################################### # 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 5922 _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 . 5922 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 ALA HA H 1 4.245 0.010 . 1 . . . . . . . . 5922 1 2 . 1 1 1 1 ALA HB1 H 1 1.574 0.010 . 1 . . . . . . . . 5922 1 3 . 1 1 1 1 ALA HB2 H 1 1.574 0.010 . 1 . . . . . . . . 5922 1 4 . 1 1 1 1 ALA HB3 H 1 1.574 0.010 . 1 . . . . . . . . 5922 1 5 . 1 1 2 2 ILE H H 1 8.390 0.010 . 1 . . . . . . . . 5922 1 6 . 1 1 2 2 ILE HA H 1 4.131 0.010 . 1 . . . . . . . . 5922 1 7 . 1 1 2 2 ILE HB H 1 1.910 0.010 . 1 . . . . . . . . 5922 1 8 . 1 1 2 2 ILE HG12 H 1 1.250 0.010 . 1 . . . . . . . . 5922 1 9 . 1 1 2 2 ILE HG13 H 1 1.572 0.010 . 1 . . . . . . . . 5922 1 10 . 1 1 2 2 ILE HG21 H 1 0.966 0.010 . 1 . . . . . . . . 5922 1 11 . 1 1 2 2 ILE HG22 H 1 0.966 0.010 . 1 . . . . . . . . 5922 1 12 . 1 1 2 2 ILE HG23 H 1 0.966 0.010 . 1 . . . . . . . . 5922 1 13 . 1 1 2 2 ILE HD11 H 1 0.920 0.010 . 1 . . . . . . . . 5922 1 14 . 1 1 2 2 ILE HD12 H 1 0.920 0.010 . 1 . . . . . . . . 5922 1 15 . 1 1 2 2 ILE HD13 H 1 0.920 0.010 . 1 . . . . . . . . 5922 1 16 . 1 1 3 3 GLY H H 1 8.277 0.010 . 1 . . . . . . . . 5922 1 17 . 1 1 3 3 GLY HA2 H 1 3.926 0.010 . 1 . . . . . . . . 5922 1 18 . 1 1 4 4 ASN H H 1 8.157 0.010 . 1 . . . . . . . . 5922 1 19 . 1 1 4 4 ASN HA H 1 4.760 0.010 . 1 . . . . . . . . 5922 1 20 . 1 1 4 4 ASN HB2 H 1 2.755 0.010 . 1 . . . . . . . . 5922 1 21 . 1 1 4 4 ASN HB3 H 1 2.903 0.010 . 1 . . . . . . . . 5922 1 22 . 1 1 4 4 ASN HD21 H 1 6.818 0.010 . 1 . . . . . . . . 5922 1 23 . 1 1 4 4 ASN HD22 H 1 7.531 0.010 . 1 . . . . . . . . 5922 1 24 . 1 1 5 5 NLE H H 1 7.974 0.010 . 1 . . . . . . . . 5922 1 25 . 1 1 5 5 NLE HA H 1 4.212 0.010 . 1 . . . . . . . . 5922 1 26 . 1 1 5 5 NLE HB2 H 1 1.410 0.010 . 1 . . . . . . . . 5922 1 27 . 1 1 5 5 NLE HB3 H 1 1.815 0.010 . 1 . . . . . . . . 5922 1 28 . 1 1 5 5 NLE HG2 H 1 1.342 0.010 . 1 . . . . . . . . 5922 1 29 . 1 1 5 5 NLE HD2 H 1 0.902 0.010 . 1 . . . . . . . . 5922 1 30 . 1 1 6 6 GLU H H 1 7.963 0.010 . 1 . . . . . . . . 5922 1 31 . 1 1 6 6 GLU HA H 1 4.392 0.010 . 1 . . . . . . . . 5922 1 32 . 1 1 6 6 GLU HB2 H 1 1.980 0.010 . 1 . . . . . . . . 5922 1 33 . 1 1 6 6 GLU HB3 H 1 2.125 0.010 . 1 . . . . . . . . 5922 1 34 . 1 1 6 6 GLU HG2 H 1 2.463 0.010 . 1 . . . . . . . . 5922 1 35 . 1 1 7 7 GLN H H 1 8.064 0.010 . 1 . . . . . . . . 5922 1 36 . 1 1 7 7 GLN HA H 1 4.451 0.010 . 1 . . . . . . . . 5922 1 37 . 1 1 7 7 GLN HB2 H 1 1.969 0.010 . 1 . . . . . . . . 5922 1 38 . 1 1 7 7 GLN HB3 H 1 2.034 0.010 . 1 . . . . . . . . 5922 1 39 . 1 1 7 7 GLN HG2 H 1 2.324 0.010 . 1 . . . . . . . . 5922 1 40 . 1 1 7 7 GLN HE21 H 1 6.716 0.010 . 1 . . . . . . . . 5922 1 41 . 1 1 7 7 GLN HE22 H 1 7.456 0.010 . 1 . . . . . . . . 5922 1 42 . 1 1 8 8 PRO HA H 1 4.464 0.010 . 1 . . . . . . . . 5922 1 43 . 1 1 8 8 PRO HB2 H 1 2.022 0.010 . 1 . . . . . . . . 5922 1 44 . 1 1 8 8 PRO HB3 H 1 2.284 0.010 . 1 . . . . . . . . 5922 1 45 . 1 1 8 8 PRO HG2 H 1 1.873 0.010 . 1 . . . . . . . . 5922 1 46 . 1 1 8 8 PRO HG3 H 1 1.965 0.010 . 1 . . . . . . . . 5922 1 47 . 1 1 8 8 PRO HD2 H 1 3.663 0.010 . 1 . . . . . . . . 5922 1 48 . 1 1 8 8 PRO HD3 H 1 3.780 0.010 . 1 . . . . . . . . 5922 1 49 . 1 1 9 9 HIS H H 1 8.376 0.010 . 1 . . . . . . . . 5922 1 50 . 1 1 9 9 HIS HA H 1 4.773 0.010 . 1 . . . . . . . . 5922 1 51 . 1 1 9 9 HIS HB2 H 1 3.244 0.010 . 1 . . . . . . . . 5922 1 52 . 1 1 9 9 HIS HB3 H 1 3.297 0.010 . 1 . . . . . . . . 5922 1 53 . 1 1 9 9 HIS HD2 H 1 7.369 0.010 . 1 . . . . . . . . 5922 1 54 . 1 1 9 9 HIS HE1 H 1 8.623 0.010 . 1 . . . . . . . . 5922 1 55 . 1 1 10 10 NLE H H 1 8.114 0.010 . 1 . . . . . . . . 5922 1 56 . 1 1 10 10 NLE HA H 1 4.168 0.010 . 1 . . . . . . . . 5922 1 57 . 1 1 10 10 NLE HB2 H 1 1.812 0.010 . 1 . . . . . . . . 5922 1 58 . 1 1 10 10 NLE HG2 H 1 1.339 0.010 . 1 . . . . . . . . 5922 1 59 . 1 1 10 10 NLE HD2 H 1 0.890 0.010 . 1 . . . . . . . . 5922 1 60 . 1 1 11 11 ASP H H 1 8.439 0.010 . 1 . . . . . . . . 5922 1 61 . 1 1 11 11 ASP HA H 1 4.591 0.010 . 1 . . . . . . . . 5922 1 62 . 1 1 11 11 ASP HB2 H 1 2.931 0.010 . 1 . . . . . . . . 5922 1 63 . 1 1 12 12 SER H H 1 8.076 0.010 . 1 . . . . . . . . 5922 1 64 . 1 1 12 12 SER HA H 1 4.446 0.010 . 1 . . . . . . . . 5922 1 65 . 1 1 12 12 SER HB2 H 1 3.945 0.010 . 1 . . . . . . . . 5922 1 66 . 1 1 13 13 ARG H H 1 8.105 0.010 . 1 . . . . . . . . 5922 1 67 . 1 1 13 13 ARG HA H 1 4.408 0.010 . 1 . . . . . . . . 5922 1 68 . 1 1 13 13 ARG HB2 H 1 1.926 0.010 . 1 . . . . . . . . 5922 1 69 . 1 1 13 13 ARG HG2 H 1 1.702 0.010 . 1 . . . . . . . . 5922 1 70 . 1 1 13 13 ARG HD2 H 1 3.074 0.010 . 1 . . . . . . . . 5922 1 71 . 1 1 13 13 ARG HD3 H 1 3.122 0.010 . 1 . . . . . . . . 5922 1 72 . 1 1 13 13 ARG HE H 1 7.125 0.010 . 1 . . . . . . . . 5922 1 73 . 1 1 14 14 ILE H H 1 7.763 0.010 . 1 . . . . . . . . 5922 1 74 . 1 1 14 14 ILE HA H 1 4.050 0.010 . 1 . . . . . . . . 5922 1 75 . 1 1 14 14 ILE HB H 1 1.894 0.010 . 1 . . . . . . . . 5922 1 76 . 1 1 14 14 ILE HG12 H 1 1.223 0.010 . 1 . . . . . . . . 5922 1 77 . 1 1 14 14 ILE HG13 H 1 1.493 0.010 . 1 . . . . . . . . 5922 1 78 . 1 1 14 14 ILE HG21 H 1 0.857 0.010 . 1 . . . . . . . . 5922 1 79 . 1 1 14 14 ILE HG22 H 1 0.857 0.010 . 1 . . . . . . . . 5922 1 80 . 1 1 14 14 ILE HG23 H 1 0.857 0.010 . 1 . . . . . . . . 5922 1 81 . 1 1 14 14 ILE HD11 H 1 0.811 0.010 . 1 . . . . . . . . 5922 1 82 . 1 1 14 14 ILE HD12 H 1 0.811 0.010 . 1 . . . . . . . . 5922 1 83 . 1 1 14 14 ILE HD13 H 1 0.811 0.010 . 1 . . . . . . . . 5922 1 84 . 1 1 15 15 GLY H H 1 8.341 0.010 . 1 . . . . . . . . 5922 1 85 . 1 1 15 15 GLY HA2 H 1 3.902 0.010 . 1 . . . . . . . . 5922 1 86 . 1 1 15 15 GLY HA3 H 1 4.040 0.010 . 1 . . . . . . . . 5922 1 87 . 1 1 16 16 TRP H H 1 7.770 0.010 . 1 . . . . . . . . 5922 1 88 . 1 1 16 16 TRP HA H 1 4.414 0.010 . 1 . . . . . . . . 5922 1 89 . 1 1 16 16 TRP HB2 H 1 3.381 0.010 . 1 . . . . . . . . 5922 1 90 . 1 1 16 16 TRP HB3 H 1 3.431 0.010 . 1 . . . . . . . . 5922 1 91 . 1 1 16 16 TRP HD1 H 1 7.376 0.010 . 1 . . . . . . . . 5922 1 92 . 1 1 16 16 TRP HE3 H 1 7.418 0.010 . 1 . . . . . . . . 5922 1 93 . 1 1 16 16 TRP HE1 H 1 9.963 0.010 . 1 . . . . . . . . 5922 1 94 . 1 1 16 16 TRP HZ3 H 1 6.958 0.010 . 1 . . . . . . . . 5922 1 95 . 1 1 16 16 TRP HZ2 H 1 7.410 0.010 . 1 . . . . . . . . 5922 1 96 . 1 1 16 16 TRP HH2 H 1 7.065 0.010 . 1 . . . . . . . . 5922 1 97 . 1 1 17 17 LEU H H 1 7.758 0.010 . 1 . . . . . . . . 5922 1 98 . 1 1 17 17 LEU HA H 1 3.904 0.010 . 1 . . . . . . . . 5922 1 99 . 1 1 17 17 LEU HB2 H 1 1.487 0.010 . 1 . . . . . . . . 5922 1 100 . 1 1 17 17 LEU HD11 H 1 0.812 0.010 . 1 . . . . . . . . 5922 1 101 . 1 1 17 17 LEU HD12 H 1 0.812 0.010 . 1 . . . . . . . . 5922 1 102 . 1 1 17 17 LEU HD13 H 1 0.812 0.010 . 1 . . . . . . . . 5922 1 103 . 1 1 17 17 LEU HD21 H 1 0.890 0.010 . 1 . . . . . . . . 5922 1 104 . 1 1 17 17 LEU HD22 H 1 0.890 0.010 . 1 . . . . . . . . 5922 1 105 . 1 1 17 17 LEU HD23 H 1 0.890 0.010 . 1 . . . . . . . . 5922 1 106 . 1 1 17 17 LEU HG H 1 1.584 0.010 . 1 . . . . . . . . 5922 1 107 . 1 1 18 18 HIS H H 1 8.038 0.010 . 1 . . . . . . . . 5922 1 108 . 1 1 18 18 HIS HA H 1 4.404 0.010 . 1 . . . . . . . . 5922 1 109 . 1 1 18 18 HIS HB2 H 1 3.289 0.010 . 1 . . . . . . . . 5922 1 110 . 1 1 18 18 HIS HB3 H 1 3.339 0.010 . 1 . . . . . . . . 5922 1 111 . 1 1 18 18 HIS HD2 H 1 7.353 0.010 . 1 . . . . . . . . 5922 1 112 . 1 1 18 18 HIS HE1 H 1 8.645 0.010 . 1 . . . . . . . . 5922 1 113 . 1 1 19 19 ASN H H 1 8.065 0.010 . 1 . . . . . . . . 5922 1 114 . 1 1 19 19 ASN HA H 1 4.570 0.010 . 1 . . . . . . . . 5922 1 115 . 1 1 19 19 ASN HB2 H 1 2.766 0.010 . 1 . . . . . . . . 5922 1 116 . 1 1 19 19 ASN HB3 H 1 2.882 0.010 . 1 . . . . . . . . 5922 1 117 . 1 1 19 19 ASN HD21 H 1 6.855 0.010 . 1 . . . . . . . . 5922 1 118 . 1 1 19 19 ASN HD22 H 1 7.458 0.010 . 1 . . . . . . . . 5922 1 119 . 1 1 20 20 LEU H H 1 7.812 0.010 . 1 . . . . . . . . 5922 1 120 . 1 1 20 20 LEU HA H 1 4.118 0.010 . 1 . . . . . . . . 5922 1 121 . 1 1 20 20 LEU HB2 H 1 1.653 0.010 . 1 . . . . . . . . 5922 1 122 . 1 1 20 20 LEU HG H 1 1.602 0.010 . 1 . . . . . . . . 5922 1 123 . 1 1 20 20 LEU HD11 H 1 0.840 0.010 . 1 . . . . . . . . 5922 1 124 . 1 1 20 20 LEU HD12 H 1 0.840 0.010 . 1 . . . . . . . . 5922 1 125 . 1 1 20 20 LEU HD13 H 1 0.840 0.010 . 1 . . . . . . . . 5922 1 126 . 1 1 21 21 GLY H H 1 8.349 0.010 . 1 . . . . . . . . 5922 1 127 . 1 1 21 21 GLY HA2 H 1 3.860 0.010 . 1 . . . . . . . . 5922 1 128 . 1 1 22 22 ASP H H 1 7.934 0.010 . 1 . . . . . . . . 5922 1 129 . 1 1 22 22 ASP HA H 1 4.609 0.010 . 1 . . . . . . . . 5922 1 130 . 1 1 22 22 ASP HB2 H 1 2.958 0.010 . 1 . . . . . . . . 5922 1 131 . 1 1 23 23 GLN H H 1 8.046 0.010 . 1 . . . . . . . . 5922 1 132 . 1 1 23 23 GLN HA H 1 4.329 0.010 . 1 . . . . . . . . 5922 1 133 . 1 1 23 23 GLN HB2 H 1 2.115 0.010 . 1 . . . . . . . . 5922 1 134 . 1 1 23 23 GLN HG2 H 1 2.409 0.010 . 1 . . . . . . . . 5922 1 135 . 1 1 23 23 GLN HE21 H 1 6.717 0.010 . 1 . . . . . . . . 5922 1 136 . 1 1 23 23 GLN HE22 H 1 7.310 0.010 . 1 . . . . . . . . 5922 1 137 . 1 1 24 24 ILE H H 1 7.679 0.010 . 1 . . . . . . . . 5922 1 138 . 1 1 24 24 ILE HA H 1 4.159 0.010 . 1 . . . . . . . . 5922 1 139 . 1 1 24 24 ILE HB H 1 1.968 0.010 . 1 . . . . . . . . 5922 1 140 . 1 1 24 24 ILE HG12 H 1 1.283 0.010 . 1 . . . . . . . . 5922 1 141 . 1 1 24 24 ILE HG13 H 1 1.592 0.010 . 1 . . . . . . . . 5922 1 142 . 1 1 24 24 ILE HG21 H 1 0.976 0.010 . 1 . . . . . . . . 5922 1 143 . 1 1 24 24 ILE HG22 H 1 0.976 0.010 . 1 . . . . . . . . 5922 1 144 . 1 1 24 24 ILE HG23 H 1 0.976 0.010 . 1 . . . . . . . . 5922 1 145 . 1 1 24 24 ILE HD11 H 1 0.887 0.010 . 1 . . . . . . . . 5922 1 146 . 1 1 24 24 ILE HD12 H 1 0.887 0.010 . 1 . . . . . . . . 5922 1 147 . 1 1 24 24 ILE HD13 H 1 0.887 0.010 . 1 . . . . . . . . 5922 1 148 . 1 1 25 25 GLY H H 1 8.015 0.010 . 1 . . . . . . . . 5922 1 149 . 1 1 25 25 GLY HA2 H 1 3.905 0.010 . 1 . . . . . . . . 5922 1 150 . 1 1 25 25 GLY HA3 H 1 3.943 0.010 . 1 . . . . . . . . 5922 1 151 . 1 1 26 26 LYS H H 1 7.832 0.010 . 1 . . . . . . . . 5922 1 152 . 1 1 26 26 LYS HA H 1 4.541 0.010 . 1 . . . . . . . . 5922 1 153 . 1 1 26 26 LYS HB2 H 1 1.717 0.010 . 1 . . . . . . . . 5922 1 154 . 1 1 26 26 LYS HB3 H 1 1.739 0.010 . 1 . . . . . . . . 5922 1 155 . 1 1 26 26 LYS HG2 H 1 1.442 0.010 . 1 . . . . . . . . 5922 1 156 . 1 1 26 26 LYS HG3 H 1 1.461 0.010 . 1 . . . . . . . . 5922 1 157 . 1 1 26 26 LYS HZ1 H 1 7.434 0.010 . 1 . . . . . . . . 5922 1 158 . 1 1 26 26 LYS HZ2 H 1 7.434 0.010 . 1 . . . . . . . . 5922 1 159 . 1 1 26 26 LYS HZ3 H 1 7.434 0.010 . 1 . . . . . . . . 5922 1 160 . 1 1 27 27 PRO HA H 1 4.438 0.010 . 1 . . . . . . . . 5922 1 161 . 1 1 27 27 PRO HB2 H 1 1.858 0.010 . 1 . . . . . . . . 5922 1 162 . 1 1 27 27 PRO HG3 H 1 1.963 0.010 . 1 . . . . . . . . 5922 1 163 . 1 1 27 27 PRO HD2 H 1 3.632 0.010 . 1 . . . . . . . . 5922 1 164 . 1 1 27 27 PRO HD3 H 1 3.782 0.010 . 1 . . . . . . . . 5922 1 165 . 1 1 28 28 TYR H H 1 7.832 0.010 . 1 . . . . . . . . 5922 1 166 . 1 1 28 28 TYR HA H 1 4.531 0.010 . 1 . . . . . . . . 5922 1 167 . 1 1 28 28 TYR HB2 H 1 3.019 0.010 . 1 . . . . . . . . 5922 1 168 . 1 1 28 28 TYR HD1 H 1 7.078 0.010 . 1 . . . . . . . . 5922 1 169 . 1 1 28 28 TYR HE1 H 1 6.813 0.010 . 1 . . . . . . . . 5922 1 170 . 1 1 29 29 ASN H H 1 8.121 0.010 . 1 . . . . . . . . 5922 1 171 . 1 1 29 29 ASN HA H 1 4.697 0.010 . 1 . . . . . . . . 5922 1 172 . 1 1 29 29 ASN HB2 H 1 2.717 0.010 . 1 . . . . . . . . 5922 1 173 . 1 1 29 29 ASN HB3 H 1 2.841 0.010 . 1 . . . . . . . . 5922 1 174 . 1 1 29 29 ASN HD21 H 1 6.851 0.010 . 1 . . . . . . . . 5922 1 175 . 1 1 29 29 ASN HD22 H 1 7.540 0.010 . 1 . . . . . . . . 5922 1 176 . 1 1 30 30 SER H H 1 8.123 0.010 . 1 . . . . . . . . 5922 1 177 . 1 1 30 30 SER HA H 1 4.407 0.010 . 1 . . . . . . . . 5922 1 178 . 1 1 30 30 SER HB2 H 1 3.874 0.010 . 1 . . . . . . . . 5922 1 179 . 1 1 30 30 SER HB3 H 1 3.999 0.010 . 1 . . . . . . . . 5922 1 180 . 1 1 31 31 SER H H 1 8.268 0.010 . 1 . . . . . . . . 5922 1 181 . 1 1 31 31 SER HA H 1 4.444 0.010 . 1 . . . . . . . . 5922 1 182 . 1 1 31 31 SER HB2 H 1 3.950 0.010 . 1 . . . . . . . . 5922 1 183 . 1 1 32 32 GLY H H 1 8.202 0.010 . 1 . . . . . . . . 5922 1 184 . 1 1 32 32 GLY HA2 H 1 3.951 0.010 . 1 . . . . . . . . 5922 1 185 . 1 1 32 32 GLY HA3 H 1 4.027 0.010 . 1 . . . . . . . . 5922 1 186 . 1 1 33 33 LEU H H 1 8.003 0.010 . 1 . . . . . . . . 5922 1 187 . 1 1 33 33 LEU HA H 1 4.358 0.010 . 1 . . . . . . . . 5922 1 188 . 1 1 33 33 LEU HB2 H 1 1.637 0.010 . 1 . . . . . . . . 5922 1 189 . 1 1 33 33 LEU HD11 H 1 0.892 0.010 . 1 . . . . . . . . 5922 1 190 . 1 1 33 33 LEU HD12 H 1 0.892 0.010 . 1 . . . . . . . . 5922 1 191 . 1 1 33 33 LEU HD13 H 1 0.892 0.010 . 1 . . . . . . . . 5922 1 192 . 1 1 33 33 LEU HD21 H 1 0.941 0.010 . 1 . . . . . . . . 5922 1 193 . 1 1 33 33 LEU HD22 H 1 0.941 0.010 . 1 . . . . . . . . 5922 1 194 . 1 1 33 33 LEU HD23 H 1 0.941 0.010 . 1 . . . . . . . . 5922 1 195 . 1 1 33 33 LEU HG H 1 1.599 0.010 . 1 . . . . . . . . 5922 1 196 . 1 1 34 34 GLY H H 1 8.195 0.010 . 1 . . . . . . . . 5922 1 197 . 1 1 34 34 GLY HA2 H 1 3.978 0.010 . 1 . . . . . . . . 5922 1 198 . 1 1 35 35 GLY H H 1 8.062 0.010 . 1 . . . . . . . . 5922 1 199 . 1 1 35 35 GLY HA2 H 1 4.092 0.010 . 1 . . . . . . . . 5922 1 200 . 1 1 36 36 PRO HA H 1 4.461 0.010 . 1 . . . . . . . . 5922 1 201 . 1 1 36 36 PRO HB2 H 1 2.316 0.010 . 1 . . . . . . . . 5922 1 202 . 1 1 36 36 PRO HG2 H 1 1.962 0.010 . 1 . . . . . . . . 5922 1 203 . 1 1 36 36 PRO HG3 H 1 2.039 0.010 . 1 . . . . . . . . 5922 1 204 . 1 1 36 36 PRO HD2 H 1 3.645 0.010 . 1 . . . . . . . . 5922 1 205 . 1 1 36 36 PRO HD3 H 1 3.688 0.010 . 1 . . . . . . . . 5922 1 206 . 1 1 37 37 SER H H 1 8.167 0.010 . 1 . . . . . . . . 5922 1 207 . 1 1 37 37 SER HA H 1 4.476 0.010 . 1 . . . . . . . . 5922 1 208 . 1 1 37 37 SER HB2 H 1 3.915 0.010 . 1 . . . . . . . . 5922 1 209 . 1 1 37 37 SER HB3 H 1 3.973 0.010 . 1 . . . . . . . . 5922 1 210 . 1 1 38 38 ILE H H 1 8.078 0.010 . 1 . . . . . . . . 5922 1 211 . 1 1 38 38 ILE HA H 1 4.040 0.010 . 1 . . . . . . . . 5922 1 212 . 1 1 38 38 ILE HB H 1 2.028 0.010 . 1 . . . . . . . . 5922 1 213 . 1 1 38 38 ILE HG12 H 1 1.311 0.010 . 1 . . . . . . . . 5922 1 214 . 1 1 38 38 ILE HG13 H 1 1.629 0.010 . 1 . . . . . . . . 5922 1 215 . 1 1 38 38 ILE HG21 H 1 1.005 0.010 . 1 . . . . . . . . 5922 1 216 . 1 1 38 38 ILE HG22 H 1 1.005 0.010 . 1 . . . . . . . . 5922 1 217 . 1 1 38 38 ILE HG23 H 1 1.005 0.010 . 1 . . . . . . . . 5922 1 218 . 1 1 38 38 ILE HD11 H 1 0.948 0.010 . 1 . . . . . . . . 5922 1 219 . 1 1 38 38 ILE HD12 H 1 0.948 0.010 . 1 . . . . . . . . 5922 1 220 . 1 1 38 38 ILE HD13 H 1 0.948 0.010 . 1 . . . . . . . . 5922 1 221 . 1 1 39 39 LYS H H 1 8.014 0.010 . 1 . . . . . . . . 5922 1 222 . 1 1 39 39 LYS HA H 1 4.090 0.010 . 1 . . . . . . . . 5922 1 223 . 1 1 39 39 LYS HB2 H 1 1.799 0.010 . 1 . . . . . . . . 5922 1 224 . 1 1 39 39 LYS HB3 H 1 1.853 0.010 . 1 . . . . . . . . 5922 1 225 . 1 1 39 39 LYS HD2 H 1 1.719 0.010 . 1 . . . . . . . . 5922 1 226 . 1 1 39 39 LYS HG2 H 1 1.452 0.010 . 1 . . . . . . . . 5922 1 227 . 1 1 39 39 LYS HE2 H 1 3.010 0.010 . 1 . . . . . . . . 5922 1 228 . 1 1 39 39 LYS HZ1 H 1 7.433 0.010 . 1 . . . . . . . . 5922 1 229 . 1 1 39 39 LYS HZ2 H 1 7.433 0.010 . 1 . . . . . . . . 5922 1 230 . 1 1 39 39 LYS HZ3 H 1 7.433 0.010 . 1 . . . . . . . . 5922 1 231 . 1 1 40 40 ASP H H 1 7.884 0.010 . 1 . . . . . . . . 5922 1 232 . 1 1 40 40 ASP HA H 1 4.618 0.010 . 1 . . . . . . . . 5922 1 233 . 1 1 40 40 ASP HB2 H 1 2.932 0.010 . 1 . . . . . . . . 5922 1 234 . 1 1 41 41 LYS H H 1 7.758 0.010 . 1 . . . . . . . . 5922 1 235 . 1 1 41 41 LYS HA H 1 4.165 0.010 . 1 . . . . . . . . 5922 1 236 . 1 1 41 41 LYS HB2 H 1 1.606 0.010 . 1 . . . . . . . . 5922 1 237 . 1 1 41 41 LYS HB3 H 1 1.700 0.010 . 1 . . . . . . . . 5922 1 238 . 1 1 41 41 LYS HG2 H 1 1.117 0.010 . 1 . . . . . . . . 5922 1 239 . 1 1 41 41 LYS HG3 H 1 1.263 0.010 . 1 . . . . . . . . 5922 1 240 . 1 1 41 41 LYS HD2 H 1 1.621 0.010 . 1 . . . . . . . . 5922 1 241 . 1 1 41 41 LYS HE2 H 1 2.954 0.010 . 1 . . . . . . . . 5922 1 242 . 1 1 41 41 LYS HZ1 H 1 7.413 0.010 . 1 . . . . . . . . 5922 1 243 . 1 1 41 41 LYS HZ2 H 1 7.413 0.010 . 1 . . . . . . . . 5922 1 244 . 1 1 41 41 LYS HZ3 H 1 7.413 0.010 . 1 . . . . . . . . 5922 1 245 . 1 1 42 42 TYR H H 1 7.669 0.010 . 1 . . . . . . . . 5922 1 246 . 1 1 42 42 TYR HA H 1 4.681 0.010 . 1 . . . . . . . . 5922 1 247 . 1 1 42 42 TYR HB2 H 1 2.844 0.010 . 1 . . . . . . . . 5922 1 248 . 1 1 42 42 TYR HB3 H 1 3.159 0.010 . 1 . . . . . . . . 5922 1 249 . 1 1 42 42 TYR HD1 H 1 7.120 0.010 . 1 . . . . . . . . 5922 1 250 . 1 1 42 42 TYR HE1 H 1 6.787 0.010 . 1 . . . . . . . . 5922 1 stop_ save_