################################### # 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 15730 _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' . . . 15730 1 2 '2D 1H-1H NOESY' . . . 15730 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 ASN HA H 1 3.969 . . 1 . . . . 1 ASN HA . 15730 1 2 . 1 1 1 1 ASN HB2 H 1 3.092 . . 2 . . . . 1 ASN HB2 . 15730 1 3 . 1 1 1 1 ASN HB3 H 1 2.885 . . 2 . . . . 1 ASN HB3 . 15730 1 4 . 1 1 1 1 ASN HD21 H 1 7.636 . . 2 . . . . 1 ASN HD21 . 15730 1 5 . 1 1 1 1 ASN HD22 H 1 5.676 . . 2 . . . . 1 ASN HD22 . 15730 1 6 . 1 1 2 2 GLU H H 1 9.059 . . 1 . . . . 2 GLU H . 15730 1 7 . 1 1 2 2 GLU HA H 1 3.857 . . 1 . . . . 2 GLU HA . 15730 1 8 . 1 1 2 2 GLU HB2 H 1 2.110 . . 2 . . . . 2 GLU HB2 . 15730 1 9 . 1 1 2 2 GLU HB3 H 1 1.976 . . 2 . . . . 2 GLU HB3 . 15730 1 10 . 1 1 2 2 GLU HG3 H 1 2.202 . . 2 . . . . 2 GLU HG3 . 15730 1 11 . 1 1 3 3 CYS H H 1 8.529 . . 1 . . . . 3 CYS H . 15730 1 12 . 1 1 3 3 CYS HA H 1 3.928 . . 1 . . . . 3 CYS HA . 15730 1 13 . 1 1 3 3 CYS HB2 H 1 3.106 . . 2 . . . . 3 CYS HB2 . 15730 1 14 . 1 1 3 3 CYS HB3 H 1 2.966 . . 2 . . . . 3 CYS HB3 . 15730 1 15 . 1 1 4 4 VAL H H 1 7.279 . . 1 . . . . 4 VAL H . 15730 1 16 . 1 1 4 4 VAL HA H 1 3.906 . . 1 . . . . 4 VAL HA . 15730 1 17 . 1 1 4 4 VAL HB H 1 1.627 . . 1 . . . . 4 VAL HB . 15730 1 18 . 1 1 4 4 VAL HG11 H 1 0.893 . . 2 . . . . 4 VAL HG1 . 15730 1 19 . 1 1 4 4 VAL HG12 H 1 0.893 . . 2 . . . . 4 VAL HG1 . 15730 1 20 . 1 1 4 4 VAL HG13 H 1 0.893 . . 2 . . . . 4 VAL HG1 . 15730 1 21 . 1 1 4 4 VAL HG21 H 1 0.945 . . 2 . . . . 4 VAL HG2 . 15730 1 22 . 1 1 4 4 VAL HG22 H 1 0.945 . . 2 . . . . 4 VAL HG2 . 15730 1 23 . 1 1 4 4 VAL HG23 H 1 0.945 . . 2 . . . . 4 VAL HG2 . 15730 1 24 . 1 1 5 5 SER H H 1 8.564 . . 1 . . . . 5 SER H . 15730 1 25 . 1 1 5 5 SER HA H 1 4.120 . . 1 . . . . 5 SER HA . 15730 1 26 . 1 1 5 5 SER HB2 H 1 3.869 . . 2 . . . . 5 SER HB2 . 15730 1 27 . 1 1 5 5 SER HB3 H 1 3.869 . . 2 . . . . 5 SER HB3 . 15730 1 28 . 1 1 6 6 LYS H H 1 7.586 . . 1 . . . . 6 LYS H . 15730 1 29 . 1 1 6 6 LYS HA H 1 4.023 . . 1 . . . . 6 LYS HA . 15730 1 30 . 1 1 6 6 LYS HB2 H 1 1.755 . . 2 . . . . 6 LYS HB2 . 15730 1 31 . 1 1 6 6 LYS HB3 H 1 1.614 . . 2 . . . . 6 LYS HB3 . 15730 1 32 . 1 1 6 6 LYS HG2 H 1 1.117 . . 2 . . . . 6 LYS HG2 . 15730 1 33 . 1 1 6 6 LYS HG3 H 1 0.769 . . 2 . . . . 6 LYS HG3 . 15730 1 34 . 1 1 7 7 GLY H H 1 7.705 . . 1 . . . . 7 GLY H . 15730 1 35 . 1 1 7 7 GLY HA2 H 1 3.757 . . 2 . . . . 7 GLY HA2 . 15730 1 36 . 1 1 7 7 GLY HA3 H 1 3.487 . . 2 . . . . 7 GLY HA3 . 15730 1 37 . 1 1 8 8 PHE H H 1 7.576 . . 1 . . . . 8 PHE H . 15730 1 38 . 1 1 8 8 PHE HA H 1 5.050 . . 1 . . . . 8 PHE HA . 15730 1 39 . 1 1 8 8 PHE HB2 H 1 3.525 . . 2 . . . . 8 PHE HB2 . 15730 1 40 . 1 1 8 8 PHE HB3 H 1 2.836 . . 2 . . . . 8 PHE HB3 . 15730 1 41 . 1 1 8 8 PHE HD1 H 1 7.123 . . 3 . . . . 8 PHE HD1 . 15730 1 42 . 1 1 8 8 PHE HD2 H 1 7.123 . . 3 . . . . 8 PHE HD2 . 15730 1 43 . 1 1 8 8 PHE HE1 H 1 7.210 . . 3 . . . . 8 PHE HE1 . 15730 1 44 . 1 1 8 8 PHE HE2 H 1 7.210 . . 3 . . . . 8 PHE HE2 . 15730 1 45 . 1 1 9 9 GLY H H 1 7.746 . . 1 . . . . 9 GLY H . 15730 1 46 . 1 1 9 9 GLY HA2 H 1 4.505 . . 2 . . . . 9 GLY HA2 . 15730 1 47 . 1 1 9 9 GLY HA3 H 1 3.688 . . 2 . . . . 9 GLY HA3 . 15730 1 48 . 1 1 10 10 CYS H H 1 8.493 . . 1 . . . . 10 CYS H . 15730 1 49 . 1 1 10 10 CYS HA H 1 5.537 . . 1 . . . . 10 CYS HA . 15730 1 50 . 1 1 10 10 CYS HB2 H 1 2.974 . . 2 . . . . 10 CYS HB2 . 15730 1 51 . 1 1 10 10 CYS HB3 H 1 2.571 . . 2 . . . . 10 CYS HB3 . 15730 1 52 . 1 1 11 11 LEU H H 1 9.177 . . 1 . . . . 11 LEU H . 15730 1 53 . 1 1 11 11 LEU HA H 1 4.896 . . 1 . . . . 11 LEU HA . 15730 1 54 . 1 1 11 11 LEU HB2 H 1 1.194 . . 2 . . . . 11 LEU HB2 . 15730 1 55 . 1 1 11 11 LEU HB3 H 1 1.418 . . 2 . . . . 11 LEU HB3 . 15730 1 56 . 1 1 11 11 LEU HD11 H 1 0.806 . . 2 . . . . 11 LEU HD1 . 15730 1 57 . 1 1 11 11 LEU HD12 H 1 0.806 . . 2 . . . . 11 LEU HD1 . 15730 1 58 . 1 1 11 11 LEU HD13 H 1 0.806 . . 2 . . . . 11 LEU HD1 . 15730 1 59 . 1 1 11 11 LEU HD21 H 1 0.938 . . 2 . . . . 11 LEU HD2 . 15730 1 60 . 1 1 11 11 LEU HD22 H 1 0.938 . . 2 . . . . 11 LEU HD2 . 15730 1 61 . 1 1 11 11 LEU HD23 H 1 0.938 . . 2 . . . . 11 LEU HD2 . 15730 1 62 . 1 1 11 11 LEU HG H 1 1.510 . . 1 . . . . 11 LEU HG . 15730 1 63 . 1 1 12 12 PRO HA H 1 4.272 . . 1 . . . . 12 PRO HA . 15730 1 64 . 1 1 12 12 PRO HB2 H 1 2.340 . . 2 . . . . 12 PRO HB2 . 15730 1 65 . 1 1 12 12 PRO HD2 H 1 3.788 . . 2 . . . . 12 PRO HD2 . 15730 1 66 . 1 1 12 12 PRO HD3 H 1 3.512 . . 2 . . . . 12 PRO HD3 . 15730 1 67 . 1 1 12 12 PRO HG2 H 1 1.912 . . 2 . . . . 12 PRO HG2 . 15730 1 68 . 1 1 12 12 PRO HG3 H 1 2.019 . . 2 . . . . 12 PRO HG3 . 15730 1 69 . 1 1 13 13 GLN H H 1 9.280 . . 1 . . . . 13 GLN H . 15730 1 70 . 1 1 13 13 GLN HA H 1 3.629 . . 1 . . . . 13 GLN HA . 15730 1 71 . 1 1 13 13 GLN HB2 H 1 1.989 . . 2 . . . . 13 GLN HB2 . 15730 1 72 . 1 1 13 13 GLN HB3 H 1 1.937 . . 2 . . . . 13 GLN HB3 . 15730 1 73 . 1 1 13 13 GLN HG2 H 1 2.351 . . 2 . . . . 13 GLN HG2 . 15730 1 74 . 1 1 13 13 GLN HG3 H 1 2.174 . . 2 . . . . 13 GLN HG3 . 15730 1 75 . 1 1 14 14 SER H H 1 8.203 . . 1 . . . . 14 SER H . 15730 1 76 . 1 1 14 14 SER HA H 1 3.947 . . 1 . . . . 14 SER HA . 15730 1 77 . 1 1 14 14 SER HB2 H 1 3.816 . . 2 . . . . 14 SER HB2 . 15730 1 78 . 1 1 14 14 SER HB3 H 1 3.720 . . 2 . . . . 14 SER HB3 . 15730 1 79 . 1 1 15 15 ASP H H 1 7.721 . . 1 . . . . 15 ASP H . 15730 1 80 . 1 1 15 15 ASP HA H 1 4.758 . . 1 . . . . 15 ASP HA . 15730 1 81 . 1 1 15 15 ASP HB2 H 1 2.916 . . 2 . . . . 15 ASP HB2 . 15730 1 82 . 1 1 15 15 ASP HB3 H 1 2.501 . . 2 . . . . 15 ASP HB3 . 15730 1 83 . 1 1 16 16 CYS H H 1 7.288 . . 1 . . . . 16 CYS H . 15730 1 84 . 1 1 16 16 CYS HA H 1 5.089 . . 1 . . . . 16 CYS HA . 15730 1 85 . 1 1 16 16 CYS HB2 H 1 3.082 . . 2 . . . . 16 CYS HB2 . 15730 1 86 . 1 1 16 16 CYS HB3 H 1 2.224 . . 2 . . . . 16 CYS HB3 . 15730 1 87 . 1 1 17 17 PRO HA H 1 4.378 . . 1 . . . . 17 PRO HA . 15730 1 88 . 1 1 17 17 PRO HB2 H 1 2.348 . . 2 . . . . 17 PRO HB2 . 15730 1 89 . 1 1 17 17 PRO HB3 H 1 2.223 . . 2 . . . . 17 PRO HB3 . 15730 1 90 . 1 1 17 17 PRO HD2 H 1 3.772 . . 2 . . . . 17 PRO HD2 . 15730 1 91 . 1 1 17 17 PRO HD3 H 1 3.411 . . 2 . . . . 17 PRO HD3 . 15730 1 92 . 1 1 17 17 PRO HG2 H 1 1.866 . . 2 . . . . 17 PRO HG2 . 15730 1 93 . 1 1 17 17 PRO HG3 H 1 1.945 . . 2 . . . . 17 PRO HG3 . 15730 1 94 . 1 1 18 18 GLN H H 1 8.730 . . 1 . . . . 18 GLN H . 15730 1 95 . 1 1 18 18 GLN HA H 1 3.438 . . 1 . . . . 18 GLN HA . 15730 1 96 . 1 1 18 18 GLN HB2 H 1 1.924 . . 2 . . . . 18 GLN HB2 . 15730 1 97 . 1 1 18 18 GLN HB3 H 1 1.860 . . 2 . . . . 18 GLN HB3 . 15730 1 98 . 1 1 18 18 GLN HG2 H 1 2.292 . . 2 . . . . 18 GLN HG2 . 15730 1 99 . 1 1 18 18 GLN HG3 H 1 2.039 . . 2 . . . . 18 GLN HG3 . 15730 1 100 . 1 1 19 19 GLU H H 1 9.154 . . 1 . . . . 19 GLU H . 15730 1 101 . 1 1 19 19 GLU HA H 1 4.099 . . 1 . . . . 19 GLU HA . 15730 1 102 . 1 1 19 19 GLU HB2 H 1 2.002 . . 2 . . . . 19 GLU HB2 . 15730 1 103 . 1 1 19 19 GLU HG2 H 1 2.285 . . 2 . . . . 19 GLU HG2 . 15730 1 104 . 1 1 20 20 ALA H H 1 8.185 . . 1 . . . . 20 ALA H . 15730 1 105 . 1 1 20 20 ALA HA H 1 4.405 . . 1 . . . . 20 ALA HA . 15730 1 106 . 1 1 20 20 ALA HB1 H 1 1.395 . . 1 . . . . 20 ALA HB . 15730 1 107 . 1 1 20 20 ALA HB2 H 1 1.395 . . 1 . . . . 20 ALA HB . 15730 1 108 . 1 1 20 20 ALA HB3 H 1 1.395 . . 1 . . . . 20 ALA HB . 15730 1 109 . 1 1 21 21 ARG H H 1 7.038 . . 1 . . . . 21 ARG H . 15730 1 110 . 1 1 21 21 ARG HA H 1 4.475 . . 1 . . . . 21 ARG HA . 15730 1 111 . 1 1 21 21 ARG HB2 H 1 1.714 . . 2 . . . . 21 ARG HB2 . 15730 1 112 . 1 1 21 21 ARG HB3 H 1 1.714 . . 2 . . . . 21 ARG HB3 . 15730 1 113 . 1 1 21 21 ARG HD2 H 1 3.140 . . 2 . . . . 21 ARG HD2 . 15730 1 114 . 1 1 21 21 ARG HD3 H 1 2.953 . . 2 . . . . 21 ARG HD3 . 15730 1 115 . 1 1 21 21 ARG HE H 1 6.891 . . 1 . . . . 21 ARG HE . 15730 1 116 . 1 1 21 21 ARG HG2 H 1 1.842 . . 2 . . . . 21 ARG HG2 . 15730 1 117 . 1 1 21 21 ARG HG3 H 1 1.400 . . 2 . . . . 21 ARG HG3 . 15730 1 118 . 1 1 22 22 LEU H H 1 8.400 . . 1 . . . . 22 LEU H . 15730 1 119 . 1 1 22 22 LEU HA H 1 4.506 . . 1 . . . . 22 LEU HA . 15730 1 120 . 1 1 22 22 LEU HB2 H 1 0.915 . . 2 . . . . 22 LEU HB2 . 15730 1 121 . 1 1 22 22 LEU HB3 H 1 0.915 . . 2 . . . . 22 LEU HB3 . 15730 1 122 . 1 1 22 22 LEU HD11 H 1 0.456 . . 2 . . . . 22 LEU HD1 . 15730 1 123 . 1 1 22 22 LEU HD12 H 1 0.456 . . 2 . . . . 22 LEU HD1 . 15730 1 124 . 1 1 22 22 LEU HD13 H 1 0.456 . . 2 . . . . 22 LEU HD1 . 15730 1 125 . 1 1 22 22 LEU HD21 H 1 -0.099 . . 2 . . . . 22 LEU HD2 . 15730 1 126 . 1 1 22 22 LEU HD22 H 1 -0.099 . . 2 . . . . 22 LEU HD2 . 15730 1 127 . 1 1 22 22 LEU HD23 H 1 -0.099 . . 2 . . . . 22 LEU HD2 . 15730 1 128 . 1 1 22 22 LEU HG H 1 1.169 . . 1 . . . . 22 LEU HG . 15730 1 129 . 1 1 23 23 SER H H 1 8.250 . . 1 . . . . 23 SER H . 15730 1 130 . 1 1 23 23 SER HA H 1 4.229 . . 1 . . . . 23 SER HA . 15730 1 131 . 1 1 23 23 SER HB2 H 1 3.677 . . 2 . . . . 23 SER HB2 . 15730 1 132 . 1 1 23 23 SER HB3 H 1 3.622 . . 2 . . . . 23 SER HB3 . 15730 1 133 . 1 1 24 24 TYR H H 1 5.971 . . 1 . . . . 24 TYR H . 15730 1 134 . 1 1 24 24 TYR HA H 1 4.468 . . 1 . . . . 24 TYR HA . 15730 1 135 . 1 1 24 24 TYR HB2 H 1 2.945 . . 2 . . . . 24 TYR HB2 . 15730 1 136 . 1 1 24 24 TYR HB3 H 1 2.887 . . 2 . . . . 24 TYR HB3 . 15730 1 137 . 1 1 24 24 TYR HD1 H 1 7.056 . . 3 . . . . 24 TYR HD1 . 15730 1 138 . 1 1 24 24 TYR HD2 H 1 7.056 . . 3 . . . . 24 TYR HD2 . 15730 1 139 . 1 1 24 24 TYR HE1 H 1 6.812 . . 3 . . . . 24 TYR HE1 . 15730 1 140 . 1 1 24 24 TYR HE2 H 1 6.812 . . 3 . . . . 24 TYR HE2 . 15730 1 141 . 1 1 25 25 GLY H H 1 8.867 . . 1 . . . . 25 GLY H . 15730 1 142 . 1 1 25 25 GLY HA2 H 1 4.320 . . 2 . . . . 25 GLY HA2 . 15730 1 143 . 1 1 25 25 GLY HA3 H 1 3.881 . . 2 . . . . 25 GLY HA3 . 15730 1 144 . 1 1 26 26 GLY H H 1 8.066 . . 1 . . . . 26 GLY H . 15730 1 145 . 1 1 26 26 GLY HA2 H 1 4.692 . . 2 . . . . 26 GLY HA2 . 15730 1 146 . 1 1 26 26 GLY HA3 H 1 3.455 . . 2 . . . . 26 GLY HA3 . 15730 1 147 . 1 1 27 27 CYS H H 1 8.929 . . 1 . . . . 27 CYS H . 15730 1 148 . 1 1 27 27 CYS HA H 1 4.944 . . 1 . . . . 27 CYS HA . 15730 1 149 . 1 1 27 27 CYS HB2 H 1 2.660 . . 2 . . . . 27 CYS HB2 . 15730 1 150 . 1 1 27 27 CYS HB3 H 1 2.575 . . 2 . . . . 27 CYS HB3 . 15730 1 151 . 1 1 28 28 SER H H 1 9.181 . . 1 . . . . 28 SER H . 15730 1 152 . 1 1 28 28 SER HA H 1 4.433 . . 1 . . . . 28 SER HA . 15730 1 153 . 1 1 28 28 SER HB2 H 1 3.851 . . 2 . . . . 28 SER HB2 . 15730 1 154 . 1 1 28 28 SER HB3 H 1 3.907 . . 2 . . . . 28 SER HB3 . 15730 1 155 . 1 1 29 29 THR H H 1 6.811 . . 1 . . . . 29 THR H . 15730 1 156 . 1 1 29 29 THR HA H 1 4.284 . . 1 . . . . 29 THR HA . 15730 1 157 . 1 1 29 29 THR HB H 1 4.441 . . 1 . . . . 29 THR HB . 15730 1 158 . 1 1 29 29 THR HG21 H 1 1.054 . . 1 . . . . 29 THR HG2 . 15730 1 159 . 1 1 29 29 THR HG22 H 1 1.054 . . 1 . . . . 29 THR HG2 . 15730 1 160 . 1 1 29 29 THR HG23 H 1 1.054 . . 1 . . . . 29 THR HG2 . 15730 1 161 . 1 1 30 30 VAL H H 1 8.340 . . 1 . . . . 30 VAL H . 15730 1 162 . 1 1 30 30 VAL HA H 1 4.444 . . 1 . . . . 30 VAL HA . 15730 1 163 . 1 1 30 30 VAL HB H 1 2.100 . . 1 . . . . 30 VAL HB . 15730 1 164 . 1 1 30 30 VAL HG11 H 1 0.954 . . 2 . . . . 30 VAL HG1 . 15730 1 165 . 1 1 30 30 VAL HG12 H 1 0.954 . . 2 . . . . 30 VAL HG1 . 15730 1 166 . 1 1 30 30 VAL HG13 H 1 0.954 . . 2 . . . . 30 VAL HG1 . 15730 1 167 . 1 1 30 30 VAL HG21 H 1 0.854 . . 2 . . . . 30 VAL HG2 . 15730 1 168 . 1 1 30 30 VAL HG22 H 1 0.854 . . 2 . . . . 30 VAL HG2 . 15730 1 169 . 1 1 30 30 VAL HG23 H 1 0.854 . . 2 . . . . 30 VAL HG2 . 15730 1 170 . 1 1 31 31 CYS H H 1 8.636 . . 1 . . . . 31 CYS H . 15730 1 171 . 1 1 31 31 CYS HA H 1 4.955 . . 1 . . . . 31 CYS HA . 15730 1 172 . 1 1 31 31 CYS HB2 H 1 2.978 . . 2 . . . . 31 CYS HB2 . 15730 1 173 . 1 1 31 31 CYS HB3 H 1 2.849 . . 2 . . . . 31 CYS HB3 . 15730 1 174 . 1 1 32 32 CYS H H 1 9.685 . . 1 . . . . 32 CYS H . 15730 1 175 . 1 1 32 32 CYS HA H 1 5.068 . . 1 . . . . 32 CYS HA . 15730 1 176 . 1 1 32 32 CYS HB2 H 1 3.010 . . 2 . . . . 32 CYS HB2 . 15730 1 177 . 1 1 32 32 CYS HB3 H 1 2.473 . . 2 . . . . 32 CYS HB3 . 15730 1 178 . 1 1 33 33 ASP H H 1 9.246 . . 1 . . . . 33 ASP H . 15730 1 179 . 1 1 33 33 ASP HA H 1 4.846 . . 1 . . . . 33 ASP HA . 15730 1 180 . 1 1 33 33 ASP HB2 H 1 2.879 . . 2 . . . . 33 ASP HB2 . 15730 1 181 . 1 1 33 33 ASP HB3 H 1 2.149 . . 2 . . . . 33 ASP HB3 . 15730 1 182 . 1 1 34 34 LEU H H 1 7.981 . . 1 . . . . 34 LEU H . 15730 1 183 . 1 1 34 34 LEU HA H 1 3.916 . . 1 . . . . 34 LEU HA . 15730 1 184 . 1 1 34 34 LEU HB2 H 1 1.872 . . 2 . . . . 34 LEU HB2 . 15730 1 185 . 1 1 34 34 LEU HB3 H 1 1.593 . . 2 . . . . 34 LEU HB3 . 15730 1 186 . 1 1 34 34 LEU HD11 H 1 0.887 . . 2 . . . . 34 LEU HD1 . 15730 1 187 . 1 1 34 34 LEU HD12 H 1 0.887 . . 2 . . . . 34 LEU HD1 . 15730 1 188 . 1 1 34 34 LEU HD13 H 1 0.887 . . 2 . . . . 34 LEU HD1 . 15730 1 189 . 1 1 34 34 LEU HD21 H 1 0.777 . . 2 . . . . 34 LEU HD2 . 15730 1 190 . 1 1 34 34 LEU HD22 H 1 0.777 . . 2 . . . . 34 LEU HD2 . 15730 1 191 . 1 1 34 34 LEU HD23 H 1 0.777 . . 2 . . . . 34 LEU HD2 . 15730 1 192 . 1 1 34 34 LEU HG H 1 1.773 . . 1 . . . . 34 LEU HG . 15730 1 193 . 1 1 35 35 SER H H 1 8.426 . . 1 . . . . 35 SER H . 15730 1 194 . 1 1 35 35 SER HA H 1 4.296 . . 1 . . . . 35 SER HA . 15730 1 195 . 1 1 35 35 SER HB2 H 1 3.979 . . 2 . . . . 35 SER HB2 . 15730 1 196 . 1 1 36 36 LYS H H 1 7.591 . . 1 . . . . 36 LYS H . 15730 1 197 . 1 1 36 36 LYS HA H 1 4.294 . . 1 . . . . 36 LYS HA . 15730 1 198 . 1 1 36 36 LYS HB2 H 1 1.706 . . 2 . . . . 36 LYS HB2 . 15730 1 199 . 1 1 36 36 LYS HB3 H 1 1.942 . . 2 . . . . 36 LYS HB3 . 15730 1 200 . 1 1 36 36 LYS HG2 H 1 1.268 . . 2 . . . . 36 LYS HG2 . 15730 1 201 . 1 1 36 36 LYS HG3 H 1 1.395 . . 2 . . . . 36 LYS HG3 . 15730 1 202 . 1 1 37 37 LEU H H 1 7.356 . . 1 . . . . 37 LEU H . 15730 1 203 . 1 1 37 37 LEU HA H 1 4.286 . . 1 . . . . 37 LEU HA . 15730 1 204 . 1 1 37 37 LEU HB2 H 1 1.745 . . 2 . . . . 37 LEU HB2 . 15730 1 205 . 1 1 37 37 LEU HB3 H 1 1.698 . . 2 . . . . 37 LEU HB3 . 15730 1 206 . 1 1 37 37 LEU HD11 H 1 0.904 . . 2 . . . . 37 LEU HD1 . 15730 1 207 . 1 1 37 37 LEU HD12 H 1 0.904 . . 2 . . . . 37 LEU HD1 . 15730 1 208 . 1 1 37 37 LEU HD13 H 1 0.904 . . 2 . . . . 37 LEU HD1 . 15730 1 209 . 1 1 37 37 LEU HD21 H 1 0.785 . . 2 . . . . 37 LEU HD2 . 15730 1 210 . 1 1 37 37 LEU HD22 H 1 0.785 . . 2 . . . . 37 LEU HD2 . 15730 1 211 . 1 1 37 37 LEU HD23 H 1 0.785 . . 2 . . . . 37 LEU HD2 . 15730 1 212 . 1 1 37 37 LEU HG H 1 1.594 . . 1 . . . . 37 LEU HG . 15730 1 213 . 1 1 38 38 THR H H 1 7.898 . . 1 . . . . 38 THR H . 15730 1 214 . 1 1 38 38 THR HA H 1 4.223 . . 1 . . . . 38 THR HA . 15730 1 215 . 1 1 38 38 THR HB H 1 4.207 . . 1 . . . . 38 THR HB . 15730 1 216 . 1 1 38 38 THR HG21 H 1 1.152 . . 1 . . . . 38 THR HG2 . 15730 1 217 . 1 1 38 38 THR HG22 H 1 1.152 . . 1 . . . . 38 THR HG2 . 15730 1 218 . 1 1 38 38 THR HG23 H 1 1.152 . . 1 . . . . 38 THR HG2 . 15730 1 219 . 1 1 39 39 GLY H H 1 8.286 . . 1 . . . . 39 GLY H . 15730 1 220 . 1 1 39 39 GLY HA2 H 1 3.930 . . 2 . . . . 39 GLY HA2 . 15730 1 stop_ save_