################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6835 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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_1 isotropic 6835 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 ARG HA H 1 4.11 0.01 . 1 . . . . 1 ARG HA . 6835 1 2 . 1 1 1 1 ARG HB2 H 1 1.96 0.01 . 1 . . . . 1 ARG HB2 . 6835 1 3 . 1 1 1 1 ARG HB3 H 1 1.96 0.01 . 1 . . . . 1 ARG HB3 . 6835 1 4 . 1 1 1 1 ARG HG2 H 1 1.71 0.01 . 1 . . . . 1 ARG HG2 . 6835 1 5 . 1 1 1 1 ARG HG3 H 1 1.71 0.01 . 1 . . . . 1 ARG HG3 . 6835 1 6 . 1 1 1 1 ARG HD2 H 1 3.23 0.01 . 1 . . . . 1 ARG HD2 . 6835 1 7 . 1 1 1 1 ARG HD3 H 1 3.23 0.01 . 1 . . . . 1 ARG HD3 . 6835 1 8 . 1 1 1 1 ARG HE H 1 7.22 0.01 . 1 . . . . 1 ARG HE . 6835 1 9 . 1 1 2 2 VAL H H 1 8.34 0.01 . 1 . . . . 2 VAL H . 6835 1 10 . 1 1 2 2 VAL HA H 1 4.18 0.01 . 1 . . . . 2 VAL HA . 6835 1 11 . 1 1 2 2 VAL HB H 1 2.08 0.01 . 1 . . . . 2 VAL HB . 6835 1 12 . 1 1 2 2 VAL HG11 H 1 0.98 0.01 . 1 . . . . 2 VAL HG1 . 6835 1 13 . 1 1 2 2 VAL HG12 H 1 0.98 0.01 . 1 . . . . 2 VAL HG1 . 6835 1 14 . 1 1 2 2 VAL HG13 H 1 0.98 0.01 . 1 . . . . 2 VAL HG1 . 6835 1 15 . 1 1 2 2 VAL HG21 H 1 0.98 0.01 . 1 . . . . 2 VAL HG2 . 6835 1 16 . 1 1 2 2 VAL HG22 H 1 0.98 0.01 . 1 . . . . 2 VAL HG2 . 6835 1 17 . 1 1 2 2 VAL HG23 H 1 0.98 0.01 . 1 . . . . 2 VAL HG2 . 6835 1 18 . 1 1 3 3 LYS H H 1 8.11 0.01 . 1 . . . . 3 LYS H . 6835 1 19 . 1 1 3 3 LYS HA H 1 4.83 0.01 . 1 . . . . 3 LYS HA . 6835 1 20 . 1 1 3 3 LYS HB2 H 1 1.82 0.01 . 2 . . . . 3 LYS HB2 . 6835 1 21 . 1 1 3 3 LYS HB3 H 1 1.71 0.01 . 2 . . . . 3 LYS HB3 . 6835 1 22 . 1 1 3 3 LYS HG2 H 1 1.49 0.01 . 1 . . . . 3 LYS HG2 . 6835 1 23 . 1 1 3 3 LYS HG3 H 1 1.49 0.01 . 1 . . . . 3 LYS HG3 . 6835 1 24 . 1 1 3 3 LYS HD2 H 1 1.39 0.01 . 1 . . . . 3 LYS HD2 . 6835 1 25 . 1 1 3 3 LYS HD3 H 1 1.39 0.01 . 1 . . . . 3 LYS HD3 . 6835 1 26 . 1 1 3 3 LYS HE2 H 1 2.99 0.01 . 1 . . . . 3 LYS HE2 . 6835 1 27 . 1 1 3 3 LYS HE3 H 1 2.99 0.01 . 1 . . . . 3 LYS HE3 . 6835 1 28 . 1 1 4 4 ARG H H 1 8.01 0.01 . 1 . . . . 4 ARG H . 6835 1 29 . 1 1 4 4 ARG HA H 1 4.31 0.01 . 1 . . . . 4 ARG HA . 6835 1 30 . 1 1 4 4 ARG HB2 H 1 1.62 0.01 . 1 . . . . 4 ARG HB2 . 6835 1 31 . 1 1 4 4 ARG HB3 H 1 1.62 0.01 . 1 . . . . 4 ARG HB3 . 6835 1 32 . 1 1 4 4 ARG HG2 H 1 1.41 0.01 . 1 . . . . 4 ARG HG2 . 6835 1 33 . 1 1 4 4 ARG HG3 H 1 1.41 0.01 . 1 . . . . 4 ARG HG3 . 6835 1 34 . 1 1 4 4 ARG HD2 H 1 3.09 0.01 . 1 . . . . 4 ARG HD2 . 6835 1 35 . 1 1 4 4 ARG HD3 H 1 3.09 0.01 . 1 . . . . 4 ARG HD3 . 6835 1 36 . 1 1 4 4 ARG HE H 1 7.08 0.01 . 1 . . . . 4 ARG HE . 6835 1 37 . 1 1 5 5 VAL H H 1 7.6 0.01 . 1 . . . . 5 VAL H . 6835 1 38 . 1 1 5 5 VAL HA H 1 4.25 0.01 . 1 . . . . 5 VAL HA . 6835 1 39 . 1 1 5 5 VAL HB H 1 2.2 0.01 . 1 . . . . 5 VAL HB . 6835 1 40 . 1 1 5 5 VAL HG11 H 1 0.93 0.01 . 1 . . . . 5 VAL HG1 . 6835 1 41 . 1 1 5 5 VAL HG12 H 1 0.93 0.01 . 1 . . . . 5 VAL HG1 . 6835 1 42 . 1 1 5 5 VAL HG13 H 1 0.93 0.01 . 1 . . . . 5 VAL HG1 . 6835 1 43 . 1 1 5 5 VAL HG21 H 1 0.93 0.01 . 1 . . . . 5 VAL HG2 . 6835 1 44 . 1 1 5 5 VAL HG22 H 1 0.93 0.01 . 1 . . . . 5 VAL HG2 . 6835 1 45 . 1 1 5 5 VAL HG23 H 1 0.93 0.01 . 1 . . . . 5 VAL HG2 . 6835 1 46 . 1 1 6 6 TRP H H 1 7.74 0.01 . 1 . . . . 6 TRP H . 6835 1 47 . 1 1 6 6 TRP HA H 1 4.75 0.01 . 1 . . . . 6 TRP HA . 6835 1 48 . 1 1 6 6 TRP HB2 H 1 3.37 0.01 . 1 . . . . 6 TRP HB2 . 6835 1 49 . 1 1 6 6 TRP HB3 H 1 3.37 0.01 . 1 . . . . 6 TRP HB3 . 6835 1 50 . 1 1 6 6 TRP HD1 H 1 7.26 0.01 . 1 . . . . 6 TRP HD1 . 6835 1 51 . 1 1 6 6 TRP HE1 H 1 9.75 0.01 . 1 . . . . 6 TRP HE1 . 6835 1 52 . 1 1 6 6 TRP HE3 H 1 7.52 0.01 . 1 . . . . 6 TRP HE3 . 6835 1 53 . 1 1 6 6 TRP HZ2 H 1 7.45 0.01 . 1 . . . . 6 TRP HZ2 . 6835 1 54 . 1 1 6 6 TRP HZ3 H 1 7.09 0.01 . 1 . . . . 6 TRP HZ3 . 6835 1 55 . 1 1 6 6 TRP HH2 H 1 7.2 0.01 . 1 . . . . 6 TRP HH2 . 6835 1 56 . 1 1 7 7 PRO HA H 1 4.19 0.01 . 1 . . . . 7 PRO HA . 6835 1 57 . 1 1 7 7 PRO HB2 H 1 2.3 0.01 . 2 . . . . 7 PRO HB2 . 6835 1 58 . 1 1 7 7 PRO HB3 H 1 1.67 0.01 . 2 . . . . 7 PRO HB3 . 6835 1 59 . 1 1 7 7 PRO HG2 H 1 1.98 0.01 . 1 . . . . 7 PRO HG2 . 6835 1 60 . 1 1 7 7 PRO HG3 H 1 1.98 0.01 . 1 . . . . 7 PRO HG3 . 6835 1 61 . 1 1 7 7 PRO HD2 H 1 3.59 0.01 . 1 . . . . 7 PRO HD2 . 6835 1 62 . 1 1 7 7 PRO HD3 H 1 3.59 0.01 . 1 . . . . 7 PRO HD3 . 6835 1 63 . 1 1 8 8 LEU H H 1 7.23 0.01 . 1 . . . . 8 LEU H . 6835 1 64 . 1 1 8 8 LEU HA H 1 4.15 0.01 . 1 . . . . 8 LEU HA . 6835 1 65 . 1 1 8 8 LEU HB2 H 1 1.74 0.01 . 1 . . . . 8 LEU HB2 . 6835 1 66 . 1 1 8 8 LEU HB3 H 1 1.74 0.01 . 1 . . . . 8 LEU HB3 . 6835 1 67 . 1 1 8 8 LEU HG H 1 1.64 0.01 . 1 . . . . 8 LEU HG . 6835 1 68 . 1 1 8 8 LEU HD11 H 1 0.94 0.01 . 1 . . . . 8 LEU HD1 . 6835 1 69 . 1 1 8 8 LEU HD12 H 1 0.94 0.01 . 1 . . . . 8 LEU HD1 . 6835 1 70 . 1 1 8 8 LEU HD13 H 1 0.94 0.01 . 1 . . . . 8 LEU HD1 . 6835 1 71 . 1 1 8 8 LEU HD21 H 1 0.86 0.01 . 1 . . . . 8 LEU HD2 . 6835 1 72 . 1 1 8 8 LEU HD22 H 1 0.86 0.01 . 1 . . . . 8 LEU HD2 . 6835 1 73 . 1 1 8 8 LEU HD23 H 1 0.86 0.01 . 1 . . . . 8 LEU HD2 . 6835 1 74 . 1 1 9 9 VAL H H 1 7.67 0.01 . 1 . . . . 9 VAL H . 6835 1 75 . 1 1 9 9 VAL HA H 1 3.62 0.01 . 1 . . . . 9 VAL HA . 6835 1 76 . 1 1 9 9 VAL HB H 1 2.25 0.01 . 1 . . . . 9 VAL HB . 6835 1 77 . 1 1 9 9 VAL HG11 H 1 0.99 0.01 . 1 . . . . 9 VAL HG1 . 6835 1 78 . 1 1 9 9 VAL HG12 H 1 0.99 0.01 . 1 . . . . 9 VAL HG1 . 6835 1 79 . 1 1 9 9 VAL HG13 H 1 0.99 0.01 . 1 . . . . 9 VAL HG1 . 6835 1 80 . 1 1 9 9 VAL HG21 H 1 0.93 0.01 . 1 . . . . 9 VAL HG2 . 6835 1 81 . 1 1 9 9 VAL HG22 H 1 0.93 0.01 . 1 . . . . 9 VAL HG2 . 6835 1 82 . 1 1 9 9 VAL HG23 H 1 0.93 0.01 . 1 . . . . 9 VAL HG2 . 6835 1 83 . 1 1 10 10 ILE H H 1 7.86 0.01 . 1 . . . . 10 ILE H . 6835 1 84 . 1 1 10 10 ILE HA H 1 3.73 0.01 . 1 . . . . 10 ILE HA . 6835 1 85 . 1 1 10 10 ILE HB H 1 1.82 0.01 . 1 . . . . 10 ILE HB . 6835 1 86 . 1 1 10 10 ILE HG12 H 1 1.5 0.01 . 2 . . . . 10 ILE HG12 . 6835 1 87 . 1 1 10 10 ILE HG13 H 1 1.21 0.01 . 2 . . . . 10 ILE HG13 . 6835 1 88 . 1 1 10 10 ILE HG21 H 1 0.88 0.01 . 1 . . . . 10 ILE HG2 . 6835 1 89 . 1 1 10 10 ILE HG22 H 1 0.88 0.01 . 1 . . . . 10 ILE HG2 . 6835 1 90 . 1 1 10 10 ILE HG23 H 1 0.88 0.01 . 1 . . . . 10 ILE HG2 . 6835 1 91 . 1 1 10 10 ILE HD11 H 1 0.88 0.01 . 1 . . . . 10 ILE HD1 . 6835 1 92 . 1 1 10 10 ILE HD12 H 1 0.88 0.01 . 1 . . . . 10 ILE HD1 . 6835 1 93 . 1 1 10 10 ILE HD13 H 1 0.88 0.01 . 1 . . . . 10 ILE HD1 . 6835 1 94 . 1 1 11 11 ARG H H 1 7.72 0.01 . 1 . . . . 11 ARG H . 6835 1 95 . 1 1 11 11 ARG HA H 1 3.96 0.01 . 1 . . . . 11 ARG HA . 6835 1 96 . 1 1 11 11 ARG HB2 H 1 1.96 0.01 . 1 . . . . 11 ARG HB2 . 6835 1 97 . 1 1 11 11 ARG HB3 H 1 1.96 0.01 . 1 . . . . 11 ARG HB3 . 6835 1 98 . 1 1 11 11 ARG HG2 H 1 1.89 0.01 . 1 . . . . 11 ARG HG2 . 6835 1 99 . 1 1 11 11 ARG HG3 H 1 1.89 0.01 . 1 . . . . 11 ARG HG3 . 6835 1 100 . 1 1 11 11 ARG HD2 H 1 3.16 0.01 . 1 . . . . 11 ARG HD2 . 6835 1 101 . 1 1 11 11 ARG HD3 H 1 3.16 0.01 . 1 . . . . 11 ARG HD3 . 6835 1 102 . 1 1 11 11 ARG HE H 1 7.07 0.01 . 1 . . . . 11 ARG HE . 6835 1 103 . 1 1 12 12 THR H H 1 7.74 0.01 . 1 . . . . 12 THR H . 6835 1 104 . 1 1 12 12 THR HA H 1 3.99 0.01 . 1 . . . . 12 THR HA . 6835 1 105 . 1 1 12 12 THR HB H 1 4.44 0.01 . 1 . . . . 12 THR HB . 6835 1 106 . 1 1 12 12 THR HG21 H 1 1.29 0.01 . 1 . . . . 12 THR HG2 . 6835 1 107 . 1 1 12 12 THR HG22 H 1 1.29 0.01 . 1 . . . . 12 THR HG2 . 6835 1 108 . 1 1 12 12 THR HG23 H 1 1.29 0.01 . 1 . . . . 12 THR HG2 . 6835 1 109 . 1 1 13 13 VAL H H 1 8.18 0.01 . 1 . . . . 13 VAL H . 6835 1 110 . 1 1 13 13 VAL HA H 1 3.72 0.01 . 1 . . . . 13 VAL HA . 6835 1 111 . 1 1 13 13 VAL HB H 1 2.27 0.01 . 1 . . . . 13 VAL HB . 6835 1 112 . 1 1 13 13 VAL HG11 H 1 1.06 0.01 . 1 . . . . 13 VAL HG1 . 6835 1 113 . 1 1 13 13 VAL HG12 H 1 1.06 0.01 . 1 . . . . 13 VAL HG1 . 6835 1 114 . 1 1 13 13 VAL HG13 H 1 1.06 0.01 . 1 . . . . 13 VAL HG1 . 6835 1 115 . 1 1 13 13 VAL HG21 H 1 1.06 0.01 . 1 . . . . 13 VAL HG2 . 6835 1 116 . 1 1 13 13 VAL HG22 H 1 1.06 0.01 . 1 . . . . 13 VAL HG2 . 6835 1 117 . 1 1 13 13 VAL HG23 H 1 1.06 0.01 . 1 . . . . 13 VAL HG2 . 6835 1 118 . 1 1 14 14 ILE H H 1 8.28 0.01 . 1 . . . . 14 ILE H . 6835 1 119 . 1 1 14 14 ILE HA H 1 3.78 0.01 . 1 . . . . 14 ILE HA . 6835 1 120 . 1 1 14 14 ILE HB H 1 1.94 0.01 . 1 . . . . 14 ILE HB . 6835 1 121 . 1 1 14 14 ILE HG12 H 1 1.57 0.01 . 2 . . . . 14 ILE HG12 . 6835 1 122 . 1 1 14 14 ILE HG13 H 1 1.09 0.01 . 2 . . . . 14 ILE HG13 . 6835 1 123 . 1 1 14 14 ILE HG21 H 1 0.96 0.01 . 1 . . . . 14 ILE HG2 . 6835 1 124 . 1 1 14 14 ILE HG22 H 1 0.96 0.01 . 1 . . . . 14 ILE HG2 . 6835 1 125 . 1 1 14 14 ILE HG23 H 1 0.96 0.01 . 1 . . . . 14 ILE HG2 . 6835 1 126 . 1 1 14 14 ILE HD11 H 1 0.81 0.01 . 1 . . . . 14 ILE HD1 . 6835 1 127 . 1 1 14 14 ILE HD12 H 1 0.81 0.01 . 1 . . . . 14 ILE HD1 . 6835 1 128 . 1 1 14 14 ILE HD13 H 1 0.81 0.01 . 1 . . . . 14 ILE HD1 . 6835 1 129 . 1 1 15 15 ALA H H 1 8.27 0.01 . 1 . . . . 15 ALA H . 6835 1 130 . 1 1 15 15 ALA HA H 1 4.2 0.01 . 1 . . . . 15 ALA HA . 6835 1 131 . 1 1 15 15 ALA HB1 H 1 1.57 0.01 . 1 . . . . 15 ALA HB . 6835 1 132 . 1 1 15 15 ALA HB2 H 1 1.57 0.01 . 1 . . . . 15 ALA HB . 6835 1 133 . 1 1 15 15 ALA HB3 H 1 1.57 0.01 . 1 . . . . 15 ALA HB . 6835 1 134 . 1 1 16 16 GLY H H 1 8.27 0.01 . 1 . . . . 16 GLY H . 6835 1 135 . 1 1 16 16 GLY HA2 H 1 3.92 0.01 . 1 . . . . 16 GLY HA2 . 6835 1 136 . 1 1 16 16 GLY HA3 H 1 3.9 0.01 . 1 . . . . 16 GLY HA3 . 6835 1 137 . 1 1 17 17 TYR H H 1 8.4 0.01 . 1 . . . . 17 TYR H . 6835 1 138 . 1 1 17 17 TYR HA H 1 4.38 0.01 . 1 . . . . 17 TYR HA . 6835 1 139 . 1 1 17 17 TYR HB2 H 1 3.19 0.01 . 1 . . . . 17 TYR HB2 . 6835 1 140 . 1 1 17 17 TYR HB3 H 1 3.19 0.01 . 1 . . . . 17 TYR HB3 . 6835 1 141 . 1 1 17 17 TYR HD1 H 1 7.11 0.01 . 1 . . . . 17 TYR HD1 . 6835 1 142 . 1 1 17 17 TYR HD2 H 1 7.11 0.01 . 1 . . . . 17 TYR HD2 . 6835 1 143 . 1 1 17 17 TYR HE1 H 1 6.78 0.01 . 1 . . . . 17 TYR HE1 . 6835 1 144 . 1 1 17 17 TYR HE2 H 1 6.78 0.01 . 1 . . . . 17 TYR HE2 . 6835 1 145 . 1 1 18 18 ASN H H 1 8.3 0.01 . 1 . . . . 18 ASN H . 6835 1 146 . 1 1 18 18 ASN HA H 1 4.39 0.01 . 1 . . . . 18 ASN HA . 6835 1 147 . 1 1 18 18 ASN HB2 H 1 2.99 0.01 . 2 . . . . 18 ASN HB2 . 6835 1 148 . 1 1 18 18 ASN HB3 H 1 2.74 0.01 . 2 . . . . 18 ASN HB3 . 6835 1 149 . 1 1 18 18 ASN HD21 H 1 7.44 0.01 . 2 . . . . 18 ASN HD21 . 6835 1 150 . 1 1 18 18 ASN HD22 H 1 6.54 0.01 . 2 . . . . 18 ASN HD22 . 6835 1 151 . 1 1 19 19 LEU H H 1 8.18 0.01 . 1 . . . . 19 LEU H . 6835 1 152 . 1 1 19 19 LEU HA H 1 4.18 0.01 . 1 . . . . 19 LEU HA . 6835 1 153 . 1 1 19 19 LEU HB2 H 1 1.79 0.01 . 1 . . . . 19 LEU HB2 . 6835 1 154 . 1 1 19 19 LEU HB3 H 1 1.79 0.01 . 1 . . . . 19 LEU HB3 . 6835 1 155 . 1 1 19 19 LEU HG H 1 1.69 0.01 . 1 . . . . 19 LEU HG . 6835 1 156 . 1 1 19 19 LEU HD11 H 1 0.92 0.01 . 1 . . . . 19 LEU HD1 . 6835 1 157 . 1 1 19 19 LEU HD12 H 1 0.92 0.01 . 1 . . . . 19 LEU HD1 . 6835 1 158 . 1 1 19 19 LEU HD13 H 1 0.92 0.01 . 1 . . . . 19 LEU HD1 . 6835 1 159 . 1 1 19 19 LEU HD21 H 1 0.92 0.01 . 1 . . . . 19 LEU HD2 . 6835 1 160 . 1 1 19 19 LEU HD22 H 1 0.92 0.01 . 1 . . . . 19 LEU HD2 . 6835 1 161 . 1 1 19 19 LEU HD23 H 1 0.92 0.01 . 1 . . . . 19 LEU HD2 . 6835 1 162 . 1 1 20 20 TYR H H 1 8.16 0.01 . 1 . . . . 20 TYR H . 6835 1 163 . 1 1 20 20 TYR HA H 1 4.14 0.01 . 1 . . . . 20 TYR HA . 6835 1 164 . 1 1 20 20 TYR HB2 H 1 3.15 0.01 . 1 . . . . 20 TYR HB2 . 6835 1 165 . 1 1 20 20 TYR HB3 H 1 3.15 0.01 . 1 . . . . 20 TYR HB3 . 6835 1 166 . 1 1 20 20 TYR HD1 H 1 7.01 0.01 . 1 . . . . 20 TYR HD1 . 6835 1 167 . 1 1 20 20 TYR HD2 H 1 7.01 0.01 . 1 . . . . 20 TYR HD2 . 6835 1 168 . 1 1 20 20 TYR HE1 H 1 6.77 0.01 . 1 . . . . 20 TYR HE1 . 6835 1 169 . 1 1 20 20 TYR HE2 H 1 6.77 0.01 . 1 . . . . 20 TYR HE2 . 6835 1 170 . 1 1 21 21 ARG H H 1 7.96 0.01 . 1 . . . . 21 ARG H . 6835 1 171 . 1 1 21 21 ARG HA H 1 3.82 0.01 . 1 . . . . 21 ARG HA . 6835 1 172 . 1 1 21 21 ARG HB2 H 1 1.81 0.01 . 2 . . . . 21 ARG HB2 . 6835 1 173 . 1 1 21 21 ARG HB3 H 1 1.66 0.01 . 2 . . . . 21 ARG HB3 . 6835 1 174 . 1 1 21 21 ARG HG2 H 1 1.51 0.01 . 1 . . . . 21 ARG HG2 . 6835 1 175 . 1 1 21 21 ARG HG3 H 1 1.51 0.01 . 1 . . . . 21 ARG HG3 . 6835 1 176 . 1 1 21 21 ARG HD2 H 1 3.1 0.01 . 1 . . . . 21 ARG HD2 . 6835 1 177 . 1 1 21 21 ARG HD3 H 1 3.1 0.01 . 1 . . . . 21 ARG HD3 . 6835 1 178 . 1 1 21 21 ARG HE H 1 7.07 0.01 . 1 . . . . 21 ARG HE . 6835 1 179 . 1 1 22 22 ALA H H 1 7.76 0.01 . 1 . . . . 22 ALA H . 6835 1 180 . 1 1 22 22 ALA HA H 1 4.15 0.01 . 1 . . . . 22 ALA HA . 6835 1 181 . 1 1 22 22 ALA HB1 H 1 1.53 0.01 . 1 . . . . 22 ALA HB . 6835 1 182 . 1 1 22 22 ALA HB2 H 1 1.53 0.01 . 1 . . . . 22 ALA HB . 6835 1 183 . 1 1 22 22 ALA HB3 H 1 1.53 0.01 . 1 . . . . 22 ALA HB . 6835 1 184 . 1 1 23 23 ILE H H 1 7.94 0.01 . 1 . . . . 23 ILE H . 6835 1 185 . 1 1 23 23 ILE HA H 1 3.95 0.01 . 1 . . . . 23 ILE HA . 6835 1 186 . 1 1 23 23 ILE HB H 1 1.91 0.01 . 1 . . . . 23 ILE HB . 6835 1 187 . 1 1 23 23 ILE HG12 H 1 1.61 0.01 . 2 . . . . 23 ILE HG12 . 6835 1 188 . 1 1 23 23 ILE HG13 H 1 1.24 0.01 . 2 . . . . 23 ILE HG13 . 6835 1 189 . 1 1 23 23 ILE HG21 H 1 0.9 0.01 . 1 . . . . 23 ILE HG2 . 6835 1 190 . 1 1 23 23 ILE HG22 H 1 0.9 0.01 . 1 . . . . 23 ILE HG2 . 6835 1 191 . 1 1 23 23 ILE HG23 H 1 0.9 0.01 . 1 . . . . 23 ILE HG2 . 6835 1 192 . 1 1 23 23 ILE HD11 H 1 0.83 0.01 . 1 . . . . 23 ILE HD1 . 6835 1 193 . 1 1 23 23 ILE HD12 H 1 0.83 0.01 . 1 . . . . 23 ILE HD1 . 6835 1 194 . 1 1 23 23 ILE HD13 H 1 0.83 0.01 . 1 . . . . 23 ILE HD1 . 6835 1 195 . 1 1 24 24 LYS H H 1 7.87 0.01 . 1 . . . . 24 LYS H . 6835 1 196 . 1 1 24 24 LYS HA H 1 4.16 0.01 . 1 . . . . 24 LYS HA . 6835 1 197 . 1 1 24 24 LYS HB2 H 1 1.7 0.01 . 1 . . . . 24 LYS HB2 . 6835 1 198 . 1 1 24 24 LYS HB3 H 1 1.7 0.01 . 1 . . . . 24 LYS HB3 . 6835 1 199 . 1 1 24 24 LYS HG2 H 1 1.59 0.01 . 1 . . . . 24 LYS HG2 . 6835 1 200 . 1 1 24 24 LYS HG3 H 1 1.59 0.01 . 1 . . . . 24 LYS HG3 . 6835 1 201 . 1 1 24 24 LYS HD2 H 1 1.27 0.01 . 1 . . . . 24 LYS HD2 . 6835 1 202 . 1 1 24 24 LYS HD3 H 1 1.27 0.01 . 1 . . . . 24 LYS HD3 . 6835 1 203 . 1 1 24 24 LYS HE2 H 1 2.95 0.01 . 1 . . . . 24 LYS HE2 . 6835 1 204 . 1 1 24 24 LYS HE3 H 1 2.95 0.01 . 1 . . . . 24 LYS HE3 . 6835 1 205 . 1 1 25 25 LYS H H 1 7.76 0.01 . 1 . . . . 25 LYS H . 6835 1 206 . 1 1 25 25 LYS HA H 1 4.24 0.01 . 1 . . . . 25 LYS HA . 6835 1 207 . 1 1 25 25 LYS HB2 H 1 1.88 0.01 . 1 . . . . 25 LYS HB2 . 6835 1 208 . 1 1 25 25 LYS HB3 H 1 1.88 0.01 . 1 . . . . 25 LYS HB3 . 6835 1 209 . 1 1 25 25 LYS HG2 H 1 1.7 0.01 . 1 . . . . 25 LYS HG2 . 6835 1 210 . 1 1 25 25 LYS HG3 H 1 1.7 0.01 . 1 . . . . 25 LYS HG3 . 6835 1 211 . 1 1 25 25 LYS HD2 H 1 1.5 0.01 . 1 . . . . 25 LYS HD2 . 6835 1 212 . 1 1 25 25 LYS HD3 H 1 1.5 0.01 . 1 . . . . 25 LYS HD3 . 6835 1 213 . 1 1 25 25 LYS HE2 H 1 2.99 0.01 . 1 . . . . 25 LYS HE2 . 6835 1 214 . 1 1 25 25 LYS HE3 H 1 2.99 0.01 . 1 . . . . 25 LYS HE3 . 6835 1 215 . 1 1 26 26 LYS H H 1 7.75 0.01 . 1 . . . . 26 LYS H . 6835 1 216 . 1 1 26 26 LYS HA H 1 4.26 0.01 . 1 . . . . 26 LYS HA . 6835 1 217 . 1 1 26 26 LYS HB2 H 1 1.91 0.01 . 1 . . . . 26 LYS HB2 . 6835 1 218 . 1 1 26 26 LYS HB3 H 1 1.91 0.01 . 1 . . . . 26 LYS HB3 . 6835 1 219 . 1 1 26 26 LYS HG2 H 1 1.73 0.01 . 1 . . . . 26 LYS HG2 . 6835 1 220 . 1 1 26 26 LYS HG3 H 1 1.73 0.01 . 1 . . . . 26 LYS HG3 . 6835 1 221 . 1 1 26 26 LYS HD2 H 1 1.5 0.01 . 1 . . . . 26 LYS HD2 . 6835 1 222 . 1 1 26 26 LYS HD3 H 1 1.5 0.01 . 1 . . . . 26 LYS HD3 . 6835 1 223 . 1 1 26 26 LYS HE2 H 1 3.02 0.01 . 1 . . . . 26 LYS HE2 . 6835 1 224 . 1 1 26 26 LYS HE3 H 1 3.02 0.01 . 1 . . . . 26 LYS HE3 . 6835 1 stop_ save_