################################### # 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 26005 _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 isotropic 26005 1 2 '2D DQF-COSY' 1 $sample_1 isotropic 26005 1 3 '2D 1H-1H NOESY' 1 $sample_1 isotropic 26005 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 . 2 2 1 1 ALL H1' H 1 5.231 0.003 . 1 . . . A 101 ALL H1' . 26005 1 2 . 2 2 1 1 ALL H2' H 1 3.420 0.001 . 1 . . . A 101 ALL H2' . 26005 1 3 . 2 2 1 1 ALL H3' H 1 4.051 0.000 . 1 . . . A 101 ALL H3' . 26005 1 4 . 2 2 1 1 ALL H4' H 1 3.555 0.002 . 1 . . . A 101 ALL H4' . 26005 1 5 . 2 2 1 1 ALL H5' H 1 2.783 0.003 . 1 . . . A 101 ALL H5' . 26005 1 6 . 2 2 1 1 ALL H6'1 H 1 2.643 0.005 . 2 . . . A 101 ALL H6'1 . 26005 1 7 . 2 2 1 1 ALL H6'2 H 1 2.982 0.003 . 2 . . . A 101 ALL H6'2 . 26005 1 8 . 1 1 1 1 LYS HA H 1 4.051 0.000 . 1 . . . A 1 LYS HA . 26005 1 9 . 1 1 1 1 LYS HB2 H 1 1.913 0.001 . 2 . . . A 1 LYS HB2 . 26005 1 10 . 1 1 1 1 LYS HB3 H 1 1.913 0.001 . 2 . . . A 1 LYS HB3 . 26005 1 11 . 1 1 1 1 LYS HG2 H 1 1.449 0.000 . 2 . . . A 1 LYS HG2 . 26005 1 12 . 1 1 1 1 LYS HG3 H 1 1.516 0.000 . 2 . . . A 1 LYS HG3 . 26005 1 13 . 1 1 1 1 LYS HD2 H 1 1.731 0.005 . 2 . . . A 1 LYS HD2 . 26005 1 14 . 1 1 1 1 LYS HD3 H 1 1.731 0.005 . 2 . . . A 1 LYS HD3 . 26005 1 15 . 1 1 1 1 LYS HE2 H 1 3.030 0.003 . 2 . . . A 1 LYS HE2 . 26005 1 16 . 1 1 1 1 LYS HE3 H 1 3.030 0.003 . 2 . . . A 1 LYS HE3 . 26005 1 17 . 1 1 2 2 LEU H H 1 8.871 0.003 . 1 . . . A 2 LEU H . 26005 1 18 . 1 1 2 2 LEU HA H 1 4.614 0.001 . 1 . . . A 2 LEU HA . 26005 1 19 . 1 1 2 2 LEU HB2 H 1 1.423 0.010 . 2 . . . A 2 LEU HB2 . 26005 1 20 . 1 1 2 2 LEU HB3 H 1 1.812 0.002 . 2 . . . A 2 LEU HB3 . 26005 1 21 . 1 1 2 2 LEU HG H 1 1.906 0.006 . 1 . . . A 2 LEU HG . 26005 1 22 . 1 1 2 2 LEU HD11 H 1 0.804 0.001 . 2 . . . A 2 LEU HD11 . 26005 1 23 . 1 1 2 2 LEU HD12 H 1 0.804 0.001 . 2 . . . A 2 LEU HD12 . 26005 1 24 . 1 1 2 2 LEU HD13 H 1 0.804 0.001 . 2 . . . A 2 LEU HD13 . 26005 1 25 . 1 1 2 2 LEU HD21 H 1 1.072 0.002 . 2 . . . A 2 LEU HD21 . 26005 1 26 . 1 1 2 2 LEU HD22 H 1 1.072 0.002 . 2 . . . A 2 LEU HD22 . 26005 1 27 . 1 1 2 2 LEU HD23 H 1 1.072 0.002 . 2 . . . A 2 LEU HD23 . 26005 1 28 . 1 1 3 3 PRO HA H 1 4.855 0.001 . 1 . . . A 3 PRO HA . 26005 1 29 . 1 1 3 3 PRO HB2 H 1 1.638 0.004 . 2 . . . A 3 PRO HB2 . 26005 1 30 . 1 1 3 3 PRO HB3 H 1 2.615 0.003 . 2 . . . A 3 PRO HB3 . 26005 1 31 . 1 1 3 3 PRO HG2 H 1 1.840 0.095 . 2 . . . A 3 PRO HG2 . 26005 1 32 . 1 1 3 3 PRO HG3 H 1 1.998 0.004 . 2 . . . A 3 PRO HG3 . 26005 1 33 . 1 1 3 3 PRO HD2 H 1 3.030 0.001 . 2 . . . A 3 PRO HD2 . 26005 1 34 . 1 1 3 3 PRO HD3 H 1 3.694 0.018 . 2 . . . A 3 PRO HD3 . 26005 1 35 . 1 1 4 4 PRO HA H 1 4.348 0.006 . 1 . . . A 4 PRO HA . 26005 1 36 . 1 1 4 4 PRO HB2 H 1 2.058 0.003 . 2 . . . A 4 PRO HB2 . 26005 1 37 . 1 1 4 4 PRO HB3 H 1 2.152 0.000 . 2 . . . A 4 PRO HB3 . 26005 1 38 . 1 1 4 4 PRO HG2 H 1 1.879 0.008 . 2 . . . A 4 PRO HG2 . 26005 1 39 . 1 1 4 4 PRO HG3 H 1 2.346 0.002 . 2 . . . A 4 PRO HG3 . 26005 1 40 . 1 1 4 4 PRO HD2 H 1 3.648 0.003 . 2 . . . A 4 PRO HD2 . 26005 1 41 . 1 1 4 4 PRO HD3 H 1 3.928 0.001 . 2 . . . A 4 PRO HD3 . 26005 1 42 . 1 1 5 5 GLY H H 1 8.812 0.001 . 1 . . . A 5 GLY H . 26005 1 43 . 1 1 5 5 GLY HA2 H 1 3.244 0.003 . 2 . . . A 5 GLY HA2 . 26005 1 44 . 1 1 5 5 GLY HA3 H 1 4.019 0.004 . 2 . . . A 5 GLY HA3 . 26005 1 45 . 1 1 6 6 TRP H H 1 7.383 0.005 . 1 . . . A 6 TRP H . 26005 1 46 . 1 1 6 6 TRP HA H 1 5.190 0.001 . 1 . . . A 6 TRP HA . 26005 1 47 . 1 1 6 6 TRP HB2 H 1 2.940 0.003 . 2 . . . A 6 TRP HB2 . 26005 1 48 . 1 1 6 6 TRP HB3 H 1 3.244 0.001 . 2 . . . A 6 TRP HB3 . 26005 1 49 . 1 1 6 6 TRP HD1 H 1 6.939 0.002 . 1 . . . A 6 TRP HD1 . 26005 1 50 . 1 1 6 6 TRP HE1 H 1 10.628 0.002 . 1 . . . A 6 TRP HE1 . 26005 1 51 . 1 1 6 6 TRP HE3 H 1 7.368 0.003 . 1 . . . A 6 TRP HE3 . 26005 1 52 . 1 1 6 6 TRP HZ2 H 1 7.441 0.004 . 1 . . . A 6 TRP HZ2 . 26005 1 53 . 1 1 6 6 TRP HZ3 H 1 6.922 0.002 . 1 . . . A 6 TRP HZ3 . 26005 1 54 . 1 1 6 6 TRP HH2 H 1 7.001 0.002 . 1 . . . A 6 TRP HH2 . 26005 1 55 . 1 1 7 7 GLU H H 1 9.775 0.003 . 1 . . . A 7 GLU H . 26005 1 56 . 1 1 7 7 GLU HA H 1 4.802 0.000 . 1 . . . A 7 GLU HA . 26005 1 57 . 1 1 7 7 GLU HB2 H 1 2.204 0.023 . 2 . . . A 7 GLU HB2 . 26005 1 58 . 1 1 7 7 GLU HB3 H 1 2.321 0.000 . 2 . . . A 7 GLU HB3 . 26005 1 59 . 1 1 7 7 GLU HG2 H 1 2.488 0.004 . 2 . . . A 7 GLU HG2 . 26005 1 60 . 1 1 7 7 GLU HG3 H 1 2.488 0.004 . 2 . . . A 7 GLU HG3 . 26005 1 61 . 1 1 8 8 LYS H H 1 8.980 0.002 . 1 . . . A 8 LYS H . 26005 1 62 . 1 1 8 8 LYS HA H 1 4.287 0.004 . 1 . . . A 8 LYS HA . 26005 1 63 . 1 1 8 8 LYS HB2 H 1 1.619 0.008 . 2 . . . A 8 LYS HB2 . 26005 1 64 . 1 1 8 8 LYS HB3 H 1 1.785 0.003 . 2 . . . A 8 LYS HB3 . 26005 1 65 . 1 1 8 8 LYS HG2 H 1 0.958 0.007 . 2 . . . A 8 LYS HG2 . 26005 1 66 . 1 1 8 8 LYS HG3 H 1 1.072 0.005 . 2 . . . A 8 LYS HG3 . 26005 1 67 . 1 1 8 8 LYS HD2 H 1 1.656 0.000 . 2 . . . A 8 LYS HD2 . 26005 1 68 . 1 1 8 8 LYS HD3 H 1 1.728 0.004 . 2 . . . A 8 LYS HD3 . 26005 1 69 . 1 1 8 8 LYS HE2 H 1 2.917 0.004 . 2 . . . A 8 LYS HE2 . 26005 1 70 . 1 1 8 8 LYS HE3 H 1 2.917 0.004 . 2 . . . A 8 LYS HE3 . 26005 1 71 . 1 1 9 9 ARG H H 1 8.829 0.002 . 1 . . . A 9 ARG H . 26005 1 72 . 1 1 9 9 ARG HA H 1 4.362 0.004 . 1 . . . A 9 ARG HA . 26005 1 73 . 1 1 9 9 ARG HB2 H 1 -0.127 0.005 . 2 . . . A 9 ARG HB2 . 26005 1 74 . 1 1 9 9 ARG HB3 H 1 -0.127 0.005 . 2 . . . A 9 ARG HB3 . 26005 1 75 . 1 1 9 9 ARG HG2 H 1 1.160 0.003 . 2 . . . A 9 ARG HG2 . 26005 1 76 . 1 1 9 9 ARG HG3 H 1 1.331 0.003 . 2 . . . A 9 ARG HG3 . 26005 1 77 . 1 1 9 9 ARG HD2 H 1 2.509 0.003 . 2 . . . A 9 ARG HD2 . 26005 1 78 . 1 1 9 9 ARG HD3 H 1 2.781 0.001 . 2 . . . A 9 ARG HD3 . 26005 1 79 . 1 1 9 9 ARG HE H 1 6.944 0.006 . 1 . . . A 9 ARG HE . 26005 1 80 . 1 1 10 10 MET H H 1 8.042 0.002 . 1 . . . A 10 MET H . 26005 1 81 . 1 1 10 10 MET HA H 1 5.099 0.002 . 1 . . . A 10 MET HA . 26005 1 82 . 1 1 10 10 MET HB2 H 1 1.794 0.004 . 2 . . . A 10 MET HB2 . 26005 1 83 . 1 1 10 10 MET HB3 H 1 1.926 0.005 . 2 . . . A 10 MET HB3 . 26005 1 84 . 1 1 10 10 MET HG2 H 1 2.694 0.000 . 2 . . . A 10 MET HG2 . 26005 1 85 . 1 1 11 11 PHE H H 1 9.060 0.006 . 1 . . . A 11 PHE H . 26005 1 86 . 1 1 11 11 PHE HA H 1 4.906 0.004 . 1 . . . A 11 PHE HA . 26005 1 87 . 1 1 11 11 PHE HB2 H 1 3.218 0.004 . 2 . . . A 11 PHE HB2 . 26005 1 88 . 1 1 11 11 PHE HB3 H 1 3.575 0.003 . 2 . . . A 11 PHE HB3 . 26005 1 89 . 1 1 11 11 PHE HD1 H 1 7.315 0.001 . 3 . . . A 11 PHE HD1 . 26005 1 90 . 1 1 11 11 PHE HD2 H 1 7.315 0.001 . 3 . . . A 11 PHE HD2 . 26005 1 91 . 1 1 11 11 PHE HE1 H 1 6.920 0.004 . 3 . . . A 11 PHE HE1 . 26005 1 92 . 1 1 11 11 PHE HE2 H 1 6.920 0.004 . 3 . . . A 11 PHE HE2 . 26005 1 93 . 1 1 11 11 PHE HZ H 1 6.487 0.000 . 1 . . . A 11 PHE HZ . 26005 1 94 . 1 1 12 12 ALA H H 1 9.214 0.002 . 1 . . . A 12 ALA H . 26005 1 95 . 1 1 12 12 ALA HA H 1 4.177 0.001 . 1 . . . A 12 ALA HA . 26005 1 96 . 1 1 12 12 ALA HB1 H 1 1.512 0.001 . 2 . . . A 12 ALA HB1 . 26005 1 97 . 1 1 12 12 ALA HB2 H 1 1.512 0.001 . 2 . . . A 12 ALA HB2 . 26005 1 98 . 1 1 12 12 ALA HB3 H 1 1.512 0.001 . 2 . . . A 12 ALA HB3 . 26005 1 99 . 1 1 13 13 ASN H H 1 7.673 0.001 . 1 . . . A 13 ASN H . 26005 1 100 . 1 1 13 13 ASN HA H 1 4.567 0.002 . 1 . . . A 13 ASN HA . 26005 1 101 . 1 1 13 13 ASN HB2 H 1 2.863 0.004 . 2 . . . A 13 ASN HB2 . 26005 1 102 . 1 1 13 13 ASN HB3 H 1 3.415 0.008 . 2 . . . A 13 ASN HB3 . 26005 1 103 . 1 1 13 13 ASN HD21 H 1 8.888 0.002 . 2 . . . A 13 ASN HD21 . 26005 1 104 . 1 1 14 14 GLY H H 1 8.490 0.000 . 1 . . . A 14 GLY H . 26005 1 105 . 1 1 14 14 GLY HA2 H 1 3.912 0.003 . 2 . . . A 14 GLY HA2 . 26005 1 106 . 1 1 14 14 GLY HA3 H 1 4.445 0.007 . 2 . . . A 14 GLY HA3 . 26005 1 107 . 1 1 15 15 THR H H 1 8.199 0.003 . 1 . . . A 15 THR H . 26005 1 108 . 1 1 15 15 THR HA H 1 4.297 0.002 . 1 . . . A 15 THR HA . 26005 1 109 . 1 1 15 15 THR HB H 1 4.582 0.001 . 1 . . . A 15 THR HB . 26005 1 110 . 1 1 15 15 THR HG21 H 1 1.629 0.003 . 1 . . . A 15 THR HG21 . 26005 1 111 . 1 1 15 15 THR HG22 H 1 1.629 0.003 . 1 . . . A 15 THR HG22 . 26005 1 112 . 1 1 15 15 THR HG23 H 1 1.629 0.003 . 1 . . . A 15 THR HG23 . 26005 1 113 . 1 1 16 16 VAL H H 1 8.708 0.000 . 1 . . . A 16 VAL H . 26005 1 114 . 1 1 16 16 VAL HA H 1 4.564 0.002 . 1 . . . A 16 VAL HA . 26005 1 115 . 1 1 16 16 VAL HB H 1 2.018 0.003 . 1 . . . A 16 VAL HB . 26005 1 116 . 1 1 16 16 VAL HG11 H 1 0.804 0.001 . 2 . . . A 16 VAL HG11 . 26005 1 117 . 1 1 16 16 VAL HG12 H 1 0.804 0.001 . 2 . . . A 16 VAL HG12 . 26005 1 118 . 1 1 16 16 VAL HG13 H 1 0.804 0.001 . 2 . . . A 16 VAL HG13 . 26005 1 119 . 1 1 16 16 VAL HG21 H 1 1.092 0.004 . 2 . . . A 16 VAL HG21 . 26005 1 120 . 1 1 16 16 VAL HG22 H 1 1.092 0.004 . 2 . . . A 16 VAL HG22 . 26005 1 121 . 1 1 16 16 VAL HG23 H 1 1.092 0.004 . 2 . . . A 16 VAL HG23 . 26005 1 122 . 1 1 17 17 TYR H H 1 8.508 0.002 . 1 . . . A 17 TYR H . 26005 1 123 . 1 1 17 17 TYR HA H 1 4.782 0.001 . 1 . . . A 17 TYR HA . 26005 1 124 . 1 1 17 17 TYR HB2 H 1 2.538 0.014 . 2 . . . A 17 TYR HB2 . 26005 1 125 . 1 1 17 17 TYR HB3 H 1 2.850 0.003 . 2 . . . A 17 TYR HB3 . 26005 1 126 . 1 1 17 17 TYR HD1 H 1 6.450 0.002 . 3 . . . A 17 TYR HD1 . 26005 1 127 . 1 1 17 17 TYR HD2 H 1 6.450 0.002 . 3 . . . A 17 TYR HD2 . 26005 1 128 . 1 1 17 17 TYR HE1 H 1 5.758 0.002 . 3 . . . A 17 TYR HE1 . 26005 1 129 . 1 1 17 17 TYR HE2 H 1 5.758 0.002 . 3 . . . A 17 TYR HE2 . 26005 1 130 . 1 1 18 18 TYR H H 1 9.096 0.002 . 1 . . . A 18 TYR H . 26005 1 131 . 1 1 18 18 TYR HA H 1 5.220 0.001 . 1 . . . A 18 TYR HA . 26005 1 132 . 1 1 18 18 TYR HB2 H 1 2.633 0.003 . 2 . . . A 18 TYR HB2 . 26005 1 133 . 1 1 18 18 TYR HB3 H 1 2.887 0.002 . 2 . . . A 18 TYR HB3 . 26005 1 134 . 1 1 18 18 TYR HD1 H 1 6.785 0.017 . 3 . . . A 18 TYR HD1 . 26005 1 135 . 1 1 18 18 TYR HD2 H 1 6.785 0.017 . 3 . . . A 18 TYR HD2 . 26005 1 136 . 1 1 18 18 TYR HE1 H 1 6.725 0.004 . 3 . . . A 18 TYR HE1 . 26005 1 137 . 1 1 18 18 TYR HE2 H 1 6.725 0.004 . 3 . . . A 18 TYR HE2 . 26005 1 138 . 1 1 19 19 PHE H H 1 9.317 0.001 . 1 . . . A 19 PHE H . 26005 1 139 . 1 1 19 19 PHE HA H 1 5.594 0.002 . 1 . . . A 19 PHE HA . 26005 1 140 . 1 1 19 19 PHE HB2 H 1 2.505 0.010 . 2 . . . A 19 PHE HB2 . 26005 1 141 . 1 1 19 19 PHE HB3 H 1 2.849 0.003 . 2 . . . A 19 PHE HB3 . 26005 1 142 . 1 1 19 19 PHE HD1 H 1 6.895 0.007 . 3 . . . A 19 PHE HD1 . 26005 1 143 . 1 1 19 19 PHE HD2 H 1 6.895 0.007 . 3 . . . A 19 PHE HD2 . 26005 1 144 . 1 1 19 19 PHE HE1 H 1 7.004 0.003 . 3 . . . A 19 PHE HE1 . 26005 1 145 . 1 1 19 19 PHE HE2 H 1 7.004 0.003 . 3 . . . A 19 PHE HE2 . 26005 1 146 . 1 1 19 19 PHE HZ H 1 7.304 0.002 . 1 . . . A 19 PHE HZ . 26005 1 147 . 1 1 20 20 ASN H H 1 8.177 0.002 . 1 . . . A 20 ASN H . 26005 1 148 . 1 1 20 20 ASN HA H 1 4.390 0.006 . 1 . . . A 20 ASN HA . 26005 1 149 . 1 1 20 20 ASN HB2 H 1 -0.715 0.001 . 2 . . . A 20 ASN HB2 . 26005 1 150 . 1 1 20 20 ASN HB3 H 1 1.986 0.007 . 2 . . . A 20 ASN HB3 . 26005 1 151 . 1 1 20 20 ASN HD21 H 1 6.575 0.001 . 2 . . . A 20 ASN HD21 . 26005 1 152 . 1 1 20 20 ASN HD22 H 1 4.128 0.002 . 2 . . . A 20 ASN HD22 . 26005 1 153 . 1 1 21 21 HIS H H 1 8.181 0.002 . 1 . . . A 21 HIS H . 26005 1 154 . 1 1 21 21 HIS HA H 1 4.143 0.002 . 1 . . . A 21 HIS HA . 26005 1 155 . 1 1 21 21 HIS HB2 H 1 3.097 0.007 . 2 . . . A 21 HIS HB2 . 26005 1 156 . 1 1 21 21 HIS HB3 H 1 3.351 0.002 . 2 . . . A 21 HIS HB3 . 26005 1 157 . 1 1 21 21 HIS HD2 H 1 7.077 0.001 . 1 . . . A 21 HIS HD2 . 26005 1 158 . 1 1 22 22 ILE H H 1 8.361 0.001 . 1 . . . A 22 ILE H . 26005 1 159 . 1 1 22 22 ILE HA H 1 3.845 0.003 . 1 . . . A 22 ILE HA . 26005 1 160 . 1 1 22 22 ILE HB H 1 1.992 0.007 . 1 . . . A 22 ILE HB . 26005 1 161 . 1 1 22 22 ILE HG12 H 1 0.960 0.002 . 1 . . . A 22 ILE HG12 . 26005 1 162 . 1 1 22 22 ILE HG13 H 1 1.266 0.003 . 1 . . . A 22 ILE HG13 . 26005 1 163 . 1 1 22 22 ILE HG21 H 1 0.771 0.004 . 1 . . . A 22 ILE HG21 . 26005 1 164 . 1 1 22 22 ILE HG22 H 1 0.771 0.004 . 1 . . . A 22 ILE HG22 . 26005 1 165 . 1 1 22 22 ILE HG23 H 1 0.771 0.004 . 1 . . . A 22 ILE HG23 . 26005 1 166 . 1 1 22 22 ILE HD11 H 1 0.722 0.004 . 1 . . . A 22 ILE HD11 . 26005 1 167 . 1 1 22 22 ILE HD12 H 1 0.722 0.004 . 1 . . . A 22 ILE HD12 . 26005 1 168 . 1 1 22 22 ILE HD13 H 1 0.722 0.004 . 1 . . . A 22 ILE HD13 . 26005 1 169 . 1 1 23 23 THR H H 1 7.361 0.002 . 1 . . . A 23 THR H . 26005 1 170 . 1 1 23 23 THR HA H 1 4.092 0.002 . 1 . . . A 23 THR HA . 26005 1 171 . 1 1 23 23 THR HB H 1 4.234 0.002 . 1 . . . A 23 THR HB . 26005 1 172 . 1 1 23 23 THR HG1 H 1 5.078 0.001 . 1 . . . A 23 THR HG1 . 26005 1 173 . 1 1 23 23 THR HG21 H 1 0.931 0.002 . 1 . . . A 23 THR HG21 . 26005 1 174 . 1 1 23 23 THR HG22 H 1 0.931 0.002 . 1 . . . A 23 THR HG22 . 26005 1 175 . 1 1 23 23 THR HG23 H 1 0.931 0.002 . 1 . . . A 23 THR HG23 . 26005 1 176 . 1 1 24 24 ASN H H 1 8.067 0.001 . 1 . . . A 24 ASN H . 26005 1 177 . 1 1 24 24 ASN HA H 1 4.117 0.003 . 1 . . . A 24 ASN HA . 26005 1 178 . 1 1 24 24 ASN HB2 H 1 2.930 0.003 . 2 . . . A 24 ASN HB2 . 26005 1 179 . 1 1 24 24 ASN HB3 H 1 3.122 0.001 . 2 . . . A 24 ASN HB3 . 26005 1 180 . 1 1 24 24 ASN HD21 H 1 7.485 0.000 . 2 . . . A 24 ASN HD21 . 26005 1 181 . 1 1 24 24 ASN HD22 H 1 6.884 0.000 . 2 . . . A 24 ASN HD22 . 26005 1 182 . 1 1 25 25 ALA H H 1 7.131 0.002 . 1 . . . A 25 ALA H . 26005 1 183 . 1 1 25 25 ALA HA H 1 4.436 0.001 . 1 . . . A 25 ALA HA . 26005 1 184 . 1 1 25 25 ALA HB1 H 1 1.250 0.002 . 1 . . . A 25 ALA HB1 . 26005 1 185 . 1 1 25 25 ALA HB2 H 1 1.250 0.002 . 1 . . . A 25 ALA HB2 . 26005 1 186 . 1 1 25 25 ALA HB3 H 1 1.250 0.002 . 1 . . . A 25 ALA HB3 . 26005 1 187 . 1 1 26 26 SER H H 1 8.397 0.001 . 1 . . . A 26 SER H . 26005 1 188 . 1 1 26 26 SER HA H 1 6.051 0.003 . 1 . . . A 26 SER HA . 26005 1 189 . 1 1 26 26 SER HB2 H 1 3.894 0.001 . 2 . . . A 26 SER HB2 . 26005 1 190 . 1 1 26 26 SER HB3 H 1 3.963 0.001 . 2 . . . A 26 SER HB3 . 26005 1 191 . 1 1 27 27 GLN H H 1 9.437 0.002 . 1 . . . A 27 GLN H . 26005 1 192 . 1 1 27 27 GLN HA H 1 4.951 0.000 . 1 . . . A 27 GLN HA . 26005 1 193 . 1 1 27 27 GLN HB2 H 1 2.224 0.002 . 2 . . . A 27 GLN HB2 . 26005 1 194 . 1 1 27 27 GLN HB3 H 1 2.224 0.002 . 2 . . . A 27 GLN HB3 . 26005 1 195 . 1 1 27 27 GLN HG2 H 1 2.557 0.001 . 2 . . . A 27 GLN HG2 . 26005 1 196 . 1 1 27 27 GLN HG3 H 1 2.557 0.001 . 2 . . . A 27 GLN HG3 . 26005 1 197 . 1 1 27 27 GLN HE21 H 1 6.723 0.003 . 2 . . . A 27 GLN HE21 . 26005 1 198 . 1 1 27 27 GLN HE22 H 1 7.454 0.002 . 2 . . . A 27 GLN HE22 . 26005 1 199 . 1 1 28 28 PHE H H 1 8.986 0.000 . 1 . . . A 28 PHE H . 26005 1 200 . 1 1 28 28 PHE HA H 1 4.838 0.005 . 1 . . . A 28 PHE HA . 26005 1 201 . 1 1 28 28 PHE HB2 H 1 3.023 0.003 . 2 . . . A 28 PHE HB2 . 26005 1 202 . 1 1 28 28 PHE HB3 H 1 3.466 0.001 . 2 . . . A 28 PHE HB3 . 26005 1 203 . 1 1 28 28 PHE HD1 H 1 7.700 0.004 . 3 . . . A 28 PHE HD1 . 26005 1 204 . 1 1 28 28 PHE HD2 H 1 7.700 0.004 . 3 . . . A 28 PHE HD2 . 26005 1 205 . 1 1 28 28 PHE HE1 H 1 7.448 0.004 . 3 . . . A 28 PHE HE1 . 26005 1 206 . 1 1 28 28 PHE HE2 H 1 7.448 0.004 . 3 . . . A 28 PHE HE2 . 26005 1 207 . 1 1 29 29 GLU H H 1 8.156 0.002 . 1 . . . A 29 GLU H . 26005 1 208 . 1 1 29 29 GLU HA H 1 4.334 0.002 . 1 . . . A 29 GLU HA . 26005 1 209 . 1 1 29 29 GLU HB2 H 1 1.845 0.008 . 2 . . . A 29 GLU HB2 . 26005 1 210 . 1 1 29 29 GLU HB3 H 1 1.896 0.001 . 2 . . . A 29 GLU HB3 . 26005 1 211 . 1 1 29 29 GLU HG2 H 1 2.248 0.004 . 2 . . . A 29 GLU HG2 . 26005 1 212 . 1 1 29 29 GLU HG3 H 1 2.303 0.002 . 2 . . . A 29 GLU HG3 . 26005 1 213 . 1 1 30 30 ARG H H 1 8.597 0.001 . 1 . . . A 30 ARG H . 26005 1 214 . 1 1 30 30 ARG HA H 1 2.666 0.001 . 1 . . . A 30 ARG HA . 26005 1 215 . 1 1 30 30 ARG HB2 H 1 1.377 0.003 . 2 . . . A 30 ARG HB2 . 26005 1 216 . 1 1 30 30 ARG HB3 H 1 1.377 0.003 . 2 . . . A 30 ARG HB3 . 26005 1 217 . 1 1 30 30 ARG HG2 H 1 0.980 0.096 . 2 . . . A 30 ARG HG2 . 26005 1 218 . 1 1 30 30 ARG HG3 H 1 1.188 0.003 . 2 . . . A 30 ARG HG3 . 26005 1 219 . 1 1 30 30 ARG HD2 H 1 3.000 0.011 . 2 . . . A 30 ARG HD2 . 26005 1 220 . 1 1 30 30 ARG HD3 H 1 3.000 0.011 . 2 . . . A 30 ARG HD3 . 26005 1 221 . 1 1 30 30 ARG HE H 1 7.445 0.005 . 1 . . . A 30 ARG HE . 26005 1 222 . 1 1 31 31 PRO HA H 1 3.874 0.000 . 1 . . . A 31 PRO HA . 26005 1 223 . 1 1 31 31 PRO HB2 H 1 0.705 0.004 . 2 . . . A 31 PRO HB2 . 26005 1 224 . 1 1 31 31 PRO HB3 H 1 0.807 0.002 . 2 . . . A 31 PRO HB3 . 26005 1 225 . 1 1 31 31 PRO HG2 H 1 -0.075 0.003 . 2 . . . A 31 PRO HG2 . 26005 1 226 . 1 1 31 31 PRO HG3 H 1 0.540 0.001 . 2 . . . A 31 PRO HG3 . 26005 1 227 . 1 1 31 31 PRO HD2 H 1 2.248 0.001 . 2 . . . A 31 PRO HD2 . 26005 1 228 . 1 1 31 31 PRO HD3 H 1 2.448 0.001 . 2 . . . A 31 PRO HD3 . 26005 1 229 . 1 1 32 32 SER H H 1 8.240 0.001 . 1 . . . A 32 SER H . 26005 1 230 . 1 1 32 32 SER HA H 1 4.288 0.001 . 1 . . . A 32 SER HA . 26005 1 231 . 1 1 32 32 SER HB2 H 1 3.718 0.002 . 2 . . . A 32 SER HB2 . 26005 1 232 . 1 1 32 32 SER HB3 H 1 3.780 0.003 . 2 . . . A 32 SER HB3 . 26005 1 233 . 1 1 33 33 GLY H H 1 7.981 0.000 . 1 . . . A 33 GLY H . 26005 1 234 . 1 1 33 33 GLY HA2 H 1 3.718 0.000 . 2 . . . A 33 GLY HA2 . 26005 1 235 . 1 1 33 33 GLY HA3 H 1 3.790 0.000 . 2 . . . A 33 GLY HA3 . 26005 1 stop_ save_