################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6865 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 isotropic 6865 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 SER HA H 1 4.363 0.020 . 1 . . . . 2 SER HA . 6865 1 2 . 1 1 2 2 SER HB2 H 1 3.772 0.020 . 2 . . . . 2 SER HB2 . 6865 1 3 . 1 1 2 2 SER HB3 H 1 3.740 0.020 . 2 . . . . 2 SER HB3 . 6865 1 4 . 1 1 2 2 SER CA C 13 57.192 0.200 . 1 . . . . 2 SER CA . 6865 1 5 . 1 1 2 2 SER CB C 13 62.688 0.200 . 1 . . . . 2 SER CB . 6865 1 6 . 1 1 3 3 ALA H H 1 8.503 0.020 . 1 . . . . 3 ALA H . 6865 1 7 . 1 1 3 3 ALA HA H 1 4.226 0.020 . 1 . . . . 3 ALA HA . 6865 1 8 . 1 1 3 3 ALA HB1 H 1 1.191 0.020 . 1 . . . . 3 ALA HB . 6865 1 9 . 1 1 3 3 ALA HB2 H 1 1.191 0.020 . 1 . . . . 3 ALA HB . 6865 1 10 . 1 1 3 3 ALA HB3 H 1 1.191 0.020 . 1 . . . . 3 ALA HB . 6865 1 11 . 1 1 3 3 ALA CA C 13 51.358 0.200 . 1 . . . . 3 ALA CA . 6865 1 12 . 1 1 3 3 ALA CB C 13 17.785 0.200 . 1 . . . . 3 ALA CB . 6865 1 13 . 1 1 3 3 ALA N N 15 126.298 0.200 . 1 . . . . 3 ALA N . 6865 1 14 . 1 1 4 4 SER H H 1 8.295 0.020 . 1 . . . . 4 SER H . 6865 1 15 . 1 1 4 4 SER HA H 1 4.270 0.020 . 1 . . . . 4 SER HA . 6865 1 16 . 1 1 4 4 SER HB2 H 1 3.835 0.020 . 2 . . . . 4 SER HB2 . 6865 1 17 . 1 1 4 4 SER HB3 H 1 3.711 0.020 . 2 . . . . 4 SER HB3 . 6865 1 18 . 1 1 4 4 SER CA C 13 57.380 0.200 . 1 . . . . 4 SER CA . 6865 1 19 . 1 1 4 4 SER CB C 13 62.157 0.200 . 1 . . . . 4 SER CB . 6865 1 20 . 1 1 4 4 SER N N 15 115.631 0.200 . 1 . . . . 4 SER N . 6865 1 21 . 1 1 5 5 CYS N N 15 119.340 0.200 . 1 . . . . 5 CYSS N . 6865 1 22 . 1 1 5 5 CYS H H 1 8.539 0.020 . 1 . . . . 5 CYSS H . 6865 1 23 . 1 1 5 5 CYS CA C 13 54.785 0.200 . 1 . . . . 5 CYSS CA . 6865 1 24 . 1 1 5 5 CYS HA H 1 4.469 0.020 . 1 . . . . 5 CYSS HA . 6865 1 25 . 1 1 5 5 CYS CB C 13 38.737 0.200 . 1 . . . . 5 CYSS CB . 6865 1 26 . 1 1 5 5 CYS HB2 H 1 2.690 0.020 . 2 . . . . 5 CYSS HB2 . 6865 1 27 . 1 1 5 5 CYS HB3 H 1 2.690 0.020 . 2 . . . . 5 CYSS HB3 . 6865 1 28 . 1 1 6 6 GLY H H 1 7.945 0.020 . 1 . . . . 6 GLY H . 6865 1 29 . 1 1 6 6 GLY HA2 H 1 4.211 0.020 . 2 . . . . 6 GLY HA2 . 6865 1 30 . 1 1 6 6 GLY HA3 H 1 3.513 0.020 . 2 . . . . 6 GLY HA3 . 6865 1 31 . 1 1 6 6 GLY CA C 13 42.590 0.200 . 1 . . . . 6 GLY CA . 6865 1 32 . 1 1 6 6 GLY N N 15 108.378 0.200 . 1 . . . . 6 GLY N . 6865 1 33 . 1 1 7 7 VAL H H 1 8.187 0.020 . 1 . . . . 7 VAL H . 6865 1 34 . 1 1 7 7 VAL HA H 1 3.855 0.020 . 1 . . . . 7 VAL HA . 6865 1 35 . 1 1 7 7 VAL HB H 1 1.914 0.020 . 1 . . . . 7 VAL HB . 6865 1 36 . 1 1 7 7 VAL HG11 H 1 0.865 0.020 . 2 . . . . 7 VAL HG1 . 6865 1 37 . 1 1 7 7 VAL HG12 H 1 0.865 0.020 . 2 . . . . 7 VAL HG1 . 6865 1 38 . 1 1 7 7 VAL HG13 H 1 0.865 0.020 . 2 . . . . 7 VAL HG1 . 6865 1 39 . 1 1 7 7 VAL HG21 H 1 0.815 0.020 . 2 . . . . 7 VAL HG2 . 6865 1 40 . 1 1 7 7 VAL HG22 H 1 0.815 0.020 . 2 . . . . 7 VAL HG2 . 6865 1 41 . 1 1 7 7 VAL HG23 H 1 0.815 0.020 . 2 . . . . 7 VAL HG2 . 6865 1 42 . 1 1 7 7 VAL CA C 13 60.462 0.200 . 1 . . . . 7 VAL CA . 6865 1 43 . 1 1 7 7 VAL CB C 13 31.906 0.200 . 1 . . . . 7 VAL CB . 6865 1 44 . 1 1 7 7 VAL CG1 C 13 19.909 0.200 . 1 . . . . 7 VAL CG1 . 6865 1 45 . 1 1 7 7 VAL CG2 C 13 19.053 0.200 . 1 . . . . 7 VAL CG2 . 6865 1 46 . 1 1 7 7 VAL N N 15 119.992 0.200 . 1 . . . . 7 VAL N . 6865 1 47 . 1 1 8 8 TRP H H 1 8.001 0.020 . 1 . . . . 8 TRP H . 6865 1 48 . 1 1 8 8 TRP HA H 1 4.173 0.020 . 1 . . . . 8 TRP HA . 6865 1 49 . 1 1 8 8 TRP HB2 H 1 2.629 0.020 . 2 . . . . 8 TRP HB2 . 6865 1 50 . 1 1 8 8 TRP HB3 H 1 3.017 0.020 . 2 . . . . 8 TRP HB3 . 6865 1 51 . 1 1 8 8 TRP HD1 H 1 7.098 0.020 . 1 . . . . 8 TRP HD1 . 6865 1 52 . 1 1 8 8 TRP HE1 H 1 9.832 0.020 . 1 . . . . 8 TRP HE1 . 6865 1 53 . 1 1 8 8 TRP HE3 H 1 6.831 0.020 . 1 . . . . 8 TRP HE3 . 6865 1 54 . 1 1 8 8 TRP HZ2 H 1 7.096 0.020 . 1 . . . . 8 TRP HZ2 . 6865 1 55 . 1 1 8 8 TRP HZ3 H 1 6.493 0.020 . 1 . . . . 8 TRP HZ3 . 6865 1 56 . 1 1 8 8 TRP HH2 H 1 6.484 0.020 . 1 . . . . 8 TRP HH2 . 6865 1 57 . 1 1 8 8 TRP CA C 13 56.462 0.200 . 1 . . . . 8 TRP CA . 6865 1 58 . 1 1 8 8 TRP CB C 13 29.729 0.200 . 1 . . . . 8 TRP CB . 6865 1 59 . 1 1 8 8 TRP CD1 C 13 126.243 0.200 . 1 . . . . 8 TRP CD1 . 6865 1 60 . 1 1 8 8 TRP CE3 C 13 117.474 0.200 . 1 . . . . 8 TRP CE3 . 6865 1 61 . 1 1 8 8 TRP CZ2 C 13 112.988 0.200 . 1 . . . . 8 TRP CZ2 . 6865 1 62 . 1 1 8 8 TRP CZ3 C 13 120.771 0.200 . 1 . . . . 8 TRP CZ3 . 6865 1 63 . 1 1 8 8 TRP CH2 C 13 122.794 0.200 . 1 . . . . 8 TRP CH2 . 6865 1 64 . 1 1 8 8 TRP N N 15 125.018 0.200 . 1 . . . . 8 TRP N . 6865 1 65 . 1 1 8 8 TRP NE1 N 15 128.801 0.200 . 1 . . . . 8 TRP NE1 . 6865 1 66 . 1 1 9 9 ASP H H 1 8.494 0.020 . 1 . . . . 9 ASP H . 6865 1 67 . 1 1 9 9 ASP HA H 1 4.643 0.020 . 1 . . . . 9 ASP HA . 6865 1 68 . 1 1 9 9 ASP HB2 H 1 2.993 0.020 . 2 . . . . 9 ASP HB2 . 6865 1 69 . 1 1 9 9 ASP HB3 H 1 2.898 0.020 . 2 . . . . 9 ASP HB3 . 6865 1 70 . 1 1 9 9 ASP CA C 13 52.549 0.200 . 1 . . . . 9 ASP CA . 6865 1 71 . 1 1 9 9 ASP CB C 13 39.966 0.200 . 1 . . . . 9 ASP CB . 6865 1 72 . 1 1 9 9 ASP N N 15 121.698 0.200 . 1 . . . . 9 ASP N . 6865 1 73 . 1 1 10 10 GLU H H 1 8.393 0.020 . 1 . . . . 10 GLU H . 6865 1 74 . 1 1 10 10 GLU HA H 1 4.052 0.020 . 1 . . . . 10 GLU HA . 6865 1 75 . 1 1 10 10 GLU HB2 H 1 2.028 0.020 . 2 . . . . 10 GLU HB2 . 6865 1 76 . 1 1 10 10 GLU HB3 H 1 1.863 0.020 . 2 . . . . 10 GLU HB3 . 6865 1 77 . 1 1 10 10 GLU HG2 H 1 2.452 0.020 . 2 . . . . 10 GLU HG2 . 6865 1 78 . 1 1 10 10 GLU HG3 H 1 2.327 0.020 . 2 . . . . 10 GLU HG3 . 6865 1 79 . 1 1 10 10 GLU CA C 13 55.193 0.200 . 1 . . . . 10 GLU CA . 6865 1 80 . 1 1 10 10 GLU CB C 13 29.068 0.200 . 1 . . . . 10 GLU CB . 6865 1 81 . 1 1 10 10 GLU CG C 13 34.873 0.200 . 1 . . . . 10 GLU CG . 6865 1 82 . 1 1 10 10 GLU N N 15 117.440 0.200 . 1 . . . . 10 GLU N . 6865 1 83 . 1 1 11 11 TRP H H 1 8.281 0.020 . 1 . . . . 11 TRP H . 6865 1 84 . 1 1 11 11 TRP HA H 1 4.378 0.020 . 1 . . . . 11 TRP HA . 6865 1 85 . 1 1 11 11 TRP HB2 H 1 2.829 0.020 . 2 . . . . 11 TRP HB2 . 6865 1 86 . 1 1 11 11 TRP HB3 H 1 3.244 0.020 . 2 . . . . 11 TRP HB3 . 6865 1 87 . 1 1 11 11 TRP HD1 H 1 7.191 0.020 . 1 . . . . 11 TRP HD1 . 6865 1 88 . 1 1 11 11 TRP HE1 H 1 9.922 0.020 . 1 . . . . 11 TRP HE1 . 6865 1 89 . 1 1 11 11 TRP HE3 H 1 7.061 0.020 . 1 . . . . 11 TRP HE3 . 6865 1 90 . 1 1 11 11 TRP HZ2 H 1 7.017 0.020 . 1 . . . . 11 TRP HZ2 . 6865 1 91 . 1 1 11 11 TRP HZ3 H 1 6.644 0.020 . 1 . . . . 11 TRP HZ3 . 6865 1 92 . 1 1 11 11 TRP HH2 H 1 6.561 0.020 . 1 . . . . 11 TRP HH2 . 6865 1 93 . 1 1 11 11 TRP CA C 13 57.282 0.200 . 1 . . . . 11 TRP CA . 6865 1 94 . 1 1 11 11 TRP CB C 13 29.921 0.200 . 1 . . . . 11 TRP CB . 6865 1 95 . 1 1 11 11 TRP CD1 C 13 126.841 0.200 . 1 . . . . 11 TRP CD1 . 6865 1 96 . 1 1 11 11 TRP CE3 C 13 118.410 0.200 . 1 . . . . 11 TRP CE3 . 6865 1 97 . 1 1 11 11 TRP CZ2 C 13 113.605 0.200 . 1 . . . . 11 TRP CZ2 . 6865 1 98 . 1 1 11 11 TRP CZ3 C 13 120.551 0.200 . 1 . . . . 11 TRP CZ3 . 6865 1 99 . 1 1 11 11 TRP CH2 C 13 122.683 0.200 . 1 . . . . 11 TRP CH2 . 6865 1 100 . 1 1 11 11 TRP N N 15 121.713 0.200 . 1 . . . . 11 TRP N . 6865 1 101 . 1 1 11 11 TRP NE1 N 15 129.598 0.200 . 1 . . . . 11 TRP NE1 . 6865 1 102 . 1 1 12 12 SER H H 1 9.433 0.020 . 1 . . . . 12 SER H . 6865 1 103 . 1 1 12 12 SER HA H 1 4.731 0.020 . 1 . . . . 12 SER HA . 6865 1 104 . 1 1 12 12 SER HB2 H 1 4.461 0.020 . 2 . . . . 12 SER HB2 . 6865 1 105 . 1 1 12 12 SER HB3 H 1 4.121 0.020 . 2 . . . . 12 SER HB3 . 6865 1 106 . 1 1 12 12 SER CA C 13 56.645 0.200 . 1 . . . . 12 SER CA . 6865 1 107 . 1 1 12 12 SER CB C 13 62.027 0.200 . 1 . . . . 12 SER CB . 6865 1 108 . 1 1 12 12 SER N N 15 119.369 0.200 . 1 . . . . 12 SER N . 6865 1 109 . 1 1 13 13 PRO HA H 1 4.486 0.020 . 1 . . . . 13 PRO HA . 6865 1 110 . 1 1 13 13 PRO HB2 H 1 1.710 0.020 . 2 . . . . 13 PRO HB2 . 6865 1 111 . 1 1 13 13 PRO HB3 H 1 2.320 0.020 . 2 . . . . 13 PRO HB3 . 6865 1 112 . 1 1 13 13 PRO HG2 H 1 1.944 0.020 . 1 . . . . 13 PRO HG2 . 6865 1 113 . 1 1 13 13 PRO HG3 H 1 1.944 0.020 . 1 . . . . 13 PRO HG3 . 6865 1 114 . 1 1 13 13 PRO HD2 H 1 3.617 0.020 . 2 . . . . 13 PRO HD2 . 6865 1 115 . 1 1 13 13 PRO HD3 H 1 3.841 0.020 . 2 . . . . 13 PRO HD3 . 6865 1 116 . 1 1 13 13 PRO CA C 13 61.495 0.200 . 1 . . . . 13 PRO CA . 6865 1 117 . 1 1 13 13 PRO CB C 13 30.773 0.200 . 1 . . . . 13 PRO CB . 6865 1 118 . 1 1 13 13 PRO CG C 13 26.638 0.200 . 1 . . . . 13 PRO CG . 6865 1 119 . 1 1 13 13 PRO CD C 13 49.085 0.200 . 1 . . . . 13 PRO CD . 6865 1 120 . 1 1 14 14 CYS N N 15 123.390 0.200 . 1 . . . . 14 CYSS N . 6865 1 121 . 1 1 14 14 CYS H H 1 9.057 0.020 . 1 . . . . 14 CYSS H . 6865 1 122 . 1 1 14 14 CYS CA C 13 54.734 0.200 . 1 . . . . 14 CYSS CA . 6865 1 123 . 1 1 14 14 CYS HA H 1 4.423 0.020 . 1 . . . . 14 CYSS HA . 6865 1 124 . 1 1 14 14 CYS CB C 13 38.566 0.200 . 1 . . . . 14 CYSS CB . 6865 1 125 . 1 1 14 14 CYS HB2 H 1 3.186 0.020 . 2 . . . . 14 CYSS HB2 . 6865 1 126 . 1 1 14 14 CYS HB3 H 1 2.861 0.020 . 2 . . . . 14 CYSS HB3 . 6865 1 127 . 1 1 15 15 SER H H 1 8.786 0.020 . 1 . . . . 15 SER H . 6865 1 128 . 1 1 15 15 SER HA H 1 4.025 0.020 . 1 . . . . 15 SER HA . 6865 1 129 . 1 1 15 15 SER HB2 H 1 4.111 0.020 . 2 . . . . 15 SER HB2 . 6865 1 130 . 1 1 15 15 SER HB3 H 1 4.047 0.020 . 2 . . . . 15 SER HB3 . 6865 1 131 . 1 1 15 15 SER HG H 1 6.369 0.020 . 1 . . . . 15 SER HG . 6865 1 132 . 1 1 15 15 SER CA C 13 60.025 0.200 . 1 . . . . 15 SER CA . 6865 1 133 . 1 1 15 15 SER CB C 13 61.388 0.200 . 1 . . . . 15 SER CB . 6865 1 134 . 1 1 15 15 SER N N 15 122.637 0.200 . 1 . . . . 15 SER N . 6865 1 135 . 1 1 16 16 VAL H H 1 6.751 0.020 . 1 . . . . 16 VAL H . 6865 1 136 . 1 1 16 16 VAL HA H 1 4.723 0.020 . 1 . . . . 16 VAL HA . 6865 1 137 . 1 1 16 16 VAL HB H 1 2.216 0.020 . 1 . . . . 16 VAL HB . 6865 1 138 . 1 1 16 16 VAL HG11 H 1 0.867 0.020 . 2 . . . . 16 VAL HG1 . 6865 1 139 . 1 1 16 16 VAL HG12 H 1 0.867 0.020 . 2 . . . . 16 VAL HG1 . 6865 1 140 . 1 1 16 16 VAL HG13 H 1 0.867 0.020 . 2 . . . . 16 VAL HG1 . 6865 1 141 . 1 1 16 16 VAL HG21 H 1 0.233 0.020 . 2 . . . . 16 VAL HG2 . 6865 1 142 . 1 1 16 16 VAL HG22 H 1 0.233 0.020 . 2 . . . . 16 VAL HG2 . 6865 1 143 . 1 1 16 16 VAL HG23 H 1 0.233 0.020 . 2 . . . . 16 VAL HG2 . 6865 1 144 . 1 1 16 16 VAL CA C 13 57.400 0.200 . 1 . . . . 16 VAL CA . 6865 1 145 . 1 1 16 16 VAL CB C 13 34.125 0.200 . 1 . . . . 16 VAL CB . 6865 1 146 . 1 1 16 16 VAL CG1 C 13 20.875 0.200 . 1 . . . . 16 VAL CG1 . 6865 1 147 . 1 1 16 16 VAL CG2 C 13 17.183 0.200 . 1 . . . . 16 VAL CG2 . 6865 1 148 . 1 1 16 16 VAL N N 15 112.660 0.200 . 1 . . . . 16 VAL N . 6865 1 149 . 1 1 17 17 THR H H 1 8.474 0.020 . 1 . . . . 17 THR H . 6865 1 150 . 1 1 17 17 THR HA H 1 4.124 0.020 . 1 . . . . 17 THR HA . 6865 1 151 . 1 1 17 17 THR HB H 1 4.211 0.020 . 1 . . . . 17 THR HB . 6865 1 152 . 1 1 17 17 THR HG21 H 1 1.113 0.020 . 1 . . . . 17 THR HG2 . 6865 1 153 . 1 1 17 17 THR HG22 H 1 1.113 0.020 . 1 . . . . 17 THR HG2 . 6865 1 154 . 1 1 17 17 THR HG23 H 1 1.113 0.020 . 1 . . . . 17 THR HG2 . 6865 1 155 . 1 1 17 17 THR CA C 13 60.923 0.200 . 1 . . . . 17 THR CA . 6865 1 156 . 1 1 17 17 THR CB C 13 67.943 0.200 . 1 . . . . 17 THR CB . 6865 1 157 . 1 1 17 17 THR CG2 C 13 20.671 0.200 . 1 . . . . 17 THR CG2 . 6865 1 158 . 1 1 17 17 THR N N 15 109.541 0.200 . 1 . . . . 17 THR N . 6865 1 159 . 1 1 18 18 CYS N N 15 116.067 0.200 . 1 . . . . 18 CYSS N . 6865 1 160 . 1 1 18 18 CYS H H 1 7.353 0.020 . 1 . . . . 18 CYSS H . 6865 1 161 . 1 1 18 18 CYS CA C 13 53.151 0.200 . 1 . . . . 18 CYSS CA . 6865 1 162 . 1 1 18 18 CYS HA H 1 4.832 0.020 . 1 . . . . 18 CYSS HA . 6865 1 163 . 1 1 18 18 CYS CB C 13 42.786 0.200 . 1 . . . . 18 CYSS CB . 6865 1 164 . 1 1 18 18 CYS HB2 H 1 2.992 0.020 . 2 . . . . 18 CYSS HB2 . 6865 1 165 . 1 1 18 18 CYS HB3 H 1 3.053 0.020 . 2 . . . . 18 CYSS HB3 . 6865 1 166 . 1 1 19 19 GLY H H 1 8.499 0.020 . 1 . . . . 19 GLY H . 6865 1 167 . 1 1 19 19 GLY HA2 H 1 4.044 0.020 . 2 . . . . 19 GLY HA2 . 6865 1 168 . 1 1 19 19 GLY HA3 H 1 3.710 0.020 . 2 . . . . 19 GLY HA3 . 6865 1 169 . 1 1 19 19 GLY CA C 13 43.702 0.200 . 1 . . . . 19 GLY CA . 6865 1 170 . 1 1 19 19 GLY N N 15 111.529 0.200 . 1 . . . . 19 GLY N . 6865 1 171 . 1 1 20 20 LYS H H 1 8.191 0.020 . 1 . . . . 20 LYS H . 6865 1 172 . 1 1 20 20 LYS HA H 1 4.708 0.020 . 1 . . . . 20 LYS HA . 6865 1 173 . 1 1 20 20 LYS HB2 H 1 1.745 0.020 . 2 . . . . 20 LYS HB2 . 6865 1 174 . 1 1 20 20 LYS HB3 H 1 1.649 0.020 . 2 . . . . 20 LYS HB3 . 6865 1 175 . 1 1 20 20 LYS HG2 H 1 1.387 0.020 . 2 . . . . 20 LYS HG2 . 6865 1 176 . 1 1 20 20 LYS HG3 H 1 1.216 0.020 . 2 . . . . 20 LYS HG3 . 6865 1 177 . 1 1 20 20 LYS HD2 H 1 1.527 0.020 . 1 . . . . 20 LYS HD2 . 6865 1 178 . 1 1 20 20 LYS HD3 H 1 1.527 0.020 . 1 . . . . 20 LYS HD3 . 6865 1 179 . 1 1 20 20 LYS HE2 H 1 2.816 0.020 . 1 . . . . 20 LYS HE2 . 6865 1 180 . 1 1 20 20 LYS HE3 H 1 2.816 0.020 . 1 . . . . 20 LYS HE3 . 6865 1 181 . 1 1 20 20 LYS CA C 13 55.304 0.200 . 1 . . . . 20 LYS CA . 6865 1 182 . 1 1 20 20 LYS CB C 13 32.965 0.200 . 1 . . . . 20 LYS CB . 6865 1 183 . 1 1 20 20 LYS CG C 13 24.334 0.200 . 1 . . . . 20 LYS CG . 6865 1 184 . 1 1 20 20 LYS CD C 13 28.189 0.200 . 1 . . . . 20 LYS CD . 6865 1 185 . 1 1 20 20 LYS CE C 13 40.886 0.200 . 1 . . . . 20 LYS CE . 6865 1 186 . 1 1 20 20 LYS N N 15 119.087 0.200 . 1 . . . . 20 LYS N . 6865 1 187 . 1 1 21 21 GLY H H 1 8.783 0.020 . 1 . . . . 21 GLY H . 6865 1 188 . 1 1 21 21 GLY HA2 H 1 4.361 0.020 . 2 . . . . 21 GLY HA2 . 6865 1 189 . 1 1 21 21 GLY HA3 H 1 3.752 0.020 . 2 . . . . 21 GLY HA3 . 6865 1 190 . 1 1 21 21 GLY CA C 13 43.889 0.200 . 1 . . . . 21 GLY CA . 6865 1 191 . 1 1 21 21 GLY N N 15 112.501 0.200 . 1 . . . . 21 GLY N . 6865 1 192 . 1 1 22 22 THR H H 1 9.107 0.020 . 1 . . . . 22 THR H . 6865 1 193 . 1 1 22 22 THR HA H 1 5.209 0.020 . 1 . . . . 22 THR HA . 6865 1 194 . 1 1 22 22 THR HB H 1 3.922 0.020 . 1 . . . . 22 THR HB . 6865 1 195 . 1 1 22 22 THR HG21 H 1 0.997 0.020 . 1 . . . . 22 THR HG2 . 6865 1 196 . 1 1 22 22 THR HG22 H 1 0.997 0.020 . 1 . . . . 22 THR HG2 . 6865 1 197 . 1 1 22 22 THR HG23 H 1 0.997 0.020 . 1 . . . . 22 THR HG2 . 6865 1 198 . 1 1 22 22 THR CA C 13 59.595 0.200 . 1 . . . . 22 THR CA . 6865 1 199 . 1 1 22 22 THR CB C 13 71.701 0.200 . 1 . . . . 22 THR CB . 6865 1 200 . 1 1 22 22 THR CG2 C 13 20.397 0.200 . 1 . . . . 22 THR CG2 . 6865 1 201 . 1 1 22 22 THR N N 15 116.052 0.200 . 1 . . . . 22 THR N . 6865 1 202 . 1 1 23 23 ARG H H 1 9.078 0.020 . 1 . . . . 23 ARG H . 6865 1 203 . 1 1 23 23 ARG HA H 1 4.757 0.020 . 1 . . . . 23 ARG HA . 6865 1 204 . 1 1 23 23 ARG HB2 H 1 1.988 0.020 . 2 . . . . 23 ARG HB2 . 6865 1 205 . 1 1 23 23 ARG HB3 H 1 1.641 0.020 . 2 . . . . 23 ARG HB3 . 6865 1 206 . 1 1 23 23 ARG HG2 H 1 0.983 0.020 . 2 . . . . 23 ARG HG2 . 6865 1 207 . 1 1 23 23 ARG HG3 H 1 1.125 0.020 . 2 . . . . 23 ARG HG3 . 6865 1 208 . 1 1 23 23 ARG HD2 H 1 2.574 0.020 . 1 . . . . 23 ARG HD2 . 6865 1 209 . 1 1 23 23 ARG HD3 H 1 2.574 0.020 . 1 . . . . 23 ARG HD3 . 6865 1 210 . 1 1 23 23 ARG HE H 1 5.721 0.020 . 1 . . . . 23 ARG HE . 6865 1 211 . 1 1 23 23 ARG CA C 13 53.309 0.200 . 1 . . . . 23 ARG CA . 6865 1 212 . 1 1 23 23 ARG CB C 13 32.861 0.200 . 1 . . . . 23 ARG CB . 6865 1 213 . 1 1 23 23 ARG CG C 13 23.670 0.200 . 1 . . . . 23 ARG CG . 6865 1 214 . 1 1 23 23 ARG CD C 13 43.100 0.200 . 1 . . . . 23 ARG CD . 6865 1 215 . 1 1 23 23 ARG N N 15 118.656 0.200 . 1 . . . . 23 ARG N . 6865 1 216 . 1 1 23 23 ARG NE N 15 109.440 0.200 . 1 . . . . 23 ARG NE . 6865 1 217 . 1 1 24 24 SER H H 1 8.861 0.020 . 1 . . . . 24 SER H . 6865 1 218 . 1 1 24 24 SER HA H 1 5.975 0.020 . 1 . . . . 24 SER HA . 6865 1 219 . 1 1 24 24 SER HB2 H 1 3.843 0.020 . 2 . . . . 24 SER HB2 . 6865 1 220 . 1 1 24 24 SER HB3 H 1 3.782 0.020 . 2 . . . . 24 SER HB3 . 6865 1 221 . 1 1 24 24 SER CA C 13 56.053 0.200 . 1 . . . . 24 SER CA . 6865 1 222 . 1 1 24 24 SER CB C 13 66.634 0.200 . 1 . . . . 24 SER CB . 6865 1 223 . 1 1 24 24 SER N N 15 113.336 0.200 . 1 . . . . 24 SER N . 6865 1 224 . 1 1 25 25 ARG H H 1 8.602 0.020 . 1 . . . . 25 ARG H . 6865 1 225 . 1 1 25 25 ARG HA H 1 4.630 0.020 . 1 . . . . 25 ARG HA . 6865 1 226 . 1 1 25 25 ARG HB2 H 1 0.619 0.020 . 2 . . . . 25 ARG HB2 . 6865 1 227 . 1 1 25 25 ARG HB3 H 1 0.817 0.020 . 2 . . . . 25 ARG HB3 . 6865 1 228 . 1 1 25 25 ARG HG2 H 1 0.258 0.020 . 2 . . . . 25 ARG HG2 . 6865 1 229 . 1 1 25 25 ARG HG3 H 1 0.168 0.020 . 2 . . . . 25 ARG HG3 . 6865 1 230 . 1 1 25 25 ARG HD2 H 1 1.059 0.020 . 2 . . . . 25 ARG HD2 . 6865 1 231 . 1 1 25 25 ARG HD3 H 1 0.824 0.020 . 2 . . . . 25 ARG HD3 . 6865 1 232 . 1 1 25 25 ARG CA C 13 53.499 0.200 . 1 . . . . 25 ARG CA . 6865 1 233 . 1 1 25 25 ARG CB C 13 32.178 0.200 . 1 . . . . 25 ARG CB . 6865 1 234 . 1 1 25 25 ARG CG C 13 24.003 0.200 . 1 . . . . 25 ARG CG . 6865 1 235 . 1 1 25 25 ARG CD C 13 41.555 0.200 . 1 . . . . 25 ARG CD . 6865 1 236 . 1 1 25 25 ARG N N 15 120.516 0.200 . 1 . . . . 25 ARG N . 6865 1 237 . 1 1 26 26 LYS H H 1 8.133 0.020 . 1 . . . . 26 LYS H . 6865 1 238 . 1 1 26 26 LYS HA H 1 5.617 0.020 . 1 . . . . 26 LYS HA . 6865 1 239 . 1 1 26 26 LYS HB2 H 1 1.929 0.020 . 2 . . . . 26 LYS HB2 . 6865 1 240 . 1 1 26 26 LYS HB3 H 1 1.757 0.020 . 2 . . . . 26 LYS HB3 . 6865 1 241 . 1 1 26 26 LYS HG2 H 1 1.411 0.020 . 2 . . . . 26 LYS HG2 . 6865 1 242 . 1 1 26 26 LYS HG3 H 1 1.364 0.020 . 2 . . . . 26 LYS HG3 . 6865 1 243 . 1 1 26 26 LYS HD2 H 1 1.607 0.020 . 1 . . . . 26 LYS HD2 . 6865 1 244 . 1 1 26 26 LYS HD3 H 1 1.607 0.020 . 1 . . . . 26 LYS HD3 . 6865 1 245 . 1 1 26 26 LYS HE2 H 1 2.887 0.020 . 1 . . . . 26 LYS HE2 . 6865 1 246 . 1 1 26 26 LYS HE3 H 1 2.887 0.020 . 1 . . . . 26 LYS HE3 . 6865 1 247 . 1 1 26 26 LYS CA C 13 53.680 0.200 . 1 . . . . 26 LYS CA . 6865 1 248 . 1 1 26 26 LYS CB C 13 36.151 0.200 . 1 . . . . 26 LYS CB . 6865 1 249 . 1 1 26 26 LYS CG C 13 23.762 0.200 . 1 . . . . 26 LYS CG . 6865 1 250 . 1 1 26 26 LYS CD C 13 28.241 0.200 . 1 . . . . 26 LYS CD . 6865 1 251 . 1 1 26 26 LYS CE C 13 40.913 0.200 . 1 . . . . 26 LYS CE . 6865 1 252 . 1 1 26 26 LYS N N 15 119.978 0.200 . 1 . . . . 26 LYS N . 6865 1 253 . 1 1 27 27 ARG H H 1 8.050 0.020 . 1 . . . . 27 ARG H . 6865 1 254 . 1 1 27 27 ARG HA H 1 4.510 0.020 . 1 . . . . 27 ARG HA . 6865 1 255 . 1 1 27 27 ARG HB2 H 1 1.195 0.020 . 2 . . . . 27 ARG HB2 . 6865 1 256 . 1 1 27 27 ARG HB3 H 1 1.142 0.020 . 2 . . . . 27 ARG HB3 . 6865 1 257 . 1 1 27 27 ARG HG2 H 1 0.766 0.020 . 2 . . . . 27 ARG HG2 . 6865 1 258 . 1 1 27 27 ARG HG3 H 1 0.505 0.020 . 2 . . . . 27 ARG HG3 . 6865 1 259 . 1 1 27 27 ARG HD2 H 1 0.271 0.020 . 2 . . . . 27 ARG HD2 . 6865 1 260 . 1 1 27 27 ARG HD3 H 1 1.780 0.020 . 2 . . . . 27 ARG HD3 . 6865 1 261 . 1 1 27 27 ARG HE H 1 5.952 0.020 . 1 . . . . 27 ARG HE . 6865 1 262 . 1 1 27 27 ARG CA C 13 53.346 0.200 . 1 . . . . 27 ARG CA . 6865 1 263 . 1 1 27 27 ARG CB C 13 32.351 0.200 . 1 . . . . 27 ARG CB . 6865 1 264 . 1 1 27 27 ARG CG C 13 23.120 0.200 . 1 . . . . 27 ARG CG . 6865 1 265 . 1 1 27 27 ARG CD C 13 42.008 0.200 . 1 . . . . 27 ARG CD . 6865 1 266 . 1 1 27 27 ARG N N 15 113.848 0.200 . 1 . . . . 27 ARG N . 6865 1 267 . 1 1 27 27 ARG NE N 15 112.640 0.200 . 1 . . . . 27 ARG NE . 6865 1 268 . 1 1 28 28 GLU H H 1 8.287 0.020 . 1 . . . . 28 GLU H . 6865 1 269 . 1 1 28 28 GLU HA H 1 4.180 0.020 . 1 . . . . 28 GLU HA . 6865 1 270 . 1 1 28 28 GLU HB2 H 1 1.779 0.020 . 2 . . . . 28 GLU HB2 . 6865 1 271 . 1 1 28 28 GLU HB3 H 1 1.723 0.020 . 2 . . . . 28 GLU HB3 . 6865 1 272 . 1 1 28 28 GLU HG2 H 1 2.141 0.020 . 2 . . . . 28 GLU HG2 . 6865 1 273 . 1 1 28 28 GLU HG3 H 1 2.037 0.020 . 2 . . . . 28 GLU HG3 . 6865 1 274 . 1 1 28 28 GLU CA C 13 54.134 0.200 . 1 . . . . 28 GLU CA . 6865 1 275 . 1 1 28 28 GLU CB C 13 28.317 0.200 . 1 . . . . 28 GLU CB . 6865 1 276 . 1 1 28 28 GLU CG C 13 34.853 0.200 . 1 . . . . 28 GLU CG . 6865 1 277 . 1 1 28 28 GLU N N 15 121.213 0.200 . 1 . . . . 28 GLU N . 6865 1 278 . 1 1 29 29 ILE H H 1 8.163 0.020 . 1 . . . . 29 ILE H . 6865 1 279 . 1 1 29 29 ILE HA H 1 4.012 0.020 . 1 . . . . 29 ILE HA . 6865 1 280 . 1 1 29 29 ILE HB H 1 1.564 0.020 . 1 . . . . 29 ILE HB . 6865 1 281 . 1 1 29 29 ILE HG12 H 1 1.319 0.020 . 2 . . . . 29 ILE HG12 . 6865 1 282 . 1 1 29 29 ILE HG13 H 1 0.930 0.020 . 2 . . . . 29 ILE HG13 . 6865 1 283 . 1 1 29 29 ILE HG21 H 1 0.566 0.020 . 1 . . . . 29 ILE HG2 . 6865 1 284 . 1 1 29 29 ILE HG22 H 1 0.566 0.020 . 1 . . . . 29 ILE HG2 . 6865 1 285 . 1 1 29 29 ILE HG23 H 1 0.566 0.020 . 1 . . . . 29 ILE HG2 . 6865 1 286 . 1 1 29 29 ILE HD11 H 1 0.785 0.020 . 1 . . . . 29 ILE HD1 . 6865 1 287 . 1 1 29 29 ILE HD12 H 1 0.785 0.020 . 1 . . . . 29 ILE HD1 . 6865 1 288 . 1 1 29 29 ILE HD13 H 1 0.785 0.020 . 1 . . . . 29 ILE HD1 . 6865 1 289 . 1 1 29 29 ILE CA C 13 60.251 0.200 . 1 . . . . 29 ILE CA . 6865 1 290 . 1 1 29 29 ILE CB C 13 38.236 0.200 . 1 . . . . 29 ILE CB . 6865 1 291 . 1 1 29 29 ILE CG1 C 13 24.994 0.200 . 1 . . . . 29 ILE CG1 . 6865 1 292 . 1 1 29 29 ILE CG2 C 13 18.196 0.200 . 1 . . . . 29 ILE CG2 . 6865 1 293 . 1 1 29 29 ILE CD1 C 13 12.424 0.200 . 1 . . . . 29 ILE CD1 . 6865 1 294 . 1 1 29 29 ILE N N 15 120.177 0.200 . 1 . . . . 29 ILE N . 6865 1 295 . 1 1 30 30 LEU H H 1 8.112 0.020 . 1 . . . . 30 LEU H . 6865 1 296 . 1 1 30 30 LEU HA H 1 4.125 0.020 . 1 . . . . 30 LEU HA . 6865 1 297 . 1 1 30 30 LEU HB2 H 1 1.476 0.020 . 2 . . . . 30 LEU HB2 . 6865 1 298 . 1 1 30 30 LEU HB3 H 1 1.302 0.020 . 2 . . . . 30 LEU HB3 . 6865 1 299 . 1 1 30 30 LEU HG H 1 1.298 0.020 . 1 . . . . 30 LEU HG . 6865 1 300 . 1 1 30 30 LEU HD11 H 1 0.656 0.020 . 2 . . . . 30 LEU HD1 . 6865 1 301 . 1 1 30 30 LEU HD12 H 1 0.656 0.020 . 2 . . . . 30 LEU HD1 . 6865 1 302 . 1 1 30 30 LEU HD13 H 1 0.656 0.020 . 2 . . . . 30 LEU HD1 . 6865 1 303 . 1 1 30 30 LEU HD21 H 1 0.623 0.020 . 2 . . . . 30 LEU HD2 . 6865 1 304 . 1 1 30 30 LEU HD22 H 1 0.623 0.020 . 2 . . . . 30 LEU HD2 . 6865 1 305 . 1 1 30 30 LEU HD23 H 1 0.623 0.020 . 2 . . . . 30 LEU HD2 . 6865 1 306 . 1 1 30 30 LEU CA C 13 54.186 0.200 . 1 . . . . 30 LEU CA . 6865 1 307 . 1 1 30 30 LEU CB C 13 41.454 0.200 . 1 . . . . 30 LEU CB . 6865 1 308 . 1 1 30 30 LEU CG C 13 25.552 0.200 . 1 . . . . 30 LEU CG . 6865 1 309 . 1 1 30 30 LEU CD1 C 13 23.505 0.200 . 1 . . . . 30 LEU CD1 . 6865 1 310 . 1 1 30 30 LEU CD2 C 13 21.090 0.200 . 1 . . . . 30 LEU CD2 . 6865 1 311 . 1 1 30 30 LEU N N 15 122.810 0.200 . 1 . . . . 30 LEU N . 6865 1 312 . 1 1 31 31 HIS H H 1 6.957 0.020 . 1 . . . . 31 HIS H . 6865 1 313 . 1 1 31 31 HIS HA H 1 4.599 0.020 . 1 . . . . 31 HIS HA . 6865 1 314 . 1 1 31 31 HIS HB2 H 1 3.248 0.020 . 2 . . . . 31 HIS HB2 . 6865 1 315 . 1 1 31 31 HIS HB3 H 1 3.028 0.020 . 2 . . . . 31 HIS HB3 . 6865 1 316 . 1 1 31 31 HIS HD2 H 1 7.009 0.020 . 1 . . . . 31 HIS HD2 . 6865 1 317 . 1 1 31 31 HIS HE1 H 1 8.331 0.020 . 1 . . . . 31 HIS HE1 . 6865 1 318 . 1 1 31 31 HIS CA C 13 53.027 0.200 . 1 . . . . 31 HIS CA . 6865 1 319 . 1 1 31 31 HIS CB C 13 29.991 0.200 . 1 . . . . 31 HIS CB . 6865 1 320 . 1 1 31 31 HIS CD2 C 13 119.981 0.200 . 1 . . . . 31 HIS CD2 . 6865 1 321 . 1 1 31 31 HIS CE1 C 13 136.032 0.200 . 1 . . . . 31 HIS CE1 . 6865 1 322 . 1 1 31 31 HIS N N 15 111.379 0.200 . 1 . . . . 31 HIS N . 6865 1 323 . 1 1 32 32 GLU H H 1 8.782 0.020 . 1 . . . . 32 GLU H . 6865 1 324 . 1 1 32 32 GLU HA H 1 4.026 0.020 . 1 . . . . 32 GLU HA . 6865 1 325 . 1 1 32 32 GLU HB2 H 1 1.939 0.020 . 1 . . . . 32 GLU HB2 . 6865 1 326 . 1 1 32 32 GLU HB3 H 1 1.939 0.020 . 1 . . . . 32 GLU HB3 . 6865 1 327 . 1 1 32 32 GLU HG2 H 1 2.222 0.020 . 1 . . . . 32 GLU HG2 . 6865 1 328 . 1 1 32 32 GLU HG3 H 1 2.222 0.020 . 1 . . . . 32 GLU HG3 . 6865 1 329 . 1 1 32 32 GLU CA C 13 56.706 0.200 . 1 . . . . 32 GLU CA . 6865 1 330 . 1 1 32 32 GLU CB C 13 28.391 0.200 . 1 . . . . 32 GLU CB . 6865 1 331 . 1 1 32 32 GLU CG C 13 34.690 0.200 . 1 . . . . 32 GLU CG . 6865 1 332 . 1 1 32 32 GLU N N 15 121.092 0.200 . 1 . . . . 32 GLU N . 6865 1 333 . 1 1 33 33 GLY H H 1 9.053 0.020 . 1 . . . . 33 GLY H . 6865 1 334 . 1 1 33 33 GLY HA2 H 1 4.269 0.020 . 2 . . . . 33 GLY HA2 . 6865 1 335 . 1 1 33 33 GLY HA3 H 1 3.640 0.020 . 2 . . . . 33 GLY HA3 . 6865 1 336 . 1 1 33 33 GLY CA C 13 43.951 0.200 . 1 . . . . 33 GLY CA . 6865 1 337 . 1 1 33 33 GLY N N 15 113.357 0.200 . 1 . . . . 33 GLY N . 6865 1 338 . 1 1 34 34 CYS N N 15 118.657 0.200 . 1 . . . . 34 CYSS N . 6865 1 339 . 1 1 34 34 CYS H H 1 7.254 0.020 . 1 . . . . 34 CYSS H . 6865 1 340 . 1 1 34 34 CYS CA C 13 54.069 0.200 . 1 . . . . 34 CYSS CA . 6865 1 341 . 1 1 34 34 CYS HA H 1 4.679 0.020 . 1 . . . . 34 CYSS HA . 6865 1 342 . 1 1 34 34 CYS CB C 13 39.680 0.200 . 1 . . . . 34 CYSS CB . 6865 1 343 . 1 1 34 34 CYS HB2 H 1 2.827 0.020 . 2 . . . . 34 CYSS HB2 . 6865 1 344 . 1 1 34 34 CYS HB3 H 1 2.724 0.020 . 2 . . . . 34 CYSS HB3 . 6865 1 345 . 1 1 35 35 THR H H 1 8.543 0.020 . 1 . . . . 35 THR H . 6865 1 346 . 1 1 35 35 THR HA H 1 4.286 0.020 . 1 . . . . 35 THR HA . 6865 1 347 . 1 1 35 35 THR HB H 1 4.322 0.020 . 1 . . . . 35 THR HB . 6865 1 348 . 1 1 35 35 THR HG21 H 1 1.393 0.020 . 1 . . . . 35 THR HG2 . 6865 1 349 . 1 1 35 35 THR HG22 H 1 1.393 0.020 . 1 . . . . 35 THR HG2 . 6865 1 350 . 1 1 35 35 THR HG23 H 1 1.393 0.020 . 1 . . . . 35 THR HG2 . 6865 1 351 . 1 1 35 35 THR CA C 13 61.015 0.200 . 1 . . . . 35 THR CA . 6865 1 352 . 1 1 35 35 THR CB C 13 68.696 0.200 . 1 . . . . 35 THR CB . 6865 1 353 . 1 1 35 35 THR CG2 C 13 22.050 0.200 . 1 . . . . 35 THR CG2 . 6865 1 354 . 1 1 35 35 THR N N 15 116.700 0.200 . 1 . . . . 35 THR N . 6865 1 355 . 1 1 36 36 SER H H 1 9.034 0.020 . 1 . . . . 36 SER H . 6865 1 356 . 1 1 36 36 SER HA H 1 4.307 0.020 . 1 . . . . 36 SER HA . 6865 1 357 . 1 1 36 36 SER HB2 H 1 4.258 0.020 . 2 . . . . 36 SER HB2 . 6865 1 358 . 1 1 36 36 SER HB3 H 1 3.615 0.020 . 2 . . . . 36 SER HB3 . 6865 1 359 . 1 1 36 36 SER CA C 13 57.365 0.200 . 1 . . . . 36 SER CA . 6865 1 360 . 1 1 36 36 SER CB C 13 64.128 0.200 . 1 . . . . 36 SER CB . 6865 1 361 . 1 1 36 36 SER N N 15 117.392 0.200 . 1 . . . . 36 SER N . 6865 1 362 . 1 1 37 37 GLU H H 1 7.554 0.020 . 1 . . . . 37 GLU H . 6865 1 363 . 1 1 37 37 GLU HA H 1 5.600 0.020 . 1 . . . . 37 GLU HA . 6865 1 364 . 1 1 37 37 GLU HB2 H 1 2.010 0.020 . 2 . . . . 37 GLU HB2 . 6865 1 365 . 1 1 37 37 GLU HB3 H 1 1.932 0.020 . 2 . . . . 37 GLU HB3 . 6865 1 366 . 1 1 37 37 GLU HG2 H 1 2.194 0.020 . 2 . . . . 37 GLU HG2 . 6865 1 367 . 1 1 37 37 GLU HG3 H 1 2.082 0.020 . 2 . . . . 37 GLU HG3 . 6865 1 368 . 1 1 37 37 GLU CA C 13 54.664 0.200 . 1 . . . . 37 GLU CA . 6865 1 369 . 1 1 37 37 GLU CB C 13 32.455 0.200 . 1 . . . . 37 GLU CB . 6865 1 370 . 1 1 37 37 GLU CG C 13 35.300 0.200 . 1 . . . . 37 GLU CG . 6865 1 371 . 1 1 37 37 GLU N N 15 120.780 0.200 . 1 . . . . 37 GLU N . 6865 1 372 . 1 1 38 38 ILE H H 1 8.444 0.020 . 1 . . . . 38 ILE H . 6865 1 373 . 1 1 38 38 ILE HA H 1 4.435 0.020 . 1 . . . . 38 ILE HA . 6865 1 374 . 1 1 38 38 ILE HB H 1 1.311 0.020 . 1 . . . . 38 ILE HB . 6865 1 375 . 1 1 38 38 ILE HG12 H 1 0.458 0.020 . 2 . . . . 38 ILE HG12 . 6865 1 376 . 1 1 38 38 ILE HG13 H 1 0.954 0.020 . 2 . . . . 38 ILE HG13 . 6865 1 377 . 1 1 38 38 ILE HG21 H 1 0.273 0.020 . 1 . . . . 38 ILE HG2 . 6865 1 378 . 1 1 38 38 ILE HG22 H 1 0.273 0.020 . 1 . . . . 38 ILE HG2 . 6865 1 379 . 1 1 38 38 ILE HG23 H 1 0.273 0.020 . 1 . . . . 38 ILE HG2 . 6865 1 380 . 1 1 38 38 ILE HD11 H 1 0.249 0.020 . 1 . . . . 38 ILE HD1 . 6865 1 381 . 1 1 38 38 ILE HD12 H 1 0.249 0.020 . 1 . . . . 38 ILE HD1 . 6865 1 382 . 1 1 38 38 ILE HD13 H 1 0.249 0.020 . 1 . . . . 38 ILE HD1 . 6865 1 383 . 1 1 38 38 ILE CA C 13 58.958 0.200 . 1 . . . . 38 ILE CA . 6865 1 384 . 1 1 38 38 ILE CB C 13 40.784 0.200 . 1 . . . . 38 ILE CB . 6865 1 385 . 1 1 38 38 ILE CG1 C 13 25.869 0.200 . 1 . . . . 38 ILE CG1 . 6865 1 386 . 1 1 38 38 ILE CG2 C 13 16.210 0.200 . 1 . . . . 38 ILE CG2 . 6865 1 387 . 1 1 38 38 ILE CD1 C 13 12.321 0.200 . 1 . . . . 38 ILE CD1 . 6865 1 388 . 1 1 38 38 ILE N N 15 122.548 0.200 . 1 . . . . 38 ILE N . 6865 1 389 . 1 1 39 39 GLN H H 1 8.279 0.020 . 1 . . . . 39 GLN H . 6865 1 390 . 1 1 39 39 GLN HA H 1 5.574 0.020 . 1 . . . . 39 GLN HA . 6865 1 391 . 1 1 39 39 GLN HB2 H 1 1.930 0.020 . 2 . . . . 39 GLN HB2 . 6865 1 392 . 1 1 39 39 GLN HB3 H 1 1.889 0.020 . 2 . . . . 39 GLN HB3 . 6865 1 393 . 1 1 39 39 GLN HG2 H 1 2.234 0.020 . 1 . . . . 39 GLN HG2 . 6865 1 394 . 1 1 39 39 GLN HG3 H 1 2.234 0.020 . 1 . . . . 39 GLN HG3 . 6865 1 395 . 1 1 39 39 GLN HE21 H 1 7.542 0.020 . 2 . . . . 39 GLN HE21 . 6865 1 396 . 1 1 39 39 GLN HE22 H 1 6.759 0.020 . 2 . . . . 39 GLN HE22 . 6865 1 397 . 1 1 39 39 GLN CA C 13 53.062 0.200 . 1 . . . . 39 GLN CA . 6865 1 398 . 1 1 39 39 GLN CB C 13 31.833 0.200 . 1 . . . . 39 GLN CB . 6865 1 399 . 1 1 39 39 GLN CG C 13 32.717 0.200 . 1 . . . . 39 GLN CG . 6865 1 400 . 1 1 39 39 GLN N N 15 121.821 0.200 . 1 . . . . 39 GLN N . 6865 1 401 . 1 1 39 39 GLN NE2 N 15 111.987 0.200 . 1 . . . . 39 GLN NE2 . 6865 1 402 . 1 1 40 40 GLU H H 1 8.904 0.020 . 1 . . . . 40 GLU H . 6865 1 403 . 1 1 40 40 GLU HA H 1 4.673 0.020 . 1 . . . . 40 GLU HA . 6865 1 404 . 1 1 40 40 GLU HB2 H 1 1.779 0.020 . 2 . . . . 40 GLU HB2 . 6865 1 405 . 1 1 40 40 GLU HB3 H 1 1.680 0.020 . 2 . . . . 40 GLU HB3 . 6865 1 406 . 1 1 40 40 GLU HG2 H 1 1.752 0.020 . 2 . . . . 40 GLU HG2 . 6865 1 407 . 1 1 40 40 GLU HG3 H 1 1.717 0.020 . 2 . . . . 40 GLU HG3 . 6865 1 408 . 1 1 40 40 GLU CA C 13 53.150 0.200 . 1 . . . . 40 GLU CA . 6865 1 409 . 1 1 40 40 GLU CB C 13 32.679 0.200 . 1 . . . . 40 GLU CB . 6865 1 410 . 1 1 40 40 GLU CG C 13 34.205 0.200 . 1 . . . . 40 GLU CG . 6865 1 411 . 1 1 40 40 GLU N N 15 120.021 0.200 . 1 . . . . 40 GLU N . 6865 1 412 . 1 1 41 41 GLN H H 1 8.431 0.020 . 1 . . . . 41 GLN H . 6865 1 413 . 1 1 41 41 GLN HA H 1 4.667 0.020 . 1 . . . . 41 GLN HA . 6865 1 414 . 1 1 41 41 GLN HB2 H 1 1.950 0.020 . 1 . . . . 41 GLN HB2 . 6865 1 415 . 1 1 41 41 GLN HB3 H 1 1.950 0.020 . 1 . . . . 41 GLN HB3 . 6865 1 416 . 1 1 41 41 GLN HG2 H 1 2.367 0.020 . 2 . . . . 41 GLN HG2 . 6865 1 417 . 1 1 41 41 GLN HG3 H 1 2.220 0.020 . 2 . . . . 41 GLN HG3 . 6865 1 418 . 1 1 41 41 GLN HE21 H 1 7.629 0.020 . 2 . . . . 41 GLN HE21 . 6865 1 419 . 1 1 41 41 GLN HE22 H 1 6.895 0.020 . 2 . . . . 41 GLN HE22 . 6865 1 420 . 1 1 41 41 GLN CA C 13 54.886 0.200 . 1 . . . . 41 GLN CA . 6865 1 421 . 1 1 41 41 GLN CB C 13 28.826 0.200 . 1 . . . . 41 GLN CB . 6865 1 422 . 1 1 41 41 GLN CG C 13 33.340 0.200 . 1 . . . . 41 GLN CG . 6865 1 423 . 1 1 41 41 GLN N N 15 119.572 0.200 . 1 . . . . 41 GLN N . 6865 1 424 . 1 1 41 41 GLN NE2 N 15 112.859 0.200 . 1 . . . . 41 GLN NE2 . 6865 1 425 . 1 1 42 42 CYS N N 15 119.057 0.200 . 1 . . . . 42 CYSS N . 6865 1 426 . 1 1 42 42 CYS H H 1 8.329 0.020 . 1 . . . . 42 CYSS H . 6865 1 427 . 1 1 42 42 CYS CA C 13 52.209 0.200 . 1 . . . . 42 CYSS CA . 6865 1 428 . 1 1 42 42 CYS HA H 1 4.663 0.020 . 1 . . . . 42 CYSS HA . 6865 1 429 . 1 1 42 42 CYS CB C 13 44.964 0.200 . 1 . . . . 42 CYSS CB . 6865 1 430 . 1 1 42 42 CYS HB2 H 1 3.147 0.020 . 2 . . . . 42 CYSS HB2 . 6865 1 431 . 1 1 42 42 CYS HB3 H 1 2.713 0.020 . 2 . . . . 42 CYSS HB3 . 6865 1 432 . 1 1 43 43 GLU H H 1 8.610 0.020 . 1 . . . . 43 GLU H . 6865 1 433 . 1 1 43 43 GLU HA H 1 4.701 0.020 . 1 . . . . 43 GLU HA . 6865 1 434 . 1 1 43 43 GLU HB2 H 1 1.699 0.020 . 2 . . . . 43 GLU HB2 . 6865 1 435 . 1 1 43 43 GLU HB3 H 1 1.668 0.020 . 2 . . . . 43 GLU HB3 . 6865 1 436 . 1 1 43 43 GLU HG2 H 1 1.918 0.020 . 2 . . . . 43 GLU HG2 . 6865 1 437 . 1 1 43 43 GLU HG3 H 1 1.816 0.020 . 2 . . . . 43 GLU HG3 . 6865 1 438 . 1 1 43 43 GLU CA C 13 54.435 0.200 . 1 . . . . 43 GLU CA . 6865 1 439 . 1 1 43 43 GLU CB C 13 31.026 0.200 . 1 . . . . 43 GLU CB . 6865 1 440 . 1 1 43 43 GLU CG C 13 34.867 0.200 . 1 . . . . 43 GLU CG . 6865 1 441 . 1 1 43 43 GLU N N 15 121.373 0.200 . 1 . . . . 43 GLU N . 6865 1 442 . 1 1 44 44 GLU H H 1 8.938 0.020 . 1 . . . . 44 GLU H . 6865 1 443 . 1 1 44 44 GLU HA H 1 4.380 0.020 . 1 . . . . 44 GLU HA . 6865 1 444 . 1 1 44 44 GLU HB2 H 1 2.090 0.020 . 2 . . . . 44 GLU HB2 . 6865 1 445 . 1 1 44 44 GLU HB3 H 1 1.367 0.020 . 2 . . . . 44 GLU HB3 . 6865 1 446 . 1 1 44 44 GLU HG2 H 1 2.222 0.020 . 2 . . . . 44 GLU HG2 . 6865 1 447 . 1 1 44 44 GLU HG3 H 1 1.968 0.020 . 2 . . . . 44 GLU HG3 . 6865 1 448 . 1 1 44 44 GLU CA C 13 53.815 0.200 . 1 . . . . 44 GLU CA . 6865 1 449 . 1 1 44 44 GLU CB C 13 30.489 0.200 . 1 . . . . 44 GLU CB . 6865 1 450 . 1 1 44 44 GLU CG C 13 34.517 0.200 . 1 . . . . 44 GLU CG . 6865 1 451 . 1 1 44 44 GLU N N 15 127.128 0.200 . 1 . . . . 44 GLU N . 6865 1 452 . 1 1 45 45 GLU H H 1 8.288 0.020 . 1 . . . . 45 GLU H . 6865 1 453 . 1 1 45 45 GLU HA H 1 4.240 0.020 . 1 . . . . 45 GLU HA . 6865 1 454 . 1 1 45 45 GLU HB2 H 1 2.046 0.020 . 2 . . . . 45 GLU HB2 . 6865 1 455 . 1 1 45 45 GLU HB3 H 1 1.950 0.020 . 2 . . . . 45 GLU HB3 . 6865 1 456 . 1 1 45 45 GLU HG2 H 1 2.260 0.020 . 2 . . . . 45 GLU HG2 . 6865 1 457 . 1 1 45 45 GLU HG3 H 1 2.196 0.020 . 2 . . . . 45 GLU HG3 . 6865 1 458 . 1 1 45 45 GLU CA C 13 54.785 0.200 . 1 . . . . 45 GLU CA . 6865 1 459 . 1 1 45 45 GLU CB C 13 29.583 0.200 . 1 . . . . 45 GLU CB . 6865 1 460 . 1 1 45 45 GLU CG C 13 34.354 0.200 . 1 . . . . 45 GLU CG . 6865 1 461 . 1 1 45 45 GLU N N 15 118.668 0.200 . 1 . . . . 45 GLU N . 6865 1 462 . 1 1 46 46 ARG H H 1 8.550 0.020 . 1 . . . . 46 ARG H . 6865 1 463 . 1 1 46 46 ARG HA H 1 4.107 0.020 . 1 . . . . 46 ARG HA . 6865 1 464 . 1 1 46 46 ARG HB2 H 1 1.745 0.020 . 1 . . . . 46 ARG HB2 . 6865 1 465 . 1 1 46 46 ARG HB3 H 1 1.745 0.020 . 1 . . . . 46 ARG HB3 . 6865 1 466 . 1 1 46 46 ARG HG2 H 1 1.652 0.020 . 2 . . . . 46 ARG HG2 . 6865 1 467 . 1 1 46 46 ARG HG3 H 1 1.601 0.020 . 2 . . . . 46 ARG HG3 . 6865 1 468 . 1 1 46 46 ARG HD2 H 1 3.113 0.020 . 1 . . . . 46 ARG HD2 . 6865 1 469 . 1 1 46 46 ARG HD3 H 1 3.113 0.020 . 1 . . . . 46 ARG HD3 . 6865 1 470 . 1 1 46 46 ARG HE H 1 7.144 0.020 . 1 . . . . 46 ARG HE . 6865 1 471 . 1 1 46 46 ARG CA C 13 55.527 0.200 . 1 . . . . 46 ARG CA . 6865 1 472 . 1 1 46 46 ARG CB C 13 28.904 0.200 . 1 . . . . 46 ARG CB . 6865 1 473 . 1 1 46 46 ARG CG C 13 25.790 0.200 . 1 . . . . 46 ARG CG . 6865 1 474 . 1 1 46 46 ARG CD C 13 42.431 0.200 . 1 . . . . 46 ARG CD . 6865 1 475 . 1 1 46 46 ARG N N 15 122.284 0.200 . 1 . . . . 46 ARG N . 6865 1 476 . 1 1 46 46 ARG NE N 15 111.769 0.200 . 1 . . . . 46 ARG NE . 6865 1 477 . 1 1 47 47 CYS N N 15 122.617 0.200 . 1 . . . . 47 CYSS N . 6865 1 478 . 1 1 47 47 CYS H H 1 8.855 0.020 . 1 . . . . 47 CYSS H . 6865 1 479 . 1 1 47 47 CYS CA C 13 52.195 0.200 . 1 . . . . 47 CYSS CA . 6865 1 480 . 1 1 47 47 CYS HA H 1 4.703 0.020 . 1 . . . . 47 CYSS HA . 6865 1 481 . 1 1 47 47 CYS CB C 13 39.000 0.200 . 1 . . . . 47 CYSS CB . 6865 1 482 . 1 1 47 47 CYS HB2 H 1 3.167 0.020 . 2 . . . . 47 CYSS HB2 . 6865 1 483 . 1 1 47 47 CYS HB3 H 1 2.623 0.020 . 2 . . . . 47 CYSS HB3 . 6865 1 484 . 1 1 48 48 PRO HA H 1 4.612 0.020 . 1 . . . . 48 PRO HA . 6865 1 485 . 1 1 48 48 PRO HB2 H 1 2.257 0.020 . 2 . . . . 48 PRO HB2 . 6865 1 486 . 1 1 48 48 PRO HB3 H 1 1.888 0.020 . 2 . . . . 48 PRO HB3 . 6865 1 487 . 1 1 48 48 PRO HG2 H 1 1.970 0.020 . 1 . . . . 48 PRO HG2 . 6865 1 488 . 1 1 48 48 PRO HG3 H 1 1.970 0.020 . 1 . . . . 48 PRO HG3 . 6865 1 489 . 1 1 48 48 PRO HD2 H 1 3.808 0.020 . 2 . . . . 48 PRO HD2 . 6865 1 490 . 1 1 48 48 PRO HD3 H 1 3.622 0.020 . 2 . . . . 48 PRO HD3 . 6865 1 491 . 1 1 48 48 PRO CA C 13 60.405 0.200 . 1 . . . . 48 PRO CA . 6865 1 492 . 1 1 48 48 PRO CB C 13 29.424 0.200 . 1 . . . . 48 PRO CB . 6865 1 493 . 1 1 48 48 PRO CG C 13 26.245 0.200 . 1 . . . . 48 PRO CG . 6865 1 494 . 1 1 48 48 PRO CD C 13 49.212 0.200 . 1 . . . . 48 PRO CD . 6865 1 495 . 1 1 49 49 PRO HA H 1 4.116 0.020 . 1 . . . . 49 PRO HA . 6865 1 496 . 1 1 49 49 PRO HB2 H 1 2.116 0.020 . 2 . . . . 49 PRO HB2 . 6865 1 497 . 1 1 49 49 PRO HB3 H 1 1.805 0.020 . 2 . . . . 49 PRO HB3 . 6865 1 498 . 1 1 49 49 PRO HG2 H 1 1.894 0.020 . 1 . . . . 49 PRO HG2 . 6865 1 499 . 1 1 49 49 PRO HG3 H 1 1.894 0.020 . 1 . . . . 49 PRO HG3 . 6865 1 500 . 1 1 49 49 PRO HD2 H 1 3.659 0.020 . 2 . . . . 49 PRO HD2 . 6865 1 501 . 1 1 49 49 PRO HD3 H 1 3.540 0.020 . 2 . . . . 49 PRO HD3 . 6865 1 502 . 1 1 49 49 PRO CA C 13 63.435 0.200 . 1 . . . . 49 PRO CA . 6865 1 503 . 1 1 49 49 PRO CB C 13 30.824 0.200 . 1 . . . . 49 PRO CB . 6865 1 504 . 1 1 49 49 PRO CG C 13 26.104 0.200 . 1 . . . . 49 PRO CG . 6865 1 505 . 1 1 49 49 PRO CD C 13 48.977 0.200 . 1 . . . . 49 PRO CD . 6865 1 stop_ save_