################################### # 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 19309 _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' 1 $sample_1 . 19309 1 2 '2D 1H-1H NOESY' 1 $sample_1 . 19309 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 ASP HA H 1 4.13 0.003 . 1 . . . A 1 ASP HA . 19309 1 2 . 1 1 1 1 ASP HB2 H 1 2.70 0.001 . 1 . . . A 1 ASP HB2 . 19309 1 3 . 1 1 1 1 ASP HB3 H 1 2.85 0.007 . 1 . . . A 1 ASP HB3 . 19309 1 4 . 1 1 2 2 ALA H H 1 8.60 0.003 . 1 . . . A 2 ALA H . 19309 1 5 . 1 1 2 2 ALA HA H 1 4.34 0.004 . 1 . . . A 2 ALA HA . 19309 1 6 . 1 1 2 2 ALA HB1 H 1 1.20 0.001 . 1 . . . A 2 ALA HB1 . 19309 1 7 . 1 1 2 2 ALA HB2 H 1 1.20 0.001 . 1 . . . A 2 ALA HB2 . 19309 1 8 . 1 1 2 2 ALA HB3 H 1 1.20 0.001 . 1 . . . A 2 ALA HB3 . 19309 1 9 . 1 1 3 3 GLU H H 1 8.08 0.003 . 1 . . . A 3 GLU H . 19309 1 10 . 1 1 3 3 GLU HA H 1 4.24 0.007 . 1 . . . A 3 GLU HA . 19309 1 11 . 1 1 3 3 GLU HB2 H 1 1.70 0.005 . 1 . . . A 3 GLU HB2 . 19309 1 12 . 1 1 3 3 GLU HB3 H 1 1.85 0.004 . 1 . . . A 3 GLU HB3 . 19309 1 13 . 1 1 3 3 GLU HG2 H 1 2.21 0.005 . 1 . . . A 3 GLU HG2 . 19309 1 14 . 1 1 3 3 GLU HG3 H 1 2.21 0.005 . 1 . . . A 3 GLU HG3 . 19309 1 15 . 1 1 4 4 PHE H H 1 7.92 0.004 . 1 . . . A 4 PHE H . 19309 1 16 . 1 1 4 4 PHE HA H 1 4.58 0.009 . 1 . . . A 4 PHE HA . 19309 1 17 . 1 1 4 4 PHE HB2 H 1 2.79 0.008 . 1 . . . A 4 PHE HB2 . 19309 1 18 . 1 1 4 4 PHE HB3 H 1 3.02 0.006 . 1 . . . A 4 PHE HB3 . 19309 1 19 . 1 1 4 4 PHE HD1 H 1 7.20 0.010 . 1 . . . A 4 PHE HD1 . 19309 1 20 . 1 1 4 4 PHE HD2 H 1 7.20 0.010 . 1 . . . A 4 PHE HD2 . 19309 1 21 . 1 1 4 4 PHE HE1 H 1 7.25 0.002 . 1 . . . A 4 PHE HE1 . 19309 1 22 . 1 1 4 4 PHE HE2 H 1 7.25 0.002 . 1 . . . A 4 PHE HE2 . 19309 1 23 . 1 1 5 5 ARG H H 1 8.31 0.007 . 1 . . . A 5 ARG H . 19309 1 24 . 1 1 5 5 ARG HA H 1 4.29 0.005 . 1 . . . A 5 ARG HA . 19309 1 25 . 1 1 5 5 ARG HB2 H 1 1.55 0.004 . 1 . . . A 5 ARG HB2 . 19309 1 26 . 1 1 5 5 ARG HB3 H 1 1.70 0.004 . 1 . . . A 5 ARG HB3 . 19309 1 27 . 1 1 5 5 ARG HG2 H 1 1.51 0.001 . 1 . . . A 5 ARG HG2 . 19309 1 28 . 1 1 5 5 ARG HG3 H 1 1.51 0.001 . 1 . . . A 5 ARG HG3 . 19309 1 29 . 1 1 5 5 ARG HD2 H 1 3.13 0.003 . 1 . . . A 5 ARG HD2 . 19309 1 30 . 1 1 5 5 ARG HD3 H 1 3.13 0.003 . 1 . . . A 5 ARG HD3 . 19309 1 31 . 1 1 5 5 ARG HE H 1 7.58 0.002 . 1 . . . A 5 ARG HE . 19309 1 32 . 1 1 6 6 HIS H H 1 8.30 0.005 . 1 . . . A 6 HIS H . 19309 1 33 . 1 1 6 6 HIS HA H 1 4.63 0.007 . 1 . . . A 6 HIS HA . 19309 1 34 . 1 1 6 6 HIS HB2 H 1 3.06 0.008 . 1 . . . A 6 HIS HB2 . 19309 1 35 . 1 1 6 6 HIS HB3 H 1 2.95 0.004 . 1 . . . A 6 HIS HB3 . 19309 1 36 . 1 1 6 6 HIS HD2 H 1 7.32 0.005 . 1 . . . A 6 HIS HD2 . 19309 1 37 . 1 1 6 6 HIS HE1 H 1 8.94 0.001 . 1 . . . A 6 HIS HE1 . 19309 1 38 . 1 1 7 7 ASP H H 1 8.42 0.006 . 1 . . . A 7 ASP H . 19309 1 39 . 1 1 7 7 ASP HA H 1 4.63 0.007 . 1 . . . A 7 ASP HA . 19309 1 40 . 1 1 7 7 ASP HB2 H 1 2.52 0.001 . 1 . . . A 7 ASP HB2 . 19309 1 41 . 1 1 7 7 ASP HB3 H 1 2.73 0.003 . 1 . . . A 7 ASP HB3 . 19309 1 42 . 1 1 8 8 SER H H 1 8.10 0.007 . 1 . . . A 8 SER H . 19309 1 43 . 1 1 8 8 SER HA H 1 4.29 0.006 . 1 . . . A 8 SER HA . 19309 1 44 . 1 1 8 8 SER HB2 H 1 3.60 0.002 . 1 . . . A 8 SER HB2 . 19309 1 45 . 1 1 8 8 SER HB3 H 1 3.53 0.001 . 1 . . . A 8 SER HB3 . 19309 1 46 . 1 1 9 9 GLY H H 1 8.07 0.006 . 1 . . . A 9 GLY H . 19309 1 47 . 1 1 9 9 GLY HA2 H 1 3.68 0.002 . 1 . . . A 9 GLY HA2 . 19309 1 48 . 1 1 9 9 GLY HA3 H 1 3.75 0.007 . 1 . . . A 9 GLY HA3 . 19309 1 49 . 1 1 10 10 TYR H H 1 8.01 0.002 . 1 . . . A 10 TYR H . 19309 1 50 . 1 1 10 10 TYR HA H 1 4.50 0.004 . 1 . . . A 10 TYR HA . 19309 1 51 . 1 1 10 10 TYR HB2 H 1 2.85 0.005 . 1 . . . A 10 TYR HB2 . 19309 1 52 . 1 1 10 10 TYR HB3 H 1 2.60 0.004 . 1 . . . A 10 TYR HB3 . 19309 1 53 . 1 1 10 10 TYR HD1 H 1 6.98 0.005 . 1 . . . A 10 TYR HD1 . 19309 1 54 . 1 1 10 10 TYR HD2 H 1 6.98 0.005 . 1 . . . A 10 TYR HD2 . 19309 1 55 . 1 1 10 10 TYR HE1 H 1 6.61 0.003 . 1 . . . A 10 TYR HE1 . 19309 1 56 . 1 1 10 10 TYR HE2 H 1 6.61 0.003 . 1 . . . A 10 TYR HE2 . 19309 1 57 . 1 1 11 11 GLU H H 1 8.23 0.004 . 1 . . . A 11 GLU H . 19309 1 58 . 1 1 11 11 GLU HA H 1 4.34 0.004 . 1 . . . A 11 GLU HA . 19309 1 59 . 1 1 11 11 GLU HB2 H 1 1.73 0.004 . 1 . . . A 11 GLU HB2 . 19309 1 60 . 1 1 11 11 GLU HB3 H 1 1.86 0.005 . 1 . . . A 11 GLU HB3 . 19309 1 61 . 1 1 11 11 GLU HG2 H 1 2.22 0.001 . 1 . . . A 11 GLU HG2 . 19309 1 62 . 1 1 11 11 GLU HG3 H 1 2.22 0.001 . 1 . . . A 11 GLU HG3 . 19309 1 63 . 1 1 12 12 VAL H H 1 7.78 0.003 . 1 . . . A 12 VAL H . 19309 1 64 . 1 1 12 12 VAL HA H 1 4.15 0.003 . 1 . . . A 12 VAL HA . 19309 1 65 . 1 1 12 12 VAL HB H 1 1.90 0.003 . 1 . . . A 12 VAL HB . 19309 1 66 . 1 1 12 12 VAL HG11 H 1 0.77 0.003 . 1 . . . A 12 VAL HG11 . 19309 1 67 . 1 1 12 12 VAL HG12 H 1 0.77 0.003 . 1 . . . A 12 VAL HG12 . 19309 1 68 . 1 1 12 12 VAL HG13 H 1 0.77 0.003 . 1 . . . A 12 VAL HG13 . 19309 1 69 . 1 1 12 12 VAL HG21 H 1 0.77 0.003 . 1 . . . A 12 VAL HG21 . 19309 1 70 . 1 1 12 12 VAL HG22 H 1 0.77 0.003 . 1 . . . A 12 VAL HG22 . 19309 1 71 . 1 1 12 12 VAL HG23 H 1 0.77 0.003 . 1 . . . A 12 VAL HG23 . 19309 1 72 . 1 1 13 13 HIS H H 1 8.37 0.004 . 1 . . . A 13 HIS H . 19309 1 73 . 1 1 13 13 HIS HA H 1 4.63 0.010 . 1 . . . A 13 HIS HA . 19309 1 74 . 1 1 13 13 HIS HB2 H 1 2.94 0.006 . 1 . . . A 13 HIS HB2 . 19309 1 75 . 1 1 13 13 HIS HB3 H 1 3.04 0.006 . 1 . . . A 13 HIS HB3 . 19309 1 76 . 1 1 13 13 HIS HD2 H 1 7.32 0.005 . 1 . . . A 13 HIS HD2 . 19309 1 77 . 1 1 13 13 HIS HE1 H 1 8.94 0.001 . 1 . . . A 13 HIS HE1 . 19309 1 78 . 1 1 14 14 HIS H H 1 8.28 0.009 . 1 . . . A 14 HIS H . 19309 1 79 . 1 1 14 14 HIS HA H 1 4.63 0.010 . 1 . . . A 14 HIS HA . 19309 1 80 . 1 1 14 14 HIS HB2 H 1 3.07 0.004 . 1 . . . A 14 HIS HB2 . 19309 1 81 . 1 1 14 14 HIS HB3 H 1 2.96 0.004 . 1 . . . A 14 HIS HB3 . 19309 1 82 . 1 1 14 14 HIS HD2 H 1 7.33 0.005 . 1 . . . A 14 HIS HD2 . 19309 1 83 . 1 1 14 14 HIS HE1 H 1 8.95 0.001 . 1 . . . A 14 HIS HE1 . 19309 1 84 . 1 1 15 15 GLN H H 1 8.30 0.005 . 1 . . . A 15 GLN H . 19309 1 85 . 1 1 15 15 GLN HA H 1 4.27 0.012 . 1 . . . A 15 GLN HA . 19309 1 86 . 1 1 15 15 GLN HB2 H 1 1.73 0.003 . 1 . . . A 15 GLN HB2 . 19309 1 87 . 1 1 15 15 GLN HB3 H 1 1.86 0.001 . 1 . . . A 15 GLN HB3 . 19309 1 88 . 1 1 15 15 GLN HG2 H 1 2.10 0.001 . 1 . . . A 15 GLN HG2 . 19309 1 89 . 1 1 15 15 GLN HG3 H 1 2.10 0.001 . 1 . . . A 15 GLN HG3 . 19309 1 90 . 1 1 16 16 LYS H H 1 8.24 0.017 . 1 . . . A 16 LYS H . 19309 1 91 . 1 1 16 16 LYS HA H 1 4.28 0.010 . 1 . . . A 16 LYS HA . 19309 1 92 . 1 1 16 16 LYS HB2 H 1 1.60 0.008 . 1 . . . A 16 LYS HB2 . 19309 1 93 . 1 1 16 16 LYS HB3 H 1 1.60 0.008 . 1 . . . A 16 LYS HB3 . 19309 1 94 . 1 1 16 16 LYS HG2 H 1 1.26 0.009 . 1 . . . A 16 LYS HG2 . 19309 1 95 . 1 1 16 16 LYS HG3 H 1 1.26 0.009 . 1 . . . A 16 LYS HG3 . 19309 1 96 . 1 1 16 16 LYS HD2 H 1 1.48 0.009 . 1 . . . A 16 LYS HD2 . 19309 1 97 . 1 1 16 16 LYS HD3 H 1 1.48 0.009 . 1 . . . A 16 LYS HD3 . 19309 1 98 . 1 1 16 16 LYS HE2 H 1 3.00 0.005 . 1 . . . A 16 LYS HE2 . 19309 1 99 . 1 1 16 16 LYS HE3 H 1 3.00 0.005 . 1 . . . A 16 LYS HE3 . 19309 1 100 . 1 1 17 17 LEU H H 1 8.02 0.005 . 1 . . . A 17 LEU H . 19309 1 101 . 1 1 17 17 LEU HA H 1 4.35 0.007 . 1 . . . A 17 LEU HA . 19309 1 102 . 1 1 17 17 LEU HB2 H 1 1.37 0.018 . 1 . . . A 17 LEU HB2 . 19309 1 103 . 1 1 17 17 LEU HB3 H 1 1.37 0.018 . 1 . . . A 17 LEU HB3 . 19309 1 104 . 1 1 17 17 LEU HG H 1 1.38 0.006 . 1 . . . A 17 LEU HG . 19309 1 105 . 1 1 17 17 LEU HD11 H 1 0.75 0.007 . 1 . . . A 17 LEU HD11 . 19309 1 106 . 1 1 17 17 LEU HD12 H 1 0.75 0.007 . 1 . . . A 17 LEU HD12 . 19309 1 107 . 1 1 17 17 LEU HD13 H 1 0.75 0.007 . 1 . . . A 17 LEU HD13 . 19309 1 108 . 1 1 17 17 LEU HD21 H 1 0.75 0.007 . 1 . . . A 17 LEU HD21 . 19309 1 109 . 1 1 17 17 LEU HD22 H 1 0.75 0.007 . 1 . . . A 17 LEU HD22 . 19309 1 110 . 1 1 17 17 LEU HD23 H 1 0.75 0.007 . 1 . . . A 17 LEU HD23 . 19309 1 111 . 1 1 18 18 VAL H H 1 7.74 0.004 . 1 . . . A 18 VAL H . 19309 1 112 . 1 1 18 18 VAL HA H 1 4.11 0.004 . 1 . . . A 18 VAL HA . 19309 1 113 . 1 1 18 18 VAL HB H 1 1.82 0.004 . 1 . . . A 18 VAL HB . 19309 1 114 . 1 1 18 18 VAL HG11 H 1 0.68 0.004 . 1 . . . A 18 VAL HG11 . 19309 1 115 . 1 1 18 18 VAL HG12 H 1 0.68 0.004 . 1 . . . A 18 VAL HG12 . 19309 1 116 . 1 1 18 18 VAL HG13 H 1 0.68 0.004 . 1 . . . A 18 VAL HG13 . 19309 1 117 . 1 1 18 18 VAL HG21 H 1 0.68 0.004 . 1 . . . A 18 VAL HG21 . 19309 1 118 . 1 1 18 18 VAL HG22 H 1 0.68 0.004 . 1 . . . A 18 VAL HG22 . 19309 1 119 . 1 1 18 18 VAL HG23 H 1 0.68 0.004 . 1 . . . A 18 VAL HG23 . 19309 1 120 . 1 1 19 19 PHE H H 1 7.93 0.007 . 1 . . . A 19 PHE H . 19309 1 121 . 1 1 19 19 PHE HA H 1 4.55 0.008 . 1 . . . A 19 PHE HA . 19309 1 122 . 1 1 19 19 PHE HB2 H 1 2.92 0.009 . 1 . . . A 19 PHE HB2 . 19309 1 123 . 1 1 19 19 PHE HB3 H 1 2.70 0.004 . 1 . . . A 19 PHE HB3 . 19309 1 124 . 1 1 19 19 PHE HD1 H 1 7.14 0.005 . 1 . . . A 19 PHE HD1 . 19309 1 125 . 1 1 19 19 PHE HD2 H 1 7.14 0.005 . 1 . . . A 19 PHE HD2 . 19309 1 126 . 1 1 19 19 PHE HE1 H 1 7.19 0.004 . 1 . . . A 19 PHE HE1 . 19309 1 127 . 1 1 19 19 PHE HE2 H 1 7.19 0.004 . 1 . . . A 19 PHE HE2 . 19309 1 128 . 1 1 20 20 PHE H H 1 8.12 0.007 . 1 . . . A 20 PHE H . 19309 1 129 . 1 1 20 20 PHE HA H 1 4.59 0.005 . 1 . . . A 20 PHE HA . 19309 1 130 . 1 1 20 20 PHE HB2 H 1 2.79 0.006 . 1 . . . A 20 PHE HB2 . 19309 1 131 . 1 1 20 20 PHE HB3 H 1 2.99 0.005 . 1 . . . A 20 PHE HB3 . 19309 1 132 . 1 1 20 20 PHE HD1 H 1 7.15 0.003 . 1 . . . A 20 PHE HD1 . 19309 1 133 . 1 1 20 20 PHE HD2 H 1 7.15 0.003 . 1 . . . A 20 PHE HD2 . 19309 1 134 . 1 1 20 20 PHE HE1 H 1 7.20 0.004 . 1 . . . A 20 PHE HE1 . 19309 1 135 . 1 1 20 20 PHE HE2 H 1 7.20 0.004 . 1 . . . A 20 PHE HE2 . 19309 1 136 . 1 1 21 21 ALA H H 1 8.19 0.004 . 1 . . . A 21 ALA H . 19309 1 137 . 1 1 21 21 ALA HA H 1 4.35 0.003 . 1 . . . A 21 ALA HA . 19309 1 138 . 1 1 21 21 ALA HB1 H 1 1.19 0.004 . 1 . . . A 21 ALA HB1 . 19309 1 139 . 1 1 21 21 ALA HB2 H 1 1.19 0.004 . 1 . . . A 21 ALA HB2 . 19309 1 140 . 1 1 21 21 ALA HB3 H 1 1.19 0.004 . 1 . . . A 21 ALA HB3 . 19309 1 141 . 1 1 22 22 GLU H H 1 8.03 0.003 . 1 . . . A 22 GLU H . 19309 1 142 . 1 1 22 22 GLU HA H 1 4.33 0.006 . 1 . . . A 22 GLU HA . 19309 1 143 . 1 1 22 22 GLU HB2 H 1 1.73 0.006 . 1 . . . A 22 GLU HB2 . 19309 1 144 . 1 1 22 22 GLU HB3 H 1 1.87 0.001 . 1 . . . A 22 GLU HB3 . 19309 1 145 . 1 1 22 22 GLU HG2 H 1 2.21 0.001 . 1 . . . A 22 GLU HG2 . 19309 1 146 . 1 1 22 22 GLU HG3 H 1 2.21 0.001 . 1 . . . A 22 GLU HG3 . 19309 1 147 . 1 1 23 23 ASP H H 1 8.28 0.004 . 1 . . . A 23 ASP H . 19309 1 148 . 1 1 23 23 ASP HA H 1 4.63 0.004 . 1 . . . A 23 ASP HA . 19309 1 149 . 1 1 23 23 ASP HB2 H 1 2.69 0.005 . 1 . . . A 23 ASP HB2 . 19309 1 150 . 1 1 23 23 ASP HB3 H 1 2.49 0.004 . 1 . . . A 23 ASP HB3 . 19309 1 151 . 1 1 24 24 VAL H H 1 7.68 0.003 . 1 . . . A 24 VAL H . 19309 1 152 . 1 1 24 24 VAL HA H 1 4.18 0.005 . 1 . . . A 24 VAL HA . 19309 1 153 . 1 1 24 24 VAL HB H 1 1.95 0.007 . 1 . . . A 24 VAL HB . 19309 1 154 . 1 1 24 24 VAL HG11 H 1 0.80 0.009 . 1 . . . A 24 VAL HG11 . 19309 1 155 . 1 1 24 24 VAL HG12 H 1 0.80 0.009 . 1 . . . A 24 VAL HG12 . 19309 1 156 . 1 1 24 24 VAL HG13 H 1 0.80 0.009 . 1 . . . A 24 VAL HG13 . 19309 1 157 . 1 1 24 24 VAL HG21 H 1 0.80 0.009 . 1 . . . A 24 VAL HG21 . 19309 1 158 . 1 1 24 24 VAL HG22 H 1 0.80 0.009 . 1 . . . A 24 VAL HG22 . 19309 1 159 . 1 1 24 24 VAL HG23 H 1 0.80 0.009 . 1 . . . A 24 VAL HG23 . 19309 1 160 . 1 1 25 25 GLY H H 1 8.15 0.004 . 1 . . . A 25 GLY H . 19309 1 161 . 1 1 25 25 GLY HA2 H 1 3.76 0.006 . 1 . . . A 25 GLY HA2 . 19309 1 162 . 1 1 25 25 GLY HA3 H 1 3.83 0.004 . 1 . . . A 25 GLY HA3 . 19309 1 163 . 1 1 26 26 SER H H 1 7.97 0.006 . 1 . . . A 26 SER H . 19309 1 164 . 1 1 26 26 SER HA H 1 4.38 0.003 . 1 . . . A 26 SER HA . 19309 1 165 . 1 1 26 26 SER HB2 H 1 3.51 0.006 . 1 . . . A 26 SER HB2 . 19309 1 166 . 1 1 26 26 SER HB3 H 1 3.56 0.004 . 1 . . . A 26 SER HB3 . 19309 1 167 . 1 1 27 27 ASN H H 1 8.27 0.004 . 1 . . . A 27 ASN H . 19309 1 168 . 1 1 27 27 ASN HA H 1 4.58 0.011 . 1 . . . A 27 ASN HA . 19309 1 169 . 1 1 27 27 ASN HB2 H 1 2.48 0.004 . 1 . . . A 27 ASN HB2 . 19309 1 170 . 1 1 27 27 ASN HB3 H 1 2.57 0.005 . 1 . . . A 27 ASN HB3 . 19309 1 171 . 1 1 27 27 ASN HD21 H 1 6.96 0.001 . 1 . . . A 27 ASN HD21 . 19309 1 172 . 1 1 27 27 ASN HD22 H 1 7.41 0.001 . 1 . . . A 27 ASN HD22 . 19309 1 173 . 1 1 28 28 LYS H H 1 8.00 0.006 . 1 . . . A 28 LYS H . 19309 1 174 . 1 1 28 28 LYS HA H 1 4.18 0.004 . 1 . . . A 28 LYS HA . 19309 1 175 . 1 1 28 28 LYS HB2 H 1 1.69 0.006 . 1 . . . A 28 LYS HB2 . 19309 1 176 . 1 1 28 28 LYS HB3 H 1 1.69 0.006 . 1 . . . A 28 LYS HB3 . 19309 1 177 . 1 1 28 28 LYS HG2 H 1 1.30 0.008 . 1 . . . A 28 LYS HG2 . 19309 1 178 . 1 1 28 28 LYS HG3 H 1 1.30 0.008 . 1 . . . A 28 LYS HG3 . 19309 1 179 . 1 1 28 28 LYS HD2 H 1 1.50 0.006 . 1 . . . A 28 LYS HD2 . 19309 1 180 . 1 1 28 28 LYS HD3 H 1 1.50 0.006 . 1 . . . A 28 LYS HD3 . 19309 1 181 . 1 1 28 28 LYS HE2 H 1 2.74 0.004 . 1 . . . A 28 LYS HE2 . 19309 1 182 . 1 1 28 28 LYS HE3 H 1 2.74 0.004 . 1 . . . A 28 LYS HE3 . 19309 1 183 . 1 1 29 29 GLY H H 1 8.15 0.006 . 1 . . . A 29 GLY H . 19309 1 184 . 1 1 29 29 GLY HA2 H 1 3.71 0.008 . 1 . . . A 29 GLY HA2 . 19309 1 185 . 1 1 29 29 GLY HA3 H 1 3.78 0.007 . 1 . . . A 29 GLY HA3 . 19309 1 186 . 1 1 30 30 ALA H H 1 7.89 0.003 . 1 . . . A 30 ALA H . 19309 1 187 . 1 1 30 30 ALA HA H 1 4.36 0.005 . 1 . . . A 30 ALA HA . 19309 1 188 . 1 1 30 30 ALA HB1 H 1 1.16 0.001 . 1 . . . A 30 ALA HB1 . 19309 1 189 . 1 1 30 30 ALA HB2 H 1 1.16 0.001 . 1 . . . A 30 ALA HB2 . 19309 1 190 . 1 1 30 30 ALA HB3 H 1 1.16 0.001 . 1 . . . A 30 ALA HB3 . 19309 1 191 . 1 1 31 31 ILE H H 1 7.92 0.005 . 1 . . . A 31 ILE H . 19309 1 192 . 1 1 31 31 ILE HA H 1 4.19 0.004 . 1 . . . A 31 ILE HA . 19309 1 193 . 1 1 31 31 ILE HB H 1 1.71 0.007 . 1 . . . A 31 ILE HB . 19309 1 194 . 1 1 31 31 ILE HG12 H 1 1.04 0.005 . 1 . . . A 31 ILE HG12 . 19309 1 195 . 1 1 31 31 ILE HG13 H 1 1.41 0.005 . 1 . . . A 31 ILE HG13 . 19309 1 196 . 1 1 31 31 ILE HG21 H 1 0.78 0.012 . 1 . . . A 31 ILE HG21 . 19309 1 197 . 1 1 31 31 ILE HG22 H 1 0.78 0.012 . 1 . . . A 31 ILE HG22 . 19309 1 198 . 1 1 31 31 ILE HG23 H 1 0.78 0.012 . 1 . . . A 31 ILE HG23 . 19309 1 199 . 1 1 31 31 ILE HD11 H 1 0.78 0.008 . 1 . . . A 31 ILE HD11 . 19309 1 200 . 1 1 31 31 ILE HD12 H 1 0.78 0.008 . 1 . . . A 31 ILE HD12 . 19309 1 201 . 1 1 31 31 ILE HD13 H 1 0.78 0.008 . 1 . . . A 31 ILE HD13 . 19309 1 202 . 1 1 32 32 ILE H H 1 7.74 0.005 . 1 . . . A 32 ILE H . 19309 1 203 . 1 1 32 32 ILE HA H 1 4.19 0.001 . 1 . . . A 32 ILE HA . 19309 1 204 . 1 1 32 32 ILE HB H 1 1.69 0.005 . 1 . . . A 32 ILE HB . 19309 1 205 . 1 1 32 32 ILE HG12 H 1 1.41 0.008 . 1 . . . A 32 ILE HG12 . 19309 1 206 . 1 1 32 32 ILE HG13 H 1 1.06 0.008 . 1 . . . A 32 ILE HG13 . 19309 1 207 . 1 1 32 32 ILE HG21 H 1 0.80 0.004 . 1 . . . A 32 ILE HG21 . 19309 1 208 . 1 1 32 32 ILE HG22 H 1 0.80 0.004 . 1 . . . A 32 ILE HG22 . 19309 1 209 . 1 1 32 32 ILE HG23 H 1 0.80 0.004 . 1 . . . A 32 ILE HG23 . 19309 1 210 . 1 1 32 32 ILE HD11 H 1 0.80 0.008 . 1 . . . A 32 ILE HD11 . 19309 1 211 . 1 1 32 32 ILE HD12 H 1 0.80 0.008 . 1 . . . A 32 ILE HD12 . 19309 1 212 . 1 1 32 32 ILE HD13 H 1 0.80 0.008 . 1 . . . A 32 ILE HD13 . 19309 1 213 . 1 1 33 33 GLY H H 1 8.11 0.003 . 1 . . . A 33 GLY H . 19309 1 214 . 1 1 33 33 GLY HA2 H 1 3.68 0.006 . 1 . . . A 33 GLY HA2 . 19309 1 215 . 1 1 33 33 GLY HA3 H 1 3.79 0.004 . 1 . . . A 33 GLY HA3 . 19309 1 216 . 1 1 34 34 LEU H H 1 7.89 0.009 . 1 . . . A 34 LEU H . 19309 1 217 . 1 1 34 34 LEU HA H 1 4.36 0.001 . 1 . . . A 34 LEU HA . 19309 1 218 . 1 1 34 34 LEU HB2 H 1 1.54 0.004 . 1 . . . A 34 LEU HB2 . 19309 1 219 . 1 1 34 34 LEU HB3 H 1 1.54 0.004 . 1 . . . A 34 LEU HB3 . 19309 1 220 . 1 1 34 34 LEU HG H 1 1.39 0.004 . 1 . . . A 34 LEU HG . 19309 1 221 . 1 1 34 34 LEU HD11 H 1 0.81 0.001 . 1 . . . A 34 LEU HD11 . 19309 1 222 . 1 1 34 34 LEU HD12 H 1 0.81 0.001 . 1 . . . A 34 LEU HD12 . 19309 1 223 . 1 1 34 34 LEU HD13 H 1 0.81 0.001 . 1 . . . A 34 LEU HD13 . 19309 1 224 . 1 1 34 34 LEU HD21 H 1 0.81 0.001 . 1 . . . A 34 LEU HD21 . 19309 1 225 . 1 1 34 34 LEU HD22 H 1 0.81 0.001 . 1 . . . A 34 LEU HD22 . 19309 1 226 . 1 1 34 34 LEU HD23 H 1 0.81 0.001 . 1 . . . A 34 LEU HD23 . 19309 1 227 . 1 1 35 35 MET H H 1 8.18 0.005 . 1 . . . A 35 MET H . 19309 1 228 . 1 1 35 35 MET HA H 1 4.39 0.011 . 1 . . . A 35 MET HA . 19309 1 229 . 1 1 35 35 MET HB2 H 1 1.89 0.003 . 1 . . . A 35 MET HB2 . 19309 1 230 . 1 1 35 35 MET HB3 H 1 1.77 0.006 . 1 . . . A 35 MET HB3 . 19309 1 231 . 1 1 35 35 MET HG2 H 1 2.43 0.001 . 1 . . . A 35 MET HG2 . 19309 1 232 . 1 1 35 35 MET HG3 H 1 2.36 0.001 . 1 . . . A 35 MET HG3 . 19309 1 233 . 1 1 35 35 MET HE1 H 1 1.81 0.001 . 1 . . . A 35 MET HE1 . 19309 1 234 . 1 1 35 35 MET HE2 H 1 1.81 0.001 . 1 . . . A 35 MET HE2 . 19309 1 235 . 1 1 35 35 MET HE3 H 1 1.81 0.001 . 1 . . . A 35 MET HE3 . 19309 1 236 . 1 1 36 36 VAL H H 1 7.66 0.008 . 1 . . . A 36 VAL H . 19309 1 237 . 1 1 36 36 VAL HA H 1 4.18 0.004 . 1 . . . A 36 VAL HA . 19309 1 238 . 1 1 36 36 VAL HB H 1 1.94 0.005 . 1 . . . A 36 VAL HB . 19309 1 239 . 1 1 36 36 VAL HG11 H 1 0.81 0.008 . 1 . . . A 36 VAL HG11 . 19309 1 240 . 1 1 36 36 VAL HG12 H 1 0.81 0.008 . 1 . . . A 36 VAL HG12 . 19309 1 241 . 1 1 36 36 VAL HG13 H 1 0.81 0.008 . 1 . . . A 36 VAL HG13 . 19309 1 242 . 1 1 36 36 VAL HG21 H 1 0.81 0.008 . 1 . . . A 36 VAL HG21 . 19309 1 243 . 1 1 36 36 VAL HG22 H 1 0.81 0.008 . 1 . . . A 36 VAL HG22 . 19309 1 244 . 1 1 36 36 VAL HG23 H 1 0.81 0.008 . 1 . . . A 36 VAL HG23 . 19309 1 245 . 1 1 37 37 GLY H H 1 8.22 0.004 . 1 . . . A 37 GLY H . 19309 1 246 . 1 1 37 37 GLY HA2 H 1 3.76 0.005 . 1 . . . A 37 GLY HA2 . 19309 1 247 . 1 1 37 37 GLY HA3 H 1 3.76 0.005 . 1 . . . A 37 GLY HA3 . 19309 1 248 . 1 1 38 38 GLY H H 1 8.05 0.006 . 1 . . . A 38 GLY H . 19309 1 249 . 1 1 38 38 GLY HA2 H 1 3.77 0.010 . 1 . . . A 38 GLY HA2 . 19309 1 250 . 1 1 38 38 GLY HA3 H 1 3.83 0.010 . 1 . . . A 38 GLY HA3 . 19309 1 251 . 1 1 39 39 VAL H H 1 7.81 0.006 . 1 . . . A 39 VAL H . 19309 1 252 . 1 1 39 39 VAL HA H 1 4.35 0.001 . 1 . . . A 39 VAL HA . 19309 1 253 . 1 1 39 39 VAL HB H 1 1.94 0.001 . 1 . . . A 39 VAL HB . 19309 1 254 . 1 1 39 39 VAL HG11 H 1 0.82 0.005 . 1 . . . A 39 VAL HG11 . 19309 1 255 . 1 1 39 39 VAL HG12 H 1 0.82 0.005 . 1 . . . A 39 VAL HG12 . 19309 1 256 . 1 1 39 39 VAL HG13 H 1 0.82 0.005 . 1 . . . A 39 VAL HG13 . 19309 1 257 . 1 1 39 39 VAL HG21 H 1 0.82 0.005 . 1 . . . A 39 VAL HG21 . 19309 1 258 . 1 1 39 39 VAL HG22 H 1 0.82 0.005 . 1 . . . A 39 VAL HG22 . 19309 1 259 . 1 1 39 39 VAL HG23 H 1 0.82 0.005 . 1 . . . A 39 VAL HG23 . 19309 1 260 . 1 1 40 40 VAL H H 1 8.04 0.001 . 1 . . . A 40 VAL H . 19309 1 261 . 1 1 40 40 VAL HA H 1 4.11 0.002 . 1 . . . A 40 VAL HA . 19309 1 262 . 1 1 40 40 VAL HB H 1 2.02 0.001 . 1 . . . A 40 VAL HB . 19309 1 263 . 1 1 40 40 VAL HG11 H 1 0.87 0.001 . 1 . . . A 40 VAL HG11 . 19309 1 264 . 1 1 40 40 VAL HG12 H 1 0.87 0.001 . 1 . . . A 40 VAL HG12 . 19309 1 265 . 1 1 40 40 VAL HG13 H 1 0.87 0.001 . 1 . . . A 40 VAL HG13 . 19309 1 266 . 1 1 40 40 VAL HG21 H 1 0.87 0.001 . 1 . . . A 40 VAL HG21 . 19309 1 267 . 1 1 40 40 VAL HG22 H 1 0.87 0.001 . 1 . . . A 40 VAL HG22 . 19309 1 268 . 1 1 40 40 VAL HG23 H 1 0.87 0.001 . 1 . . . A 40 VAL HG23 . 19309 1 stop_ save_