################################### # 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 26007 _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 26007 1 2 '2D DQF-COSY' 1 $sample_1 isotropic 26007 1 3 '2D 1H-1H NOESY' 1 $sample_1 isotropic 26007 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 XYP H1B H 1 4.711 0.002 . 1 . . . A 101 XYP H1B . 26007 1 2 . 2 2 1 1 XYP H2B H 1 3.211 0.001 . 1 . . . A 101 XYP H2B . 26007 1 3 . 2 2 1 1 XYP H3B H 1 3.151 0.003 . 1 . . . A 101 XYP H3B . 26007 1 4 . 2 2 1 1 XYP H4B H 1 3.304 0.003 . 1 . . . A 101 XYP H4B . 26007 1 5 . 2 2 1 1 XYP H5B1 H 1 2.918 0.002 . 2 . . . A 101 XYP H5B1 . 26007 1 6 . 2 2 1 1 XYP H5B2 H 1 2.280 0.007 . 2 . . . A 101 XYP H5B1 . 26007 1 7 . 1 1 1 1 LYS HA H 1 4.039 0.000 . 1 . . . A 1 LYS HA . 26007 1 8 . 1 1 1 1 LYS HB2 H 1 1.900 0.003 . 2 . . . A 1 LYS HB2 . 26007 1 9 . 1 1 1 1 LYS HB3 H 1 1.900 0.003 . 2 . . . A 1 LYS HB3 . 26007 1 10 . 1 1 1 1 LYS HG2 H 1 1.430 0.000 . 2 . . . A 1 LYS HG2 . 26007 1 11 . 1 1 1 1 LYS HG3 H 1 1.494 0.003 . 2 . . . A 1 LYS HG3 . 26007 1 12 . 1 1 1 1 LYS HD2 H 1 1.709 0.003 . 2 . . . A 1 LYS HD2 . 26007 1 13 . 1 1 1 1 LYS HD3 H 1 1.709 0.003 . 2 . . . A 1 LYS HD3 . 26007 1 14 . 1 1 1 1 LYS HE2 H 1 3.013 0.001 . 2 . . . A 1 LYS HE2 . 26007 1 15 . 1 1 1 1 LYS HE3 H 1 3.013 0.001 . 2 . . . A 1 LYS HE3 . 26007 1 16 . 1 1 2 2 LEU H H 1 8.859 0.002 . 1 . . . A 2 LEU H . 26007 1 17 . 1 1 2 2 LEU HA H 1 4.599 0.001 . 1 . . . A 2 LEU HA . 26007 1 18 . 1 1 2 2 LEU HB2 H 1 1.408 0.006 . 2 . . . A 2 LEU HB2 . 26007 1 19 . 1 1 2 2 LEU HB3 H 1 1.791 0.003 . 2 . . . A 2 LEU HB3 . 26007 1 20 . 1 1 2 2 LEU HG H 1 1.887 0.006 . 1 . . . A 2 LEU HG . 26007 1 21 . 1 1 2 2 LEU HD11 H 1 0.785 0.004 . 2 . . . A 2 LEU HD11 . 26007 1 22 . 1 1 2 2 LEU HD12 H 1 0.785 0.004 . 2 . . . A 2 LEU HD12 . 26007 1 23 . 1 1 2 2 LEU HD13 H 1 0.785 0.004 . 2 . . . A 2 LEU HD13 . 26007 1 24 . 1 1 2 2 LEU HD21 H 1 1.054 0.008 . 2 . . . A 2 LEU HD21 . 26007 1 25 . 1 1 2 2 LEU HD22 H 1 1.054 0.008 . 2 . . . A 2 LEU HD22 . 26007 1 26 . 1 1 2 2 LEU HD23 H 1 1.054 0.008 . 2 . . . A 2 LEU HD23 . 26007 1 27 . 1 1 3 3 PRO HA H 1 4.836 0.001 . 1 . . . A 3 PRO HA . 26007 1 28 . 1 1 3 3 PRO HB2 H 1 1.621 0.014 . 2 . . . A 3 PRO HB2 . 26007 1 29 . 1 1 3 3 PRO HB3 H 1 2.600 0.004 . 2 . . . A 3 PRO HB3 . 26007 1 30 . 1 1 3 3 PRO HG2 H 1 1.823 0.091 . 2 . . . A 3 PRO HG2 . 26007 1 31 . 1 1 3 3 PRO HG3 H 1 1.978 0.002 . 2 . . . A 3 PRO HG3 . 26007 1 32 . 1 1 3 3 PRO HD2 H 1 3.013 0.001 . 2 . . . A 3 PRO HD2 . 26007 1 33 . 1 1 3 3 PRO HD3 H 1 3.683 0.019 . 2 . . . A 3 PRO HD3 . 26007 1 34 . 1 1 4 4 PRO HA H 1 4.329 0.004 . 1 . . . A 4 PRO HA . 26007 1 35 . 1 1 4 4 PRO HB2 H 1 2.035 0.011 . 2 . . . A 4 PRO HB2 . 26007 1 36 . 1 1 4 4 PRO HB3 H 1 2.138 0.004 . 2 . . . A 4 PRO HB3 . 26007 1 37 . 1 1 4 4 PRO HG2 H 1 1.853 0.003 . 2 . . . A 4 PRO HG2 . 26007 1 38 . 1 1 4 4 PRO HG3 H 1 2.322 0.002 . 2 . . . A 4 PRO HG3 . 26007 1 39 . 1 1 4 4 PRO HD2 H 1 3.627 0.002 . 2 . . . A 4 PRO HD2 . 26007 1 40 . 1 1 4 4 PRO HD3 H 1 3.908 0.002 . 2 . . . A 4 PRO HD3 . 26007 1 41 . 1 1 5 5 GLY H H 1 8.792 0.005 . 1 . . . A 5 GLY H . 26007 1 42 . 1 1 5 5 GLY HA2 H 1 3.209 0.007 . 2 . . . A 5 GLY HA2 . 26007 1 43 . 1 1 5 5 GLY HA3 H 1 4.003 0.007 . 2 . . . A 5 GLY HA3 . 26007 1 44 . 1 1 6 6 TRP H H 1 7.368 0.037 . 1 . . . A 6 TRP H . 26007 1 45 . 1 1 6 6 TRP HA H 1 5.159 0.001 . 1 . . . A 6 TRP HA . 26007 1 46 . 1 1 6 6 TRP HB2 H 1 3.222 0.003 . 2 . . . A 6 TRP HB2 . 26007 1 47 . 1 1 6 6 TRP HB3 H 1 2.931 0.005 . 2 . . . A 6 TRP HB3 . 26007 1 48 . 1 1 6 6 TRP HD1 H 1 6.920 0.003 . 1 . . . A 6 TRP HD1 . 26007 1 49 . 1 1 6 6 TRP HE1 H 1 10.627 0.000 . 1 . . . A 6 TRP HE1 . 26007 1 50 . 1 1 6 6 TRP HE3 H 1 7.349 0.006 . 1 . . . A 6 TRP HE3 . 26007 1 51 . 1 1 6 6 TRP HZ2 H 1 7.424 0.004 . 1 . . . A 6 TRP HZ2 . 26007 1 52 . 1 1 6 6 TRP HZ3 H 1 6.907 0.006 . 1 . . . A 6 TRP HZ3 . 26007 1 53 . 1 1 6 6 TRP HH2 H 1 6.976 0.004 . 1 . . . A 6 TRP HH2 . 26007 1 54 . 1 1 7 7 GLU H H 1 9.748 0.003 . 1 . . . A 7 GLU H . 26007 1 55 . 1 1 7 7 GLU HA H 1 4.787 0.004 . 1 . . . A 7 GLU HA . 26007 1 56 . 1 1 7 7 GLU HB2 H 1 2.171 0.010 . 2 . . . A 7 GLU HB2 . 26007 1 57 . 1 1 7 7 GLU HB3 H 1 2.293 0.002 . 2 . . . A 7 GLU HB3 . 26007 1 58 . 1 1 7 7 GLU HG2 H 1 2.477 0.002 . 2 . . . A 7 GLU HG2 . 26007 1 59 . 1 1 7 7 GLU HG3 H 1 2.477 0.002 . 2 . . . A 7 GLU HG3 . 26007 1 60 . 1 1 8 8 LYS H H 1 8.959 0.002 . 1 . . . A 8 LYS H . 26007 1 61 . 1 1 8 8 LYS HA H 1 4.294 0.002 . 1 . . . A 8 LYS HA . 26007 1 62 . 1 1 8 8 LYS HB2 H 1 1.605 0.001 . 2 . . . A 8 LYS HB2 . 26007 1 63 . 1 1 8 8 LYS HB3 H 1 1.778 0.020 . 2 . . . A 8 LYS HB3 . 26007 1 64 . 1 1 8 8 LYS HG2 H 1 0.973 0.004 . 2 . . . A 8 LYS HG2 . 26007 1 65 . 1 1 8 8 LYS HG3 H 1 1.053 0.005 . 2 . . . A 8 LYS HG3 . 26007 1 66 . 1 1 8 8 LYS HD2 H 1 1.639 0.012 . 2 . . . A 8 LYS HD2 . 26007 1 67 . 1 1 8 8 LYS HD3 H 1 1.726 0.005 . 2 . . . A 8 LYS HD3 . 26007 1 68 . 1 1 8 8 LYS HE2 H 1 2.911 0.005 . 2 . . . A 8 LYS HE2 . 26007 1 69 . 1 1 8 8 LYS HE3 H 1 2.911 0.005 . 2 . . . A 8 LYS HE3 . 26007 1 70 . 1 1 9 9 ARG H H 1 8.809 0.004 . 1 . . . A 9 ARG H . 26007 1 71 . 1 1 9 9 ARG HA H 1 4.362 0.003 . 1 . . . A 9 ARG HA . 26007 1 72 . 1 1 9 9 ARG HB2 H 1 -0.115 0.004 . 2 . . . A 9 ARG HB2 . 26007 1 73 . 1 1 9 9 ARG HB3 H 1 -0.115 0.004 . 2 . . . A 9 ARG HB3 . 26007 1 74 . 1 1 9 9 ARG HG2 H 1 1.159 0.027 . 2 . . . A 9 ARG HG2 . 26007 1 75 . 1 1 9 9 ARG HG3 H 1 1.304 0.003 . 2 . . . A 9 ARG HG3 . 26007 1 76 . 1 1 9 9 ARG HD2 H 1 2.491 0.003 . 2 . . . A 9 ARG HD2 . 26007 1 77 . 1 1 9 9 ARG HD3 H 1 2.767 0.001 . 2 . . . A 9 ARG HD3 . 26007 1 78 . 1 1 9 9 ARG HE H 1 6.894 0.005 . 1 . . . A 9 ARG HE . 26007 1 79 . 1 1 10 10 MET H H 1 8.043 0.003 . 1 . . . A 10 MET H . 26007 1 80 . 1 1 10 10 MET HA H 1 5.119 0.001 . 1 . . . A 10 MET HA . 26007 1 81 . 1 1 10 10 MET HB2 H 1 1.793 0.003 . 2 . . . A 10 MET HB2 . 26007 1 82 . 1 1 10 10 MET HB3 H 1 1.931 0.009 . 2 . . . A 10 MET HB3 . 26007 1 83 . 1 1 10 10 MET HG2 H 1 2.229 0.002 . 2 . . . A 10 MET HG2 . 26007 1 84 . 1 1 10 10 MET HG3 H 1 2.671 0.004 . 2 . . . A 10 MET HG3 . 26007 1 85 . 1 1 11 11 PHE H H 1 9.093 0.003 . 1 . . . A 11 PHE H . 26007 1 86 . 1 1 11 11 PHE HA H 1 4.793 0.003 . 1 . . . A 11 PHE HA . 26007 1 87 . 1 1 11 11 PHE HB2 H 1 3.131 0.003 . 2 . . . A 11 PHE HB2 . 26007 1 88 . 1 1 11 11 PHE HB3 H 1 3.492 0.003 . 2 . . . A 11 PHE HB3 . 26007 1 89 . 1 1 11 11 PHE HD1 H 1 7.279 0.003 . 3 . . . A 11 PHE HD1 . 26007 1 90 . 1 1 11 11 PHE HD2 H 1 7.279 0.003 . 3 . . . A 11 PHE HD2 . 26007 1 91 . 1 1 11 11 PHE HE1 H 1 6.827 0.003 . 3 . . . A 11 PHE HE1 . 26007 1 92 . 1 1 11 11 PHE HE2 H 1 6.827 0.003 . 3 . . . A 11 PHE HE2 . 26007 1 93 . 1 1 11 11 PHE HZ H 1 6.382 0.000 . 1 . . . A 11 PHE HZ . 26007 1 94 . 1 1 12 12 ALA H H 1 9.182 0.003 . 1 . . . A 12 ALA H . 26007 1 95 . 1 1 12 12 ALA HA H 1 4.179 0.001 . 1 . . . A 12 ALA HA . 26007 1 96 . 1 1 12 12 ALA HB1 H 1 1.519 0.001 . 1 . . . A 12 ALA HB1 . 26007 1 97 . 1 1 12 12 ALA HB2 H 1 1.519 0.001 . 1 . . . A 12 ALA HB2 . 26007 1 98 . 1 1 12 12 ALA HB3 H 1 1.519 0.001 . 1 . . . A 12 ALA HB3 . 26007 1 99 . 1 1 13 13 ASN H H 1 7.747 0.004 . 1 . . . A 13 ASN H . 26007 1 100 . 1 1 13 13 ASN HA H 1 4.563 0.002 . 1 . . . A 13 ASN HA . 26007 1 101 . 1 1 13 13 ASN HB2 H 1 2.855 0.005 . 2 . . . A 13 ASN HB2 . 26007 1 102 . 1 1 13 13 ASN HB3 H 1 3.417 0.006 . 2 . . . A 13 ASN HB3 . 26007 1 103 . 1 1 13 13 ASN HD21 H 1 9.025 0.002 . 2 . . . A 13 ASN HD21 . 26007 1 104 . 1 1 14 14 GLY H H 1 8.446 0.004 . 1 . . . A 14 GLY H . 26007 1 105 . 1 1 14 14 GLY HA2 H 1 3.886 0.004 . 2 . . . A 14 GLY HA2 . 26007 1 106 . 1 1 14 14 GLY HA3 H 1 4.437 0.002 . 2 . . . A 14 GLY HA3 . 26007 1 107 . 1 1 15 15 THR H H 1 8.106 0.001 . 1 . . . A 15 THR H . 26007 1 108 . 1 1 15 15 THR HA H 1 4.320 0.004 . 1 . . . A 15 THR HA . 26007 1 109 . 1 1 15 15 THR HB H 1 4.517 0.073 . 1 . . . A 15 THR HB . 26007 1 110 . 1 1 15 15 THR HG21 H 1 1.562 0.003 . 1 . . . A 15 THR HG21 . 26007 1 111 . 1 1 15 15 THR HG22 H 1 1.562 0.003 . 1 . . . A 15 THR HG22 . 26007 1 112 . 1 1 15 15 THR HG23 H 1 1.562 0.003 . 1 . . . A 15 THR HG23 . 26007 1 113 . 1 1 16 16 VAL H H 1 8.738 0.002 . 1 . . . A 16 VAL H . 26007 1 114 . 1 1 16 16 VAL HA H 1 4.597 0.003 . 1 . . . A 16 VAL HA . 26007 1 115 . 1 1 16 16 VAL HB H 1 2.014 0.001 . 1 . . . A 16 VAL HB . 26007 1 116 . 1 1 16 16 VAL HG11 H 1 0.799 0.002 . 2 . . . A 16 VAL HG11 . 26007 1 117 . 1 1 16 16 VAL HG12 H 1 0.799 0.002 . 2 . . . A 16 VAL HG12 . 26007 1 118 . 1 1 16 16 VAL HG13 H 1 0.799 0.002 . 2 . . . A 16 VAL HG13 . 26007 1 119 . 1 1 16 16 VAL HG21 H 1 1.080 0.003 . 2 . . . A 16 VAL HG21 . 26007 1 120 . 1 1 16 16 VAL HG22 H 1 1.080 0.003 . 2 . . . A 16 VAL HG22 . 26007 1 121 . 1 1 16 16 VAL HG23 H 1 1.080 0.003 . 2 . . . A 16 VAL HG23 . 26007 1 122 . 1 1 17 17 TYR H H 1 8.545 0.003 . 1 . . . A 17 TYR H . 26007 1 123 . 1 1 17 17 TYR HA H 1 4.796 0.003 . 1 . . . A 17 TYR HA . 26007 1 124 . 1 1 17 17 TYR HB2 H 1 2.549 0.032 . 2 . . . A 17 TYR HB2 . 26007 1 125 . 1 1 17 17 TYR HB3 H 1 2.862 0.012 . 2 . . . A 17 TYR HB3 . 26007 1 126 . 1 1 17 17 TYR HD1 H 1 6.497 0.013 . 3 . . . A 17 TYR HD1 . 26007 1 127 . 1 1 17 17 TYR HD2 H 1 6.497 0.013 . 3 . . . A 17 TYR HD2 . 26007 1 128 . 1 1 17 17 TYR HE1 H 1 5.805 0.006 . 3 . . . A 17 TYR HE1 . 26007 1 129 . 1 1 17 17 TYR HE2 H 1 5.805 0.006 . 3 . . . A 17 TYR HE2 . 26007 1 130 . 1 1 18 18 TYR H H 1 9.102 0.004 . 1 . . . A 18 TYR H . 26007 1 131 . 1 1 18 18 TYR HA H 1 5.229 0.003 . 1 . . . A 18 TYR HA . 26007 1 132 . 1 1 18 18 TYR HB2 H 1 2.615 0.003 . 2 . . . A 18 TYR HB2 . 26007 1 133 . 1 1 18 18 TYR HB3 H 1 2.887 0.006 . 2 . . . A 18 TYR HB3 . 26007 1 134 . 1 1 18 18 TYR HD1 H 1 6.778 0.016 . 3 . . . A 18 TYR HD1 . 26007 1 135 . 1 1 18 18 TYR HD2 H 1 6.778 0.016 . 3 . . . A 18 TYR HD2 . 26007 1 136 . 1 1 18 18 TYR HE1 H 1 6.714 0.001 . 3 . . . A 18 TYR HE1 . 26007 1 137 . 1 1 18 18 TYR HE2 H 1 6.714 0.001 . 3 . . . A 18 TYR HE2 . 26007 1 138 . 1 1 19 19 PHE H H 1 9.273 0.003 . 1 . . . A 19 PHE H . 26007 1 139 . 1 1 19 19 PHE HA H 1 5.602 0.002 . 1 . . . A 19 PHE HA . 26007 1 140 . 1 1 19 19 PHE HB2 H 1 2.466 0.015 . 2 . . . A 19 PHE HB2 . 26007 1 141 . 1 1 19 19 PHE HB3 H 1 2.831 0.004 . 2 . . . A 19 PHE HB3 . 26007 1 142 . 1 1 19 19 PHE HD1 H 1 6.880 0.004 . 3 . . . A 19 PHE HD1 . 26007 1 143 . 1 1 19 19 PHE HD2 H 1 6.880 0.004 . 3 . . . A 19 PHE HD2 . 26007 1 144 . 1 1 19 19 PHE HE1 H 1 6.962 0.003 . 3 . . . A 19 PHE HE1 . 26007 1 145 . 1 1 19 19 PHE HE2 H 1 6.962 0.003 . 3 . . . A 19 PHE HE2 . 26007 1 146 . 1 1 19 19 PHE HZ H 1 7.265 0.001 . 1 . . . A 19 PHE HZ . 26007 1 147 . 1 1 20 20 ASN H H 1 8.161 0.009 . 1 . . . A 20 ASN H . 26007 1 148 . 1 1 20 20 ASN HA H 1 4.360 0.003 . 1 . . . A 20 ASN HA . 26007 1 149 . 1 1 20 20 ASN HB2 H 1 -0.753 0.004 . 2 . . . A 20 ASN HB2 . 26007 1 150 . 1 1 20 20 ASN HB3 H 1 1.958 0.007 . 2 . . . A 20 ASN HB3 . 26007 1 151 . 1 1 20 20 ASN HD21 H 1 6.560 0.001 . 2 . . . A 20 ASN HD21 . 26007 1 152 . 1 1 20 20 ASN HD22 H 1 4.098 0.000 . 2 . . . A 20 ASN HD22 . 26007 1 153 . 1 1 21 21 HIS H H 1 8.145 0.005 . 1 . . . A 21 HIS H . 26007 1 154 . 1 1 21 21 HIS HA H 1 4.116 0.002 . 1 . . . A 21 HIS HA . 26007 1 155 . 1 1 21 21 HIS HB2 H 1 3.089 0.007 . 2 . . . A 21 HIS HB2 . 26007 1 156 . 1 1 21 21 HIS HB3 H 1 3.343 0.005 . 2 . . . A 21 HIS HB3 . 26007 1 157 . 1 1 21 21 HIS HD2 H 1 7.077 0.001 . 1 . . . A 21 HIS HD2 . 26007 1 158 . 1 1 21 21 HIS HE1 H 1 8.174 0.000 . 1 . . . A 21 HIS HE1 . 26007 1 159 . 1 1 22 22 ILE H H 1 8.357 0.001 . 1 . . . A 22 ILE H . 26007 1 160 . 1 1 22 22 ILE HA H 1 3.822 0.002 . 1 . . . A 22 ILE HA . 26007 1 161 . 1 1 22 22 ILE HB H 1 1.965 0.007 . 1 . . . A 22 ILE HB . 26007 1 162 . 1 1 22 22 ILE HG12 H 1 0.932 0.008 . 1 . . . A 22 ILE HG12 . 26007 1 163 . 1 1 22 22 ILE HG13 H 1 1.240 0.010 . 1 . . . A 22 ILE HG13 . 26007 1 164 . 1 1 22 22 ILE HG21 H 1 0.748 0.001 . 1 . . . A 22 ILE HG21 . 26007 1 165 . 1 1 22 22 ILE HG22 H 1 0.748 0.001 . 1 . . . A 22 ILE HG22 . 26007 1 166 . 1 1 22 22 ILE HG23 H 1 0.748 0.001 . 1 . . . A 22 ILE HG23 . 26007 1 167 . 1 1 22 22 ILE HD11 H 1 0.699 0.004 . 1 . . . A 22 ILE HD11 . 26007 1 168 . 1 1 22 22 ILE HD12 H 1 0.699 0.004 . 1 . . . A 22 ILE HD12 . 26007 1 169 . 1 1 22 22 ILE HD13 H 1 0.699 0.004 . 1 . . . A 22 ILE HD13 . 26007 1 170 . 1 1 23 23 THR H H 1 7.328 0.003 . 1 . . . A 23 THR H . 26007 1 171 . 1 1 23 23 THR HA H 1 4.069 0.002 . 1 . . . A 23 THR HA . 26007 1 172 . 1 1 23 23 THR HB H 1 4.215 0.002 . 1 . . . A 23 THR HB . 26007 1 173 . 1 1 23 23 THR HG1 H 1 5.065 0.000 . 1 . . . A 23 THR HG1 . 26007 1 174 . 1 1 23 23 THR HG21 H 1 0.909 0.002 . 1 . . . A 23 THR HG21 . 26007 1 175 . 1 1 23 23 THR HG22 H 1 0.909 0.002 . 1 . . . A 23 THR HG22 . 26007 1 176 . 1 1 23 23 THR HG23 H 1 0.909 0.002 . 1 . . . A 23 THR HG23 . 26007 1 177 . 1 1 24 24 ASN H H 1 8.031 0.003 . 1 . . . A 24 ASN H . 26007 1 178 . 1 1 24 24 ASN HA H 1 4.108 0.003 . 1 . . . A 24 ASN HA . 26007 1 179 . 1 1 24 24 ASN HB2 H 1 2.918 0.008 . 2 . . . A 24 ASN HB2 . 26007 1 180 . 1 1 24 24 ASN HB3 H 1 3.103 0.008 . 2 . . . A 24 ASN HB3 . 26007 1 181 . 1 1 24 24 ASN HD21 H 1 7.464 0.001 . 2 . . . A 24 ASN HD21 . 26007 1 182 . 1 1 24 24 ASN HD22 H 1 6.869 0.000 . 2 . . . A 24 ASN HD22 . 26007 1 183 . 1 1 25 25 ALA H H 1 7.101 0.002 . 1 . . . A 25 ALA H . 26007 1 184 . 1 1 25 25 ALA HA H 1 4.440 0.003 . 1 . . . A 25 ALA HA . 26007 1 185 . 1 1 25 25 ALA HB1 H 1 1.233 0.002 . 1 . . . A 25 ALA HB1 . 26007 1 186 . 1 1 25 25 ALA HB2 H 1 1.233 0.002 . 1 . . . A 25 ALA HB2 . 26007 1 187 . 1 1 25 25 ALA HB3 H 1 1.233 0.002 . 1 . . . A 25 ALA HB3 . 26007 1 188 . 1 1 26 26 SER H H 1 8.393 0.003 . 1 . . . A 26 SER H . 26007 1 189 . 1 1 26 26 SER HA H 1 6.041 0.002 . 1 . . . A 26 SER HA . 26007 1 190 . 1 1 26 26 SER HB2 H 1 3.821 0.002 . 2 . . . A 26 SER HB2 . 26007 1 191 . 1 1 26 26 SER HB3 H 1 3.875 0.004 . 2 . . . A 26 SER HB3 . 26007 1 192 . 1 1 27 27 GLN H H 1 9.439 0.002 . 1 . . . A 27 GLN H . 26007 1 193 . 1 1 27 27 GLN HA H 1 4.972 0.000 . 1 . . . A 27 GLN HA . 26007 1 194 . 1 1 27 27 GLN HB2 H 1 2.217 0.007 . 2 . . . A 27 GLN HB2 . 26007 1 195 . 1 1 27 27 GLN HB3 H 1 2.217 0.007 . 2 . . . A 27 GLN HB3 . 26007 1 196 . 1 1 27 27 GLN HG2 H 1 2.564 0.002 . 2 . . . A 27 GLN HG2 . 26007 1 197 . 1 1 27 27 GLN HG3 H 1 2.564 0.002 . 2 . . . A 27 GLN HG3 . 26007 1 198 . 1 1 27 27 GLN HE21 H 1 6.718 0.003 . 2 . . . A 27 GLN HE21 . 26007 1 199 . 1 1 27 27 GLN HE22 H 1 7.446 0.001 . 2 . . . A 27 GLN HE22 . 26007 1 200 . 1 1 28 28 PHE H H 1 9.030 0.002 . 1 . . . A 28 PHE H . 26007 1 201 . 1 1 28 28 PHE HA H 1 4.826 0.002 . 1 . . . A 28 PHE HA . 26007 1 202 . 1 1 28 28 PHE HB2 H 1 2.995 0.004 . 2 . . . A 28 PHE HB2 . 26007 1 203 . 1 1 28 28 PHE HB3 H 1 3.432 0.006 . 2 . . . A 28 PHE HB3 . 26007 1 204 . 1 1 28 28 PHE HD1 H 1 7.664 0.003 . 3 . . . A 28 PHE HD1 . 26007 1 205 . 1 1 28 28 PHE HD2 H 1 7.664 0.003 . 3 . . . A 28 PHE HD2 . 26007 1 206 . 1 1 28 28 PHE HE1 H 1 7.386 0.059 . 3 . . . A 28 PHE HE1 . 26007 1 207 . 1 1 28 28 PHE HE2 H 1 7.386 0.059 . 3 . . . A 28 PHE HE2 . 26007 1 208 . 1 1 28 28 PHE HZ H 1 7.283 0.000 . 1 . . . A 28 PHE HZ . 26007 1 209 . 1 1 29 29 GLU H H 1 8.201 0.001 . 1 . . . A 29 GLU H . 26007 1 210 . 1 1 29 29 GLU HA H 1 4.293 0.002 . 1 . . . A 29 GLU HA . 26007 1 211 . 1 1 29 29 GLU HB2 H 1 1.815 0.009 . 2 . . . A 29 GLU HB2 . 26007 1 212 . 1 1 29 29 GLU HB3 H 1 1.890 0.005 . 2 . . . A 29 GLU HB3 . 26007 1 213 . 1 1 29 29 GLU HG2 H 1 2.232 0.008 . 2 . . . A 29 GLU HG2 . 26007 1 214 . 1 1 29 29 GLU HG3 H 1 2.308 0.001 . 2 . . . A 29 GLU HG3 . 26007 1 215 . 1 1 30 30 ARG H H 1 8.581 0.002 . 1 . . . A 30 ARG H . 26007 1 216 . 1 1 30 30 ARG HA H 1 2.684 0.001 . 1 . . . A 30 ARG HA . 26007 1 217 . 1 1 30 30 ARG HB2 H 1 1.369 0.004 . 2 . . . A 30 ARG HB2 . 26007 1 218 . 1 1 30 30 ARG HB3 H 1 1.369 0.004 . 2 . . . A 30 ARG HB3 . 26007 1 219 . 1 1 30 30 ARG HG2 H 1 0.956 0.091 . 2 . . . A 30 ARG HG2 . 26007 1 220 . 1 1 30 30 ARG HG3 H 1 1.179 0.005 . 2 . . . A 30 ARG HG3 . 26007 1 221 . 1 1 30 30 ARG HD2 H 1 2.989 0.004 . 2 . . . A 30 ARG HD2 . 26007 1 222 . 1 1 30 30 ARG HD3 H 1 2.989 0.004 . 2 . . . A 30 ARG HD3 . 26007 1 223 . 1 1 30 30 ARG HE H 1 7.438 0.010 . 1 . . . A 30 ARG HE . 26007 1 224 . 1 1 31 31 PRO HA H 1 3.855 0.002 . 1 . . . A 31 PRO HA . 26007 1 225 . 1 1 31 31 PRO HB2 H 1 0.688 0.002 . 2 . . . A 31 PRO HB2 . 26007 1 226 . 1 1 31 31 PRO HB3 H 1 0.793 0.007 . 2 . . . A 31 PRO HB3 . 26007 1 227 . 1 1 31 31 PRO HG2 H 1 -0.116 0.005 . 2 . . . A 31 PRO HG2 . 26007 1 228 . 1 1 31 31 PRO HG3 H 1 0.505 0.005 . 2 . . . A 31 PRO HG3 . 26007 1 229 . 1 1 31 31 PRO HD2 H 1 2.203 0.005 . 2 . . . A 31 PRO HD2 . 26007 1 230 . 1 1 31 31 PRO HD3 H 1 2.398 0.061 . 2 . . . A 31 PRO HD3 . 26007 1 231 . 1 1 32 32 SER H H 1 8.232 0.003 . 1 . . . A 32 SER H . 26007 1 232 . 1 1 32 32 SER HA H 1 4.271 0.002 . 1 . . . A 32 SER HA . 26007 1 233 . 1 1 32 32 SER HB2 H 1 3.699 0.003 . 2 . . . A 32 SER HB2 . 26007 1 234 . 1 1 32 32 SER HB3 H 1 3.768 0.000 . 2 . . . A 32 SER HB3 . 26007 1 235 . 1 1 33 33 GLY H H 1 7.963 0.001 . 1 . . . A 33 GLY H . 26007 1 236 . 1 1 33 33 GLY HA2 H 1 3.702 0.000 . 2 . . . A 33 GLY HA2 . 26007 1 237 . 1 1 33 33 GLY HA3 H 1 3.778 0.000 . 2 . . . A 33 GLY HA3 . 26007 1 stop_ save_