################################### # 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 15937 _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 None _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' . . . 15937 1 2 '2D 1H-1H NOESY' . . . 15937 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 LEU HA H 1 3.962 . . 1 . . . . 1 LEU HA . 15937 1 2 . 1 1 1 1 LEU HB2 H 1 1.714 . . 1 . . . . 1 LEU HB2 . 15937 1 3 . 1 1 1 1 LEU HB3 H 1 1.714 . . 1 . . . . 1 LEU HB3 . 15937 1 4 . 1 1 1 1 LEU HD11 H 1 0.968 . . 1 . . . . 1 LEU HD1 . 15937 1 5 . 1 1 1 1 LEU HD12 H 1 0.968 . . 1 . . . . 1 LEU HD1 . 15937 1 6 . 1 1 1 1 LEU HD13 H 1 0.968 . . 1 . . . . 1 LEU HD1 . 15937 1 7 . 1 1 1 1 LEU HD21 H 1 0.968 . . 1 . . . . 1 LEU HD2 . 15937 1 8 . 1 1 1 1 LEU HD22 H 1 0.968 . . 1 . . . . 1 LEU HD2 . 15937 1 9 . 1 1 1 1 LEU HD23 H 1 0.968 . . 1 . . . . 1 LEU HD2 . 15937 1 10 . 1 1 1 1 LEU HG H 1 1.646 . . 1 . . . . 1 LEU HG . 15937 1 11 . 1 1 2 2 TYR H H 1 8.225 . . 1 . . . . 2 TYR H . 15937 1 12 . 1 1 2 2 TYR HA H 1 4.946 . . 1 . . . . 2 TYR HA . 15937 1 13 . 1 1 2 2 TYR HB2 H 1 3.161 . . 2 . . . . 2 TYR HB2 . 15937 1 14 . 1 1 2 2 TYR HB3 H 1 2.946 . . 2 . . . . 2 TYR HB3 . 15937 1 15 . 1 1 2 2 TYR HD1 H 1 7.22 . . 1 . . . . 2 TYR HD1 . 15937 1 16 . 1 1 2 2 TYR HD2 H 1 7.22 . . 1 . . . . 2 TYR HD2 . 15937 1 17 . 1 1 2 2 TYR HE1 H 1 6.898 . . 1 . . . . 2 TYR HE1 . 15937 1 18 . 1 1 2 2 TYR HE2 H 1 6.898 . . 1 . . . . 2 TYR HE2 . 15937 1 19 . 1 1 3 3 PRO HA H 1 4.448 . . 1 . . . . 3 PRO HA . 15937 1 20 . 1 1 3 3 PRO HB2 H 1 2.226 . . 2 . . . . 3 PRO HB2 . 15937 1 21 . 1 1 3 3 PRO HB3 H 1 1.938 . . 2 . . . . 3 PRO HB3 . 15937 1 22 . 1 1 3 3 PRO HD2 H 1 3.783 . . 2 . . . . 3 PRO HD2 . 15937 1 23 . 1 1 3 3 PRO HD3 H 1 3.561 . . 2 . . . . 3 PRO HD3 . 15937 1 24 . 1 1 3 3 PRO HG2 H 1 2.036 . . 1 . . . . 3 PRO HG2 . 15937 1 25 . 1 1 3 3 PRO HG3 H 1 2.036 . . 1 . . . . 3 PRO HG3 . 15937 1 26 . 1 1 4 4 ASP H H 1 8.005 . . 1 . . . . 4 ASP H . 15937 1 27 . 1 1 4 4 ASP HA H 1 4.844 . . 1 . . . . 4 ASP HA . 15937 1 28 . 1 1 4 4 ASP HB2 H 1 3.036 . . 2 . . . . 4 ASP HB2 . 15937 1 29 . 1 1 4 4 ASP HB3 H 1 2.889 . . 2 . . . . 4 ASP HB3 . 15937 1 30 . 1 1 5 5 LEU H H 1 8.208 . . 1 . . . . 5 LEU H . 15937 1 31 . 1 1 5 5 LEU HA H 1 4.222 . . 1 . . . . 5 LEU HA . 15937 1 32 . 1 1 5 5 LEU HB2 H 1 1.759 . . 2 . . . . 5 LEU HB2 . 15937 1 33 . 1 1 5 5 LEU HB3 H 1 1.759 . . 2 . . . . 5 LEU HB3 . 15937 1 34 . 1 1 5 5 LEU HD11 H 1 1.002 . . 2 . . . . 5 LEU HD1 . 15937 1 35 . 1 1 5 5 LEU HD12 H 1 1.002 . . 2 . . . . 5 LEU HD1 . 15937 1 36 . 1 1 5 5 LEU HD13 H 1 1.002 . . 2 . . . . 5 LEU HD1 . 15937 1 37 . 1 1 5 5 LEU HD21 H 1 0.924 . . 2 . . . . 5 LEU HD2 . 15937 1 38 . 1 1 5 5 LEU HD22 H 1 0.924 . . 2 . . . . 5 LEU HD2 . 15937 1 39 . 1 1 5 5 LEU HD23 H 1 0.924 . . 2 . . . . 5 LEU HD2 . 15937 1 40 . 1 1 5 5 LEU HG H 1 1.759 . . 1 . . . . 5 LEU HG . 15937 1 41 . 1 1 6 6 SER H H 1 8.31 . . 1 . . . . 6 SER H . 15937 1 42 . 1 1 6 6 SER HA H 1 4.166 . . 1 . . . . 6 SER HA . 15937 1 43 . 1 1 6 6 SER HB2 H 1 4.019 . . 1 . . . . 6 SER HB2 . 15937 1 44 . 1 1 6 6 SER HB3 H 1 4.019 . . 1 . . . . 6 SER HB3 . 15937 1 45 . 1 1 7 7 GLU H H 1 7.756 . . 1 . . . . 7 GLU H . 15937 1 46 . 1 1 7 7 GLU HA H 1 4.245 . . 1 . . . . 7 GLU HA . 15937 1 47 . 1 1 7 7 GLU HB2 H 1 2.214 . . 1 . . . . 7 GLU HB2 . 15937 1 48 . 1 1 7 7 GLU HB3 H 1 2.214 . . 1 . . . . 7 GLU HB3 . 15937 1 49 . 1 1 7 7 GLU HG2 H 1 2.552 . . 1 . . . . 7 GLU HG2 . 15937 1 50 . 1 1 7 7 GLU HG3 H 1 2.552 . . 1 . . . . 7 GLU HG3 . 15937 1 51 . 1 1 8 8 ILE H H 1 7.745 . . 1 . . . . 8 ILE H . 15937 1 52 . 1 1 8 8 ILE HA H 1 3.838 . . 1 . . . . 8 ILE HA . 15937 1 53 . 1 1 8 8 ILE HB H 1 2.019 . . 1 . . . . 8 ILE HB . 15937 1 54 . 1 1 8 8 ILE HD11 H 1 0.89 . . 1 . . . . 8 ILE HD1 . 15937 1 55 . 1 1 8 8 ILE HD12 H 1 0.89 . . 1 . . . . 8 ILE HD1 . 15937 1 56 . 1 1 8 8 ILE HD13 H 1 0.89 . . 1 . . . . 8 ILE HD1 . 15937 1 57 . 1 1 8 8 ILE HG12 H 1 1.713 . . 2 . . . . 8 ILE HG12 . 15937 1 58 . 1 1 8 8 ILE HG13 H 1 1.25 . . 2 . . . . 8 ILE HG13 . 15937 1 59 . 1 1 8 8 ILE HG21 H 1 0.968 . . 1 . . . . 8 ILE HG2 . 15937 1 60 . 1 1 8 8 ILE HG22 H 1 0.968 . . 1 . . . . 8 ILE HG2 . 15937 1 61 . 1 1 8 8 ILE HG23 H 1 0.968 . . 1 . . . . 8 ILE HG2 . 15937 1 62 . 1 1 9 9 LYS H H 1 8.146 . . 1 . . . . 9 LYS H . 15937 1 63 . 1 1 9 9 LYS HA H 1 4.086 . . 1 . . . . 9 LYS HA . 15937 1 64 . 1 1 9 9 LYS HB2 H 1 1.94 . . 2 . . . . 9 LYS HB2 . 15937 1 65 . 1 1 9 9 LYS HB3 H 1 1.724 . . 2 . . . . 9 LYS HB3 . 15937 1 66 . 1 1 9 9 LYS HD2 H 1 1.626 . . 1 . . . . 9 LYS HD2 . 15937 1 67 . 1 1 9 9 LYS HD3 H 1 1.626 . . 1 . . . . 9 LYS HD3 . 15937 1 68 . 1 1 9 9 LYS HE2 H 1 2.991 . . 1 . . . . 9 LYS HE2 . 15937 1 69 . 1 1 9 9 LYS HE3 H 1 2.991 . . 1 . . . . 9 LYS HE3 . 15937 1 70 . 1 1 9 9 LYS HG2 H 1 1.482 . . 1 . . . . 9 LYS HG2 . 15937 1 71 . 1 1 9 9 LYS HG3 H 1 1.482 . . 1 . . . . 9 LYS HG3 . 15937 1 72 . 1 1 9 9 LYS HZ1 H 1 7.613 . . 1 . . . . 9 LYS HZ . 15937 1 73 . 1 1 9 9 LYS HZ2 H 1 7.613 . . 1 . . . . 9 LYS HZ . 15937 1 74 . 1 1 9 9 LYS HZ3 H 1 7.613 . . 1 . . . . 9 LYS HZ . 15937 1 75 . 1 1 10 10 LYS H H 1 7.847 . . 1 . . . . 10 LYS H . 15937 1 76 . 1 1 10 10 LYS HA H 1 4.132 . . 1 . . . . 10 LYS HA . 15937 1 77 . 1 1 10 10 LYS HB2 H 1 2.028 . . 2 . . . . 10 LYS HB2 . 15937 1 78 . 1 1 10 10 LYS HB3 H 1 1.763 . . 2 . . . . 10 LYS HB3 . 15937 1 79 . 1 1 10 10 LYS HD2 H 1 1.67 . . 1 . . . . 10 LYS HD2 . 15937 1 80 . 1 1 10 10 LYS HD3 H 1 1.67 . . 1 . . . . 10 LYS HD3 . 15937 1 81 . 1 1 10 10 LYS HE2 H 1 3.002 . . 1 . . . . 10 LYS HE2 . 15937 1 82 . 1 1 10 10 LYS HE3 H 1 3.002 . . 1 . . . . 10 LYS HE3 . 15937 1 83 . 1 1 10 10 LYS HG2 H 1 1.467 . . 1 . . . . 10 LYS HG2 . 15937 1 84 . 1 1 10 10 LYS HG3 H 1 1.467 . . 1 . . . . 10 LYS HG3 . 15937 1 85 . 1 1 10 10 LYS HZ1 H 1 7.596 . . 1 . . . . 10 LYS HZ . 15937 1 86 . 1 1 10 10 LYS HZ2 H 1 7.596 . . 1 . . . . 10 LYS HZ . 15937 1 87 . 1 1 10 10 LYS HZ3 H 1 7.596 . . 1 . . . . 10 LYS HZ . 15937 1 88 . 1 1 11 11 GLU H H 1 8.203 . . 1 . . . . 11 GLU H . 15937 1 89 . 1 1 11 11 GLU HA H 1 4.121 . . 1 . . . . 11 GLU HA . 15937 1 90 . 1 1 11 11 GLU HB2 H 1 2.291 . . 2 . . . . 11 GLU HB2 . 15937 1 91 . 1 1 11 11 GLU HB3 H 1 2.201 . . 2 . . . . 11 GLU HB3 . 15937 1 92 . 1 1 11 11 GLU HG2 H 1 2.664 . . 2 . . . . 11 GLU HG2 . 15937 1 93 . 1 1 11 11 GLU HG3 H 1 2.472 . . 2 . . . . 11 GLU HG3 . 15937 1 94 . 1 1 12 12 TYR H H 1 8.592 . . 1 . . . . 12 TYR H . 15937 1 95 . 1 1 12 12 TYR HA H 1 4.211 . . 1 . . . . 12 TYR HA . 15937 1 96 . 1 1 12 12 TYR HB2 H 1 3.172 . . 1 . . . . 12 TYR HB2 . 15937 1 97 . 1 1 12 12 TYR HB3 H 1 3.172 . . 1 . . . . 12 TYR HB3 . 15937 1 98 . 1 1 12 12 TYR HD1 H 1 7.151 . . 1 . . . . 12 TYR HD1 . 15937 1 99 . 1 1 12 12 TYR HD2 H 1 7.151 . . 1 . . . . 12 TYR HD2 . 15937 1 100 . 1 1 12 12 TYR HE1 H 1 6.818 . . 1 . . . . 12 TYR HE1 . 15937 1 101 . 1 1 12 12 TYR HE2 H 1 6.818 . . 1 . . . . 12 TYR HE2 . 15937 1 102 . 1 1 13 13 ASN H H 1 8.166 . . 1 . . . . 13 ASN H . 15937 1 103 . 1 1 13 13 ASN HA H 1 4.516 . . 1 . . . . 13 ASN HA . 15937 1 104 . 1 1 13 13 ASN HB2 H 1 3.06 . . 2 . . . . 13 ASN HB2 . 15937 1 105 . 1 1 13 13 ASN HB3 H 1 2.864 . . 2 . . . . 13 ASN HB3 . 15937 1 106 . 1 1 13 13 ASN HD21 H 1 7.474 . . 2 . . . . 13 ASN HD21 . 15937 1 107 . 1 1 13 13 ASN HD22 H 1 6.801 . . 2 . . . . 13 ASN HD22 . 15937 1 108 . 1 1 14 14 VAL H H 1 8.118 . . 1 . . . . 14 VAL H . 15937 1 109 . 1 1 14 14 VAL HA H 1 3.748 . . 1 . . . . 14 VAL HA . 15937 1 110 . 1 1 14 14 VAL HB H 1 2.245 . . 1 . . . . 14 VAL HB . 15937 1 111 . 1 1 14 14 VAL HG11 H 1 1.126 . . 2 . . . . 14 VAL HG1 . 15937 1 112 . 1 1 14 14 VAL HG12 H 1 1.126 . . 2 . . . . 14 VAL HG1 . 15937 1 113 . 1 1 14 14 VAL HG13 H 1 1.126 . . 2 . . . . 14 VAL HG1 . 15937 1 114 . 1 1 14 14 VAL HG21 H 1 1.014 . . 2 . . . . 14 VAL HG2 . 15937 1 115 . 1 1 14 14 VAL HG22 H 1 1.014 . . 2 . . . . 14 VAL HG2 . 15937 1 116 . 1 1 14 14 VAL HG23 H 1 1.014 . . 2 . . . . 14 VAL HG2 . 15937 1 117 . 1 1 15 15 LYS H H 1 8.146 . . 1 . . . . 15 LYS H . 15937 1 118 . 1 1 15 15 LYS HA H 1 4.086 . . 1 . . . . 15 LYS HA . 15937 1 119 . 1 1 15 15 LYS HB2 H 1 1.941 . . 2 . . . . 15 LYS HB2 . 15937 1 120 . 1 1 15 15 LYS HB3 H 1 1.709 . . 2 . . . . 15 LYS HB3 . 15937 1 121 . 1 1 15 15 LYS HD2 H 1 1.613 . . 1 . . . . 15 LYS HD2 . 15937 1 122 . 1 1 15 15 LYS HD3 H 1 1.613 . . 1 . . . . 15 LYS HD3 . 15937 1 123 . 1 1 15 15 LYS HE2 H 1 3.01 . . 1 . . . . 15 LYS HE2 . 15937 1 124 . 1 1 15 15 LYS HE3 H 1 3.01 . . 1 . . . . 15 LYS HE3 . 15937 1 125 . 1 1 15 15 LYS HG2 H 1 1.478 . . 1 . . . . 15 LYS HG2 . 15937 1 126 . 1 1 15 15 LYS HG3 H 1 1.478 . . 1 . . . . 15 LYS HG3 . 15937 1 127 . 1 1 15 15 LYS HZ1 H 1 7.595 . . 1 . . . . 15 LYS HZ . 15937 1 128 . 1 1 15 15 LYS HZ2 H 1 7.595 . . 1 . . . . 15 LYS HZ . 15937 1 129 . 1 1 15 15 LYS HZ3 H 1 7.595 . . 1 . . . . 15 LYS HZ . 15937 1 130 . 1 1 16 16 GLU H H 1 8.265 . . 1 . . . . 16 GLU H . 15937 1 131 . 1 1 16 16 GLU HA H 1 4.119 . . 1 . . . . 16 GLU HA . 15937 1 132 . 1 1 16 16 GLU HB2 H 1 2.082 . . 1 . . . . 16 GLU HB2 . 15937 1 133 . 1 1 16 16 GLU HB3 H 1 2.082 . . 1 . . . . 16 GLU HB3 . 15937 1 134 . 1 1 16 16 GLU HG2 H 1 2.405 . . 2 . . . . 16 GLU HG2 . 15937 1 135 . 1 1 16 16 GLU HG3 H 1 2.33 . . 2 . . . . 16 GLU HG3 . 15937 1 136 . 1 1 17 17 LYS H H 1 7.982 . . 1 . . . . 17 LYS H . 15937 1 137 . 1 1 17 17 LYS HA H 1 4.076 . . 1 . . . . 17 LYS HA . 15937 1 138 . 1 1 17 17 LYS HB2 H 1 1.985 . . 2 . . . . 17 LYS HB2 . 15937 1 139 . 1 1 17 17 LYS HB3 H 1 1.736 . . 2 . . . . 17 LYS HB3 . 15937 1 140 . 1 1 17 17 LYS HD2 H 1 1.59 . . 1 . . . . 17 LYS HD2 . 15937 1 141 . 1 1 17 17 LYS HD3 H 1 1.59 . . 1 . . . . 17 LYS HD3 . 15937 1 142 . 1 1 17 17 LYS HE2 H 1 3.037 . . 1 . . . . 17 LYS HE2 . 15937 1 143 . 1 1 17 17 LYS HE3 H 1 3.037 . . 1 . . . . 17 LYS HE3 . 15937 1 144 . 1 1 17 17 LYS HG2 H 1 1.515 . . 1 . . . . 17 LYS HG2 . 15937 1 145 . 1 1 17 17 LYS HG3 H 1 1.515 . . 1 . . . . 17 LYS HG3 . 15937 1 146 . 1 1 17 17 LYS HZ1 H 1 7.575 . . 1 . . . . 17 LYS HZ . 15937 1 147 . 1 1 17 17 LYS HZ2 H 1 7.575 . . 1 . . . . 17 LYS HZ . 15937 1 148 . 1 1 17 17 LYS HZ3 H 1 7.575 . . 1 . . . . 17 LYS HZ . 15937 1 149 . 1 1 18 18 ASP H H 1 8.361 . . 1 . . . . 18 ASP H . 15937 1 150 . 1 1 18 18 ASP HA H 1 4.551 . . 1 . . . . 18 ASP HA . 15937 1 151 . 1 1 18 18 ASP HB2 H 1 3.047 . . 2 . . . . 18 ASP HB2 . 15937 1 152 . 1 1 18 18 ASP HB3 H 1 2.945 . . 2 . . . . 18 ASP HB3 . 15937 1 153 . 1 1 19 19 GLN H H 1 8.073 . . 1 . . . . 19 GLN H . 15937 1 154 . 1 1 19 19 GLN HA H 1 4.234 . . 1 . . . . 19 GLN HA . 15937 1 155 . 1 1 19 19 GLN HB2 H 1 2.246 . . 1 . . . . 19 GLN HB2 . 15937 1 156 . 1 1 19 19 GLN HB3 H 1 2.246 . . 1 . . . . 19 GLN HB3 . 15937 1 157 . 1 1 19 19 GLN HE21 H 1 7.129 . . 2 . . . . 19 GLN HE21 . 15937 1 158 . 1 1 19 19 GLN HE22 H 1 6.672 . . 2 . . . . 19 GLN HE22 . 15937 1 159 . 1 1 19 19 GLN HG2 H 1 2.506 . . 2 . . . . 19 GLN HG2 . 15937 1 160 . 1 1 19 19 GLN HG3 H 1 2.427 . . 2 . . . . 19 GLN HG3 . 15937 1 161 . 1 1 20 20 VAL H H 1 8.05 . . 1 . . . . 20 VAL H . 15937 1 162 . 1 1 20 20 VAL HA H 1 3.872 . . 1 . . . . 20 VAL HA . 15937 1 163 . 1 1 20 20 VAL HB H 1 2.239 . . 1 . . . . 20 VAL HB . 15937 1 164 . 1 1 20 20 VAL HG11 H 1 1.093 . . 2 . . . . 20 VAL HG1 . 15937 1 165 . 1 1 20 20 VAL HG12 H 1 1.093 . . 2 . . . . 20 VAL HG1 . 15937 1 166 . 1 1 20 20 VAL HG13 H 1 1.093 . . 2 . . . . 20 VAL HG1 . 15937 1 167 . 1 1 20 20 VAL HG21 H 1 1.002 . . 2 . . . . 20 VAL HG2 . 15937 1 168 . 1 1 20 20 VAL HG22 H 1 1.002 . . 2 . . . . 20 VAL HG2 . 15937 1 169 . 1 1 20 20 VAL HG23 H 1 1.002 . . 2 . . . . 20 VAL HG2 . 15937 1 170 . 1 1 21 21 GLU H H 1 8.265 . . 1 . . . . 21 GLU H . 15937 1 171 . 1 1 21 21 GLU HA H 1 4.211 . . 1 . . . . 21 GLU HA . 15937 1 172 . 1 1 21 21 GLU HB2 H 1 2.213 . . 1 . . . . 21 GLU HB2 . 15937 1 173 . 1 1 21 21 GLU HB3 H 1 2.213 . . 1 . . . . 21 GLU HB3 . 15937 1 174 . 1 1 21 21 GLU HG2 H 1 2.63 . . 2 . . . . 21 GLU HG2 . 15937 1 175 . 1 1 21 21 GLU HG3 H 1 2.518 . . 2 . . . . 21 GLU HG3 . 15937 1 176 . 1 1 22 22 ASP H H 1 8.214 . . 1 . . . . 22 ASP H . 15937 1 177 . 1 1 22 22 ASP HA H 1 4.618 . . 1 . . . . 22 ASP HA . 15937 1 178 . 1 1 22 22 ASP HB2 H 1 3.038 . . 2 . . . . 22 ASP HB2 . 15937 1 179 . 1 1 22 22 ASP HB3 H 1 2.972 . . 2 . . . . 22 ASP HB3 . 15937 1 180 . 1 1 23 23 LEU H H 1 8.011 . . 1 . . . . 23 LEU H . 15937 1 181 . 1 1 23 23 LEU HA H 1 4.268 . . 1 . . . . 23 LEU HA . 15937 1 182 . 1 1 23 23 LEU HB2 H 1 1.862 . . 2 . . . . 23 LEU HB2 . 15937 1 183 . 1 1 23 23 LEU HB3 H 1 1.798 . . 2 . . . . 23 LEU HB3 . 15937 1 184 . 1 1 23 23 LEU HD11 H 1 0.946 . . 1 . . . . 23 LEU HD1 . 15937 1 185 . 1 1 23 23 LEU HD12 H 1 0.946 . . 1 . . . . 23 LEU HD1 . 15937 1 186 . 1 1 23 23 LEU HD13 H 1 0.946 . . 1 . . . . 23 LEU HD1 . 15937 1 187 . 1 1 23 23 LEU HD21 H 1 0.946 . . 1 . . . . 23 LEU HD2 . 15937 1 188 . 1 1 23 23 LEU HD22 H 1 0.946 . . 1 . . . . 23 LEU HD2 . 15937 1 189 . 1 1 23 23 LEU HD23 H 1 0.946 . . 1 . . . . 23 LEU HD2 . 15937 1 190 . 1 1 23 23 LEU HG H 1 1.658 . . 1 . . . . 23 LEU HG . 15937 1 191 . 1 1 24 24 ASN H H 1 8.146 . . 1 . . . . 24 ASN H . 15937 1 192 . 1 1 24 24 ASN HA H 1 4.63 . . 1 . . . . 24 ASN HA . 15937 1 193 . 1 1 24 24 ASN HB2 H 1 2.878 . . 1 . . . . 24 ASN HB2 . 15937 1 194 . 1 1 24 24 ASN HB3 H 1 2.878 . . 1 . . . . 24 ASN HB3 . 15937 1 195 . 1 1 24 24 ASN HD21 H 1 7.417 . . 2 . . . . 24 ASN HD21 . 15937 1 196 . 1 1 24 24 ASN HD22 H 1 6.621 . . 2 . . . . 24 ASN HD22 . 15937 1 197 . 1 1 25 25 LEU H H 1 8.163 . . 1 . . . . 25 LEU H . 15937 1 198 . 1 1 25 25 LEU HA H 1 4.2 . . 1 . . . . 25 LEU HA . 15937 1 199 . 1 1 25 25 LEU HB2 H 1 1.782 . . 1 . . . . 25 LEU HB2 . 15937 1 200 . 1 1 25 25 LEU HB3 H 1 1.782 . . 1 . . . . 25 LEU HB3 . 15937 1 201 . 1 1 25 25 LEU HD11 H 1 0.978 . . 2 . . . . 25 LEU HD1 . 15937 1 202 . 1 1 25 25 LEU HD12 H 1 0.978 . . 2 . . . . 25 LEU HD1 . 15937 1 203 . 1 1 25 25 LEU HD13 H 1 0.978 . . 2 . . . . 25 LEU HD1 . 15937 1 204 . 1 1 25 25 LEU HD21 H 1 0.89 . . 2 . . . . 25 LEU HD2 . 15937 1 205 . 1 1 25 25 LEU HD22 H 1 0.89 . . 2 . . . . 25 LEU HD2 . 15937 1 206 . 1 1 25 25 LEU HD23 H 1 0.89 . . 2 . . . . 25 LEU HD2 . 15937 1 207 . 1 1 25 25 LEU HG H 1 1.601 . . 1 . . . . 25 LEU HG . 15937 1 208 . 1 1 26 26 ASP H H 1 8.27 . . 1 . . . . 26 ASP H . 15937 1 209 . 1 1 26 26 ASP HA H 1 4.527 . . 1 . . . . 26 ASP HA . 15937 1 210 . 1 1 26 26 ASP HB2 H 1 2.978 . . 2 . . . . 26 ASP HB2 . 15937 1 211 . 1 1 26 26 ASP HB3 H 1 2.926 . . 2 . . . . 26 ASP HB3 . 15937 1 212 . 1 1 27 27 SER H H 1 7.954 . . 1 . . . . 27 SER H . 15937 1 213 . 1 1 27 27 SER HA H 1 4.324 . . 1 . . . . 27 SER HA . 15937 1 214 . 1 1 27 27 SER HB2 H 1 3.985 . . 2 . . . . 27 SER HB2 . 15937 1 215 . 1 1 27 27 SER HB3 H 1 3.934 . . 2 . . . . 27 SER HB3 . 15937 1 216 . 1 1 28 28 LEU H H 1 7.745 . . 1 . . . . 28 LEU H . 15937 1 217 . 1 1 28 28 LEU HA H 1 4.222 . . 1 . . . . 28 LEU HA . 15937 1 218 . 1 1 28 28 LEU HB2 H 1 1.672 . . 1 . . . . 28 LEU HB2 . 15937 1 219 . 1 1 28 28 LEU HB3 H 1 1.672 . . 1 . . . . 28 LEU HB3 . 15937 1 220 . 1 1 28 28 LEU HD11 H 1 0.915 . . 2 . . . . 28 LEU HD1 . 15937 1 221 . 1 1 28 28 LEU HD12 H 1 0.915 . . 2 . . . . 28 LEU HD1 . 15937 1 222 . 1 1 28 28 LEU HD13 H 1 0.915 . . 2 . . . . 28 LEU HD1 . 15937 1 223 . 1 1 28 28 LEU HD21 H 1 0.835 . . 2 . . . . 28 LEU HD2 . 15937 1 224 . 1 1 28 28 LEU HD22 H 1 0.835 . . 2 . . . . 28 LEU HD2 . 15937 1 225 . 1 1 28 28 LEU HD23 H 1 0.835 . . 2 . . . . 28 LEU HD2 . 15937 1 226 . 1 1 28 28 LEU HG H 1 1.48 . . 1 . . . . 28 LEU HG . 15937 1 227 . 1 1 29 29 TRP H H 1 7.694 . . 1 . . . . 29 TRP H . 15937 1 228 . 1 1 29 29 TRP HA H 1 4.697 . . 1 . . . . 29 TRP HA . 15937 1 229 . 1 1 29 29 TRP HB2 H 1 3.364 . . 1 . . . . 29 TRP HB2 . 15937 1 230 . 1 1 29 29 TRP HB3 H 1 3.364 . . 1 . . . . 29 TRP HB3 . 15937 1 231 . 1 1 29 29 TRP HD1 H 1 7.265 . . 1 . . . . 29 TRP HD1 . 15937 1 232 . 1 1 29 29 TRP HE1 H 1 9.683 . . 1 . . . . 29 TRP HE1 . 15937 1 233 . 1 1 29 29 TRP HE3 H 1 7.732 . . 1 . . . . 29 TRP HE3 . 15937 1 234 . 1 1 29 29 TRP HH2 H 1 7.152 . . 1 . . . . 29 TRP HH2 . 15937 1 235 . 1 1 29 29 TRP HZ2 H 1 7.457 . . 1 . . . . 29 TRP HZ2 . 15937 1 236 . 1 1 29 29 TRP HZ3 H 1 7.219 . . 1 . . . . 29 TRP HZ3 . 15937 1 237 . 1 1 30 30 GLU H H 1 7.768 . . 1 . . . . 30 GLU H . 15937 1 238 . 1 1 30 30 GLU HA H 1 4.245 . . 1 . . . . 30 GLU HA . 15937 1 239 . 1 1 30 30 GLU HB2 H 1 2.114 . . 2 . . . . 30 GLU HB2 . 15937 1 240 . 1 1 30 30 GLU HB3 H 1 1.942 . . 2 . . . . 30 GLU HB3 . 15937 1 241 . 1 1 30 30 GLU HG2 H 1 2.303 . . 1 . . . . 30 GLU HG2 . 15937 1 242 . 1 1 30 30 GLU HG3 H 1 2.303 . . 1 . . . . 30 GLU HG3 . 15937 1 stop_ save_