 LEU HG H 1 1.47 . . . . . . . . . . . 6898 1 30 . 1 1 6 6 LEU HD11 H 1 0.86 . . . . . . . . . . . 6898 1 31 . 1 1 6 6 LEU HD12 H 1 0.86 . . . . . . . . . . . 6898 1 32 . 1 1 6 6 LEU HD13 H 1 0.86 . . . . . . . . . . . 6898 1 33 . 1 1 6 6 LEU HD21 H 1 0.835 . . . . . . . . . . . 6898 1 34 . 1 1 6 6 LEU HD22 H 1 0.835 . . . . . . . . . . . 6898 1 35 . 1 1 6 6 LEU HD23 H 1 0.835 . . . . . . . . . . . 6898 1 36 . 1 1 7 7 PRO HA H 1 4.31 . . . . . . . . . . . 6898 1 37 . 1 1 7 7 PRO HB2 H 1 2.22 . . . . . . . . . . . 6898 1 38 . 1 1 7 7 PRO HG2 H 1 1.94 . . . . . . . . . . . 6898 1 39 . 1 1 7 7 PRO HG3 H 1 1.81 . . . . . . . . . . . 6898 1 40 . 1 1 7 7 PRO HD2 H 1 3.76 . . . . . . . . . . . 6898 1 41 . 1 1 7 7 PRO HD3 H 1 3.59 . . . . . . . . . . . 6898 1 42 . 1 1 8 8 ASN H H 1 8.456 . . . . . . . . . . . 6898 1 43 . 1 1 8 8 ASN HA H 1 4.54 . . . . . . . . . . . 6898 1 44 . 1 1 8 8 ASN HB2 H 1 2.67 . . . . . . . . . . . 6898 1 45 . 1 1 8 8 ASN HD21 H 1 7.60 . . . . . . . . . . . 6898 1 46 . 1 1 8 8 ASN HD22 H 1 6.91 . . . . . . . . . . . 6898 1 47 . 1 1 9 9 LYS H H 1 8.18 . . . . . . . . . . . 6898 1 48 . 1 1 9 9 LYS HA H 1 4.215 . . . . . . . . . . . 6898 1 49 . 1 1 9 9 LYS HB2 H 1 1.74 . . . . . . . . . . . 6898 1 50 . 1 1 9 9 LYS HB3 H 1 1.64 . . . . . . . . . . . 6898 1 51 . 1 1 9 9 LYS HG2 H 1 1.31 . . . . . . . . . . . 6898 1 52 . 1 1 9 9 LYS HD2 H 1 1.63 . . . . . . . . . . . 6898 1 53 . 1 1 9 9 LYS HE2 H 1 3.14 . . . . . . . . . . . 6898 1 54 . 1 1 10 10 LYS H H 1 8.35 . . . . . . . . . . . 6898 1 55 . 1 1 10 10 LYS HA H 1 4.45 . . . . . . . . . . . 6898 1 56 . 1 1 10 10 LYS HB2 H 1 1.71 . . . . . . . . . . . 6898 1 57 . 1 1 10 10 LYS HG2 H 1 1.38 . . . . . . . . . . . 6898 1 58 . 1 1 10 10 LYS HD2 H 1 1.61 . . . . . . . . . . . 6898 1 59 . 1 1 10 10 LYS HE2 H 1 3.13 . . . . . . . . . . . 6898 1 60 . 1 1 11 11 PRO HA H 1 4.309 . . . . . . . . . . . 6898 1 61 . 1 1 11 11 PRO HB2 H 1 2.20 . . . . . . . . . . . 6898 1 62 . 1 1 11 11 PRO HB3 H 1 1.92 . . . . . . . . . . . 6898 1 63 . 1 1 11 11 PRO HG2 H 1 1.8 . . . . . . . . . . . 6898 1 64 . 1 1 11 11 PRO HD2 H 1 3.72 . . . . . . . . . . . 6898 1 65 . 1 1 12 12 ASN H H 1 8.56 . . . . . . . . . . . 6898 1 66 . 1 1 12 12 ASN HA H 1 4.57 . . . . . . . . . . . 6898 1 67 . 1 1 12 12 ASN HB2 H 1 2.68 . . . . . . . . . . . 6898 1 68 . 1 1 12 12 ASN HB3 H 1 2.64 . . . . . . . . . . . 6898 1 69 . 1 1 12 12 ASN HD21 H 1 7.62 . . . . . . . . . . . 6898 1 70 . 1 1 12 12 ASN HD22 H 1 6.93 . . . . . . . . . . . 6898 1 71 . 1 1 13 13 VAL H H 1 8.057 . . . . . . . . . . . 6898 1 72 . 1 1 13 13 VAL HA H 1 4.379 . . . . . . . . . . . 6898 1 73 . 1 1 13 13 VAL HB H 1 1.99 . . . . . . . . . . . 6898 1 74 . 1 1 13 13 VAL HG11 H 1 0.887 . . . . . . . . . . . 6898 1 75 . 1 1 13 13 VAL HG12 H 1 0.887 . . . . . . . . . . . 6898 1 76 . 1 1 13 13 VAL HG13 H 1 0.887 . . . . . . . . . . . 6898 1 77 . 1 1 13 13 VAL HG21 H 1 0.84 . . . . . . . . . . . 6898 1 78 . 1 1 13 13 VAL HG22 H 1 0.84 . . . . . . . . . . . 6898 1 79 . 1 1 13 13 VAL HG23 H 1 0.84 . . . . . . . . . . . 6898 1 80 . 1 1 14 14 PRO HA H 1 4.379 . . . . . . . . . . . 6898 1 81 . 1 1 14 14 PRO HB2 H 1 2.22 . . . . . . . . . . . 6898 1 82 . 1 1 14 14 PRO HB3 H 1 1.92 . . . . . . . . . . . 6898 1 83 . 1 1 14 14 PRO HG2 H 1 1.80 . . . . . . . . . . . 6898 1 84 . 1 1 14 14 PRO HD2 H 1 3.61 . . . . . . . . . . . 6898 1 85 . 1 1 14 14 PRO HD3 H 1 3.77 . . . . . . . . . . . 6898 1 86 . 1 1 15 15 THR H H 1 8.28 . . . . . . . . . . . 6898 1 87 . 1 1 15 15 THR HA H 1 4.18 . . . . . . . . . . . 6898 1 88 . 1 1 15 15 THR HB H 1 4.045 . . . . . . . . . . . 6898 1 89 . 1 1 15 15 THR HG21 H 1 1.122 . . . . . . . . . . . 6898 1 90 . 1 1 15 15 THR HG22 H 1 1.122 . . . . . . . . . . . 6898 1 91 . 1 1 15 15 THR HG23 H 1 1.122 . . . . . . . . . . . 6898 1 92 . 1 1 16 16 ILE H H 1 8.20 . . . . . . . . . . . 6898 1 93 . 1 1 16 16 ILE HA H 1 4.10 . . . . . . . . . . . 6898 1 94 . 1 1 16 16 ILE HB H 1 1.77 . . . . . . . . . . . 6898 1 95 . 1 1 16 16 ILE HG12 H 1 1.39 . . . . . . . . . . . 6898 1 96 . 1 1 16 16 ILE HG21 H 1 0.817 . . . . . . . . . . . 6898 1 97 . 1 1 16 16 ILE HG22 H 1 0.817 . . . . . . . . . . . 6898 1 98 . 1 1 16 16 ILE HG23 H 1 0.817 . . . . . . . . . . . 6898 1 99 . 1 1 16 16 ILE HD11 H 1 0.806 . . . . . . . . . . . 6898 1 100 . 1 1 16 16 ILE HD12 H 1 0.806 . . . . . . . . . . . 6898 1 101 . 1 1 16 16 ILE HD13 H 1 0.806 . . . . . . . . . . . 6898 1 102 . 1 1 17 17 ARG H H 1 8.50 . . . . . . . . . . . 6898 1 103 . 1 1 17 17 ARG HA H 1 4.33 . . . . . . . . . . . 6898 1 104 . 1 1 17 17 ARG HB2 H 1 1.78 . . . . . . . . . . . 6898 1 105 . 1 1 17 17 ARG HB3 H 1 1.68 . . . . . . . . . . . 6898 1 106 . 1 1 17 17 ARG HG2 H 1 1.57 . . . . . . . . . . . 6898 1 107 . 1 1 17 17 ARG HG3 H 1 1.52 . . . . . . . . . . . 6898 1 108 . 1 1 17 17 ARG HD2 H 1 3.11 . . . . . . . . . . . 6898 1 109 . 1 1 17 17 ARG HE H 1 7.16 . . . . . . . . . . . 6898 1 110 . 1 1 17 17 ARG HH11 H 1 6.700 . . . . . . . . . . . 6898 1 111 . 1 1 18 18 THR H H 1 8.134 . . . . . . . . . . . 6898 1 112 . 1 1 18 18 THR HA H 1 4.215 . . . . . . . . . . . 6898 1 113 . 1 1 18 18 THR HB H 1 4.10 . . . . . . . . . . . 6898 1 114 . 1 1 18 18 THR HG21 H 1 1.12 . . . . . . . . . . . 6898 1 115 . 1 1 18 18 THR HG22 H 1 1.12 . . . . . . . . . . . 6898 1 116 . 1 1 18 18 THR HG23 H 1 1.12 . . . . . . . . . . . 6898 1 117 . 1 1 19 19 ALA H H 1 8.30 . . . . . . . . . . . 6898 1 118 . 1 1 19 19 ALA HA H 1 4.238 . . . . . . . . . . . 6898 1 119 . 1 1 19 19 ALA HB1 H 1 1.286 . . . . . . . . . . . 6898 1 120 . 1 1 19 19 ALA HB2 H 1 1.286 . . . . . . . . . . . 6898 1 121 . 1 1 19 19 ALA HB3 H 1 1.286 . . . . . . . . . . . 6898 1 122 . 1 1 20 20 LYS H H 1 8.298 . . . . . . . . . . . 6898 1 123 . 1 1 20 20 LYS HA H 1 4.215 . . . . . . . . . . . 6898 1 124 . 1 1 20 20 LYS HB2 H 1 1.71 . . . . . . . . . . . 6898 1 125 . 1 1 20 20 LYS HB3 H 1 1.66 . . . . . . . . . . . 6898 1 126 . 1 1 20 20 LYS HG2 H 1 1.36 . . . . . . . . . . . 6898 1 127 . 1 1 20 20 LYS HD2 H 1 1.59 . . . . . . . . . . . 6898 1 128 . 1 1 20 20 LYS HE2 H 1 3.15 . . . . . . . . . . . 6898 1 129 . 1 1 21 21 VAL H H 1 8.25 . . . . . . . . . . . 6898 1 130 . 1 1 21 21 VAL HA H 1 4.00 . . . . . . . . . . . 6898 1 131 . 1 1 21 21 VAL HB H 1 1.99 . . . . . . . . . . . 6898 1 132 . 1 1 21 21 VAL HG11 H 1 0.864 . . . . . . . . . . . 6898 1 133 . 1 1 21 21 VAL HG12 H 1 0.864 . . . . . . . . . . . 6898 1 134 . 1 1 21 21 VAL HG13 H 1 0.864 . . . . . . . . . . . 6898 1 135 . 1 1 22 22 GLN H H 1 7.99 . . . . . . . . . . . 6898 1 136 . 1 1 22 22 GLN HA H 1 4.07 . . . . . . . . . . . 6898 1 137 . 1 1 22 22 GLN HB2 H 1 1.99 . . . . . . . . . . . 6898 1 138 . 1 1 22 22 GLN HB3 H 1 1.85 . . . . . . . . . . . 6898 1 139 . 1 1 22 22 GLN HG2 H 1 2.20 . . . . . . . . . . . 6898 1 140 . 1 1 22 22 GLN HE21 H 1 6.84 . . . . . . . . . . . 6898 1 141 . 1 1 22 22 GLN HE22 H 1 7.05 . . . . . . . . . . . 6898 1 stop_ save_ ################################### # 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_set_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_2 _Assigned_chem_shift_list.Entry_ID 6898 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 . . 2 $sample_2 . 6898 2 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 ALA H H 1 8.386 . . . . . . . . . . . 6898 2 2 . 1 1 2 2 ALA HA H 1 4.27 . . . . . . . . . . . 6898 2 3 . 1 1 2 2 ALA HB1 H 1 1.33 . . . . . . . . . . . 6898 2 4 . 1 1 2 2 ALA HB2 H 1 1.33 . . . . . . . . . . . 6898 2 5 . 1 1 2 2 ALA HB3 H 1 1.33 . . . . . . . . . . . 6898 2 6 . 1 1 3 3 TYR H H 1 8.57 . . . . . . . . . . . 6898 2 7 . 1 1 3 3 TYR HA H 1 4.61 . . . . . . . . . . . 6898 2 8 . 1 1 3 3 TYR HB2 H 1 3.0 . . . . . . . . . . . 6898 2 9 . 1 1 3 3 TYR HB3 H 1 2.96 . . . . . . . . . . . 6898 2 10 . 1 1 3 3 TYR HD1 H 1 7.1 . . . . . . . . . . . 6898 2 11 . 1 1 3 3 TYR HD2 H 1 7.1 . . . . . . . . . . . 6898 2 12 . 1 1 3 3 TYR HE1 H 1 6.75 . . . . . . . . . . . 6898 2 13 . 1 1 3 3 TYR HE2 H 1 6.75 . . . . . . . . . . . 6898 2 14 . 1 1 4 4 THR H H 1 8.19 . . . . . . . . . . . 6898 2 15 . 1 1 4 4 THR HA H 1 4.23 . . . . . . . . . . . 6898 2 16 . 1 1 4 4 THR HB H 1 4.16 . . . . . . . . . . . 6898 2 17 . 1 1 4 4 THR HG21 H 1 1.10 . . . . . . . . . . . 6898 2 18 . 1 1 4 4 THR HG22 H 1 1.10 . . . . . . . . . . . 6898 2 19 . 1 1 4 4 THR HG23 H 1 1.10 . . . . . . . . . . . 6898 2 20 . 1 1 5 5 GLY H H 1 7.27 . . . . . . . . . . . 6898 2 21 . 1 1 5 5 GLY HA2 H 1 3.8 . . . . . . . . . . . 6898 2 22 . 1 1 6 6 LEU H H 1 8.20 . . . . . . . . . . . 6898 2 23 . 1 1 6 6 LEU HA H 1 4.57 . . . . . . . . . . . 6898 2 24 . 1 1 6 6 LEU HB2 H 1 1.57 . . . . . . . . . . . 6898 2 25 . 1 1 6 6 LEU HB3 H 1 1.55 . . . . . . . . . . . 6898 2 26 . 1 1 6 6 LEU HG H 1 1.52 . . . . . . . . . . . 6898 2 27 . 1 1 6 6 LEU HD11 H 1 0.9 . . . . . . . . . . . 6898 2 28 . 1 1 6 6 LEU HD12 H 1 0.9 . . . . . . . . . . . 6898 2 29 . 1 1 6 6 LEU HD13 H 1 0.9 . . . . . . . . . . . 6898 2 30 . 1 1 6 6 LEU HD21 H 1 0.88 . . . . . . . . . . . 6898 2 31 . 1 1 6 6 LEU HD22 H 1 0.88 . . . . . . . . . . . 6898 2 32 . 1 1 6 6 LEU HD23 H 1 0.88 . . . . . . . . . . . 6898 2 33 . 1 1 7 7 PRO HA H 1 4.362 . . . . . . . . . . . 6898 2 34 . 1 1 7 7 PRO HB2 H 1 2.32 . . . . . . . . . . . 6898 2 35 . 1 1 7 7 PRO HG2 H 1 1.97 . . . . . . . . . . . 6898 2 36 . 1 1 7 7 PRO HG3 H 1 1.84 . . . . . . . . . . . 6898 2 37 . 1 1 7 7 PRO HD2 H 1 3.81 . . . . . . . . . . . 6898 2 38 . 1 1 7 7 PRO HD3 H 1 3.61 . . . . . . . . . . . 6898 2 39 . 1 1 8 8 ASN H H 1 8.55 . . . . . . . . . . . 6898 2 40 . 1 1 8 8 ASN HA H 1 4.59 . . . . . . . . . . . 6898 2 41 . 1 1 8 8 ASN HB2 H 1 2.72 . . . . . . . . . . . 6898 2 42 . 1 1 8 8 ASN HD21 H 1 7.64 . . . . . . . . . . . 6898 2 43 . 1 1 8 8 ASN HD22 H 1 6.94 . . . . . . . . . . . 6898 2 44 . 1 1 9 9 LYS H H 1 8.29 . . . . . . . . . . . 6898 2 45 . 1 1 9 9 LYS HA H 1 4.26 . . . . . . . . . . . 6898 2 46 . 1 1 9 9 LYS HB2 H 1 1.77 . . . . . . . . . . . 6898 2 47 . 1 1 9 9 LYS HB3 H 1 1.67 . . . . . . . . . . . 6898 2 48 . 1 1 9 9 LYS HG2 H 1 1.35 . . . . . . . . . . . 6898 2 49 . 1 1 9 9 LYS HD2 H 1 1.63 . . . . . . . . . . . 6898 2 50 . 1 1 9 9 LYS HE2 H 1 2.93 . . . . . . . . . . . 6898 2 51 . 1 1 10 10 LYS H H 1 8.43 . . . . . . . . . . . 6898 2 52 . 1 1 10 10 LYS HA H 1 4.50 . . . . . . . . . . . 6898 2 53 . 1 1 10 10 LYS HB2 H 1 1.77 . . . . . . . . . . . 6898 2 54 . 1 1 10 10 LYS HG2 H 1 1.40 . . . . . . . . . . . 6898 2 55 . 1 1 10 10 LYS HD2 H 1 1.65 . . . . . . . . . . . 6898 2 56 . 1 1 10 10 LYS HE2 H 1 2.95 . . . . . . . . . . . 6898 2 57 . 1 1 11 11 PRO HA H 1 4.35 . . . . . . . . . . . 6898 2 58 . 1 1 11 11 PRO HB2 H 1 2.23 . . . . . . . . . . . 6898 2 59 . 1 1 11 11 PRO HB3 H 1 1.96 . . . . . . . . . . . 6898 2 60 . 1 1 11 11 PRO HG2 H 1 1.83 . . . . . . . . . . . 6898 2 61 . 1 1 11 11 PRO HD2 H 1 3.77 . . . . . . . . . . . 6898 2 62 . 1 1 11 11 PRO HD3 H 1 3.59 . . . . . . . . . . . 6898 2 63 . 1 1 12 12 ASN H H 1 8.65 . . . . . . . . . . . 6898 2 64 . 1 1 12 12 ASN HA H 1 4.6 . . . . . . . . . . . 6898 2 65 . 1 1 12 12 ASN HB2 H 1 2.71 . . . . . . . . . . . 6898 2 66 . 1 1 12 12 ASN HB3 H 1 2.67 . . . . . . . . . . . 6898 2 67 . 1 1 12 12 ASN HD21 H 1 7.66 . . . . . . . . . . . 6898 2 68 . 1 1 12 12 ASN HD22 H 1 6.96 . . . . . . . . . . . 6898 2 69 . 1 1 13 13 VAL H H 1 8.19 . . . . . . . . . . . 6898 2 70 . 1 1 13 13 VAL HA H 1 4.41 . . . . . . . . . . . 6898 2 71 . 1 1 13 13 VAL HB H 1 2.03 . . . . . . . . . . . 6898 2 72 . 1 1 13 13 VAL HG11 H 1 0.92 . . . . . . . . . . . 6898 2 73 . 1 1 13 13 VAL HG12 H 1 0.92 . . . . . . . . . . . 6898 2 74 . 1 1 13 13 VAL HG13 H 1 0.92 . . . . . . . . . . . 6898 2 75 . 1 1 13 13 VAL HG21 H 1 0.87 . . . . . . . . . . . 6898 2 76 . 1 1 13 13 VAL HG22 H 1 0.87 . . . . . . . . . . . 6898 2 77 . 1 1 13 13 VAL HG23 H 1 0.87 . . . . . . . . . . . 6898 2 78 . 1 1 14 14 PRO HA H 1 4.42 . . . . . . . . . . . 6898 2 79 . 1 1 14 14 PRO HB2 H 1 2.25 . . . . . . . . . . . 6898 2 80 . 1 1 14 14 PRO HB3 H 1 1.98 . . . . . . . . . . . 6898 2 81 . 1 1 14 14 PRO HG2 H 1 1.83 . . . . . . . . . . . 6898 2 82 . 1 1 14 14 PRO HG3 H 1 1.94 . . . . . . . . . . . 6898 2 83 . 1 1 14 14 PRO HD2 H 1 3.81 . . . . . . . . . . . 6898 2 84 . 1 1 14 14 PRO HD3 H 1 3.66 . . . . . . . . . . . 6898 2 85 . 1 1 15 15 THR H H 1 8.395 . . . . . . . . . . . 6898 2 86 . 1 1 15 15 THR HA H 1 4.21 . . . . . . . . . . . 6898 2 87 . 1 1 15 15 THR HB H 1 4.07 . . . . . . . . . . . 6898 2 88 . 1 1 15 15 THR HG21 H 1 1.17 . . . . . . . . . . . 6898 2 89 . 1 1 15 15 THR HG22 H 1 1.17 . . . . . . . . . . . 6898 2 90 . 1 1 15 15 THR HG23 H 1 1.17 . . . . . . . . . . . 6898 2 91 . 1 1 16 16 ILE H H 1 8.31 . . . . . . . . . . . 6898 2 92 . 1 1 16 16 ILE HA H 1 4.13 . . . . . . . . . . . 6898 2 93 . 1 1 16 16 ILE HB H 1 1.79 . . . . . . . . . . . 6898 2 94 . 1 1 16 16 ILE HG12 H 1 1.42 . . . . . . . . . . . 6898 2 95 . 1 1 16 16 ILE HG13 H 1 1.12 . . . . . . . . . . . 6898 2 96 . 1 1 16 16 ILE HG21 H 1 0.84 . . . . . . . . . . . 6898 2 97 . 1 1 16 16 ILE HG22 H 1 0.84 . . . . . . . . . . . 6898 2 98 . 1 1 16 16 ILE HG23 H 1 0.84 . . . . . . . . . . . 6898 2 99 . 1 1 16 16 ILE HD11 H 1 0.80 . . . . . . . . . . . 6898 2 100 . 1 1 16 16 ILE HD12 H 1 0.80 . . . . . . . . . . . 6898 2 101 . 1 1 16 16 ILE HD13 H 1 0.80 . . . . . . . . . . . 6898 2 102 . 1 1 17 17 ARG H H 1 8.59 . . . . . . . . . . . 6898 2 103 . 1 1 17 17 ARG HA H 1 4.38 . . . . . . . . . . . 6898 2 104 . 1 1 17 17 ARG HB2 H 1 1.80 . . . . . . . . . . . 6898 2 105 . 1 1 17 17 ARG HB3 H 1 1.71 . . . . . . . . . . . 6898 2 106 . 1 1 17 17 ARG HG2 H 1 1.61 . . . . . . . . . . . 6898 2 107 . 1 1 17 17 ARG HG3 H 1 1.55 . . . . . . . . . . . 6898 2 108 . 1 1 17 17 ARG HD2 H 1 3.15 . . . . . . . . . . . 6898 2 109 . 1 1 18 18 THR H H 1 8.25 . . . . . . . . . . . 6898 2 110 . 1 1 18 18 THR HA H 1 4.25 . . . . . . . . . . . 6898 2 111 . 1 1 18 18 THR HB H 1 4.14 . . . . . . . . . . . 6898 2 112 . 1 1 18 18 THR HG21 H 1 1.16 . . . . . . . . . . . 6898 2 113 . 1 1 18 18 THR HG22 H 1 1.16 . . . . . . . . . . . 6898 2 114 . 1 1 18 18 THR HG23 H 1 1.16 . . . . . . . . . . . 6898 2 115 . 1 1 19 19 ALA H H 1 8.609 . . . . . . . . . . . 6898 2 116 . 1 1 19 19 ALA HA H 1 4.256 . . . . . . . . . . . 6898 2 117 . 1 1 19 19 ALA HB1 H 1 1.27 . . . . . . . . . . . 6898 2 118 . 1 1 19 19 ALA HB2 H 1 1.27 . . . . . . . . . . . 6898 2 119 . 1 1 19 19 ALA HB3 H 1 1.27 . . . . . . . . . . . 6898 2 120 . 1 1 20 20 LYS H H 1 8.384 . . . . . . . . . . . 6898 2 121 . 1 1 20 20 LYS HA H 1 4.25 . . . . . . . . . . . 6898 2 122 . 1 1 20 20 LYS HB2 H 1 1.75 . . . . . . . . . . . 6898 2 123 . 1 1 20 20 LYS HG2 H 1 1.36 . . . . . . . . . . . 6898 2 124 . 1 1 20 20 LYS HD2 H 1 1.71 . . . . . . . . . . . 6898 2 125 . 1 1 20 20 LYS HE2 H 1 2.93 . . . . . . . . . . . 6898 2 126 . 1 1 21 21 VAL H H 1 8.34 . . . . . . . . . . . 6898 2 127 . 1 1 21 21 VAL HA H 1 4.05 . . . . . . . . . . . 6898 2 128 . 1 1 21 21 VAL HB H 1 2.02 . . . . . . . . . . . 6898 2 129 . 1 1 21 21 VAL HG11 H 1 0.9 . . . . . . . . . . . 6898 2 130 . 1 1 21 21 VAL HG12 H 1 0.9 . . . . . . . . . . . 6898 2 131 . 1 1 21 21 VAL HG13 H 1 0.9 . . . . . . . . . . . 6898 2 132 . 1 1 22 22 GLN H H 1 8.10 . . . . . . . . . . . 6898 2 133 . 1 1 22 22 GLN HA H 1 4.11 . . . . . . . . . . . 6898 2 134 . 1 1 22 22 GLN HB2 H 1 2.03 . . . . . . . . . . . 6898 2 135 . 1 1 22 22 GLN HG2 H 1 2.24 . . . . . . . . . . . 6898 2 stop_ save_