################################### # 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 15654 _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' . . . 15654 1 2 '3D HNCA' . . . 15654 1 3 '3D CBCA(CO)NH' . . . 15654 1 4 '3D HNCO' . . . 15654 1 5 '3D HN(CA)CO' . . . 15654 1 6 '3D 1H-15N TOCSY' . . . 15654 1 7 '3D 1H-15N NOESY' . . . 15654 1 8 '3D CNH-NOESY' . . . 15654 1 9 '3D HBHA(CO)NH' . . . 15654 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $TOPSPIN . . 15654 1 2 $XEASY . . 15654 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 PRO HA H 1 4.40 0.02 . 1 . . . . 2 PRO HA . 15654 1 2 . 1 1 2 2 PRO HB2 H 1 2.21 0.02 . 2 . . . . 2 PRO HB2 . 15654 1 3 . 1 1 2 2 PRO HB3 H 1 1.93 0.02 . 2 . . . . 2 PRO HB3 . 15654 1 4 . 1 1 2 2 PRO C C 13 176.5 0.5 . 1 . . . . 2 PRO C . 15654 1 5 . 1 1 2 2 PRO CA C 13 63.4 0.5 . 1 . . . . 2 PRO CA . 15654 1 6 . 1 1 2 2 PRO CB C 13 31.8 0.5 . 1 . . . . 2 PRO CB . 15654 1 7 . 1 1 3 3 GLU H H 1 8.80 0.02 . 1 . . . . 3 GLU H . 15654 1 8 . 1 1 3 3 GLU HA H 1 4.35 0.02 . 1 . . . . 3 GLU HA . 15654 1 9 . 1 1 3 3 GLU HB2 H 1 2.06 0.02 . 2 . . . . 3 GLU HB2 . 15654 1 10 . 1 1 3 3 GLU HB3 H 1 1.91 0.02 . 2 . . . . 3 GLU HB3 . 15654 1 11 . 1 1 3 3 GLU C C 13 176.3 0.5 . 1 . . . . 3 GLU C . 15654 1 12 . 1 1 3 3 GLU CA C 13 56.9 0.5 . 1 . . . . 3 GLU CA . 15654 1 13 . 1 1 3 3 GLU CB C 13 29.9 0.5 . 1 . . . . 3 GLU CB . 15654 1 14 . 1 1 3 3 GLU N N 15 120.5 0.5 . 1 . . . . 3 GLU N . 15654 1 15 . 1 1 4 4 THR H H 1 7.87 0.02 . 1 . . . . 4 THR H . 15654 1 16 . 1 1 4 4 THR HA H 1 4.45 0.02 . 1 . . . . 4 THR HA . 15654 1 17 . 1 1 4 4 THR HB H 1 4.22 0.02 . 1 . . . . 4 THR HB . 15654 1 18 . 1 1 4 4 THR C C 13 174.0 0.5 . 1 . . . . 4 THR C . 15654 1 19 . 1 1 4 4 THR CA C 13 61.4 0.5 . 1 . . . . 4 THR CA . 15654 1 20 . 1 1 4 4 THR CB C 13 70.3 0.5 . 1 . . . . 4 THR CB . 15654 1 21 . 1 1 4 4 THR N N 15 113.4 0.5 . 1 . . . . 4 THR N . 15654 1 22 . 1 1 5 5 LEU H H 1 8.18 0.02 . 1 . . . . 5 LEU H . 15654 1 23 . 1 1 5 5 LEU HA H 1 4.41 0.02 . 1 . . . . 5 LEU HA . 15654 1 24 . 1 1 5 5 LEU HB2 H 1 1.57 0.02 . 2 . . . . 5 LEU HB2 . 15654 1 25 . 1 1 5 5 LEU HB3 H 1 1.18 0.02 . 2 . . . . 5 LEU HB3 . 15654 1 26 . 1 1 5 5 LEU C C 13 174.9 0.5 . 1 . . . . 5 LEU C . 15654 1 27 . 1 1 5 5 LEU CA C 13 54.8 0.5 . 1 . . . . 5 LEU CA . 15654 1 28 . 1 1 5 5 LEU CB C 13 44.4 0.5 . 1 . . . . 5 LEU CB . 15654 1 29 . 1 1 5 5 LEU N N 15 123.9 0.5 . 1 . . . . 5 LEU N . 15654 1 30 . 1 1 6 6 CYS H H 1 8.34 0.02 . 1 . . . . 6 CYS H . 15654 1 31 . 1 1 6 6 CYS HA H 1 4.65 0.02 . 1 . . . . 6 CYS HA . 15654 1 32 . 1 1 6 6 CYS HB2 H 1 2.99 0.02 . 1 . . . . 6 CYS HB2 . 15654 1 33 . 1 1 6 6 CYS HB3 H 1 2.99 0.02 . 1 . . . . 6 CYS HB3 . 15654 1 34 . 1 1 6 6 CYS C C 13 174.9 0.5 . 1 . . . . 6 CYS C . 15654 1 35 . 1 1 6 6 CYS CA C 13 54.8 0.5 . 1 . . . . 6 CYS CA . 15654 1 36 . 1 1 6 6 CYS CB C 13 45.1 0.5 . 1 . . . . 6 CYS CB . 15654 1 37 . 1 1 6 6 CYS N N 15 118.1 0.5 . 1 . . . . 6 CYS N . 15654 1 38 . 1 1 7 7 GLY H H 1 8.57 0.02 . 1 . . . . 7 GLY H . 15654 1 39 . 1 1 7 7 GLY HA2 H 1 3.88 0.02 . 2 . . . . 7 GLY HA2 . 15654 1 40 . 1 1 7 7 GLY HA3 H 1 3.75 0.02 . 2 . . . . 7 GLY HA3 . 15654 1 41 . 1 1 7 7 GLY C C 13 174.9 0.5 . 1 . . . . 7 GLY C . 15654 1 42 . 1 1 7 7 GLY CA C 13 46.5 0.5 . 1 . . . . 7 GLY CA . 15654 1 43 . 1 1 7 7 GLY N N 15 110.5 0.5 . 1 . . . . 7 GLY N . 15654 1 44 . 1 1 8 8 ALA H H 1 8.58 0.02 . 1 . . . . 8 ALA H . 15654 1 45 . 1 1 8 8 ALA HA H 1 3.99 0.02 . 1 . . . . 8 ALA HA . 15654 1 46 . 1 1 8 8 ALA HB1 H 1 1.39 0.02 . 1 . . . . 8 ALA HB . 15654 1 47 . 1 1 8 8 ALA HB2 H 1 1.39 0.02 . 1 . . . . 8 ALA HB . 15654 1 48 . 1 1 8 8 ALA HB3 H 1 1.39 0.02 . 1 . . . . 8 ALA HB . 15654 1 49 . 1 1 8 8 ALA C C 13 178.9 0.5 . 1 . . . . 8 ALA C . 15654 1 50 . 1 1 8 8 ALA CA C 13 54.5 0.5 . 1 . . . . 8 ALA CA . 15654 1 51 . 1 1 8 8 ALA CB C 13 18.4 0.5 . 1 . . . . 8 ALA CB . 15654 1 52 . 1 1 8 8 ALA N N 15 126.8 0.5 . 1 . . . . 8 ALA N . 15654 1 53 . 1 1 9 9 GLU H H 1 8.35 0.02 . 1 . . . . 9 GLU H . 15654 1 54 . 1 1 9 9 GLU HA H 1 4.08 0.02 . 1 . . . . 9 GLU HA . 15654 1 55 . 1 1 9 9 GLU HB2 H 1 2.07 0.02 . 1 . . . . 9 GLU HB2 . 15654 1 56 . 1 1 9 9 GLU HB3 H 1 2.07 0.02 . 1 . . . . 9 GLU HB3 . 15654 1 57 . 1 1 9 9 GLU C C 13 179.0 0.5 . 1 . . . . 9 GLU C . 15654 1 58 . 1 1 9 9 GLU CA C 13 59.0 0.5 . 1 . . . . 9 GLU CA . 15654 1 59 . 1 1 9 9 GLU CB C 13 29.0 0.5 . 1 . . . . 9 GLU CB . 15654 1 60 . 1 1 9 9 GLU N N 15 116.5 0.5 . 1 . . . . 9 GLU N . 15654 1 61 . 1 1 10 10 LEU H H 1 7.35 0.02 . 1 . . . . 10 LEU H . 15654 1 62 . 1 1 10 10 LEU HA H 1 3.95 0.02 . 1 . . . . 10 LEU HA . 15654 1 63 . 1 1 10 10 LEU HB2 H 1 1.71 0.02 . 2 . . . . 10 LEU HB2 . 15654 1 64 . 1 1 10 10 LEU HB3 H 1 1.24 0.02 . 2 . . . . 10 LEU HB3 . 15654 1 65 . 1 1 10 10 LEU C C 13 177.4 0.5 . 1 . . . . 10 LEU C . 15654 1 66 . 1 1 10 10 LEU CA C 13 57.4 0.5 . 1 . . . . 10 LEU CA . 15654 1 67 . 1 1 10 10 LEU CB C 13 40.8 0.5 . 1 . . . . 10 LEU CB . 15654 1 68 . 1 1 10 10 LEU N N 15 121.4 0.5 . 1 . . . . 10 LEU N . 15654 1 69 . 1 1 11 11 VAL H H 1 7.38 0.02 . 1 . . . . 11 VAL H . 15654 1 70 . 1 1 11 11 VAL HA H 1 3.28 0.02 . 1 . . . . 11 VAL HA . 15654 1 71 . 1 1 11 11 VAL HB H 1 2.07 0.02 . 1 . . . . 11 VAL HB . 15654 1 72 . 1 1 11 11 VAL C C 13 177.5 0.5 . 1 . . . . 11 VAL C . 15654 1 73 . 1 1 11 11 VAL CA C 13 66.7 0.5 . 1 . . . . 11 VAL CA . 15654 1 74 . 1 1 11 11 VAL CB C 13 29.4 0.5 . 1 . . . . 11 VAL CB . 15654 1 75 . 1 1 11 11 VAL N N 15 117.6 0.5 . 1 . . . . 11 VAL N . 15654 1 76 . 1 1 12 12 ASP H H 1 7.90 0.02 . 1 . . . . 12 ASP H . 15654 1 77 . 1 1 12 12 ASP HA H 1 4.32 0.02 . 1 . . . . 12 ASP HA . 15654 1 78 . 1 1 12 12 ASP HB2 H 1 2.60 0.02 . 1 . . . . 12 ASP HB2 . 15654 1 79 . 1 1 12 12 ASP HB3 H 1 2.60 0.02 . 1 . . . . 12 ASP HB3 . 15654 1 80 . 1 1 12 12 ASP C C 13 178.7 0.5 . 1 . . . . 12 ASP C . 15654 1 81 . 1 1 12 12 ASP CA C 13 57.2 0.5 . 1 . . . . 12 ASP CA . 15654 1 82 . 1 1 12 12 ASP CB C 13 40.4 0.5 . 1 . . . . 12 ASP CB . 15654 1 83 . 1 1 12 12 ASP N N 15 118.8 0.5 . 1 . . . . 12 ASP N . 15654 1 84 . 1 1 13 13 ALA H H 1 7.64 0.02 . 1 . . . . 13 ALA H . 15654 1 85 . 1 1 13 13 ALA HA H 1 4.13 0.02 . 1 . . . . 13 ALA HA . 15654 1 86 . 1 1 13 13 ALA HB1 H 1 1.36 0.02 . 1 . . . . 13 ALA HB . 15654 1 87 . 1 1 13 13 ALA HB2 H 1 1.36 0.02 . 1 . . . . 13 ALA HB . 15654 1 88 . 1 1 13 13 ALA HB3 H 1 1.36 0.02 . 1 . . . . 13 ALA HB . 15654 1 89 . 1 1 13 13 ALA C C 13 179.6 0.5 . 1 . . . . 13 ALA C . 15654 1 90 . 1 1 13 13 ALA CA C 13 55.0 0.5 . 1 . . . . 13 ALA CA . 15654 1 91 . 1 1 13 13 ALA CB C 13 18.4 0.5 . 1 . . . . 13 ALA CB . 15654 1 92 . 1 1 13 13 ALA N N 15 122.5 0.5 . 1 . . . . 13 ALA N . 15654 1 93 . 1 1 14 14 LEU H H 1 8.14 0.02 . 1 . . . . 14 LEU H . 15654 1 94 . 1 1 14 14 LEU HA H 1 3.74 0.02 . 1 . . . . 14 LEU HA . 15654 1 95 . 1 1 14 14 LEU HB2 H 1 1.13 0.02 . 2 . . . . 14 LEU HB2 . 15654 1 96 . 1 1 14 14 LEU HB3 H 1 0.47 0.02 . 2 . . . . 14 LEU HB3 . 15654 1 97 . 1 1 14 14 LEU C C 13 178.7 0.5 . 1 . . . . 14 LEU C . 15654 1 98 . 1 1 14 14 LEU CA C 13 57.6 0.5 . 1 . . . . 14 LEU CA . 15654 1 99 . 1 1 14 14 LEU CB C 13 40.8 0.5 . 1 . . . . 14 LEU CB . 15654 1 100 . 1 1 14 14 LEU N N 15 118.5 0.5 . 1 . . . . 14 LEU N . 15654 1 101 . 1 1 15 15 GLN H H 1 8.13 0.02 . 1 . . . . 15 GLN H . 15654 1 102 . 1 1 15 15 GLN HA H 1 4.10 0.02 . 1 . . . . 15 GLN HA . 15654 1 103 . 1 1 15 15 GLN HB2 H 1 2.20 0.02 . 2 . . . . 15 GLN HB2 . 15654 1 104 . 1 1 15 15 GLN HB3 H 1 2.10 0.02 . 2 . . . . 15 GLN HB3 . 15654 1 105 . 1 1 15 15 GLN C C 13 178.8 0.5 . 1 . . . . 15 GLN C . 15654 1 106 . 1 1 15 15 GLN CA C 13 58.8 0.5 . 1 . . . . 15 GLN CA . 15654 1 107 . 1 1 15 15 GLN CB C 13 28.1 0.5 . 1 . . . . 15 GLN CB . 15654 1 108 . 1 1 15 15 GLN N N 15 118.5 0.5 . 1 . . . . 15 GLN N . 15654 1 109 . 1 1 16 16 PHE H H 1 7.73 0.02 . 1 . . . . 16 PHE H . 15654 1 110 . 1 1 16 16 PHE HA H 1 4.35 0.02 . 1 . . . . 16 PHE HA . 15654 1 111 . 1 1 16 16 PHE HB2 H 1 3.23 0.02 . 1 . . . . 16 PHE HB2 . 15654 1 112 . 1 1 16 16 PHE HB3 H 1 3.23 0.02 . 1 . . . . 16 PHE HB3 . 15654 1 113 . 1 1 16 16 PHE C C 13 177.5 0.5 . 1 . . . . 16 PHE C . 15654 1 114 . 1 1 16 16 PHE CA C 13 60.4 0.5 . 1 . . . . 16 PHE CA . 15654 1 115 . 1 1 16 16 PHE CB C 13 39.1 0.5 . 1 . . . . 16 PHE CB . 15654 1 116 . 1 1 16 16 PHE N N 15 119.0 0.5 . 1 . . . . 16 PHE N . 15654 1 117 . 1 1 17 17 VAL H H 1 8.37 0.02 . 1 . . . . 17 VAL H . 15654 1 118 . 1 1 17 17 VAL HA H 1 3.58 0.02 . 1 . . . . 17 VAL HA . 15654 1 119 . 1 1 17 17 VAL HB H 1 1.99 0.02 . 1 . . . . 17 VAL HB . 15654 1 120 . 1 1 17 17 VAL C C 13 177.8 0.5 . 1 . . . . 17 VAL C . 15654 1 121 . 1 1 17 17 VAL CA C 13 65.6 0.5 . 1 . . . . 17 VAL CA . 15654 1 122 . 1 1 17 17 VAL CB C 13 32.5 0.5 . 1 . . . . 17 VAL CB . 15654 1 123 . 1 1 17 17 VAL N N 15 118.1 0.5 . 1 . . . . 17 VAL N . 15654 1 124 . 1 1 18 18 CYS H H 1 8.59 0.02 . 1 . . . . 18 CYS H . 15654 1 125 . 1 1 18 18 CYS HA H 1 4.74 0.02 . 1 . . . . 18 CYS HA . 15654 1 126 . 1 1 18 18 CYS HB2 H 1 3.24 0.02 . 2 . . . . 18 CYS HB2 . 15654 1 127 . 1 1 18 18 CYS HB3 H 1 2.84 0.02 . 2 . . . . 18 CYS HB3 . 15654 1 128 . 1 1 18 18 CYS C C 13 177.1 0.5 . 1 . . . . 18 CYS C . 15654 1 129 . 1 1 18 18 CYS CA C 13 53.9 0.5 . 1 . . . . 18 CYS CA . 15654 1 130 . 1 1 18 18 CYS CB C 13 36.6 0.5 . 1 . . . . 18 CYS CB . 15654 1 131 . 1 1 18 18 CYS N N 15 115.3 0.5 . 1 . . . . 18 CYS N . 15654 1 132 . 1 1 19 19 GLY H H 1 7.79 0.02 . 1 . . . . 19 GLY H . 15654 1 133 . 1 1 19 19 GLY HA2 H 1 3.92 0.02 . 1 . . . . 19 GLY HA2 . 15654 1 134 . 1 1 19 19 GLY HA3 H 1 3.92 0.02 . 1 . . . . 19 GLY HA3 . 15654 1 135 . 1 1 19 19 GLY C C 13 175.3 0.5 . 1 . . . . 19 GLY C . 15654 1 136 . 1 1 19 19 GLY CA C 13 46.9 0.5 . 1 . . . . 19 GLY CA . 15654 1 137 . 1 1 19 19 GLY N N 15 109.3 0.5 . 1 . . . . 19 GLY N . 15654 1 138 . 1 1 20 20 ASP H H 1 8.73 0.02 . 1 . . . . 20 ASP H . 15654 1 139 . 1 1 20 20 ASP HA H 1 4.44 0.02 . 1 . . . . 20 ASP HA . 15654 1 140 . 1 1 20 20 ASP HB2 H 1 2.69 0.02 . 1 . . . . 20 ASP HB2 . 15654 1 141 . 1 1 20 20 ASP HB3 H 1 2.69 0.02 . 1 . . . . 20 ASP HB3 . 15654 1 142 . 1 1 20 20 ASP C C 13 177.1 0.5 . 1 . . . . 20 ASP C . 15654 1 143 . 1 1 20 20 ASP CA C 13 55.2 0.5 . 1 . . . . 20 ASP CA . 15654 1 144 . 1 1 20 20 ASP CB C 13 40.4 0.5 . 1 . . . . 20 ASP CB . 15654 1 145 . 1 1 20 20 ASP N N 15 124.4 0.5 . 1 . . . . 20 ASP N . 15654 1 146 . 1 1 21 21 ARG H H 1 8.02 0.02 . 1 . . . . 21 ARG H . 15654 1 147 . 1 1 21 21 ARG HA H 1 4.08 0.02 . 1 . . . . 21 ARG HA . 15654 1 148 . 1 1 21 21 ARG HB2 H 1 2.00 0.02 . 1 . . . . 21 ARG HB2 . 15654 1 149 . 1 1 21 21 ARG HB3 H 1 2.00 0.02 . 1 . . . . 21 ARG HB3 . 15654 1 150 . 1 1 21 21 ARG C C 13 177.6 0.5 . 1 . . . . 21 ARG C . 15654 1 151 . 1 1 21 21 ARG CA C 13 57.8 0.5 . 1 . . . . 21 ARG CA . 15654 1 152 . 1 1 21 21 ARG CB C 13 30.8 0.5 . 1 . . . . 21 ARG CB . 15654 1 153 . 1 1 21 21 ARG N N 15 118.0 0.5 . 1 . . . . 21 ARG N . 15654 1 154 . 1 1 22 22 GLY H H 1 7.32 0.02 . 1 . . . . 22 GLY H . 15654 1 155 . 1 1 22 22 GLY HA2 H 1 3.99 0.02 . 2 . . . . 22 GLY HA2 . 15654 1 156 . 1 1 22 22 GLY HA3 H 1 3.71 0.02 . 2 . . . . 22 GLY HA3 . 15654 1 157 . 1 1 22 22 GLY C C 13 172.3 0.5 . 1 . . . . 22 GLY C . 15654 1 158 . 1 1 22 22 GLY CA C 13 44.4 0.5 . 1 . . . . 22 GLY CA . 15654 1 159 . 1 1 22 22 GLY N N 15 103.3 0.5 . 1 . . . . 22 GLY N . 15654 1 160 . 1 1 23 23 PHE H H 1 7.54 0.02 . 1 . . . . 23 PHE H . 15654 1 161 . 1 1 23 23 PHE HA H 1 5.11 0.02 . 1 . . . . 23 PHE HA . 15654 1 162 . 1 1 23 23 PHE HB2 H 1 3.18 0.02 . 2 . . . . 23 PHE HB2 . 15654 1 163 . 1 1 23 23 PHE HB3 H 1 2.77 0.02 . 2 . . . . 23 PHE HB3 . 15654 1 164 . 1 1 23 23 PHE C C 13 173.9 0.5 . 1 . . . . 23 PHE C . 15654 1 165 . 1 1 23 23 PHE CA C 13 56.0 0.5 . 1 . . . . 23 PHE CA . 15654 1 166 . 1 1 23 23 PHE CB C 13 41.8 0.5 . 1 . . . . 23 PHE CB . 15654 1 167 . 1 1 23 23 PHE N N 15 113.9 0.5 . 1 . . . . 23 PHE N . 15654 1 168 . 1 1 24 24 TYR H H 1 8.56 0.02 . 1 . . . . 24 TYR H . 15654 1 169 . 1 1 24 24 TYR HA H 1 4.69 0.02 . 1 . . . . 24 TYR HA . 15654 1 170 . 1 1 24 24 TYR HB2 H 1 3.09 0.02 . 2 . . . . 24 TYR HB2 . 15654 1 171 . 1 1 24 24 TYR HB3 H 1 2.91 0.02 . 2 . . . . 24 TYR HB3 . 15654 1 172 . 1 1 24 24 TYR C C 13 174.4 0.5 . 1 . . . . 24 TYR C . 15654 1 173 . 1 1 24 24 TYR CA C 13 56.7 0.5 . 1 . . . . 24 TYR CA . 15654 1 174 . 1 1 24 24 TYR CB C 13 40.1 0.5 . 1 . . . . 24 TYR CB . 15654 1 175 . 1 1 24 24 TYR N N 15 119.2 0.5 . 1 . . . . 24 TYR N . 15654 1 176 . 1 1 25 25 PHE H H 1 8.29 0.02 . 1 . . . . 25 PHE H . 15654 1 177 . 1 1 25 25 PHE HA H 1 4.67 0.02 . 1 . . . . 25 PHE HA . 15654 1 178 . 1 1 25 25 PHE HB2 H 1 3.10 0.02 . 2 . . . . 25 PHE HB2 . 15654 1 179 . 1 1 25 25 PHE HB3 H 1 2.93 0.02 . 2 . . . . 25 PHE HB3 . 15654 1 180 . 1 1 25 25 PHE C C 13 174.9 0.5 . 1 . . . . 25 PHE C . 15654 1 181 . 1 1 25 25 PHE CA C 13 57.7 0.5 . 1 . . . . 25 PHE CA . 15654 1 182 . 1 1 25 25 PHE CB C 13 40.1 0.5 . 1 . . . . 25 PHE CB . 15654 1 183 . 1 1 25 25 PHE N N 15 119.9 0.5 . 1 . . . . 25 PHE N . 15654 1 184 . 1 1 26 26 ASN H H 1 8.07 0.02 . 1 . . . . 26 ASN H . 15654 1 185 . 1 1 26 26 ASN HA H 1 4.80 0.02 . 1 . . . . 26 ASN HA . 15654 1 186 . 1 1 26 26 ASN HB2 H 1 2.67 0.02 . 1 . . . . 26 ASN HB2 . 15654 1 187 . 1 1 26 26 ASN HB3 H 1 2.67 0.02 . 1 . . . . 26 ASN HB3 . 15654 1 188 . 1 1 26 26 ASN C C 13 174.0 0.5 . 1 . . . . 26 ASN C . 15654 1 189 . 1 1 26 26 ASN CA C 13 52.6 0.5 . 1 . . . . 26 ASN CA . 15654 1 190 . 1 1 26 26 ASN CB C 13 39.6 0.5 . 1 . . . . 26 ASN CB . 15654 1 191 . 1 1 26 26 ASN N N 15 119.2 0.5 . 1 . . . . 26 ASN N . 15654 1 192 . 1 1 27 27 LYS H H 1 8.18 0.02 . 1 . . . . 27 LYS H . 15654 1 193 . 1 1 27 27 LYS HA H 1 4.16 0.02 . 1 . . . . 27 LYS HA . 15654 1 194 . 1 1 27 27 LYS HB2 H 1 1.51 0.02 . 1 . . . . 27 LYS HB2 . 15654 1 195 . 1 1 27 27 LYS HB3 H 1 1.51 0.02 . 1 . . . . 27 LYS HB3 . 15654 1 196 . 1 1 27 27 LYS CA C 13 54.3 0.5 . 1 . . . . 27 LYS CA . 15654 1 197 . 1 1 27 27 LYS N N 15 121.9 0.5 . 1 . . . . 27 LYS N . 15654 1 198 . 1 1 28 28 PRO HA H 1 4.44 0.02 . 1 . . . . 28 PRO HA . 15654 1 199 . 1 1 28 28 PRO HB2 H 1 2.17 0.02 . 2 . . . . 28 PRO HB2 . 15654 1 200 . 1 1 28 28 PRO HB3 H 1 1.87 0.02 . 2 . . . . 28 PRO HB3 . 15654 1 201 . 1 1 28 28 PRO C C 13 177.0 0.5 . 1 . . . . 28 PRO C . 15654 1 202 . 1 1 28 28 PRO CA C 13 63.2 0.5 . 1 . . . . 28 PRO CA . 15654 1 203 . 1 1 28 28 PRO CB C 13 31.8 0.5 . 1 . . . . 28 PRO CB . 15654 1 204 . 1 1 29 29 THR H H 1 8.12 0.02 . 1 . . . . 29 THR H . 15654 1 205 . 1 1 29 29 THR HA H 1 4.26 0.02 . 1 . . . . 29 THR HA . 15654 1 206 . 1 1 29 29 THR HB H 1 4.18 0.02 . 1 . . . . 29 THR HB . 15654 1 207 . 1 1 29 29 THR C C 13 175.0 0.5 . 1 . . . . 29 THR C . 15654 1 208 . 1 1 29 29 THR CA C 13 61.9 0.5 . 1 . . . . 29 THR CA . 15654 1 209 . 1 1 29 29 THR CB C 13 69.9 0.5 . 1 . . . . 29 THR CB . 15654 1 210 . 1 1 29 29 THR N N 15 113.5 0.5 . 1 . . . . 29 THR N . 15654 1 211 . 1 1 30 30 GLY H H 1 8.23 0.02 . 1 . . . . 30 GLY H . 15654 1 212 . 1 1 30 30 GLY HA2 H 1 3.88 0.02 . 1 . . . . 30 GLY HA2 . 15654 1 213 . 1 1 30 30 GLY HA3 H 1 3.88 0.02 . 1 . . . . 30 GLY HA3 . 15654 1 214 . 1 1 30 30 GLY C C 13 173.8 0.5 . 1 . . . . 30 GLY C . 15654 1 215 . 1 1 30 30 GLY CA C 13 45.2 0.5 . 1 . . . . 30 GLY CA . 15654 1 216 . 1 1 30 30 GLY N N 15 110.2 0.5 . 1 . . . . 30 GLY N . 15654 1 217 . 1 1 31 31 TYR H H 1 8.05 0.02 . 1 . . . . 31 TYR H . 15654 1 218 . 1 1 31 31 TYR HA H 1 4.53 0.02 . 1 . . . . 31 TYR HA . 15654 1 219 . 1 1 31 31 TYR HB2 H 1 2.96 0.02 . 1 . . . . 31 TYR HB2 . 15654 1 220 . 1 1 31 31 TYR HB3 H 1 2.96 0.02 . 1 . . . . 31 TYR HB3 . 15654 1 221 . 1 1 31 31 TYR C C 13 176.4 0.5 . 1 . . . . 31 TYR C . 15654 1 222 . 1 1 31 31 TYR CA C 13 58.2 0.5 . 1 . . . . 31 TYR CA . 15654 1 223 . 1 1 31 31 TYR CB C 13 38.7 0.5 . 1 . . . . 31 TYR CB . 15654 1 224 . 1 1 31 31 TYR N N 15 119.9 0.5 . 1 . . . . 31 TYR N . 15654 1 225 . 1 1 32 32 GLY H H 1 8.34 0.02 . 1 . . . . 32 GLY H . 15654 1 226 . 1 1 32 32 GLY HA2 H 1 3.89 0.02 . 1 . . . . 32 GLY HA2 . 15654 1 227 . 1 1 32 32 GLY HA3 H 1 3.89 0.02 . 1 . . . . 32 GLY HA3 . 15654 1 228 . 1 1 32 32 GLY C C 13 174.3 0.5 . 1 . . . . 32 GLY C . 15654 1 229 . 1 1 32 32 GLY CA C 13 45.3 0.5 . 1 . . . . 32 GLY CA . 15654 1 230 . 1 1 32 32 GLY N N 15 110.8 0.5 . 1 . . . . 32 GLY N . 15654 1 231 . 1 1 33 33 SER H H 1 8.14 0.02 . 1 . . . . 33 SER H . 15654 1 232 . 1 1 33 33 SER HA H 1 4.44 0.02 . 1 . . . . 33 SER HA . 15654 1 233 . 1 1 33 33 SER HB2 H 1 3.88 0.02 . 1 . . . . 33 SER HB2 . 15654 1 234 . 1 1 33 33 SER HB3 H 1 3.88 0.02 . 1 . . . . 33 SER HB3 . 15654 1 235 . 1 1 33 33 SER CA C 13 58.5 0.5 . 1 . . . . 33 SER CA . 15654 1 236 . 1 1 33 33 SER N N 15 115.5 0.5 . 1 . . . . 33 SER N . 15654 1 237 . 1 1 35 35 SER HA H 1 4.40 0.02 . 1 . . . . 35 SER HA . 15654 1 238 . 1 1 35 35 SER HB2 H 1 3.83 0.02 . 1 . . . . 35 SER HB2 . 15654 1 239 . 1 1 35 35 SER HB3 H 1 3.83 0.02 . 1 . . . . 35 SER HB3 . 15654 1 240 . 1 1 35 35 SER C C 13 174.4 0.5 . 1 . . . . 35 SER C . 15654 1 241 . 1 1 35 35 SER CA C 13 58.6 0.5 . 1 . . . . 35 SER CA . 15654 1 242 . 1 1 35 35 SER CB C 13 63.8 0.5 . 1 . . . . 35 SER CB . 15654 1 243 . 1 1 36 36 ARG H H 1 8.10 0.02 . 1 . . . . 36 ARG H . 15654 1 244 . 1 1 36 36 ARG HA H 1 4.31 0.02 . 1 . . . . 36 ARG HA . 15654 1 245 . 1 1 36 36 ARG HB2 H 1 1.82 0.02 . 2 . . . . 36 ARG HB2 . 15654 1 246 . 1 1 36 36 ARG HB3 H 1 1.74 0.02 . 2 . . . . 36 ARG HB3 . 15654 1 247 . 1 1 36 36 ARG C C 13 175.8 0.5 . 1 . . . . 36 ARG C . 15654 1 248 . 1 1 36 36 ARG CA C 13 56.1 0.5 . 1 . . . . 36 ARG CA . 15654 1 249 . 1 1 36 36 ARG CB C 13 30.4 0.5 . 1 . . . . 36 ARG CB . 15654 1 250 . 1 1 36 36 ARG N N 15 121.9 0.5 . 1 . . . . 36 ARG N . 15654 1 251 . 1 1 37 37 ARG H H 1 8.13 0.02 . 1 . . . . 37 ARG H . 15654 1 252 . 1 1 37 37 ARG HA H 1 4.29 0.02 . 1 . . . . 37 ARG HA . 15654 1 253 . 1 1 37 37 ARG HB2 H 1 1.77 0.02 . 2 . . . . 37 ARG HB2 . 15654 1 254 . 1 1 37 37 ARG HB3 H 1 1.66 0.02 . 2 . . . . 37 ARG HB3 . 15654 1 255 . 1 1 37 37 ARG C C 13 175.3 0.5 . 1 . . . . 37 ARG C . 15654 1 256 . 1 1 37 37 ARG CA C 13 55.7 0.5 . 1 . . . . 37 ARG CA . 15654 1 257 . 1 1 37 37 ARG CB C 13 30.6 0.5 . 1 . . . . 37 ARG CB . 15654 1 258 . 1 1 37 37 ARG N N 15 121.2 0.5 . 1 . . . . 37 ARG N . 15654 1 259 . 1 1 38 38 ALA H H 1 8.12 0.02 . 1 . . . . 38 ALA H . 15654 1 260 . 1 1 38 38 ALA HA H 1 4.53 0.02 . 1 . . . . 38 ALA HA . 15654 1 261 . 1 1 38 38 ALA HB1 H 1 1.28 0.02 . 1 . . . . 38 ALA HB . 15654 1 262 . 1 1 38 38 ALA HB2 H 1 1.28 0.02 . 1 . . . . 38 ALA HB . 15654 1 263 . 1 1 38 38 ALA HB3 H 1 1.28 0.02 . 1 . . . . 38 ALA HB . 15654 1 264 . 1 1 38 38 ALA C C 13 175.3 0.5 . 1 . . . . 38 ALA C . 15654 1 265 . 1 1 38 38 ALA CA C 13 50.4 0.5 . 1 . . . . 38 ALA CA . 15654 1 266 . 1 1 38 38 ALA CB C 13 18.2 0.5 . 1 . . . . 38 ALA CB . 15654 1 267 . 1 1 38 38 ALA N N 15 125.8 0.5 . 1 . . . . 38 ALA N . 15654 1 268 . 1 1 39 39 PRO HA H 1 4.38 0.02 . 1 . . . . 39 PRO HA . 15654 1 269 . 1 1 39 39 PRO HB2 H 1 2.21 0.02 . 2 . . . . 39 PRO HB2 . 15654 1 270 . 1 1 39 39 PRO HB3 H 1 1.86 0.02 . 2 . . . . 39 PRO HB3 . 15654 1 271 . 1 1 39 39 PRO C C 13 176.8 0.5 . 1 . . . . 39 PRO C . 15654 1 272 . 1 1 39 39 PRO CA C 13 63.3 0.5 . 1 . . . . 39 PRO CA . 15654 1 273 . 1 1 39 39 PRO CB C 13 31.7 0.5 . 1 . . . . 39 PRO CB . 15654 1 274 . 1 1 40 40 GLN H H 1 8.41 0.02 . 1 . . . . 40 GLN H . 15654 1 275 . 1 1 40 40 GLN HA H 1 4.36 0.02 . 1 . . . . 40 GLN HA . 15654 1 276 . 1 1 40 40 GLN HB2 H 1 2.12 0.02 . 2 . . . . 40 GLN HB2 . 15654 1 277 . 1 1 40 40 GLN HB3 H 1 1.96 0.02 . 2 . . . . 40 GLN HB3 . 15654 1 278 . 1 1 40 40 GLN C C 13 175.9 0.5 . 1 . . . . 40 GLN C . 15654 1 279 . 1 1 40 40 GLN CA C 13 55.9 0.5 . 1 . . . . 40 GLN CA . 15654 1 280 . 1 1 40 40 GLN CB C 13 29.3 0.5 . 1 . . . . 40 GLN CB . 15654 1 281 . 1 1 40 40 GLN N N 15 119.6 0.5 . 1 . . . . 40 GLN N . 15654 1 282 . 1 1 41 41 THR H H 1 8.05 0.02 . 1 . . . . 41 THR H . 15654 1 283 . 1 1 41 41 THR HA H 1 4.37 0.02 . 1 . . . . 41 THR HA . 15654 1 284 . 1 1 41 41 THR HB H 1 4.22 0.02 . 1 . . . . 41 THR HB . 15654 1 285 . 1 1 41 41 THR C C 13 174.9 0.5 . 1 . . . . 41 THR C . 15654 1 286 . 1 1 41 41 THR CA C 13 61.8 0.5 . 1 . . . . 41 THR CA . 15654 1 287 . 1 1 41 41 THR CB C 13 70.0 0.5 . 1 . . . . 41 THR CB . 15654 1 288 . 1 1 41 41 THR N N 15 113.7 0.5 . 1 . . . . 41 THR N . 15654 1 289 . 1 1 42 42 GLY H H 1 8.54 0.02 . 1 . . . . 42 GLY H . 15654 1 290 . 1 1 42 42 GLY HA2 H 1 4.09 0.02 . 1 . . . . 42 GLY HA2 . 15654 1 291 . 1 1 42 42 GLY HA3 H 1 4.09 0.02 . 1 . . . . 42 GLY HA3 . 15654 1 292 . 1 1 42 42 GLY C C 13 174.5 0.5 . 1 . . . . 42 GLY C . 15654 1 293 . 1 1 42 42 GLY CA C 13 45.6 0.5 . 1 . . . . 42 GLY CA . 15654 1 294 . 1 1 42 42 GLY N N 15 111.1 0.5 . 1 . . . . 42 GLY N . 15654 1 295 . 1 1 43 43 ILE H H 1 7.84 0.02 . 1 . . . . 43 ILE H . 15654 1 296 . 1 1 43 43 ILE HA H 1 3.92 0.02 . 1 . . . . 43 ILE HA . 15654 1 297 . 1 1 43 43 ILE HB H 1 1.34 0.02 . 1 . . . . 43 ILE HB . 15654 1 298 . 1 1 43 43 ILE C C 13 176.2 0.5 . 1 . . . . 43 ILE C . 15654 1 299 . 1 1 43 43 ILE CA C 13 62.2 0.5 . 1 . . . . 43 ILE CA . 15654 1 300 . 1 1 43 43 ILE CB C 13 37.8 0.5 . 1 . . . . 43 ILE CB . 15654 1 301 . 1 1 43 43 ILE N N 15 120.3 0.5 . 1 . . . . 43 ILE N . 15654 1 302 . 1 1 44 44 VAL H H 1 7.90 0.02 . 1 . . . . 44 VAL H . 15654 1 303 . 1 1 44 44 VAL HA H 1 3.66 0.02 . 1 . . . . 44 VAL HA . 15654 1 304 . 1 1 44 44 VAL HB H 1 1.94 0.02 . 1 . . . . 44 VAL HB . 15654 1 305 . 1 1 44 44 VAL C C 13 177.0 0.5 . 1 . . . . 44 VAL C . 15654 1 306 . 1 1 44 44 VAL CA C 13 64.6 0.5 . 1 . . . . 44 VAL CA . 15654 1 307 . 1 1 44 44 VAL CB C 13 31.5 0.5 . 1 . . . . 44 VAL CB . 15654 1 308 . 1 1 44 44 VAL N N 15 121.8 0.5 . 1 . . . . 44 VAL N . 15654 1 309 . 1 1 45 45 ASP H H 1 7.80 0.02 . 1 . . . . 45 ASP H . 15654 1 310 . 1 1 45 45 ASP HA H 1 4.39 0.02 . 1 . . . . 45 ASP HA . 15654 1 311 . 1 1 45 45 ASP HB2 H 1 2.63 0.02 . 1 . . . . 45 ASP HB2 . 15654 1 312 . 1 1 45 45 ASP HB3 H 1 2.63 0.02 . 1 . . . . 45 ASP HB3 . 15654 1 313 . 1 1 45 45 ASP C C 13 177.2 0.5 . 1 . . . . 45 ASP C . 15654 1 314 . 1 1 45 45 ASP CA C 13 56.2 0.5 . 1 . . . . 45 ASP CA . 15654 1 315 . 1 1 45 45 ASP CB C 13 41.3 0.5 . 1 . . . . 45 ASP CB . 15654 1 316 . 1 1 45 45 ASP N N 15 121.1 0.5 . 1 . . . . 45 ASP N . 15654 1 317 . 1 1 46 46 GLU H H 1 7.96 0.02 . 1 . . . . 46 GLU H . 15654 1 318 . 1 1 46 46 GLU HA H 1 4.04 0.02 . 1 . . . . 46 GLU HA . 15654 1 319 . 1 1 46 46 GLU HB2 H 1 2.03 0.02 . 1 . . . . 46 GLU HB2 . 15654 1 320 . 1 1 46 46 GLU HB3 H 1 2.03 0.02 . 1 . . . . 46 GLU HB3 . 15654 1 321 . 1 1 46 46 GLU C C 13 177.4 0.5 . 1 . . . . 46 GLU C . 15654 1 322 . 1 1 46 46 GLU CA C 13 59.0 0.5 . 1 . . . . 46 GLU CA . 15654 1 323 . 1 1 46 46 GLU CB C 13 30.3 0.5 . 1 . . . . 46 GLU CB . 15654 1 324 . 1 1 46 46 GLU N N 15 118.1 0.5 . 1 . . . . 46 GLU N . 15654 1 325 . 1 1 47 47 CYS H H 1 8.23 0.02 . 1 . . . . 47 CYS H . 15654 1 326 . 1 1 47 47 CYS HA H 1 4.79 0.02 . 1 . . . . 47 CYS HA . 15654 1 327 . 1 1 47 47 CYS HB2 H 1 3.24 0.02 . 2 . . . . 47 CYS HB2 . 15654 1 328 . 1 1 47 47 CYS HB3 H 1 2.98 0.02 . 2 . . . . 47 CYS HB3 . 15654 1 329 . 1 1 47 47 CYS C C 13 174.5 0.5 . 1 . . . . 47 CYS C . 15654 1 330 . 1 1 47 47 CYS CA C 13 56.9 0.5 . 1 . . . . 47 CYS CA . 15654 1 331 . 1 1 47 47 CYS CB C 13 42.8 0.5 . 1 . . . . 47 CYS CB . 15654 1 332 . 1 1 47 47 CYS N N 15 113.5 0.5 . 1 . . . . 47 CYS N . 15654 1 333 . 1 1 48 48 CYS H H 1 7.94 0.02 . 1 . . . . 48 CYS H . 15654 1 334 . 1 1 48 48 CYS HA H 1 4.51 0.02 . 1 . . . . 48 CYS HA . 15654 1 335 . 1 1 48 48 CYS HB2 H 1 3.23 0.02 . 2 . . . . 48 CYS HB2 . 15654 1 336 . 1 1 48 48 CYS HB3 H 1 2.70 0.02 . 2 . . . . 48 CYS HB3 . 15654 1 337 . 1 1 48 48 CYS C C 13 174.7 0.5 . 1 . . . . 48 CYS C . 15654 1 338 . 1 1 48 48 CYS CA C 13 56.9 0.5 . 1 . . . . 48 CYS CA . 15654 1 339 . 1 1 48 48 CYS CB C 13 40.9 0.5 . 1 . . . . 48 CYS CB . 15654 1 340 . 1 1 48 48 CYS N N 15 116.4 0.5 . 1 . . . . 48 CYS N . 15654 1 341 . 1 1 49 49 PHE H H 1 7.87 0.02 . 1 . . . . 49 PHE H . 15654 1 342 . 1 1 49 49 PHE HA H 1 4.65 0.02 . 1 . . . . 49 PHE HA . 15654 1 343 . 1 1 49 49 PHE HB2 H 1 3.32 0.02 . 2 . . . . 49 PHE HB2 . 15654 1 344 . 1 1 49 49 PHE HB3 H 1 3.03 0.02 . 2 . . . . 49 PHE HB3 . 15654 1 345 . 1 1 49 49 PHE C C 13 175.5 0.5 . 1 . . . . 49 PHE C . 15654 1 346 . 1 1 49 49 PHE CA C 13 57.8 0.5 . 1 . . . . 49 PHE CA . 15654 1 347 . 1 1 49 49 PHE CB C 13 39.1 0.5 . 1 . . . . 49 PHE CB . 15654 1 348 . 1 1 49 49 PHE N N 15 116.3 0.5 . 1 . . . . 49 PHE N . 15654 1 349 . 1 1 50 50 ARG H H 1 7.75 0.02 . 1 . . . . 50 ARG H . 15654 1 350 . 1 1 50 50 ARG HA H 1 4.45 0.02 . 1 . . . . 50 ARG HA . 15654 1 351 . 1 1 50 50 ARG HB2 H 1 1.85 0.02 . 1 . . . . 50 ARG HB2 . 15654 1 352 . 1 1 50 50 ARG HB3 H 1 1.85 0.02 . 1 . . . . 50 ARG HB3 . 15654 1 353 . 1 1 50 50 ARG C C 13 173.8 0.5 . 1 . . . . 50 ARG C . 15654 1 354 . 1 1 50 50 ARG CA C 13 55.2 0.5 . 1 . . . . 50 ARG CA . 15654 1 355 . 1 1 50 50 ARG CB C 13 31.7 0.5 . 1 . . . . 50 ARG CB . 15654 1 356 . 1 1 50 50 ARG N N 15 118.4 0.5 . 1 . . . . 50 ARG N . 15654 1 357 . 1 1 51 51 SER H H 1 7.87 0.02 . 1 . . . . 51 SER H . 15654 1 358 . 1 1 51 51 SER HA H 1 4.45 0.02 . 1 . . . . 51 SER HA . 15654 1 359 . 1 1 51 51 SER HB2 H 1 3.77 0.02 . 1 . . . . 51 SER HB2 . 15654 1 360 . 1 1 51 51 SER HB3 H 1 3.77 0.02 . 1 . . . . 51 SER HB3 . 15654 1 361 . 1 1 51 51 SER C C 13 174.1 0.5 . 1 . . . . 51 SER C . 15654 1 362 . 1 1 51 51 SER CA C 13 58.4 0.5 . 1 . . . . 51 SER CA . 15654 1 363 . 1 1 51 51 SER CB C 13 63.8 0.5 . 1 . . . . 51 SER CB . 15654 1 364 . 1 1 51 51 SER N N 15 112.5 0.5 . 1 . . . . 51 SER N . 15654 1 365 . 1 1 52 52 CYS H H 1 8.89 0.02 . 1 . . . . 52 CYS H . 15654 1 366 . 1 1 52 52 CYS HA H 1 4.81 0.02 . 1 . . . . 52 CYS HA . 15654 1 367 . 1 1 52 52 CYS HB2 H 1 3.27 0.02 . 2 . . . . 52 CYS HB2 . 15654 1 368 . 1 1 52 52 CYS HB3 H 1 3.15 0.02 . 2 . . . . 52 CYS HB3 . 15654 1 369 . 1 1 52 52 CYS C C 13 172.4 0.5 . 1 . . . . 52 CYS C . 15654 1 370 . 1 1 52 52 CYS CA C 13 53.2 0.5 . 1 . . . . 52 CYS CA . 15654 1 371 . 1 1 52 52 CYS CB C 13 43.9 0.5 . 1 . . . . 52 CYS CB . 15654 1 372 . 1 1 52 52 CYS N N 15 121.9 0.5 . 1 . . . . 52 CYS N . 15654 1 373 . 1 1 53 53 ASP H H 1 8.20 0.02 . 1 . . . . 53 ASP H . 15654 1 374 . 1 1 53 53 ASP HA H 1 4.63 0.02 . 1 . . . . 53 ASP HA . 15654 1 375 . 1 1 53 53 ASP HB2 H 1 2.75 0.02 . 1 . . . . 53 ASP HB2 . 15654 1 376 . 1 1 53 53 ASP HB3 H 1 2.75 0.02 . 1 . . . . 53 ASP HB3 . 15654 1 377 . 1 1 53 53 ASP C C 13 176.3 0.5 . 1 . . . . 53 ASP C . 15654 1 378 . 1 1 53 53 ASP CA C 13 52.9 0.5 . 1 . . . . 53 ASP CA . 15654 1 379 . 1 1 53 53 ASP CB C 13 41.8 0.5 . 1 . . . . 53 ASP CB . 15654 1 380 . 1 1 53 53 ASP N N 15 122.0 0.5 . 1 . . . . 53 ASP N . 15654 1 381 . 1 1 54 54 LEU H H 1 8.39 0.02 . 1 . . . . 54 LEU H . 15654 1 382 . 1 1 54 54 LEU HA H 1 3.96 0.02 . 1 . . . . 54 LEU HA . 15654 1 383 . 1 1 54 54 LEU HB2 H 1 1.73 0.02 . 2 . . . . 54 LEU HB2 . 15654 1 384 . 1 1 54 54 LEU HB3 H 1 1.56 0.02 . 2 . . . . 54 LEU HB3 . 15654 1 385 . 1 1 54 54 LEU C C 13 178.8 0.5 . 1 . . . . 54 LEU C . 15654 1 386 . 1 1 54 54 LEU CA C 13 58.0 0.5 . 1 . . . . 54 LEU CA . 15654 1 387 . 1 1 54 54 LEU CB C 13 41.5 0.5 . 1 . . . . 54 LEU CB . 15654 1 388 . 1 1 54 54 LEU N N 15 123.1 0.5 . 1 . . . . 54 LEU N . 15654 1 389 . 1 1 55 55 ARG H H 1 8.11 0.02 . 1 . . . . 55 ARG H . 15654 1 390 . 1 1 55 55 ARG HA H 1 4.08 0.02 . 1 . . . . 55 ARG HA . 15654 1 391 . 1 1 55 55 ARG HB2 H 1 1.85 0.02 . 1 . . . . 55 ARG HB2 . 15654 1 392 . 1 1 55 55 ARG HB3 H 1 1.85 0.02 . 1 . . . . 55 ARG HB3 . 15654 1 393 . 1 1 55 55 ARG C C 13 179.1 0.5 . 1 . . . . 55 ARG C . 15654 1 394 . 1 1 55 55 ARG CA C 13 58.6 0.5 . 1 . . . . 55 ARG CA . 15654 1 395 . 1 1 55 55 ARG CB C 13 29.3 0.5 . 1 . . . . 55 ARG CB . 15654 1 396 . 1 1 55 55 ARG N N 15 116.8 0.5 . 1 . . . . 55 ARG N . 15654 1 397 . 1 1 56 56 ARG H H 1 7.89 0.02 . 1 . . . . 56 ARG H . 15654 1 398 . 1 1 56 56 ARG HA H 1 4.18 0.02 . 1 . . . . 56 ARG HA . 15654 1 399 . 1 1 56 56 ARG HB2 H 1 1.98 0.02 . 1 . . . . 56 ARG HB2 . 15654 1 400 . 1 1 56 56 ARG HB3 H 1 1.98 0.02 . 1 . . . . 56 ARG HB3 . 15654 1 401 . 1 1 56 56 ARG C C 13 178.3 0.5 . 1 . . . . 56 ARG C . 15654 1 402 . 1 1 56 56 ARG CA C 13 57.4 0.5 . 1 . . . . 56 ARG CA . 15654 1 403 . 1 1 56 56 ARG CB C 13 29.5 0.5 . 1 . . . . 56 ARG CB . 15654 1 404 . 1 1 56 56 ARG N N 15 118.9 0.5 . 1 . . . . 56 ARG N . 15654 1 405 . 1 1 57 57 LEU H H 1 7.77 0.02 . 1 . . . . 57 LEU H . 15654 1 406 . 1 1 57 57 LEU HA H 1 4.11 0.02 . 1 . . . . 57 LEU HA . 15654 1 407 . 1 1 57 57 LEU HB2 H 1 1.92 0.02 . 2 . . . . 57 LEU HB2 . 15654 1 408 . 1 1 57 57 LEU HB3 H 1 1.48 0.02 . 2 . . . . 57 LEU HB3 . 15654 1 409 . 1 1 57 57 LEU C C 13 177.8 0.5 . 1 . . . . 57 LEU C . 15654 1 410 . 1 1 57 57 LEU CA C 13 57.6 0.5 . 1 . . . . 57 LEU CA . 15654 1 411 . 1 1 57 57 LEU CB C 13 41.7 0.5 . 1 . . . . 57 LEU CB . 15654 1 412 . 1 1 57 57 LEU N N 15 117.9 0.5 . 1 . . . . 57 LEU N . 15654 1 413 . 1 1 58 58 GLU H H 1 7.72 0.02 . 1 . . . . 58 GLU H . 15654 1 414 . 1 1 58 58 GLU HA H 1 4.21 0.02 . 1 . . . . 58 GLU HA . 15654 1 415 . 1 1 58 58 GLU HB2 H 1 2.00 0.02 . 1 . . . . 58 GLU HB2 . 15654 1 416 . 1 1 58 58 GLU HB3 H 1 2.00 0.02 . 1 . . . . 58 GLU HB3 . 15654 1 417 . 1 1 58 58 GLU C C 13 178.6 0.5 . 1 . . . . 58 GLU C . 15654 1 418 . 1 1 58 58 GLU CA C 13 58.2 0.5 . 1 . . . . 58 GLU CA . 15654 1 419 . 1 1 58 58 GLU CB C 13 29.1 0.5 . 1 . . . . 58 GLU CB . 15654 1 420 . 1 1 58 58 GLU N N 15 115.8 0.5 . 1 . . . . 58 GLU N . 15654 1 421 . 1 1 59 59 MET H H 1 7.51 0.02 . 1 . . . . 59 MET H . 15654 1 422 . 1 1 59 59 MET HA H 1 4.18 0.02 . 1 . . . . 59 MET HA . 15654 1 423 . 1 1 59 59 MET HB2 H 1 2.03 0.02 . 2 . . . . 59 MET HB2 . 15654 1 424 . 1 1 59 59 MET HB3 H 1 1.89 0.02 . 2 . . . . 59 MET HB3 . 15654 1 425 . 1 1 59 59 MET C C 13 176.6 0.5 . 1 . . . . 59 MET C . 15654 1 426 . 1 1 59 59 MET CA C 13 57.4 0.5 . 1 . . . . 59 MET CA . 15654 1 427 . 1 1 59 59 MET CB C 13 31.6 0.5 . 1 . . . . 59 MET CB . 15654 1 428 . 1 1 59 59 MET N N 15 116.4 0.5 . 1 . . . . 59 MET N . 15654 1 429 . 1 1 60 60 TYR H H 1 7.94 0.02 . 1 . . . . 60 TYR H . 15654 1 430 . 1 1 60 60 TYR HA H 1 4.47 0.02 . 1 . . . . 60 TYR HA . 15654 1 431 . 1 1 60 60 TYR HB2 H 1 3.50 0.02 . 2 . . . . 60 TYR HB2 . 15654 1 432 . 1 1 60 60 TYR HB3 H 1 2.87 0.02 . 2 . . . . 60 TYR HB3 . 15654 1 433 . 1 1 60 60 TYR C C 13 175.5 0.5 . 1 . . . . 60 TYR C . 15654 1 434 . 1 1 60 60 TYR CA C 13 59.1 0.5 . 1 . . . . 60 TYR CA . 15654 1 435 . 1 1 60 60 TYR CB C 13 38.0 0.5 . 1 . . . . 60 TYR CB . 15654 1 436 . 1 1 60 60 TYR N N 15 117.2 0.5 . 1 . . . . 60 TYR N . 15654 1 437 . 1 1 61 61 CYS H H 1 7.44 0.02 . 1 . . . . 61 CYS H . 15654 1 438 . 1 1 61 61 CYS HA H 1 5.07 0.02 . 1 . . . . 61 CYS HA . 15654 1 439 . 1 1 61 61 CYS HB2 H 1 3.14 0.02 . 2 . . . . 61 CYS HB2 . 15654 1 440 . 1 1 61 61 CYS HB3 H 1 2.74 0.02 . 2 . . . . 61 CYS HB3 . 15654 1 441 . 1 1 61 61 CYS C C 13 175.2 0.5 . 1 . . . . 61 CYS C . 15654 1 442 . 1 1 61 61 CYS CA C 13 53.0 0.5 . 1 . . . . 61 CYS CA . 15654 1 443 . 1 1 61 61 CYS CB C 13 35.4 0.5 . 1 . . . . 61 CYS CB . 15654 1 444 . 1 1 61 61 CYS N N 15 115.8 0.5 . 1 . . . . 61 CYS N . 15654 1 445 . 1 1 62 62 ALA H H 1 8.21 0.02 . 1 . . . . 62 ALA H . 15654 1 446 . 1 1 62 62 ALA HA H 1 4.32 0.02 . 1 . . . . 62 ALA HA . 15654 1 447 . 1 1 62 62 ALA HB1 H 1 1.18 0.02 . 1 . . . . 62 ALA HB . 15654 1 448 . 1 1 62 62 ALA HB2 H 1 1.18 0.02 . 1 . . . . 62 ALA HB . 15654 1 449 . 1 1 62 62 ALA HB3 H 1 1.18 0.02 . 1 . . . . 62 ALA HB . 15654 1 450 . 1 1 62 62 ALA C C 13 174.7 0.5 . 1 . . . . 62 ALA C . 15654 1 451 . 1 1 62 62 ALA CA C 13 51.0 0.5 . 1 . . . . 62 ALA CA . 15654 1 452 . 1 1 62 62 ALA CB C 13 17.2 0.5 . 1 . . . . 62 ALA CB . 15654 1 453 . 1 1 62 62 ALA N N 15 126.6 0.5 . 1 . . . . 62 ALA N . 15654 1 454 . 1 1 63 63 PRO HA H 1 4.37 0.02 . 1 . . . . 63 PRO HA . 15654 1 455 . 1 1 63 63 PRO HB2 H 1 2.24 0.02 . 2 . . . . 63 PRO HB2 . 15654 1 456 . 1 1 63 63 PRO HB3 H 1 1.81 0.02 . 2 . . . . 63 PRO HB3 . 15654 1 457 . 1 1 63 63 PRO C C 13 176.6 0.5 . 1 . . . . 63 PRO C . 15654 1 458 . 1 1 63 63 PRO CA C 13 62.9 0.5 . 1 . . . . 63 PRO CA . 15654 1 459 . 1 1 63 63 PRO CB C 13 31.9 0.5 . 1 . . . . 63 PRO CB . 15654 1 460 . 1 1 64 64 LEU H H 1 8.19 0.02 . 1 . . . . 64 LEU H . 15654 1 461 . 1 1 64 64 LEU HA H 1 4.19 0.02 . 1 . . . . 64 LEU HA . 15654 1 462 . 1 1 64 64 LEU HB2 H 1 1.51 0.02 . 1 . . . . 64 LEU HB2 . 15654 1 463 . 1 1 64 64 LEU HB3 H 1 1.51 0.02 . 1 . . . . 64 LEU HB3 . 15654 1 464 . 1 1 64 64 LEU C C 13 176.9 0.5 . 1 . . . . 64 LEU C . 15654 1 465 . 1 1 64 64 LEU CA C 13 55.3 0.5 . 1 . . . . 64 LEU CA . 15654 1 466 . 1 1 64 64 LEU CB C 13 42.8 0.5 . 1 . . . . 64 LEU CB . 15654 1 467 . 1 1 64 64 LEU N N 15 121.9 0.5 . 1 . . . . 64 LEU N . 15654 1 468 . 1 1 65 65 LYS H H 1 8.27 0.02 . 1 . . . . 65 LYS H . 15654 1 469 . 1 1 65 65 LYS HA H 1 4.55 0.02 . 1 . . . . 65 LYS HA . 15654 1 470 . 1 1 65 65 LYS HB2 H 1 1.69 0.02 . 1 . . . . 65 LYS HB2 . 15654 1 471 . 1 1 65 65 LYS HB3 H 1 1.69 0.02 . 1 . . . . 65 LYS HB3 . 15654 1 472 . 1 1 65 65 LYS C C 13 174.2 0.5 . 1 . . . . 65 LYS C . 15654 1 473 . 1 1 65 65 LYS CA C 13 53.9 0.5 . 1 . . . . 65 LYS CA . 15654 1 474 . 1 1 65 65 LYS N N 15 123.5 0.5 . 1 . . . . 65 LYS N . 15654 1 475 . 1 1 66 66 PRO HA H 1 4.35 0.02 . 1 . . . . 66 PRO HA . 15654 1 476 . 1 1 66 66 PRO HB2 H 1 2.25 0.02 . 2 . . . . 66 PRO HB2 . 15654 1 477 . 1 1 66 66 PRO HB3 H 1 1.86 0.02 . 2 . . . . 66 PRO HB3 . 15654 1 478 . 1 1 66 66 PRO C C 13 176.5 0.5 . 1 . . . . 66 PRO C . 15654 1 479 . 1 1 66 66 PRO CA C 13 62.9 0.5 . 1 . . . . 66 PRO CA . 15654 1 480 . 1 1 66 66 PRO CB C 13 31.9 0.5 . 1 . . . . 66 PRO CB . 15654 1 481 . 1 1 67 67 ALA H H 1 8.29 0.02 . 1 . . . . 67 ALA H . 15654 1 482 . 1 1 67 67 ALA HA H 1 4.26 0.02 . 1 . . . . 67 ALA HA . 15654 1 483 . 1 1 67 67 ALA HB1 H 1 1.36 0.02 . 1 . . . . 67 ALA HB . 15654 1 484 . 1 1 67 67 ALA HB2 H 1 1.36 0.02 . 1 . . . . 67 ALA HB . 15654 1 485 . 1 1 67 67 ALA HB3 H 1 1.36 0.02 . 1 . . . . 67 ALA HB . 15654 1 486 . 1 1 67 67 ALA C C 13 177.6 0.5 . 1 . . . . 67 ALA C . 15654 1 487 . 1 1 67 67 ALA CA C 13 52.3 0.5 . 1 . . . . 67 ALA CA . 15654 1 488 . 1 1 67 67 ALA CB C 13 19.2 0.5 . 1 . . . . 67 ALA CB . 15654 1 489 . 1 1 67 67 ALA N N 15 124.5 0.5 . 1 . . . . 67 ALA N . 15654 1 490 . 1 1 68 68 LYS H H 1 8.17 0.02 . 1 . . . . 68 LYS H . 15654 1 491 . 1 1 68 68 LYS HA H 1 4.33 0.02 . 1 . . . . 68 LYS HA . 15654 1 492 . 1 1 68 68 LYS HB2 H 1 1.78 0.02 . 1 . . . . 68 LYS HB2 . 15654 1 493 . 1 1 68 68 LYS HB3 H 1 1.78 0.02 . 1 . . . . 68 LYS HB3 . 15654 1 494 . 1 1 68 68 LYS C C 13 176.3 0.5 . 1 . . . . 68 LYS C . 15654 1 495 . 1 1 68 68 LYS CA C 13 56.1 0.5 . 1 . . . . 68 LYS CA . 15654 1 496 . 1 1 68 68 LYS CB C 13 33.3 0.5 . 1 . . . . 68 LYS CB . 15654 1 497 . 1 1 68 68 LYS N N 15 120.1 0.5 . 1 . . . . 68 LYS N . 15654 1 498 . 1 1 69 69 SER H H 1 8.27 0.02 . 1 . . . . 69 SER H . 15654 1 499 . 1 1 69 69 SER HA H 1 4.41 0.02 . 1 . . . . 69 SER HA . 15654 1 500 . 1 1 69 69 SER HB2 H 1 3.82 0.02 . 1 . . . . 69 SER HB2 . 15654 1 501 . 1 1 69 69 SER HB3 H 1 3.82 0.02 . 1 . . . . 69 SER HB3 . 15654 1 502 . 1 1 69 69 SER C C 13 173.1 0.5 . 1 . . . . 69 SER C . 15654 1 503 . 1 1 69 69 SER CA C 13 58.2 0.5 . 1 . . . . 69 SER CA . 15654 1 504 . 1 1 69 69 SER CB C 13 64.1 0.5 . 1 . . . . 69 SER CB . 15654 1 505 . 1 1 69 69 SER N N 15 117.9 0.5 . 1 . . . . 69 SER N . 15654 1 506 . 1 1 70 70 ALA H H 1 7.90 0.02 . 1 . . . . 70 ALA H . 15654 1 507 . 1 1 70 70 ALA HA H 1 4.09 0.02 . 1 . . . . 70 ALA HA . 15654 1 508 . 1 1 70 70 ALA HB1 H 1 1.28 0.02 . 1 . . . . 70 ALA HB3 . 15654 1 509 . 1 1 70 70 ALA HB2 H 1 1.28 0.02 . 1 . . . . 70 ALA HB2 . 15654 1 510 . 1 1 70 70 ALA HB3 H 1 1.28 0.02 . 1 . . . . 70 ALA HB3 . 15654 1 511 . 1 1 70 70 ALA C C 13 182.3 0.5 . 1 . . . . 70 ALA C . 15654 1 512 . 1 1 70 70 ALA CA C 13 53.8 0.5 . 1 . . . . 70 ALA CA . 15654 1 513 . 1 1 70 70 ALA N N 15 131.1 0.5 . 1 . . . . 70 ALA N . 15654 1 stop_ save_