################################### # 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30767 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chem_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 NOESY' . . . 30767 1 2 '2D 1H-1H TOCSY' . . . 30767 1 3 '2D 1H-1H NOESY' . . . 30767 1 4 '2D 1H-1H TOCSY' . . . 30767 1 5 '2D 1H-13C HSQC' . . . 30767 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 PCA H H 1 7.941 0.004 . 1 . . . . A 1 PCA H . 30767 1 2 . 1 . 1 1 1 PCA CA C 13 59.505 0.000 . 1 . . . . A 1 PCA CA . 30767 1 3 . 1 . 1 1 1 PCA CB C 13 27.979 0.007 . 1 . . . . A 1 PCA CB . 30767 1 4 . 1 . 1 1 1 PCA CG C 13 31.968 0.000 . 1 . . . . A 1 PCA CG . 30767 1 5 . 1 . 1 1 1 PCA HA H 1 4.363 0.000 . 1 . . . . A 1 PCA HA . 30767 1 6 . 1 . 1 1 1 PCA HB2 H 1 2.530 0.000 . 2 . . . . A 1 PCA HB2 . 30767 1 7 . 1 . 1 1 1 PCA HB3 H 1 2.036 0.000 . 2 . . . . A 1 PCA HB3 . 30767 1 8 . 1 . 1 1 1 PCA HG2 H 1 2.545 0.004 . 2 . . . . A 1 PCA HG2 . 30767 1 9 . 1 . 1 1 1 PCA HG3 H 1 2.376 0.004 . 2 . . . . A 1 PCA HG3 . 30767 1 10 . 1 . 1 2 2 GLU H H 1 8.424 0.000 . 1 . . . . A 2 GLU H . 30767 1 11 . 1 . 1 2 2 GLU HA H 1 4.321 0.000 . 1 . . . . A 2 GLU HA . 30767 1 12 . 1 . 1 2 2 GLU HB2 H 1 1.905 0.000 . 1 . . . . A 2 GLU HB2 . 30767 1 13 . 1 . 1 2 2 GLU HB3 H 1 1.733 0.000 . 1 . . . . A 2 GLU HB3 . 30767 1 14 . 1 . 1 2 2 GLU HG2 H 1 2.083 0.000 . 2 . . . . A 2 GLU HG2 . 30767 1 15 . 1 . 1 2 2 GLU HG3 H 1 2.083 0.000 . 2 . . . . A 2 GLU HG3 . 30767 1 16 . 1 . 1 2 2 GLU CA C 13 55.973 0.000 . 1 . . . . A 2 GLU CA . 30767 1 17 . 1 . 1 2 2 GLU CB C 13 30.200 0.011 . 1 . . . . A 2 GLU CB . 30767 1 18 . 1 . 1 2 2 GLU CG C 13 35.965 0.000 . 1 . . . . A 2 GLU CG . 30767 1 19 . 1 . 1 3 3 ALA H H 1 8.191 0.000 . 1 . . . . A 3 ALA H . 30767 1 20 . 1 . 1 3 3 ALA HA H 1 4.478 0.000 . 1 . . . . A 3 ALA HA . 30767 1 21 . 1 . 1 3 3 ALA HB1 H 1 1.302 0.000 . 1 . . . . A 3 ALA HB1 . 30767 1 22 . 1 . 1 3 3 ALA HB2 H 1 1.302 0.000 . 1 . . . . A 3 ALA HB2 . 30767 1 23 . 1 . 1 3 3 ALA HB3 H 1 1.302 0.000 . 1 . . . . A 3 ALA HB3 . 30767 1 24 . 1 . 1 3 3 ALA CA C 13 51.414 0.000 . 1 . . . . A 3 ALA CA . 30767 1 25 . 1 . 1 3 3 ALA CB C 13 20.194 0.000 . 1 . . . . A 3 ALA CB . 30767 1 26 . 1 . 1 4 4 PHE H H 1 8.818 0.004 . 1 . . . . A 4 PHE H . 30767 1 27 . 1 . 1 4 4 PHE HA H 1 4.464 0.000 . 1 . . . . A 4 PHE HA . 30767 1 28 . 1 . 1 4 4 PHE HB2 H 1 3.202 0.000 . 1 . . . . A 4 PHE HB2 . 30767 1 29 . 1 . 1 4 4 PHE HB3 H 1 2.746 0.000 . 1 . . . . A 4 PHE HB3 . 30767 1 30 . 1 . 1 4 4 PHE HD1 H 1 7.160 0.004 . 3 . . . . A 4 PHE HD1 . 30767 1 31 . 1 . 1 4 4 PHE HD2 H 1 7.160 0.004 . 3 . . . . A 4 PHE HD2 . 30767 1 32 . 1 . 1 4 4 PHE HE1 H 1 7.282 0.003 . 3 . . . . A 4 PHE HE1 . 30767 1 33 . 1 . 1 4 4 PHE HE2 H 1 7.282 0.003 . 3 . . . . A 4 PHE HE2 . 30767 1 34 . 1 . 1 4 4 PHE CA C 13 59.034 0.000 . 1 . . . . A 4 PHE CA . 30767 1 35 . 1 . 1 4 4 PHE CB C 13 38.529 0.000 . 1 . . . . A 4 PHE CB . 30767 1 36 . 1 . 1 5 5 CYS H H 1 8.226 0.000 . 1 . . . . A 5 CYS H . 30767 1 37 . 1 . 1 5 5 CYS HA H 1 5.428 0.000 . 1 . . . . A 5 CYS HA . 30767 1 38 . 1 . 1 5 5 CYS HB2 H 1 3.430 0.000 . 2 . . . . A 5 CYS HB2 . 30767 1 39 . 1 . 1 5 5 CYS HB3 H 1 3.082 0.000 . 2 . . . . A 5 CYS HB3 . 30767 1 40 . 1 . 1 5 5 CYS CA C 13 54.966 0.000 . 1 . . . . A 5 CYS CA . 30767 1 41 . 1 . 1 5 5 CYS CB C 13 41.977 0.009 . 1 . . . . A 5 CYS CB . 30767 1 42 . 1 . 1 6 6 TYR H H 1 9.153 0.000 . 1 . . . . A 6 TYR H . 30767 1 43 . 1 . 1 6 6 TYR HA H 1 5.552 0.000 . 1 . . . . A 6 TYR HA . 30767 1 44 . 1 . 1 6 6 TYR HB2 H 1 3.126 0.000 . 1 . . . . A 6 TYR HB2 . 30767 1 45 . 1 . 1 6 6 TYR HB3 H 1 3.050 0.000 . 1 . . . . A 6 TYR HB3 . 30767 1 46 . 1 . 1 6 6 TYR HD1 H 1 7.085 0.003 . 3 . . . . A 6 TYR HD1 . 30767 1 47 . 1 . 1 6 6 TYR HD2 H 1 6.631 0.000 . 3 . . . . A 6 TYR HD2 . 30767 1 48 . 1 . 1 6 6 TYR HE1 H 1 6.928 0.003 . 3 . . . . A 6 TYR HE1 . 30767 1 49 . 1 . 1 6 6 TYR HE2 H 1 6.632 0.000 . 3 . . . . A 6 TYR HE2 . 30767 1 50 . 1 . 1 6 6 TYR HH H 1 7.958 0.000 . 1 . . . . A 6 TYR HH . 30767 1 51 . 1 . 1 6 6 TYR CA C 13 55.993 0.000 . 1 . . . . A 6 TYR CA . 30767 1 52 . 1 . 1 6 6 TYR CB C 13 39.923 0.000 . 1 . . . . A 6 TYR CB . 30767 1 53 . 1 . 1 7 7 SER H H 1 8.984 0.003 . 1 . . . . A 7 SER H . 30767 1 54 . 1 . 1 7 7 SER HA H 1 4.584 0.000 . 1 . . . . A 7 SER HA . 30767 1 55 . 1 . 1 7 7 SER HB2 H 1 4.153 0.000 . 2 . . . . A 7 SER HB2 . 30767 1 56 . 1 . 1 7 7 SER HB3 H 1 3.978 0.000 . 2 . . . . A 7 SER HB3 . 30767 1 57 . 1 . 1 7 7 SER CA C 13 58.959 0.000 . 1 . . . . A 7 SER CA . 30767 1 58 . 1 . 1 7 7 SER CB C 13 63.362 0.000 . 1 . . . . A 7 SER CB . 30767 1 59 . 1 . 1 8 8 ASP H H 1 9.297 0.000 . 1 . . . . A 8 ASP H . 30767 1 60 . 1 . 1 8 8 ASP HA H 1 5.014 0.000 . 1 . . . . A 8 ASP HA . 30767 1 61 . 1 . 1 8 8 ASP HB2 H 1 2.995 0.000 . 2 . . . . A 8 ASP HB2 . 30767 1 62 . 1 . 1 8 8 ASP HB3 H 1 2.887 0.000 . 2 . . . . A 8 ASP HB3 . 30767 1 63 . 1 . 1 8 8 ASP CA C 13 52.180 0.000 . 1 . . . . A 8 ASP CA . 30767 1 64 . 1 . 1 8 8 ASP CB C 13 42.603 0.000 . 1 . . . . A 8 ASP CB . 30767 1 65 . 1 . 1 9 9 ARG H H 1 8.768 0.000 . 1 . . . . A 9 ARG H . 30767 1 66 . 1 . 1 9 9 ARG HA H 1 4.052 0.000 . 1 . . . . A 9 ARG HA . 30767 1 67 . 1 . 1 9 9 ARG HB2 H 1 1.539 0.000 . 1 . . . . A 9 ARG HB2 . 30767 1 68 . 1 . 1 9 9 ARG HB3 H 1 1.077 0.000 . 1 . . . . A 9 ARG HB3 . 30767 1 69 . 1 . 1 9 9 ARG HG2 H 1 1.810 0.000 . 2 . . . . A 9 ARG HG2 . 30767 1 70 . 1 . 1 9 9 ARG HG3 H 1 1.696 0.000 . 2 . . . . A 9 ARG HG3 . 30767 1 71 . 1 . 1 9 9 ARG HD2 H 1 3.264 0.000 . 2 . . . . A 9 ARG HD2 . 30767 1 72 . 1 . 1 9 9 ARG HD3 H 1 3.264 0.000 . 2 . . . . A 9 ARG HD3 . 30767 1 73 . 1 . 1 9 9 ARG HE H 1 7.136 0.000 . 1 . . . . A 9 ARG HE . 30767 1 74 . 1 . 1 9 9 ARG CA C 13 55.427 0.000 . 1 . . . . A 9 ARG CA . 30767 1 75 . 1 . 1 9 9 ARG CB C 13 29.115 0.000 . 1 . . . . A 9 ARG CB . 30767 1 76 . 1 . 1 9 9 ARG CG C 13 26.712 0.000 . 1 . . . . A 9 ARG CG . 30767 1 77 . 1 . 1 10 10 PHE H H 1 7.868 0.004 . 1 . . . . A 10 PHE H . 30767 1 78 . 1 . 1 10 10 PHE HA H 1 4.674 0.000 . 1 . . . . A 10 PHE HA . 30767 1 79 . 1 . 1 10 10 PHE HB2 H 1 3.506 0.000 . 1 . . . . A 10 PHE HB2 . 30767 1 80 . 1 . 1 10 10 PHE HB3 H 1 2.536 0.000 . 1 . . . . A 10 PHE HB3 . 30767 1 81 . 1 . 1 10 10 PHE HD1 H 1 7.261 0.004 . 3 . . . . A 10 PHE HD1 . 30767 1 82 . 1 . 1 10 10 PHE HD2 H 1 7.261 0.004 . 3 . . . . A 10 PHE HD2 . 30767 1 83 . 1 . 1 10 10 PHE HE1 H 1 7.357 0.000 . 3 . . . . A 10 PHE HE1 . 30767 1 84 . 1 . 1 10 10 PHE HE2 H 1 7.357 0.000 . 3 . . . . A 10 PHE HE2 . 30767 1 85 . 1 . 1 10 10 PHE CA C 13 57.126 0.000 . 1 . . . . A 10 PHE CA . 30767 1 86 . 1 . 1 10 10 PHE CB C 13 39.415 0.000 . 1 . . . . A 10 PHE CB . 30767 1 87 . 1 . 1 11 11 CYS H H 1 8.059 0.000 . 1 . . . . A 11 CYS H . 30767 1 88 . 1 . 1 11 11 CYS HA H 1 2.677 0.000 . 1 . . . . A 11 CYS HA . 30767 1 89 . 1 . 1 11 11 CYS HB2 H 1 2.664 0.000 . 2 . . . . A 11 CYS HB2 . 30767 1 90 . 1 . 1 11 11 CYS HB3 H 1 1.870 0.000 . 2 . . . . A 11 CYS HB3 . 30767 1 91 . 1 . 1 11 11 CYS CA C 13 58.791 0.000 . 1 . . . . A 11 CYS CA . 30767 1 92 . 1 . 1 11 11 CYS CB C 13 37.634 0.000 . 1 . . . . A 11 CYS CB . 30767 1 93 . 1 . 1 12 12 GLN H H 1 9.867 0.000 . 1 . . . . A 12 GLN H . 30767 1 94 . 1 . 1 12 12 GLN HA H 1 4.386 0.000 . 1 . . . . A 12 GLN HA . 30767 1 95 . 1 . 1 12 12 GLN HB2 H 1 2.049 0.000 . 1 . . . . A 12 GLN HB2 . 30767 1 96 . 1 . 1 12 12 GLN HB3 H 1 1.940 0.000 . 1 . . . . A 12 GLN HB3 . 30767 1 97 . 1 . 1 12 12 GLN HG2 H 1 2.247 0.000 . 2 . . . . A 12 GLN HG2 . 30767 1 98 . 1 . 1 12 12 GLN HG3 H 1 2.247 0.000 . 2 . . . . A 12 GLN HG3 . 30767 1 99 . 1 . 1 12 12 GLN HE21 H 1 7.282 0.004 . 2 . . . . A 12 GLN HE21 . 30767 1 100 . 1 . 1 12 12 GLN HE22 H 1 6.839 0.004 . 2 . . . . A 12 GLN HE22 . 30767 1 101 . 1 . 1 12 12 GLN CA C 13 56.498 0.000 . 1 . . . . A 12 GLN CA . 30767 1 102 . 1 . 1 12 12 GLN CB C 13 30.626 0.000 . 1 . . . . A 12 GLN CB . 30767 1 103 . 1 . 1 12 12 GLN CG C 13 34.191 0.000 . 1 . . . . A 12 GLN CG . 30767 1 104 . 1 . 1 13 13 ASN H H 1 9.838 0.002 . 1 . . . . A 13 ASN H . 30767 1 105 . 1 . 1 13 13 ASN HA H 1 5.173 0.000 . 1 . . . . A 13 ASN HA . 30767 1 106 . 1 . 1 13 13 ASN HB2 H 1 3.035 0.000 . 1 . . . . A 13 ASN HB2 . 30767 1 107 . 1 . 1 13 13 ASN HB3 H 1 2.942 0.000 . 1 . . . . A 13 ASN HB3 . 30767 1 108 . 1 . 1 13 13 ASN HD21 H 1 7.481 0.000 . 2 . . . . A 13 ASN HD21 . 30767 1 109 . 1 . 1 13 13 ASN HD22 H 1 6.962 0.004 . 2 . . . . A 13 ASN HD22 . 30767 1 110 . 1 . 1 13 13 ASN CA C 13 52.180 0.000 . 1 . . . . A 13 ASN CA . 30767 1 111 . 1 . 1 13 13 ASN CB C 13 38.323 0.000 . 1 . . . . A 13 ASN CB . 30767 1 112 . 1 . 1 14 14 TYR H H 1 8.743 0.000 . 1 . . . . A 14 TYR H . 30767 1 113 . 1 . 1 14 14 TYR HA H 1 4.498 0.000 . 1 . . . . A 14 TYR HA . 30767 1 114 . 1 . 1 14 14 TYR HB2 H 1 3.173 0.000 . 1 . . . . A 14 TYR HB2 . 30767 1 115 . 1 . 1 14 14 TYR HB3 H 1 2.931 0.000 . 1 . . . . A 14 TYR HB3 . 30767 1 116 . 1 . 1 14 14 TYR HD1 H 1 6.896 0.003 . 3 . . . . A 14 TYR HD1 . 30767 1 117 . 1 . 1 14 14 TYR HD2 H 1 6.896 0.003 . 3 . . . . A 14 TYR HD2 . 30767 1 118 . 1 . 1 14 14 TYR HE1 H 1 6.763 0.003 . 3 . . . . A 14 TYR HE1 . 30767 1 119 . 1 . 1 14 14 TYR HE2 H 1 6.763 0.003 . 3 . . . . A 14 TYR HE2 . 30767 1 120 . 1 . 1 14 14 TYR CA C 13 58.169 0.000 . 1 . . . . A 14 TYR CA . 30767 1 121 . 1 . 1 14 14 TYR CB C 13 39.045 0.000 . 1 . . . . A 14 TYR CB . 30767 1 122 . 1 . 1 15 15 ILE H H 1 8.774 0.000 . 1 . . . . A 15 ILE H . 30767 1 123 . 1 . 1 15 15 ILE HA H 1 4.430 0.000 . 1 . . . . A 15 ILE HA . 30767 1 124 . 1 . 1 15 15 ILE HB H 1 2.016 0.000 . 1 . . . . A 15 ILE HB . 30767 1 125 . 1 . 1 15 15 ILE HG12 H 1 0.991 0.004 . 2 . . . . A 15 ILE HG12 . 30767 1 126 . 1 . 1 15 15 ILE HG13 H 1 0.940 0.004 . 2 . . . . A 15 ILE HG13 . 30767 1 127 . 1 . 1 15 15 ILE HG21 H 1 0.939 0.000 . 1 . . . . A 15 ILE HG21 . 30767 1 128 . 1 . 1 15 15 ILE HG22 H 1 0.939 0.000 . 1 . . . . A 15 ILE HG22 . 30767 1 129 . 1 . 1 15 15 ILE HG23 H 1 0.939 0.000 . 1 . . . . A 15 ILE HG23 . 30767 1 130 . 1 . 1 15 15 ILE HD11 H 1 0.862 0.000 . 1 . . . . A 15 ILE HD11 . 30767 1 131 . 1 . 1 15 15 ILE HD12 H 1 0.862 0.000 . 1 . . . . A 15 ILE HD12 . 30767 1 132 . 1 . 1 15 15 ILE HD13 H 1 0.862 0.000 . 1 . . . . A 15 ILE HD13 . 30767 1 133 . 1 . 1 15 15 ILE CA C 13 60.683 0.000 . 1 . . . . A 15 ILE CA . 30767 1 134 . 1 . 1 15 15 ILE CB C 13 39.340 0.000 . 1 . . . . A 15 ILE CB . 30767 1 135 . 1 . 1 15 15 ILE CG2 C 13 18.436 0.000 . 1 . . . . A 15 ILE CG2 . 30767 1 136 . 1 . 1 15 15 ILE CD1 C 13 13.519 0.000 . 1 . . . . A 15 ILE CD1 . 30767 1 137 . 1 . 1 16 16 GLY H H 1 5.514 0.006 . 1 . . . . A 16 GLY H . 30767 1 138 . 1 . 1 16 16 GLY HA2 H 1 4.264 0.000 . 2 . . . . A 16 GLY HA2 . 30767 1 139 . 1 . 1 16 16 GLY HA3 H 1 3.304 0.000 . 2 . . . . A 16 GLY HA3 . 30767 1 140 . 1 . 1 16 16 GLY CA C 13 44.230 0.000 . 1 . . . . A 16 GLY CA . 30767 1 141 . 1 . 1 17 17 SER H H 1 8.708 0.000 . 1 . . . . A 17 SER H . 30767 1 142 . 1 . 1 17 17 SER HA H 1 5.182 0.000 . 1 . . . . A 17 SER HA . 30767 1 143 . 1 . 1 17 17 SER HB2 H 1 3.743 0.000 . 2 . . . . A 17 SER HB2 . 30767 1 144 . 1 . 1 17 17 SER HB3 H 1 3.743 0.000 . 2 . . . . A 17 SER HB3 . 30767 1 145 . 1 . 1 17 17 SER CA C 13 56.340 0.000 . 1 . . . . A 17 SER CA . 30767 1 146 . 1 . 1 17 17 SER CB C 13 72.313 0.000 . 1 . . . . A 17 SER CB . 30767 1 147 . 1 . 1 18 18 ILE H H 1 7.344 0.000 . 1 . . . . A 18 ILE H . 30767 1 148 . 1 . 1 18 18 ILE HA H 1 4.754 0.000 . 1 . . . . A 18 ILE HA . 30767 1 149 . 1 . 1 18 18 ILE HB H 1 1.947 0.000 . 1 . . . . A 18 ILE HB . 30767 1 150 . 1 . 1 18 18 ILE HG12 H 1 1.320 0.000 . 2 . . . . A 18 ILE HG12 . 30767 1 151 . 1 . 1 18 18 ILE HG13 H 1 1.320 0.000 . 2 . . . . A 18 ILE HG13 . 30767 1 152 . 1 . 1 18 18 ILE HG21 H 1 0.852 0.000 . 1 . . . . A 18 ILE HG21 . 30767 1 153 . 1 . 1 18 18 ILE HG22 H 1 0.852 0.000 . 1 . . . . A 18 ILE HG22 . 30767 1 154 . 1 . 1 18 18 ILE HG23 H 1 0.852 0.000 . 1 . . . . A 18 ILE HG23 . 30767 1 155 . 1 . 1 18 18 ILE HD11 H 1 0.822 0.000 . 1 . . . . A 18 ILE HD11 . 30767 1 156 . 1 . 1 18 18 ILE HD12 H 1 0.822 0.000 . 1 . . . . A 18 ILE HD12 . 30767 1 157 . 1 . 1 18 18 ILE HD13 H 1 0.822 0.000 . 1 . . . . A 18 ILE HD13 . 30767 1 158 . 1 . 1 18 18 ILE CA C 13 58.167 0.000 . 1 . . . . A 18 ILE CA . 30767 1 159 . 1 . 1 18 18 ILE CB C 13 39.466 0.000 . 1 . . . . A 18 ILE CB . 30767 1 160 . 1 . 1 18 18 ILE CG1 C 13 31.493 0.000 . 1 . . . . A 18 ILE CG1 . 30767 1 161 . 1 . 1 18 18 ILE CG2 C 13 18.173 0.000 . 1 . . . . A 18 ILE CG2 . 30767 1 162 . 1 . 1 18 18 ILE CD1 C 13 14.545 0.000 . 1 . . . . A 18 ILE CD1 . 30767 1 163 . 1 . 1 19 19 PRO HA H 1 4.452 0.000 . 1 . . . . A 19 PRO HA . 30767 1 164 . 1 . 1 19 19 PRO HB2 H 1 2.265 0.000 . 2 . . . . A 19 PRO HB2 . 30767 1 165 . 1 . 1 19 19 PRO HB3 H 1 1.840 0.000 . 2 . . . . A 19 PRO HB3 . 30767 1 166 . 1 . 1 19 19 PRO HG2 H 1 2.013 0.000 . 2 . . . . A 19 PRO HG2 . 30767 1 167 . 1 . 1 19 19 PRO HG3 H 1 2.013 0.000 . 2 . . . . A 19 PRO HG3 . 30767 1 168 . 1 . 1 19 19 PRO HD2 H 1 3.789 0.000 . 2 . . . . A 19 PRO HD2 . 30767 1 169 . 1 . 1 19 19 PRO HD3 H 1 3.674 0.000 . 2 . . . . A 19 PRO HD3 . 30767 1 170 . 1 . 1 19 19 PRO CA C 13 62.936 0.000 . 1 . . . . A 19 PRO CA . 30767 1 171 . 1 . 1 19 19 PRO CB C 13 32.028 0.000 . 1 . . . . A 19 PRO CB . 30767 1 172 . 1 . 1 19 19 PRO CG C 13 27.367 0.000 . 1 . . . . A 19 PRO CG . 30767 1 173 . 1 . 1 20 20 ASP H H 1 8.595 0.000 . 1 . . . . A 20 ASP H . 30767 1 174 . 1 . 1 20 20 ASP HA H 1 4.326 0.000 . 1 . . . . A 20 ASP HA . 30767 1 175 . 1 . 1 20 20 ASP HB2 H 1 2.366 0.000 . 2 . . . . A 20 ASP HB2 . 30767 1 176 . 1 . 1 20 20 ASP HB3 H 1 2.366 0.000 . 2 . . . . A 20 ASP HB3 . 30767 1 177 . 1 . 1 20 20 ASP CA C 13 53.873 0.000 . 1 . . . . A 20 ASP CA . 30767 1 178 . 1 . 1 20 20 ASP CB C 13 39.220 0.000 . 1 . . . . A 20 ASP CB . 30767 1 179 . 1 . 1 21 21 CYS H H 1 8.200 0.002 . 1 . . . . A 21 CYS H . 30767 1 180 . 1 . 1 21 21 CYS HA H 1 4.222 0.004 . 1 . . . . A 21 CYS HA . 30767 1 181 . 1 . 1 21 21 CYS HB2 H 1 3.581 0.003 . 1 . . . . A 21 CYS HB2 . 30767 1 182 . 1 . 1 21 21 CYS HB3 H 1 2.544 0.004 . 1 . . . . A 21 CYS HB3 . 30767 1 183 . 1 . 1 22 22 CYS H H 1 9.008 0.000 . 1 . . . . A 22 CYS H . 30767 1 184 . 1 . 1 22 22 CYS HA H 1 5.077 0.000 . 1 . . . . A 22 CYS HA . 30767 1 185 . 1 . 1 22 22 CYS HB2 H 1 3.478 0.000 . 1 . . . . A 22 CYS HB2 . 30767 1 186 . 1 . 1 22 22 CYS HB3 H 1 2.900 0.000 . 1 . . . . A 22 CYS HB3 . 30767 1 187 . 1 . 1 22 22 CYS CA C 13 54.027 0.000 . 1 . . . . A 22 CYS CA . 30767 1 188 . 1 . 1 22 22 CYS CB C 13 38.549 0.000 . 1 . . . . A 22 CYS CB . 30767 1 189 . 1 . 1 23 23 PHE H H 1 8.194 0.003 . 1 . . . . A 23 PHE H . 30767 1 190 . 1 . 1 23 23 PHE HA H 1 4.513 0.000 . 1 . . . . A 23 PHE HA . 30767 1 191 . 1 . 1 23 23 PHE HB2 H 1 3.451 0.000 . 1 . . . . A 23 PHE HB2 . 30767 1 192 . 1 . 1 23 23 PHE HB3 H 1 3.234 0.000 . 1 . . . . A 23 PHE HB3 . 30767 1 193 . 1 . 1 23 23 PHE HD1 H 1 7.326 0.003 . 3 . . . . A 23 PHE HD1 . 30767 1 194 . 1 . 1 23 23 PHE HD2 H 1 7.326 0.003 . 3 . . . . A 23 PHE HD2 . 30767 1 195 . 1 . 1 23 23 PHE HE1 H 1 7.397 0.000 . 3 . . . . A 23 PHE HE1 . 30767 1 196 . 1 . 1 23 23 PHE HE2 H 1 7.397 0.000 . 3 . . . . A 23 PHE HE2 . 30767 1 197 . 1 . 1 23 23 PHE CA C 13 57.978 0.000 . 1 . . . . A 23 PHE CA . 30767 1 198 . 1 . 1 23 23 PHE CB C 13 37.695 0.000 . 1 . . . . A 23 PHE CB . 30767 1 199 . 1 . 1 24 24 GLY H H 1 8.089 0.000 . 1 . . . . A 24 GLY H . 30767 1 200 . 1 . 1 24 24 GLY HA2 H 1 4.157 0.000 . 2 . . . . A 24 GLY HA2 . 30767 1 201 . 1 . 1 24 24 GLY HA3 H 1 4.023 0.000 . 2 . . . . A 24 GLY HA3 . 30767 1 202 . 1 . 1 24 24 GLY CA C 13 45.161 0.000 . 1 . . . . A 24 GLY CA . 30767 1 203 . 1 . 1 25 25 ARG HA H 1 3.693 0.000 . 1 . . . . A 25 ARG HA . 30767 1 204 . 1 . 1 25 25 ARG HB2 H 1 2.128 0.000 . 2 . . . . A 25 ARG HB2 . 30767 1 205 . 1 . 1 25 25 ARG HB3 H 1 2.075 0.000 . 2 . . . . A 25 ARG HB3 . 30767 1 206 . 1 . 1 25 25 ARG HG2 H 1 1.602 0.000 . 2 . . . . A 25 ARG HG2 . 30767 1 207 . 1 . 1 25 25 ARG HG3 H 1 1.602 0.000 . 2 . . . . A 25 ARG HG3 . 30767 1 208 . 1 . 1 25 25 ARG HD2 H 1 3.233 0.000 . 2 . . . . A 25 ARG HD2 . 30767 1 209 . 1 . 1 25 25 ARG HD3 H 1 3.233 0.000 . 2 . . . . A 25 ARG HD3 . 30767 1 210 . 1 . 1 25 25 ARG HE H 1 7.216 0.000 . 1 . . . . A 25 ARG HE . 30767 1 211 . 1 . 1 25 25 ARG CA C 13 62.043 0.000 . 1 . . . . A 25 ARG CA . 30767 1 212 . 1 . 1 25 25 ARG CB C 13 27.354 0.012 . 4 . . . . A 25 ARG CB . 30767 1 213 . 1 . 1 25 25 ARG CG C 13 27.348 0.000 . 4 . . . . A 25 ARG CG . 30767 1 214 . 1 . 1 26 26 GLY H H 1 8.258 0.003 . 1 . . . . A 26 GLY H . 30767 1 215 . 1 . 1 26 26 GLY HA2 H 1 4.030 0.000 . 2 . . . . A 26 GLY HA2 . 30767 1 216 . 1 . 1 26 26 GLY HA3 H 1 3.863 0.000 . 2 . . . . A 26 GLY HA3 . 30767 1 217 . 1 . 1 26 26 GLY CA C 13 45.948 0.000 . 1 . . . . A 26 GLY CA . 30767 1 218 . 1 . 1 27 27 SER H H 1 8.539 0.003 . 1 . . . . A 27 SER H . 30767 1 219 . 1 . 1 27 27 SER HA H 1 5.321 0.000 . 1 . . . . A 27 SER HA . 30767 1 220 . 1 . 1 27 27 SER HB2 H 1 3.868 0.000 . 2 . . . . A 27 SER HB2 . 30767 1 221 . 1 . 1 27 27 SER HB3 H 1 3.868 0.000 . 2 . . . . A 27 SER HB3 . 30767 1 222 . 1 . 1 27 27 SER HG H 1 4.944 0.000 . 1 . . . . A 27 SER HG . 30767 1 223 . 1 . 1 27 27 SER CA C 13 57.665 0.000 . 1 . . . . A 27 SER CA . 30767 1 224 . 1 . 1 27 27 SER CB C 13 66.508 0.000 . 1 . . . . A 27 SER CB . 30767 1 225 . 1 . 1 28 28 TYR H H 1 9.399 0.001 . 1 . . . . A 28 TYR H . 30767 1 226 . 1 . 1 28 28 TYR HA H 1 6.306 0.000 . 1 . . . . A 28 TYR HA . 30767 1 227 . 1 . 1 28 28 TYR HB2 H 1 3.481 0.000 . 1 . . . . A 28 TYR HB2 . 30767 1 228 . 1 . 1 28 28 TYR HB3 H 1 3.049 0.000 . 1 . . . . A 28 TYR HB3 . 30767 1 229 . 1 . 1 28 28 TYR HD1 H 1 6.647 0.004 . 3 . . . . A 28 TYR HD1 . 30767 1 230 . 1 . 1 28 28 TYR HD2 H 1 6.647 0.004 . 3 . . . . A 28 TYR HD2 . 30767 1 231 . 1 . 1 28 28 TYR HE1 H 1 6.598 0.004 . 3 . . . . A 28 TYR HE1 . 30767 1 232 . 1 . 1 28 28 TYR HE2 H 1 6.598 0.004 . 3 . . . . A 28 TYR HE2 . 30767 1 233 . 1 . 1 28 28 TYR CA C 13 56.491 0.000 . 1 . . . . A 28 TYR CA . 30767 1 234 . 1 . 1 28 28 TYR CB C 13 42.167 0.000 . 1 . . . . A 28 TYR CB . 30767 1 235 . 1 . 1 29 29 SER H H 1 9.524 0.000 . 1 . . . . A 29 SER H . 30767 1 236 . 1 . 1 29 29 SER HA H 1 4.875 0.000 . 1 . . . . A 29 SER HA . 30767 1 237 . 1 . 1 29 29 SER HB2 H 1 4.694 0.000 . 2 . . . . A 29 SER HB2 . 30767 1 238 . 1 . 1 29 29 SER HB3 H 1 4.373 0.000 . 2 . . . . A 29 SER HB3 . 30767 1 239 . 1 . 1 29 29 SER HG H 1 5.579 0.000 . 1 . . . . A 29 SER HG . 30767 1 240 . 1 . 1 29 29 SER CA C 13 57.517 0.000 . 1 . . . . A 29 SER CA . 30767 1 241 . 1 . 1 29 29 SER CB C 13 67.406 0.000 . 1 . . . . A 29 SER CB . 30767 1 242 . 1 . 1 30 30 PHE H H 1 10.256 0.000 . 1 . . . . A 30 PHE H . 30767 1 243 . 1 . 1 30 30 PHE HA H 1 5.360 0.000 . 1 . . . . A 30 PHE HA . 30767 1 244 . 1 . 1 30 30 PHE HB2 H 1 3.765 0.000 . 1 . . . . A 30 PHE HB2 . 30767 1 245 . 1 . 1 30 30 PHE HB3 H 1 3.034 0.000 . 1 . . . . A 30 PHE HB3 . 30767 1 246 . 1 . 1 30 30 PHE HD1 H 1 7.628 0.003 . 3 . . . . A 30 PHE HD1 . 30767 1 247 . 1 . 1 30 30 PHE HD2 H 1 7.628 0.003 . 3 . . . . A 30 PHE HD2 . 30767 1 248 . 1 . 1 30 30 PHE HE1 H 1 7.414 0.003 . 3 . . . . A 30 PHE HE1 . 30767 1 249 . 1 . 1 30 30 PHE HE2 H 1 7.414 0.003 . 3 . . . . A 30 PHE HE2 . 30767 1 250 . 1 . 1 30 30 PHE CA C 13 58.193 0.000 . 1 . . . . A 30 PHE CA . 30767 1 251 . 1 . 1 30 30 PHE CB C 13 39.503 0.000 . 1 . . . . A 30 PHE CB . 30767 1 252 . 1 . 1 31 31 GLU H H 1 7.809 0.003 . 1 . . . . A 31 GLU H . 30767 1 253 . 1 . 1 31 31 GLU HA H 1 4.697 0.000 . 1 . . . . A 31 GLU HA . 30767 1 254 . 1 . 1 31 31 GLU HB2 H 1 2.114 0.000 . 2 . . . . A 31 GLU HB2 . 30767 1 255 . 1 . 1 31 31 GLU HB3 H 1 1.964 0.000 . 2 . . . . A 31 GLU HB3 . 30767 1 256 . 1 . 1 31 31 GLU HG2 H 1 2.333 0.000 . 2 . . . . A 31 GLU HG2 . 30767 1 257 . 1 . 1 31 31 GLU HG3 H 1 2.333 0.000 . 2 . . . . A 31 GLU HG3 . 30767 1 258 . 1 . 1 31 31 GLU CA C 13 54.434 0.000 . 1 . . . . A 31 GLU CA . 30767 1 259 . 1 . 1 31 31 GLU CB C 13 33.490 0.000 . 1 . . . . A 31 GLU CB . 30767 1 260 . 1 . 1 31 31 GLU CG C 13 35.291 0.000 . 1 . . . . A 31 GLU CG . 30767 1 261 . 1 . 1 32 32 LEU H H 1 8.403 0.000 . 1 . . . . A 32 LEU H . 30767 1 262 . 1 . 1 32 32 LEU HA H 1 3.586 0.000 . 1 . . . . A 32 LEU HA . 30767 1 263 . 1 . 1 32 32 LEU HB2 H 1 1.196 0.000 . 2 . . . . A 32 LEU HB2 . 30767 1 264 . 1 . 1 32 32 LEU HB3 H 1 1.148 0.000 . 2 . . . . A 32 LEU HB3 . 30767 1 265 . 1 . 1 32 32 LEU HG H 1 0.693 0.000 . 1 . . . . A 32 LEU HG . 30767 1 266 . 1 . 1 32 32 LEU HD11 H 1 0.423 0.000 . 2 . . . . A 32 LEU HD11 . 30767 1 267 . 1 . 1 32 32 LEU HD12 H 1 0.423 0.000 . 2 . . . . A 32 LEU HD12 . 30767 1 268 . 1 . 1 32 32 LEU HD13 H 1 0.423 0.000 . 2 . . . . A 32 LEU HD13 . 30767 1 269 . 1 . 1 32 32 LEU HD21 H 1 0.146 0.000 . 2 . . . . A 32 LEU HD21 . 30767 1 270 . 1 . 1 32 32 LEU HD22 H 1 0.146 0.000 . 2 . . . . A 32 LEU HD22 . 30767 1 271 . 1 . 1 32 32 LEU HD23 H 1 0.146 0.000 . 2 . . . . A 32 LEU HD23 . 30767 1 272 . 1 . 1 32 32 LEU CA C 13 55.200 0.000 . 1 . . . . A 32 LEU CA . 30767 1 273 . 1 . 1 32 32 LEU CB C 13 42.013 0.000 . 1 . . . . A 32 LEU CB . 30767 1 274 . 1 . 1 32 32 LEU CG C 13 26.496 0.000 . 1 . . . . A 32 LEU CG . 30767 1 275 . 1 . 1 32 32 LEU CD1 C 13 23.980 0.000 . 2 . . . . A 32 LEU CD1 . 30767 1 276 . 1 . 1 32 32 LEU CD2 C 13 23.083 0.000 . 2 . . . . A 32 LEU CD2 . 30767 1 277 . 1 . 1 33 33 GLN H H 1 8.600 0.000 . 1 . . . . A 33 GLN H . 30767 1 278 . 1 . 1 33 33 GLN HA H 1 4.005 0.000 . 1 . . . . A 33 GLN HA . 30767 1 279 . 1 . 1 33 33 GLN HB2 H 1 2.225 0.004 . 2 . . . . A 33 GLN HB2 . 30767 1 280 . 1 . 1 33 33 GLN HB3 H 1 1.994 0.004 . 2 . . . . A 33 GLN HB3 . 30767 1 281 . 1 . 1 33 33 GLN HG2 H 1 2.281 0.000 . 2 . . . . A 33 GLN HG2 . 30767 1 282 . 1 . 1 33 33 GLN HG3 H 1 2.211 0.000 . 2 . . . . A 33 GLN HG3 . 30767 1 283 . 1 . 1 33 33 GLN HE21 H 1 7.500 0.000 . 2 . . . . A 33 GLN HE21 . 30767 1 284 . 1 . 1 33 33 GLN HE22 H 1 6.804 0.000 . 2 . . . . A 33 GLN HE22 . 30767 1 285 . 1 . 1 33 33 GLN CA C 13 55.853 0.000 . 1 . . . . A 33 GLN CA . 30767 1 286 . 1 . 1 33 33 GLN CB C 13 27.478 0.000 . 1 . . . . A 33 GLN CB . 30767 1 287 . 1 . 1 33 33 GLN CG C 13 34.181 0.007 . 1 . . . . A 33 GLN CG . 30767 1 288 . 1 . 1 34 34 PRO HA H 1 4.439 0.000 . 1 . . . . A 34 PRO HA . 30767 1 289 . 1 . 1 34 34 PRO HB2 H 1 1.993 0.000 . 2 . . . . A 34 PRO HB2 . 30767 1 290 . 1 . 1 34 34 PRO HB3 H 1 1.816 0.000 . 2 . . . . A 34 PRO HB3 . 30767 1 291 . 1 . 1 34 34 PRO HG2 H 1 1.845 0.003 . 2 . . . . A 34 PRO HG2 . 30767 1 292 . 1 . 1 34 34 PRO HG3 H 1 1.806 0.000 . 2 . . . . A 34 PRO HG3 . 30767 1 293 . 1 . 1 34 34 PRO HD2 H 1 3.742 0.000 . 2 . . . . A 34 PRO HD2 . 30767 1 294 . 1 . 1 34 34 PRO HD3 H 1 3.503 0.000 . 2 . . . . A 34 PRO HD3 . 30767 1 295 . 1 . 1 34 34 PRO CA C 13 61.434 0.000 . 1 . . . . A 34 PRO CA . 30767 1 296 . 1 . 1 34 34 PRO CB C 13 31.069 0.000 . 1 . . . . A 34 PRO CB . 30767 1 297 . 1 . 1 35 35 PRO HA H 1 4.361 0.000 . 1 . . . . A 35 PRO HA . 30767 1 298 . 1 . 1 35 35 PRO HB2 H 1 1.434 0.000 . 2 . . . . A 35 PRO HB2 . 30767 1 299 . 1 . 1 35 35 PRO HB3 H 1 -0.334 0.000 . 2 . . . . A 35 PRO HB3 . 30767 1 300 . 1 . 1 35 35 PRO HG2 H 1 1.683 0.000 . 2 . . . . A 35 PRO HG2 . 30767 1 301 . 1 . 1 35 35 PRO HG3 H 1 0.870 0.000 . 2 . . . . A 35 PRO HG3 . 30767 1 302 . 1 . 1 35 35 PRO HD2 H 1 3.533 0.000 . 2 . . . . A 35 PRO HD2 . 30767 1 303 . 1 . 1 35 35 PRO HD3 H 1 3.351 0.000 . 2 . . . . A 35 PRO HD3 . 30767 1 304 . 1 . 1 35 35 PRO CA C 13 61.028 0.000 . 1 . . . . A 35 PRO CA . 30767 1 305 . 1 . 1 35 35 PRO CB C 13 29.437 0.023 . 1 . . . . A 35 PRO CB . 30767 1 306 . 1 . 1 35 35 PRO CG C 13 26.861 0.000 . 1 . . . . A 35 PRO CG . 30767 1 307 . 1 . 1 36 36 PRO HA H 1 3.978 0.000 . 1 . . . . A 36 PRO HA . 30767 1 308 . 1 . 1 36 36 PRO HB2 H 1 2.388 0.000 . 2 . . . . A 36 PRO HB2 . 30767 1 309 . 1 . 1 36 36 PRO HB3 H 1 2.081 0.000 . 2 . . . . A 36 PRO HB3 . 30767 1 310 . 1 . 1 36 36 PRO HG2 H 1 2.224 0.000 . 2 . . . . A 36 PRO HG2 . 30767 1 311 . 1 . 1 36 36 PRO HG3 H 1 2.037 0.000 . 2 . . . . A 36 PRO HG3 . 30767 1 312 . 1 . 1 36 36 PRO HD2 H 1 3.537 0.000 . 2 . . . . A 36 PRO HD2 . 30767 1 313 . 1 . 1 36 36 PRO HD3 H 1 3.137 0.000 . 2 . . . . A 36 PRO HD3 . 30767 1 314 . 1 . 1 36 36 PRO CA C 13 65.676 0.000 . 1 . . . . A 36 PRO CA . 30767 1 315 . 1 . 1 36 36 PRO CB C 13 31.737 0.000 . 1 . . . . A 36 PRO CB . 30767 1 316 . 1 . 1 36 36 PRO CG C 13 27.794 0.013 . 1 . . . . A 36 PRO CG . 30767 1 317 . 1 . 1 37 37 TRP H H 1 6.527 0.002 . 1 . . . . A 37 TRP H . 30767 1 318 . 1 . 1 37 37 TRP HA H 1 4.761 0.000 . 1 . . . . A 37 TRP HA . 30767 1 319 . 1 . 1 37 37 TRP HB2 H 1 3.565 0.000 . 2 . . . . A 37 TRP HB2 . 30767 1 320 . 1 . 1 37 37 TRP HB3 H 1 3.415 0.000 . 2 . . . . A 37 TRP HB3 . 30767 1 321 . 1 . 1 37 37 TRP HD1 H 1 7.349 0.004 . 1 . . . . A 37 TRP HD1 . 30767 1 322 . 1 . 1 37 37 TRP HE1 H 1 10.619 0.000 . 1 . . . . A 37 TRP HE1 . 30767 1 323 . 1 . 1 37 37 TRP HE3 H 1 7.825 0.000 . 1 . . . . A 37 TRP HE3 . 30767 1 324 . 1 . 1 37 37 TRP HZ2 H 1 7.663 0.004 . 1 . . . . A 37 TRP HZ2 . 30767 1 325 . 1 . 1 37 37 TRP HZ3 H 1 7.368 0.000 . 4 . . . . A 37 TRP HZ3 . 30767 1 326 . 1 . 1 37 37 TRP HH2 H 1 7.368 0.000 . 4 . . . . A 37 TRP HH2 . 30767 1 327 . 1 . 1 37 37 TRP CA C 13 58.593 0.000 . 1 . . . . A 37 TRP CA . 30767 1 328 . 1 . 1 37 37 TRP CB C 13 26.666 0.002 . 1 . . . . A 37 TRP CB . 30767 1 329 . 1 . 1 38 38 GLU H H 1 7.481 0.001 . 1 . . . . A 38 GLU H . 30767 1 330 . 1 . 1 38 38 GLU HA H 1 4.373 0.000 . 1 . . . . A 38 GLU HA . 30767 1 331 . 1 . 1 38 38 GLU HB2 H 1 2.479 0.000 . 2 . . . . A 38 GLU HB2 . 30767 1 332 . 1 . 1 38 38 GLU HB3 H 1 1.280 0.000 . 2 . . . . A 38 GLU HB3 . 30767 1 333 . 1 . 1 38 38 GLU HG2 H 1 2.237 0.000 . 2 . . . . A 38 GLU HG2 . 30767 1 334 . 1 . 1 38 38 GLU HG3 H 1 2.145 0.000 . 2 . . . . A 38 GLU HG3 . 30767 1 335 . 1 . 1 38 38 GLU CA C 13 54.684 0.000 . 1 . . . . A 38 GLU CA . 30767 1 336 . 1 . 1 38 38 GLU CB C 13 29.487 0.000 . 1 . . . . A 38 GLU CB . 30767 1 337 . 1 . 1 38 38 GLU CG C 13 36.004 0.000 . 1 . . . . A 38 GLU CG . 30767 1 338 . 1 . 1 39 39 CYS H H 1 6.706 0.003 . 1 . . . . A 39 CYS H . 30767 1 339 . 1 . 1 39 39 CYS HA H 1 4.475 0.000 . 1 . . . . A 39 CYS HA . 30767 1 340 . 1 . 1 39 39 CYS HB2 H 1 2.849 0.000 . 1 . . . . A 39 CYS HB2 . 30767 1 341 . 1 . 1 39 39 CYS HB3 H 1 2.248 0.000 . 1 . . . . A 39 CYS HB3 . 30767 1 342 . 1 . 1 39 39 CYS CA C 13 54.230 0.000 . 1 . . . . A 39 CYS CA . 30767 1 343 . 1 . 1 39 39 CYS CB C 13 40.669 0.013 . 1 . . . . A 39 CYS CB . 30767 1 344 . 1 . 1 40 40 TYR H H 1 8.636 0.000 . 1 . . . . A 40 TYR H . 30767 1 345 . 1 . 1 40 40 TYR HA H 1 4.413 0.000 . 1 . . . . A 40 TYR HA . 30767 1 346 . 1 . 1 40 40 TYR HB2 H 1 2.397 0.000 . 1 . . . . A 40 TYR HB2 . 30767 1 347 . 1 . 1 40 40 TYR HB3 H 1 1.153 0.000 . 1 . . . . A 40 TYR HB3 . 30767 1 348 . 1 . 1 40 40 TYR HD1 H 1 6.916 0.004 . 3 . . . . A 40 TYR HD1 . 30767 1 349 . 1 . 1 40 40 TYR HD2 H 1 6.916 0.004 . 3 . . . . A 40 TYR HD2 . 30767 1 350 . 1 . 1 40 40 TYR HE1 H 1 6.986 0.000 . 3 . . . . A 40 TYR HE1 . 30767 1 351 . 1 . 1 40 40 TYR HE2 H 1 6.986 0.000 . 3 . . . . A 40 TYR HE2 . 30767 1 352 . 1 . 1 40 40 TYR CA C 13 56.641 0.000 . 1 . . . . A 40 TYR CA . 30767 1 353 . 1 . 1 40 40 TYR CB C 13 37.673 0.000 . 1 . . . . A 40 TYR CB . 30767 1 354 . 1 . 1 41 41 GLN H H 1 8.396 0.003 . 1 . . . . A 41 GLN H . 30767 1 355 . 1 . 1 41 41 GLN HA H 1 4.182 0.000 . 1 . . . . A 41 GLN HA . 30767 1 356 . 1 . 1 41 41 GLN HB2 H 1 2.098 0.000 . 2 . . . . A 41 GLN HB2 . 30767 1 357 . 1 . 1 41 41 GLN HB3 H 1 2.029 0.000 . 2 . . . . A 41 GLN HB3 . 30767 1 358 . 1 . 1 41 41 GLN HG2 H 1 2.544 0.000 . 2 . . . . A 41 GLN HG2 . 30767 1 359 . 1 . 1 41 41 GLN HG3 H 1 2.420 0.000 . 2 . . . . A 41 GLN HG3 . 30767 1 360 . 1 . 1 41 41 GLN HE21 H 1 7.156 0.000 . 2 . . . . A 41 GLN HE21 . 30767 1 361 . 1 . 1 41 41 GLN HE22 H 1 6.749 0.004 . 2 . . . . A 41 GLN HE22 . 30767 1 362 . 1 . 1 41 41 GLN CA C 13 56.929 0.000 . 1 . . . . A 41 GLN CA . 30767 1 363 . 1 . 1 41 41 GLN CB C 13 29.071 0.000 . 1 . . . . A 41 GLN CB . 30767 1 364 . 1 . 1 41 41 GLN CG C 13 35.124 0.000 . 1 . . . . A 41 GLN CG . 30767 1 365 . 1 . 1 42 42 CYS H H 1 8.375 0.000 . 1 . . . . A 42 CYS H . 30767 1 366 . 1 . 1 42 42 CYS HA H 1 4.546 0.000 . 1 . . . . A 42 CYS HA . 30767 1 367 . 1 . 1 42 42 CYS HB2 H 1 3.079 0.000 . 1 . . . . A 42 CYS HB2 . 30767 1 368 . 1 . 1 42 42 CYS HB3 H 1 2.390 0.000 . 1 . . . . A 42 CYS HB3 . 30767 1 369 . 1 . 1 42 42 CYS CA C 13 57.500 0.000 . 1 . . . . A 42 CYS CA . 30767 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 212 30767 1 1 213 30767 1 2 325 30767 1 2 326 30767 1 stop_ save_