################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25269 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 25269 1 2 '2D 1H-13C HSQC' . . . 25269 1 3 '2D 1H-13C HMBC' . . . 25269 1 4 '2D 1H-1H TOCSY' . . . 25269 1 5 '2D 1H-15N-HSQC-TOCSY' . . . 25269 1 6 '2D 1H-13C-HSQC-TOCSY' . . . 25269 1 7 '2D 1H-13C-H2BC' . . . 25269 1 8 '2D 1H-1H NOESY' . . . 25269 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 LYS HA H 1 4.117 0.03 . 1 . . . . . 1 LYS HA . 25269 1 2 . 1 . 1 1 1 LYS HB2 H 1 1.692 0.03 . 2 . . . . . 1 LYS HB2 . 25269 1 3 . 1 . 1 1 1 LYS HB3 H 1 1.692 0.03 . 2 . . . . . 1 LYS HB3 . 25269 1 4 . 1 . 1 1 1 LYS HG2 H 1 1.346 0.03 . 2 . . . . . 1 LYS HG2 . 25269 1 5 . 1 . 1 1 1 LYS HG3 H 1 1.346 0.03 . 2 . . . . . 1 LYS HG3 . 25269 1 6 . 1 . 1 1 1 LYS HD2 H 1 1.445 0.03 . 2 . . . . . 1 LYS HD2 . 25269 1 7 . 1 . 1 1 1 LYS HD3 H 1 1.409 0.03 . 2 . . . . . 1 LYS HD3 . 25269 1 8 . 1 . 1 1 1 LYS HE2 H 1 3.109 0.03 . 2 . . . . . 1 LYS HE2 . 25269 1 9 . 1 . 1 1 1 LYS HE3 H 1 3.109 0.03 . 2 . . . . . 1 LYS HE3 . 25269 1 10 . 1 . 1 1 1 LYS CA C 13 51.525 0.03 . 1 . . . . . 1 LYS CA . 25269 1 11 . 1 . 1 1 1 LYS CB C 13 29.138 0.03 . 1 . . . . . 1 LYS CB . 25269 1 12 . 1 . 1 1 1 LYS CG C 13 20.889 0.03 . 1 . . . . . 1 LYS CG . 25269 1 13 . 1 . 1 1 1 LYS CD C 13 25.949 0.03 . 1 . . . . . 1 LYS CD . 25269 1 14 . 1 . 1 1 1 LYS CE C 13 40.674 0.03 . 1 . . . . . 1 LYS CE . 25269 1 15 . 1 . 1 2 2 PRO HA H 1 4.135 0.03 . 1 . . . . . 2 PRO HA . 25269 1 16 . 1 . 1 2 2 PRO HB2 H 1 1.245 0.03 . 2 . . . . . 2 PRO HB2 . 25269 1 17 . 1 . 1 2 2 PRO HB3 H 1 1.945 0.03 . 2 . . . . . 2 PRO HB3 . 25269 1 18 . 1 . 1 2 2 PRO HG2 H 1 1.695 0.03 . 2 . . . . . 2 PRO HG2 . 25269 1 19 . 1 . 1 2 2 PRO HG3 H 1 1.788 0.03 . 2 . . . . . 2 PRO HG3 . 25269 1 20 . 1 . 1 2 2 PRO HD2 H 1 3.589 0.03 . 2 . . . . . 2 PRO HD2 . 25269 1 21 . 1 . 1 2 2 PRO HD3 H 1 3.322 0.03 . 2 . . . . . 2 PRO HD3 . 25269 1 22 . 1 . 1 2 2 PRO CA C 13 60.105 0.03 . 1 . . . . . 2 PRO CA . 25269 1 23 . 1 . 1 2 2 PRO CB C 13 29.053 0.03 . 1 . . . . . 2 PRO CB . 25269 1 24 . 1 . 1 2 2 PRO CG C 13 24.668 0.03 . 1 . . . . . 2 PRO CG . 25269 1 25 . 1 . 1 2 2 PRO CD C 13 47.654 0.03 . 1 . . . . . 2 PRO CD . 25269 1 26 . 1 . 1 3 3 ALA H H 1 8.259 0.03 . 1 . . . . . 3 ALA H . 25269 1 27 . 1 . 1 3 3 ALA HA H 1 4.172 0.03 . 1 . . . . . 3 ALA HA . 25269 1 28 . 1 . 1 3 3 ALA HB1 H 1 1.392 0.03 . 1 . . . . . 3 ALA HB . 25269 1 29 . 1 . 1 3 3 ALA HB2 H 1 1.392 0.03 . 1 . . . . . 3 ALA HB . 25269 1 30 . 1 . 1 3 3 ALA HB3 H 1 1.392 0.03 . 1 . . . . . 3 ALA HB . 25269 1 31 . 1 . 1 3 3 ALA CA C 13 50.590 0.03 . 1 . . . . . 3 ALA CA . 25269 1 32 . 1 . 1 3 3 ALA CB C 13 15.910 0.03 . 1 . . . . . 3 ALA CB . 25269 1 33 . 1 . 1 3 3 ALA N N 15 124.626 0.03 . 1 . . . . . 3 ALA N . 25269 1 34 . 1 . 1 4 4 TRP H H 1 7.581 0.03 . 1 . . . . . 4 TRP H . 25269 1 35 . 1 . 1 4 4 TRP HA H 1 4.269 0.03 . 1 . . . . . 4 TRP HA . 25269 1 36 . 1 . 1 4 4 TRP HB2 H 1 3.185 0.03 . 2 . . . . . 4 TRP HB2 . 25269 1 37 . 1 . 1 4 4 TRP HB3 H 1 3.288 0.03 . 2 . . . . . 4 TRP HB3 . 25269 1 38 . 1 . 1 4 4 TRP HD1 H 1 7.231 0.03 . 1 . . . . . 4 TRP HD1 . 25269 1 39 . 1 . 1 4 4 TRP HE1 H 1 10.026 0.03 . 1 . . . . . 4 TRP HE1 . 25269 1 40 . 1 . 1 4 4 TRP HE3 H 1 7.390 0.03 . 1 . . . . . 4 TRP HE3 . 25269 1 41 . 1 . 1 4 4 TRP HZ2 H 1 7.333 0.03 . 1 . . . . . 4 TRP HZ2 . 25269 1 42 . 1 . 1 4 4 TRP HZ3 H 1 6.941 0.03 . 1 . . . . . 4 TRP HZ3 . 25269 1 43 . 1 . 1 4 4 TRP HH2 H 1 7.000 0.03 . 1 . . . . . 4 TRP HH2 . 25269 1 44 . 1 . 1 4 4 TRP CA C 13 59.094 0.03 . 1 . . . . . 4 TRP CA . 25269 1 45 . 1 . 1 4 4 TRP CB C 13 26.242 0.03 . 1 . . . . . 4 TRP CB . 25269 1 46 . 1 . 1 4 4 TRP CD1 C 13 124.587 0.03 . 1 . . . . . 4 TRP CD1 . 25269 1 47 . 1 . 1 4 4 TRP CE3 C 13 117.913 0.03 . 1 . . . . . 4 TRP CE3 . 25269 1 48 . 1 . 1 4 4 TRP CZ2 C 13 111.721 0.03 . 1 . . . . . 4 TRP CZ2 . 25269 1 49 . 1 . 1 4 4 TRP CZ3 C 13 119.032 0.03 . 1 . . . . . 4 TRP CZ3 . 25269 1 50 . 1 . 1 4 4 TRP CH2 C 13 121.495 0.03 . 1 . . . . . 4 TRP CH2 . 25269 1 51 . 1 . 1 4 4 TRP N N 15 117.335 0.03 . 1 . . . . . 4 TRP N . 25269 1 52 . 1 . 1 4 4 TRP NE1 N 15 129.658 0.03 . 1 . . . . . 4 TRP NE1 . 25269 1 53 . 1 . 1 5 5 CYS H H 1 7.880 0.03 . 1 . . . . . 5 CYS H . 25269 1 54 . 1 . 1 5 5 CYS HA H 1 4.204 0.03 . 1 . . . . . 5 CYS HA . 25269 1 55 . 1 . 1 5 5 CYS HB2 H 1 2.636 0.03 . 2 . . . . . 5 CYS HB2 . 25269 1 56 . 1 . 1 5 5 CYS HB3 H 1 2.397 0.03 . 2 . . . . . 5 CYS HB3 . 25269 1 57 . 1 . 1 5 5 CYS CA C 13 55.113 0.03 . 1 . . . . . 5 CYS CA . 25269 1 58 . 1 . 1 5 5 CYS CB C 13 36.372 0.03 . 1 . . . . . 5 CYS CB . 25269 1 59 . 1 . 1 5 5 CYS N N 15 117.878 0.03 . 1 . . . . . 5 CYS N . 25269 1 60 . 1 . 1 6 6 TRP H H 1 7.514 0.03 . 1 . . . . . 6 TRP H . 25269 1 61 . 1 . 1 6 6 TRP HA H 1 4.379 0.03 . 1 . . . . . 6 TRP HA . 25269 1 62 . 1 . 1 6 6 TRP HB2 H 1 3.143 0.03 . 2 . . . . . 6 TRP HB2 . 25269 1 63 . 1 . 1 6 6 TRP HB3 H 1 3.228 0.03 . 2 . . . . . 6 TRP HB3 . 25269 1 64 . 1 . 1 6 6 TRP HD1 H 1 7.043 0.03 . 1 . . . . . 6 TRP HD1 . 25269 1 65 . 1 . 1 6 6 TRP HE1 H 1 9.861 0.03 . 1 . . . . . 6 TRP HE1 . 25269 1 66 . 1 . 1 6 6 TRP HE3 H 1 7.402 0.03 . 1 . . . . . 6 TRP HE3 . 25269 1 67 . 1 . 1 6 6 TRP HZ2 H 1 7.370 0.03 . 1 . . . . . 6 TRP HZ2 . 25269 1 68 . 1 . 1 6 6 TRP HZ3 H 1 6.962 0.03 . 1 . . . . . 6 TRP HZ3 . 25269 1 69 . 1 . 1 6 6 TRP HH2 H 1 7.117 0.03 . 1 . . . . . 6 TRP HH2 . 25269 1 70 . 1 . 1 6 6 TRP CA C 13 57.046 0.03 . 1 . . . . . 6 TRP CA . 25269 1 71 . 1 . 1 6 6 TRP CB C 13 26.548 0.03 . 1 . . . . . 6 TRP CB . 25269 1 72 . 1 . 1 6 6 TRP CD1 C 13 124.136 0.03 . 1 . . . . . 6 TRP CD1 . 25269 1 73 . 1 . 1 6 6 TRP CE3 C 13 117.841 0.03 . 1 . . . . . 6 TRP CE3 . 25269 1 74 . 1 . 1 6 6 TRP CZ2 C 13 111.630 0.03 . 1 . . . . . 6 TRP CZ2 . 25269 1 75 . 1 . 1 6 6 TRP CZ3 C 13 119.102 0.03 . 1 . . . . . 6 TRP CZ3 . 25269 1 76 . 1 . 1 6 6 TRP CH2 C 13 121.578 0.03 . 1 . . . . . 6 TRP CH2 . 25269 1 77 . 1 . 1 6 6 TRP N N 15 120.116 0.03 . 1 . . . . . 6 TRP N . 25269 1 78 . 1 . 1 6 6 TRP NE1 N 15 128.315 0.03 . 1 . . . . . 6 TRP NE1 . 25269 1 79 . 1 . 1 7 7 TYR H H 1 7.758 0.03 . 1 . . . . . 7 TYR H . 25269 1 80 . 1 . 1 7 7 TYR HA H 1 4.206 0.03 . 1 . . . . . 7 TYR HA . 25269 1 81 . 1 . 1 7 7 TYR HB2 H 1 2.915 0.03 . 2 . . . . . 7 TYR HB2 . 25269 1 82 . 1 . 1 7 7 TYR HB3 H 1 3.033 0.03 . 2 . . . . . 7 TYR HB3 . 25269 1 83 . 1 . 1 7 7 TYR HD1 H 1 7.023 0.03 . 3 . . . . . 7 TYR HD1 . 25269 1 84 . 1 . 1 7 7 TYR HD2 H 1 7.023 0.03 . 3 . . . . . 7 TYR HD2 . 25269 1 85 . 1 . 1 7 7 TYR HE1 H 1 6.751 0.03 . 3 . . . . . 7 TYR HE1 . 25269 1 86 . 1 . 1 7 7 TYR HE2 H 1 6.751 0.03 . 3 . . . . . 7 TYR HE2 . 25269 1 87 . 1 . 1 7 7 TYR CA C 13 57.356 0.03 . 1 . . . . . 7 TYR CA . 25269 1 88 . 1 . 1 7 7 TYR CB C 13 35.592 0.03 . 1 . . . . . 7 TYR CB . 25269 1 89 . 1 . 1 7 7 TYR CD1 C 13 130.274 0.03 . 3 . . . . . 7 TYR CD1 . 25269 1 90 . 1 . 1 7 7 TYR CD2 C 13 130.274 0.03 . 3 . . . . . 7 TYR CD2 . 25269 1 91 . 1 . 1 7 7 TYR CE1 C 13 115.325 0.03 . 3 . . . . . 7 TYR CE1 . 25269 1 92 . 1 . 1 7 7 TYR CE2 C 13 115.325 0.03 . 3 . . . . . 7 TYR CE2 . 25269 1 93 . 1 . 1 7 7 TYR N N 15 117.617 0.03 . 1 . . . . . 7 TYR N . 25269 1 94 . 1 . 1 8 8 THR H H 1 7.843 0.03 . 1 . . . . . 8 THR H . 25269 1 95 . 1 . 1 8 8 THR HA H 1 3.807 0.03 . 1 . . . . . 8 THR HA . 25269 1 96 . 1 . 1 8 8 THR HB H 1 4.080 0.03 . 1 . . . . . 8 THR HB . 25269 1 97 . 1 . 1 8 8 THR HG21 H 1 1.144 0.03 . 1 . . . . . 8 THR HG2 . 25269 1 98 . 1 . 1 8 8 THR HG22 H 1 1.144 0.03 . 1 . . . . . 8 THR HG2 . 25269 1 99 . 1 . 1 8 8 THR HG23 H 1 1.144 0.03 . 1 . . . . . 8 THR HG2 . 25269 1 100 . 1 . 1 8 8 THR CA C 13 63.506 0.03 . 1 . . . . . 8 THR CA . 25269 1 101 . 1 . 1 8 8 THR CB C 13 65.965 0.03 . 1 . . . . . 8 THR CB . 25269 1 102 . 1 . 1 8 8 THR CG2 C 13 19.514 0.03 . 1 . . . . . 8 THR CG2 . 25269 1 103 . 1 . 1 8 8 THR N N 15 114.013 0.03 . 1 . . . . . 8 THR N . 25269 1 104 . 1 . 1 9 9 LEU H H 1 7.750 0.03 . 1 . . . . . 9 LEU H . 25269 1 105 . 1 . 1 9 9 LEU HA H 1 3.940 0.03 . 1 . . . . . 9 LEU HA . 25269 1 106 . 1 . 1 9 9 LEU HB2 H 1 1.716 0.03 . 2 . . . . . 9 LEU HB2 . 25269 1 107 . 1 . 1 9 9 LEU HB3 H 1 1.658 0.03 . 2 . . . . . 9 LEU HB3 . 25269 1 108 . 1 . 1 9 9 LEU HG H 1 1.602 0.03 . 1 . . . . . 9 LEU HG . 25269 1 109 . 1 . 1 9 9 LEU HD11 H 1 0.765 0.03 . 2 . . . . . 9 LEU HD1 . 25269 1 110 . 1 . 1 9 9 LEU HD12 H 1 0.765 0.03 . 2 . . . . . 9 LEU HD1 . 25269 1 111 . 1 . 1 9 9 LEU HD13 H 1 0.765 0.03 . 2 . . . . . 9 LEU HD1 . 25269 1 112 . 1 . 1 9 9 LEU HD21 H 1 0.792 0.03 . 2 . . . . . 9 LEU HD2 . 25269 1 113 . 1 . 1 9 9 LEU HD22 H 1 0.792 0.03 . 2 . . . . . 9 LEU HD2 . 25269 1 114 . 1 . 1 9 9 LEU HD23 H 1 0.792 0.03 . 2 . . . . . 9 LEU HD2 . 25269 1 115 . 1 . 1 9 9 LEU CA C 13 55.391 0.03 . 1 . . . . . 9 LEU CA . 25269 1 116 . 1 . 1 9 9 LEU CB C 13 38.675 0.03 . 1 . . . . . 9 LEU CB . 25269 1 117 . 1 . 1 9 9 LEU CG C 13 24.333 0.03 . 1 . . . . . 9 LEU CG . 25269 1 118 . 1 . 1 9 9 LEU CD1 C 13 21.832 0.03 . 2 . . . . . 9 LEU CD1 . 25269 1 119 . 1 . 1 9 9 LEU CD2 C 13 21.509 0.03 . 2 . . . . . 9 LEU CD2 . 25269 1 120 . 1 . 1 9 9 LEU N N 15 121.631 0.03 . 1 . . . . . 9 LEU N . 25269 1 121 . 1 . 1 10 10 ALA H H 1 7.592 0.03 . 1 . . . . . 10 ALA H . 25269 1 122 . 1 . 1 10 10 ALA HA H 1 4.005 0.03 . 1 . . . . . 10 ALA HA . 25269 1 123 . 1 . 1 10 10 ALA HB1 H 1 1.290 0.03 . 1 . . . . . 10 ALA HB . 25269 1 124 . 1 . 1 10 10 ALA HB2 H 1 1.290 0.03 . 1 . . . . . 10 ALA HB . 25269 1 125 . 1 . 1 10 10 ALA HB3 H 1 1.290 0.03 . 1 . . . . . 10 ALA HB . 25269 1 126 . 1 . 1 10 10 ALA CA C 13 51.634 0.03 . 1 . . . . . 10 ALA CA . 25269 1 127 . 1 . 1 10 10 ALA CB C 13 15.558 0.03 . 1 . . . . . 10 ALA CB . 25269 1 128 . 1 . 1 10 10 ALA N N 15 120.229 0.03 . 1 . . . . . 10 ALA N . 25269 1 129 . 1 . 1 11 11 MET H H 1 7.788 0.03 . 1 . . . . . 11 MET H . 25269 1 130 . 1 . 1 11 11 MET HA H 1 3.800 0.03 . 1 . . . . . 11 MET HA . 25269 1 131 . 1 . 1 11 11 MET HB2 H 1 1.960 0.03 . 2 . . . . . 11 MET HB2 . 25269 1 132 . 1 . 1 11 11 MET HB3 H 1 1.918 0.03 . 2 . . . . . 11 MET HB3 . 25269 1 133 . 1 . 1 11 11 MET HG2 H 1 2.417 0.03 . 2 . . . . . 11 MET HG2 . 25269 1 134 . 1 . 1 11 11 MET HG3 H 1 2.337 0.03 . 2 . . . . . 11 MET HG3 . 25269 1 135 . 1 . 1 11 11 MET HE1 H 1 1.290 0.03 . 1 . . . . . 11 MET HE . 25269 1 136 . 1 . 1 11 11 MET HE2 H 1 1.290 0.03 . 1 . . . . . 11 MET HE . 25269 1 137 . 1 . 1 11 11 MET HE3 H 1 1.290 0.03 . 1 . . . . . 11 MET HE . 25269 1 138 . 1 . 1 11 11 MET CA C 13 55.416 0.03 . 1 . . . . . 11 MET CA . 25269 1 139 . 1 . 1 11 11 MET CB C 13 30.203 0.03 . 1 . . . . . 11 MET CB . 25269 1 140 . 1 . 1 11 11 MET CG C 13 29.531 0.03 . 1 . . . . . 11 MET CG . 25269 1 141 . 1 . 1 11 11 MET CE C 13 16.446 0.03 . 1 . . . . . 11 MET CE . 25269 1 142 . 1 . 1 11 11 MET N N 15 114.827 0.03 . 1 . . . . . 11 MET N . 25269 1 143 . 1 . 1 12 12 CYS H H 1 8.155 0.03 . 1 . . . . . 12 CYS H . 25269 1 144 . 1 . 1 12 12 CYS HA H 1 4.561 0.03 . 1 . . . . . 12 CYS HA . 25269 1 145 . 1 . 1 12 12 CYS HB2 H 1 3.072 0.03 . 2 . . . . . 12 CYS HB2 . 25269 1 146 . 1 . 1 12 12 CYS HB3 H 1 3.146 0.03 . 2 . . . . . 12 CYS HB3 . 25269 1 147 . 1 . 1 12 12 CYS CA C 13 55.551 0.03 . 1 . . . . . 12 CYS CA . 25269 1 148 . 1 . 1 12 12 CYS CB C 13 39.733 0.03 . 1 . . . . . 12 CYS CB . 25269 1 149 . 1 . 1 12 12 CYS N N 15 117.096 0.03 . 1 . . . . . 12 CYS N . 25269 1 150 . 1 . 1 13 13 GLY H H 1 8.112 0.03 . 1 . . . . . 13 GLY H . 25269 1 151 . 1 . 1 13 13 GLY HA2 H 1 3.890 0.03 . 2 . . . . . 13 GLY HA2 . 25269 1 152 . 1 . 1 13 13 GLY HA3 H 1 3.874 0.03 . 2 . . . . . 13 GLY HA3 . 25269 1 153 . 1 . 1 13 13 GLY CA C 13 43.469 0.03 . 1 . . . . . 13 GLY CA . 25269 1 154 . 1 . 1 13 13 GLY N N 15 108.467 0.03 . 1 . . . . . 13 GLY N . 25269 1 155 . 1 . 1 14 14 ALA H H 1 7.662 0.03 . 1 . . . . . 14 ALA H . 25269 1 156 . 1 . 1 14 14 ALA HA H 1 4.300 0.03 . 1 . . . . . 14 ALA HA . 25269 1 157 . 1 . 1 14 14 ALA HB1 H 1 1.368 0.03 . 1 . . . . . 14 ALA HB . 25269 1 158 . 1 . 1 14 14 ALA HB2 H 1 1.368 0.03 . 1 . . . . . 14 ALA HB . 25269 1 159 . 1 . 1 14 14 ALA HB3 H 1 1.368 0.03 . 1 . . . . . 14 ALA HB . 25269 1 160 . 1 . 1 14 14 ALA CA C 13 49.463 0.03 . 1 . . . . . 14 ALA CA . 25269 1 161 . 1 . 1 14 14 ALA CB C 13 16.347 0.03 . 1 . . . . . 14 ALA CB . 25269 1 162 . 1 . 1 14 14 ALA N N 15 121.448 0.03 . 1 . . . . . 14 ALA N . 25269 1 163 . 1 . 1 15 15 GLY H H 1 7.695 0.03 . 1 . . . . . 15 GLY H . 25269 1 164 . 1 . 1 15 15 GLY HA2 H 1 3.920 0.03 . 2 . . . . . 15 GLY HA2 . 25269 1 165 . 1 . 1 15 15 GLY HA3 H 1 3.701 0.03 . 2 . . . . . 15 GLY HA3 . 25269 1 166 . 1 . 1 15 15 GLY CA C 13 42.731 0.03 . 1 . . . . . 15 GLY CA . 25269 1 167 . 1 . 1 15 15 GLY N N 15 104.928 0.03 . 1 . . . . . 15 GLY N . 25269 1 168 . 1 . 1 16 16 TYR H H 1 7.604 0.03 . 1 . . . . . 16 TYR H . 25269 1 169 . 1 . 1 16 16 TYR HA H 1 4.465 0.03 . 1 . . . . . 16 TYR HA . 25269 1 170 . 1 . 1 16 16 TYR HB2 H 1 2.827 0.03 . 2 . . . . . 16 TYR HB2 . 25269 1 171 . 1 . 1 16 16 TYR HB3 H 1 2.937 0.03 . 2 . . . . . 16 TYR HB3 . 25269 1 172 . 1 . 1 16 16 TYR HD1 H 1 7.050 0.03 . 3 . . . . . 16 TYR HD1 . 25269 1 173 . 1 . 1 16 16 TYR HD2 H 1 7.050 0.03 . 3 . . . . . 16 TYR HD2 . 25269 1 174 . 1 . 1 16 16 TYR HE1 H 1 6.728 0.03 . 3 . . . . . 16 TYR HE1 . 25269 1 175 . 1 . 1 16 16 TYR HE2 H 1 6.716 0.03 . 3 . . . . . 16 TYR HE2 . 25269 1 176 . 1 . 1 16 16 TYR CA C 13 55.219 0.03 . 1 . . . . . 16 TYR CA . 25269 1 177 . 1 . 1 16 16 TYR CB C 13 36.059 0.03 . 1 . . . . . 16 TYR CB . 25269 1 178 . 1 . 1 16 16 TYR CD1 C 13 130.197 0.03 . 3 . . . . . 16 TYR CD1 . 25269 1 179 . 1 . 1 16 16 TYR CD2 C 13 130.197 0.03 . 3 . . . . . 16 TYR CD2 . 25269 1 180 . 1 . 1 16 16 TYR CE1 C 13 115.321 0.03 . 3 . . . . . 16 TYR CE1 . 25269 1 181 . 1 . 1 16 16 TYR CE2 C 13 115.321 0.03 . 3 . . . . . 16 TYR CE2 . 25269 1 182 . 1 . 1 16 16 TYR N N 15 118.658 0.03 . 1 . . . . . 16 TYR N . 25269 1 183 . 1 . 1 17 17 ASP H H 1 7.919 0.03 . 1 . . . . . 17 ASP H . 25269 1 184 . 1 . 1 17 17 ASP HA H 1 4.604 0.03 . 1 . . . . . 17 ASP HA . 25269 1 185 . 1 . 1 17 17 ASP HB2 H 1 2.672 0.03 . 2 . . . . . 17 ASP HB2 . 25269 1 186 . 1 . 1 17 17 ASP HB3 H 1 2.828 0.03 . 2 . . . . . 17 ASP HB3 . 25269 1 187 . 1 . 1 17 17 ASP CA C 13 50.298 0.03 . 1 . . . . . 17 ASP CA . 25269 1 188 . 1 . 1 17 17 ASP CB C 13 36.072 0.03 . 1 . . . . . 17 ASP CB . 25269 1 189 . 1 . 1 17 17 ASP N N 15 118.647 0.03 . 1 . . . . . 17 ASP N . 25269 1 190 . 1 . 1 18 18 SER H H 1 8.039 0.03 . 1 . . . . . 18 SER H . 25269 1 191 . 1 . 1 18 18 SER HA H 1 4.272 0.03 . 1 . . . . . 18 SER HA . 25269 1 192 . 1 . 1 18 18 SER HB2 H 1 4.006 0.03 . 2 . . . . . 18 SER HB2 . 25269 1 193 . 1 . 1 18 18 SER HB3 H 1 3.819 0.03 . 2 . . . . . 18 SER HB3 . 25269 1 194 . 1 . 1 18 18 SER CA C 13 55.383 0.03 . 1 . . . . . 18 SER CA . 25269 1 195 . 1 . 1 18 18 SER CB C 13 67.330 0.03 . 1 . . . . . 18 SER CB . 25269 1 196 . 1 . 1 18 18 SER N N 15 116.466 0.03 . 1 . . . . . 18 SER N . 25269 1 197 . 1 . 1 19 19 GLY H H 1 8.331 0.03 . 1 . . . . . 19 GLY H . 25269 1 198 . 1 . 1 19 19 GLY HA2 H 1 3.811 0.03 . 2 . . . . . 19 GLY HA2 . 25269 1 199 . 1 . 1 19 19 GLY HA3 H 1 3.979 0.03 . 2 . . . . . 19 GLY HA3 . 25269 1 200 . 1 . 1 19 19 GLY CA C 13 44.274 0.03 . 1 . . . . . 19 GLY CA . 25269 1 201 . 1 . 1 19 19 GLY N N 15 111.185 0.03 . 1 . . . . . 19 GLY N . 25269 1 202 . 1 . 1 20 20 THR H H 1 7.850 0.03 . 1 . . . . . 20 THR H . 25269 1 203 . 1 . 1 20 20 THR HA H 1 4.110 0.03 . 1 . . . . . 20 THR HA . 25269 1 204 . 1 . 1 20 20 THR HB H 1 4.121 0.03 . 1 . . . . . 20 THR HB . 25269 1 205 . 1 . 1 20 20 THR HG21 H 1 1.177 0.03 . 1 . . . . . 20 THR HG2 . 25269 1 206 . 1 . 1 20 20 THR HG22 H 1 1.177 0.03 . 1 . . . . . 20 THR HG2 . 25269 1 207 . 1 . 1 20 20 THR HG23 H 1 1.177 0.03 . 1 . . . . . 20 THR HG2 . 25269 1 208 . 1 . 1 20 20 THR CA C 13 62.430 0.03 . 1 . . . . . 20 THR CA . 25269 1 209 . 1 . 1 20 20 THR CB C 13 65.863 0.03 . 1 . . . . . 20 THR CB . 25269 1 210 . 1 . 1 20 20 THR CG2 C 13 19.514 0.03 . 1 . . . . . 20 THR CG2 . 25269 1 211 . 1 . 1 20 20 THR N N 15 116.439 0.03 . 1 . . . . . 20 THR N . 25269 1 212 . 1 . 1 21 21 CYS H H 1 8.037 0.03 . 1 . . . . . 21 CYS H . 25269 1 213 . 1 . 1 21 21 CYS HA H 1 4.273 0.03 . 1 . . . . . 21 CYS HA . 25269 1 214 . 1 . 1 21 21 CYS HB2 H 1 3.139 0.03 . 2 . . . . . 21 CYS HB2 . 25269 1 215 . 1 . 1 21 21 CYS HB3 H 1 2.948 0.03 . 2 . . . . . 21 CYS HB3 . 25269 1 216 . 1 . 1 21 21 CYS CA C 13 55.364 0.03 . 1 . . . . . 21 CYS CA . 25269 1 217 . 1 . 1 21 21 CYS CB C 13 38.016 0.03 . 1 . . . . . 21 CYS CB . 25269 1 218 . 1 . 1 21 21 CYS N N 15 119.701 0.03 . 1 . . . . . 21 CYS N . 25269 1 219 . 1 . 1 22 22 ASP H H 1 8.447 0.03 . 1 . . . . . 22 ASP H . 25269 1 220 . 1 . 1 22 22 ASP HA H 1 4.452 0.03 . 1 . . . . . 22 ASP HA . 25269 1 221 . 1 . 1 22 22 ASP HB2 H 1 2.931 0.03 . 2 . . . . . 22 ASP HB2 . 25269 1 222 . 1 . 1 22 22 ASP HB3 H 1 2.837 0.03 . 2 . . . . . 22 ASP HB3 . 25269 1 223 . 1 . 1 22 22 ASP CA C 13 53.927 0.03 . 1 . . . . . 22 ASP CA . 25269 1 224 . 1 . 1 22 22 ASP CB C 13 35.083 0.03 . 1 . . . . . 22 ASP CB . 25269 1 225 . 1 . 1 22 22 ASP N N 15 119.085 0.03 . 1 . . . . . 22 ASP N . 25269 1 226 . 1 . 1 23 23 TYR H H 1 8.037 0.03 . 1 . . . . . 23 TYR H . 25269 1 227 . 1 . 1 23 23 TYR HA H 1 4.125 0.03 . 1 . . . . . 23 TYR HA . 25269 1 228 . 1 . 1 23 23 TYR HB2 H 1 3.102 0.03 . 2 . . . . . 23 TYR HB2 . 25269 1 229 . 1 . 1 23 23 TYR HB3 H 1 3.048 0.03 . 2 . . . . . 23 TYR HB3 . 25269 1 230 . 1 . 1 23 23 TYR HD1 H 1 6.966 0.03 . 3 . . . . . 23 TYR HD1 . 25269 1 231 . 1 . 1 23 23 TYR HD2 H 1 6.966 0.03 . 3 . . . . . 23 TYR HD2 . 25269 1 232 . 1 . 1 23 23 TYR HE1 H 1 6.557 0.03 . 3 . . . . . 23 TYR HE1 . 25269 1 233 . 1 . 1 23 23 TYR HE2 H 1 6.557 0.03 . 3 . . . . . 23 TYR HE2 . 25269 1 234 . 1 . 1 23 23 TYR CA C 13 58.305 0.03 . 1 . . . . . 23 TYR CA . 25269 1 235 . 1 . 1 23 23 TYR CB C 13 35.723 0.03 . 1 . . . . . 23 TYR CB . 25269 1 236 . 1 . 1 23 23 TYR CD1 C 13 130.227 0.03 . 3 . . . . . 23 TYR CD1 . 25269 1 237 . 1 . 1 23 23 TYR CD2 C 13 130.227 0.03 . 3 . . . . . 23 TYR CD2 . 25269 1 238 . 1 . 1 23 23 TYR CE1 C 13 115.175 0.03 . 3 . . . . . 23 TYR CE1 . 25269 1 239 . 1 . 1 23 23 TYR CE2 C 13 115.175 0.03 . 3 . . . . . 23 TYR CE2 . 25269 1 240 . 1 . 1 23 23 TYR N N 15 121.546 0.03 . 1 . . . . . 23 TYR N . 25269 1 241 . 1 . 1 24 24 MET H H 1 8.459 0.03 . 1 . . . . . 24 MET H . 25269 1 242 . 1 . 1 24 24 MET HA H 1 4.123 0.03 . 1 . . . . . 24 MET HA . 25269 1 243 . 1 . 1 24 24 MET HB2 H 1 2.242 0.03 . 2 . . . . . 24 MET HB2 . 25269 1 244 . 1 . 1 24 24 MET HB3 H 1 2.183 0.03 . 2 . . . . . 24 MET HB3 . 25269 1 245 . 1 . 1 24 24 MET HG2 H 1 2.555 0.03 . 2 . . . . . 24 MET HG2 . 25269 1 246 . 1 . 1 24 24 MET HG3 H 1 2.686 0.03 . 2 . . . . . 24 MET HG3 . 25269 1 247 . 1 . 1 24 24 MET HE1 H 1 1.146 0.03 . 1 . . . . . 24 MET HE . 25269 1 248 . 1 . 1 24 24 MET HE2 H 1 1.146 0.03 . 1 . . . . . 24 MET HE . 25269 1 249 . 1 . 1 24 24 MET HE3 H 1 1.146 0.03 . 1 . . . . . 24 MET HE . 25269 1 250 . 1 . 1 24 24 MET CA C 13 56.163 0.03 . 1 . . . . . 24 MET CA . 25269 1 251 . 1 . 1 24 24 MET CB C 13 28.747 0.03 . 1 . . . . . 24 MET CB . 25269 1 252 . 1 . 1 24 24 MET CG C 13 29.261 0.03 . 1 . . . . . 24 MET CG . 25269 1 253 . 1 . 1 24 24 MET CE C 13 19.153 0.03 . 1 . . . . . 24 MET CE . 25269 1 254 . 1 . 1 24 24 MET N N 15 120.054 0.03 . 1 . . . . . 24 MET N . 25269 1 255 . 1 . 1 25 25 TYR H H 1 8.909 0.03 . 1 . . . . . 25 TYR H . 25269 1 256 . 1 . 1 25 25 TYR HA H 1 4.124 0.03 . 1 . . . . . 25 TYR HA . 25269 1 257 . 1 . 1 25 25 TYR HB2 H 1 3.101 0.03 . 2 . . . . . 25 TYR HB2 . 25269 1 258 . 1 . 1 25 25 TYR HB3 H 1 3.060 0.03 . 2 . . . . . 25 TYR HB3 . 25269 1 259 . 1 . 1 25 25 TYR HD1 H 1 6.961 0.03 . 3 . . . . . 25 TYR HD1 . 25269 1 260 . 1 . 1 25 25 TYR HD2 H 1 6.961 0.03 . 3 . . . . . 25 TYR HD2 . 25269 1 261 . 1 . 1 25 25 TYR HE1 H 1 6.493 0.03 . 3 . . . . . 25 TYR HE1 . 25269 1 262 . 1 . 1 25 25 TYR HE2 H 1 6.493 0.03 . 3 . . . . . 25 TYR HE2 . 25269 1 263 . 1 . 1 25 25 TYR CA C 13 59.645 0.03 . 1 . . . . . 25 TYR CA . 25269 1 264 . 1 . 1 25 25 TYR CB C 13 35.510 0.03 . 1 . . . . . 25 TYR CB . 25269 1 265 . 1 . 1 25 25 TYR CD1 C 13 129.415 0.03 . 3 . . . . . 25 TYR CD1 . 25269 1 266 . 1 . 1 25 25 TYR CD2 C 13 129.415 0.03 . 3 . . . . . 25 TYR CD2 . 25269 1 267 . 1 . 1 25 25 TYR CE1 C 13 115.018 0.03 . 3 . . . . . 25 TYR CE1 . 25269 1 268 . 1 . 1 25 25 TYR CE2 C 13 115.018 0.03 . 3 . . . . . 25 TYR CE2 . 25269 1 269 . 1 . 1 25 25 TYR N N 15 120.358 0.03 . 1 . . . . . 25 TYR N . 25269 1 270 . 1 . 1 26 26 SER H H 1 8.039 0.03 . 1 . . . . . 26 SER H . 25269 1 271 . 1 . 1 26 26 SER HA H 1 4.124 0.03 . 1 . . . . . 26 SER HA . 25269 1 272 . 1 . 1 26 26 SER HB2 H 1 3.806 0.03 . 2 . . . . . 26 SER HB2 . 25269 1 273 . 1 . 1 26 26 SER HB3 H 1 3.806 0.03 . 2 . . . . . 26 SER HB3 . 25269 1 274 . 1 . 1 26 26 SER CA C 13 58.949 0.03 . 1 . . . . . 26 SER CA . 25269 1 275 . 1 . 1 26 26 SER CB C 13 60.889 0.03 . 1 . . . . . 26 SER CB . 25269 1 276 . 1 . 1 26 26 SER N N 15 112.447 0.03 . 1 . . . . . 26 SER N . 25269 1 277 . 1 . 1 27 27 HIS H H 1 7.790 0.03 . 1 . . . . . 27 HIS H . 25269 1 278 . 1 . 1 27 27 HIS HA H 1 4.224 0.03 . 1 . . . . . 27 HIS HA . 25269 1 279 . 1 . 1 27 27 HIS HB2 H 1 2.729 0.03 . 2 . . . . . 27 HIS HB2 . 25269 1 280 . 1 . 1 27 27 HIS HB3 H 1 3.065 0.03 . 2 . . . . . 27 HIS HB3 . 25269 1 281 . 1 . 1 27 27 HIS HD2 H 1 6.962 0.03 . 1 . . . . . 27 HIS HD2 . 25269 1 282 . 1 . 1 27 27 HIS HE1 H 1 8.477 0.03 . 1 . . . . . 27 HIS HE1 . 25269 1 283 . 1 . 1 27 27 HIS CA C 13 55.406 0.03 . 1 . . . . . 27 HIS CA . 25269 1 284 . 1 . 1 27 27 HIS CB C 13 25.552 0.03 . 1 . . . . . 27 HIS CB . 25269 1 285 . 1 . 1 27 27 HIS CD2 C 13 116.832 0.03 . 1 . . . . . 27 HIS CD2 . 25269 1 286 . 1 . 1 27 27 HIS CE1 C 13 133.755 0.03 . 1 . . . . . 27 HIS CE1 . 25269 1 287 . 1 . 1 27 27 HIS N N 15 116.202 0.03 . 1 . . . . . 27 HIS N . 25269 1 288 . 1 . 1 28 28 CYS H H 1 8.096 0.03 . 1 . . . . . 28 CYS H . 25269 1 289 . 1 . 1 28 28 CYS HA H 1 4.225 0.03 . 1 . . . . . 28 CYS HA . 25269 1 290 . 1 . 1 28 28 CYS HB2 H 1 2.716 0.03 . 2 . . . . . 28 CYS HB2 . 25269 1 291 . 1 . 1 28 28 CYS HB3 H 1 1.843 0.03 . 2 . . . . . 28 CYS HB3 . 25269 1 292 . 1 . 1 28 28 CYS CA C 13 55.394 0.03 . 1 . . . . . 28 CYS CA . 25269 1 293 . 1 . 1 28 28 CYS CB C 13 39.479 0.03 . 1 . . . . . 28 CYS CB . 25269 1 294 . 1 . 1 28 28 CYS N N 15 115.699 0.03 . 1 . . . . . 28 CYS N . 25269 1 295 . 1 . 1 29 29 PHE H H 1 7.682 0.03 . 1 . . . . . 29 PHE H . 25269 1 296 . 1 . 1 29 29 PHE HA H 1 4.598 0.03 . 1 . . . . . 29 PHE HA . 25269 1 297 . 1 . 1 29 29 PHE HB2 H 1 3.139 0.03 . 2 . . . . . 29 PHE HB2 . 25269 1 298 . 1 . 1 29 29 PHE HB3 H 1 2.485 0.03 . 2 . . . . . 29 PHE HB3 . 25269 1 299 . 1 . 1 29 29 PHE HD1 H 1 6.968 0.03 . 3 . . . . . 29 PHE HD1 . 25269 1 300 . 1 . 1 29 29 PHE HD2 H 1 6.968 0.03 . 3 . . . . . 29 PHE HD2 . 25269 1 301 . 1 . 1 29 29 PHE HE1 H 1 7.021 0.03 . 3 . . . . . 29 PHE HE1 . 25269 1 302 . 1 . 1 29 29 PHE HE2 H 1 7.021 0.03 . 3 . . . . . 29 PHE HE2 . 25269 1 303 . 1 . 1 29 29 PHE HZ H 1 6.722 0.03 . 1 . . . . . 29 PHE HZ . 25269 1 304 . 1 . 1 29 29 PHE CA C 13 55.053 0.03 . 1 . . . . . 29 PHE CA . 25269 1 305 . 1 . 1 29 29 PHE CB C 13 37.470 0.03 . 1 . . . . . 29 PHE CB . 25269 1 306 . 1 . 1 29 29 PHE CD1 C 13 128.157 0.03 . 3 . . . . . 29 PHE CD1 . 25269 1 307 . 1 . 1 29 29 PHE CD2 C 13 128.157 0.03 . 3 . . . . . 29 PHE CD2 . 25269 1 308 . 1 . 1 29 29 PHE CE1 C 13 128.146 0.03 . 3 . . . . . 29 PHE CE1 . 25269 1 309 . 1 . 1 29 29 PHE CE2 C 13 128.146 0.03 . 3 . . . . . 29 PHE CE2 . 25269 1 310 . 1 . 1 29 29 PHE CZ C 13 126.531 0.03 . 1 . . . . . 29 PHE CZ . 25269 1 311 . 1 . 1 29 29 PHE N N 15 115.898 0.03 . 1 . . . . . 29 PHE N . 25269 1 312 . 1 . 1 30 30 GLY H H 1 7.577 0.03 . 1 . . . . . 30 GLY H . 25269 1 313 . 1 . 1 30 30 GLY HA2 H 1 3.861 0.03 . 2 . . . . . 30 GLY HA2 . 25269 1 314 . 1 . 1 30 30 GLY HA3 H 1 3.861 0.03 . 2 . . . . . 30 GLY HA3 . 25269 1 315 . 1 . 1 30 30 GLY CA C 13 42.894 0.03 . 1 . . . . . 30 GLY CA . 25269 1 316 . 1 . 1 30 30 GLY N N 15 107.941 0.03 . 1 . . . . . 30 GLY N . 25269 1 317 . 1 . 1 31 31 VAL H H 1 7.584 0.03 . 1 . . . . . 31 VAL H . 25269 1 318 . 1 . 1 31 31 VAL HA H 1 4.048 0.03 . 1 . . . . . 31 VAL HA . 25269 1 319 . 1 . 1 31 31 VAL HB H 1 1.926 0.03 . 1 . . . . . 31 VAL HB . 25269 1 320 . 1 . 1 31 31 VAL HG11 H 1 0.816 0.03 . 2 . . . . . 31 VAL HG1 . 25269 1 321 . 1 . 1 31 31 VAL HG12 H 1 0.816 0.03 . 2 . . . . . 31 VAL HG1 . 25269 1 322 . 1 . 1 31 31 VAL HG13 H 1 0.816 0.03 . 2 . . . . . 31 VAL HG1 . 25269 1 323 . 1 . 1 31 31 VAL HG21 H 1 0.784 0.03 . 2 . . . . . 31 VAL HG2 . 25269 1 324 . 1 . 1 31 31 VAL HG22 H 1 0.784 0.03 . 2 . . . . . 31 VAL HG2 . 25269 1 325 . 1 . 1 31 31 VAL HG23 H 1 0.784 0.03 . 2 . . . . . 31 VAL HG2 . 25269 1 326 . 1 . 1 31 31 VAL CA C 13 58.995 0.03 . 1 . . . . . 31 VAL CA . 25269 1 327 . 1 . 1 31 31 VAL CB C 13 30.343 0.03 . 1 . . . . . 31 VAL CB . 25269 1 328 . 1 . 1 31 31 VAL CG1 C 13 17.552 0.03 . 2 . . . . . 31 VAL CG1 . 25269 1 329 . 1 . 1 31 31 VAL CG2 C 13 18.298 0.03 . 2 . . . . . 31 VAL CG2 . 25269 1 330 . 1 . 1 31 31 VAL N N 15 115.625 0.03 . 1 . . . . . 31 VAL N . 25269 1 331 . 1 . 1 32 32 LYS H H 1 8.002 0.03 . 1 . . . . . 32 LYS H . 25269 1 332 . 1 . 1 32 32 LYS HA H 1 4.196 0.03 . 1 . . . . . 32 LYS HA . 25269 1 333 . 1 . 1 32 32 LYS HB2 H 1 1.598 0.03 . 2 . . . . . 32 LYS HB2 . 25269 1 334 . 1 . 1 32 32 LYS HB3 H 1 1.656 0.03 . 2 . . . . . 32 LYS HB3 . 25269 1 335 . 1 . 1 32 32 LYS HG2 H 1 1.252 0.03 . 2 . . . . . 32 LYS HG2 . 25269 1 336 . 1 . 1 32 32 LYS HG3 H 1 1.309 0.03 . 2 . . . . . 32 LYS HG3 . 25269 1 337 . 1 . 1 32 32 LYS HD2 H 1 1.535 0.03 . 2 . . . . . 32 LYS HD2 . 25269 1 338 . 1 . 1 32 32 LYS HD3 H 1 1.573 0.03 . 2 . . . . . 32 LYS HD3 . 25269 1 339 . 1 . 1 32 32 LYS HE2 H 1 2.821 0.03 . 2 . . . . . 32 LYS HE2 . 25269 1 340 . 1 . 1 32 32 LYS HE3 H 1 2.821 0.03 . 2 . . . . . 32 LYS HE3 . 25269 1 341 . 1 . 1 32 32 LYS CA C 13 53.280 0.03 . 1 . . . . . 32 LYS CA . 25269 1 342 . 1 . 1 32 32 LYS CB C 13 30.389 0.03 . 1 . . . . . 32 LYS CB . 25269 1 343 . 1 . 1 32 32 LYS CG C 13 21.956 0.03 . 1 . . . . . 32 LYS CG . 25269 1 344 . 1 . 1 32 32 LYS CD C 13 26.253 0.03 . 1 . . . . . 32 LYS CD . 25269 1 345 . 1 . 1 32 32 LYS CE C 13 39.318 0.03 . 1 . . . . . 32 LYS CE . 25269 1 346 . 1 . 1 32 32 LYS N N 15 123.707 0.03 . 1 . . . . . 32 LYS N . 25269 1 347 . 1 . 1 33 33 HIS H H 1 8.205 0.03 . 1 . . . . . 33 HIS H . 25269 1 348 . 1 . 1 33 33 HIS HA H 1 4.618 0.03 . 1 . . . . . 33 HIS HA . 25269 1 349 . 1 . 1 33 33 HIS HB2 H 1 2.994 0.03 . 2 . . . . . 33 HIS HB2 . 25269 1 350 . 1 . 1 33 33 HIS HB3 H 1 3.135 0.03 . 2 . . . . . 33 HIS HB3 . 25269 1 351 . 1 . 1 33 33 HIS HD2 H 1 7.180 0.03 . 1 . . . . . 33 HIS HD2 . 25269 1 352 . 1 . 1 33 33 HIS HE1 H 1 8.447 0.03 . 1 . . . . . 33 HIS HE1 . 25269 1 353 . 1 . 1 33 33 HIS CA C 13 52.353 0.03 . 1 . . . . . 33 HIS CA . 25269 1 354 . 1 . 1 33 33 HIS CB C 13 26.559 0.03 . 1 . . . . . 33 HIS CB . 25269 1 355 . 1 . 1 33 33 HIS CD2 C 13 117.505 0.03 . 1 . . . . . 33 HIS CD2 . 25269 1 356 . 1 . 1 33 33 HIS CE1 C 13 133.687 0.03 . 1 . . . . . 33 HIS CE1 . 25269 1 357 . 1 . 1 33 33 HIS N N 15 119.228 0.03 . 1 . . . . . 33 HIS N . 25269 1 358 . 1 . 1 34 34 SER H H 1 7.814 0.03 . 1 . . . . . 34 SER H . 25269 1 359 . 1 . 1 34 34 SER HA H 1 4.329 0.03 . 1 . . . . . 34 SER HA . 25269 1 360 . 1 . 1 34 34 SER HB2 H 1 3.666 0.03 . 2 . . . . . 34 SER HB2 . 25269 1 361 . 1 . 1 34 34 SER HB3 H 1 3.849 0.03 . 2 . . . . . 34 SER HB3 . 25269 1 362 . 1 . 1 34 34 SER CA C 13 55.392 0.03 . 1 . . . . . 34 SER CA . 25269 1 363 . 1 . 1 34 34 SER CB C 13 61.072 0.03 . 1 . . . . . 34 SER CB . 25269 1 364 . 1 . 1 34 34 SER N N 15 114.324 0.03 . 1 . . . . . 34 SER N . 25269 1 365 . 1 . 1 35 35 SER H H 1 8.185 0.03 . 1 . . . . . 35 SER H . 25269 1 366 . 1 . 1 35 35 SER HA H 1 4.392 0.03 . 1 . . . . . 35 SER HA . 25269 1 367 . 1 . 1 35 35 SER HB2 H 1 3.783 0.03 . 2 . . . . . 35 SER HB2 . 25269 1 368 . 1 . 1 35 35 SER HB3 H 1 3.813 0.03 . 2 . . . . . 35 SER HB3 . 25269 1 369 . 1 . 1 35 35 SER CA C 13 55.618 0.03 . 1 . . . . . 35 SER CA . 25269 1 370 . 1 . 1 35 35 SER CB C 13 61.247 0.03 . 1 . . . . . 35 SER CB . 25269 1 371 . 1 . 1 35 35 SER N N 15 117.133 0.03 . 1 . . . . . 35 SER N . 25269 1 372 . 1 . 1 36 36 GLY H H 1 8.021 0.03 . 1 . . . . . 36 GLY H . 25269 1 373 . 1 . 1 36 36 GLY HA2 H 1 3.871 0.03 . 2 . . . . . 36 GLY HA2 . 25269 1 374 . 1 . 1 36 36 GLY HA3 H 1 3.871 0.03 . 2 . . . . . 36 GLY HA3 . 25269 1 375 . 1 . 1 36 36 GLY CA C 13 42.423 0.03 . 1 . . . . . 36 GLY CA . 25269 1 376 . 1 . 1 36 36 GLY N N 15 107.839 0.03 . 1 . . . . . 36 GLY N . 25269 1 377 . 1 . 1 37 37 GLY H H 1 8.159 0.03 . 1 . . . . . 37 GLY H . 25269 1 378 . 1 . 1 37 37 GLY HA2 H 1 3.892 0.03 . 2 . . . . . 37 GLY HA2 . 25269 1 379 . 1 . 1 37 37 GLY HA3 H 1 3.892 0.03 . 2 . . . . . 37 GLY HA3 . 25269 1 380 . 1 . 1 37 37 GLY CA C 13 42.587 0.03 . 1 . . . . . 37 GLY CA . 25269 1 381 . 1 . 1 37 37 GLY N N 15 109.587 0.03 . 1 . . . . . 37 GLY N . 25269 1 382 . 1 . 1 38 38 GLY H H 1 8.047 0.03 . 1 . . . . . 38 GLY H . 25269 1 383 . 1 . 1 38 38 GLY HA2 H 1 3.885 0.03 . 2 . . . . . 38 GLY HA2 . 25269 1 384 . 1 . 1 38 38 GLY HA3 H 1 3.885 0.03 . 2 . . . . . 38 GLY HA3 . 25269 1 385 . 1 . 1 38 38 GLY CA C 13 42.423 0.03 . 1 . . . . . 38 GLY CA . 25269 1 386 . 1 . 1 38 38 GLY N N 15 107.839 0.03 . 1 . . . . . 38 GLY N . 25269 1 387 . 1 . 1 39 39 GLY H H 1 8.095 0.03 . 1 . . . . . 39 GLY H . 25269 1 388 . 1 . 1 39 39 GLY HA2 H 1 3.881 0.03 . 2 . . . . . 39 GLY HA2 . 25269 1 389 . 1 . 1 39 39 GLY HA3 H 1 3.881 0.03 . 2 . . . . . 39 GLY HA3 . 25269 1 390 . 1 . 1 39 39 GLY CA C 13 42.543 0.03 . 1 . . . . . 39 GLY CA . 25269 1 391 . 1 . 1 39 39 GLY N N 15 107.993 0.03 . 1 . . . . . 39 GLY N . 25269 1 392 . 1 . 1 40 40 SER H H 1 8.079 0.03 . 1 . . . . . 40 SER H . 25269 1 393 . 1 . 1 40 40 SER HA H 1 4.394 0.03 . 1 . . . . . 40 SER HA . 25269 1 394 . 1 . 1 40 40 SER HB2 H 1 3.787 0.03 . 2 . . . . . 40 SER HB2 . 25269 1 395 . 1 . 1 40 40 SER HB3 H 1 4.411 0.03 . 2 . . . . . 40 SER HB3 . 25269 1 396 . 1 . 1 40 40 SER CA C 13 55.388 0.03 . 1 . . . . . 40 SER CA . 25269 1 397 . 1 . 1 40 40 SER CB C 13 61.227 0.03 . 1 . . . . . 40 SER CB . 25269 1 398 . 1 . 1 40 40 SER N N 15 116.643 0.03 . 1 . . . . . 40 SER N . 25269 1 399 . 1 . 1 41 41 TYR H H 1 7.854 0.03 . 1 . . . . . 41 TYR H . 25269 1 400 . 1 . 1 41 41 TYR HA H 1 4.451 0.03 . 1 . . . . . 41 TYR HA . 25269 1 401 . 1 . 1 41 41 TYR HB2 H 1 2.826 0.03 . 2 . . . . . 41 TYR HB2 . 25269 1 402 . 1 . 1 41 41 TYR HB3 H 1 2.940 0.03 . 2 . . . . . 41 TYR HB3 . 25269 1 403 . 1 . 1 41 41 TYR HD1 H 1 7.019 0.03 . 3 . . . . . 41 TYR HD1 . 25269 1 404 . 1 . 1 41 41 TYR HD2 H 1 7.019 0.03 . 3 . . . . . 41 TYR HD2 . 25269 1 405 . 1 . 1 41 41 TYR HE1 H 1 6.556 0.03 . 3 . . . . . 41 TYR HE1 . 25269 1 406 . 1 . 1 41 41 TYR HE2 H 1 6.556 0.03 . 3 . . . . . 41 TYR HE2 . 25269 1 407 . 1 . 1 41 41 TYR CA C 13 55.125 0.03 . 1 . . . . . 41 TYR CA . 25269 1 408 . 1 . 1 41 41 TYR CB C 13 36.013 0.03 . 1 . . . . . 41 TYR CB . 25269 1 409 . 1 . 1 41 41 TYR CD1 C 13 130.278 0.03 . 3 . . . . . 41 TYR CD1 . 25269 1 410 . 1 . 1 41 41 TYR CD2 C 13 130.278 0.03 . 3 . . . . . 41 TYR CD2 . 25269 1 411 . 1 . 1 41 41 TYR CE1 C 13 115.178 0.03 . 3 . . . . . 41 TYR CE1 . 25269 1 412 . 1 . 1 41 41 TYR CE2 C 13 115.178 0.03 . 3 . . . . . 41 TYR CE2 . 25269 1 413 . 1 . 1 41 41 TYR N N 15 120.646 0.03 . 1 . . . . . 41 TYR N . 25269 1 414 . 1 . 1 42 42 HIS H H 1 7.806 0.03 . 1 . . . . . 42 HIS H . 25269 1 415 . 1 . 1 42 42 HIS HA H 1 4.607 0.03 . 1 . . . . . 42 HIS HA . 25269 1 416 . 1 . 1 42 42 HIS HB2 H 1 3.141 0.03 . 2 . . . . . 42 HIS HB2 . 25269 1 417 . 1 . 1 42 42 HIS HB3 H 1 3.078 0.03 . 2 . . . . . 42 HIS HB3 . 25269 1 418 . 1 . 1 42 42 HIS HD2 H 1 7.161 0.03 . 1 . . . . . 42 HIS HD2 . 25269 1 419 . 1 . 1 42 42 HIS HE1 H 1 8.192 0.03 . 1 . . . . . 42 HIS HE1 . 25269 1 420 . 1 . 1 42 42 HIS CA C 13 51.920 0.03 . 1 . . . . . 42 HIS CA . 25269 1 421 . 1 . 1 42 42 HIS CB C 13 27.108 0.03 . 1 . . . . . 42 HIS CB . 25269 1 422 . 1 . 1 42 42 HIS CD2 C 13 117.247 0.03 . 1 . . . . . 42 HIS CD2 . 25269 1 423 . 1 . 1 42 42 HIS CE1 C 13 133.329 0.03 . 1 . . . . . 42 HIS CE1 . 25269 1 424 . 1 . 1 42 42 HIS N N 15 118.252 0.03 . 1 . . . . . 42 HIS N . 25269 1 425 . 1 . 1 43 43 CYS H H 1 7.949 0.03 . 1 . . . . . 43 CYS H . 25269 1 426 . 1 . 1 43 43 CYS HA H 1 4.398 0.03 . 1 . . . . . 43 CYS HA . 25269 1 427 . 1 . 1 43 43 CYS HB2 H 1 3.214 0.03 . 2 . . . . . 43 CYS HB2 . 25269 1 428 . 1 . 1 43 43 CYS HB3 H 1 2.906 0.03 . 2 . . . . . 43 CYS HB3 . 25269 1 429 . 1 . 1 43 43 CYS CA C 13 54.200 0.03 . 1 . . . . . 43 CYS CA . 25269 1 430 . 1 . 1 43 43 CYS CB C 13 31.471 0.03 . 1 . . . . . 43 CYS CB . 25269 1 431 . 1 . 1 43 43 CYS N N 15 123.766 0.03 . 1 . . . . . 43 CYS N . 25269 1 432 . 2 . 2 1 1 NAG C1 C 13 100.952 0.03 . 1 . . . . . 100 NAG C1 . 25269 1 433 . 2 . 2 1 1 NAG C5 C 13 75.898 0.03 . 1 . . . . . 100 NAG C5 . 25269 1 434 . 2 . 2 1 1 NAG C6 C 13 61.050 0.03 . 1 . . . . . 100 NAG C6 . 25269 1 435 . 2 . 2 1 1 NAG C8 C 13 22.413 0.03 . 1 . . . . . 100 NAG C8 . 25269 1 436 . 2 . 2 1 1 NAG CC2 C 13 55.404 0.03 . 1 . . . . . 100 NAG CC2 . 25269 1 437 . 2 . 2 1 1 NAG CC3 C 13 73.788 0.03 . 1 . . . . . 100 NAG CC3 . 25269 1 438 . 2 . 2 1 1 NAG CC4 C 13 69.747 0.03 . 1 . . . . . 100 NAG CC4 . 25269 1 439 . 2 . 2 1 1 NAG H1 H 1 4.479 0.03 . 1 . . . . . 100 NAG H1 . 25269 1 440 . 2 . 2 1 1 NAG H2 H 1 7.834 0.03 . 1 . . . . . 100 NAG H2 . 25269 1 441 . 2 . 2 1 1 NAG H5 H 1 3.388 0.03 . 1 . . . . . 100 NAG H5 . 25269 1 442 . 2 . 2 1 1 NAG H61 H 1 3.627 0.03 . 2 . . . . . 100 NAG H61 . 25269 1 443 . 2 . 2 1 1 NAG H62 H 1 3.627 0.03 . 2 . . . . . 100 NAG H62 . 25269 1 444 . 2 . 2 1 1 NAG H81 H 1 1.994 0.03 . 2 . . . . . 100 NAG H81 . 25269 1 445 . 2 . 2 1 1 NAG H82 H 1 1.994 0.03 . 2 . . . . . 100 NAG H82 . 25269 1 446 . 2 . 2 1 1 NAG H83 H 1 1.994 0.03 . 2 . . . . . 100 NAG H83 . 25269 1 447 . 2 . 2 1 1 NAG HC2 H 1 3.653 0.03 . 1 . . . . . 100 NAG HC2 . 25269 1 448 . 2 . 2 1 1 NAG HC3 H 1 3.485 0.03 . 1 . . . . . 100 NAG HC3 . 25269 1 449 . 2 . 2 1 1 NAG HC4 H 1 3.345 0.03 . 1 . . . . . 100 NAG HC4 . 25269 1 450 . 2 . 2 1 1 NAG HO6 H 1 3.856 0.03 . 1 . . . . . 100 NAG HO6 . 25269 1 451 . 2 . 2 1 1 NAG N2 N 15 121.530 0.03 . 1 . . . . . 100 NAG N2 . 25269 1 452 . 3 . 2 1 1 NAG C1 C 13 83.723 0.03 . 1 . . . . . 200 NAG C1 . 25269 1 453 . 3 . 2 1 1 NAG C5 C 13 80.108 0.03 . 1 . . . . . 200 NAG C5 . 25269 1 454 . 3 . 2 1 1 NAG C6 C 13 61.226 0.03 . 1 . . . . . 200 NAG C6 . 25269 1 455 . 3 . 2 1 1 NAG C8 C 13 22.134 0.03 . 1 . . . . . 200 NAG C8 . 25269 1 456 . 3 . 2 1 1 NAG CC2 C 13 54.452 0.03 . 1 . . . . . 200 NAG CC2 . 25269 1 457 . 3 . 2 1 1 NAG CC3 C 13 75.184 0.03 . 1 . . . . . 200 NAG CC3 . 25269 1 458 . 3 . 2 1 1 NAG CC4 C 13 69.939 0.03 . 1 . . . . . 200 NAG CC4 . 25269 1 459 . 3 . 2 1 1 NAG H1 H 1 4.508 0.03 . 1 . . . . . 200 NAG H1 . 25269 1 460 . 3 . 2 1 1 NAG H2 H 1 7.835 0.03 . 1 . . . . . 200 NAG H2 . 25269 1 461 . 3 . 2 1 1 NAG H5 H 1 3.352 0.03 . 1 . . . . . 200 NAG H5 . 25269 1 462 . 3 . 2 1 1 NAG H61 H 1 3.808 0.03 . 2 . . . . . 200 NAG H61 . 25269 1 463 . 3 . 2 1 1 NAG H62 H 1 3.808 0.03 . 2 . . . . . 200 NAG H62 . 25269 1 464 . 3 . 2 1 1 NAG H81 H 1 1.900 0.03 . 2 . . . . . 200 NAG H81 . 25269 1 465 . 3 . 2 1 1 NAG H82 H 1 1.900 0.03 . 2 . . . . . 200 NAG H82 . 25269 1 466 . 3 . 2 1 1 NAG H83 H 1 1.900 0.03 . 2 . . . . . 200 NAG H83 . 25269 1 467 . 3 . 2 1 1 NAG HC2 H 1 3.691 0.03 . 1 . . . . . 200 NAG HC2 . 25269 1 468 . 3 . 2 1 1 NAG HC3 H 1 3.447 0.03 . 1 . . . . . 200 NAG HC3 . 25269 1 469 . 3 . 2 1 1 NAG HC4 H 1 3.350 0.03 . 1 . . . . . 200 NAG HC4 . 25269 1 470 . 3 . 2 1 1 NAG HO6 H 1 3.801 0.03 . 1 . . . . . 200 NAG HO6 . 25269 1 471 . 3 . 2 1 1 NAG N2 N 15 124.597 0.03 . 1 . . . . . 200 NAG N2 . 25269 1 stop_ save_