################################### # 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 18052 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Standard _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 $1 isotropic 18052 1 2 '2D 1H-1H NOESY' 1 $1 isotropic 18052 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 PCA H H 1 7.759 0.03 . 1 . . . . 139 . . . 18052 1 2 . 1 1 1 1 PCA HA H 1 4.224 0.003 . 1 . . . . 140 . . . 18052 1 3 . 1 1 1 1 PCA HB2 H 1 2.147 0.03 . 2 . . . . 155 . . . 18052 1 4 . 1 1 1 1 PCA HB3 H 1 1.712 0.03 . 2 . . . . 154 . . . 18052 1 5 . 1 1 1 1 PCA HG2 H 1 2.429 0.004 . 2 . . . . 157 . . . 18052 1 6 . 1 1 1 1 PCA HG3 H 1 2.276 0.003 . 2 . . . . 156 . . . 18052 1 7 . 1 1 2 2 PHE H H 1 7.947 0.003 . 1 . . . . 2 PHE H . 18052 1 8 . 1 1 2 2 PHE HA H 1 4.713 0.015 . 1 . . . . 2 PHE HA . 18052 1 9 . 1 1 2 2 PHE HB2 H 1 2.978 0.002 . 2 . . . . 2 PHE HB2 . 18052 1 10 . 1 1 2 2 PHE HB3 H 1 3.229 0.004 . 2 . . . . 2 PHE HB3 . 18052 1 11 . 1 1 2 2 PHE HD1 H 1 7.254 0.001 . 3 . . . . 2 PHE HD1 . 18052 1 12 . 1 1 2 2 PHE HD2 H 1 7.254 0.001 . 3 . . . . 2 PHE HD2 . 18052 1 13 . 1 1 2 2 PHE HE1 H 1 7.334 0.003 . 3 . . . . 2 PHE HE1 . 18052 1 14 . 1 1 2 2 PHE HE2 H 1 7.334 0.003 . 3 . . . . 2 PHE HE2 . 18052 1 15 . 1 1 3 3 ARG H H 1 8.281 0.003 . 1 . . . . 3 ARG H . 18052 1 16 . 1 1 3 3 ARG HA H 1 4.310 0.007 . 1 . . . . 3 ARG HA . 18052 1 17 . 1 1 3 3 ARG HB2 H 1 1.762 0.005 . 2 . . . . 3 ARG HB2 . 18052 1 18 . 1 1 3 3 ARG HB3 H 1 1.843 0.004 . 2 . . . . 3 ARG HB3 . 18052 1 19 . 1 1 3 3 ARG HG2 H 1 1.577 0.003 . 2 . . . . 3 ARG HG2 . 18052 1 20 . 1 1 3 3 ARG HG3 H 1 1.626 0.002 . 2 . . . . 3 ARG HG3 . 18052 1 21 . 1 1 3 3 ARG HD3 H 1 3.200 0.002 . 1 . . . . 3 ARG HD3 . 18052 1 22 . 1 1 3 3 ARG HE H 1 7.340 0.002 . 1 . . . . 3 ARG HE . 18052 1 23 . 1 1 4 4 HIS H H 1 8.568 0.007 . 1 . . . . 4 HIS H . 18052 1 24 . 1 1 4 4 HIS HA H 1 4.724 0.013 . 1 . . . . 4 HIS HA . 18052 1 25 . 1 1 4 4 HIS HB2 H 1 3.204 0.004 . 2 . . . . 4 HIS HB2 . 18052 1 26 . 1 1 4 4 HIS HB3 H 1 3.299 0.002 . 2 . . . . 4 HIS HB3 . 18052 1 27 . 1 1 4 4 HIS HD2 H 1 7.258 0.03 . 1 . . . . 4 HIS HD2 . 18052 1 28 . 1 1 4 4 HIS HE1 H 1 8.569 0.03 . 1 . . . . 4 HIS HE1 . 18052 1 29 . 1 1 5 5 ASP H H 1 8.453 0.001 . 1 . . . . 5 ASP H . 18052 1 30 . 1 1 5 5 ASP HA H 1 4.814 0.005 . 1 . . . . 5 ASP HA . 18052 1 31 . 1 1 5 5 ASP HB2 H 1 2.917 0.002 . 1 . . . . 5 ASP HB2 . 18052 1 32 . 1 1 6 6 SER H H 1 8.452 0.004 . 1 . . . . 6 SER H . 18052 1 33 . 1 1 6 6 SER HA H 1 4.444 0.001 . 1 . . . . 6 SER HA . 18052 1 34 . 1 1 6 6 SER HB2 H 1 4.014 0.008 . 2 . . . . 6 SER HB2 . 18052 1 35 . 1 1 6 6 SER HB3 H 1 4.025 0.002 . 2 . . . . 6 SER HB3 . 18052 1 36 . 1 1 7 7 GLY H H 1 8.577 0.003 . 1 . . . . 7 GLY H . 18052 1 37 . 1 1 7 7 GLY HA2 H 1 3.932 0.003 . 1 . . . . 7 GLY HA2 . 18052 1 38 . 1 1 8 8 TYR H H 1 8.066 0.002 . 1 . . . . 8 TYR H . 18052 1 39 . 1 1 8 8 TYR HA H 1 4.352 0.002 . 1 . . . . 8 TYR HA . 18052 1 40 . 1 1 8 8 TYR HB2 H 1 3.166 0.003 . 2 . . . . 8 TYR HB2 . 18052 1 41 . 1 1 8 8 TYR HB3 H 1 3.101 0.005 . 2 . . . . 8 TYR HB3 . 18052 1 42 . 1 1 8 8 TYR HD1 H 1 7.089 0.001 . 3 . . . . 8 TYR HD1 . 18052 1 43 . 1 1 8 8 TYR HD2 H 1 7.089 0.001 . 3 . . . . 8 TYR HD2 . 18052 1 44 . 1 1 8 8 TYR HE1 H 1 6.767 0.002 . 3 . . . . 8 TYR HE1 . 18052 1 45 . 1 1 8 8 TYR HE2 H 1 6.767 0.002 . 3 . . . . 8 TYR HE2 . 18052 1 46 . 1 1 9 9 GLU H H 1 8.308 0.003 . 1 . . . . 9 GLU H . 18052 1 47 . 1 1 9 9 GLU HA H 1 4.150 0.001 . 1 . . . . 9 GLU HA . 18052 1 48 . 1 1 9 9 GLU HB2 H 1 2.206 0.004 . 1 . . . . 9 GLU HB2 . 18052 1 49 . 1 1 9 9 GLU HG3 H 1 2.537 0.004 . 1 . . . . 9 GLU HG3 . 18052 1 50 . 1 1 10 10 VAL H H 1 8.127 0.004 . 1 . . . . 10 VAL H . 18052 1 51 . 1 1 10 10 VAL HA H 1 3.837 0.001 . 1 . . . . 10 VAL HA . 18052 1 52 . 1 1 10 10 VAL HB H 1 2.083 0.002 . 1 . . . . 10 VAL HB . 18052 1 53 . 1 1 10 10 VAL HG11 H 1 1.031 0.002 . 2 . . . . 10 VAL HG11 . 18052 1 54 . 1 1 10 10 VAL HG12 H 1 1.031 0.002 . 2 . . . . 10 VAL HG12 . 18052 1 55 . 1 1 10 10 VAL HG13 H 1 1.031 0.002 . 2 . . . . 10 VAL HG13 . 18052 1 56 . 1 1 10 10 VAL HG21 H 1 0.907 0.006 . 2 . . . . 10 VAL HG21 . 18052 1 57 . 1 1 10 10 VAL HG22 H 1 0.907 0.006 . 2 . . . . 10 VAL HG22 . 18052 1 58 . 1 1 10 10 VAL HG23 H 1 0.907 0.006 . 2 . . . . 10 VAL HG23 . 18052 1 59 . 1 1 11 11 HIS H H 1 8.109 0.003 . 1 . . . . 11 HIS H . 18052 1 60 . 1 1 11 11 HIS HA H 1 4.427 0.002 . 1 . . . . 11 HIS HA . 18052 1 61 . 1 1 11 11 HIS HB2 H 1 3.270 0.003 . 1 . . . . 11 HIS HB2 . 18052 1 62 . 1 1 11 11 HIS HD2 H 1 7.274 0.001 . 1 . . . . 11 HIS HD2 . 18052 1 63 . 1 1 11 11 HIS HE1 H 1 8.598 0.001 . 1 . . . . 11 HIS HE1 . 18052 1 64 . 1 1 12 12 HIS H H 1 8.485 0.002 . 1 . . . . 12 HIS H . 18052 1 65 . 1 1 12 12 HIS HA H 1 4.323 0.005 . 1 . . . . 12 HIS HA . 18052 1 66 . 1 1 12 12 HIS HB2 H 1 3.298 0.005 . 2 . . . . 12 HIS HB2 . 18052 1 67 . 1 1 12 12 HIS HB3 H 1 3.074 0.001 . 2 . . . . 12 HIS HB3 . 18052 1 68 . 1 1 12 12 HIS HD2 H 1 7.221 0.001 . 1 . . . . 12 HIS HD2 . 18052 1 69 . 1 1 12 12 HIS HE1 H 1 8.465 0.001 . 1 . . . . 12 HIS HE1 . 18052 1 70 . 1 1 13 13 GLN H H 1 8.346 0.002 . 1 . . . . 13 GLN H . 18052 1 71 . 1 1 13 13 GLN HA H 1 4.012 0.002 . 1 . . . . 13 GLN HA . 18052 1 72 . 1 1 13 13 GLN HB2 H 1 2.211 0.003 . 2 . . . . 13 GLN HB2 . 18052 1 73 . 1 1 13 13 GLN HB3 H 1 2.141 0.007 . 2 . . . . 13 GLN HB3 . 18052 1 74 . 1 1 13 13 GLN HG3 H 1 2.374 0.002 . 1 . . . . 13 GLN HG3 . 18052 1 75 . 1 1 13 13 GLN HE21 H 1 6.626 0.002 . 1 . . . . 13 GLN HE21 . 18052 1 76 . 1 1 13 13 GLN HE22 H 1 6.871 0.001 . 1 . . . . 13 GLN HE22 . 18052 1 77 . 1 1 14 14 LYS H H 1 8.079 0.002 . 1 . . . . 14 LYS H . 18052 1 78 . 1 1 14 14 LYS HA H 1 4.127 0.002 . 1 . . . . 14 LYS HA . 18052 1 79 . 1 1 15 15 LEU H H 1 7.687 0.003 . 1 . . . . 15 LEU H . 18052 1 80 . 1 1 15 15 LEU HA H 1 4.249 0.006 . 1 . . . . 15 LEU HA . 18052 1 81 . 1 1 15 15 LEU HB3 H 1 1.754 0.002 . 1 . . . . 15 LEU HB3 . 18052 1 82 . 1 1 15 15 LEU HG H 1 1.691 0.002 . 1 . . . . 15 LEU HG . 18052 1 83 . 1 1 15 15 LEU HD11 H 1 0.887 0.002 . 2 . . . . 15 LEU HD11 . 18052 1 84 . 1 1 15 15 LEU HD12 H 1 0.887 0.002 . 2 . . . . 15 LEU HD12 . 18052 1 85 . 1 1 15 15 LEU HD13 H 1 0.887 0.002 . 2 . . . . 15 LEU HD13 . 18052 1 86 . 1 1 15 15 LEU HD21 H 1 0.924 0.002 . 2 . . . . 15 LEU HD21 . 18052 1 87 . 1 1 15 15 LEU HD22 H 1 0.924 0.002 . 2 . . . . 15 LEU HD22 . 18052 1 88 . 1 1 15 15 LEU HD23 H 1 0.924 0.002 . 2 . . . . 15 LEU HD23 . 18052 1 89 . 1 1 16 16 VAL H H 1 7.777 0.004 . 1 . . . . 16 VAL H . 18052 1 90 . 1 1 16 16 VAL HA H 1 3.672 0.002 . 1 . . . . 16 VAL HA . 18052 1 91 . 1 1 16 16 VAL HB H 1 2.042 0.005 . 1 . . . . 16 VAL HB . 18052 1 92 . 1 1 16 16 VAL HG21 H 1 0.862 0.003 . 1 . . . . 16 VAL HG21 . 18052 1 93 . 1 1 16 16 VAL HG22 H 1 0.862 0.003 . 1 . . . . 16 VAL HG22 . 18052 1 94 . 1 1 16 16 VAL HG23 H 1 0.862 0.003 . 1 . . . . 16 VAL HG23 . 18052 1 95 . 1 1 17 17 PHE H H 1 8.019 0.002 . 1 . . . . 17 PHE H . 18052 1 96 . 1 1 17 17 PHE HA H 1 4.398 0.002 . 1 . . . . 17 PHE HA . 18052 1 97 . 1 1 17 17 PHE HB2 H 1 3.200 0.004 . 1 . . . . 17 PHE HB2 . 18052 1 98 . 1 1 17 17 PHE HD1 H 1 7.178 0.002 . 3 . . . . 17 PHE HD1 . 18052 1 99 . 1 1 17 17 PHE HD2 H 1 7.178 0.002 . 3 . . . . 17 PHE HD2 . 18052 1 100 . 1 1 17 17 PHE HE1 H 1 7.285 0.002 . 3 . . . . 17 PHE HE1 . 18052 1 101 . 1 1 17 17 PHE HE2 H 1 7.285 0.002 . 3 . . . . 17 PHE HE2 . 18052 1 102 . 1 1 18 18 PHE H H 1 8.329 0.004 . 1 . . . . 18 PHE H . 18052 1 103 . 1 1 18 18 PHE HA H 1 4.309 0.004 . 1 . . . . 18 PHE HA . 18052 1 104 . 1 1 18 18 PHE HB2 H 1 3.285 0.011 . 1 . . . . 18 PHE HB2 . 18052 1 105 . 1 1 18 18 PHE HD1 H 1 7.273 0.002 . 3 . . . . 18 PHE HD1 . 18052 1 106 . 1 1 18 18 PHE HD2 H 1 7.273 0.002 . 3 . . . . 18 PHE HD2 . 18052 1 107 . 1 1 18 18 PHE HE1 H 1 7.297 0.003 . 3 . . . . 18 PHE HE1 . 18052 1 108 . 1 1 18 18 PHE HE2 H 1 7.297 0.003 . 3 . . . . 18 PHE HE2 . 18052 1 109 . 1 1 18 18 PHE HZ H 1 7.244 0.03 . 1 . . . . 18 PHE HZ . 18052 1 110 . 1 1 19 19 ALA H H 1 8.582 0.005 . 1 . . . . 19 ALA H . 18052 1 111 . 1 1 19 19 ALA HA H 1 3.998 0.005 . 1 . . . . 19 ALA HA . 18052 1 112 . 1 1 19 19 ALA HB1 H 1 1.533 0.002 . 1 . . . . 19 ALA HB1 . 18052 1 113 . 1 1 19 19 ALA HB2 H 1 1.533 0.002 . 1 . . . . 19 ALA HB2 . 18052 1 114 . 1 1 19 19 ALA HB3 H 1 1.533 0.002 . 1 . . . . 19 ALA HB3 . 18052 1 115 . 1 1 20 20 GLU H H 1 8.326 0.003 . 1 . . . . 20 GLU H . 18052 1 116 . 1 1 20 20 GLU HA H 1 4.169 0.002 . 1 . . . . 20 GLU HA . 18052 1 117 . 1 1 20 20 GLU HB2 H 1 2.185 0.004 . 2 . . . . 20 GLU HB2 . 18052 1 118 . 1 1 20 20 GLU HB3 H 1 2.118 0.006 . 2 . . . . 20 GLU HB3 . 18052 1 119 . 1 1 20 20 GLU HG2 H 1 2.645 0.001 . 2 . . . . 20 GLU HG2 . 18052 1 120 . 1 1 20 20 GLU HG3 H 1 2.491 0.001 . 2 . . . . 20 GLU HG3 . 18052 1 121 . 1 1 21 21 ASP H H 1 8.210 0.003 . 1 . . . . 21 ASP H . 18052 1 122 . 1 1 21 21 ASP HA H 1 4.572 0.001 . 1 . . . . 21 ASP HA . 18052 1 123 . 1 1 21 21 ASP HB2 H 1 2.779 0.005 . 2 . . . . 21 ASP HB2 . 18052 1 124 . 1 1 21 21 ASP HB3 H 1 2.809 0.002 . 2 . . . . 21 ASP HB3 . 18052 1 125 . 1 1 22 22 VAL H H 1 8.091 0.005 . 1 . . . . 22 VAL H . 18052 1 126 . 1 1 22 22 VAL HA H 1 3.822 0.002 . 1 . . . . 22 VAL HA . 18052 1 127 . 1 1 22 22 VAL HB H 1 1.949 0.002 . 1 . . . . 22 VAL HB . 18052 1 128 . 1 1 22 22 VAL HG11 H 1 0.832 0.002 . 2 . . . . 22 VAL HG11 . 18052 1 129 . 1 1 22 22 VAL HG12 H 1 0.832 0.002 . 2 . . . . 22 VAL HG12 . 18052 1 130 . 1 1 22 22 VAL HG13 H 1 0.832 0.002 . 2 . . . . 22 VAL HG13 . 18052 1 131 . 1 1 22 22 VAL HG21 H 1 0.753 0.003 . 2 . . . . 22 VAL HG21 . 18052 1 132 . 1 1 22 22 VAL HG22 H 1 0.753 0.003 . 2 . . . . 22 VAL HG22 . 18052 1 133 . 1 1 22 22 VAL HG23 H 1 0.753 0.003 . 2 . . . . 22 VAL HG23 . 18052 1 134 . 1 1 23 23 GLY H H 1 8.165 0.002 . 1 . . . . 23 GLY H . 18052 1 135 . 1 1 23 23 GLY HA2 H 1 3.896 0.002 . 1 . . . . 23 GLY HA2 . 18052 1 136 . 1 1 24 24 SER H H 1 7.913 0.003 . 1 . . . . 24 SER H . 18052 1 137 . 1 1 24 24 SER HA H 1 4.447 0.001 . 1 . . . . 24 SER HA . 18052 1 138 . 1 1 24 24 SER HB2 H 1 4.022 0.002 . 2 . . . . 24 SER HB2 . 18052 1 139 . 1 1 24 24 SER HB3 H 1 3.974 0.005 . 2 . . . . 24 SER HB3 . 18052 1 140 . 1 1 25 25 ASN H H 1 8.094 0.003 . 1 . . . . 25 ASN H . 18052 1 141 . 1 1 25 25 ASN HA H 1 4.821 0.03 . 1 . . . . 25 ASN HA . 18052 1 142 . 1 1 25 25 ASN HB2 H 1 2.960 0.002 . 2 . . . . 25 ASN HB2 . 18052 1 143 . 1 1 25 25 ASN HB3 H 1 2.848 0.003 . 2 . . . . 25 ASN HB3 . 18052 1 144 . 1 1 25 25 ASN HD21 H 1 6.729 0.002 . 1 . . . . 25 ASN HD21 . 18052 1 145 . 1 1 25 25 ASN HD22 H 1 7.485 0.003 . 1 . . . . 25 ASN HD22 . 18052 1 146 . 1 1 26 26 LYS H H 1 8.251 0.003 . 1 . . . . 26 LYS H . 18052 1 147 . 1 1 26 26 LYS HA H 1 4.141 0.002 . 1 . . . . 26 LYS HA . 18052 1 148 . 1 1 26 26 LYS HB2 H 1 1.899 0.004 . 1 . . . . 26 LYS HB2 . 18052 1 149 . 1 1 26 26 LYS HG2 H 1 1.485 0.005 . 2 . . . . 26 LYS HG2 . 18052 1 150 . 1 1 26 26 LYS HG3 H 1 1.562 0.003 . 2 . . . . 26 LYS HG3 . 18052 1 151 . 1 1 27 27 GLY H H 1 8.361 0.003 . 1 . . . . 27 GLY H . 18052 1 152 . 1 1 27 27 GLY HA2 H 1 3.901 0.003 . 2 . . . . 27 GLY HA2 . 18052 1 153 . 1 1 27 27 GLY HA3 H 1 3.871 0.004 . 2 . . . . 27 GLY HA3 . 18052 1 154 . 1 1 28 28 ALA H H 1 7.801 0.002 . 1 . . . . 28 ALA H . 18052 1 155 . 1 1 28 28 ALA HA H 1 4.241 0.002 . 1 . . . . 28 ALA HA . 18052 1 156 . 1 1 28 28 ALA HB1 H 1 1.507 0.002 . 1 . . . . 28 ALA HB1 . 18052 1 157 . 1 1 28 28 ALA HB2 H 1 1.507 0.002 . 1 . . . . 28 ALA HB2 . 18052 1 158 . 1 1 28 28 ALA HB3 H 1 1.507 0.002 . 1 . . . . 28 ALA HB3 . 18052 1 159 . 1 1 29 29 ILE H H 1 7.676 0.003 . 1 . . . . 29 ILE H . 18052 1 160 . 1 1 29 29 ILE HA H 1 3.926 0.003 . 1 . . . . 29 ILE HA . 18052 1 161 . 1 1 29 29 ILE HB H 1 2.019 0.002 . 1 . . . . 29 ILE HB . 18052 1 162 . 1 1 29 29 ILE HG12 H 1 0.979 0.002 . 2 . . . . 29 ILE HG12 . 18052 1 163 . 1 1 29 29 ILE HG13 H 1 1.284 0.03 . 2 . . . . 29 ILE HG13 . 18052 1 164 . 1 1 29 29 ILE HD11 H 1 0.902 0.002 . 1 . . . . 29 ILE HD11 . 18052 1 165 . 1 1 29 29 ILE HD12 H 1 0.902 0.002 . 1 . . . . 29 ILE HD12 . 18052 1 166 . 1 1 29 29 ILE HD13 H 1 0.902 0.002 . 1 . . . . 29 ILE HD13 . 18052 1 167 . 1 1 30 30 ILE H H 1 7.897 0.005 . 1 . . . . 30 ILE H . 18052 1 168 . 1 1 30 30 ILE HA H 1 3.868 0.003 . 1 . . . . 30 ILE HA . 18052 1 169 . 1 1 30 30 ILE HB H 1 1.947 0.003 . 1 . . . . 30 ILE HB . 18052 1 170 . 1 1 30 30 ILE HG12 H 1 1.265 0.002 . 2 . . . . 30 ILE HG12 . 18052 1 171 . 1 1 30 30 ILE HG13 H 1 0.941 0.002 . 2 . . . . 30 ILE HG13 . 18052 1 172 . 1 1 31 31 GLY H H 1 7.991 0.001 . 1 . . . . 31 GLY H . 18052 1 173 . 1 1 31 31 GLY HA2 H 1 3.823 0.003 . 2 . . . . 31 GLY HA2 . 18052 1 174 . 1 1 31 31 GLY HA3 H 1 3.859 0.004 . 2 . . . . 31 GLY HA3 . 18052 1 175 . 1 1 32 32 LEU H H 1 7.847 0.003 . 1 . . . . 32 LEU H . 18052 1 176 . 1 1 32 32 LEU HA H 1 4.227 0.002 . 1 . . . . 32 LEU HA . 18052 1 177 . 1 1 32 32 LEU HB2 H 1 1.980 0.002 . 2 . . . . 32 LEU HB2 . 18052 1 178 . 1 1 32 32 LEU HB3 H 1 1.830 0.003 . 2 . . . . 32 LEU HB3 . 18052 1 179 . 1 1 32 32 LEU HG H 1 1.594 0.002 . 1 . . . . 32 LEU HG . 18052 1 180 . 1 1 32 32 LEU HD11 H 1 0.910 0.03 . 2 . . . . 32 LEU HD11 . 18052 1 181 . 1 1 32 32 LEU HD12 H 1 0.910 0.03 . 2 . . . . 32 LEU HD12 . 18052 1 182 . 1 1 32 32 LEU HD13 H 1 0.910 0.03 . 2 . . . . 32 LEU HD13 . 18052 1 183 . 1 1 32 32 LEU HD21 H 1 0.881 0.002 . 2 . . . . 32 LEU HD21 . 18052 1 184 . 1 1 32 32 LEU HD22 H 1 0.881 0.002 . 2 . . . . 32 LEU HD22 . 18052 1 185 . 1 1 32 32 LEU HD23 H 1 0.881 0.002 . 2 . . . . 32 LEU HD23 . 18052 1 186 . 1 1 33 33 MET H H 1 8.168 0.004 . 1 . . . . 33 MET H . 18052 1 187 . 1 1 33 33 MET HA H 1 4.342 0.004 . 1 . . . . 33 MET HA . 18052 1 188 . 1 1 33 33 MET HB2 H 1 2.168 0.002 . 2 . . . . 33 MET HB2 . 18052 1 189 . 1 1 33 33 MET HB3 H 1 2.310 0.003 . 2 . . . . 33 MET HB3 . 18052 1 190 . 1 1 33 33 MET HG2 H 1 2.743 0.003 . 2 . . . . 33 MET HG2 . 18052 1 191 . 1 1 33 33 MET HG3 H 1 2.545 0.003 . 2 . . . . 33 MET HG3 . 18052 1 192 . 1 1 34 34 VAL H H 1 8.455 0.005 . 1 . . . . 34 VAL H . 18052 1 193 . 1 1 34 34 VAL HA H 1 4.028 0.002 . 1 . . . . 34 VAL HA . 18052 1 194 . 1 1 34 34 VAL HB H 1 2.238 0.002 . 1 . . . . 34 VAL HB . 18052 1 195 . 1 1 34 34 VAL HG11 H 1 1.050 0.003 . 2 . . . . 34 VAL HG11 . 18052 1 196 . 1 1 34 34 VAL HG12 H 1 1.050 0.003 . 2 . . . . 34 VAL HG12 . 18052 1 197 . 1 1 34 34 VAL HG13 H 1 1.050 0.003 . 2 . . . . 34 VAL HG13 . 18052 1 198 . 1 1 34 34 VAL HG21 H 1 0.982 0.002 . 2 . . . . 34 VAL HG21 . 18052 1 199 . 1 1 34 34 VAL HG22 H 1 0.982 0.002 . 2 . . . . 34 VAL HG22 . 18052 1 200 . 1 1 34 34 VAL HG23 H 1 0.982 0.002 . 2 . . . . 34 VAL HG23 . 18052 1 201 . 1 1 35 35 GLY H H 1 8.035 0.003 . 1 . . . . 35 GLY H . 18052 1 202 . 1 1 35 35 GLY HA2 H 1 3.919 0.006 . 2 . . . . 35 GLY HA2 . 18052 1 203 . 1 1 35 35 GLY HA3 H 1 4.082 0.003 . 2 . . . . 35 GLY HA3 . 18052 1 204 . 1 1 36 36 GLY H H 1 7.945 0.002 . 1 . . . . 36 GLY H . 18052 1 205 . 1 1 36 36 GLY HA2 H 1 4.010 0.002 . 1 . . . . 36 GLY HA2 . 18052 1 206 . 1 1 37 37 VAL H H 1 7.883 0.003 . 1 . . . . 37 VAL H . 18052 1 207 . 1 1 37 37 VAL HA H 1 4.118 0.001 . 1 . . . . 37 VAL HA . 18052 1 208 . 1 1 37 37 VAL HB H 1 2.135 0.003 . 1 . . . . 37 VAL HB . 18052 1 209 . 1 1 37 37 VAL HG21 H 1 0.981 0.002 . 1 . . . . 37 VAL HG21 . 18052 1 210 . 1 1 37 37 VAL HG22 H 1 0.981 0.002 . 1 . . . . 37 VAL HG22 . 18052 1 211 . 1 1 37 37 VAL HG23 H 1 0.981 0.002 . 1 . . . . 37 VAL HG23 . 18052 1 212 . 1 1 38 38 VAL H H 1 7.566 0.003 . 1 . . . . 38 VAL H . 18052 1 213 . 1 1 38 38 VAL HA H 1 4.319 0.004 . 1 . . . . 38 VAL HA . 18052 1 214 . 1 1 38 38 VAL HB H 1 2.155 0.007 . 1 . . . . 38 VAL HB . 18052 1 215 . 1 1 38 38 VAL HG21 H 1 0.947 0.006 . 1 . . . . 38 VAL HG21 . 18052 1 216 . 1 1 38 38 VAL HG22 H 1 0.947 0.006 . 1 . . . . 38 VAL HG22 . 18052 1 217 . 1 1 38 38 VAL HG23 H 1 0.947 0.006 . 1 . . . . 38 VAL HG23 . 18052 1 stop_ save_