################################### # 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 6216 _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 $sample_1 . 6216 1 . . 2 $sample_2 . 6216 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 2 2 SER H H 1 8.851 0.000 . 1 . . . . . . . . 6216 1 2 . 1 1 2 2 SER HA H 1 4.554 0.001 . 1 . . . . . . . . 6216 1 3 . 1 1 2 2 SER HB2 H 1 3.906 0.002 . 1 . . . . . . . . 6216 1 4 . 1 1 2 2 SER HB3 H 1 3.853 0.001 . 1 . . . . . . . . 6216 1 5 . 1 1 3 3 SER H H 1 8.717 0.001 . 1 . . . . . . . . 6216 1 6 . 1 1 3 3 SER HA H 1 4.497 0.002 . 1 . . . . . . . . 6216 1 7 . 1 1 3 3 SER HB2 H 1 3.909 0.003 . 1 . . . . . . . . 6216 1 8 . 1 1 3 3 SER HB3 H 1 3.880 0.001 . 1 . . . . . . . . 6216 1 9 . 1 1 4 4 GLY H H 1 8.574 0.001 . 1 . . . . . . . . 6216 1 10 . 1 1 4 4 GLY HA2 H 1 3.932 0.000 . 2 . . . . . . . . 6216 1 11 . 1 1 5 5 LYS H H 1 8.314 0.001 . 1 . . . . . . . . 6216 1 12 . 1 1 5 5 LYS HA H 1 4.209 0.003 . 1 . . . . . . . . 6216 1 13 . 1 1 5 5 LYS HB2 H 1 1.737 0.000 . 1 . . . . . . . . 6216 1 14 . 1 1 5 5 LYS HB3 H 1 1.665 0.001 . 1 . . . . . . . . 6216 1 15 . 1 1 5 5 LYS HG2 H 1 1.360 0.000 . 2 . . . . . . . . 6216 1 16 . 1 1 5 5 LYS HD2 H 1 1.446 0.000 . 2 . . . . . . . . 6216 1 17 . 1 1 6 6 ARG H H 1 8.438 0.001 . 1 . . . . . . . . 6216 1 18 . 1 1 6 6 ARG HA H 1 4.531 0.003 . 1 . . . . . . . . 6216 1 19 . 1 1 6 6 ARG HB2 H 1 1.520 0.002 . 1 . . . . . . . . 6216 1 20 . 1 1 6 6 ARG HB3 H 1 1.460 0.004 . 1 . . . . . . . . 6216 1 21 . 1 1 6 6 ARG HG2 H 1 1.335 0.003 . 1 . . . . . . . . 6216 1 22 . 1 1 6 6 ARG HG3 H 1 1.286 0.001 . 1 . . . . . . . . 6216 1 23 . 1 1 6 6 ARG HD2 H 1 2.992 0.005 . 2 . . . . . . . . 6216 1 24 . 1 1 6 6 ARG HE H 1 7.091 0.001 . 1 . . . . . . . . 6216 1 25 . 1 1 7 7 PRO HA H 1 4.268 0.002 . 1 . . . . . . . . 6216 1 26 . 1 1 7 7 PRO HB2 H 1 1.970 0.003 . 1 . . . . . . . . 6216 1 27 . 1 1 7 7 PRO HB3 H 1 1.120 0.001 . 1 . . . . . . . . 6216 1 28 . 1 1 7 7 PRO HG2 H 1 1.711 0.003 . 1 . . . . . . . . 6216 1 29 . 1 1 7 7 PRO HG3 H 1 1.532 0.003 . 1 . . . . . . . . 6216 1 30 . 1 1 7 7 PRO HD2 H 1 3.615 0.003 . 1 . . . . . . . . 6216 1 31 . 1 1 7 7 PRO HD3 H 1 3.566 0.007 . 1 . . . . . . . . 6216 1 32 . 1 1 8 8 PHE H H 1 7.901 0.002 . 1 . . . . . . . . 6216 1 33 . 1 1 8 8 PHE HA H 1 4.664 0.004 . 1 . . . . . . . . 6216 1 34 . 1 1 8 8 PHE HB2 H 1 3.021 0.001 . 1 . . . . . . . . 6216 1 35 . 1 1 8 8 PHE HB3 H 1 2.737 0.007 . 1 . . . . . . . . 6216 1 36 . 1 1 8 8 PHE HZ H 1 7.389 0.000 . 1 . . . . . . . . 6216 1 37 . 1 1 8 8 PHE HD1 H 1 7.145 0.002 . 3 . . . . . . . . 6216 1 38 . 1 1 8 8 PHE HE1 H 1 7.419 0.003 . 3 . . . . . . . . 6216 1 39 . 1 1 9 9 VAL H H 1 8.644 0.001 . 1 . . . . . . . . 6216 1 40 . 1 1 9 9 VAL HA H 1 4.618 0.002 . 1 . . . . . . . . 6216 1 41 . 1 1 9 9 VAL HB H 1 1.854 0.002 . 1 . . . . . . . . 6216 1 42 . 1 1 9 9 VAL HG11 H 1 0.819 0.003 . 1 . . . . . . . . 6216 1 43 . 1 1 9 9 VAL HG12 H 1 0.819 0.003 . 1 . . . . . . . . 6216 1 44 . 1 1 9 9 VAL HG13 H 1 0.819 0.003 . 1 . . . . . . . . 6216 1 45 . 1 1 9 9 VAL HG21 H 1 0.758 0.002 . 1 . . . . . . . . 6216 1 46 . 1 1 9 9 VAL HG22 H 1 0.758 0.002 . 1 . . . . . . . . 6216 1 47 . 1 1 9 9 VAL HG23 H 1 0.758 0.002 . 1 . . . . . . . . 6216 1 48 . 1 1 10 10 CYS H H 1 9.404 0.001 . 1 . . . . . . . . 6216 1 49 . 1 1 10 10 CYS HA H 1 4.356 0.003 . 1 . . . . . . . . 6216 1 50 . 1 1 10 10 CYS HB2 H 1 3.424 0.002 . 1 . . . . . . . . 6216 1 51 . 1 1 10 10 CYS HB3 H 1 3.041 0.002 . 1 . . . . . . . . 6216 1 52 . 1 1 11 11 ARG H H 1 9.068 0.001 . 1 . . . . . . . . 6216 1 53 . 1 1 11 11 ARG HA H 1 4.209 0.003 . 1 . . . . . . . . 6216 1 54 . 1 1 11 11 ARG HB2 H 1 1.942 0.002 . 2 . . . . . . . . 6216 1 55 . 1 1 11 11 ARG HG2 H 1 1.756 0.004 . 1 . . . . . . . . 6216 1 56 . 1 1 11 11 ARG HG3 H 1 1.653 0.003 . 1 . . . . . . . . 6216 1 57 . 1 1 11 11 ARG HD2 H 1 3.232 0.004 . 2 . . . . . . . . 6216 1 58 . 1 1 11 11 ARG HE H 1 7.390 0.002 . 1 . . . . . . . . 6216 1 59 . 1 1 12 12 ILE H H 1 8.834 0.001 . 1 . . . . . . . . 6216 1 60 . 1 1 12 12 ILE HA H 1 3.865 0.003 . 1 . . . . . . . . 6216 1 61 . 1 1 12 12 ILE HB H 1 1.160 0.006 . 1 . . . . . . . . 6216 1 62 . 1 1 12 12 ILE HG21 H 1 0.280 0.004 . 1 . . . . . . . . 6216 1 63 . 1 1 12 12 ILE HG22 H 1 0.280 0.004 . 1 . . . . . . . . 6216 1 64 . 1 1 12 12 ILE HG23 H 1 0.280 0.004 . 1 . . . . . . . . 6216 1 65 . 1 1 12 12 ILE HG12 H 1 1.341 0.001 . 1 . . . . . . . . 6216 1 66 . 1 1 12 12 ILE HG13 H 1 1.068 0.002 . 1 . . . . . . . . 6216 1 67 . 1 1 12 12 ILE HD11 H 1 0.681 0.004 . 1 . . . . . . . . 6216 1 68 . 1 1 12 12 ILE HD12 H 1 0.681 0.004 . 1 . . . . . . . . 6216 1 69 . 1 1 12 12 ILE HD13 H 1 0.681 0.004 . 1 . . . . . . . . 6216 1 70 . 1 1 13 13 CYS H H 1 8.394 0.002 . 1 . . . . . . . . 6216 1 71 . 1 1 13 13 CYS HA H 1 5.130 0.002 . 1 . . . . . . . . 6216 1 72 . 1 1 13 13 CYS HB2 H 1 3.518 0.002 . 1 . . . . . . . . 6216 1 73 . 1 1 13 13 CYS HB3 H 1 2.836 0.003 . 1 . . . . . . . . 6216 1 74 . 1 1 14 14 LEU H H 1 8.267 0.001 . 1 . . . . . . . . 6216 1 75 . 1 1 14 14 LEU HA H 1 4.230 0.003 . 1 . . . . . . . . 6216 1 76 . 1 1 14 14 LEU HB2 H 1 2.219 0.005 . 1 . . . . . . . . 6216 1 77 . 1 1 14 14 LEU HB3 H 1 1.617 0.005 . 1 . . . . . . . . 6216 1 78 . 1 1 14 14 LEU HG H 1 1.394 0.005 . 1 . . . . . . . . 6216 1 79 . 1 1 14 14 LEU HD11 H 1 0.874 0.002 . 1 . . . . . . . . 6216 1 80 . 1 1 14 14 LEU HD12 H 1 0.874 0.002 . 1 . . . . . . . . 6216 1 81 . 1 1 14 14 LEU HD13 H 1 0.874 0.002 . 1 . . . . . . . . 6216 1 82 . 1 1 14 14 LEU HD21 H 1 0.819 0.003 . 1 . . . . . . . . 6216 1 83 . 1 1 14 14 LEU HD22 H 1 0.819 0.003 . 1 . . . . . . . . 6216 1 84 . 1 1 14 14 LEU HD23 H 1 0.819 0.003 . 1 . . . . . . . . 6216 1 85 . 1 1 15 15 SER H H 1 8.317 0.001 . 1 . . . . . . . . 6216 1 86 . 1 1 15 15 SER HA H 1 4.232 0.001 . 1 . . . . . . . . 6216 1 87 . 1 1 15 15 SER HB2 H 1 3.502 0.003 . 1 . . . . . . . . 6216 1 88 . 1 1 15 15 SER HB3 H 1 3.409 0.002 . 1 . . . . . . . . 6216 1 89 . 1 1 16 16 ALA H H 1 8.238 0.001 . 1 . . . . . . . . 6216 1 90 . 1 1 16 16 ALA HA H 1 5.113 0.003 . 1 . . . . . . . . 6216 1 91 . 1 1 16 16 ALA HB1 H 1 1.270 0.001 . 1 . . . . . . . . 6216 1 92 . 1 1 16 16 ALA HB2 H 1 1.270 0.001 . 1 . . . . . . . . 6216 1 93 . 1 1 16 16 ALA HB3 H 1 1.270 0.001 . 1 . . . . . . . . 6216 1 94 . 1 1 17 17 PHE H H 1 9.061 0.001 . 1 . . . . . . . . 6216 1 95 . 1 1 17 17 PHE HA H 1 4.774 0.003 . 1 . . . . . . . . 6216 1 96 . 1 1 17 17 PHE HB2 H 1 3.383 0.004 . 1 . . . . . . . . 6216 1 97 . 1 1 17 17 PHE HB3 H 1 2.851 0.005 . 1 . . . . . . . . 6216 1 98 . 1 1 17 17 PHE HZ H 1 6.177 0.004 . 1 . . . . . . . . 6216 1 99 . 1 1 17 17 PHE HD1 H 1 7.294 0.002 . 3 . . . . . . . . 6216 1 100 . 1 1 17 17 PHE HE1 H 1 6.860 0.004 . 3 . . . . . . . . 6216 1 101 . 1 1 18 18 THR H H 1 9.432 0.001 . 1 . . . . . . . . 6216 1 102 . 1 1 18 18 THR HA H 1 4.523 0.002 . 1 . . . . . . . . 6216 1 103 . 1 1 18 18 THR HB H 1 4.518 0.007 . 1 . . . . . . . . 6216 1 104 . 1 1 18 18 THR HG21 H 1 1.438 0.003 . 1 . . . . . . . . 6216 1 105 . 1 1 18 18 THR HG22 H 1 1.438 0.003 . 1 . . . . . . . . 6216 1 106 . 1 1 18 18 THR HG23 H 1 1.438 0.003 . 1 . . . . . . . . 6216 1 107 . 1 1 19 19 THR H H 1 7.222 0.001 . 1 . . . . . . . . 6216 1 108 . 1 1 19 19 THR HA H 1 4.714 0.001 . 1 . . . . . . . . 6216 1 109 . 1 1 19 19 THR HB H 1 4.419 0.001 . 1 . . . . . . . . 6216 1 110 . 1 1 19 19 THR HG21 H 1 1.251 0.000 . 1 . . . . . . . . 6216 1 111 . 1 1 19 19 THR HG22 H 1 1.251 0.000 . 1 . . . . . . . . 6216 1 112 . 1 1 19 19 THR HG23 H 1 1.251 0.000 . 1 . . . . . . . . 6216 1 113 . 1 1 19 19 THR HG1 H 1 5.509 0.002 . 1 . . . . . . . . 6216 1 114 . 1 1 20 20 LYS H H 1 8.195 0.001 . 1 . . . . . . . . 6216 1 115 . 1 1 20 20 LYS HA H 1 3.060 0.002 . 1 . . . . . . . . 6216 1 116 . 1 1 20 20 LYS HB2 H 1 1.395 0.004 . 1 . . . . . . . . 6216 1 117 . 1 1 20 20 LYS HB3 H 1 1.170 0.003 . 1 . . . . . . . . 6216 1 118 . 1 1 20 20 LYS HG2 H 1 1.093 0.002 . 1 . . . . . . . . 6216 1 119 . 1 1 20 20 LYS HD2 H 1 1.596 0.002 . 1 . . . . . . . . 6216 1 120 . 1 1 20 20 LYS HE2 H 1 2.962 0.001 . 2 . . . . . . . . 6216 1 121 . 1 1 20 20 LYS HZ1 H 1 7.673 0.001 . 1 . . . . . . . . 6216 1 122 . 1 1 20 20 LYS HZ2 H 1 7.673 0.001 . 1 . . . . . . . . 6216 1 123 . 1 1 20 20 LYS HZ3 H 1 7.673 0.001 . 1 . . . . . . . . 6216 1 124 . 1 1 21 21 ALA H H 1 8.558 0.001 . 1 . . . . . . . . 6216 1 125 . 1 1 21 21 ALA HA H 1 4.057 0.002 . 1 . . . . . . . . 6216 1 126 . 1 1 21 21 ALA HB1 H 1 1.302 0.002 . 1 . . . . . . . . 6216 1 127 . 1 1 21 21 ALA HB2 H 1 1.302 0.002 . 1 . . . . . . . . 6216 1 128 . 1 1 21 21 ALA HB3 H 1 1.302 0.002 . 1 . . . . . . . . 6216 1 129 . 1 1 22 22 ASN H H 1 8.062 0.001 . 1 . . . . . . . . 6216 1 130 . 1 1 22 22 ASN HA H 1 4.418 0.002 . 1 . . . . . . . . 6216 1 131 . 1 1 22 22 ASN HB2 H 1 2.912 0.002 . 1 . . . . . . . . 6216 1 132 . 1 1 22 22 ASN HB3 H 1 2.884 0.000 . 1 . . . . . . . . 6216 1 133 . 1 1 22 22 ASN HD21 H 1 7.520 0.001 . 1 . . . . . . . . 6216 1 134 . 1 1 22 22 ASN HD22 H 1 7.221 0.001 . 1 . . . . . . . . 6216 1 135 . 1 1 23 23 CYS H H 1 7.586 0.001 . 1 . . . . . . . . 6216 1 136 . 1 1 23 23 CYS HA H 1 3.020 0.004 . 1 . . . . . . . . 6216 1 137 . 1 1 23 23 CYS HB2 H 1 3.123 0.001 . 1 . . . . . . . . 6216 1 138 . 1 1 23 23 CYS HB3 H 1 2.542 0.001 . 1 . . . . . . . . 6216 1 139 . 1 1 23 23 CYS HG H 1 1.879 0.000 . 1 . . . . . . . . 6216 1 140 . 1 1 24 24 ALA H H 1 8.449 0.002 . 1 . . . . . . . . 6216 1 141 . 1 1 24 24 ALA HA H 1 4.058 0.003 . 1 . . . . . . . . 6216 1 142 . 1 1 24 24 ALA HB1 H 1 1.392 0.001 . 1 . . . . . . . . 6216 1 143 . 1 1 24 24 ALA HB2 H 1 1.392 0.001 . 1 . . . . . . . . 6216 1 144 . 1 1 24 24 ALA HB3 H 1 1.392 0.001 . 1 . . . . . . . . 6216 1 145 . 1 1 25 25 ARG H H 1 7.840 0.001 . 1 . . . . . . . . 6216 1 146 . 1 1 25 25 ARG HA H 1 3.966 0.004 . 1 . . . . . . . . 6216 1 147 . 1 1 25 25 ARG HB2 H 1 1.838 0.003 . 1 . . . . . . . . 6216 1 148 . 1 1 25 25 ARG HB3 H 1 1.775 0.006 . 1 . . . . . . . . 6216 1 149 . 1 1 25 25 ARG HG2 H 1 1.687 0.002 . 1 . . . . . . . . 6216 1 150 . 1 1 25 25 ARG HG3 H 1 1.564 0.002 . 1 . . . . . . . . 6216 1 151 . 1 1 25 25 ARG HD2 H 1 3.204 0.003 . 2 . . . . . . . . 6216 1 152 . 1 1 25 25 ARG HE H 1 7.292 0.003 . 1 . . . . . . . . 6216 1 153 . 1 1 26 26 HIS H H 1 7.277 0.002 . 1 . . . . . . . . 6216 1 154 . 1 1 26 26 HIS HA H 1 4.155 0.002 . 1 . . . . . . . . 6216 1 155 . 1 1 26 26 HIS HB2 H 1 2.928 0.004 . 1 . . . . . . . . 6216 1 156 . 1 1 26 26 HIS HB3 H 1 2.664 0.002 . 1 . . . . . . . . 6216 1 157 . 1 1 26 26 HIS HD2 H 1 6.985 0.001 . 1 . . . . . . . . 6216 1 158 . 1 1 26 26 HIS HE1 H 1 7.994 0.001 . 1 . . . . . . . . 6216 1 159 . 1 1 27 27 LEU H H 1 8.191 0.001 . 1 . . . . . . . . 6216 1 160 . 1 1 27 27 LEU HA H 1 3.867 0.001 . 1 . . . . . . . . 6216 1 161 . 1 1 27 27 LEU HB2 H 1 1.941 0.003 . 1 . . . . . . . . 6216 1 162 . 1 1 27 27 LEU HB3 H 1 1.761 0.003 . 1 . . . . . . . . 6216 1 163 . 1 1 27 27 LEU HG H 1 2.003 0.001 . 1 . . . . . . . . 6216 1 164 . 1 1 27 27 LEU HD11 H 1 1.158 0.004 . 2 . . . . . . . . 6216 1 165 . 1 1 27 27 LEU HD12 H 1 1.158 0.004 . 2 . . . . . . . . 6216 1 166 . 1 1 27 27 LEU HD13 H 1 1.158 0.004 . 2 . . . . . . . . 6216 1 167 . 1 1 28 28 LYS H H 1 7.035 0.002 . 1 . . . . . . . . 6216 1 168 . 1 1 28 28 LYS HA H 1 4.086 0.003 . 1 . . . . . . . . 6216 1 169 . 1 1 28 28 LYS HB2 H 1 1.893 0.004 . 1 . . . . . . . . 6216 1 170 . 1 1 28 28 LYS HB3 H 1 1.767 0.002 . 1 . . . . . . . . 6216 1 171 . 1 1 28 28 LYS HG2 H 1 1.581 0.004 . 1 . . . . . . . . 6216 1 172 . 1 1 28 28 LYS HG3 H 1 1.472 0.005 . 1 . . . . . . . . 6216 1 173 . 1 1 28 28 LYS HD2 H 1 1.678 0.001 . 2 . . . . . . . . 6216 1 174 . 1 1 28 28 LYS HE2 H 1 2.981 0.003 . 2 . . . . . . . . 6216 1 175 . 1 1 28 28 LYS HZ1 H 1 7.664 0.001 . 1 . . . . . . . . 6216 1 176 . 1 1 28 28 LYS HZ2 H 1 7.664 0.001 . 1 . . . . . . . . 6216 1 177 . 1 1 28 28 LYS HZ3 H 1 7.664 0.001 . 1 . . . . . . . . 6216 1 178 . 1 1 29 29 VAL H H 1 8.007 0.002 . 1 . . . . . . . . 6216 1 179 . 1 1 29 29 VAL HA H 1 3.897 0.004 . 1 . . . . . . . . 6216 1 180 . 1 1 29 29 VAL HB H 1 1.964 0.002 . 1 . . . . . . . . 6216 1 181 . 1 1 29 29 VAL HG11 H 1 0.681 0.002 . 1 . . . . . . . . 6216 1 182 . 1 1 29 29 VAL HG12 H 1 0.681 0.002 . 1 . . . . . . . . 6216 1 183 . 1 1 29 29 VAL HG13 H 1 0.681 0.002 . 1 . . . . . . . . 6216 1 184 . 1 1 29 29 VAL HG21 H 1 0.540 0.002 . 1 . . . . . . . . 6216 1 185 . 1 1 29 29 VAL HG22 H 1 0.540 0.002 . 1 . . . . . . . . 6216 1 186 . 1 1 29 29 VAL HG23 H 1 0.540 0.002 . 1 . . . . . . . . 6216 1 187 . 1 1 30 30 HIS H H 1 7.373 0.002 . 1 . . . . . . . . 6216 1 188 . 1 1 30 30 HIS HA H 1 4.791 0.003 . 1 . . . . . . . . 6216 1 189 . 1 1 30 30 HIS HB2 H 1 3.335 0.003 . 1 . . . . . . . . 6216 1 190 . 1 1 30 30 HIS HB3 H 1 3.244 0.002 . 1 . . . . . . . . 6216 1 191 . 1 1 30 30 HIS HD2 H 1 6.830 0.003 . 1 . . . . . . . . 6216 1 192 . 1 1 30 30 HIS HE1 H 1 8.132 0.001 . 1 . . . . . . . . 6216 1 193 . 1 1 31 31 THR H H 1 7.980 0.001 . 1 . . . . . . . . 6216 1 194 . 1 1 31 31 THR HA H 1 4.313 0.005 . 1 . . . . . . . . 6216 1 195 . 1 1 31 31 THR HB H 1 4.307 0.005 . 1 . . . . . . . . 6216 1 196 . 1 1 31 31 THR HG21 H 1 1.224 0.002 . 1 . . . . . . . . 6216 1 197 . 1 1 31 31 THR HG22 H 1 1.224 0.002 . 1 . . . . . . . . 6216 1 198 . 1 1 31 31 THR HG23 H 1 1.224 0.002 . 1 . . . . . . . . 6216 1 199 . 1 1 32 32 ASP H H 1 8.587 0.001 . 1 . . . . . . . . 6216 1 200 . 1 1 32 32 ASP HA H 1 4.676 0.000 . 1 . . . . . . . . 6216 1 201 . 1 1 32 32 ASP HB2 H 1 2.718 0.002 . 2 . . . . . . . . 6216 1 202 . 1 1 33 33 THR H H 1 8.098 0.001 . 1 . . . . . . . . 6216 1 203 . 1 1 33 33 THR HA H 1 4.344 0.002 . 1 . . . . . . . . 6216 1 204 . 1 1 33 33 THR HB H 1 4.260 0.001 . 1 . . . . . . . . 6216 1 205 . 1 1 33 33 THR HG21 H 1 1.224 0.001 . 1 . . . . . . . . 6216 1 206 . 1 1 33 33 THR HG22 H 1 1.224 0.001 . 1 . . . . . . . . 6216 1 207 . 1 1 33 33 THR HG23 H 1 1.224 0.001 . 1 . . . . . . . . 6216 1 208 . 1 1 34 34 LEU H H 1 8.414 0.000 . 1 . . . . . . . . 6216 1 209 . 1 1 34 34 LEU HA H 1 4.436 0.003 . 1 . . . . . . . . 6216 1 210 . 1 1 34 34 LEU HB2 H 1 1.653 0.003 . 2 . . . . . . . . 6216 1 211 . 1 1 34 34 LEU HG H 1 1.714 0.004 . 1 . . . . . . . . 6216 1 212 . 1 1 34 34 LEU HD11 H 1 0.934 0.002 . 1 . . . . . . . . 6216 1 213 . 1 1 34 34 LEU HD12 H 1 0.934 0.002 . 1 . . . . . . . . 6216 1 214 . 1 1 34 34 LEU HD13 H 1 0.934 0.002 . 1 . . . . . . . . 6216 1 215 . 1 1 34 34 LEU HD21 H 1 0.873 0.003 . 1 . . . . . . . . 6216 1 216 . 1 1 34 34 LEU HD22 H 1 0.873 0.003 . 1 . . . . . . . . 6216 1 217 . 1 1 34 34 LEU HD23 H 1 0.873 0.003 . 1 . . . . . . . . 6216 1 218 . 1 1 35 35 SER H H 1 8.023 0.001 . 1 . . . . . . . . 6216 1 219 . 1 1 35 35 SER HA H 1 4.260 0.004 . 1 . . . . . . . . 6216 1 220 . 1 1 35 35 SER HB2 H 1 3.839 0.003 . 2 . . . . . . . . 6216 1 stop_ save_