################################### # 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 51942 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Chemical-shifts_H2O_25C _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 3 '2D 1H-1H TOCSY' . . . 51942 1 4 '2D 1H-1H NOESY' . . . 51942 1 5 '2D 1H-13C HSQC aliphatic' . . . 51942 1 6 '2D 1H-13C HSQC aromatic' . . . 51942 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 51942 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 SER HA H 1 4.086 0.004 . 1 . . . . . 1 SER HA . 51942 1 2 . 1 . 1 1 1 SER HB2 H 1 3.906 0.006 . 2 . . . . . 1 SER HB2 . 51942 1 3 . 1 . 1 1 1 SER HB3 H 1 3.964 0.003 . 2 . . . . . 1 SER HB3 . 51942 1 4 . 1 . 1 1 1 SER CA C 13 57.349 0.000 . 1 . . . . . 1 SER CA . 51942 1 5 . 1 . 1 1 1 SER CB C 13 63.079 0.025 . 1 . . . . . 1 SER CB . 51942 1 6 . 1 . 1 2 2 TYR H H 1 8.664 0.001 . 1 . . . . . 2 TYR H . 51942 1 7 . 1 . 1 2 2 TYR HA H 1 4.725 0.002 . 1 . . . . . 2 TYR HA . 51942 1 8 . 1 . 1 2 2 TYR HB2 H 1 2.982 0.002 . 2 . . . . . 2 TYR HB2 . 51942 1 9 . 1 . 1 2 2 TYR HB3 H 1 2.982 0.002 . 2 . . . . . 2 TYR HB3 . 51942 1 10 . 1 . 1 2 2 TYR HD1 H 1 7.112 0.002 . 1 . . . . . 2 TYR HD1 . 51942 1 11 . 1 . 1 2 2 TYR HD2 H 1 7.112 0.002 . 1 . . . . . 2 TYR HD2 . 51942 1 12 . 1 . 1 2 2 TYR HE1 H 1 6.802 0.002 . 1 . . . . . 2 TYR HE1 . 51942 1 13 . 1 . 1 2 2 TYR HE2 H 1 6.802 0.002 . 1 . . . . . 2 TYR HE2 . 51942 1 14 . 1 . 1 2 2 TYR CA C 13 57.782 0.000 . 1 . . . . . 2 TYR CA . 51942 1 15 . 1 . 1 2 2 TYR CB C 13 38.987 0.000 . 1 . . . . . 2 TYR CB . 51942 1 16 . 1 . 1 2 2 TYR CD1 C 13 133.214 0.000 . 1 . . . . . 2 TYR CD1 . 51942 1 17 . 1 . 1 2 2 TYR CD2 C 13 133.214 0.000 . 1 . . . . . 2 TYR CD2 . 51942 1 18 . 1 . 1 2 2 TYR CE1 C 13 118.316 0.000 . 1 . . . . . 2 TYR CE1 . 51942 1 19 . 1 . 1 2 2 TYR CE2 C 13 118.316 0.000 . 1 . . . . . 2 TYR CE2 . 51942 1 20 . 1 . 1 3 3 VAL H H 1 8.206 0.003 . 1 . . . . . 3 VAL H . 51942 1 21 . 1 . 1 3 3 VAL HA H 1 4.122 0.005 . 1 . . . . . 3 VAL HA . 51942 1 22 . 1 . 1 3 3 VAL HB H 1 2.075 0.005 . 1 . . . . . 3 VAL HB . 51942 1 23 . 1 . 1 3 3 VAL HG11 H 1 0.926 0.002 . 2 . . . . . 3 VAL QG1 . 51942 1 24 . 1 . 1 3 3 VAL HG12 H 1 0.926 0.002 . 2 . . . . . 3 VAL QG1 . 51942 1 25 . 1 . 1 3 3 VAL HG13 H 1 0.926 0.002 . 2 . . . . . 3 VAL QG1 . 51942 1 26 . 1 . 1 3 3 VAL HG21 H 1 0.939 0.003 . 2 . . . . . 3 VAL QG2 . 51942 1 27 . 1 . 1 3 3 VAL HG22 H 1 0.939 0.003 . 2 . . . . . 3 VAL QG2 . 51942 1 28 . 1 . 1 3 3 VAL HG23 H 1 0.939 0.003 . 2 . . . . . 3 VAL QG2 . 51942 1 29 . 1 . 1 3 3 VAL CA C 13 62.619 0.000 . 1 . . . . . 3 VAL CA . 51942 1 30 . 1 . 1 3 3 VAL CB C 13 32.947 0.000 . 1 . . . . . 3 VAL CB . 51942 1 31 . 1 . 1 3 3 VAL CG1 C 13 20.352 0.000 . 1 . . . . . 3 VAL CG1 . 51942 1 32 . 1 . 1 3 3 VAL CG2 C 13 21.153 0.000 . 1 . . . . . 3 VAL CG2 . 51942 1 33 . 1 . 1 4 4 GLY H H 1 7.839 0.001 . 1 . . . . . 4 GLY H . 51942 1 34 . 1 . 1 4 4 GLY HA2 H 1 3.942 0.004 . 2 . . . . . 4 GLY HA2 . 51942 1 35 . 1 . 1 4 4 GLY HA3 H 1 4.035 0.001 . 2 . . . . . 4 GLY HA3 . 51942 1 36 . 1 . 1 4 4 GLY CA C 13 44.800 0.000 . 1 . . . . . 4 GLY CA . 51942 1 37 . 1 . 1 5 5 ASP H H 1 8.247 0.003 . 1 . . . . . 5 ASP H . 51942 1 38 . 1 . 1 5 5 ASP HA H 1 4.669 0.003 . 1 . . . . . 5 ASP HA . 51942 1 39 . 1 . 1 5 5 ASP HB2 H 1 2.694 0.002 . 2 . . . . . 5 ASP HB2 . 51942 1 40 . 1 . 1 5 5 ASP HB3 H 1 2.884 0.002 . 2 . . . . . 5 ASP HB3 . 51942 1 41 . 1 . 1 5 5 ASP CA C 13 54.366 0.000 . 1 . . . . . 5 ASP CA . 51942 1 42 . 1 . 1 5 5 ASP CB C 13 42.155 0.020 . 1 . . . . . 5 ASP CB . 51942 1 43 . 1 . 1 6 6 CYS H H 1 8.643 0.001 . 1 . . . . . 6 CYS H . 51942 1 44 . 1 . 1 6 6 CYS HA H 1 3.865 0.002 . 1 . . . . . 6 CYS HA . 51942 1 45 . 1 . 1 6 6 CYS HB2 H 1 2.838 0.004 . 2 . . . . . 6 CYS HB2 . 51942 1 46 . 1 . 1 6 6 CYS HB3 H 1 2.930 0.002 . 2 . . . . . 6 CYS HB3 . 51942 1 47 . 1 . 1 6 6 CYS CA C 13 60.096 0.000 . 1 . . . . . 6 CYS CA . 51942 1 48 . 1 . 1 6 6 CYS CB C 13 39.892 0.007 . 1 . . . . . 6 CYS CB . 51942 1 49 . 1 . 1 7 7 GLY H H 1 8.602 0.004 . 1 . . . . . 7 GLY H . 51942 1 50 . 1 . 1 7 7 GLY HA2 H 1 3.794 0.002 . 2 . . . . . 7 GLY HA2 . 51942 1 51 . 1 . 1 7 7 GLY HA3 H 1 4.323 0.003 . 2 . . . . . 7 GLY HA3 . 51942 1 52 . 1 . 1 7 7 GLY CA C 13 46.519 0.002 . 1 . . . . . 7 GLY CA . 51942 1 53 . 1 . 1 8 8 SER H H 1 8.045 0.001 . 1 . . . . . 8 SER H . 51942 1 54 . 1 . 1 8 8 SER HA H 1 4.429 0.001 . 1 . . . . . 8 SER HA . 51942 1 55 . 1 . 1 8 8 SER HB2 H 1 3.847 0.002 . 2 . . . . . 8 SER HB2 . 51942 1 56 . 1 . 1 8 8 SER HB3 H 1 3.893 0.003 . 2 . . . . . 8 SER HB3 . 51942 1 57 . 1 . 1 8 8 SER CA C 13 60.128 0.000 . 1 . . . . . 8 SER CA . 51942 1 58 . 1 . 1 8 8 SER CB C 13 62.940 0.013 . 1 . . . . . 8 SER CB . 51942 1 59 . 1 . 1 9 9 ASN H H 1 7.267 0.001 . 1 . . . . . 9 ASN H . 51942 1 60 . 1 . 1 9 9 ASN HA H 1 4.721 0.003 . 1 . . . . . 9 ASN HA . 51942 1 61 . 1 . 1 9 9 ASN HB2 H 1 1.538 0.001 . 2 . . . . . 9 ASN HB2 . 51942 1 62 . 1 . 1 9 9 ASN HB3 H 1 2.405 0.001 . 2 . . . . . 9 ASN HB3 . 51942 1 63 . 1 . 1 9 9 ASN HD21 H 1 6.810 0.000 . 2 . . . . . 9 ASN HD21 . 51942 1 64 . 1 . 1 9 9 ASN HD22 H 1 7.111 0.002 . 2 . . . . . 9 ASN HD22 . 51942 1 65 . 1 . 1 9 9 ASN CA C 13 53.386 0.000 . 1 . . . . . 9 ASN CA . 51942 1 66 . 1 . 1 9 9 ASN CB C 13 40.129 0.000 . 1 . . . . . 9 ASN CB . 51942 1 67 . 1 . 1 10 10 GLY H H 1 7.756 0.001 . 1 . . . . . 10 GLY H . 51942 1 68 . 1 . 1 10 10 GLY HA2 H 1 3.740 0.001 . 2 . . . . . 10 GLY HA2 . 51942 1 69 . 1 . 1 10 10 GLY HA3 H 1 4.156 0.005 . 2 . . . . . 10 GLY HA3 . 51942 1 70 . 1 . 1 10 10 GLY CA C 13 46.124 0.016 . 1 . . . . . 10 GLY CA . 51942 1 71 . 1 . 1 11 11 GLY H H 1 7.887 0.002 . 1 . . . . . 11 GLY H . 51942 1 72 . 1 . 1 11 11 GLY HA2 H 1 3.320 0.001 . 2 . . . . . 11 GLY HA2 . 51942 1 73 . 1 . 1 11 11 GLY HA3 H 1 4.827 0.004 . 2 . . . . . 11 GLY HA3 . 51942 1 74 . 1 . 1 11 11 GLY CA C 13 44.189 0.000 . 1 . . . . . 11 GLY CA . 51942 1 75 . 1 . 1 12 12 SER H H 1 8.580 0.002 . 1 . . . . . 12 SER H . 51942 1 76 . 1 . 1 12 12 SER HA H 1 4.553 0.001 . 1 . . . . . 12 SER HA . 51942 1 77 . 1 . 1 12 12 SER HB2 H 1 3.601 0.004 . 2 . . . . . 12 SER HB2 . 51942 1 78 . 1 . 1 12 12 SER HB3 H 1 3.684 0.001 . 2 . . . . . 12 SER HB3 . 51942 1 79 . 1 . 1 12 12 SER CA C 13 57.285 0.000 . 1 . . . . . 12 SER CA . 51942 1 80 . 1 . 1 12 12 SER CB C 13 65.994 0.002 . 1 . . . . . 12 SER CB . 51942 1 81 . 1 . 1 13 13 CYS H H 1 8.952 0.001 . 1 . . . . . 13 CYS H . 51942 1 82 . 1 . 1 13 13 CYS HA H 1 5.223 0.003 . 1 . . . . . 13 CYS HA . 51942 1 83 . 1 . 1 13 13 CYS HB2 H 1 2.599 0.002 . 2 . . . . . 13 CYS HB2 . 51942 1 84 . 1 . 1 13 13 CYS HB3 H 1 3.017 0.002 . 2 . . . . . 13 CYS HB3 . 51942 1 85 . 1 . 1 13 13 CYS CA C 13 54.309 0.000 . 1 . . . . . 13 CYS CA . 51942 1 86 . 1 . 1 13 13 CYS CB C 13 38.933 0.022 . 1 . . . . . 13 CYS CB . 51942 1 87 . 1 . 1 14 14 VAL H H 1 9.206 0.002 . 1 . . . . . 14 VAL H . 51942 1 88 . 1 . 1 14 14 VAL HA H 1 4.894 0.002 . 1 . . . . . 14 VAL HA . 51942 1 89 . 1 . 1 14 14 VAL HB H 1 2.369 0.001 . 1 . . . . . 14 VAL HB . 51942 1 90 . 1 . 1 14 14 VAL HG11 H 1 0.909 0.003 . 2 . . . . . 14 VAL QG1 . 51942 1 91 . 1 . 1 14 14 VAL HG12 H 1 0.909 0.003 . 2 . . . . . 14 VAL QG1 . 51942 1 92 . 1 . 1 14 14 VAL HG13 H 1 0.909 0.003 . 2 . . . . . 14 VAL QG1 . 51942 1 93 . 1 . 1 14 14 VAL HG21 H 1 0.965 0.003 . 2 . . . . . 14 VAL QG2 . 51942 1 94 . 1 . 1 14 14 VAL HG22 H 1 0.965 0.003 . 2 . . . . . 14 VAL QG2 . 51942 1 95 . 1 . 1 14 14 VAL HG23 H 1 0.965 0.003 . 2 . . . . . 14 VAL QG2 . 51942 1 96 . 1 . 1 14 14 VAL CA C 13 59.713 0.000 . 1 . . . . . 14 VAL CA . 51942 1 97 . 1 . 1 14 14 VAL CB C 13 35.351 0.000 . 1 . . . . . 14 VAL CB . 51942 1 98 . 1 . 1 14 14 VAL CG1 C 13 21.536 0.000 . 1 . . . . . 14 VAL CG1 . 51942 1 99 . 1 . 1 14 14 VAL CG2 C 13 18.032 0.000 . 1 . . . . . 14 VAL CG2 . 51942 1 100 . 1 . 1 15 15 SER H H 1 9.111 0.002 . 1 . . . . . 15 SER H . 51942 1 101 . 1 . 1 15 15 SER HA H 1 4.820 0.001 . 1 . . . . . 15 SER HA . 51942 1 102 . 1 . 1 15 15 SER HB2 H 1 3.767 0.001 . 2 . . . . . 15 SER HB2 . 51942 1 103 . 1 . 1 15 15 SER HB3 H 1 4.023 0.001 . 2 . . . . . 15 SER HB3 . 51942 1 104 . 1 . 1 15 15 SER CA C 13 57.996 0.000 . 1 . . . . . 15 SER CA . 51942 1 105 . 1 . 1 15 15 SER CB C 13 64.122 0.008 . 1 . . . . . 15 SER CB . 51942 1 106 . 1 . 1 16 16 SER H H 1 7.284 0.001 . 1 . . . . . 16 SER H . 51942 1 107 . 1 . 1 16 16 SER HA H 1 4.512 0.003 . 1 . . . . . 16 SER HA . 51942 1 108 . 1 . 1 16 16 SER HB2 H 1 3.895 0.002 . 2 . . . . . 16 SER HB2 . 51942 1 109 . 1 . 1 16 16 SER HB3 H 1 4.103 0.002 . 2 . . . . . 16 SER HB3 . 51942 1 110 . 1 . 1 16 16 SER CA C 13 56.637 0.000 . 1 . . . . . 16 SER CA . 51942 1 111 . 1 . 1 16 16 SER CB C 13 64.406 0.002 . 1 . . . . . 16 SER CB . 51942 1 112 . 1 . 1 17 17 TYR H H 1 8.430 0.000 . 1 . . . . . 17 TYR H . 51942 1 113 . 1 . 1 17 17 TYR HA H 1 4.217 0.002 . 1 . . . . . 17 TYR HA . 51942 1 114 . 1 . 1 17 17 TYR HB2 H 1 2.744 0.001 . 2 . . . . . 17 TYR HB2 . 51942 1 115 . 1 . 1 17 17 TYR HB3 H 1 3.124 0.001 . 2 . . . . . 17 TYR HB3 . 51942 1 116 . 1 . 1 17 17 TYR HD1 H 1 7.049 0.002 . 1 . . . . . 17 TYR HD1 . 51942 1 117 . 1 . 1 17 17 TYR HD2 H 1 7.049 0.002 . 1 . . . . . 17 TYR HD2 . 51942 1 118 . 1 . 1 17 17 TYR HE1 H 1 6.740 0.001 . 1 . . . . . 17 TYR HE1 . 51942 1 119 . 1 . 1 17 17 TYR HE2 H 1 6.740 0.001 . 1 . . . . . 17 TYR HE2 . 51942 1 120 . 1 . 1 17 17 TYR CA C 13 59.468 0.000 . 1 . . . . . 17 TYR CA . 51942 1 121 . 1 . 1 17 17 TYR CB C 13 38.468 0.001 . 1 . . . . . 17 TYR CB . 51942 1 122 . 1 . 1 17 17 TYR CD1 C 13 133.208 0.000 . 1 . . . . . 17 TYR CD1 . 51942 1 123 . 1 . 1 17 17 TYR CD2 C 13 133.208 0.000 . 1 . . . . . 17 TYR CD2 . 51942 1 124 . 1 . 1 17 17 TYR CE1 C 13 118.006 0.000 . 1 . . . . . 17 TYR CE1 . 51942 1 125 . 1 . 1 17 17 TYR CE2 C 13 118.006 0.000 . 1 . . . . . 17 TYR CE2 . 51942 1 126 . 1 . 1 18 18 CYS H H 1 8.233 0.001 . 1 . . . . . 18 CYS H . 51942 1 127 . 1 . 1 18 18 CYS HA H 1 4.947 0.003 . 1 . . . . . 18 CYS HA . 51942 1 128 . 1 . 1 18 18 CYS HB2 H 1 2.326 0.001 . 2 . . . . . 18 CYS HB2 . 51942 1 129 . 1 . 1 18 18 CYS HB3 H 1 2.880 0.001 . 2 . . . . . 18 CYS HB3 . 51942 1 130 . 1 . 1 18 18 CYS CA C 13 51.846 0.000 . 1 . . . . . 18 CYS CA . 51942 1 131 . 1 . 1 18 18 CYS CB C 13 42.355 0.011 . 1 . . . . . 18 CYS CB . 51942 1 132 . 1 . 1 19 19 PRO HA H 1 4.144 0.001 . 1 . . . . . 19 PRO HA . 51942 1 133 . 1 . 1 19 19 PRO HB2 H 1 1.855 0.002 . 2 . . . . . 19 PRO HB2 . 51942 1 134 . 1 . 1 19 19 PRO HB3 H 1 2.450 0.005 . 2 . . . . . 19 PRO HB3 . 51942 1 135 . 1 . 1 19 19 PRO HG2 H 1 1.975 0.004 . 2 . . . . . 19 PRO HG2 . 51942 1 136 . 1 . 1 19 19 PRO HG3 H 1 2.046 0.002 . 2 . . . . . 19 PRO HG3 . 51942 1 137 . 1 . 1 19 19 PRO HD2 H 1 3.451 0.000 . 2 . . . . . 19 PRO HD2 . 51942 1 138 . 1 . 1 19 19 PRO HD3 H 1 3.658 0.002 . 2 . . . . . 19 PRO HD3 . 51942 1 139 . 1 . 1 19 19 PRO CA C 13 63.013 0.000 . 1 . . . . . 19 PRO CA . 51942 1 140 . 1 . 1 19 19 PRO CB C 13 32.326 0.003 . 1 . . . . . 19 PRO CB . 51942 1 141 . 1 . 1 19 19 PRO CG C 13 27.596 0.001 . 1 . . . . . 19 PRO CG . 51942 1 142 . 1 . 1 19 19 PRO CD C 13 51.379 0.002 . 1 . . . . . 19 PRO CD . 51942 1 143 . 1 . 1 20 20 TYR H H 1 8.445 0.001 . 1 . . . . . 20 TYR H . 51942 1 144 . 1 . 1 20 20 TYR HA H 1 3.759 0.003 . 1 . . . . . 20 TYR HA . 51942 1 145 . 1 . 1 20 20 TYR HB2 H 1 2.983 0.003 . 2 . . . . . 20 TYR HB2 . 51942 1 146 . 1 . 1 20 20 TYR HB3 H 1 3.055 0.003 . 2 . . . . . 20 TYR HB3 . 51942 1 147 . 1 . 1 20 20 TYR HD1 H 1 7.132 0.001 . 1 . . . . . 20 TYR HD1 . 51942 1 148 . 1 . 1 20 20 TYR HD2 H 1 7.132 0.001 . 1 . . . . . 20 TYR HD2 . 51942 1 149 . 1 . 1 20 20 TYR HE1 H 1 6.878 0.002 . 1 . . . . . 20 TYR HE1 . 51942 1 150 . 1 . 1 20 20 TYR HE2 H 1 6.878 0.002 . 1 . . . . . 20 TYR HE2 . 51942 1 151 . 1 . 1 20 20 TYR CA C 13 62.596 0.000 . 1 . . . . . 20 TYR CA . 51942 1 152 . 1 . 1 20 20 TYR CB C 13 38.472 0.005 . 1 . . . . . 20 TYR CB . 51942 1 153 . 1 . 1 20 20 TYR CD1 C 13 132.826 0.000 . 1 . . . . . 20 TYR CD1 . 51942 1 154 . 1 . 1 20 20 TYR CD2 C 13 132.826 0.000 . 1 . . . . . 20 TYR CD2 . 51942 1 155 . 1 . 1 20 20 TYR CE1 C 13 118.588 0.000 . 1 . . . . . 20 TYR CE1 . 51942 1 156 . 1 . 1 20 20 TYR CE2 C 13 118.588 0.000 . 1 . . . . . 20 TYR CE2 . 51942 1 157 . 1 . 1 21 21 GLY H H 1 8.915 0.001 . 1 . . . . . 21 GLY H . 51942 1 158 . 1 . 1 21 21 GLY HA2 H 1 3.884 0.002 . 2 . . . . . 21 GLY HA2 . 51942 1 159 . 1 . 1 21 21 GLY HA3 H 1 3.884 0.002 . 2 . . . . . 21 GLY HA3 . 51942 1 160 . 1 . 1 21 21 GLY CA C 13 45.926 0.000 . 1 . . . . . 21 GLY CA . 51942 1 161 . 1 . 1 22 22 ASN H H 1 8.145 0.002 . 1 . . . . . 22 ASN H . 51942 1 162 . 1 . 1 22 22 ASN HA H 1 4.860 0.004 . 1 . . . . . 22 ASN HA . 51942 1 163 . 1 . 1 22 22 ASN HB2 H 1 2.594 0.003 . 2 . . . . . 22 ASN HB2 . 51942 1 164 . 1 . 1 22 22 ASN HB3 H 1 3.137 0.003 . 2 . . . . . 22 ASN HB3 . 51942 1 165 . 1 . 1 22 22 ASN HD21 H 1 6.917 0.000 . 2 . . . . . 22 ASN HD21 . 51942 1 166 . 1 . 1 22 22 ASN HD22 H 1 6.998 0.001 . 2 . . . . . 22 ASN HD22 . 51942 1 167 . 1 . 1 22 22 ASN CA C 13 52.189 0.000 . 1 . . . . . 22 ASN CA . 51942 1 168 . 1 . 1 22 22 ASN CB C 13 39.714 0.004 . 1 . . . . . 22 ASN CB . 51942 1 169 . 1 . 1 23 23 ARG H H 1 7.276 0.001 . 1 . . . . . 23 ARG H . 51942 1 170 . 1 . 1 23 23 ARG HA H 1 4.624 0.003 . 1 . . . . . 23 ARG HA . 51942 1 171 . 1 . 1 23 23 ARG HB2 H 1 1.679 0.003 . 2 . . . . . 23 ARG HB2 . 51942 1 172 . 1 . 1 23 23 ARG HB3 H 1 1.806 0.004 . 2 . . . . . 23 ARG HB3 . 51942 1 173 . 1 . 1 23 23 ARG HG2 H 1 1.265 0.003 . 2 . . . . . 23 ARG HG2 . 51942 1 174 . 1 . 1 23 23 ARG HG3 H 1 1.681 0.001 . 2 . . . . . 23 ARG HG3 . 51942 1 175 . 1 . 1 23 23 ARG HD2 H 1 2.936 0.001 . 2 . . . . . 23 ARG HD2 . 51942 1 176 . 1 . 1 23 23 ARG HD3 H 1 3.130 0.004 . 2 . . . . . 23 ARG HD3 . 51942 1 177 . 1 . 1 23 23 ARG HE H 1 6.667 0.002 . 1 . . . . . 23 ARG HE . 51942 1 178 . 1 . 1 23 23 ARG CA C 13 57.289 0.000 . 1 . . . . . 23 ARG CA . 51942 1 179 . 1 . 1 23 23 ARG CB C 13 30.624 0.001 . 1 . . . . . 23 ARG CB . 51942 1 180 . 1 . 1 23 23 ARG CG C 13 28.297 0.003 . 1 . . . . . 23 ARG CG . 51942 1 181 . 1 . 1 23 23 ARG CD C 13 43.825 0.028 . 1 . . . . . 23 ARG CD . 51942 1 182 . 1 . 1 24 24 LEU H H 1 8.457 0.002 . 1 . . . . . 24 LEU H . 51942 1 183 . 1 . 1 24 24 LEU HA H 1 4.653 0.002 . 1 . . . . . 24 LEU HA . 51942 1 184 . 1 . 1 24 24 LEU HB2 H 1 1.494 0.006 . 2 . . . . . 24 LEU HB2 . 51942 1 185 . 1 . 1 24 24 LEU HB3 H 1 1.569 0.003 . 2 . . . . . 24 LEU HB3 . 51942 1 186 . 1 . 1 24 24 LEU HG H 1 1.561 0.002 . 1 . . . . . 24 LEU HG . 51942 1 187 . 1 . 1 24 24 LEU HD11 H 1 0.795 0.001 . 2 . . . . . 24 LEU QD1 . 51942 1 188 . 1 . 1 24 24 LEU HD12 H 1 0.795 0.001 . 2 . . . . . 24 LEU QD1 . 51942 1 189 . 1 . 1 24 24 LEU HD13 H 1 0.795 0.001 . 2 . . . . . 24 LEU QD1 . 51942 1 190 . 1 . 1 24 24 LEU HD21 H 1 0.884 0.003 . 2 . . . . . 24 LEU QD2 . 51942 1 191 . 1 . 1 24 24 LEU HD22 H 1 0.884 0.003 . 2 . . . . . 24 LEU QD2 . 51942 1 192 . 1 . 1 24 24 LEU HD23 H 1 0.884 0.003 . 2 . . . . . 24 LEU QD2 . 51942 1 193 . 1 . 1 24 24 LEU CA C 13 52.662 0.000 . 1 . . . . . 24 LEU CA . 51942 1 194 . 1 . 1 24 24 LEU CB C 13 45.490 0.004 . 1 . . . . . 24 LEU CB . 51942 1 195 . 1 . 1 24 24 LEU CG C 13 26.983 0.000 . 1 . . . . . 24 LEU CG . 51942 1 196 . 1 . 1 24 24 LEU CD1 C 13 25.470 0.000 . 1 . . . . . 24 LEU CD1 . 51942 1 197 . 1 . 1 24 24 LEU CD2 C 13 22.893 0.000 . 1 . . . . . 24 LEU CD2 . 51942 1 198 . 1 . 1 25 25 ASN H H 1 8.690 0.001 . 1 . . . . . 25 ASN H . 51942 1 199 . 1 . 1 25 25 ASN HA H 1 4.665 0.002 . 1 . . . . . 25 ASN HA . 51942 1 200 . 1 . 1 25 25 ASN HB2 H 1 2.338 0.002 . 2 . . . . . 25 ASN HB2 . 51942 1 201 . 1 . 1 25 25 ASN HB3 H 1 2.534 0.002 . 2 . . . . . 25 ASN HB3 . 51942 1 202 . 1 . 1 25 25 ASN HD21 H 1 6.744 0.000 . 2 . . . . . 25 ASN HD21 . 51942 1 203 . 1 . 1 25 25 ASN HD22 H 1 7.310 0.001 . 2 . . . . . 25 ASN HD22 . 51942 1 204 . 1 . 1 25 25 ASN CA C 13 52.240 0.000 . 1 . . . . . 25 ASN CA . 51942 1 205 . 1 . 1 25 25 ASN CB C 13 36.781 0.001 . 1 . . . . . 25 ASN CB . 51942 1 206 . 1 . 1 26 26 TYR H H 1 7.196 0.002 . 1 . . . . . 26 TYR H . 51942 1 207 . 1 . 1 26 26 TYR HA H 1 4.687 0.001 . 1 . . . . . 26 TYR HA . 51942 1 208 . 1 . 1 26 26 TYR HB2 H 1 2.529 0.001 . 2 . . . . . 26 TYR HB2 . 51942 1 209 . 1 . 1 26 26 TYR HB3 H 1 3.067 0.001 . 2 . . . . . 26 TYR HB3 . 51942 1 210 . 1 . 1 26 26 TYR HD1 H 1 6.948 0.002 . 1 . . . . . 26 TYR HD1 . 51942 1 211 . 1 . 1 26 26 TYR HD2 H 1 6.948 0.002 . 1 . . . . . 26 TYR HD2 . 51942 1 212 . 1 . 1 26 26 TYR HE1 H 1 6.691 0.000 . 1 . . . . . 26 TYR HE1 . 51942 1 213 . 1 . 1 26 26 TYR HE2 H 1 6.691 0.000 . 1 . . . . . 26 TYR HE2 . 51942 1 214 . 1 . 1 26 26 TYR CA C 13 56.649 0.000 . 1 . . . . . 26 TYR CA . 51942 1 215 . 1 . 1 26 26 TYR CB C 13 42.239 0.004 . 1 . . . . . 26 TYR CB . 51942 1 216 . 1 . 1 26 26 TYR CD1 C 13 133.052 0.000 . 1 . . . . . 26 TYR CD1 . 51942 1 217 . 1 . 1 26 26 TYR CD2 C 13 133.052 0.000 . 1 . . . . . 26 TYR CD2 . 51942 1 218 . 1 . 1 26 26 TYR CE1 C 13 118.167 0.000 . 1 . . . . . 26 TYR CE1 . 51942 1 219 . 1 . 1 26 26 TYR CE2 C 13 118.167 0.000 . 1 . . . . . 26 TYR CE2 . 51942 1 220 . 1 . 1 27 27 PHE H H 1 8.787 0.001 . 1 . . . . . 27 PHE H . 51942 1 221 . 1 . 1 27 27 PHE HA H 1 4.381 0.001 . 1 . . . . . 27 PHE HA . 51942 1 222 . 1 . 1 27 27 PHE HB2 H 1 2.898 0.003 . 2 . . . . . 27 PHE HB2 . 51942 1 223 . 1 . 1 27 27 PHE HB3 H 1 3.233 0.002 . 2 . . . . . 27 PHE HB3 . 51942 1 224 . 1 . 1 27 27 PHE HD1 H 1 7.212 0.002 . 1 . . . . . 27 PHE HD1 . 51942 1 225 . 1 . 1 27 27 PHE HD2 H 1 7.212 0.002 . 1 . . . . . 27 PHE HD2 . 51942 1 226 . 1 . 1 27 27 PHE HE1 H 1 7.317 0.001 . 1 . . . . . 27 PHE HE1 . 51942 1 227 . 1 . 1 27 27 PHE HE2 H 1 7.317 0.001 . 1 . . . . . 27 PHE HE2 . 51942 1 228 . 1 . 1 27 27 PHE HZ H 1 7.289 0.000 . 1 . . . . . 27 PHE HZ . 51942 1 229 . 1 . 1 27 27 PHE CA C 13 60.231 0.000 . 1 . . . . . 27 PHE CA . 51942 1 230 . 1 . 1 27 27 PHE CB C 13 40.297 0.004 . 1 . . . . . 27 PHE CB . 51942 1 231 . 1 . 1 27 27 PHE CD1 C 13 131.834 0.000 . 1 . . . . . 27 PHE CD1 . 51942 1 232 . 1 . 1 27 27 PHE CD2 C 13 131.834 0.000 . 1 . . . . . 27 PHE CD2 . 51942 1 233 . 1 . 1 27 27 PHE CE1 C 13 131.468 0.000 . 1 . . . . . 27 PHE CE1 . 51942 1 234 . 1 . 1 27 27 PHE CE2 C 13 131.468 0.000 . 1 . . . . . 27 PHE CE2 . 51942 1 235 . 1 . 1 27 27 PHE CZ C 13 129.842 0.000 . 1 . . . . . 27 PHE CZ . 51942 1 236 . 1 . 1 28 28 CYS H H 1 7.663 0.002 . 1 . . . . . 28 CYS H . 51942 1 237 . 1 . 1 28 28 CYS HA H 1 4.712 0.001 . 1 . . . . . 28 CYS HA . 51942 1 238 . 1 . 1 28 28 CYS HB2 H 1 2.443 0.001 . 2 . . . . . 28 CYS HB2 . 51942 1 239 . 1 . 1 28 28 CYS HB3 H 1 2.548 0.003 . 2 . . . . . 28 CYS HB3 . 51942 1 240 . 1 . 1 28 28 CYS CA C 13 53.314 0.000 . 1 . . . . . 28 CYS CA . 51942 1 241 . 1 . 1 28 28 CYS CB C 13 43.763 0.003 . 1 . . . . . 28 CYS CB . 51942 1 242 . 1 . 1 29 29 PRO HA H 1 4.311 0.001 . 1 . . . . . 29 PRO HA . 51942 1 243 . 1 . 1 29 29 PRO HB2 H 1 1.859 0.002 . 2 . . . . . 29 PRO HB2 . 51942 1 244 . 1 . 1 29 29 PRO HB3 H 1 2.433 0.003 . 2 . . . . . 29 PRO HB3 . 51942 1 245 . 1 . 1 29 29 PRO HG2 H 1 1.926 0.002 . 2 . . . . . 29 PRO HG2 . 51942 1 246 . 1 . 1 29 29 PRO HG3 H 1 2.095 0.003 . 2 . . . . . 29 PRO HG3 . 51942 1 247 . 1 . 1 29 29 PRO HD2 H 1 3.452 0.000 . 2 . . . . . 29 PRO HD2 . 51942 1 248 . 1 . 1 29 29 PRO HD3 H 1 3.705 0.003 . 2 . . . . . 29 PRO HD3 . 51942 1 249 . 1 . 1 29 29 PRO CA C 13 62.362 0.000 . 1 . . . . . 29 PRO CA . 51942 1 250 . 1 . 1 29 29 PRO CB C 13 32.895 0.004 . 1 . . . . . 29 PRO CB . 51942 1 251 . 1 . 1 29 29 PRO CG C 13 27.332 0.001 . 1 . . . . . 29 PRO CG . 51942 1 252 . 1 . 1 29 29 PRO CD C 13 50.669 0.001 . 1 . . . . . 29 PRO CD . 51942 1 253 . 1 . 1 30 30 LEU H H 1 8.434 0.001 . 1 . . . . . 30 LEU H . 51942 1 254 . 1 . 1 30 30 LEU HA H 1 4.020 0.001 . 1 . . . . . 30 LEU HA . 51942 1 255 . 1 . 1 30 30 LEU HB2 H 1 1.606 0.000 . 2 . . . . . 30 LEU HB2 . 51942 1 256 . 1 . 1 30 30 LEU HB3 H 1 1.662 0.002 . 2 . . . . . 30 LEU HB3 . 51942 1 257 . 1 . 1 30 30 LEU HG H 1 1.600 0.006 . 1 . . . . . 30 LEU HG . 51942 1 258 . 1 . 1 30 30 LEU HD11 H 1 0.932 0.004 . 2 . . . . . 30 LEU QD1 . 51942 1 259 . 1 . 1 30 30 LEU HD12 H 1 0.932 0.004 . 2 . . . . . 30 LEU QD1 . 51942 1 260 . 1 . 1 30 30 LEU HD13 H 1 0.932 0.004 . 2 . . . . . 30 LEU QD1 . 51942 1 261 . 1 . 1 30 30 LEU HD21 H 1 0.944 0.003 . 2 . . . . . 30 LEU QD2 . 51942 1 262 . 1 . 1 30 30 LEU HD22 H 1 0.944 0.003 . 2 . . . . . 30 LEU QD2 . 51942 1 263 . 1 . 1 30 30 LEU HD23 H 1 0.944 0.003 . 2 . . . . . 30 LEU QD2 . 51942 1 264 . 1 . 1 30 30 LEU CA C 13 56.360 0.000 . 1 . . . . . 30 LEU CA . 51942 1 265 . 1 . 1 30 30 LEU CB C 13 40.905 0.000 . 1 . . . . . 30 LEU CB . 51942 1 266 . 1 . 1 30 30 LEU CG C 13 26.986 0.000 . 1 . . . . . 30 LEU CG . 51942 1 267 . 1 . 1 30 30 LEU CD1 C 13 23.640 0.008 . 1 . . . . . 30 LEU CD1 . 51942 1 268 . 1 . 1 30 30 LEU CD2 C 13 24.888 0.040 . 1 . . . . . 30 LEU CD2 . 51942 1 269 . 1 . 1 31 31 GLY H H 1 8.827 0.001 . 1 . . . . . 31 GLY H . 51942 1 270 . 1 . 1 31 31 GLY HA2 H 1 3.693 0.004 . 2 . . . . . 31 GLY HA2 . 51942 1 271 . 1 . 1 31 31 GLY HA3 H 1 4.151 0.002 . 2 . . . . . 31 GLY HA3 . 51942 1 272 . 1 . 1 31 31 GLY CA C 13 45.375 0.000 . 1 . . . . . 31 GLY CA . 51942 1 273 . 1 . 1 32 32 ARG H H 1 7.645 0.002 . 1 . . . . . 32 ARG H . 51942 1 274 . 1 . 1 32 32 ARG HA H 1 4.620 0.003 . 1 . . . . . 32 ARG HA . 51942 1 275 . 1 . 1 32 32 ARG HB2 H 1 1.508 0.003 . 2 . . . . . 32 ARG HB2 . 51942 1 276 . 1 . 1 32 32 ARG HB3 H 1 1.589 0.004 . 2 . . . . . 32 ARG HB3 . 51942 1 277 . 1 . 1 32 32 ARG HG2 H 1 1.370 0.004 . 2 . . . . . 32 ARG HG2 . 51942 1 278 . 1 . 1 32 32 ARG HG3 H 1 1.513 0.003 . 2 . . . . . 32 ARG HG3 . 51942 1 279 . 1 . 1 32 32 ARG HD2 H 1 2.864 0.004 . 2 . . . . . 32 ARG HD2 . 51942 1 280 . 1 . 1 32 32 ARG HD3 H 1 2.864 0.004 . 2 . . . . . 32 ARG HD3 . 51942 1 281 . 1 . 1 32 32 ARG HE H 1 7.069 0.002 . 1 . . . . . 32 ARG HE . 51942 1 282 . 1 . 1 32 32 ARG CA C 13 55.419 0.000 . 1 . . . . . 32 ARG CA . 51942 1 283 . 1 . 1 32 32 ARG CB C 13 32.786 0.002 . 1 . . . . . 32 ARG CB . 51942 1 284 . 1 . 1 32 32 ARG CG C 13 28.716 0.002 . 1 . . . . . 32 ARG CG . 51942 1 285 . 1 . 1 32 32 ARG CD C 13 43.574 0.000 . 1 . . . . . 32 ARG CD . 51942 1 286 . 1 . 1 33 33 THR H H 1 8.650 0.002 . 1 . . . . . 33 THR H . 51942 1 287 . 1 . 1 33 33 THR HA H 1 4.376 0.003 . 1 . . . . . 33 THR HA . 51942 1 288 . 1 . 1 33 33 THR HB H 1 3.838 0.003 . 1 . . . . . 33 THR HB . 51942 1 289 . 1 . 1 33 33 THR HG21 H 1 1.099 0.002 . 1 . . . . . 33 THR QG2 . 51942 1 290 . 1 . 1 33 33 THR HG22 H 1 1.099 0.002 . 1 . . . . . 33 THR QG2 . 51942 1 291 . 1 . 1 33 33 THR HG23 H 1 1.099 0.002 . 1 . . . . . 33 THR QG2 . 51942 1 292 . 1 . 1 33 33 THR CA C 13 61.732 0.000 . 1 . . . . . 33 THR CA . 51942 1 293 . 1 . 1 33 33 THR CB C 13 71.448 0.000 . 1 . . . . . 33 THR CB . 51942 1 294 . 1 . 1 33 33 THR CG2 C 13 21.185 0.000 . 1 . . . . . 33 THR CG2 . 51942 1 295 . 1 . 1 34 34 CYS H H 1 9.110 0.001 . 1 . . . . . 34 CYS H . 51942 1 296 . 1 . 1 34 34 CYS HA H 1 4.764 0.002 . 1 . . . . . 34 CYS HA . 51942 1 297 . 1 . 1 34 34 CYS HB2 H 1 3.118 0.001 . 2 . . . . . 34 CYS HB2 . 51942 1 298 . 1 . 1 34 34 CYS HB3 H 1 3.629 0.001 . 2 . . . . . 34 CYS HB3 . 51942 1 299 . 1 . 1 34 34 CYS CA C 13 56.456 0.000 . 1 . . . . . 34 CYS CA . 51942 1 300 . 1 . 1 34 34 CYS CB C 13 37.005 0.005 . 1 . . . . . 34 CYS CB . 51942 1 301 . 1 . 1 35 35 CYS H H 1 9.418 0.002 . 1 . . . . . 35 CYS H . 51942 1 302 . 1 . 1 35 35 CYS HA H 1 5.313 0.003 . 1 . . . . . 35 CYS HA . 51942 1 303 . 1 . 1 35 35 CYS HB2 H 1 2.568 0.001 . 2 . . . . . 35 CYS HB2 . 51942 1 304 . 1 . 1 35 35 CYS HB3 H 1 3.193 0.001 . 2 . . . . . 35 CYS HB3 . 51942 1 305 . 1 . 1 35 35 CYS CA C 13 53.919 0.000 . 1 . . . . . 35 CYS CA . 51942 1 306 . 1 . 1 35 35 CYS CB C 13 45.889 0.001 . 1 . . . . . 35 CYS CB . 51942 1 307 . 1 . 1 36 36 ARG H H 1 9.345 0.001 . 1 . . . . . 36 ARG H . 51942 1 308 . 1 . 1 36 36 ARG HA H 1 4.168 0.001 . 1 . . . . . 36 ARG HA . 51942 1 309 . 1 . 1 36 36 ARG HB2 H 1 1.714 0.003 . 2 . . . . . 36 ARG HB2 . 51942 1 310 . 1 . 1 36 36 ARG HB3 H 1 1.808 0.003 . 2 . . . . . 36 ARG HB3 . 51942 1 311 . 1 . 1 36 36 ARG HG2 H 1 1.719 0.002 . 2 . . . . . 36 ARG HG2 . 51942 1 312 . 1 . 1 36 36 ARG HG3 H 1 1.719 0.002 . 2 . . . . . 36 ARG HG3 . 51942 1 313 . 1 . 1 36 36 ARG HD2 H 1 3.219 0.001 . 2 . . . . . 36 ARG HD2 . 51942 1 314 . 1 . 1 36 36 ARG HD3 H 1 3.268 0.002 . 2 . . . . . 36 ARG HD3 . 51942 1 315 . 1 . 1 36 36 ARG HE H 1 7.206 0.002 . 1 . . . . . 36 ARG HE . 51942 1 316 . 1 . 1 36 36 ARG CA C 13 58.137 0.000 . 1 . . . . . 36 ARG CA . 51942 1 317 . 1 . 1 36 36 ARG CB C 13 31.027 0.009 . 1 . . . . . 36 ARG CB . 51942 1 318 . 1 . 1 36 36 ARG CG C 13 27.676 0.000 . 1 . . . . . 36 ARG CG . 51942 1 319 . 1 . 1 36 36 ARG CD C 13 43.532 0.003 . 1 . . . . . 36 ARG CD . 51942 1 320 . 1 . 1 37 37 ARG H H 1 8.457 0.002 . 1 . . . . . 37 ARG H . 51942 1 321 . 1 . 1 37 37 ARG HA H 1 4.229 0.001 . 1 . . . . . 37 ARG HA . 51942 1 322 . 1 . 1 37 37 ARG HB2 H 1 1.666 0.003 . 2 . . . . . 37 ARG HB2 . 51942 1 323 . 1 . 1 37 37 ARG HB3 H 1 1.666 0.003 . 2 . . . . . 37 ARG HB3 . 51942 1 324 . 1 . 1 37 37 ARG HG2 H 1 1.475 0.003 . 2 . . . . . 37 ARG HG2 . 51942 1 325 . 1 . 1 37 37 ARG HG3 H 1 1.475 0.003 . 2 . . . . . 37 ARG HG3 . 51942 1 326 . 1 . 1 37 37 ARG HD2 H 1 3.085 0.002 . 2 . . . . . 37 ARG HD2 . 51942 1 327 . 1 . 1 37 37 ARG HD3 H 1 3.085 0.002 . 2 . . . . . 37 ARG HD3 . 51942 1 328 . 1 . 1 37 37 ARG HE H 1 7.018 0.000 . 1 . . . . . 37 ARG HE . 51942 1 329 . 1 . 1 37 37 ARG CA C 13 57.082 0.000 . 1 . . . . . 37 ARG CA . 51942 1 330 . 1 . 1 37 37 ARG CB C 13 31.008 0.000 . 1 . . . . . 37 ARG CB . 51942 1 331 . 1 . 1 37 37 ARG CG C 13 27.620 0.000 . 1 . . . . . 37 ARG CG . 51942 1 332 . 1 . 1 37 37 ARG CD C 13 43.573 0.000 . 1 . . . . . 37 ARG CD . 51942 1 333 . 1 . 1 38 38 SER H H 1 8.277 0.001 . 1 . . . . . 38 SER H . 51942 1 334 . 1 . 1 38 38 SER HA H 1 4.387 0.001 . 1 . . . . . 38 SER HA . 51942 1 335 . 1 . 1 38 38 SER HB2 H 1 3.790 0.003 . 2 . . . . . 38 SER HB2 . 51942 1 336 . 1 . 1 38 38 SER HB3 H 1 3.828 0.000 . 2 . . . . . 38 SER HB3 . 51942 1 337 . 1 . 1 38 38 SER CA C 13 58.115 0.000 . 1 . . . . . 38 SER CA . 51942 1 338 . 1 . 1 38 38 SER CB C 13 63.796 0.001 . 1 . . . . . 38 SER CB . 51942 1 339 . 1 . 1 39 39 TYR H H 1 8.171 0.002 . 1 . . . . . 39 TYR H . 51942 1 340 . 1 . 1 39 39 TYR HA H 1 4.523 0.002 . 1 . . . . . 39 TYR HA . 51942 1 341 . 1 . 1 39 39 TYR HB2 H 1 2.919 0.002 . 2 . . . . . 39 TYR HB2 . 51942 1 342 . 1 . 1 39 39 TYR HB3 H 1 3.084 0.001 . 2 . . . . . 39 TYR HB3 . 51942 1 343 . 1 . 1 39 39 TYR HD1 H 1 7.141 0.002 . 1 . . . . . 39 TYR HD1 . 51942 1 344 . 1 . 1 39 39 TYR HD2 H 1 7.141 0.002 . 1 . . . . . 39 TYR HD2 . 51942 1 345 . 1 . 1 39 39 TYR HE1 H 1 6.828 0.001 . 1 . . . . . 39 TYR HE1 . 51942 1 346 . 1 . 1 39 39 TYR HE2 H 1 6.828 0.001 . 1 . . . . . 39 TYR HE2 . 51942 1 347 . 1 . 1 39 39 TYR CA C 13 57.833 0.000 . 1 . . . . . 39 TYR CA . 51942 1 348 . 1 . 1 39 39 TYR CB C 13 39.058 0.009 . 1 . . . . . 39 TYR CB . 51942 1 349 . 1 . 1 39 39 TYR CD1 C 13 133.352 0.000 . 1 . . . . . 39 TYR CD1 . 51942 1 350 . 1 . 1 39 39 TYR CD2 C 13 133.352 0.000 . 1 . . . . . 39 TYR CD2 . 51942 1 351 . 1 . 1 39 39 TYR CE1 C 13 118.220 0.000 . 1 . . . . . 39 TYR CE1 . 51942 1 352 . 1 . 1 39 39 TYR CE2 C 13 118.220 0.000 . 1 . . . . . 39 TYR CE2 . 51942 1 353 . 1 . 1 40 40 NH2 HN1 H 1 7.072 0.001 . 2 . . . . . 40 NH2 HN1 . 51942 1 354 . 1 . 1 40 40 NH2 HN2 H 1 7.499 0.001 . 2 . . . . . 40 NH2 HN2 . 51942 1 stop_ save_ ################################### # 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_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 51942 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name Chemical-shifts_D2O_25C _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 8 '2D 1H-1H TOCSY' . . . 51942 2 9 '2D 1H-1H NOESY' . . . 51942 2 10 '2D 1H-13C HSQC aliphatic' . . . 51942 2 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 51942 2 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 SER HA H 1 4.070 0.000 . 1 . . . . . 1 SER HA . 51942 2 2 . 1 . 1 1 1 SER HB2 H 1 3.898 0.000 . 2 . . . . . 1 SER HB2 . 51942 2 3 . 1 . 1 1 1 SER HB3 H 1 3.947 0.000 . 2 . . . . . 1 SER HB3 . 51942 2 4 . 1 . 1 1 1 SER CA C 13 57.202 0.000 . 1 . . . . . 1 SER CA . 51942 2 5 . 1 . 1 1 1 SER CB C 13 63.023 0.003 . 1 . . . . . 1 SER CB . 51942 2 6 . 1 . 1 2 2 TYR HA H 1 4.726 0.005 . 1 . . . . . 2 TYR HA . 51942 2 7 . 1 . 1 2 2 TYR HB2 H 1 2.984 0.004 . 2 . . . . . 2 TYR HB2 . 51942 2 8 . 1 . 1 2 2 TYR HB3 H 1 2.984 0.004 . 2 . . . . . 2 TYR HB3 . 51942 2 9 . 1 . 1 2 2 TYR HD1 H 1 7.113 0.000 . 1 . . . . . 2 TYR HD1 . 51942 2 10 . 1 . 1 2 2 TYR HD2 H 1 7.113 0.000 . 1 . . . . . 2 TYR HD2 . 51942 2 11 . 1 . 1 2 2 TYR CA C 13 57.782 0.000 . 1 . . . . . 2 TYR CA . 51942 2 12 . 1 . 1 2 2 TYR CB C 13 38.987 0.000 . 1 . . . . . 2 TYR CB . 51942 2 13 . 1 . 1 3 3 VAL HA H 1 4.125 0.005 . 1 . . . . . 3 VAL HA . 51942 2 14 . 1 . 1 3 3 VAL HB H 1 2.089 0.000 . 1 . . . . . 3 VAL HB . 51942 2 15 . 1 . 1 3 3 VAL HG11 H 1 0.933 0.000 . 2 . . . . . 3 VAL QG1 . 51942 2 16 . 1 . 1 3 3 VAL HG12 H 1 0.933 0.000 . 2 . . . . . 3 VAL QG1 . 51942 2 17 . 1 . 1 3 3 VAL HG13 H 1 0.933 0.000 . 2 . . . . . 3 VAL QG1 . 51942 2 18 . 1 . 1 3 3 VAL HG21 H 1 0.940 0.007 . 2 . . . . . 3 VAL QG2 . 51942 2 19 . 1 . 1 3 3 VAL HG22 H 1 0.940 0.007 . 2 . . . . . 3 VAL QG2 . 51942 2 20 . 1 . 1 3 3 VAL HG23 H 1 0.940 0.007 . 2 . . . . . 3 VAL QG2 . 51942 2 21 . 1 . 1 3 3 VAL CA C 13 62.491 0.000 . 1 . . . . . 3 VAL CA . 51942 2 22 . 1 . 1 3 3 VAL CB C 13 32.921 0.000 . 1 . . . . . 3 VAL CB . 51942 2 23 . 1 . 1 3 3 VAL CG1 C 13 20.304 0.000 . 1 . . . . . 3 VAL CG1 . 51942 2 24 . 1 . 1 3 3 VAL CG2 C 13 21.111 0.000 . 1 . . . . . 3 VAL CG2 . 51942 2 25 . 1 . 1 4 4 GLY HA2 H 1 3.954 0.000 . 2 . . . . . 4 GLY HA2 . 51942 2 26 . 1 . 1 4 4 GLY HA3 H 1 4.063 0.000 . 2 . . . . . 4 GLY HA3 . 51942 2 27 . 1 . 1 4 4 GLY CA C 13 44.667 0.015 . 1 . . . . . 4 GLY CA . 51942 2 28 . 1 . 1 5 5 ASP HA H 1 4.675 0.001 . 1 . . . . . 5 ASP HA . 51942 2 29 . 1 . 1 5 5 ASP HB2 H 1 2.696 0.002 . 2 . . . . . 5 ASP HB2 . 51942 2 30 . 1 . 1 5 5 ASP HB3 H 1 2.884 0.004 . 2 . . . . . 5 ASP HB3 . 51942 2 31 . 1 . 1 5 5 ASP CA C 13 54.366 0.000 . 1 . . . . . 5 ASP CA . 51942 2 32 . 1 . 1 5 5 ASP CB C 13 42.155 0.020 . 1 . . . . . 5 ASP CB . 51942 2 33 . 1 . 1 6 6 CYS HA H 1 3.875 0.008 . 1 . . . . . 6 CYS HA . 51942 2 34 . 1 . 1 6 6 CYS HB2 H 1 2.832 0.004 . 2 . . . . . 6 CYS HB2 . 51942 2 35 . 1 . 1 6 6 CYS HB3 H 1 2.943 0.003 . 2 . . . . . 6 CYS HB3 . 51942 2 36 . 1 . 1 6 6 CYS CA C 13 60.048 0.000 . 1 . . . . . 6 CYS CA . 51942 2 37 . 1 . 1 6 6 CYS CB C 13 39.877 0.009 . 1 . . . . . 6 CYS CB . 51942 2 38 . 1 . 1 7 7 GLY HA2 H 1 3.790 0.000 . 2 . . . . . 7 GLY HA2 . 51942 2 39 . 1 . 1 7 7 GLY HA3 H 1 4.345 0.000 . 2 . . . . . 7 GLY HA3 . 51942 2 40 . 1 . 1 7 7 GLY CA C 13 46.428 0.029 . 1 . . . . . 7 GLY CA . 51942 2 41 . 1 . 1 8 8 SER HA H 1 4.440 0.000 . 1 . . . . . 8 SER HA . 51942 2 42 . 1 . 1 8 8 SER HB2 H 1 3.847 0.000 . 2 . . . . . 8 SER HB2 . 51942 2 43 . 1 . 1 8 8 SER HB3 H 1 3.894 0.000 . 2 . . . . . 8 SER HB3 . 51942 2 44 . 1 . 1 8 8 SER CA C 13 59.996 0.000 . 1 . . . . . 8 SER CA . 51942 2 45 . 1 . 1 8 8 SER CB C 13 62.849 0.015 . 1 . . . . . 8 SER CB . 51942 2 46 . 1 . 1 9 9 ASN HA H 1 4.724 0.005 . 1 . . . . . 9 ASN HA . 51942 2 47 . 1 . 1 9 9 ASN HB2 H 1 1.538 0.004 . 2 . . . . . 9 ASN HB2 . 51942 2 48 . 1 . 1 9 9 ASN HB3 H 1 2.394 0.005 . 2 . . . . . 9 ASN HB3 . 51942 2 49 . 1 . 1 9 9 ASN CA C 13 53.386 0.000 . 1 . . . . . 9 ASN CA . 51942 2 50 . 1 . 1 9 9 ASN CB C 13 40.081 0.036 . 1 . . . . . 9 ASN CB . 51942 2 51 . 1 . 1 10 10 GLY HA2 H 1 3.757 0.000 . 2 . . . . . 10 GLY HA2 . 51942 2 52 . 1 . 1 10 10 GLY HA3 H 1 4.152 0.000 . 2 . . . . . 10 GLY HA3 . 51942 2 53 . 1 . 1 10 10 GLY CA C 13 45.969 0.003 . 1 . . . . . 10 GLY CA . 51942 2 54 . 1 . 1 11 11 GLY HA2 H 1 3.328 0.005 . 2 . . . . . 11 GLY HA2 . 51942 2 55 . 1 . 1 11 11 GLY HA3 H 1 4.840 0.007 . 2 . . . . . 11 GLY HA3 . 51942 2 56 . 1 . 1 11 11 GLY CA C 13 44.117 0.040 . 1 . . . . . 11 GLY CA . 51942 2 57 . 1 . 1 12 12 SER H H 1 8.591 0.003 . 1 . . . . . 12 SER H . 51942 2 58 . 1 . 1 12 12 SER HA H 1 4.558 0.004 . 1 . . . . . 12 SER HA . 51942 2 59 . 1 . 1 12 12 SER HB2 H 1 3.595 0.003 . 2 . . . . . 12 SER HB2 . 51942 2 60 . 1 . 1 12 12 SER HB3 H 1 3.682 0.004 . 2 . . . . . 12 SER HB3 . 51942 2 61 . 1 . 1 12 12 SER CA C 13 57.148 0.000 . 1 . . . . . 12 SER CA . 51942 2 62 . 1 . 1 12 12 SER CB C 13 65.907 0.023 . 1 . . . . . 12 SER CB . 51942 2 63 . 1 . 1 13 13 CYS HA H 1 5.236 0.003 . 1 . . . . . 13 CYS HA . 51942 2 64 . 1 . 1 13 13 CYS HB2 H 1 2.602 0.002 . 2 . . . . . 13 CYS HB2 . 51942 2 65 . 1 . 1 13 13 CYS HB3 H 1 3.017 0.003 . 2 . . . . . 13 CYS HB3 . 51942 2 66 . 1 . 1 13 13 CYS CA C 13 54.228 0.000 . 1 . . . . . 13 CYS CA . 51942 2 67 . 1 . 1 13 13 CYS CB C 13 38.955 0.000 . 1 . . . . . 13 CYS CB . 51942 2 68 . 1 . 1 14 14 VAL HA H 1 4.899 0.004 . 1 . . . . . 14 VAL HA . 51942 2 69 . 1 . 1 14 14 VAL HB H 1 2.371 0.005 . 1 . . . . . 14 VAL HB . 51942 2 70 . 1 . 1 14 14 VAL HG11 H 1 0.913 0.001 . 2 . . . . . 14 VAL QG1 . 51942 2 71 . 1 . 1 14 14 VAL HG12 H 1 0.913 0.001 . 2 . . . . . 14 VAL QG1 . 51942 2 72 . 1 . 1 14 14 VAL HG13 H 1 0.913 0.001 . 2 . . . . . 14 VAL QG1 . 51942 2 73 . 1 . 1 14 14 VAL HG21 H 1 0.969 0.002 . 2 . . . . . 14 VAL QG2 . 51942 2 74 . 1 . 1 14 14 VAL HG22 H 1 0.969 0.002 . 2 . . . . . 14 VAL QG2 . 51942 2 75 . 1 . 1 14 14 VAL HG23 H 1 0.969 0.002 . 2 . . . . . 14 VAL QG2 . 51942 2 76 . 1 . 1 14 14 VAL CA C 13 59.713 0.000 . 1 . . . . . 14 VAL CA . 51942 2 77 . 1 . 1 14 14 VAL CB C 13 35.346 0.000 . 1 . . . . . 14 VAL CB . 51942 2 78 . 1 . 1 14 14 VAL CG1 C 13 21.528 0.000 . 1 . . . . . 14 VAL CG1 . 51942 2 79 . 1 . 1 14 14 VAL CG2 C 13 18.031 0.000 . 1 . . . . . 14 VAL CG2 . 51942 2 80 . 1 . 1 15 15 SER HA H 1 4.823 0.003 . 1 . . . . . 15 SER HA . 51942 2 81 . 1 . 1 15 15 SER HB2 H 1 3.772 0.005 . 2 . . . . . 15 SER HB2 . 51942 2 82 . 1 . 1 15 15 SER HB3 H 1 4.018 0.003 . 2 . . . . . 15 SER HB3 . 51942 2 83 . 1 . 1 15 15 SER CA C 13 57.996 0.000 . 1 . . . . . 15 SER CA . 51942 2 84 . 1 . 1 15 15 SER CB C 13 63.944 0.035 . 1 . . . . . 15 SER CB . 51942 2 85 . 1 . 1 16 16 SER HA H 1 4.513 0.002 . 1 . . . . . 16 SER HA . 51942 2 86 . 1 . 1 16 16 SER HB2 H 1 3.894 0.004 . 2 . . . . . 16 SER HB2 . 51942 2 87 . 1 . 1 16 16 SER HB3 H 1 4.102 0.002 . 2 . . . . . 16 SER HB3 . 51942 2 88 . 1 . 1 16 16 SER CA C 13 56.511 0.000 . 1 . . . . . 16 SER CA . 51942 2 89 . 1 . 1 16 16 SER CB C 13 64.261 0.027 . 1 . . . . . 16 SER CB . 51942 2 90 . 1 . 1 17 17 TYR HA H 1 4.217 0.007 . 1 . . . . . 17 TYR HA . 51942 2 91 . 1 . 1 17 17 TYR HB2 H 1 2.748 0.003 . 2 . . . . . 17 TYR HB2 . 51942 2 92 . 1 . 1 17 17 TYR HB3 H 1 3.123 0.005 . 2 . . . . . 17 TYR HB3 . 51942 2 93 . 1 . 1 17 17 TYR HD1 H 1 7.050 0.002 . 1 . . . . . 17 TYR HD1 . 51942 2 94 . 1 . 1 17 17 TYR HD2 H 1 7.050 0.002 . 1 . . . . . 17 TYR HD2 . 51942 2 95 . 1 . 1 17 17 TYR HE1 H 1 6.743 0.000 . 1 . . . . . 17 TYR HE1 . 51942 2 96 . 1 . 1 17 17 TYR HE2 H 1 6.743 0.000 . 1 . . . . . 17 TYR HE2 . 51942 2 97 . 1 . 1 17 17 TYR CA C 13 59.338 0.000 . 1 . . . . . 17 TYR CA . 51942 2 98 . 1 . 1 17 17 TYR CB C 13 38.385 0.014 . 1 . . . . . 17 TYR CB . 51942 2 99 . 1 . 1 18 18 CYS HA H 1 4.949 0.004 . 1 . . . . . 18 CYS HA . 51942 2 100 . 1 . 1 18 18 CYS HB2 H 1 2.331 0.004 . 2 . . . . . 18 CYS HB2 . 51942 2 101 . 1 . 1 18 18 CYS HB3 H 1 2.881 0.002 . 2 . . . . . 18 CYS HB3 . 51942 2 102 . 1 . 1 18 18 CYS CA C 13 51.846 0.000 . 1 . . . . . 18 CYS CA . 51942 2 103 . 1 . 1 18 18 CYS CB C 13 42.355 0.011 . 1 . . . . . 18 CYS CB . 51942 2 104 . 1 . 1 19 19 PRO HA H 1 4.145 0.006 . 1 . . . . . 19 PRO HA . 51942 2 105 . 1 . 1 19 19 PRO HB2 H 1 1.867 0.006 . 2 . . . . . 19 PRO HB2 . 51942 2 106 . 1 . 1 19 19 PRO HB3 H 1 2.447 0.011 . 2 . . . . . 19 PRO HB3 . 51942 2 107 . 1 . 1 19 19 PRO HG2 H 1 1.972 0.000 . 2 . . . . . 19 PRO HG2 . 51942 2 108 . 1 . 1 19 19 PRO HG3 H 1 2.056 0.000 . 2 . . . . . 19 PRO HG3 . 51942 2 109 . 1 . 1 19 19 PRO HD2 H 1 3.450 0.012 . 2 . . . . . 19 PRO HD2 . 51942 2 110 . 1 . 1 19 19 PRO HD3 H 1 3.652 0.003 . 2 . . . . . 19 PRO HD3 . 51942 2 111 . 1 . 1 19 19 PRO CA C 13 63.015 0.000 . 1 . . . . . 19 PRO CA . 51942 2 112 . 1 . 1 19 19 PRO CB C 13 32.315 0.014 . 1 . . . . . 19 PRO CB . 51942 2 113 . 1 . 1 19 19 PRO CG C 13 27.570 0.011 . 1 . . . . . 19 PRO CG . 51942 2 114 . 1 . 1 19 19 PRO CD C 13 51.358 0.023 . 1 . . . . . 19 PRO CD . 51942 2 115 . 1 . 1 20 20 TYR HA H 1 3.763 0.004 . 1 . . . . . 20 TYR HA . 51942 2 116 . 1 . 1 20 20 TYR HB2 H 1 2.987 0.009 . 2 . . . . . 20 TYR HB2 . 51942 2 117 . 1 . 1 20 20 TYR HB3 H 1 3.060 0.003 . 2 . . . . . 20 TYR HB3 . 51942 2 118 . 1 . 1 20 20 TYR HD1 H 1 7.133 0.002 . 1 . . . . . 20 TYR HD1 . 51942 2 119 . 1 . 1 20 20 TYR HD2 H 1 7.133 0.002 . 1 . . . . . 20 TYR HD2 . 51942 2 120 . 1 . 1 20 20 TYR CA C 13 62.454 0.000 . 1 . . . . . 20 TYR CA . 51942 2 121 . 1 . 1 20 20 TYR CB C 13 38.414 0.007 . 1 . . . . . 20 TYR CB . 51942 2 122 . 1 . 1 21 21 GLY HA2 H 1 3.892 0.000 . 2 . . . . . 21 GLY HA2 . 51942 2 123 . 1 . 1 21 21 GLY HA3 H 1 3.892 0.000 . 2 . . . . . 21 GLY HA3 . 51942 2 124 . 1 . 1 21 21 GLY CA C 13 45.796 0.000 . 1 . . . . . 21 GLY CA . 51942 2 125 . 1 . 1 22 22 ASN HA H 1 4.864 0.004 . 1 . . . . . 22 ASN HA . 51942 2 126 . 1 . 1 22 22 ASN HB2 H 1 2.601 0.005 . 2 . . . . . 22 ASN HB2 . 51942 2 127 . 1 . 1 22 22 ASN HB3 H 1 3.139 0.005 . 2 . . . . . 22 ASN HB3 . 51942 2 128 . 1 . 1 22 22 ASN CA C 13 52.189 0.000 . 1 . . . . . 22 ASN CA . 51942 2 129 . 1 . 1 22 22 ASN CB C 13 39.657 0.015 . 1 . . . . . 22 ASN CB . 51942 2 130 . 1 . 1 23 23 ARG HA H 1 4.633 0.004 . 1 . . . . . 23 ARG HA . 51942 2 131 . 1 . 1 23 23 ARG HB2 H 1 1.684 0.005 . 2 . . . . . 23 ARG HB2 . 51942 2 132 . 1 . 1 23 23 ARG HB3 H 1 1.811 0.003 . 2 . . . . . 23 ARG HB3 . 51942 2 133 . 1 . 1 23 23 ARG HG2 H 1 1.273 0.002 . 2 . . . . . 23 ARG HG2 . 51942 2 134 . 1 . 1 23 23 ARG HG3 H 1 1.690 0.000 . 2 . . . . . 23 ARG HG3 . 51942 2 135 . 1 . 1 23 23 ARG HD2 H 1 2.937 0.001 . 2 . . . . . 23 ARG HD2 . 51942 2 136 . 1 . 1 23 23 ARG HD3 H 1 3.130 0.003 . 2 . . . . . 23 ARG HD3 . 51942 2 137 . 1 . 1 23 23 ARG CA C 13 57.159 0.000 . 1 . . . . . 23 ARG CA . 51942 2 138 . 1 . 1 23 23 ARG CB C 13 30.649 0.024 . 1 . . . . . 23 ARG CB . 51942 2 139 . 1 . 1 23 23 ARG CG C 13 28.285 0.014 . 1 . . . . . 23 ARG CG . 51942 2 140 . 1 . 1 23 23 ARG CD C 13 43.743 0.076 . 1 . . . . . 23 ARG CD . 51942 2 141 . 1 . 1 24 24 LEU HA H 1 4.652 0.002 . 1 . . . . . 24 LEU HA . 51942 2 142 . 1 . 1 24 24 LEU HB2 H 1 1.507 0.006 . 2 . . . . . 24 LEU HB2 . 51942 2 143 . 1 . 1 24 24 LEU HB3 H 1 1.571 0.005 . 2 . . . . . 24 LEU HB3 . 51942 2 144 . 1 . 1 24 24 LEU HG H 1 1.584 0.000 . 1 . . . . . 24 LEU HG . 51942 2 145 . 1 . 1 24 24 LEU HD11 H 1 0.805 0.003 . 2 . . . . . 24 LEU QD1 . 51942 2 146 . 1 . 1 24 24 LEU HD12 H 1 0.805 0.003 . 2 . . . . . 24 LEU QD1 . 51942 2 147 . 1 . 1 24 24 LEU HD13 H 1 0.805 0.003 . 2 . . . . . 24 LEU QD1 . 51942 2 148 . 1 . 1 24 24 LEU HD21 H 1 0.889 0.002 . 2 . . . . . 24 LEU QD2 . 51942 2 149 . 1 . 1 24 24 LEU HD22 H 1 0.889 0.002 . 2 . . . . . 24 LEU QD2 . 51942 2 150 . 1 . 1 24 24 LEU HD23 H 1 0.889 0.002 . 2 . . . . . 24 LEU QD2 . 51942 2 151 . 1 . 1 24 24 LEU CA C 13 52.662 0.000 . 1 . . . . . 24 LEU CA . 51942 2 152 . 1 . 1 24 24 LEU CB C 13 45.474 0.018 . 1 . . . . . 24 LEU CB . 51942 2 153 . 1 . 1 24 24 LEU CG C 13 26.983 0.000 . 1 . . . . . 24 LEU CG . 51942 2 154 . 1 . 1 24 24 LEU CD1 C 13 25.469 0.000 . 1 . . . . . 24 LEU CD1 . 51942 2 155 . 1 . 1 24 24 LEU CD2 C 13 22.859 0.000 . 1 . . . . . 24 LEU CD2 . 51942 2 156 . 1 . 1 25 25 ASN HA H 1 4.665 0.003 . 1 . . . . . 25 ASN HA . 51942 2 157 . 1 . 1 25 25 ASN HB2 H 1 2.341 0.006 . 2 . . . . . 25 ASN HB2 . 51942 2 158 . 1 . 1 25 25 ASN HB3 H 1 2.531 0.007 . 2 . . . . . 25 ASN HB3 . 51942 2 159 . 1 . 1 25 25 ASN CA C 13 52.108 0.000 . 1 . . . . . 25 ASN CA . 51942 2 160 . 1 . 1 25 25 ASN CB C 13 36.663 0.004 . 1 . . . . . 25 ASN CB . 51942 2 161 . 1 . 1 26 26 TYR HA H 1 4.698 0.003 . 1 . . . . . 26 TYR HA . 51942 2 162 . 1 . 1 26 26 TYR HB2 H 1 2.542 0.008 . 2 . . . . . 26 TYR HB2 . 51942 2 163 . 1 . 1 26 26 TYR HB3 H 1 3.068 0.005 . 2 . . . . . 26 TYR HB3 . 51942 2 164 . 1 . 1 26 26 TYR HD1 H 1 6.949 0.001 . 1 . . . . . 26 TYR HD1 . 51942 2 165 . 1 . 1 26 26 TYR HD2 H 1 6.949 0.001 . 1 . . . . . 26 TYR HD2 . 51942 2 166 . 1 . 1 26 26 TYR HE1 H 1 6.694 0.001 . 1 . . . . . 26 TYR HE1 . 51942 2 167 . 1 . 1 26 26 TYR HE2 H 1 6.694 0.001 . 1 . . . . . 26 TYR HE2 . 51942 2 168 . 1 . 1 26 26 TYR CA C 13 56.649 0.000 . 1 . . . . . 26 TYR CA . 51942 2 169 . 1 . 1 26 26 TYR CB C 13 42.242 0.008 . 1 . . . . . 26 TYR CB . 51942 2 170 . 1 . 1 27 27 PHE HA H 1 4.382 0.006 . 1 . . . . . 27 PHE HA . 51942 2 171 . 1 . 1 27 27 PHE HB2 H 1 2.906 0.004 . 2 . . . . . 27 PHE HB2 . 51942 2 172 . 1 . 1 27 27 PHE HB3 H 1 3.237 0.006 . 2 . . . . . 27 PHE HB3 . 51942 2 173 . 1 . 1 27 27 PHE HD1 H 1 7.214 0.000 . 1 . . . . . 27 PHE HD1 . 51942 2 174 . 1 . 1 27 27 PHE HD2 H 1 7.214 0.000 . 1 . . . . . 27 PHE HD2 . 51942 2 175 . 1 . 1 27 27 PHE HE1 H 1 7.318 0.004 . 1 . . . . . 27 PHE HE1 . 51942 2 176 . 1 . 1 27 27 PHE HE2 H 1 7.318 0.004 . 1 . . . . . 27 PHE HE2 . 51942 2 177 . 1 . 1 27 27 PHE HZ H 1 7.292 0.000 . 1 . . . . . 27 PHE HZ . 51942 2 178 . 1 . 1 27 27 PHE CA C 13 60.141 0.000 . 1 . . . . . 27 PHE CA . 51942 2 179 . 1 . 1 27 27 PHE CB C 13 40.251 0.008 . 1 . . . . . 27 PHE CB . 51942 2 180 . 1 . 1 28 28 CYS HA H 1 4.711 0.004 . 1 . . . . . 28 CYS HA . 51942 2 181 . 1 . 1 28 28 CYS HB2 H 1 2.458 0.001 . 2 . . . . . 28 CYS HB2 . 51942 2 182 . 1 . 1 28 28 CYS HB3 H 1 2.559 0.005 . 2 . . . . . 28 CYS HB3 . 51942 2 183 . 1 . 1 28 28 CYS CA C 13 53.314 0.000 . 1 . . . . . 28 CYS CA . 51942 2 184 . 1 . 1 28 28 CYS CB C 13 43.826 0.040 . 1 . . . . . 28 CYS CB . 51942 2 185 . 1 . 1 29 29 PRO HA H 1 4.314 0.004 . 1 . . . . . 29 PRO HA . 51942 2 186 . 1 . 1 29 29 PRO HB2 H 1 1.875 0.000 . 2 . . . . . 29 PRO HB2 . 51942 2 187 . 1 . 1 29 29 PRO HB3 H 1 2.435 0.005 . 2 . . . . . 29 PRO HB3 . 51942 2 188 . 1 . 1 29 29 PRO HG2 H 1 1.930 0.003 . 2 . . . . . 29 PRO HG2 . 51942 2 189 . 1 . 1 29 29 PRO HG3 H 1 2.102 0.003 . 2 . . . . . 29 PRO HG3 . 51942 2 190 . 1 . 1 29 29 PRO HD2 H 1 3.468 0.000 . 2 . . . . . 29 PRO HD2 . 51942 2 191 . 1 . 1 29 29 PRO HD3 H 1 3.710 0.003 . 2 . . . . . 29 PRO HD3 . 51942 2 192 . 1 . 1 29 29 PRO CA C 13 62.358 0.000 . 1 . . . . . 29 PRO CA . 51942 2 193 . 1 . 1 29 29 PRO CB C 13 32.908 0.012 . 1 . . . . . 29 PRO CB . 51942 2 194 . 1 . 1 29 29 PRO CG C 13 27.335 0.014 . 1 . . . . . 29 PRO CG . 51942 2 195 . 1 . 1 29 29 PRO CD C 13 50.661 0.027 . 1 . . . . . 29 PRO CD . 51942 2 196 . 1 . 1 30 30 LEU HA H 1 4.021 0.004 . 1 . . . . . 30 LEU HA . 51942 2 197 . 1 . 1 30 30 LEU HB3 H 1 1.661 0.006 . 2 . . . . . 30 LEU HB3 . 51942 2 198 . 1 . 1 30 30 LEU HG H 1 1.596 0.002 . 1 . . . . . 30 LEU HG . 51942 2 199 . 1 . 1 30 30 LEU HD11 H 1 0.936 0.002 . 2 . . . . . 30 LEU QD1 . 51942 2 200 . 1 . 1 30 30 LEU HD12 H 1 0.936 0.002 . 2 . . . . . 30 LEU QD1 . 51942 2 201 . 1 . 1 30 30 LEU HD13 H 1 0.936 0.002 . 2 . . . . . 30 LEU QD1 . 51942 2 202 . 1 . 1 30 30 LEU HD21 H 1 0.945 0.005 . 2 . . . . . 30 LEU QD2 . 51942 2 203 . 1 . 1 30 30 LEU HD22 H 1 0.945 0.005 . 2 . . . . . 30 LEU QD2 . 51942 2 204 . 1 . 1 30 30 LEU HD23 H 1 0.945 0.005 . 2 . . . . . 30 LEU QD2 . 51942 2 205 . 1 . 1 30 30 LEU CA C 13 56.248 0.000 . 1 . . . . . 30 LEU CA . 51942 2 206 . 1 . 1 30 30 LEU CB C 13 40.873 0.000 . 1 . . . . . 30 LEU CB . 51942 2 207 . 1 . 1 30 30 LEU CG C 13 26.986 0.000 . 1 . . . . . 30 LEU CG . 51942 2 208 . 1 . 1 30 30 LEU CD1 C 13 23.593 0.000 . 1 . . . . . 30 LEU CD1 . 51942 2 209 . 1 . 1 30 30 LEU CD2 C 13 24.862 0.000 . 1 . . . . . 30 LEU CD2 . 51942 2 210 . 1 . 1 31 31 GLY HA2 H 1 3.698 0.000 . 2 . . . . . 31 GLY HA2 . 51942 2 211 . 1 . 1 31 31 GLY HA3 H 1 4.143 0.000 . 2 . . . . . 31 GLY HA3 . 51942 2 212 . 1 . 1 31 31 GLY CA C 13 45.294 0.029 . 1 . . . . . 31 GLY CA . 51942 2 213 . 1 . 1 32 32 ARG HA H 1 4.618 0.004 . 1 . . . . . 32 ARG HA . 51942 2 214 . 1 . 1 32 32 ARG HB2 H 1 1.517 0.008 . 2 . . . . . 32 ARG HB2 . 51942 2 215 . 1 . 1 32 32 ARG HB3 H 1 1.601 0.004 . 2 . . . . . 32 ARG HB3 . 51942 2 216 . 1 . 1 32 32 ARG HG2 H 1 1.380 0.007 . 2 . . . . . 32 ARG HG2 . 51942 2 217 . 1 . 1 32 32 ARG HG3 H 1 1.525 0.006 . 2 . . . . . 32 ARG HG3 . 51942 2 218 . 1 . 1 32 32 ARG HD2 H 1 2.869 0.006 . 2 . . . . . 32 ARG HD2 . 51942 2 219 . 1 . 1 32 32 ARG HD3 H 1 2.869 0.006 . 2 . . . . . 32 ARG HD3 . 51942 2 220 . 1 . 1 32 32 ARG CA C 13 55.353 0.000 . 1 . . . . . 32 ARG CA . 51942 2 221 . 1 . 1 32 32 ARG CB C 13 32.757 0.032 . 1 . . . . . 32 ARG CB . 51942 2 222 . 1 . 1 32 32 ARG CG C 13 28.691 0.010 . 1 . . . . . 32 ARG CG . 51942 2 223 . 1 . 1 32 32 ARG CD C 13 43.450 0.000 . 1 . . . . . 32 ARG CD . 51942 2 224 . 1 . 1 33 33 THR HA H 1 4.374 0.004 . 1 . . . . . 33 THR HA . 51942 2 225 . 1 . 1 33 33 THR HB H 1 3.842 0.003 . 1 . . . . . 33 THR HB . 51942 2 226 . 1 . 1 33 33 THR HG21 H 1 1.104 0.003 . 1 . . . . . 33 THR QG2 . 51942 2 227 . 1 . 1 33 33 THR HG22 H 1 1.104 0.003 . 1 . . . . . 33 THR QG2 . 51942 2 228 . 1 . 1 33 33 THR HG23 H 1 1.104 0.003 . 1 . . . . . 33 THR QG2 . 51942 2 229 . 1 . 1 33 33 THR CA C 13 61.617 0.000 . 1 . . . . . 33 THR CA . 51942 2 230 . 1 . 1 33 33 THR CB C 13 71.313 0.000 . 1 . . . . . 33 THR CB . 51942 2 231 . 1 . 1 33 33 THR CG2 C 13 21.138 0.000 . 1 . . . . . 33 THR CG2 . 51942 2 232 . 1 . 1 34 34 CYS HA H 1 4.789 0.003 . 1 . . . . . 34 CYS HA . 51942 2 233 . 1 . 1 34 34 CYS HB2 H 1 3.120 0.001 . 2 . . . . . 34 CYS HB2 . 51942 2 234 . 1 . 1 34 34 CYS HB3 H 1 3.639 0.006 . 2 . . . . . 34 CYS HB3 . 51942 2 235 . 1 . 1 34 34 CYS CA C 13 56.456 0.000 . 1 . . . . . 34 CYS CA . 51942 2 236 . 1 . 1 34 34 CYS CB C 13 36.943 0.000 . 1 . . . . . 34 CYS CB . 51942 2 237 . 1 . 1 35 35 CYS H H 1 9.423 0.002 . 1 . . . . . 35 CYS H . 51942 2 238 . 1 . 1 35 35 CYS HA H 1 5.325 0.004 . 1 . . . . . 35 CYS HA . 51942 2 239 . 1 . 1 35 35 CYS HB2 H 1 2.578 0.006 . 2 . . . . . 35 CYS HB2 . 51942 2 240 . 1 . 1 35 35 CYS HB3 H 1 3.195 0.006 . 2 . . . . . 35 CYS HB3 . 51942 2 241 . 1 . 1 35 35 CYS CA C 13 53.909 0.000 . 1 . . . . . 35 CYS CA . 51942 2 242 . 1 . 1 35 35 CYS CB C 13 45.887 0.012 . 1 . . . . . 35 CYS CB . 51942 2 243 . 1 . 1 36 36 ARG HA H 1 4.169 0.004 . 1 . . . . . 36 ARG HA . 51942 2 244 . 1 . 1 36 36 ARG HB2 H 1 1.723 0.003 . 2 . . . . . 36 ARG HB2 . 51942 2 245 . 1 . 1 36 36 ARG HB3 H 1 1.815 0.009 . 2 . . . . . 36 ARG HB3 . 51942 2 246 . 1 . 1 36 36 ARG HG2 H 1 1.724 0.007 . 2 . . . . . 36 ARG HG2 . 51942 2 247 . 1 . 1 36 36 ARG HG3 H 1 1.724 0.007 . 2 . . . . . 36 ARG HG3 . 51942 2 248 . 1 . 1 36 36 ARG HD2 H 1 3.220 0.004 . 2 . . . . . 36 ARG HD2 . 51942 2 249 . 1 . 1 36 36 ARG HD3 H 1 3.274 0.005 . 2 . . . . . 36 ARG HD3 . 51942 2 250 . 1 . 1 36 36 ARG CA C 13 58.034 0.000 . 1 . . . . . 36 ARG CA . 51942 2 251 . 1 . 1 36 36 ARG CB C 13 30.920 0.001 . 1 . . . . . 36 ARG CB . 51942 2 252 . 1 . 1 36 36 ARG CG C 13 27.660 0.016 . 1 . . . . . 36 ARG CG . 51942 2 253 . 1 . 1 36 36 ARG CD C 13 43.414 0.006 . 1 . . . . . 36 ARG CD . 51942 2 254 . 1 . 1 37 37 ARG HA H 1 4.230 0.004 . 1 . . . . . 37 ARG HA . 51942 2 255 . 1 . 1 37 37 ARG HB2 H 1 1.668 0.003 . 2 . . . . . 37 ARG HB2 . 51942 2 256 . 1 . 1 37 37 ARG HB3 H 1 1.668 0.003 . 2 . . . . . 37 ARG HB3 . 51942 2 257 . 1 . 1 37 37 ARG HG2 H 1 1.479 0.003 . 2 . . . . . 37 ARG HG2 . 51942 2 258 . 1 . 1 37 37 ARG HG3 H 1 1.479 0.003 . 2 . . . . . 37 ARG HG3 . 51942 2 259 . 1 . 1 37 37 ARG HD2 H 1 3.084 0.003 . 2 . . . . . 37 ARG HD2 . 51942 2 260 . 1 . 1 37 37 ARG HD3 H 1 3.084 0.003 . 2 . . . . . 37 ARG HD3 . 51942 2 261 . 1 . 1 37 37 ARG CA C 13 56.964 0.000 . 1 . . . . . 37 ARG CA . 51942 2 262 . 1 . 1 37 37 ARG CB C 13 30.940 0.000 . 1 . . . . . 37 ARG CB . 51942 2 263 . 1 . 1 37 37 ARG CG C 13 27.591 0.000 . 1 . . . . . 37 ARG CG . 51942 2 264 . 1 . 1 37 37 ARG CD C 13 43.436 0.000 . 1 . . . . . 37 ARG CD . 51942 2 265 . 1 . 1 38 38 SER HA H 1 4.390 0.000 . 1 . . . . . 38 SER HA . 51942 2 266 . 1 . 1 38 38 SER HB2 H 1 3.786 0.000 . 2 . . . . . 38 SER HB2 . 51942 2 267 . 1 . 1 38 38 SER HB3 H 1 3.827 0.000 . 2 . . . . . 38 SER HB3 . 51942 2 268 . 1 . 1 38 38 SER CA C 13 58.027 0.000 . 1 . . . . . 38 SER CA . 51942 2 269 . 1 . 1 38 38 SER CB C 13 63.665 0.019 . 1 . . . . . 38 SER CB . 51942 2 270 . 1 . 1 39 39 TYR HA H 1 4.523 0.003 . 1 . . . . . 39 TYR HA . 51942 2 271 . 1 . 1 39 39 TYR HB2 H 1 2.919 0.007 . 2 . . . . . 39 TYR HB2 . 51942 2 272 . 1 . 1 39 39 TYR HB3 H 1 3.090 0.002 . 2 . . . . . 39 TYR HB3 . 51942 2 273 . 1 . 1 39 39 TYR HD1 H 1 7.142 0.001 . 1 . . . . . 39 TYR HD1 . 51942 2 274 . 1 . 1 39 39 TYR HD2 H 1 7.142 0.001 . 1 . . . . . 39 TYR HD2 . 51942 2 275 . 1 . 1 39 39 TYR CA C 13 57.686 0.000 . 1 . . . . . 39 TYR CA . 51942 2 276 . 1 . 1 39 39 TYR CB C 13 39.025 0.017 . 1 . . . . . 39 TYR CB . 51942 2 stop_ save_ ################################### # 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_3 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_3 _Assigned_chem_shift_list.Entry_ID 51942 _Assigned_chem_shift_list.ID 3 _Assigned_chem_shift_list.Name Chemical-shifts_H2O_05C _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _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 13 '2D 1H-1H TOCSY' . . . 51942 3 14 '2D 1H-1H NOESY' . . . 51942 3 15 '2D 1H-13C HSQC aliphatic' . . . 51942 3 16 '2D 1H-13C HSQC aromatic' . . . 51942 3 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 51942 3 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 SER HA H 1 4.082 0.002 . 1 . . . . . 1 SER HA . 51942 3 2 . 1 . 1 1 1 SER HB2 H 1 3.914 0.001 . 2 . . . . . 1 SER HB2 . 51942 3 3 . 1 . 1 1 1 SER HB3 H 1 3.964 0.005 . 2 . . . . . 1 SER HB3 . 51942 3 4 . 1 . 1 1 1 SER CA C 13 57.222 0.000 . 1 . . . . . 1 SER CA . 51942 3 5 . 1 . 1 1 1 SER CB C 13 63.055 0.002 . 1 . . . . . 1 SER CB . 51942 3 6 . 1 . 1 2 2 TYR H H 1 8.779 0.000 . 1 . . . . . 2 TYR H . 51942 3 7 . 1 . 1 2 2 TYR HA H 1 4.737 0.001 . 1 . . . . . 2 TYR HA . 51942 3 8 . 1 . 1 2 2 TYR HB2 H 1 2.978 0.002 . 2 . . . . . 2 TYR HB2 . 51942 3 9 . 1 . 1 2 2 TYR HB3 H 1 2.978 0.002 . 2 . . . . . 2 TYR HB3 . 51942 3 10 . 1 . 1 2 2 TYR HD1 H 1 7.104 0.003 . 1 . . . . . 2 TYR HD1 . 51942 3 11 . 1 . 1 2 2 TYR HD2 H 1 7.104 0.003 . 1 . . . . . 2 TYR HD2 . 51942 3 12 . 1 . 1 2 2 TYR HE1 H 1 6.784 0.004 . 1 . . . . . 2 TYR HE1 . 51942 3 13 . 1 . 1 2 2 TYR HE2 H 1 6.784 0.004 . 1 . . . . . 2 TYR HE2 . 51942 3 14 . 1 . 1 2 2 TYR CB C 13 38.941 0.000 . 1 . . . . . 2 TYR CB . 51942 3 15 . 1 . 1 2 2 TYR CD1 C 13 133.173 0.000 . 1 . . . . . 2 TYR CD1 . 51942 3 16 . 1 . 1 2 2 TYR CD2 C 13 133.173 0.000 . 1 . . . . . 2 TYR CD2 . 51942 3 17 . 1 . 1 2 2 TYR CE1 C 13 118.205 0.000 . 1 . . . . . 2 TYR CE1 . 51942 3 18 . 1 . 1 2 2 TYR CE2 C 13 118.205 0.000 . 1 . . . . . 2 TYR CE2 . 51942 3 19 . 1 . 1 3 3 VAL H H 1 8.360 0.002 . 1 . . . . . 3 VAL H . 51942 3 20 . 1 . 1 3 3 VAL HA H 1 4.108 0.002 . 1 . . . . . 3 VAL HA . 51942 3 21 . 1 . 1 3 3 VAL HB H 1 2.080 0.002 . 1 . . . . . 3 VAL HB . 51942 3 22 . 1 . 1 3 3 VAL HG11 H 1 0.940 0.004 . 2 . . . . . 3 VAL QG1 . 51942 3 23 . 1 . 1 3 3 VAL HG12 H 1 0.940 0.004 . 2 . . . . . 3 VAL QG1 . 51942 3 24 . 1 . 1 3 3 VAL HG13 H 1 0.940 0.004 . 2 . . . . . 3 VAL QG1 . 51942 3 25 . 1 . 1 3 3 VAL HG21 H 1 0.944 0.002 . 2 . . . . . 3 VAL QG2 . 51942 3 26 . 1 . 1 3 3 VAL HG22 H 1 0.944 0.002 . 2 . . . . . 3 VAL QG2 . 51942 3 27 . 1 . 1 3 3 VAL HG23 H 1 0.944 0.002 . 2 . . . . . 3 VAL QG2 . 51942 3 28 . 1 . 1 3 3 VAL CA C 13 62.642 0.000 . 1 . . . . . 3 VAL CA . 51942 3 29 . 1 . 1 3 3 VAL CB C 13 32.906 0.000 . 1 . . . . . 3 VAL CB . 51942 3 30 . 1 . 1 3 3 VAL CG1 C 13 20.354 0.000 . 1 . . . . . 3 VAL CG1 . 51942 3 31 . 1 . 1 3 3 VAL CG2 C 13 21.106 0.000 . 1 . . . . . 3 VAL CG2 . 51942 3 32 . 1 . 1 4 4 GLY H H 1 7.899 0.001 . 1 . . . . . 4 GLY H . 51942 3 33 . 1 . 1 4 4 GLY HA2 H 1 3.913 0.002 . 2 . . . . . 4 GLY HA2 . 51942 3 34 . 1 . 1 4 4 GLY HA3 H 1 4.051 0.001 . 2 . . . . . 4 GLY HA3 . 51942 3 35 . 1 . 1 4 4 GLY CA C 13 44.665 0.006 . 1 . . . . . 4 GLY CA . 51942 3 36 . 1 . 1 5 5 ASP H H 1 8.352 0.002 . 1 . . . . . 5 ASP H . 51942 3 37 . 1 . 1 5 5 ASP HA H 1 4.656 0.002 . 1 . . . . . 5 ASP HA . 51942 3 38 . 1 . 1 5 5 ASP HB2 H 1 2.682 0.003 . 2 . . . . . 5 ASP HB2 . 51942 3 39 . 1 . 1 5 5 ASP HB3 H 1 2.902 0.002 . 2 . . . . . 5 ASP HB3 . 51942 3 40 . 1 . 1 5 5 ASP CB C 13 41.900 0.018 . 1 . . . . . 5 ASP CB . 51942 3 41 . 1 . 1 6 6 CYS H H 1 8.786 0.001 . 1 . . . . . 6 CYS H . 51942 3 42 . 1 . 1 6 6 CYS HA H 1 3.850 0.003 . 1 . . . . . 6 CYS HA . 51942 3 43 . 1 . 1 6 6 CYS HB2 H 1 2.841 0.002 . 2 . . . . . 6 CYS HB2 . 51942 3 44 . 1 . 1 6 6 CYS HB3 H 1 2.940 0.003 . 2 . . . . . 6 CYS HB3 . 51942 3 45 . 1 . 1 6 6 CYS CA C 13 59.951 0.000 . 1 . . . . . 6 CYS CA . 51942 3 46 . 1 . 1 6 6 CYS CB C 13 39.444 0.008 . 1 . . . . . 6 CYS CB . 51942 3 47 . 1 . 1 7 7 GLY H H 1 8.663 0.002 . 1 . . . . . 7 GLY H . 51942 3 48 . 1 . 1 7 7 GLY HA2 H 1 3.770 0.001 . 2 . . . . . 7 GLY HA2 . 51942 3 49 . 1 . 1 7 7 GLY HA3 H 1 4.348 0.003 . 2 . . . . . 7 GLY HA3 . 51942 3 50 . 1 . 1 7 7 GLY CA C 13 46.372 0.012 . 1 . . . . . 7 GLY CA . 51942 3 51 . 1 . 1 8 8 SER H H 1 8.121 0.001 . 1 . . . . . 8 SER H . 51942 3 52 . 1 . 1 8 8 SER HA H 1 4.442 0.003 . 1 . . . . . 8 SER HA . 51942 3 53 . 1 . 1 8 8 SER HB2 H 1 3.881 0.003 . 2 . . . . . 8 SER HB2 . 51942 3 54 . 1 . 1 8 8 SER HB3 H 1 3.881 0.003 . 2 . . . . . 8 SER HB3 . 51942 3 55 . 1 . 1 8 8 SER CA C 13 60.016 0.000 . 1 . . . . . 8 SER CA . 51942 3 56 . 1 . 1 8 8 SER CB C 13 62.772 0.000 . 1 . . . . . 8 SER CB . 51942 3 57 . 1 . 1 9 9 ASN H H 1 7.297 0.002 . 1 . . . . . 9 ASN H . 51942 3 58 . 1 . 1 9 9 ASN HA H 1 4.736 0.003 . 1 . . . . . 9 ASN HA . 51942 3 59 . 1 . 1 9 9 ASN HB2 H 1 1.551 0.004 . 2 . . . . . 9 ASN HB2 . 51942 3 60 . 1 . 1 9 9 ASN HB3 H 1 2.437 0.003 . 2 . . . . . 9 ASN HB3 . 51942 3 61 . 1 . 1 9 9 ASN HD21 H 1 6.940 0.000 . 2 . . . . . 9 ASN HD21 . 51942 3 62 . 1 . 1 9 9 ASN HD22 H 1 7.220 0.000 . 2 . . . . . 9 ASN HD22 . 51942 3 63 . 1 . 1 9 9 ASN CB C 13 40.035 0.011 . 1 . . . . . 9 ASN CB . 51942 3 64 . 1 . 1 10 10 GLY H H 1 7.838 0.001 . 1 . . . . . 10 GLY H . 51942 3 65 . 1 . 1 10 10 GLY HA2 H 1 3.732 0.004 . 2 . . . . . 10 GLY HA2 . 51942 3 66 . 1 . 1 10 10 GLY HA3 H 1 4.149 0.003 . 2 . . . . . 10 GLY HA3 . 51942 3 67 . 1 . 1 10 10 GLY CA C 13 46.025 0.019 . 1 . . . . . 10 GLY CA . 51942 3 68 . 1 . 1 11 11 GLY H H 1 7.962 0.001 . 1 . . . . . 11 GLY H . 51942 3 69 . 1 . 1 11 11 GLY HA2 H 1 3.326 0.002 . 2 . . . . . 11 GLY HA2 . 51942 3 70 . 1 . 1 11 11 GLY HA3 H 1 4.899 0.002 . 2 . . . . . 11 GLY HA3 . 51942 3 71 . 1 . 1 11 11 GLY CA C 13 44.146 0.000 . 1 . . . . . 11 GLY CA . 51942 3 72 . 1 . 1 12 12 SER H H 1 8.605 0.001 . 1 . . . . . 12 SER H . 51942 3 73 . 1 . 1 12 12 SER HA H 1 4.525 0.003 . 1 . . . . . 12 SER HA . 51942 3 74 . 1 . 1 12 12 SER HB2 H 1 3.623 0.002 . 2 . . . . . 12 SER HB2 . 51942 3 75 . 1 . 1 12 12 SER HB3 H 1 3.698 0.004 . 2 . . . . . 12 SER HB3 . 51942 3 76 . 1 . 1 12 12 SER CA C 13 57.327 0.000 . 1 . . . . . 12 SER CA . 51942 3 77 . 1 . 1 12 12 SER CB C 13 65.921 0.002 . 1 . . . . . 12 SER CB . 51942 3 78 . 1 . 1 13 13 CYS H H 1 9.075 0.001 . 1 . . . . . 13 CYS H . 51942 3 79 . 1 . 1 13 13 CYS HA H 1 5.241 0.002 . 1 . . . . . 13 CYS HA . 51942 3 80 . 1 . 1 13 13 CYS HB2 H 1 2.601 0.003 . 2 . . . . . 13 CYS HB2 . 51942 3 81 . 1 . 1 13 13 CYS HB3 H 1 3.011 0.003 . 2 . . . . . 13 CYS HB3 . 51942 3 82 . 1 . 1 13 13 CYS CB C 13 38.653 0.027 . 1 . . . . . 13 CYS CB . 51942 3 83 . 1 . 1 14 14 VAL H H 1 9.266 0.003 . 1 . . . . . 14 VAL H . 51942 3 84 . 1 . 1 14 14 VAL HA H 1 4.924 0.001 . 1 . . . . . 14 VAL HA . 51942 3 85 . 1 . 1 14 14 VAL HB H 1 2.382 0.002 . 1 . . . . . 14 VAL HB . 51942 3 86 . 1 . 1 14 14 VAL HG11 H 1 0.914 0.003 . 2 . . . . . 14 VAL QG1 . 51942 3 87 . 1 . 1 14 14 VAL HG12 H 1 0.914 0.003 . 2 . . . . . 14 VAL QG1 . 51942 3 88 . 1 . 1 14 14 VAL HG13 H 1 0.914 0.003 . 2 . . . . . 14 VAL QG1 . 51942 3 89 . 1 . 1 14 14 VAL HG21 H 1 0.977 0.003 . 2 . . . . . 14 VAL QG2 . 51942 3 90 . 1 . 1 14 14 VAL HG22 H 1 0.977 0.003 . 2 . . . . . 14 VAL QG2 . 51942 3 91 . 1 . 1 14 14 VAL HG23 H 1 0.977 0.003 . 2 . . . . . 14 VAL QG2 . 51942 3 92 . 1 . 1 14 14 VAL CB C 13 35.422 0.000 . 1 . . . . . 14 VAL CB . 51942 3 93 . 1 . 1 14 14 VAL CG1 C 13 21.528 0.000 . 1 . . . . . 14 VAL CG1 . 51942 3 94 . 1 . 1 14 14 VAL CG2 C 13 17.889 0.000 . 1 . . . . . 14 VAL CG2 . 51942 3 95 . 1 . 1 15 15 SER H H 1 9.269 0.001 . 1 . . . . . 15 SER H . 51942 3 96 . 1 . 1 15 15 SER HA H 1 4.840 0.001 . 1 . . . . . 15 SER HA . 51942 3 97 . 1 . 1 15 15 SER HB2 H 1 3.756 0.003 . 2 . . . . . 15 SER HB2 . 51942 3 98 . 1 . 1 15 15 SER HB3 H 1 4.032 0.004 . 2 . . . . . 15 SER HB3 . 51942 3 99 . 1 . 1 15 15 SER CB C 13 64.022 0.002 . 1 . . . . . 15 SER CB . 51942 3 100 . 1 . 1 16 16 SER H H 1 7.318 0.001 . 1 . . . . . 16 SER H . 51942 3 101 . 1 . 1 16 16 SER HA H 1 4.492 0.003 . 1 . . . . . 16 SER HA . 51942 3 102 . 1 . 1 16 16 SER HB2 H 1 3.898 0.003 . 2 . . . . . 16 SER HB2 . 51942 3 103 . 1 . 1 16 16 SER HB3 H 1 4.131 0.003 . 2 . . . . . 16 SER HB3 . 51942 3 104 . 1 . 1 16 16 SER CA C 13 56.419 0.000 . 1 . . . . . 16 SER CA . 51942 3 105 . 1 . 1 16 16 SER CB C 13 64.320 0.007 . 1 . . . . . 16 SER CB . 51942 3 106 . 1 . 1 17 17 TYR H H 1 8.613 0.000 . 1 . . . . . 17 TYR H . 51942 3 107 . 1 . 1 17 17 TYR HA H 1 4.200 0.002 . 1 . . . . . 17 TYR HA . 51942 3 108 . 1 . 1 17 17 TYR HB2 H 1 2.729 0.002 . 2 . . . . . 17 TYR HB2 . 51942 3 109 . 1 . 1 17 17 TYR HB3 H 1 3.136 0.002 . 2 . . . . . 17 TYR HB3 . 51942 3 110 . 1 . 1 17 17 TYR HD1 H 1 7.048 0.002 . 1 . . . . . 17 TYR HD1 . 51942 3 111 . 1 . 1 17 17 TYR HD2 H 1 7.048 0.002 . 1 . . . . . 17 TYR HD2 . 51942 3 112 . 1 . 1 17 17 TYR HE1 H 1 6.738 0.003 . 1 . . . . . 17 TYR HE1 . 51942 3 113 . 1 . 1 17 17 TYR HE2 H 1 6.738 0.003 . 1 . . . . . 17 TYR HE2 . 51942 3 114 . 1 . 1 17 17 TYR CA C 13 59.454 0.000 . 1 . . . . . 17 TYR CA . 51942 3 115 . 1 . 1 17 17 TYR CB C 13 38.309 0.005 . 1 . . . . . 17 TYR CB . 51942 3 116 . 1 . 1 17 17 TYR CD1 C 13 133.198 0.000 . 1 . . . . . 17 TYR CD1 . 51942 3 117 . 1 . 1 17 17 TYR CD2 C 13 133.198 0.000 . 1 . . . . . 17 TYR CD2 . 51942 3 118 . 1 . 1 17 17 TYR CE1 C 13 117.837 0.000 . 1 . . . . . 17 TYR CE1 . 51942 3 119 . 1 . 1 17 17 TYR CE2 C 13 117.837 0.000 . 1 . . . . . 17 TYR CE2 . 51942 3 120 . 1 . 1 18 18 CYS H H 1 8.436 0.002 . 1 . . . . . 18 CYS H . 51942 3 121 . 1 . 1 18 18 CYS HA H 1 4.955 0.001 . 1 . . . . . 18 CYS HA . 51942 3 122 . 1 . 1 18 18 CYS HB2 H 1 2.289 0.002 . 2 . . . . . 18 CYS HB2 . 51942 3 123 . 1 . 1 18 18 CYS HB3 H 1 2.895 0.006 . 2 . . . . . 18 CYS HB3 . 51942 3 124 . 1 . 1 18 18 CYS CB C 13 42.193 0.009 . 1 . . . . . 18 CYS CB . 51942 3 125 . 1 . 1 19 19 PRO HA H 1 4.151 0.002 . 1 . . . . . 19 PRO HA . 51942 3 126 . 1 . 1 19 19 PRO HB2 H 1 1.853 0.003 . 2 . . . . . 19 PRO HB2 . 51942 3 127 . 1 . 1 19 19 PRO HB3 H 1 2.458 0.002 . 2 . . . . . 19 PRO HB3 . 51942 3 128 . 1 . 1 19 19 PRO HG2 H 1 1.976 0.002 . 2 . . . . . 19 PRO HG2 . 51942 3 129 . 1 . 1 19 19 PRO HG3 H 1 2.065 0.004 . 2 . . . . . 19 PRO HG3 . 51942 3 130 . 1 . 1 19 19 PRO HD2 H 1 3.425 0.006 . 2 . . . . . 19 PRO HD2 . 51942 3 131 . 1 . 1 19 19 PRO HD3 H 1 3.669 0.005 . 2 . . . . . 19 PRO HD3 . 51942 3 132 . 1 . 1 19 19 PRO CA C 13 62.900 0.000 . 1 . . . . . 19 PRO CA . 51942 3 133 . 1 . 1 19 19 PRO CB C 13 32.285 0.006 . 1 . . . . . 19 PRO CB . 51942 3 134 . 1 . 1 19 19 PRO CG C 13 27.615 0.007 . 1 . . . . . 19 PRO CG . 51942 3 135 . 1 . 1 19 19 PRO CD C 13 51.315 0.001 . 1 . . . . . 19 PRO CD . 51942 3 136 . 1 . 1 20 20 TYR H H 1 8.594 0.002 . 1 . . . . . 20 TYR H . 51942 3 137 . 1 . 1 20 20 TYR HA H 1 3.717 0.003 . 1 . . . . . 20 TYR HA . 51942 3 138 . 1 . 1 20 20 TYR HB2 H 1 2.972 0.002 . 2 . . . . . 20 TYR HB2 . 51942 3 139 . 1 . 1 20 20 TYR HB3 H 1 3.058 0.003 . 2 . . . . . 20 TYR HB3 . 51942 3 140 . 1 . 1 20 20 TYR HD1 H 1 7.127 0.003 . 1 . . . . . 20 TYR HD1 . 51942 3 141 . 1 . 1 20 20 TYR HD2 H 1 7.127 0.003 . 1 . . . . . 20 TYR HD2 . 51942 3 142 . 1 . 1 20 20 TYR HE1 H 1 6.868 0.004 . 1 . . . . . 20 TYR HE1 . 51942 3 143 . 1 . 1 20 20 TYR HE2 H 1 6.868 0.004 . 1 . . . . . 20 TYR HE2 . 51942 3 144 . 1 . 1 20 20 TYR CA C 13 62.682 0.000 . 1 . . . . . 20 TYR CA . 51942 3 145 . 1 . 1 20 20 TYR CB C 13 38.506 0.003 . 1 . . . . . 20 TYR CB . 51942 3 146 . 1 . 1 20 20 TYR CD1 C 13 132.785 0.000 . 1 . . . . . 20 TYR CD1 . 51942 3 147 . 1 . 1 20 20 TYR CD2 C 13 132.785 0.000 . 1 . . . . . 20 TYR CD2 . 51942 3 148 . 1 . 1 20 20 TYR CE1 C 13 118.492 0.000 . 1 . . . . . 20 TYR CE1 . 51942 3 149 . 1 . 1 20 20 TYR CE2 C 13 118.492 0.000 . 1 . . . . . 20 TYR CE2 . 51942 3 150 . 1 . 1 21 21 GLY H H 1 9.071 0.001 . 1 . . . . . 21 GLY H . 51942 3 151 . 1 . 1 21 21 GLY HA2 H 1 3.877 0.004 . 2 . . . . . 21 GLY HA2 . 51942 3 152 . 1 . 1 21 21 GLY HA3 H 1 3.877 0.004 . 2 . . . . . 21 GLY HA3 . 51942 3 153 . 1 . 1 21 21 GLY CA C 13 45.817 0.000 . 1 . . . . . 21 GLY CA . 51942 3 154 . 1 . 1 22 22 ASN H H 1 8.196 0.002 . 1 . . . . . 22 ASN H . 51942 3 155 . 1 . 1 22 22 ASN HA H 1 4.864 0.004 . 1 . . . . . 22 ASN HA . 51942 3 156 . 1 . 1 22 22 ASN HB2 H 1 2.587 0.003 . 2 . . . . . 22 ASN HB2 . 51942 3 157 . 1 . 1 22 22 ASN HB3 H 1 3.133 0.002 . 2 . . . . . 22 ASN HB3 . 51942 3 158 . 1 . 1 22 22 ASN HD21 H 1 6.969 0.001 . 2 . . . . . 22 ASN HD21 . 51942 3 159 . 1 . 1 22 22 ASN HD22 H 1 7.136 0.002 . 2 . . . . . 22 ASN HD22 . 51942 3 160 . 1 . 1 22 22 ASN CB C 13 39.611 0.009 . 1 . . . . . 22 ASN CB . 51942 3 161 . 1 . 1 23 23 ARG H H 1 7.297 0.001 . 1 . . . . . 23 ARG H . 51942 3 162 . 1 . 1 23 23 ARG HA H 1 4.610 0.001 . 1 . . . . . 23 ARG HA . 51942 3 163 . 1 . 1 23 23 ARG HB2 H 1 1.676 0.006 . 2 . . . . . 23 ARG HB2 . 51942 3 164 . 1 . 1 23 23 ARG HB3 H 1 1.821 0.004 . 2 . . . . . 23 ARG HB3 . 51942 3 165 . 1 . 1 23 23 ARG HG2 H 1 1.255 0.005 . 2 . . . . . 23 ARG HG2 . 51942 3 166 . 1 . 1 23 23 ARG HG3 H 1 1.683 0.001 . 2 . . . . . 23 ARG HG3 . 51942 3 167 . 1 . 1 23 23 ARG HD2 H 1 2.907 0.002 . 2 . . . . . 23 ARG HD2 . 51942 3 168 . 1 . 1 23 23 ARG HD3 H 1 3.132 0.002 . 2 . . . . . 23 ARG HD3 . 51942 3 169 . 1 . 1 23 23 ARG HE H 1 6.673 0.001 . 1 . . . . . 23 ARG HE . 51942 3 170 . 1 . 1 23 23 ARG CB C 13 30.462 0.003 . 1 . . . . . 23 ARG CB . 51942 3 171 . 1 . 1 23 23 ARG CG C 13 28.264 0.000 . 1 . . . . . 23 ARG CG . 51942 3 172 . 1 . 1 23 23 ARG CD C 13 43.782 0.005 . 1 . . . . . 23 ARG CD . 51942 3 173 . 1 . 1 24 24 LEU H H 1 8.508 0.002 . 1 . . . . . 24 LEU H . 51942 3 174 . 1 . 1 24 24 LEU HA H 1 4.669 0.003 . 1 . . . . . 24 LEU HA . 51942 3 175 . 1 . 1 24 24 LEU HB2 H 1 1.499 0.004 . 2 . . . . . 24 LEU HB2 . 51942 3 176 . 1 . 1 24 24 LEU HB3 H 1 1.601 0.004 . 2 . . . . . 24 LEU HB3 . 51942 3 177 . 1 . 1 24 24 LEU HG H 1 1.555 0.004 . 1 . . . . . 24 LEU HG . 51942 3 178 . 1 . 1 24 24 LEU HD11 H 1 0.788 0.002 . 2 . . . . . 24 LEU QD1 . 51942 3 179 . 1 . 1 24 24 LEU HD12 H 1 0.788 0.002 . 2 . . . . . 24 LEU QD1 . 51942 3 180 . 1 . 1 24 24 LEU HD13 H 1 0.788 0.002 . 2 . . . . . 24 LEU QD1 . 51942 3 181 . 1 . 1 24 24 LEU HD21 H 1 0.891 0.002 . 2 . . . . . 24 LEU QD2 . 51942 3 182 . 1 . 1 24 24 LEU HD22 H 1 0.891 0.002 . 2 . . . . . 24 LEU QD2 . 51942 3 183 . 1 . 1 24 24 LEU HD23 H 1 0.891 0.002 . 2 . . . . . 24 LEU QD2 . 51942 3 184 . 1 . 1 24 24 LEU CB C 13 45.342 0.009 . 1 . . . . . 24 LEU CB . 51942 3 185 . 1 . 1 24 24 LEU CG C 13 26.926 0.000 . 1 . . . . . 24 LEU CG . 51942 3 186 . 1 . 1 24 24 LEU CD1 C 13 25.487 0.000 . 1 . . . . . 24 LEU CD1 . 51942 3 187 . 1 . 1 24 24 LEU CD2 C 13 22.831 0.000 . 1 . . . . . 24 LEU CD2 . 51942 3 188 . 1 . 1 25 25 ASN H H 1 8.831 0.000 . 1 . . . . . 25 ASN H . 51942 3 189 . 1 . 1 25 25 ASN HA H 1 4.641 0.001 . 1 . . . . . 25 ASN HA . 51942 3 190 . 1 . 1 25 25 ASN HB2 H 1 2.325 0.003 . 2 . . . . . 25 ASN HB2 . 51942 3 191 . 1 . 1 25 25 ASN HB3 H 1 2.494 0.005 . 2 . . . . . 25 ASN HB3 . 51942 3 192 . 1 . 1 25 25 ASN HD21 H 1 6.836 0.001 . 2 . . . . . 25 ASN HD21 . 51942 3 193 . 1 . 1 25 25 ASN HD22 H 1 7.387 0.000 . 2 . . . . . 25 ASN HD22 . 51942 3 194 . 1 . 1 25 25 ASN CB C 13 36.571 0.013 . 1 . . . . . 25 ASN CB . 51942 3 195 . 1 . 1 26 26 TYR H H 1 7.316 0.001 . 1 . . . . . 26 TYR H . 51942 3 196 . 1 . 1 26 26 TYR HA H 1 4.669 0.002 . 1 . . . . . 26 TYR HA . 51942 3 197 . 1 . 1 26 26 TYR HB2 H 1 2.502 0.001 . 2 . . . . . 26 TYR HB2 . 51942 3 198 . 1 . 1 26 26 TYR HB3 H 1 3.084 0.003 . 2 . . . . . 26 TYR HB3 . 51942 3 199 . 1 . 1 26 26 TYR HD1 H 1 6.942 0.004 . 1 . . . . . 26 TYR HD1 . 51942 3 200 . 1 . 1 26 26 TYR HD2 H 1 6.942 0.004 . 1 . . . . . 26 TYR HD2 . 51942 3 201 . 1 . 1 26 26 TYR HE1 H 1 6.675 0.003 . 1 . . . . . 26 TYR HE1 . 51942 3 202 . 1 . 1 26 26 TYR HE2 H 1 6.675 0.003 . 1 . . . . . 26 TYR HE2 . 51942 3 203 . 1 . 1 26 26 TYR CB C 13 42.412 0.021 . 1 . . . . . 26 TYR CB . 51942 3 204 . 1 . 1 26 26 TYR CD1 C 13 133.022 0.000 . 1 . . . . . 26 TYR CD1 . 51942 3 205 . 1 . 1 26 26 TYR CD2 C 13 133.022 0.000 . 1 . . . . . 26 TYR CD2 . 51942 3 206 . 1 . 1 26 26 TYR CE1 C 13 117.960 0.000 . 1 . . . . . 26 TYR CE1 . 51942 3 207 . 1 . 1 26 26 TYR CE2 C 13 117.960 0.000 . 1 . . . . . 26 TYR CE2 . 51942 3 208 . 1 . 1 27 27 PHE H H 1 8.882 0.000 . 1 . . . . . 27 PHE H . 51942 3 209 . 1 . 1 27 27 PHE HA H 1 4.392 0.002 . 1 . . . . . 27 PHE HA . 51942 3 210 . 1 . 1 27 27 PHE HB2 H 1 2.888 0.004 . 2 . . . . . 27 PHE HB2 . 51942 3 211 . 1 . 1 27 27 PHE HB3 H 1 3.251 0.001 . 2 . . . . . 27 PHE HB3 . 51942 3 212 . 1 . 1 27 27 PHE HD1 H 1 7.211 0.002 . 1 . . . . . 27 PHE HD1 . 51942 3 213 . 1 . 1 27 27 PHE HD2 H 1 7.211 0.002 . 1 . . . . . 27 PHE HD2 . 51942 3 214 . 1 . 1 27 27 PHE HE1 H 1 7.321 0.004 . 1 . . . . . 27 PHE HE1 . 51942 3 215 . 1 . 1 27 27 PHE HE2 H 1 7.321 0.004 . 1 . . . . . 27 PHE HE2 . 51942 3 216 . 1 . 1 27 27 PHE HZ H 1 7.289 0.004 . 1 . . . . . 27 PHE HZ . 51942 3 217 . 1 . 1 27 27 PHE CA C 13 60.067 0.000 . 1 . . . . . 27 PHE CA . 51942 3 218 . 1 . 1 27 27 PHE CB C 13 40.157 0.001 . 1 . . . . . 27 PHE CB . 51942 3 219 . 1 . 1 27 27 PHE CD1 C 13 131.776 0.000 . 1 . . . . . 27 PHE CD1 . 51942 3 220 . 1 . 1 27 27 PHE CD2 C 13 131.776 0.000 . 1 . . . . . 27 PHE CD2 . 51942 3 221 . 1 . 1 27 27 PHE CE1 C 13 131.430 0.000 . 1 . . . . . 27 PHE CE1 . 51942 3 222 . 1 . 1 27 27 PHE CE2 C 13 131.430 0.000 . 1 . . . . . 27 PHE CE2 . 51942 3 223 . 1 . 1 27 27 PHE CZ C 13 129.802 0.000 . 1 . . . . . 27 PHE CZ . 51942 3 224 . 1 . 1 28 28 CYS H H 1 7.746 0.002 . 1 . . . . . 28 CYS H . 51942 3 225 . 1 . 1 28 28 CYS HA H 1 4.703 0.003 . 1 . . . . . 28 CYS HA . 51942 3 226 . 1 . 1 28 28 CYS HB2 H 1 2.408 0.002 . 2 . . . . . 28 CYS HB2 . 51942 3 227 . 1 . 1 28 28 CYS HB3 H 1 2.533 0.003 . 2 . . . . . 28 CYS HB3 . 51942 3 228 . 1 . 1 28 28 CYS CB C 13 43.398 0.002 . 1 . . . . . 28 CYS CB . 51942 3 229 . 1 . 1 29 29 PRO HA H 1 4.299 0.001 . 1 . . . . . 29 PRO HA . 51942 3 230 . 1 . 1 29 29 PRO HB2 H 1 1.859 0.004 . 2 . . . . . 29 PRO HB2 . 51942 3 231 . 1 . 1 29 29 PRO HB3 H 1 2.436 0.002 . 2 . . . . . 29 PRO HB3 . 51942 3 232 . 1 . 1 29 29 PRO HG2 H 1 1.928 0.002 . 2 . . . . . 29 PRO HG2 . 51942 3 233 . 1 . 1 29 29 PRO HG3 H 1 2.102 0.004 . 2 . . . . . 29 PRO HG3 . 51942 3 234 . 1 . 1 29 29 PRO HD2 H 1 3.432 0.004 . 2 . . . . . 29 PRO HD2 . 51942 3 235 . 1 . 1 29 29 PRO HD3 H 1 3.722 0.003 . 2 . . . . . 29 PRO HD3 . 51942 3 236 . 1 . 1 29 29 PRO CA C 13 62.255 0.000 . 1 . . . . . 29 PRO CA . 51942 3 237 . 1 . 1 29 29 PRO CB C 13 32.931 0.003 . 1 . . . . . 29 PRO CB . 51942 3 238 . 1 . 1 29 29 PRO CG C 13 27.380 0.001 . 1 . . . . . 29 PRO CG . 51942 3 239 . 1 . 1 29 29 PRO CD C 13 50.613 0.002 . 1 . . . . . 29 PRO CD . 51942 3 240 . 1 . 1 30 30 LEU H H 1 8.520 0.001 . 1 . . . . . 30 LEU H . 51942 3 241 . 1 . 1 30 30 LEU HA H 1 4.039 0.003 . 1 . . . . . 30 LEU HA . 51942 3 242 . 1 . 1 30 30 LEU HB2 H 1 1.610 0.001 . 2 . . . . . 30 LEU HB2 . 51942 3 243 . 1 . 1 30 30 LEU HB3 H 1 1.661 0.003 . 2 . . . . . 30 LEU HB3 . 51942 3 244 . 1 . 1 30 30 LEU HG H 1 1.607 0.008 . 1 . . . . . 30 LEU HG . 51942 3 245 . 1 . 1 30 30 LEU HD11 H 1 0.939 0.006 . 2 . . . . . 30 LEU QD1 . 51942 3 246 . 1 . 1 30 30 LEU HD12 H 1 0.939 0.006 . 2 . . . . . 30 LEU QD1 . 51942 3 247 . 1 . 1 30 30 LEU HD13 H 1 0.939 0.006 . 2 . . . . . 30 LEU QD1 . 51942 3 248 . 1 . 1 30 30 LEU HD21 H 1 0.947 0.000 . 2 . . . . . 30 LEU QD2 . 51942 3 249 . 1 . 1 30 30 LEU HD22 H 1 0.947 0.000 . 2 . . . . . 30 LEU QD2 . 51942 3 250 . 1 . 1 30 30 LEU HD23 H 1 0.947 0.000 . 2 . . . . . 30 LEU QD2 . 51942 3 251 . 1 . 1 30 30 LEU CA C 13 56.257 0.000 . 1 . . . . . 30 LEU CA . 51942 3 252 . 1 . 1 30 30 LEU CB C 13 40.881 0.003 . 1 . . . . . 30 LEU CB . 51942 3 253 . 1 . 1 30 30 LEU CG C 13 26.943 0.000 . 1 . . . . . 30 LEU CG . 51942 3 254 . 1 . 1 30 30 LEU CD1 C 13 23.648 0.000 . 1 . . . . . 30 LEU CD1 . 51942 3 255 . 1 . 1 30 30 LEU CD2 C 13 24.847 0.000 . 1 . . . . . 30 LEU CD2 . 51942 3 256 . 1 . 1 31 31 GLY H H 1 8.963 0.001 . 1 . . . . . 31 GLY H . 51942 3 257 . 1 . 1 31 31 GLY HA2 H 1 3.684 0.005 . 2 . . . . . 31 GLY HA2 . 51942 3 258 . 1 . 1 31 31 GLY HA3 H 1 4.165 0.002 . 2 . . . . . 31 GLY HA3 . 51942 3 259 . 1 . 1 31 31 GLY CA C 13 45.203 0.001 . 1 . . . . . 31 GLY CA . 51942 3 260 . 1 . 1 32 32 ARG H H 1 7.761 0.002 . 1 . . . . . 32 ARG H . 51942 3 261 . 1 . 1 32 32 ARG HA H 1 4.662 0.004 . 1 . . . . . 32 ARG HA . 51942 3 262 . 1 . 1 32 32 ARG HB2 H 1 1.476 0.004 . 2 . . . . . 32 ARG HB2 . 51942 3 263 . 1 . 1 32 32 ARG HB3 H 1 1.606 0.003 . 2 . . . . . 32 ARG HB3 . 51942 3 264 . 1 . 1 32 32 ARG HG2 H 1 1.352 0.004 . 2 . . . . . 32 ARG HG2 . 51942 3 265 . 1 . 1 32 32 ARG HG3 H 1 1.495 0.006 . 2 . . . . . 32 ARG HG3 . 51942 3 266 . 1 . 1 32 32 ARG HD2 H 1 2.860 0.005 . 2 . . . . . 32 ARG HD2 . 51942 3 267 . 1 . 1 32 32 ARG HD3 H 1 2.860 0.005 . 2 . . . . . 32 ARG HD3 . 51942 3 268 . 1 . 1 32 32 ARG HE H 1 7.117 0.001 . 1 . . . . . 32 ARG HE . 51942 3 269 . 1 . 1 32 32 ARG CB C 13 32.895 0.001 . 1 . . . . . 32 ARG CB . 51942 3 270 . 1 . 1 32 32 ARG CG C 13 28.695 0.004 . 1 . . . . . 32 ARG CG . 51942 3 271 . 1 . 1 32 32 ARG CD C 13 43.514 0.000 . 1 . . . . . 32 ARG CD . 51942 3 272 . 1 . 1 33 33 THR H H 1 8.732 0.002 . 1 . . . . . 33 THR H . 51942 3 273 . 1 . 1 33 33 THR HA H 1 4.401 0.002 . 1 . . . . . 33 THR HA . 51942 3 274 . 1 . 1 33 33 THR HB H 1 3.860 0.002 . 1 . . . . . 33 THR HB . 51942 3 275 . 1 . 1 33 33 THR HG21 H 1 1.099 0.002 . 1 . . . . . 33 THR QG2 . 51942 3 276 . 1 . 1 33 33 THR HG22 H 1 1.099 0.002 . 1 . . . . . 33 THR QG2 . 51942 3 277 . 1 . 1 33 33 THR HG23 H 1 1.099 0.002 . 1 . . . . . 33 THR QG2 . 51942 3 278 . 1 . 1 33 33 THR CA C 13 61.493 0.000 . 1 . . . . . 33 THR CA . 51942 3 279 . 1 . 1 33 33 THR CB C 13 71.438 0.000 . 1 . . . . . 33 THR CB . 51942 3 280 . 1 . 1 33 33 THR CG2 C 13 21.050 0.000 . 1 . . . . . 33 THR CG2 . 51942 3 281 . 1 . 1 34 34 CYS H H 1 9.180 0.001 . 1 . . . . . 34 CYS H . 51942 3 282 . 1 . 1 34 34 CYS HA H 1 4.763 0.001 . 1 . . . . . 34 CYS HA . 51942 3 283 . 1 . 1 34 34 CYS HB2 H 1 3.127 0.002 . 2 . . . . . 34 CYS HB2 . 51942 3 284 . 1 . 1 34 34 CYS HB3 H 1 3.687 0.003 . 2 . . . . . 34 CYS HB3 . 51942 3 285 . 1 . 1 34 34 CYS CB C 13 37.105 0.001 . 1 . . . . . 34 CYS CB . 51942 3 286 . 1 . 1 35 35 CYS H H 1 9.444 0.002 . 1 . . . . . 35 CYS H . 51942 3 287 . 1 . 1 35 35 CYS HA H 1 5.326 0.001 . 1 . . . . . 35 CYS HA . 51942 3 288 . 1 . 1 35 35 CYS HB2 H 1 2.561 0.003 . 2 . . . . . 35 CYS HB2 . 51942 3 289 . 1 . 1 35 35 CYS HB3 H 1 3.208 0.003 . 2 . . . . . 35 CYS HB3 . 51942 3 290 . 1 . 1 35 35 CYS CB C 13 45.651 0.005 . 1 . . . . . 35 CYS CB . 51942 3 291 . 1 . 1 36 36 ARG H H 1 9.457 0.002 . 1 . . . . . 36 ARG H . 51942 3 292 . 1 . 1 36 36 ARG HA H 1 4.142 0.002 . 1 . . . . . 36 ARG HA . 51942 3 293 . 1 . 1 36 36 ARG HB2 H 1 1.734 0.002 . 2 . . . . . 36 ARG HB2 . 51942 3 294 . 1 . 1 36 36 ARG HB3 H 1 1.800 0.005 . 2 . . . . . 36 ARG HB3 . 51942 3 295 . 1 . 1 36 36 ARG HG2 H 1 1.734 0.002 . 2 . . . . . 36 ARG HG2 . 51942 3 296 . 1 . 1 36 36 ARG HG3 H 1 1.734 0.002 . 2 . . . . . 36 ARG HG3 . 51942 3 297 . 1 . 1 36 36 ARG HD2 H 1 3.219 0.003 . 2 . . . . . 36 ARG HD2 . 51942 3 298 . 1 . 1 36 36 ARG HD3 H 1 3.297 0.002 . 2 . . . . . 36 ARG HD3 . 51942 3 299 . 1 . 1 36 36 ARG HE H 1 7.260 0.001 . 1 . . . . . 36 ARG HE . 51942 3 300 . 1 . 1 36 36 ARG CA C 13 58.200 0.000 . 1 . . . . . 36 ARG CA . 51942 3 301 . 1 . 1 36 36 ARG CB C 13 30.921 0.001 . 1 . . . . . 36 ARG CB . 51942 3 302 . 1 . 1 36 36 ARG CG C 13 27.664 0.000 . 1 . . . . . 36 ARG CG . 51942 3 303 . 1 . 1 36 36 ARG CD C 13 43.382 0.000 . 1 . . . . . 36 ARG CD . 51942 3 304 . 1 . 1 37 37 ARG H H 1 8.570 0.001 . 1 . . . . . 37 ARG H . 51942 3 305 . 1 . 1 37 37 ARG HA H 1 4.215 0.002 . 1 . . . . . 37 ARG HA . 51942 3 306 . 1 . 1 37 37 ARG HB2 H 1 1.659 0.002 . 2 . . . . . 37 ARG HB2 . 51942 3 307 . 1 . 1 37 37 ARG HB3 H 1 1.659 0.002 . 2 . . . . . 37 ARG HB3 . 51942 3 308 . 1 . 1 37 37 ARG HG2 H 1 1.460 0.003 . 2 . . . . . 37 ARG HG2 . 51942 3 309 . 1 . 1 37 37 ARG HG3 H 1 1.460 0.003 . 2 . . . . . 37 ARG HG3 . 51942 3 310 . 1 . 1 37 37 ARG HD2 H 1 3.087 0.004 . 2 . . . . . 37 ARG HD2 . 51942 3 311 . 1 . 1 37 37 ARG HD3 H 1 3.087 0.004 . 2 . . . . . 37 ARG HD3 . 51942 3 312 . 1 . 1 37 37 ARG HE H 1 7.120 0.000 . 1 . . . . . 37 ARG HE . 51942 3 313 . 1 . 1 37 37 ARG CA C 13 57.267 0.000 . 1 . . . . . 37 ARG CA . 51942 3 314 . 1 . 1 37 37 ARG CB C 13 30.917 0.000 . 1 . . . . . 37 ARG CB . 51942 3 315 . 1 . 1 37 37 ARG CG C 13 27.814 0.000 . 1 . . . . . 37 ARG CG . 51942 3 316 . 1 . 1 37 37 ARG CD C 13 43.483 0.000 . 1 . . . . . 37 ARG CD . 51942 3 317 . 1 . 1 38 38 SER H H 1 8.421 0.002 . 1 . . . . . 38 SER H . 51942 3 318 . 1 . 1 38 38 SER HA H 1 4.376 0.002 . 1 . . . . . 38 SER HA . 51942 3 319 . 1 . 1 38 38 SER HB2 H 1 3.787 0.002 . 2 . . . . . 38 SER HB2 . 51942 3 320 . 1 . 1 38 38 SER HB3 H 1 3.844 0.004 . 2 . . . . . 38 SER HB3 . 51942 3 321 . 1 . 1 38 38 SER CA C 13 58.084 0.000 . 1 . . . . . 38 SER CA . 51942 3 322 . 1 . 1 38 38 SER CB C 13 63.647 0.003 . 1 . . . . . 38 SER CB . 51942 3 323 . 1 . 1 39 39 TYR H H 1 8.294 0.001 . 1 . . . . . 39 TYR H . 51942 3 324 . 1 . 1 39 39 TYR HA H 1 4.509 0.002 . 1 . . . . . 39 TYR HA . 51942 3 325 . 1 . 1 39 39 TYR HB2 H 1 2.922 0.002 . 2 . . . . . 39 TYR HB2 . 51942 3 326 . 1 . 1 39 39 TYR HB3 H 1 3.081 0.004 . 2 . . . . . 39 TYR HB3 . 51942 3 327 . 1 . 1 39 39 TYR HD1 H 1 7.145 0.003 . 1 . . . . . 39 TYR HD1 . 51942 3 328 . 1 . 1 39 39 TYR HD2 H 1 7.145 0.003 . 1 . . . . . 39 TYR HD2 . 51942 3 329 . 1 . 1 39 39 TYR HE1 H 1 6.826 0.003 . 1 . . . . . 39 TYR HE1 . 51942 3 330 . 1 . 1 39 39 TYR HE2 H 1 6.826 0.003 . 1 . . . . . 39 TYR HE2 . 51942 3 331 . 1 . 1 39 39 TYR CA C 13 57.868 0.000 . 1 . . . . . 39 TYR CA . 51942 3 332 . 1 . 1 39 39 TYR CB C 13 38.979 0.001 . 1 . . . . . 39 TYR CB . 51942 3 333 . 1 . 1 39 39 TYR CD1 C 13 133.343 0.000 . 1 . . . . . 39 TYR CD1 . 51942 3 334 . 1 . 1 39 39 TYR CD2 C 13 133.343 0.000 . 1 . . . . . 39 TYR CD2 . 51942 3 335 . 1 . 1 39 39 TYR CE1 C 13 118.074 0.000 . 1 . . . . . 39 TYR CE1 . 51942 3 336 . 1 . 1 39 39 TYR CE2 C 13 118.074 0.000 . 1 . . . . . 39 TYR CE2 . 51942 3 337 . 1 . 1 40 40 NH2 HN1 H 1 7.174 0.000 . 2 . . . . . 40 NH2 HN1 . 51942 3 338 . 1 . 1 40 40 NH2 HN2 H 1 7.582 0.000 . 2 . . . . . 40 NH2 HN2 . 51942 3 stop_ save_