################################### # 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 27501 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27501 1 2 '3D 1H-15N TOCSY' . . . 27501 1 3 '3D 1H-15N NOESY' . . . 27501 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.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 4 4 ASP H H 1 8.132 0.02 . 1 . . . . . 1 ASP H . 27501 1 2 . 1 1 4 4 ASP HA H 1 4.617 0.02 . 1 . . . . . 1 ASP HA . 27501 1 3 . 1 1 4 4 ASP HB2 H 1 2.861 0.02 . 2 . . . . . 1 ASP HB2 . 27501 1 4 . 1 1 4 4 ASP HB3 H 1 2.861 0.02 . 2 . . . . . 1 ASP HB3 . 27501 1 5 . 1 1 4 4 ASP N N 15 118.945 0.3 . 1 . . . . . 1 ASP N . 27501 1 6 . 1 1 5 5 SER H H 1 8.339 0.02 . 1 . . . . . 2 SER H . 27501 1 7 . 1 1 5 5 SER HA H 1 4.420 0.02 . 1 . . . . . 2 SER HA . 27501 1 8 . 1 1 5 5 SER HB2 H 1 3.909 0.02 . 2 . . . . . 2 SER HB2 . 27501 1 9 . 1 1 5 5 SER HB3 H 1 3.909 0.02 . 2 . . . . . 2 SER HB3 . 27501 1 10 . 1 1 5 5 SER N N 15 116.367 0.3 . 1 . . . . . 2 SER N . 27501 1 11 . 1 1 6 6 LEU H H 1 8.270 0.02 . 1 . . . . . 3 LEU H . 27501 1 12 . 1 1 6 6 LEU HA H 1 4.381 0.02 . 1 . . . . . 3 LEU HA . 27501 1 13 . 1 1 6 6 LEU HB2 H 1 1.668 0.02 . 2 . . . . . 3 LEU HB2 . 27501 1 14 . 1 1 6 6 LEU HB3 H 1 1.668 0.02 . 2 . . . . . 3 LEU HB3 . 27501 1 15 . 1 1 6 6 LEU HG H 1 1.578 0.02 . 1 . . . . . 3 LEU HG . 27501 1 16 . 1 1 6 6 LEU HD11 H 1 0.845 0.02 . 2 . . . . . 3 LEU MD1 . 27501 1 17 . 1 1 6 6 LEU HD12 H 1 0.845 0.02 . 2 . . . . . 3 LEU MD1 . 27501 1 18 . 1 1 6 6 LEU HD13 H 1 0.845 0.02 . 2 . . . . . 3 LEU MD1 . 27501 1 19 . 1 1 6 6 LEU HD21 H 1 0.845 0.02 . 2 . . . . . 3 LEU MD2 . 27501 1 20 . 1 1 6 6 LEU HD22 H 1 0.845 0.02 . 2 . . . . . 3 LEU MD2 . 27501 1 21 . 1 1 6 6 LEU HD23 H 1 0.845 0.02 . 2 . . . . . 3 LEU MD2 . 27501 1 22 . 1 1 6 6 LEU N N 15 123.805 0.3 . 1 . . . . . 3 LEU N . 27501 1 23 . 1 1 7 7 GLY H H 1 8.100 0.02 . 1 . . . . . 4 GLY H . 27501 1 24 . 1 1 7 7 GLY HA2 H 1 3.924 0.02 . 2 . . . . . 4 GLY HA2 . 27501 1 25 . 1 1 7 7 GLY HA3 H 1 3.924 0.02 . 2 . . . . . 4 GLY HA3 . 27501 1 26 . 1 1 7 7 GLY N N 15 107.913 0.3 . 1 . . . . . 4 GLY N . 27501 1 27 . 1 1 8 8 ARG H H 1 8.267 0.02 . 1 . . . . . 5 ARG H . 27501 1 28 . 1 1 8 8 ARG HA H 1 4.682 0.02 . 1 . . . . . 5 ARG HA . 27501 1 29 . 1 1 8 8 ARG HB2 H 1 1.773 0.02 . 2 . . . . . 5 ARG HB2 . 27501 1 30 . 1 1 8 8 ARG HB3 H 1 1.773 0.02 . 2 . . . . . 5 ARG HB3 . 27501 1 31 . 1 1 8 8 ARG N N 15 119.013 0.3 . 1 . . . . . 5 ARG N . 27501 1 32 . 1 1 9 9 GLU H H 1 8.529 0.02 . 1 . . . . . 6 GLU H . 27501 1 33 . 1 1 9 9 GLU HA H 1 4.276 0.02 . 1 . . . . . 6 GLU HA . 27501 1 34 . 1 1 9 9 GLU HB2 H 1 1.891 0.02 . 2 . . . . . 6 GLU HB2 . 27501 1 35 . 1 1 9 9 GLU HB3 H 1 1.891 0.02 . 2 . . . . . 6 GLU HB3 . 27501 1 36 . 1 1 9 9 GLU HG2 H 1 2.271 0.02 . 2 . . . . . 6 GLU HG2 . 27501 1 37 . 1 1 9 9 GLU HG3 H 1 2.271 0.02 . 2 . . . . . 6 GLU HG3 . 27501 1 38 . 1 1 9 9 GLU N N 15 123.308 0.3 . 1 . . . . . 6 GLU N . 27501 1 39 . 1 1 10 10 ALA H H 1 8.727 0.02 . 1 . . . . . 7 ALA H . 27501 1 40 . 1 1 10 10 ALA HA H 1 4.313 0.02 . 1 . . . . . 7 ALA HA . 27501 1 41 . 1 1 10 10 ALA HB1 H 1 1.310 0.02 . 1 . . . . . 7 ALA MB . 27501 1 42 . 1 1 10 10 ALA HB2 H 1 1.310 0.02 . 1 . . . . . 7 ALA MB . 27501 1 43 . 1 1 10 10 ALA HB3 H 1 1.310 0.02 . 1 . . . . . 7 ALA MB . 27501 1 44 . 1 1 10 10 ALA N N 15 126.960 0.3 . 1 . . . . . 7 ALA N . 27501 1 45 . 1 1 14 14 ASN H H 1 8.408 0.02 . 1 . . . . . 11 ASN H . 27501 1 46 . 1 1 14 14 ASN HA H 1 4.620 0.02 . 1 . . . . . 11 ASN HA . 27501 1 47 . 1 1 14 14 ASN HB2 H 1 2.835 0.02 . 2 . . . . . 11 ASN HB2 . 27501 1 48 . 1 1 14 14 ASN HB3 H 1 2.835 0.02 . 2 . . . . . 11 ASN HB3 . 27501 1 49 . 1 1 14 14 ASN N N 15 118.355 0.3 . 1 . . . . . 11 ASN N . 27501 1 50 . 1 1 15 15 GLU H H 1 8.022 0.02 . 1 . . . . . 12 GLU H . 27501 1 51 . 1 1 15 15 GLU HA H 1 4.430 0.02 . 1 . . . . . 12 GLU HA . 27501 1 52 . 1 1 15 15 GLU HB2 H 1 2.417 0.02 . 1 . . . . . 12 GLU HB2 . 27501 1 53 . 1 1 15 15 GLU HB3 H 1 1.987 0.02 . 1 . . . . . 12 GLU HB3 . 27501 1 54 . 1 1 15 15 GLU N N 15 118.323 0.3 . 1 . . . . . 12 GLU N . 27501 1 55 . 1 1 16 16 LEU H H 1 8.189 0.02 . 1 . . . . . 13 LEU H . 27501 1 56 . 1 1 16 16 LEU HA H 1 4.153 0.02 . 1 . . . . . 13 LEU HA . 27501 1 57 . 1 1 16 16 LEU HB2 H 1 1.567 0.02 . 2 . . . . . 13 LEU HB2 . 27501 1 58 . 1 1 16 16 LEU HB3 H 1 1.567 0.02 . 2 . . . . . 13 LEU HB3 . 27501 1 59 . 1 1 16 16 LEU N N 15 122.210 0.3 . 1 . . . . . 13 LEU N . 27501 1 60 . 1 1 17 17 ASN H H 1 8.337 0.02 . 1 . . . . . 14 ASN H . 27501 1 61 . 1 1 17 17 ASN HA H 1 4.537 0.02 . 1 . . . . . 14 ASN HA . 27501 1 62 . 1 1 17 17 ASN HB2 H 1 2.748 0.02 . 2 . . . . . 14 ASN HB2 . 27501 1 63 . 1 1 17 17 ASN HB3 H 1 2.748 0.02 . 2 . . . . . 14 ASN HB3 . 27501 1 64 . 1 1 17 17 ASN N N 15 116.855 0.3 . 1 . . . . . 14 ASN N . 27501 1 65 . 1 1 18 18 ASP H H 1 8.236 0.02 . 1 . . . . . 15 ASP H . 27501 1 66 . 1 1 18 18 ASP HA H 1 4.617 0.02 . 1 . . . . . 15 ASP HA . 27501 1 67 . 1 1 18 18 ASP HB2 H 1 2.821 0.02 . 2 . . . . . 15 ASP HB2 . 27501 1 68 . 1 1 18 18 ASP HB3 H 1 2.821 0.02 . 2 . . . . . 15 ASP HB3 . 27501 1 69 . 1 1 18 18 ASP N N 15 116.984 0.3 . 1 . . . . . 15 ASP N . 27501 1 70 . 1 1 19 19 CYS H H 1 8.238 0.02 . 1 . . . . . 16 CYS H . 27501 1 71 . 1 1 19 19 CYS HA H 1 4.692 0.02 . 1 . . . . . 16 CYS HA . 27501 1 72 . 1 1 19 19 CYS HB2 H 1 2.783 0.02 . 2 . . . . . 16 CYS HB2 . 27501 1 73 . 1 1 19 19 CYS HB3 H 1 2.783 0.02 . 2 . . . . . 16 CYS HB3 . 27501 1 74 . 1 1 19 19 CYS N N 15 118.335 0.3 . 1 . . . . . 16 CYS N . 27501 1 75 . 1 1 20 20 THR H H 1 8.182 0.02 . 1 . . . . . 17 THR H . 27501 1 76 . 1 1 20 20 THR HA H 1 4.331 0.02 . 1 . . . . . 17 THR HA . 27501 1 77 . 1 1 20 20 THR N N 15 115.377 0.3 . 1 . . . . . 17 THR N . 27501 1 78 . 1 1 24 24 ALA H H 1 8.245 0.02 . 1 . . . . . 21 ALA H . 27501 1 79 . 1 1 24 24 ALA HA H 1 4.251 0.02 . 1 . . . . . 21 ALA HA . 27501 1 80 . 1 1 24 24 ALA HB1 H 1 1.379 0.02 . 1 . . . . . 21 ALA MB . 27501 1 81 . 1 1 24 24 ALA HB2 H 1 1.379 0.02 . 1 . . . . . 21 ALA MB . 27501 1 82 . 1 1 24 24 ALA HB3 H 1 1.379 0.02 . 1 . . . . . 21 ALA MB . 27501 1 83 . 1 1 24 24 ALA N N 15 128.182 0.3 . 1 . . . . . 21 ALA N . 27501 1 84 . 1 1 26 26 VAL H H 1 8.071 0.02 . 1 . . . . . 23 VAL H . 27501 1 85 . 1 1 26 26 VAL HA H 1 4.818 0.02 . 1 . . . . . 23 VAL HA . 27501 1 86 . 1 1 26 26 VAL HB H 1 1.505 0.02 . 1 . . . . . 23 VAL HB . 27501 1 87 . 1 1 26 26 VAL HG11 H 1 0.619 0.02 . 2 . . . . . 23 VAL MG1 . 27501 1 88 . 1 1 26 26 VAL HG12 H 1 0.619 0.02 . 2 . . . . . 23 VAL MG1 . 27501 1 89 . 1 1 26 26 VAL HG13 H 1 0.619 0.02 . 2 . . . . . 23 VAL MG1 . 27501 1 90 . 1 1 26 26 VAL HG21 H 1 0.619 0.02 . 2 . . . . . 23 VAL MG2 . 27501 1 91 . 1 1 26 26 VAL HG22 H 1 0.619 0.02 . 2 . . . . . 23 VAL MG2 . 27501 1 92 . 1 1 26 26 VAL HG23 H 1 0.619 0.02 . 2 . . . . . 23 VAL MG2 . 27501 1 93 . 1 1 26 26 VAL N N 15 109.868 0.3 . 1 . . . . . 23 VAL N . 27501 1 94 . 1 1 27 27 CYS H H 1 8.516 0.02 . 1 . . . . . 24 CYS H . 27501 1 95 . 1 1 27 27 CYS HA H 1 5.377 0.02 . 1 . . . . . 24 CYS HA . 27501 1 96 . 1 1 27 27 CYS HB2 H 1 2.913 0.02 . 2 . . . . . 24 CYS HB2 . 27501 1 97 . 1 1 27 27 CYS HB3 H 1 2.808 0.02 . 2 . . . . . 24 CYS HB3 . 27501 1 98 . 1 1 27 27 CYS N N 15 121.864 0.3 . 1 . . . . . 24 CYS N . 27501 1 99 . 1 1 28 28 GLY H H 1 9.765 0.02 . 1 . . . . . 25 GLY H . 27501 1 100 . 1 1 28 28 GLY HA2 H 1 5.164 0.02 . 1 . . . . . 25 GLY HA2 . 27501 1 101 . 1 1 28 28 GLY HA3 H 1 4.253 0.02 . 1 . . . . . 25 GLY HA3 . 27501 1 102 . 1 1 28 28 GLY N N 15 116.023 0.3 . 1 . . . . . 25 GLY N . 27501 1 103 . 1 1 29 29 THR H H 1 9.056 0.02 . 1 . . . . . 26 THR H . 27501 1 104 . 1 1 29 29 THR HA H 1 4.197 0.02 . 1 . . . . . 26 THR HA . 27501 1 105 . 1 1 29 29 THR HB H 1 3.455 0.02 . 1 . . . . . 26 THR HB . 27501 1 106 . 1 1 29 29 THR HG21 H 1 1.170 0.02 . 1 . . . . . 26 THR HG2 . 27501 1 107 . 1 1 29 29 THR HG22 H 1 1.170 0.02 . 1 . . . . . 26 THR HG2 . 27501 1 108 . 1 1 29 29 THR HG23 H 1 1.170 0.02 . 1 . . . . . 26 THR HG2 . 27501 1 109 . 1 1 29 29 THR N N 15 114.034 0.3 . 1 . . . . . 26 THR N . 27501 1 110 . 1 1 30 30 ASP H H 1 8.456 0.02 . 1 . . . . . 27 ASP H . 27501 1 111 . 1 1 30 30 ASP HA H 1 4.538 0.02 . 1 . . . . . 27 ASP HA . 27501 1 112 . 1 1 30 30 ASP HB2 H 1 3.044 0.02 . 1 . . . . . 27 ASP HB2 . 27501 1 113 . 1 1 30 30 ASP HB3 H 1 2.743 0.02 . 1 . . . . . 27 ASP HB3 . 27501 1 114 . 1 1 30 30 ASP N N 15 118.539 0.3 . 1 . . . . . 27 ASP N . 27501 1 115 . 1 1 31 31 GLY H H 1 8.328 0.02 . 1 . . . . . 28 GLY H . 27501 1 116 . 1 1 31 31 GLY HA2 H 1 4.105 0.02 . 1 . . . . . 28 GLY HA2 . 27501 1 117 . 1 1 31 31 GLY HA3 H 1 3.752 0.02 . 1 . . . . . 28 GLY HA3 . 27501 1 118 . 1 1 31 31 GLY N N 15 108.595 0.3 . 1 . . . . . 28 GLY N . 27501 1 119 . 1 1 32 32 ASN H H 1 7.904 0.02 . 1 . . . . . 29 ASN H . 27501 1 120 . 1 1 32 32 ASN HA H 1 4.957 0.02 . 1 . . . . . 29 ASN HA . 27501 1 121 . 1 1 32 32 ASN HB2 H 1 2.847 0.02 . 1 . . . . . 29 ASN HB2 . 27501 1 122 . 1 1 32 32 ASN HB3 H 1 2.166 0.02 . 1 . . . . . 29 ASN HB3 . 27501 1 123 . 1 1 32 32 ASN N N 15 118.307 0.3 . 1 . . . . . 29 ASN N . 27501 1 124 . 1 1 33 33 THR H H 1 8.580 0.02 . 1 . . . . . 30 THR H . 27501 1 125 . 1 1 33 33 THR HA H 1 4.984 0.02 . 1 . . . . . 30 THR HA . 27501 1 126 . 1 1 33 33 THR HB H 1 3.988 0.02 . 1 . . . . . 30 THR HB . 27501 1 127 . 1 1 33 33 THR HG21 H 1 1.164 0.02 . 1 . . . . . 30 THR HG2 . 27501 1 128 . 1 1 33 33 THR HG22 H 1 1.164 0.02 . 1 . . . . . 30 THR HG2 . 27501 1 129 . 1 1 33 33 THR HG23 H 1 1.164 0.02 . 1 . . . . . 30 THR HG2 . 27501 1 130 . 1 1 33 33 THR N N 15 120.879 0.3 . 1 . . . . . 30 THR N . 27501 1 131 . 1 1 34 34 TYR H H 1 9.676 0.02 . 1 . . . . . 31 TYR H . 27501 1 132 . 1 1 34 34 TYR HA H 1 4.800 0.02 . 1 . . . . . 31 TYR HA . 27501 1 133 . 1 1 34 34 TYR HB2 H 1 2.671 0.02 . 2 . . . . . 31 TYR HB2 . 27501 1 134 . 1 1 34 34 TYR HB3 H 1 2.671 0.02 . 2 . . . . . 31 TYR HB3 . 27501 1 135 . 1 1 34 34 TYR N N 15 127.644 0.3 . 1 . . . . . 31 TYR N . 27501 1 136 . 1 1 36 36 ASN H H 1 6.989 0.02 . 1 . . . . . 33 ASN H . 27501 1 137 . 1 1 36 36 ASN HA H 1 5.023 0.02 . 1 . . . . . 33 ASN HA . 27501 1 138 . 1 1 36 36 ASN N N 15 129.097 0.3 . 1 . . . . . 33 ASN N . 27501 1 139 . 1 1 37 37 GLU H H 1 9.631 0.02 . 1 . . . . . 34 GLU H . 27501 1 140 . 1 1 37 37 GLU HA H 1 3.896 0.02 . 1 . . . . . 34 GLU HA . 27501 1 141 . 1 1 37 37 GLU HB2 H 1 2.093 0.02 . 2 . . . . . 34 GLU HB2 . 27501 1 142 . 1 1 37 37 GLU HB3 H 1 2.093 0.02 . 2 . . . . . 34 GLU HB3 . 27501 1 143 . 1 1 37 37 GLU N N 15 117.197 0.3 . 1 . . . . . 34 GLU N . 27501 1 144 . 1 1 39 39 VAL H H 1 8.343 0.02 . 1 . . . . . 36 VAL H . 27501 1 145 . 1 1 39 39 VAL HA H 1 3.810 0.02 . 1 . . . . . 36 VAL HA . 27501 1 146 . 1 1 39 39 VAL HB H 1 1.961 0.02 . 1 . . . . . 36 VAL HB . 27501 1 147 . 1 1 39 39 VAL N N 15 121.722 0.3 . 1 . . . . . 36 VAL N . 27501 1 148 . 1 1 40 40 LEU H H 1 7.039 0.02 . 1 . . . . . 37 LEU H . 27501 1 149 . 1 1 40 40 LEU HA H 1 3.634 0.02 . 1 . . . . . 37 LEU HA . 27501 1 150 . 1 1 40 40 LEU HB2 H 1 1.668 0.02 . 2 . . . . . 37 LEU HB2 . 27501 1 151 . 1 1 40 40 LEU HB3 H 1 1.668 0.02 . 2 . . . . . 37 LEU HB3 . 27501 1 152 . 1 1 40 40 LEU N N 15 120.454 0.3 . 1 . . . . . 37 LEU N . 27501 1 153 . 1 1 41 41 CYS H H 1 8.200 0.02 . 1 . . . . . 38 CYS H . 27501 1 154 . 1 1 41 41 CYS HA H 1 4.233 0.02 . 1 . . . . . 38 CYS HA . 27501 1 155 . 1 1 41 41 CYS HB2 H 1 3.169 0.02 . 2 . . . . . 38 CYS HB2 . 27501 1 156 . 1 1 41 41 CYS HB3 H 1 3.169 0.02 . 2 . . . . . 38 CYS HB3 . 27501 1 157 . 1 1 41 41 CYS N N 15 117.770 0.3 . 1 . . . . . 38 CYS N . 27501 1 158 . 1 1 43 43 GLU H H 1 8.839 0.02 . 1 . . . . . 40 GLU H . 27501 1 159 . 1 1 43 43 GLU HA H 1 4.092 0.02 . 1 . . . . . 40 GLU HA . 27501 1 160 . 1 1 43 43 GLU HB2 H 1 2.192 0.02 . 2 . . . . . 40 GLU HB2 . 27501 1 161 . 1 1 43 43 GLU HB3 H 1 2.192 0.02 . 2 . . . . . 40 GLU HB3 . 27501 1 162 . 1 1 43 43 GLU HG2 H 1 2.625 0.02 . 2 . . . . . 40 GLU HG2 . 27501 1 163 . 1 1 43 43 GLU HG3 H 1 2.625 0.02 . 2 . . . . . 40 GLU HG3 . 27501 1 164 . 1 1 43 43 GLU N N 15 120.138 0.3 . 1 . . . . . 40 GLU N . 27501 1 165 . 1 1 44 44 ASN H H 1 8.557 0.02 . 1 . . . . . 41 ASN H . 27501 1 166 . 1 1 44 44 ASN HA H 1 4.630 0.02 . 1 . . . . . 41 ASN HA . 27501 1 167 . 1 1 44 44 ASN HB2 H 1 3.005 0.02 . 2 . . . . . 41 ASN HB2 . 27501 1 168 . 1 1 44 44 ASN HB3 H 1 3.005 0.02 . 2 . . . . . 41 ASN HB3 . 27501 1 169 . 1 1 44 44 ASN N N 15 118.592 0.3 . 1 . . . . . 41 ASN N . 27501 1 170 . 1 1 45 45 ARG H H 1 7.779 0.02 . 1 . . . . . 42 ARG H . 27501 1 171 . 1 1 45 45 ARG HA H 1 4.145 0.02 . 1 . . . . . 42 ARG HA . 27501 1 172 . 1 1 45 45 ARG HB2 H 1 1.956 0.02 . 2 . . . . . 42 ARG HB2 . 27501 1 173 . 1 1 45 45 ARG HB3 H 1 1.956 0.02 . 2 . . . . . 42 ARG HB3 . 27501 1 174 . 1 1 45 45 ARG N N 15 118.979 0.3 . 1 . . . . . 42 ARG N . 27501 1 175 . 1 1 46 46 LYS H H 1 7.960 0.02 . 1 . . . . . 43 LYS H . 27501 1 176 . 1 1 46 46 LYS HA H 1 4.119 0.02 . 1 . . . . . 43 LYS HA . 27501 1 177 . 1 1 46 46 LYS HB2 H 1 1.851 0.02 . 2 . . . . . 43 LYS HB2 . 27501 1 178 . 1 1 46 46 LYS HB3 H 1 1.851 0.02 . 2 . . . . . 43 LYS HB3 . 27501 1 179 . 1 1 46 46 LYS N N 15 118.929 0.3 . 1 . . . . . 43 LYS N . 27501 1 180 . 1 1 47 47 ARG H H 1 8.181 0.02 . 1 . . . . . 44 ARG H . 27501 1 181 . 1 1 47 47 ARG HA H 1 4.368 0.02 . 1 . . . . . 44 ARG HA . 27501 1 182 . 1 1 47 47 ARG HB2 H 1 1.943 0.02 . 2 . . . . . 44 ARG HB2 . 27501 1 183 . 1 1 47 47 ARG HB3 H 1 1.943 0.02 . 2 . . . . . 44 ARG HB3 . 27501 1 184 . 1 1 47 47 ARG N N 15 115.840 0.3 . 1 . . . . . 44 ARG N . 27501 1 185 . 1 1 48 48 GLN H H 1 8.031 0.02 . 1 . . . . . 45 GLN H . 27501 1 186 . 1 1 48 48 GLN HA H 1 4.106 0.02 . 1 . . . . . 45 GLN HA . 27501 1 187 . 1 1 48 48 GLN HB2 H 1 2.323 0.02 . 2 . . . . . 45 GLN HB2 . 27501 1 188 . 1 1 48 48 GLN HB3 H 1 2.323 0.02 . 2 . . . . . 45 GLN HB3 . 27501 1 189 . 1 1 48 48 GLN N N 15 117.004 0.3 . 1 . . . . . 45 GLN N . 27501 1 190 . 1 1 49 49 THR H H 1 8.157 0.02 . 1 . . . . . 46 THR H . 27501 1 191 . 1 1 49 49 THR HA H 1 4.564 0.02 . 1 . . . . . 46 THR HA . 27501 1 192 . 1 1 49 49 THR HB H 1 4.253 0.02 . 1 . . . . . 46 THR HB . 27501 1 193 . 1 1 49 49 THR HG21 H 1 1.110 0.02 . 1 . . . . . 46 THR HG2 . 27501 1 194 . 1 1 49 49 THR HG22 H 1 1.110 0.02 . 1 . . . . . 46 THR HG2 . 27501 1 195 . 1 1 49 49 THR HG23 H 1 1.110 0.02 . 1 . . . . . 46 THR HG2 . 27501 1 196 . 1 1 49 49 THR N N 15 110.056 0.3 . 1 . . . . . 46 THR N . 27501 1 197 . 1 1 50 50 SER H H 1 8.639 0.02 . 1 . . . . . 47 SER H . 27501 1 198 . 1 1 50 50 SER HA H 1 4.420 0.02 . 1 . . . . . 47 SER HA . 27501 1 199 . 1 1 50 50 SER HB2 H 1 3.699 0.02 . 2 . . . . . 47 SER HB2 . 27501 1 200 . 1 1 50 50 SER HB3 H 1 3.699 0.02 . 2 . . . . . 47 SER HB3 . 27501 1 201 . 1 1 50 50 SER N N 15 117.578 0.3 . 1 . . . . . 47 SER N . 27501 1 202 . 1 1 51 51 ILE H H 1 7.950 0.02 . 1 . . . . . 48 ILE H . 27501 1 203 . 1 1 51 51 ILE HA H 1 3.739 0.02 . 1 . . . . . 48 ILE HA . 27501 1 204 . 1 1 51 51 ILE HB H 1 1.983 0.02 . 1 . . . . . 48 ILE HB . 27501 1 205 . 1 1 51 51 ILE N N 15 123.055 0.3 . 1 . . . . . 48 ILE N . 27501 1 206 . 1 1 52 52 LEU H H 1 7.619 0.02 . 1 . . . . . 49 LEU H . 27501 1 207 . 1 1 52 52 LEU HA H 1 4.590 0.02 . 1 . . . . . 49 LEU HA . 27501 1 208 . 1 1 52 52 LEU HB2 H 1 1.629 0.02 . 1 . . . . . 49 LEU HB2 . 27501 1 209 . 1 1 52 52 LEU HB3 H 1 1.262 0.02 . 1 . . . . . 49 LEU HB3 . 27501 1 210 . 1 1 52 52 LEU N N 15 127.714 0.3 . 1 . . . . . 49 LEU N . 27501 1 211 . 1 1 53 53 ILE H H 1 8.931 0.02 . 1 . . . . . 50 ILE H . 27501 1 212 . 1 1 53 53 ILE HA H 1 3.961 0.02 . 1 . . . . . 50 ILE HA . 27501 1 213 . 1 1 53 53 ILE HB H 1 1.747 0.02 . 1 . . . . . 50 ILE HB . 27501 1 214 . 1 1 53 53 ILE N N 15 118.829 0.3 . 1 . . . . . 50 ILE N . 27501 1 215 . 1 1 54 54 GLN H H 1 9.670 0.02 . 1 . . . . . 51 GLN H . 27501 1 216 . 1 1 54 54 GLN HA H 1 4.276 0.02 . 1 . . . . . 51 GLN HA . 27501 1 217 . 1 1 54 54 GLN HB2 H 1 1.841 0.02 . 2 . . . . . 51 GLN HB2 . 27501 1 218 . 1 1 54 54 GLN HB3 H 1 1.841 0.02 . 2 . . . . . 51 GLN HB3 . 27501 1 219 . 1 1 54 54 GLN HG2 H 1 2.292 0.02 . 2 . . . . . 51 GLN HG2 . 27501 1 220 . 1 1 54 54 GLN HG3 H 1 2.292 0.02 . 2 . . . . . 51 GLN HG3 . 27501 1 221 . 1 1 54 54 GLN N N 15 130.524 0.3 . 1 . . . . . 51 GLN N . 27501 1 222 . 1 1 55 55 LYS H H 1 7.623 0.02 . 1 . . . . . 52 LYS H . 27501 1 223 . 1 1 55 55 LYS HA H 1 4.600 0.02 . 1 . . . . . 52 LYS HA . 27501 1 224 . 1 1 55 55 LYS HB2 H 1 2.153 0.02 . 2 . . . . . 52 LYS HB2 . 27501 1 225 . 1 1 55 55 LYS HB3 H 1 2.153 0.02 . 2 . . . . . 52 LYS HB3 . 27501 1 226 . 1 1 55 55 LYS N N 15 111.862 0.3 . 1 . . . . . 52 LYS N . 27501 1 227 . 1 1 56 56 SER H H 1 8.625 0.02 . 1 . . . . . 53 SER H . 27501 1 228 . 1 1 56 56 SER HA H 1 4.512 0.02 . 1 . . . . . 53 SER HA . 27501 1 229 . 1 1 56 56 SER HB2 H 1 3.935 0.02 . 2 . . . . . 53 SER HB2 . 27501 1 230 . 1 1 56 56 SER HB3 H 1 3.935 0.02 . 2 . . . . . 53 SER HB3 . 27501 1 231 . 1 1 56 56 SER N N 15 116.412 0.3 . 1 . . . . . 53 SER N . 27501 1 232 . 1 1 57 57 GLY H H 1 8.217 0.02 . 1 . . . . . 54 GLY H . 27501 1 233 . 1 1 57 57 GLY HA2 H 1 4.253 0.02 . 1 . . . . . 54 GLY HA2 . 27501 1 234 . 1 1 57 57 GLY HA3 H 1 3.594 0.02 . 1 . . . . . 54 GLY HA3 . 27501 1 235 . 1 1 57 57 GLY N N 15 113.235 0.3 . 1 . . . . . 54 GLY N . 27501 1 236 . 1 1 59 59 CYS H H 1 8.140 0.02 . 1 . . . . . 56 CYS H . 27501 1 237 . 1 1 59 59 CYS HA H 1 4.276 0.02 . 1 . . . . . 56 CYS HA . 27501 1 238 . 1 1 59 59 CYS HB2 H 1 3.136 0.02 . 1 . . . . . 56 CYS HB2 . 27501 1 239 . 1 1 59 59 CYS HB3 H 1 2.559 0.02 . 1 . . . . . 56 CYS HB3 . 27501 1 240 . 1 1 59 59 CYS N N 15 122.590 0.3 . 1 . . . . . 56 CYS N . 27501 1 stop_ save_