################################### # 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 18422 _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 '3D HNCACB' . . . 18422 1 2 '3D CBCA(CO)NH' . . . 18422 1 3 '3D HN(CO)CA' . . . 18422 1 4 '3D HNCO' . . . 18422 1 5 '2D 1H-15N HSQC' . . . 18422 1 6 '3D 1H-15N NOESY' . . . 18422 1 7 '3D 1H-15N TOCSY' . . . 18422 1 8 '2D DQF-COSY' . . . 18422 1 9 '2D 1H-1H NOESY' . . . 18422 1 10 '2D 1H-1H TOCSY' . . . 18422 1 11 '2D DQF-COSY' . . . 18422 1 12 '2D 1H-1H NOESY' . . . 18422 1 13 '2D 1H-1H TOCSY' . . . 18422 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 2 2 2 SER H H 1 8.88 0.01 . 1 . . . . 3 SER H . 18422 1 2 . 1 2 2 2 SER C C 13 174.4 0.3 . 1 . . . . 3 SER C . 18422 1 3 . 1 2 2 2 SER CA C 13 57.4 0.3 . 1 . . . . 3 SER CA . 18422 1 4 . 1 2 2 2 SER CB C 13 65.5 0.3 . 1 . . . . 3 SER CB . 18422 1 5 . 1 2 2 2 SER N N 15 117.7 0.1 . 1 . . . . 3 SER N . 18422 1 6 . 1 2 3 3 LEU H H 1 9.21 0.01 . 1 . . . . 4 LEU H . 18422 1 7 . 1 2 3 3 LEU HA H 1 3.94 0.01 . 1 . . . . 4 LEU HA . 18422 1 8 . 1 2 3 3 LEU C C 13 177.2 0.3 . 1 . . . . 4 LEU C . 18422 1 9 . 1 2 3 3 LEU CA C 13 58.7 0.3 . 1 . . . . 4 LEU CA . 18422 1 10 . 1 2 3 3 LEU CB C 13 40.7 0.3 . 1 . . . . 4 LEU CB . 18422 1 11 . 1 2 3 3 LEU N N 15 124.8 0.1 . 1 . . . . 4 LEU N . 18422 1 12 . 1 2 4 4 TYR H H 1 8.37 0.01 . 1 . . . . 5 TYR H . 18422 1 13 . 1 2 4 4 TYR HA H 1 3.93 0.01 . 1 . . . . 5 TYR HA . 18422 1 14 . 1 2 4 4 TYR HD1 H 1 7.02 0.01 . 3 . . . . 5 TYR HD1 . 18422 1 15 . 1 2 4 4 TYR HD2 H 1 7.02 0.01 . 3 . . . . 5 TYR HD2 . 18422 1 16 . 1 2 4 4 TYR HE1 H 1 6.83 0.01 . 3 . . . . 5 TYR HE1 . 18422 1 17 . 1 2 4 4 TYR HE2 H 1 6.83 0.01 . 3 . . . . 5 TYR HE2 . 18422 1 18 . 1 2 4 4 TYR C C 13 176.3 0.3 . 1 . . . . 5 TYR C . 18422 1 19 . 1 2 4 4 TYR CA C 13 61.7 0.3 . 1 . . . . 5 TYR CA . 18422 1 20 . 1 2 4 4 TYR CB C 13 39.2 0.3 . 1 . . . . 5 TYR CB . 18422 1 21 . 1 2 4 4 TYR N N 15 116.6 0.1 . 1 . . . . 5 TYR N . 18422 1 22 . 1 2 5 5 GLU H H 1 7.97 0.01 . 1 . . . . 6 GLU H . 18422 1 23 . 1 2 5 5 GLU HA H 1 3.71 0.01 . 1 . . . . 6 GLU HA . 18422 1 24 . 1 2 5 5 GLU HG2 H 1 2.38 0.01 . 2 . . . . 6 GLU HG2 . 18422 1 25 . 1 2 5 5 GLU C C 13 180.9 0.3 . 1 . . . . 6 GLU C . 18422 1 26 . 1 2 5 5 GLU CA C 13 59.6 0.3 . 1 . . . . 6 GLU CA . 18422 1 27 . 1 2 5 5 GLU CB C 13 29.9 0.3 . 1 . . . . 6 GLU CB . 18422 1 28 . 1 2 5 5 GLU N N 15 118.8 0.1 . 1 . . . . 6 GLU N . 18422 1 29 . 1 2 6 6 LYS H H 1 8.62 0.01 . 1 . . . . 7 LYS H . 18422 1 30 . 1 2 6 6 LYS HA H 1 3.89 0.01 . 1 . . . . 7 LYS HA . 18422 1 31 . 1 2 6 6 LYS C C 13 178.8 0.3 . 1 . . . . 7 LYS C . 18422 1 32 . 1 2 6 6 LYS CA C 13 60.1 0.3 . 1 . . . . 7 LYS CA . 18422 1 33 . 1 2 6 6 LYS CB C 13 32.7 0.3 . 1 . . . . 7 LYS CB . 18422 1 34 . 1 2 6 6 LYS N N 15 122.0 0.1 . 1 . . . . 7 LYS N . 18422 1 35 . 1 2 7 7 LEU H H 1 8.24 0.01 . 1 . . . . 8 LEU H . 18422 1 36 . 1 2 7 7 LEU HA H 1 3.87 0.01 . 1 . . . . 8 LEU HA . 18422 1 37 . 1 2 7 7 LEU C C 13 175.9 0.3 . 1 . . . . 8 LEU C . 18422 1 38 . 1 2 7 7 LEU CA C 13 56.3 0.3 . 1 . . . . 8 LEU CA . 18422 1 39 . 1 2 7 7 LEU CB C 13 43.4 0.3 . 1 . . . . 8 LEU CB . 18422 1 40 . 1 2 7 7 LEU N N 15 116.9 0.1 . 1 . . . . 8 LEU N . 18422 1 41 . 1 2 8 8 GLY H H 1 7.29 0.01 . 1 . . . . 9 GLY H . 18422 1 42 . 1 2 8 8 GLY HA2 H 1 3.53 0.01 . 2 . . . . 9 GLY HA2 . 18422 1 43 . 1 2 8 8 GLY HA3 H 1 4.41 0.01 . 2 . . . . 9 GLY HA3 . 18422 1 44 . 1 2 8 8 GLY C C 13 175.5 0.3 . 1 . . . . 9 GLY C . 18422 1 45 . 1 2 8 8 GLY CA C 13 44.0 0.3 . 1 . . . . 9 GLY CA . 18422 1 46 . 1 2 8 8 GLY N N 15 101.0 0.1 . 1 . . . . 9 GLY N . 18422 1 47 . 1 2 9 9 GLY H H 1 8.18 0.01 . 1 . . . . 10 GLY H . 18422 1 48 . 1 2 9 9 GLY HA2 H 1 3.57 0.01 . 2 . . . . 10 GLY HA2 . 18422 1 49 . 1 2 9 9 GLY HA3 H 1 1.90 0.01 . 2 . . . . 10 GLY HA3 . 18422 1 50 . 1 2 9 9 GLY C C 13 173.6 0.3 . 1 . . . . 10 GLY C . 18422 1 51 . 1 2 9 9 GLY CA C 13 44.5 0.3 . 1 . . . . 10 GLY CA . 18422 1 52 . 1 2 9 9 GLY N N 15 110.4 0.1 . 1 . . . . 10 GLY N . 18422 1 53 . 1 2 10 10 ALA H H 1 8.54 0.01 . 1 . . . . 11 ALA H . 18422 1 54 . 1 2 10 10 ALA HA H 1 3.92 0.01 . 1 . . . . 11 ALA HA . 18422 1 55 . 1 2 10 10 ALA HB1 H 1 1.52 0.01 . 1 . . . . 11 ALA HB . 18422 1 56 . 1 2 10 10 ALA HB2 H 1 1.52 0.01 . 1 . . . . 11 ALA HB . 18422 1 57 . 1 2 10 10 ALA HB3 H 1 1.52 0.01 . 1 . . . . 11 ALA HB . 18422 1 58 . 1 2 10 10 ALA C C 13 180.3 0.3 . 1 . . . . 11 ALA C . 18422 1 59 . 1 2 10 10 ALA CA C 13 56.2 0.3 . 1 . . . . 11 ALA CA . 18422 1 60 . 1 2 10 10 ALA CB C 13 18.6 0.3 . 1 . . . . 11 ALA CB . 18422 1 61 . 1 2 10 10 ALA N N 15 125.8 0.1 . 1 . . . . 11 ALA N . 18422 1 62 . 1 2 11 11 ALA H H 1 8.77 0.01 . 1 . . . . 12 ALA H . 18422 1 63 . 1 2 11 11 ALA HA H 1 4.13 0.01 . 1 . . . . 12 ALA HA . 18422 1 64 . 1 2 11 11 ALA HB1 H 1 1.42 0.01 . 1 . . . . 12 ALA HB . 18422 1 65 . 1 2 11 11 ALA HB2 H 1 1.42 0.01 . 1 . . . . 12 ALA HB . 18422 1 66 . 1 2 11 11 ALA HB3 H 1 1.42 0.01 . 1 . . . . 12 ALA HB . 18422 1 67 . 1 2 11 11 ALA C C 13 180.2 0.3 . 1 . . . . 12 ALA C . 18422 1 68 . 1 2 11 11 ALA CA C 13 54.8 0.3 . 1 . . . . 12 ALA CA . 18422 1 69 . 1 2 11 11 ALA CB C 13 18.4 0.3 . 1 . . . . 12 ALA CB . 18422 1 70 . 1 2 11 11 ALA N N 15 118.4 0.1 . 1 . . . . 12 ALA N . 18422 1 71 . 1 2 12 12 ALA H H 1 6.74 0.01 . 1 . . . . 13 ALA H . 18422 1 72 . 1 2 12 12 ALA HA H 1 4.13 0.01 . 1 . . . . 13 ALA HA . 18422 1 73 . 1 2 12 12 ALA HB1 H 1 1.25 0.01 . 1 . . . . 13 ALA HB . 18422 1 74 . 1 2 12 12 ALA HB2 H 1 1.25 0.01 . 1 . . . . 13 ALA HB . 18422 1 75 . 1 2 12 12 ALA HB3 H 1 1.25 0.01 . 1 . . . . 13 ALA HB . 18422 1 76 . 1 2 12 12 ALA C C 13 179.7 0.3 . 1 . . . . 13 ALA C . 18422 1 77 . 1 2 12 12 ALA CA C 13 54.5 0.3 . 1 . . . . 13 ALA CA . 18422 1 78 . 1 2 12 12 ALA CB C 13 19.3 0.3 . 1 . . . . 13 ALA CB . 18422 1 79 . 1 2 12 12 ALA N N 15 120.2 0.1 . 1 . . . . 13 ALA N . 18422 1 80 . 1 2 13 13 VAL H H 1 7.94 0.01 . 1 . . . . 14 VAL H . 18422 1 81 . 1 2 13 13 VAL HA H 1 3.39 0.01 . 1 . . . . 14 VAL HA . 18422 1 82 . 1 2 13 13 VAL HB H 1 2.13 0.01 . 1 . . . . 14 VAL HB . 18422 1 83 . 1 2 13 13 VAL C C 13 177.0 0.3 . 1 . . . . 14 VAL C . 18422 1 84 . 1 2 13 13 VAL CA C 13 67.4 0.3 . 1 . . . . 14 VAL CA . 18422 1 85 . 1 2 13 13 VAL CB C 13 31.7 0.3 . 1 . . . . 14 VAL CB . 18422 1 86 . 1 2 13 13 VAL N N 15 118.5 0.1 . 1 . . . . 14 VAL N . 18422 1 87 . 1 2 14 14 ASP H H 1 8.26 0.01 . 1 . . . . 15 ASP H . 18422 1 88 . 1 2 14 14 ASP HA H 1 4.05 0.01 . 1 . . . . 15 ASP HA . 18422 1 89 . 1 2 14 14 ASP C C 13 177.6 0.3 . 1 . . . . 15 ASP C . 18422 1 90 . 1 2 14 14 ASP CA C 13 58.5 0.3 . 1 . . . . 15 ASP CA . 18422 1 91 . 1 2 14 14 ASP CB C 13 42.0 0.3 . 1 . . . . 15 ASP CB . 18422 1 92 . 1 2 14 14 ASP N N 15 119.2 0.1 . 1 . . . . 15 ASP N . 18422 1 93 . 1 2 15 15 LEU H H 1 7.30 0.01 . 1 . . . . 16 LEU H . 18422 1 94 . 1 2 15 15 LEU HA H 1 4.05 0.01 . 1 . . . . 16 LEU HA . 18422 1 95 . 1 2 15 15 LEU C C 13 179.2 0.3 . 1 . . . . 16 LEU C . 18422 1 96 . 1 2 15 15 LEU CA C 13 57.7 0.3 . 1 . . . . 16 LEU CA . 18422 1 97 . 1 2 15 15 LEU CB C 13 42.7 0.3 . 1 . . . . 16 LEU CB . 18422 1 98 . 1 2 15 15 LEU N N 15 117.8 0.1 . 1 . . . . 16 LEU N . 18422 1 99 . 1 2 16 16 ALA H H 1 8.48 0.01 . 1 . . . . 17 ALA H . 18422 1 100 . 1 2 16 16 ALA HA H 1 3.73 0.01 . 1 . . . . 17 ALA HA . 18422 1 101 . 1 2 16 16 ALA HB1 H 1 1.21 0.01 . 1 . . . . 17 ALA HB . 18422 1 102 . 1 2 16 16 ALA HB2 H 1 1.21 0.01 . 1 . . . . 17 ALA HB . 18422 1 103 . 1 2 16 16 ALA HB3 H 1 1.21 0.01 . 1 . . . . 17 ALA HB . 18422 1 104 . 1 2 16 16 ALA C C 13 179.3 0.3 . 1 . . . . 17 ALA C . 18422 1 105 . 1 2 16 16 ALA CA C 13 55.0 0.3 . 1 . . . . 17 ALA CA . 18422 1 106 . 1 2 16 16 ALA CB C 13 16.8 0.3 . 1 . . . . 17 ALA CB . 18422 1 107 . 1 2 16 16 ALA N N 15 119.9 0.1 . 1 . . . . 17 ALA N . 18422 1 108 . 1 2 17 17 VAL H H 1 8.56 0.01 . 1 . . . . 18 VAL H . 18422 1 109 . 1 2 17 17 VAL HA H 1 3.34 0.01 . 1 . . . . 18 VAL HA . 18422 1 110 . 1 2 17 17 VAL HB H 1 2.10 0.01 . 1 . . . . 18 VAL HB . 18422 1 111 . 1 2 17 17 VAL HG11 H 1 1.06 0.01 . 2 . . . . 18 VAL HG1 . 18422 1 112 . 1 2 17 17 VAL HG12 H 1 1.06 0.01 . 2 . . . . 18 VAL HG1 . 18422 1 113 . 1 2 17 17 VAL HG13 H 1 1.06 0.01 . 2 . . . . 18 VAL HG1 . 18422 1 114 . 1 2 17 17 VAL HG21 H 1 0.90 0.01 . 2 . . . . 18 VAL HG2 . 18422 1 115 . 1 2 17 17 VAL HG22 H 1 0.90 0.01 . 2 . . . . 18 VAL HG2 . 18422 1 116 . 1 2 17 17 VAL HG23 H 1 0.90 0.01 . 2 . . . . 18 VAL HG2 . 18422 1 117 . 1 2 17 17 VAL C C 13 177.7 0.3 . 1 . . . . 18 VAL C . 18422 1 118 . 1 2 17 17 VAL CA C 13 68.0 0.3 . 1 . . . . 18 VAL CA . 18422 1 119 . 1 2 17 17 VAL CB C 13 31.2 0.3 . 1 . . . . 18 VAL CB . 18422 1 120 . 1 2 17 17 VAL N N 15 117.0 0.1 . 1 . . . . 18 VAL N . 18422 1 121 . 1 2 18 18 GLU H H 1 7.88 0.01 . 1 . . . . 19 GLU H . 18422 1 122 . 1 2 18 18 GLU HA H 1 3.82 0.01 . 1 . . . . 19 GLU HA . 18422 1 123 . 1 2 18 18 GLU C C 13 179.9 0.3 . 1 . . . . 19 GLU C . 18422 1 124 . 1 2 18 18 GLU CA C 13 59.9 0.3 . 1 . . . . 19 GLU CA . 18422 1 125 . 1 2 18 18 GLU CB C 13 29.3 0.3 . 1 . . . . 19 GLU CB . 18422 1 126 . 1 2 18 18 GLU N N 15 118.6 0.1 . 1 . . . . 19 GLU N . 18422 1 127 . 1 2 19 19 LYS H H 1 8.15 0.01 . 1 . . . . 20 LYS H . 18422 1 128 . 1 2 19 19 LYS C C 13 178.9 0.3 . 1 . . . . 20 LYS C . 18422 1 129 . 1 2 19 19 LYS CA C 13 58.7 0.3 . 1 . . . . 20 LYS CA . 18422 1 130 . 1 2 19 19 LYS CB C 13 32.2 0.3 . 1 . . . . 20 LYS CB . 18422 1 131 . 1 2 19 19 LYS N N 15 119.5 0.1 . 1 . . . . 20 LYS N . 18422 1 132 . 1 2 20 20 PHE H H 1 8.88 0.01 . 1 . . . . 21 PHE H . 18422 1 133 . 1 2 20 20 PHE HA H 1 4.13 0.01 . 1 . . . . 21 PHE HA . 18422 1 134 . 1 2 20 20 PHE HD1 H 1 5.98 0.01 . 3 . . . . 21 PHE HD1 . 18422 1 135 . 1 2 20 20 PHE HD2 H 1 5.98 0.01 . 3 . . . . 21 PHE HD2 . 18422 1 136 . 1 2 20 20 PHE HE1 H 1 5.90 0.01 . 3 . . . . 21 PHE HE1 . 18422 1 137 . 1 2 20 20 PHE HE2 H 1 5.90 0.01 . 3 . . . . 21 PHE HE2 . 18422 1 138 . 1 2 20 20 PHE HZ H 1 5.55 0.01 . 1 . . . . 21 PHE HZ . 18422 1 139 . 1 2 20 20 PHE C C 13 176.9 0.3 . 1 . . . . 21 PHE C . 18422 1 140 . 1 2 20 20 PHE CA C 13 59.8 0.3 . 1 . . . . 21 PHE CA . 18422 1 141 . 1 2 20 20 PHE CB C 13 39.0 0.3 . 1 . . . . 21 PHE CB . 18422 1 142 . 1 2 20 20 PHE N N 15 122.9 0.1 . 1 . . . . 21 PHE N . 18422 1 143 . 1 2 21 21 TYR H H 1 8.03 0.01 . 1 . . . . 22 TYR H . 18422 1 144 . 1 2 21 21 TYR HA H 1 3.09 0.01 . 1 . . . . 22 TYR HA . 18422 1 145 . 1 2 21 21 TYR HD1 H 1 6.34 0.01 . 3 . . . . 22 TYR HD1 . 18422 1 146 . 1 2 21 21 TYR HD2 H 1 6.34 0.01 . 3 . . . . 22 TYR HD2 . 18422 1 147 . 1 2 21 21 TYR HE1 H 1 5.61 0.01 . 3 . . . . 22 TYR HE1 . 18422 1 148 . 1 2 21 21 TYR HE2 H 1 5.61 0.01 . 3 . . . . 22 TYR HE2 . 18422 1 149 . 1 2 21 21 TYR C C 13 177.7 0.3 . 1 . . . . 22 TYR C . 18422 1 150 . 1 2 21 21 TYR CA C 13 63.6 0.3 . 1 . . . . 22 TYR CA . 18422 1 151 . 1 2 21 21 TYR CB C 13 37.1 0.3 . 1 . . . . 22 TYR CB . 18422 1 152 . 1 2 21 21 TYR N N 15 116.5 0.1 . 1 . . . . 22 TYR N . 18422 1 153 . 1 2 22 22 GLY H H 1 7.36 0.01 . 1 . . . . 23 GLY H . 18422 1 154 . 1 2 22 22 GLY HA2 H 1 3.64 0.01 . 2 . . . . 23 GLY HA2 . 18422 1 155 . 1 2 22 22 GLY HA3 H 1 3.74 0.01 . 2 . . . . 23 GLY HA3 . 18422 1 156 . 1 2 22 22 GLY C C 13 176.5 0.3 . 1 . . . . 23 GLY C . 18422 1 157 . 1 2 22 22 GLY CA C 13 47.0 0.3 . 1 . . . . 23 GLY CA . 18422 1 158 . 1 2 22 22 GLY N N 15 105.7 0.1 . 1 . . . . 23 GLY N . 18422 1 159 . 1 2 23 23 LYS H H 1 7.32 0.01 . 1 . . . . 24 LYS H . 18422 1 160 . 1 2 23 23 LYS HA H 1 3.85 0.01 . 1 . . . . 24 LYS HA . 18422 1 161 . 1 2 23 23 LYS C C 13 179.5 0.3 . 1 . . . . 24 LYS C . 18422 1 162 . 1 2 23 23 LYS CA C 13 59.8 0.3 . 1 . . . . 24 LYS CA . 18422 1 163 . 1 2 23 23 LYS CB C 13 31.9 0.3 . 1 . . . . 24 LYS CB . 18422 1 164 . 1 2 23 23 LYS N N 15 121.2 0.1 . 1 . . . . 24 LYS N . 18422 1 165 . 1 2 24 24 VAL H H 1 7.84 0.01 . 1 . . . . 25 VAL H . 18422 1 166 . 1 2 24 24 VAL HA H 1 2.89 0.01 . 1 . . . . 25 VAL HA . 18422 1 167 . 1 2 24 24 VAL HB H 1 0.93 0.01 . 1 . . . . 25 VAL HB . 18422 1 168 . 1 2 24 24 VAL HG11 H 1 -0.46 0.01 . 2 . . . . 25 VAL HG1 . 18422 1 169 . 1 2 24 24 VAL HG12 H 1 -0.46 0.01 . 2 . . . . 25 VAL HG1 . 18422 1 170 . 1 2 24 24 VAL HG13 H 1 -0.46 0.01 . 2 . . . . 25 VAL HG1 . 18422 1 171 . 1 2 24 24 VAL HG21 H 1 -0.73 0.01 . 2 . . . . 25 VAL HG2 . 18422 1 172 . 1 2 24 24 VAL HG22 H 1 -0.73 0.01 . 2 . . . . 25 VAL HG2 . 18422 1 173 . 1 2 24 24 VAL HG23 H 1 -0.73 0.01 . 2 . . . . 25 VAL HG2 . 18422 1 174 . 1 2 24 24 VAL C C 13 177.4 0.3 . 1 . . . . 25 VAL C . 18422 1 175 . 1 2 24 24 VAL CA C 13 66.4 0.3 . 1 . . . . 25 VAL CA . 18422 1 176 . 1 2 24 24 VAL CB C 13 31.3 0.3 . 1 . . . . 25 VAL CB . 18422 1 177 . 1 2 24 24 VAL N N 15 119.6 0.1 . 1 . . . . 25 VAL N . 18422 1 178 . 1 2 25 25 LEU H H 1 7.62 0.01 . 1 . . . . 26 LEU H . 18422 1 179 . 1 2 25 25 LEU HA H 1 3.78 0.01 . 1 . . . . 26 LEU HA . 18422 1 180 . 1 2 25 25 LEU C C 13 178.2 0.3 . 1 . . . . 26 LEU C . 18422 1 181 . 1 2 25 25 LEU CA C 13 56.8 0.3 . 1 . . . . 26 LEU CA . 18422 1 182 . 1 2 25 25 LEU CB C 13 40.7 0.3 . 1 . . . . 26 LEU CB . 18422 1 183 . 1 2 25 25 LEU N N 15 114.9 0.1 . 1 . . . . 26 LEU N . 18422 1 184 . 1 2 26 26 ALA H H 1 6.93 0.01 . 1 . . . . 27 ALA H . 18422 1 185 . 1 2 26 26 ALA HA H 1 4.45 0.01 . 1 . . . . 27 ALA HA . 18422 1 186 . 1 2 26 26 ALA HB1 H 1 1.36 0.01 . 1 . . . . 27 ALA HB . 18422 1 187 . 1 2 26 26 ALA HB2 H 1 1.36 0.01 . 1 . . . . 27 ALA HB . 18422 1 188 . 1 2 26 26 ALA HB3 H 1 1.36 0.01 . 1 . . . . 27 ALA HB . 18422 1 189 . 1 2 26 26 ALA C C 13 176.1 0.3 . 1 . . . . 27 ALA C . 18422 1 190 . 1 2 26 26 ALA CA C 13 51.5 0.3 . 1 . . . . 27 ALA CA . 18422 1 191 . 1 2 26 26 ALA CB C 13 19.5 0.3 . 1 . . . . 27 ALA CB . 18422 1 192 . 1 2 26 26 ALA N N 15 120.4 0.1 . 1 . . . . 27 ALA N . 18422 1 193 . 1 2 27 27 ASP H H 1 7.31 0.01 . 1 . . . . 28 ASP H . 18422 1 194 . 1 2 27 27 ASP HA H 1 4.61 0.01 . 1 . . . . 28 ASP HA . 18422 1 195 . 1 2 27 27 ASP C C 13 176.6 0.3 . 1 . . . . 28 ASP C . 18422 1 196 . 1 2 27 27 ASP CA C 13 53.2 0.3 . 1 . . . . 28 ASP CA . 18422 1 197 . 1 2 27 27 ASP CB C 13 41.3 0.3 . 1 . . . . 28 ASP CB . 18422 1 198 . 1 2 27 27 ASP N N 15 120.7 0.1 . 1 . . . . 28 ASP N . 18422 1 199 . 1 2 28 28 GLU H H 1 9.14 0.01 . 1 . . . . 29 GLU H . 18422 1 200 . 1 2 28 28 GLU HA H 1 4.22 0.01 . 1 . . . . 29 GLU HA . 18422 1 201 . 1 2 28 28 GLU C C 13 177.8 0.3 . 1 . . . . 29 GLU C . 18422 1 202 . 1 2 28 28 GLU CA C 13 58.2 0.3 . 1 . . . . 29 GLU CA . 18422 1 203 . 1 2 28 28 GLU CB C 13 29.5 0.3 . 1 . . . . 29 GLU CB . 18422 1 204 . 1 2 28 28 GLU N N 15 127.9 0.1 . 1 . . . . 29 GLU N . 18422 1 205 . 1 2 29 29 ARG H H 1 8.89 0.01 . 1 . . . . 30 ARG H . 18422 1 206 . 1 2 29 29 ARG HA H 1 4.36 0.01 . 1 . . . . 30 ARG HA . 18422 1 207 . 1 2 29 29 ARG C C 13 179.1 0.3 . 1 . . . . 30 ARG C . 18422 1 208 . 1 2 29 29 ARG CA C 13 59.2 0.3 . 1 . . . . 30 ARG CA . 18422 1 209 . 1 2 29 29 ARG CB C 13 32.0 0.3 . 1 . . . . 30 ARG CB . 18422 1 210 . 1 2 29 29 ARG N N 15 117.9 0.1 . 1 . . . . 30 ARG N . 18422 1 211 . 1 2 30 30 VAL H H 1 7.42 0.01 . 1 . . . . 31 VAL H . 18422 1 212 . 1 2 30 30 VAL HA H 1 5.34 0.01 . 1 . . . . 31 VAL HA . 18422 1 213 . 1 2 30 30 VAL HB H 1 2.97 0.01 . 1 . . . . 31 VAL HB . 18422 1 214 . 1 2 30 30 VAL HG11 H 1 1.40 0.01 . 2 . . . . 31 VAL HG1 . 18422 1 215 . 1 2 30 30 VAL HG12 H 1 1.40 0.01 . 2 . . . . 31 VAL HG1 . 18422 1 216 . 1 2 30 30 VAL HG13 H 1 1.40 0.01 . 2 . . . . 31 VAL HG1 . 18422 1 217 . 1 2 30 30 VAL HG21 H 1 0.90 0.01 . 2 . . . . 31 VAL HG2 . 18422 1 218 . 1 2 30 30 VAL HG22 H 1 0.90 0.01 . 2 . . . . 31 VAL HG2 . 18422 1 219 . 1 2 30 30 VAL HG23 H 1 0.90 0.01 . 2 . . . . 31 VAL HG2 . 18422 1 220 . 1 2 30 30 VAL C C 13 176.4 0.3 . 1 . . . . 31 VAL C . 18422 1 221 . 1 2 30 30 VAL CA C 13 60.5 0.3 . 1 . . . . 31 VAL CA . 18422 1 222 . 1 2 30 30 VAL CB C 13 36.1 0.3 . 1 . . . . 31 VAL CB . 18422 1 223 . 1 2 30 30 VAL N N 15 102.5 0.1 . 1 . . . . 31 VAL N . 18422 1 224 . 1 2 31 31 ASN H H 1 8.98 0.01 . 1 . . . . 32 ASN H . 18422 1 225 . 1 2 31 31 ASN HA H 1 4.25 0.01 . 1 . . . . 32 ASN HA . 18422 1 226 . 1 2 31 31 ASN HD21 H 1 6.73 0.01 . 2 . . . . 32 ASN HD21 . 18422 1 227 . 1 2 31 31 ASN HD22 H 1 6.80 0.01 . 2 . . . . 32 ASN HD22 . 18422 1 228 . 1 2 31 31 ASN C C 13 179.0 0.3 . 1 . . . . 32 ASN C . 18422 1 229 . 1 2 31 31 ASN CA C 13 57.3 0.3 . 1 . . . . 32 ASN CA . 18422 1 230 . 1 2 31 31 ASN CB C 13 36.4 0.3 . 1 . . . . 32 ASN CB . 18422 1 231 . 1 2 31 31 ASN N N 15 122.8 0.1 . 1 . . . . 32 ASN N . 18422 1 232 . 1 2 31 31 ASN ND2 N 15 106.2 0.1 . 1 . . . . 32 ASN ND2 . 18422 1 233 . 1 2 32 32 ARG H H 1 8.69 0.01 . 1 . . . . 33 ARG H . 18422 1 234 . 1 2 32 32 ARG HA H 1 4.24 0.01 . 1 . . . . 33 ARG HA . 18422 1 235 . 1 2 32 32 ARG C C 13 178.1 0.3 . 1 . . . . 33 ARG C . 18422 1 236 . 1 2 32 32 ARG CA C 13 58.2 0.3 . 1 . . . . 33 ARG CA . 18422 1 237 . 1 2 32 32 ARG CB C 13 28.6 0.3 . 1 . . . . 33 ARG CB . 18422 1 238 . 1 2 32 32 ARG N N 15 121.2 0.1 . 1 . . . . 33 ARG N . 18422 1 239 . 1 2 33 33 PHE H H 1 7.97 0.01 . 1 . . . . 34 PHE H . 18422 1 240 . 1 2 33 33 PHE HA H 1 4.40 0.01 . 1 . . . . 34 PHE HA . 18422 1 241 . 1 2 33 33 PHE HD1 H 1 7.83 0.01 . 3 . . . . 34 PHE HD1 . 18422 1 242 . 1 2 33 33 PHE HD2 H 1 7.83 0.01 . 3 . . . . 34 PHE HD2 . 18422 1 243 . 1 2 33 33 PHE HE1 H 1 7.15 0.01 . 3 . . . . 34 PHE HE1 . 18422 1 244 . 1 2 33 33 PHE HE2 H 1 7.15 0.01 . 3 . . . . 34 PHE HE2 . 18422 1 245 . 1 2 33 33 PHE HZ H 1 6.55 0.01 . 1 . . . . 34 PHE HZ . 18422 1 246 . 1 2 33 33 PHE C C 13 175.5 0.3 . 1 . . . . 34 PHE C . 18422 1 247 . 1 2 33 33 PHE CA C 13 60.8 0.3 . 1 . . . . 34 PHE CA . 18422 1 248 . 1 2 33 33 PHE CB C 13 39.0 0.3 . 1 . . . . 34 PHE CB . 18422 1 249 . 1 2 33 33 PHE N N 15 117.1 0.1 . 1 . . . . 34 PHE N . 18422 1 250 . 1 2 34 34 PHE H H 1 7.73 0.01 . 1 . . . . 35 PHE H . 18422 1 251 . 1 2 34 34 PHE HA H 1 4.83 0.01 . 1 . . . . 35 PHE HA . 18422 1 252 . 1 2 34 34 PHE HD1 H 1 7.08 0.01 . 3 . . . . 35 PHE HD1 . 18422 1 253 . 1 2 34 34 PHE HD2 H 1 7.08 0.01 . 3 . . . . 35 PHE HD2 . 18422 1 254 . 1 2 34 34 PHE HE1 H 1 6.30 0.01 . 3 . . . . 35 PHE HE1 . 18422 1 255 . 1 2 34 34 PHE HE2 H 1 6.30 0.01 . 3 . . . . 35 PHE HE2 . 18422 1 256 . 1 2 34 34 PHE HZ H 1 5.26 0.01 . 1 . . . . 35 PHE HZ . 18422 1 257 . 1 2 34 34 PHE C C 13 177.2 0.3 . 1 . . . . 35 PHE C . 18422 1 258 . 1 2 34 34 PHE CA C 13 58.6 0.3 . 1 . . . . 35 PHE CA . 18422 1 259 . 1 2 34 34 PHE CB C 13 40.8 0.3 . 1 . . . . 35 PHE CB . 18422 1 260 . 1 2 34 34 PHE N N 15 113.9 0.1 . 1 . . . . 35 PHE N . 18422 1 261 . 1 2 35 35 VAL H H 1 7.28 0.01 . 1 . . . . 36 VAL H . 18422 1 262 . 1 2 35 35 VAL HA H 1 3.95 0.01 . 1 . . . . 36 VAL HA . 18422 1 263 . 1 2 35 35 VAL HB H 1 2.15 0.01 . 1 . . . . 36 VAL HB . 18422 1 264 . 1 2 35 35 VAL HG11 H 1 1.03 0.01 . 2 . . . . 36 VAL HG1 . 18422 1 265 . 1 2 35 35 VAL HG12 H 1 1.03 0.01 . 2 . . . . 36 VAL HG1 . 18422 1 266 . 1 2 35 35 VAL HG13 H 1 1.03 0.01 . 2 . . . . 36 VAL HG1 . 18422 1 267 . 1 2 35 35 VAL HG21 H 1 1.07 0.01 . 2 . . . . 36 VAL HG2 . 18422 1 268 . 1 2 35 35 VAL HG22 H 1 1.07 0.01 . 2 . . . . 36 VAL HG2 . 18422 1 269 . 1 2 35 35 VAL HG23 H 1 1.07 0.01 . 2 . . . . 36 VAL HG2 . 18422 1 270 . 1 2 35 35 VAL C C 13 176.1 0.3 . 1 . . . . 36 VAL C . 18422 1 271 . 1 2 35 35 VAL CA C 13 65.1 0.3 . 1 . . . . 36 VAL CA . 18422 1 272 . 1 2 35 35 VAL CB C 13 32.3 0.3 . 1 . . . . 36 VAL CB . 18422 1 273 . 1 2 35 35 VAL N N 15 118.8 0.1 . 1 . . . . 36 VAL N . 18422 1 274 . 1 2 36 36 ASN H H 1 8.79 0.01 . 1 . . . . 37 ASN H . 18422 1 275 . 1 2 36 36 ASN HA H 1 5.00 0.01 . 1 . . . . 37 ASN HA . 18422 1 276 . 1 2 36 36 ASN HD21 H 1 6.96 0.01 . 2 . . . . 37 ASN HD21 . 18422 1 277 . 1 2 36 36 ASN HD22 H 1 7.73 0.01 . 2 . . . . 37 ASN HD22 . 18422 1 278 . 1 2 36 36 ASN C C 13 175.0 0.3 . 1 . . . . 37 ASN C . 18422 1 279 . 1 2 36 36 ASN CA C 13 53.3 0.3 . 1 . . . . 37 ASN CA . 18422 1 280 . 1 2 36 36 ASN CB C 13 38.9 0.3 . 1 . . . . 37 ASN CB . 18422 1 281 . 1 2 36 36 ASN N N 15 118.1 0.1 . 1 . . . . 37 ASN N . 18422 1 282 . 1 2 36 36 ASN ND2 N 15 113.9 0.1 . 1 . . . . 37 ASN ND2 . 18422 1 283 . 1 2 37 37 THR H H 1 7.54 0.01 . 1 . . . . 38 THR H . 18422 1 284 . 1 2 37 37 THR HA H 1 4.55 0.01 . 1 . . . . 38 THR HA . 18422 1 285 . 1 2 37 37 THR HB H 1 4.28 0.01 . 1 . . . . 38 THR HB . 18422 1 286 . 1 2 37 37 THR HG21 H 1 1.44 0.01 . 1 . . . . 38 THR HG2 . 18422 1 287 . 1 2 37 37 THR HG22 H 1 1.44 0.01 . 1 . . . . 38 THR HG2 . 18422 1 288 . 1 2 37 37 THR HG23 H 1 1.44 0.01 . 1 . . . . 38 THR HG2 . 18422 1 289 . 1 2 37 37 THR C C 13 173.7 0.3 . 1 . . . . 38 THR C . 18422 1 290 . 1 2 37 37 THR CA C 13 62.3 0.3 . 1 . . . . 38 THR CA . 18422 1 291 . 1 2 37 37 THR CB C 13 71.0 0.3 . 1 . . . . 38 THR CB . 18422 1 292 . 1 2 37 37 THR N N 15 115.0 0.1 . 1 . . . . 38 THR N . 18422 1 293 . 1 2 38 38 ASP H H 1 8.76 0.01 . 1 . . . . 39 ASP H . 18422 1 294 . 1 2 38 38 ASP HA H 1 4.74 0.01 . 1 . . . . 39 ASP HA . 18422 1 295 . 1 2 38 38 ASP C C 13 176.9 0.3 . 1 . . . . 39 ASP C . 18422 1 296 . 1 2 38 38 ASP CA C 13 53.5 0.3 . 1 . . . . 39 ASP CA . 18422 1 297 . 1 2 38 38 ASP CB C 13 40.4 0.3 . 1 . . . . 39 ASP CB . 18422 1 298 . 1 2 38 38 ASP N N 15 123.5 0.1 . 1 . . . . 39 ASP N . 18422 1 299 . 1 2 39 39 MET H H 1 8.67 0.01 . 1 . . . . 40 MET H . 18422 1 300 . 1 2 39 39 MET HA H 1 4.25 0.01 . 1 . . . . 40 MET HA . 18422 1 301 . 1 2 39 39 MET C C 13 178.0 0.3 . 1 . . . . 40 MET C . 18422 1 302 . 1 2 39 39 MET CA C 13 55.7 0.3 . 1 . . . . 40 MET CA . 18422 1 303 . 1 2 39 39 MET CB C 13 29.9 0.3 . 1 . . . . 40 MET CB . 18422 1 304 . 1 2 39 39 MET N N 15 127.1 0.1 . 1 . . . . 40 MET N . 18422 1 305 . 1 2 40 40 ALA H H 1 8.12 0.01 . 1 . . . . 41 ALA H . 18422 1 306 . 1 2 40 40 ALA HA H 1 3.96 0.01 . 1 . . . . 41 ALA HA . 18422 1 307 . 1 2 40 40 ALA HB1 H 1 1.45 0.01 . 1 . . . . 41 ALA HB . 18422 1 308 . 1 2 40 40 ALA HB2 H 1 1.45 0.01 . 1 . . . . 41 ALA HB . 18422 1 309 . 1 2 40 40 ALA HB3 H 1 1.45 0.01 . 1 . . . . 41 ALA HB . 18422 1 310 . 1 2 40 40 ALA C C 13 181.2 0.3 . 1 . . . . 41 ALA C . 18422 1 311 . 1 2 40 40 ALA CA C 13 55.3 0.3 . 1 . . . . 41 ALA CA . 18422 1 312 . 1 2 40 40 ALA CB C 13 17.8 0.3 . 1 . . . . 41 ALA CB . 18422 1 313 . 1 2 40 40 ALA N N 15 122.8 0.1 . 1 . . . . 41 ALA N . 18422 1 314 . 1 2 41 41 LYS H H 1 7.48 0.01 . 1 . . . . 42 LYS H . 18422 1 315 . 1 2 41 41 LYS HA H 1 3.91 0.01 . 1 . . . . 42 LYS HA . 18422 1 316 . 1 2 41 41 LYS C C 13 178.2 0.3 . 1 . . . . 42 LYS C . 18422 1 317 . 1 2 41 41 LYS CA C 13 58.7 0.3 . 1 . . . . 42 LYS CA . 18422 1 318 . 1 2 41 41 LYS CB C 13 32.5 0.3 . 1 . . . . 42 LYS CB . 18422 1 319 . 1 2 41 41 LYS N N 15 119.4 0.1 . 1 . . . . 42 LYS N . 18422 1 320 . 1 2 42 42 GLN H H 1 8.08 0.01 . 1 . . . . 43 GLN H . 18422 1 321 . 1 2 42 42 GLN HA H 1 4.00 0.01 . 1 . . . . 43 GLN HA . 18422 1 322 . 1 2 42 42 GLN HE21 H 1 5.62 0.01 . 2 . . . . 43 GLN HE21 . 18422 1 323 . 1 2 42 42 GLN HE22 H 1 6.71 0.01 . 2 . . . . 43 GLN HE22 . 18422 1 324 . 1 2 42 42 GLN C C 13 177.8 0.3 . 1 . . . . 43 GLN C . 18422 1 325 . 1 2 42 42 GLN CA C 13 58.5 0.3 . 1 . . . . 43 GLN CA . 18422 1 326 . 1 2 42 42 GLN CB C 13 27.9 0.3 . 1 . . . . 43 GLN CB . 18422 1 327 . 1 2 42 42 GLN N N 15 118.2 0.1 . 1 . . . . 43 GLN N . 18422 1 328 . 1 2 42 42 GLN NE2 N 15 107.9 0.1 . 1 . . . . 43 GLN NE2 . 18422 1 329 . 1 2 43 43 LYS H H 1 8.06 0.01 . 1 . . . . 44 LYS H . 18422 1 330 . 1 2 43 43 LYS HA H 1 3.46 0.01 . 1 . . . . 44 LYS HA . 18422 1 331 . 1 2 43 43 LYS C C 13 178.4 0.3 . 1 . . . . 44 LYS C . 18422 1 332 . 1 2 43 43 LYS CA C 13 60.4 0.3 . 1 . . . . 44 LYS CA . 18422 1 333 . 1 2 43 43 LYS CB C 13 32.3 0.3 . 1 . . . . 44 LYS CB . 18422 1 334 . 1 2 43 43 LYS N N 15 116.7 0.1 . 1 . . . . 44 LYS N . 18422 1 335 . 1 2 44 44 GLN H H 1 7.22 0.01 . 1 . . . . 45 GLN H . 18422 1 336 . 1 2 44 44 GLN HA H 1 3.94 0.01 . 1 . . . . 45 GLN HA . 18422 1 337 . 1 2 44 44 GLN HE21 H 1 7.09 0.01 . 2 . . . . 45 GLN HE21 . 18422 1 338 . 1 2 44 44 GLN HE22 H 1 7.82 0.01 . 2 . . . . 45 GLN HE22 . 18422 1 339 . 1 2 44 44 GLN C C 13 178.2 0.3 . 1 . . . . 45 GLN C . 18422 1 340 . 1 2 44 44 GLN CA C 13 58.8 0.3 . 1 . . . . 45 GLN CA . 18422 1 341 . 1 2 44 44 GLN CB C 13 28.2 0.3 . 1 . . . . 45 GLN CB . 18422 1 342 . 1 2 44 44 GLN N N 15 118.1 0.1 . 1 . . . . 45 GLN N . 18422 1 343 . 1 2 44 44 GLN NE2 N 15 116.9 0.1 . 1 . . . . 45 GLN NE2 . 18422 1 344 . 1 2 45 45 HIS H H 1 8.61 0.01 . 1 . . . . 46 HIS H . 18422 1 345 . 1 2 45 45 HIS HA H 1 4.98 0.01 . 1 . . . . 46 HIS HA . 18422 1 346 . 1 2 45 45 HIS HD2 H 1 7.27 0.01 . 1 . . . . 46 HIS HD2 . 18422 1 347 . 1 2 45 45 HIS HE1 H 1 8.19 0.01 . 1 . . . . 46 HIS HE1 . 18422 1 348 . 1 2 45 45 HIS C C 13 178.5 0.3 . 1 . . . . 46 HIS C . 18422 1 349 . 1 2 45 45 HIS N N 15 117.6 0.1 . 1 . . . . 46 HIS N . 18422 1 350 . 1 2 46 46 GLN H H 1 8.99 0.01 . 1 . . . . 47 GLN H . 18422 1 351 . 1 2 46 46 GLN HA H 1 3.55 0.01 . 1 . . . . 47 GLN HA . 18422 1 352 . 1 2 46 46 GLN C C 13 178.2 0.3 . 1 . . . . 47 GLN C . 18422 1 353 . 1 2 46 46 GLN CA C 13 58.2 0.3 . 1 . . . . 47 GLN CA . 18422 1 354 . 1 2 46 46 GLN CB C 13 30.5 0.3 . 1 . . . . 47 GLN CB . 18422 1 355 . 1 2 46 46 GLN N N 15 121.4 0.1 . 1 . . . . 47 GLN N . 18422 1 356 . 1 2 47 47 LYS H H 1 8.30 0.01 . 1 . . . . 48 LYS H . 18422 1 357 . 1 2 47 47 LYS HA H 1 3.81 0.01 . 1 . . . . 48 LYS HA . 18422 1 358 . 1 2 47 47 LYS C C 13 180.2 0.3 . 1 . . . . 48 LYS C . 18422 1 359 . 1 2 47 47 LYS CA C 13 60.8 0.3 . 1 . . . . 48 LYS CA . 18422 1 360 . 1 2 47 47 LYS CB C 13 32.1 0.3 . 1 . . . . 48 LYS CB . 18422 1 361 . 1 2 47 47 LYS N N 15 120.5 0.1 . 1 . . . . 48 LYS N . 18422 1 362 . 1 2 48 48 ASP H H 1 8.64 0.01 . 1 . . . . 49 ASP H . 18422 1 363 . 1 2 48 48 ASP HA H 1 4.53 0.01 . 1 . . . . 49 ASP HA . 18422 1 364 . 1 2 48 48 ASP C C 13 179.2 0.3 . 1 . . . . 49 ASP C . 18422 1 365 . 1 2 48 48 ASP CA C 13 58.2 0.3 . 1 . . . . 49 ASP CA . 18422 1 366 . 1 2 48 48 ASP CB C 13 40.1 0.3 . 1 . . . . 49 ASP CB . 18422 1 367 . 1 2 48 48 ASP N N 15 122.9 0.1 . 1 . . . . 49 ASP N . 18422 1 368 . 1 2 49 49 PHE H H 1 9.37 0.01 . 1 . . . . 50 PHE H . 18422 1 369 . 1 2 49 49 PHE N N 15 124.3 0.1 . 1 . . . . 50 PHE N . 18422 1 370 . 1 2 50 50 MET H H 1 9.23 0.01 . 1 . . . . 51 MET H . 18422 1 371 . 1 2 50 50 MET C C 13 177.1 0.3 . 1 . . . . 51 MET C . 18422 1 372 . 1 2 50 50 MET CA C 13 59.1 0.3 . 1 . . . . 51 MET CA . 18422 1 373 . 1 2 50 50 MET CB C 13 31.6 0.3 . 1 . . . . 51 MET CB . 18422 1 374 . 1 2 50 50 MET N N 15 119.0 0.1 . 1 . . . . 51 MET N . 18422 1 375 . 1 2 51 51 THR H H 1 7.96 0.01 . 1 . . . . 52 THR H . 18422 1 376 . 1 2 51 51 THR HA H 1 3.53 0.01 . 1 . . . . 52 THR HA . 18422 1 377 . 1 2 51 51 THR HB H 1 4.33 0.01 . 1 . . . . 52 THR HB . 18422 1 378 . 1 2 51 51 THR HG21 H 1 0.76 0.01 . 1 . . . . 52 THR HG2 . 18422 1 379 . 1 2 51 51 THR HG22 H 1 0.76 0.01 . 1 . . . . 52 THR HG2 . 18422 1 380 . 1 2 51 51 THR HG23 H 1 0.76 0.01 . 1 . . . . 52 THR HG2 . 18422 1 381 . 1 2 51 51 THR C C 13 175.3 0.3 . 1 . . . . 52 THR C . 18422 1 382 . 1 2 51 51 THR CA C 13 68.3 0.3 . 1 . . . . 52 THR CA . 18422 1 383 . 1 2 51 51 THR N N 15 114.7 0.1 . 1 . . . . 52 THR N . 18422 1 384 . 1 2 52 52 TYR H H 1 7.22 0.01 . 1 . . . . 53 TYR H . 18422 1 385 . 1 2 52 52 TYR HA H 1 4.36 0.01 . 1 . . . . 53 TYR HA . 18422 1 386 . 1 2 52 52 TYR HD1 H 1 6.66 0.01 . 3 . . . . 53 TYR HD1 . 18422 1 387 . 1 2 52 52 TYR HD2 H 1 6.66 0.01 . 3 . . . . 53 TYR HD2 . 18422 1 388 . 1 2 52 52 TYR HE1 H 1 6.74 0.01 . 3 . . . . 53 TYR HE1 . 18422 1 389 . 1 2 52 52 TYR HE2 H 1 6.74 0.01 . 3 . . . . 53 TYR HE2 . 18422 1 390 . 1 2 52 52 TYR C C 13 177.9 0.3 . 1 . . . . 53 TYR C . 18422 1 391 . 1 2 52 52 TYR CA C 13 59.9 0.3 . 1 . . . . 53 TYR CA . 18422 1 392 . 1 2 52 52 TYR CB C 13 37.9 0.3 . 1 . . . . 53 TYR CB . 18422 1 393 . 1 2 52 52 TYR N N 15 122.3 0.1 . 1 . . . . 53 TYR N . 18422 1 394 . 1 2 53 53 ALA H H 1 9.16 0.01 . 1 . . . . 54 ALA H . 18422 1 395 . 1 2 53 53 ALA HA H 1 3.36 0.01 . 1 . . . . 54 ALA HA . 18422 1 396 . 1 2 53 53 ALA HB1 H 1 0.82 0.01 . 1 . . . . 54 ALA HB . 18422 1 397 . 1 2 53 53 ALA HB2 H 1 0.82 0.01 . 1 . . . . 54 ALA HB . 18422 1 398 . 1 2 53 53 ALA HB3 H 1 0.82 0.01 . 1 . . . . 54 ALA HB . 18422 1 399 . 1 2 53 53 ALA C C 13 179.4 0.3 . 1 . . . . 54 ALA C . 18422 1 400 . 1 2 53 53 ALA CA C 13 54.3 0.3 . 1 . . . . 54 ALA CA . 18422 1 401 . 1 2 53 53 ALA CB C 13 17.3 0.3 . 1 . . . . 54 ALA CB . 18422 1 402 . 1 2 53 53 ALA N N 15 125.1 0.1 . 1 . . . . 54 ALA N . 18422 1 403 . 1 2 54 54 PHE H H 1 8.02 0.01 . 1 . . . . 55 PHE H . 18422 1 404 . 1 2 54 54 PHE HA H 1 4.94 0.01 . 1 . . . . 55 PHE HA . 18422 1 405 . 1 2 54 54 PHE HD1 H 1 6.84 0.01 . 3 . . . . 55 PHE HD1 . 18422 1 406 . 1 2 54 54 PHE HD2 H 1 6.84 0.01 . 3 . . . . 55 PHE HD2 . 18422 1 407 . 1 2 54 54 PHE HE1 H 1 7.02 0.01 . 3 . . . . 55 PHE HE1 . 18422 1 408 . 1 2 54 54 PHE HE2 H 1 7.02 0.01 . 3 . . . . 55 PHE HE2 . 18422 1 409 . 1 2 54 54 PHE HZ H 1 6.90 0.01 . 1 . . . . 55 PHE HZ . 18422 1 410 . 1 2 54 54 PHE C C 13 175.8 0.3 . 1 . . . . 55 PHE C . 18422 1 411 . 1 2 54 54 PHE CA C 13 53.0 0.3 . 1 . . . . 55 PHE CA . 18422 1 412 . 1 2 54 54 PHE CB C 13 36.8 0.3 . 1 . . . . 55 PHE CB . 18422 1 413 . 1 2 54 54 PHE N N 15 112.0 0.1 . 1 . . . . 55 PHE N . 18422 1 414 . 1 2 55 55 GLY H H 1 8.00 0.01 . 1 . . . . 56 GLY H . 18422 1 415 . 1 2 55 55 GLY HA2 H 1 4.25 0.01 . 2 . . . . 56 GLY HA2 . 18422 1 416 . 1 2 55 55 GLY HA3 H 1 3.94 0.01 . 2 . . . . 56 GLY HA3 . 18422 1 417 . 1 2 55 55 GLY C C 13 175.6 0.3 . 1 . . . . 56 GLY C . 18422 1 418 . 1 2 55 55 GLY CA C 13 46.3 0.3 . 1 . . . . 56 GLY CA . 18422 1 419 . 1 2 55 55 GLY N N 15 107.7 0.1 . 1 . . . . 56 GLY N . 18422 1 420 . 1 2 56 56 GLY H H 1 8.91 0.01 . 1 . . . . 57 GLY H . 18422 1 421 . 1 2 56 56 GLY HA2 H 1 2.42 0.01 . 2 . . . . 57 GLY HA2 . 18422 1 422 . 1 2 56 56 GLY HA3 H 1 3.86 0.01 . 2 . . . . 57 GLY HA3 . 18422 1 423 . 1 2 56 56 GLY C C 13 172.9 0.3 . 1 . . . . 57 GLY C . 18422 1 424 . 1 2 56 56 GLY CA C 13 46.0 0.3 . 1 . . . . 57 GLY CA . 18422 1 425 . 1 2 56 56 GLY N N 15 108.6 0.1 . 1 . . . . 57 GLY N . 18422 1 426 . 1 2 57 57 THR H H 1 7.24 0.01 . 1 . . . . 58 THR H . 18422 1 427 . 1 2 57 57 THR HA H 1 4.52 0.01 . 1 . . . . 58 THR HA . 18422 1 428 . 1 2 57 57 THR HB H 1 4.22 0.01 . 1 . . . . 58 THR HB . 18422 1 429 . 1 2 57 57 THR HG21 H 1 1.12 0.01 . 1 . . . . 58 THR HG2 . 18422 1 430 . 1 2 57 57 THR HG22 H 1 1.12 0.01 . 1 . . . . 58 THR HG2 . 18422 1 431 . 1 2 57 57 THR HG23 H 1 1.12 0.01 . 1 . . . . 58 THR HG2 . 18422 1 432 . 1 2 57 57 THR C C 13 172.5 0.3 . 1 . . . . 58 THR C . 18422 1 433 . 1 2 57 57 THR CA C 13 60.0 0.3 . 1 . . . . 58 THR CA . 18422 1 434 . 1 2 57 57 THR CB C 13 69.3 0.3 . 1 . . . . 58 THR CB . 18422 1 435 . 1 2 57 57 THR N N 15 111.6 0.1 . 1 . . . . 58 THR N . 18422 1 436 . 1 2 58 58 ASP H H 1 8.37 0.01 . 1 . . . . 59 ASP H . 18422 1 437 . 1 2 58 58 ASP HA H 1 4.76 0.01 . 1 . . . . 59 ASP HA . 18422 1 438 . 1 2 58 58 ASP C C 13 175.9 0.3 . 1 . . . . 59 ASP C . 18422 1 439 . 1 2 58 58 ASP CA C 13 54.3 0.3 . 1 . . . . 59 ASP CA . 18422 1 440 . 1 2 58 58 ASP CB C 13 42.3 0.3 . 1 . . . . 59 ASP CB . 18422 1 441 . 1 2 58 58 ASP N N 15 120.0 0.1 . 1 . . . . 59 ASP N . 18422 1 442 . 1 2 59 59 ARG H H 1 7.69 0.01 . 1 . . . . 60 ARG H . 18422 1 443 . 1 2 59 59 ARG HA H 1 4.44 0.01 . 1 . . . . 60 ARG HA . 18422 1 444 . 1 2 59 59 ARG C C 13 173.9 0.3 . 1 . . . . 60 ARG C . 18422 1 445 . 1 2 59 59 ARG CA C 13 54.9 0.3 . 1 . . . . 60 ARG CA . 18422 1 446 . 1 2 59 59 ARG CB C 13 32.5 0.3 . 1 . . . . 60 ARG CB . 18422 1 447 . 1 2 59 59 ARG N N 15 118.7 0.1 . 1 . . . . 60 ARG N . 18422 1 448 . 1 2 60 60 PHE H H 1 8.43 0.01 . 1 . . . . 61 PHE H . 18422 1 449 . 1 2 60 60 PHE HA H 1 4.75 0.01 . 1 . . . . 61 PHE HA . 18422 1 450 . 1 2 60 60 PHE HD1 H 1 7.14 0.01 . 3 . . . . 61 PHE HD1 . 18422 1 451 . 1 2 60 60 PHE HD2 H 1 7.14 0.01 . 3 . . . . 61 PHE HD2 . 18422 1 452 . 1 2 60 60 PHE HE1 H 1 7.78 0.01 . 3 . . . . 61 PHE HE1 . 18422 1 453 . 1 2 60 60 PHE HE2 H 1 7.78 0.01 . 3 . . . . 61 PHE HE2 . 18422 1 454 . 1 2 60 60 PHE HZ H 1 7.66 0.01 . 1 . . . . 61 PHE HZ . 18422 1 455 . 1 2 60 60 PHE C C 13 174.4 0.3 . 1 . . . . 61 PHE C . 18422 1 456 . 1 2 60 60 PHE CA C 13 54.0 0.3 . 1 . . . . 61 PHE CA . 18422 1 457 . 1 2 60 60 PHE CB C 13 40.0 0.3 . 1 . . . . 61 PHE CB . 18422 1 458 . 1 2 60 60 PHE N N 15 123.8 0.1 . 1 . . . . 61 PHE N . 18422 1 459 . 1 2 62 62 GLY C C 13 173.2 0.3 . 1 . . . . 63 GLY C . 18422 1 460 . 1 2 62 62 GLY CA C 13 45.3 0.3 . 1 . . . . 63 GLY CA . 18422 1 461 . 1 2 63 63 ARG H H 1 8.42 0.01 . 1 . . . . 64 ARG H . 18422 1 462 . 1 2 63 63 ARG HA H 1 4.17 0.01 . 1 . . . . 64 ARG HA . 18422 1 463 . 1 2 63 63 ARG C C 13 175.5 0.3 . 1 . . . . 64 ARG C . 18422 1 464 . 1 2 63 63 ARG CA C 13 56.3 0.3 . 1 . . . . 64 ARG CA . 18422 1 465 . 1 2 63 63 ARG CB C 13 32.8 0.3 . 1 . . . . 64 ARG CB . 18422 1 466 . 1 2 63 63 ARG N N 15 121.0 0.1 . 1 . . . . 64 ARG N . 18422 1 467 . 1 2 64 64 SER H H 1 8.14 0.01 . 1 . . . . 65 SER H . 18422 1 468 . 1 2 64 64 SER HA H 1 4.30 0.01 . 1 . . . . 65 SER HA . 18422 1 469 . 1 2 64 64 SER C C 13 174.2 0.3 . 1 . . . . 65 SER C . 18422 1 470 . 1 2 64 64 SER CA C 13 57.4 0.3 . 1 . . . . 65 SER CA . 18422 1 471 . 1 2 64 64 SER CB C 13 64.0 0.3 . 1 . . . . 65 SER CB . 18422 1 472 . 1 2 64 64 SER N N 15 113.5 0.1 . 1 . . . . 65 SER N . 18422 1 473 . 1 2 65 65 MET H H 1 8.93 0.01 . 1 . . . . 66 MET H . 18422 1 474 . 1 2 65 65 MET HA H 1 3.41 0.01 . 1 . . . . 66 MET HA . 18422 1 475 . 1 2 65 65 MET C C 13 179.2 0.3 . 1 . . . . 66 MET C . 18422 1 476 . 1 2 65 65 MET CA C 13 56.3 0.3 . 1 . . . . 66 MET CA . 18422 1 477 . 1 2 65 65 MET CB C 13 35.2 0.3 . 1 . . . . 66 MET CB . 18422 1 478 . 1 2 65 65 MET N N 15 119.3 0.1 . 1 . . . . 66 MET N . 18422 1 479 . 1 2 66 66 ARG H H 1 7.90 0.01 . 1 . . . . 67 ARG H . 18422 1 480 . 1 2 66 66 ARG HA H 1 3.92 0.01 . 1 . . . . 67 ARG HA . 18422 1 481 . 1 2 66 66 ARG C C 13 172.9 0.3 . 1 . . . . 67 ARG C . 18422 1 482 . 1 2 66 66 ARG CA C 13 58.0 0.3 . 1 . . . . 67 ARG CA . 18422 1 483 . 1 2 66 66 ARG CB C 13 30.9 0.3 . 1 . . . . 67 ARG CB . 18422 1 484 . 1 2 66 66 ARG N N 15 120.1 0.1 . 1 . . . . 67 ARG N . 18422 1 485 . 1 2 67 67 ALA H H 1 7.27 0.01 . 1 . . . . 68 ALA H . 18422 1 486 . 1 2 67 67 ALA HA H 1 3.78 0.01 . 1 . . . . 68 ALA HA . 18422 1 487 . 1 2 67 67 ALA HB1 H 1 1.20 0.01 . 1 . . . . 68 ALA HB . 18422 1 488 . 1 2 67 67 ALA HB2 H 1 1.20 0.01 . 1 . . . . 68 ALA HB . 18422 1 489 . 1 2 67 67 ALA HB3 H 1 1.20 0.01 . 1 . . . . 68 ALA HB . 18422 1 490 . 1 2 67 67 ALA C C 13 180.4 0.3 . 1 . . . . 68 ALA C . 18422 1 491 . 1 2 67 67 ALA CA C 13 54.4 0.3 . 1 . . . . 68 ALA CA . 18422 1 492 . 1 2 67 67 ALA CB C 13 18.3 0.3 . 1 . . . . 68 ALA CB . 18422 1 493 . 1 2 67 67 ALA N N 15 120.7 0.1 . 1 . . . . 68 ALA N . 18422 1 494 . 1 2 68 68 ALA H H 1 8.23 0.01 . 1 . . . . 69 ALA H . 18422 1 495 . 1 2 68 68 ALA HA H 1 3.25 0.01 . 1 . . . . 69 ALA HA . 18422 1 496 . 1 2 68 68 ALA HB1 H 1 -0.25 0.01 . 1 . . . . 69 ALA HB . 18422 1 497 . 1 2 68 68 ALA HB2 H 1 -0.25 0.01 . 1 . . . . 69 ALA HB . 18422 1 498 . 1 2 68 68 ALA HB3 H 1 -0.25 0.01 . 1 . . . . 69 ALA HB . 18422 1 499 . 1 2 68 68 ALA C C 13 175.7 0.3 . 1 . . . . 69 ALA C . 18422 1 500 . 1 2 68 68 ALA CA C 13 53.0 0.3 . 1 . . . . 69 ALA CA . 18422 1 501 . 1 2 68 68 ALA CB C 13 17.5 0.3 . 1 . . . . 69 ALA CB . 18422 1 502 . 1 2 68 68 ALA N N 15 116.9 0.1 . 1 . . . . 69 ALA N . 18422 1 503 . 1 2 69 69 HIS H H 1 5.48 0.01 . 1 . . . . 70 HIS H . 18422 1 504 . 1 2 69 69 HIS HA H 1 3.13 0.01 . 1 . . . . 70 HIS HA . 18422 1 505 . 1 2 69 69 HIS HD1 H 1 10.21 0.01 . 1 . . . . 70 HIS HD1 . 18422 1 506 . 1 2 69 69 HIS C C 13 174.6 0.3 . 1 . . . . 70 HIS C . 18422 1 507 . 1 2 69 69 HIS CA C 13 56.3 0.3 . 1 . . . . 70 HIS CA . 18422 1 508 . 1 2 69 69 HIS CB C 13 28.6 0.3 . 1 . . . . 70 HIS CB . 18422 1 509 . 1 2 69 69 HIS N N 15 107.2 0.1 . 1 . . . . 70 HIS N . 18422 1 510 . 1 2 69 69 HIS ND1 N 15 167.9 0.1 . 1 . . . . 70 HIS ND1 . 18422 1 511 . 1 2 70 70 GLN H H 1 6.73 0.01 . 1 . . . . 71 GLN H . 18422 1 512 . 1 2 70 70 GLN HA H 1 3.62 0.01 . 1 . . . . 71 GLN HA . 18422 1 513 . 1 2 70 70 GLN HE21 H 1 7.53 0.01 . 2 . . . . 71 GLN HE21 . 18422 1 514 . 1 2 70 70 GLN HE22 H 1 6.53 0.01 . 2 . . . . 71 GLN HE22 . 18422 1 515 . 1 2 70 70 GLN C C 13 177.5 0.3 . 1 . . . . 71 GLN C . 18422 1 516 . 1 2 70 70 GLN CA C 13 60.1 0.3 . 1 . . . . 71 GLN CA . 18422 1 517 . 1 2 70 70 GLN CB C 13 28.1 0.3 . 1 . . . . 71 GLN CB . 18422 1 518 . 1 2 70 70 GLN N N 15 121.9 0.1 . 1 . . . . 71 GLN N . 18422 1 519 . 1 2 70 70 GLN NE2 N 15 111.4 0.1 . 1 . . . . 71 GLN NE2 . 18422 1 520 . 1 2 71 71 ASP H H 1 8.52 0.01 . 1 . . . . 72 ASP H . 18422 1 521 . 1 2 71 71 ASP HA H 1 4.27 0.01 . 1 . . . . 72 ASP HA . 18422 1 522 . 1 2 71 71 ASP C C 13 178.4 0.3 . 1 . . . . 72 ASP C . 18422 1 523 . 1 2 71 71 ASP CA C 13 57.5 0.3 . 1 . . . . 72 ASP CA . 18422 1 524 . 1 2 71 71 ASP CB C 13 41.2 0.3 . 1 . . . . 72 ASP CB . 18422 1 525 . 1 2 71 71 ASP N N 15 118.4 0.1 . 1 . . . . 72 ASP N . 18422 1 526 . 1 2 72 72 LEU H H 1 7.12 0.01 . 1 . . . . 73 LEU H . 18422 1 527 . 1 2 72 72 LEU HA H 1 4.13 0.01 . 1 . . . . 73 LEU HA . 18422 1 528 . 1 2 72 72 LEU C C 13 180.4 0.3 . 1 . . . . 73 LEU C . 18422 1 529 . 1 2 72 72 LEU CA C 13 56.5 0.3 . 1 . . . . 73 LEU CA . 18422 1 530 . 1 2 72 72 LEU CB C 13 42.3 0.3 . 1 . . . . 73 LEU CB . 18422 1 531 . 1 2 72 72 LEU N N 15 117.6 0.1 . 1 . . . . 73 LEU N . 18422 1 532 . 1 2 73 73 VAL H H 1 7.41 0.01 . 1 . . . . 74 VAL H . 18422 1 533 . 1 2 73 73 VAL HA H 1 3.53 0.01 . 1 . . . . 74 VAL HA . 18422 1 534 . 1 2 73 73 VAL HB H 1 2.00 0.01 . 1 . . . . 74 VAL HB . 18422 1 535 . 1 2 73 73 VAL HG11 H 1 0.78 0.01 . 2 . . . . 74 VAL HG1 . 18422 1 536 . 1 2 73 73 VAL HG12 H 1 0.78 0.01 . 2 . . . . 74 VAL HG1 . 18422 1 537 . 1 2 73 73 VAL HG13 H 1 0.78 0.01 . 2 . . . . 74 VAL HG1 . 18422 1 538 . 1 2 73 73 VAL HG21 H 1 0.86 0.01 . 2 . . . . 74 VAL HG2 . 18422 1 539 . 1 2 73 73 VAL HG22 H 1 0.86 0.01 . 2 . . . . 74 VAL HG2 . 18422 1 540 . 1 2 73 73 VAL HG23 H 1 0.86 0.01 . 2 . . . . 74 VAL HG2 . 18422 1 541 . 1 2 73 73 VAL C C 13 178.4 0.3 . 1 . . . . 74 VAL C . 18422 1 542 . 1 2 73 73 VAL CA C 13 66.1 0.3 . 1 . . . . 74 VAL CA . 18422 1 543 . 1 2 73 73 VAL CB C 13 32.4 0.3 . 1 . . . . 74 VAL CB . 18422 1 544 . 1 2 73 73 VAL N N 15 120.5 0.1 . 1 . . . . 74 VAL N . 18422 1 545 . 1 2 74 74 GLU H H 1 8.12 0.01 . 1 . . . . 75 GLU H . 18422 1 546 . 1 2 74 74 GLU HA H 1 4.00 0.01 . 1 . . . . 75 GLU HA . 18422 1 547 . 1 2 74 74 GLU HG2 H 1 2.18 0.01 . 2 . . . . 75 GLU HG2 . 18422 1 548 . 1 2 74 74 GLU HG3 H 1 2.32 0.01 . 2 . . . . 75 GLU HG3 . 18422 1 549 . 1 2 74 74 GLU C C 13 178.5 0.3 . 1 . . . . 75 GLU C . 18422 1 550 . 1 2 74 74 GLU CA C 13 59.3 0.3 . 1 . . . . 75 GLU CA . 18422 1 551 . 1 2 74 74 GLU CB C 13 30.6 0.3 . 1 . . . . 75 GLU CB . 18422 1 552 . 1 2 74 74 GLU N N 15 117.1 0.1 . 1 . . . . 75 GLU N . 18422 1 553 . 1 2 75 75 ASN H H 1 8.37 0.01 . 1 . . . . 76 ASN H . 18422 1 554 . 1 2 75 75 ASN HA H 1 5.10 0.01 . 1 . . . . 76 ASN HA . 18422 1 555 . 1 2 75 75 ASN HD21 H 1 7.07 0.01 . 2 . . . . 76 ASN HD21 . 18422 1 556 . 1 2 75 75 ASN HD22 H 1 7.82 0.01 . 2 . . . . 76 ASN HD22 . 18422 1 557 . 1 2 75 75 ASN C C 13 176.0 0.3 . 1 . . . . 76 ASN C . 18422 1 558 . 1 2 75 75 ASN CA C 13 53.9 0.3 . 1 . . . . 76 ASN CA . 18422 1 559 . 1 2 75 75 ASN CB C 13 41.0 0.3 . 1 . . . . 76 ASN CB . 18422 1 560 . 1 2 75 75 ASN N N 15 111.7 0.1 . 1 . . . . 76 ASN N . 18422 1 561 . 1 2 75 75 ASN ND2 N 15 116.4 0.1 . 1 . . . . 76 ASN ND2 . 18422 1 562 . 1 2 76 76 ALA H H 1 7.61 0.01 . 1 . . . . 77 ALA H . 18422 1 563 . 1 2 76 76 ALA HA H 1 4.95 0.01 . 1 . . . . 77 ALA HA . 18422 1 564 . 1 2 76 76 ALA HB1 H 1 1.70 0.01 . 1 . . . . 77 ALA HB . 18422 1 565 . 1 2 76 76 ALA HB2 H 1 1.70 0.01 . 1 . . . . 77 ALA HB . 18422 1 566 . 1 2 76 76 ALA HB3 H 1 1.70 0.01 . 1 . . . . 77 ALA HB . 18422 1 567 . 1 2 76 76 ALA C C 13 177.7 0.3 . 1 . . . . 77 ALA C . 18422 1 568 . 1 2 76 76 ALA CA C 13 51.5 0.3 . 1 . . . . 77 ALA CA . 18422 1 569 . 1 2 76 76 ALA CB C 13 21.2 0.3 . 1 . . . . 77 ALA CB . 18422 1 570 . 1 2 76 76 ALA N N 15 121.7 0.1 . 1 . . . . 77 ALA N . 18422 1 571 . 1 2 77 77 GLY H H 1 8.03 0.01 . 1 . . . . 78 GLY H . 18422 1 572 . 1 2 77 77 GLY HA2 H 1 3.97 0.01 . 2 . . . . 78 GLY HA2 . 18422 1 573 . 1 2 77 77 GLY C C 13 174.9 0.3 . 1 . . . . 78 GLY C . 18422 1 574 . 1 2 77 77 GLY CA C 13 47.0 0.3 . 1 . . . . 78 GLY CA . 18422 1 575 . 1 2 77 77 GLY N N 15 107.4 0.1 . 1 . . . . 78 GLY N . 18422 1 576 . 1 2 78 78 LEU H H 1 7.27 0.01 . 1 . . . . 79 LEU H . 18422 1 577 . 1 2 78 78 LEU HA H 1 4.48 0.01 . 1 . . . . 79 LEU HA . 18422 1 578 . 1 2 78 78 LEU C C 13 177.1 0.3 . 1 . . . . 79 LEU C . 18422 1 579 . 1 2 78 78 LEU CA C 13 56.5 0.3 . 1 . . . . 79 LEU CA . 18422 1 580 . 1 2 78 78 LEU CB C 13 42.3 0.3 . 1 . . . . 79 LEU CB . 18422 1 581 . 1 2 78 78 LEU N N 15 120.8 0.1 . 1 . . . . 79 LEU N . 18422 1 582 . 1 2 79 79 THR H H 1 11.38 0.01 . 1 . . . . 80 THR H . 18422 1 583 . 1 2 79 79 THR HA H 1 4.81 0.01 . 1 . . . . 80 THR HA . 18422 1 584 . 1 2 79 79 THR HB H 1 4.38 0.01 . 1 . . . . 80 THR HB . 18422 1 585 . 1 2 79 79 THR HG21 H 1 1.53 0.01 . 1 . . . . 80 THR HG2 . 18422 1 586 . 1 2 79 79 THR HG22 H 1 1.53 0.01 . 1 . . . . 80 THR HG2 . 18422 1 587 . 1 2 79 79 THR HG23 H 1 1.53 0.01 . 1 . . . . 80 THR HG2 . 18422 1 588 . 1 2 79 79 THR C C 13 175.2 0.3 . 1 . . . . 80 THR C . 18422 1 589 . 1 2 79 79 THR CA C 13 61.1 0.3 . 1 . . . . 80 THR CA . 18422 1 590 . 1 2 79 79 THR CB C 13 70.0 0.3 . 1 . . . . 80 THR CB . 18422 1 591 . 1 2 79 79 THR N N 15 126.1 0.1 . 1 . . . . 80 THR N . 18422 1 592 . 1 2 80 80 ASP H H 1 8.88 0.01 . 1 . . . . 81 ASP H . 18422 1 593 . 1 2 80 80 ASP HA H 1 4.17 0.01 . 1 . . . . 81 ASP HA . 18422 1 594 . 1 2 80 80 ASP C C 13 177.3 0.3 . 1 . . . . 81 ASP C . 18422 1 595 . 1 2 80 80 ASP CA C 13 59.7 0.3 . 1 . . . . 81 ASP CA . 18422 1 596 . 1 2 80 80 ASP CB C 13 41.8 0.3 . 1 . . . . 81 ASP CB . 18422 1 597 . 1 2 80 80 ASP N N 15 121.4 0.1 . 1 . . . . 81 ASP N . 18422 1 598 . 1 2 81 81 VAL H H 1 8.12 0.01 . 1 . . . . 82 VAL H . 18422 1 599 . 1 2 81 81 VAL HA H 1 4.12 0.01 . 1 . . . . 82 VAL HA . 18422 1 600 . 1 2 81 81 VAL HB H 1 1.99 0.01 . 1 . . . . 82 VAL HB . 18422 1 601 . 1 2 81 81 VAL HG11 H 1 0.62 0.01 . 2 . . . . 82 VAL HG1 . 18422 1 602 . 1 2 81 81 VAL HG12 H 1 0.62 0.01 . 2 . . . . 82 VAL HG1 . 18422 1 603 . 1 2 81 81 VAL HG13 H 1 0.62 0.01 . 2 . . . . 82 VAL HG1 . 18422 1 604 . 1 2 81 81 VAL HG21 H 1 0.88 0.01 . 2 . . . . 82 VAL HG2 . 18422 1 605 . 1 2 81 81 VAL HG22 H 1 0.88 0.01 . 2 . . . . 82 VAL HG2 . 18422 1 606 . 1 2 81 81 VAL HG23 H 1 0.88 0.01 . 2 . . . . 82 VAL HG2 . 18422 1 607 . 1 2 81 81 VAL C C 13 177.4 0.3 . 1 . . . . 82 VAL C . 18422 1 608 . 1 2 81 81 VAL CA C 13 65.0 0.3 . 1 . . . . 82 VAL CA . 18422 1 609 . 1 2 81 81 VAL CB C 13 30.8 0.3 . 1 . . . . 82 VAL CB . 18422 1 610 . 1 2 81 81 VAL N N 15 115.0 0.1 . 1 . . . . 82 VAL N . 18422 1 611 . 1 2 82 82 HIS H H 1 7.07 0.01 . 1 . . . . 83 HIS H . 18422 1 612 . 1 2 82 82 HIS HA H 1 4.35 0.01 . 1 . . . . 83 HIS HA . 18422 1 613 . 1 2 82 82 HIS HD2 H 1 7.67 0.01 . 1 . . . . 83 HIS HD2 . 18422 1 614 . 1 2 82 82 HIS HE1 H 1 8.08 0.01 . 1 . . . . 83 HIS HE1 . 18422 1 615 . 1 2 82 82 HIS C C 13 177.7 0.3 . 1 . . . . 83 HIS C . 18422 1 616 . 1 2 82 82 HIS CA C 13 60.1 0.3 . 1 . . . . 83 HIS CA . 18422 1 617 . 1 2 82 82 HIS CB C 13 32.8 0.3 . 1 . . . . 83 HIS CB . 18422 1 618 . 1 2 82 82 HIS N N 15 121.9 0.1 . 1 . . . . 83 HIS N . 18422 1 619 . 1 2 83 83 PHE H H 1 7.90 0.01 . 1 . . . . 84 PHE H . 18422 1 620 . 1 2 83 83 PHE HA H 1 4.49 0.01 . 1 . . . . 84 PHE HA . 18422 1 621 . 1 2 83 83 PHE HD1 H 1 7.39 0.01 . 3 . . . . 84 PHE HD1 . 18422 1 622 . 1 2 83 83 PHE HD2 H 1 7.39 0.01 . 3 . . . . 84 PHE HD2 . 18422 1 623 . 1 2 83 83 PHE HE1 H 1 7.91 0.01 . 3 . . . . 84 PHE HE1 . 18422 1 624 . 1 2 83 83 PHE HE2 H 1 7.91 0.01 . 3 . . . . 84 PHE HE2 . 18422 1 625 . 1 2 83 83 PHE HZ H 1 7.41 0.01 . 1 . . . . 84 PHE HZ . 18422 1 626 . 1 2 83 83 PHE C C 13 177.4 0.3 . 1 . . . . 84 PHE C . 18422 1 627 . 1 2 83 83 PHE CA C 13 62.5 0.3 . 1 . . . . 84 PHE CA . 18422 1 628 . 1 2 83 83 PHE CB C 13 40.2 0.3 . 1 . . . . 84 PHE CB . 18422 1 629 . 1 2 83 83 PHE N N 15 120.1 0.1 . 1 . . . . 84 PHE N . 18422 1 630 . 1 2 84 84 ASP H H 1 9.24 0.01 . 1 . . . . 85 ASP H . 18422 1 631 . 1 2 84 84 ASP HA H 1 4.60 0.01 . 1 . . . . 85 ASP HA . 18422 1 632 . 1 2 84 84 ASP C C 13 178.9 0.3 . 1 . . . . 85 ASP C . 18422 1 633 . 1 2 84 84 ASP CA C 13 57.8 0.3 . 1 . . . . 85 ASP CA . 18422 1 634 . 1 2 84 84 ASP CB C 13 39.8 0.3 . 1 . . . . 85 ASP CB . 18422 1 635 . 1 2 84 84 ASP N N 15 119.7 0.1 . 1 . . . . 85 ASP N . 18422 1 636 . 1 2 85 85 ALA H H 1 7.82 0.01 . 1 . . . . 86 ALA H . 18422 1 637 . 1 2 85 85 ALA HA H 1 4.17 0.01 . 1 . . . . 86 ALA HA . 18422 1 638 . 1 2 85 85 ALA HB1 H 1 1.57 0.01 . 1 . . . . 86 ALA HB . 18422 1 639 . 1 2 85 85 ALA HB2 H 1 1.57 0.01 . 1 . . . . 86 ALA HB . 18422 1 640 . 1 2 85 85 ALA HB3 H 1 1.57 0.01 . 1 . . . . 86 ALA HB . 18422 1 641 . 1 2 85 85 ALA C C 13 179.9 0.3 . 1 . . . . 86 ALA C . 18422 1 642 . 1 2 85 85 ALA CA C 13 55.6 0.3 . 1 . . . . 86 ALA CA . 18422 1 643 . 1 2 85 85 ALA CB C 13 18.0 0.3 . 1 . . . . 86 ALA CB . 18422 1 644 . 1 2 85 85 ALA N N 15 122.6 0.1 . 1 . . . . 86 ALA N . 18422 1 645 . 1 2 86 86 ILE H H 1 8.01 0.01 . 1 . . . . 87 ILE H . 18422 1 646 . 1 2 86 86 ILE HA H 1 3.62 0.01 . 1 . . . . 87 ILE HA . 18422 1 647 . 1 2 86 86 ILE HB H 1 2.53 0.01 . 1 . . . . 87 ILE HB . 18422 1 648 . 1 2 86 86 ILE C C 13 177.3 0.3 . 1 . . . . 87 ILE C . 18422 1 649 . 1 2 86 86 ILE CA C 13 62.8 0.3 . 1 . . . . 87 ILE CA . 18422 1 650 . 1 2 86 86 ILE CB C 13 34.9 0.3 . 1 . . . . 87 ILE CB . 18422 1 651 . 1 2 86 86 ILE N N 15 121.1 0.1 . 1 . . . . 87 ILE N . 18422 1 652 . 1 2 87 87 ALA H H 1 8.05 0.01 . 1 . . . . 88 ALA H . 18422 1 653 . 1 2 87 87 ALA HA H 1 3.78 0.01 . 1 . . . . 88 ALA HA . 18422 1 654 . 1 2 87 87 ALA HB1 H 1 1.47 0.01 . 1 . . . . 88 ALA HB . 18422 1 655 . 1 2 87 87 ALA HB2 H 1 1.47 0.01 . 1 . . . . 88 ALA HB . 18422 1 656 . 1 2 87 87 ALA HB3 H 1 1.47 0.01 . 1 . . . . 88 ALA HB . 18422 1 657 . 1 2 87 87 ALA C C 13 179.4 0.3 . 1 . . . . 88 ALA C . 18422 1 658 . 1 2 87 87 ALA CA C 13 56.0 0.3 . 1 . . . . 88 ALA CA . 18422 1 659 . 1 2 87 87 ALA CB C 13 17.0 0.3 . 1 . . . . 88 ALA CB . 18422 1 660 . 1 2 87 87 ALA N N 15 122.7 0.1 . 1 . . . . 88 ALA N . 18422 1 661 . 1 2 88 88 GLU H H 1 8.32 0.01 . 1 . . . . 89 GLU H . 18422 1 662 . 1 2 88 88 GLU HA H 1 3.94 0.01 . 1 . . . . 89 GLU HA . 18422 1 663 . 1 2 88 88 GLU C C 13 178.8 0.3 . 1 . . . . 89 GLU C . 18422 1 664 . 1 2 88 88 GLU CA C 13 59.4 0.3 . 1 . . . . 89 GLU CA . 18422 1 665 . 1 2 88 88 GLU CB C 13 30.3 0.3 . 1 . . . . 89 GLU CB . 18422 1 666 . 1 2 88 88 GLU N N 15 118.1 0.1 . 1 . . . . 89 GLU N . 18422 1 667 . 1 2 89 89 ASN H H 1 8.13 0.01 . 1 . . . . 90 ASN H . 18422 1 668 . 1 2 89 89 ASN HA H 1 4.44 0.01 . 1 . . . . 90 ASN HA . 18422 1 669 . 1 2 89 89 ASN HD21 H 1 8.84 0.01 . 2 . . . . 90 ASN HD21 . 18422 1 670 . 1 2 89 89 ASN HD22 H 1 5.48 0.01 . 2 . . . . 90 ASN HD22 . 18422 1 671 . 1 2 89 89 ASN C C 13 178.8 0.3 . 1 . . . . 90 ASN C . 18422 1 672 . 1 2 89 89 ASN CA C 13 56.8 0.3 . 1 . . . . 90 ASN CA . 18422 1 673 . 1 2 89 89 ASN CB C 13 39.4 0.3 . 1 . . . . 90 ASN CB . 18422 1 674 . 1 2 89 89 ASN N N 15 116.3 0.1 . 1 . . . . 90 ASN N . 18422 1 675 . 1 2 89 89 ASN ND2 N 15 111.3 0.1 . 1 . . . . 90 ASN ND2 . 18422 1 676 . 1 2 90 90 LEU H H 1 8.24 0.01 . 1 . . . . 91 LEU H . 18422 1 677 . 1 2 90 90 LEU HA H 1 3.91 0.01 . 1 . . . . 91 LEU HA . 18422 1 678 . 1 2 90 90 LEU C C 13 177.6 0.3 . 1 . . . . 91 LEU C . 18422 1 679 . 1 2 90 90 LEU CA C 13 58.5 0.3 . 1 . . . . 91 LEU CA . 18422 1 680 . 1 2 90 90 LEU CB C 13 40.8 0.3 . 1 . . . . 91 LEU CB . 18422 1 681 . 1 2 90 90 LEU N N 15 125.1 0.1 . 1 . . . . 91 LEU N . 18422 1 682 . 1 2 91 91 VAL H H 1 8.13 0.01 . 1 . . . . 92 VAL H . 18422 1 683 . 1 2 91 91 VAL HA H 1 3.27 0.01 . 1 . . . . 92 VAL HA . 18422 1 684 . 1 2 91 91 VAL HB H 1 2.16 0.01 . 1 . . . . 92 VAL HB . 18422 1 685 . 1 2 91 91 VAL HG11 H 1 0.86 0.01 . 2 . . . . 92 VAL HG1 . 18422 1 686 . 1 2 91 91 VAL HG12 H 1 0.86 0.01 . 2 . . . . 92 VAL HG1 . 18422 1 687 . 1 2 91 91 VAL HG13 H 1 0.86 0.01 . 2 . . . . 92 VAL HG1 . 18422 1 688 . 1 2 91 91 VAL HG21 H 1 0.91 0.01 . 2 . . . . 92 VAL HG2 . 18422 1 689 . 1 2 91 91 VAL HG22 H 1 0.91 0.01 . 2 . . . . 92 VAL HG2 . 18422 1 690 . 1 2 91 91 VAL HG23 H 1 0.91 0.01 . 2 . . . . 92 VAL HG2 . 18422 1 691 . 1 2 91 91 VAL C C 13 178.0 0.3 . 1 . . . . 92 VAL C . 18422 1 692 . 1 2 91 91 VAL CA C 13 68.6 0.3 . 1 . . . . 92 VAL CA . 18422 1 693 . 1 2 91 91 VAL CB C 13 31.4 0.3 . 1 . . . . 92 VAL CB . 18422 1 694 . 1 2 91 91 VAL N N 15 121.5 0.1 . 1 . . . . 92 VAL N . 18422 1 695 . 1 2 92 92 LEU H H 1 8.64 0.01 . 1 . . . . 93 LEU H . 18422 1 696 . 1 2 92 92 LEU HA H 1 4.08 0.01 . 1 . . . . 93 LEU HA . 18422 1 697 . 1 2 92 92 LEU C C 13 179.8 0.3 . 1 . . . . 93 LEU C . 18422 1 698 . 1 2 92 92 LEU CA C 13 58.0 0.3 . 1 . . . . 93 LEU CA . 18422 1 699 . 1 2 92 92 LEU CB C 13 42.2 0.3 . 1 . . . . 93 LEU CB . 18422 1 700 . 1 2 92 92 LEU N N 15 118.2 0.1 . 1 . . . . 93 LEU N . 18422 1 701 . 1 2 93 93 THR H H 1 7.56 0.01 . 1 . . . . 94 THR H . 18422 1 702 . 1 2 93 93 THR HA H 1 3.48 0.01 . 1 . . . . 94 THR HA . 18422 1 703 . 1 2 93 93 THR HB H 1 4.55 0.01 . 1 . . . . 94 THR HB . 18422 1 704 . 1 2 93 93 THR HG21 H 1 1.18 0.01 . 1 . . . . 94 THR HG2 . 18422 1 705 . 1 2 93 93 THR HG22 H 1 1.18 0.01 . 1 . . . . 94 THR HG2 . 18422 1 706 . 1 2 93 93 THR HG23 H 1 1.18 0.01 . 1 . . . . 94 THR HG2 . 18422 1 707 . 1 2 93 93 THR C C 13 175.3 0.3 . 1 . . . . 94 THR C . 18422 1 708 . 1 2 93 93 THR CA C 13 68.3 0.3 . 1 . . . . 94 THR CA . 18422 1 709 . 1 2 93 93 THR N N 15 115.9 0.1 . 1 . . . . 94 THR N . 18422 1 710 . 1 2 94 94 LEU H H 1 7.77 0.01 . 1 . . . . 95 LEU H . 18422 1 711 . 1 2 94 94 LEU HA H 1 3.87 0.01 . 1 . . . . 95 LEU HA . 18422 1 712 . 1 2 94 94 LEU C C 13 179.0 0.3 . 1 . . . . 95 LEU C . 18422 1 713 . 1 2 94 94 LEU CA C 13 58.1 0.3 . 1 . . . . 95 LEU CA . 18422 1 714 . 1 2 94 94 LEU CB C 13 40.8 0.3 . 1 . . . . 95 LEU CB . 18422 1 715 . 1 2 94 94 LEU N N 15 118.9 0.1 . 1 . . . . 95 LEU N . 18422 1 716 . 1 2 95 95 GLN H H 1 8.60 0.01 . 1 . . . . 96 GLN H . 18422 1 717 . 1 2 95 95 GLN HA H 1 4.06 0.01 . 1 . . . . 96 GLN HA . 18422 1 718 . 1 2 95 95 GLN HE21 H 1 7.37 0.01 . 2 . . . . 96 GLN HE21 . 18422 1 719 . 1 2 95 95 GLN HE22 H 1 6.63 0.01 . 2 . . . . 96 GLN HE22 . 18422 1 720 . 1 2 95 95 GLN C C 13 181.2 0.3 . 1 . . . . 96 GLN C . 18422 1 721 . 1 2 95 95 GLN CA C 13 59.5 0.3 . 1 . . . . 96 GLN CA . 18422 1 722 . 1 2 95 95 GLN CB C 13 28.1 0.3 . 1 . . . . 96 GLN CB . 18422 1 723 . 1 2 95 95 GLN N N 15 119.0 0.1 . 1 . . . . 96 GLN N . 18422 1 724 . 1 2 95 95 GLN NE2 N 15 110.1 0.1 . 1 . . . . 96 GLN NE2 . 18422 1 725 . 1 2 96 96 GLU H H 1 8.27 0.01 . 1 . . . . 97 GLU H . 18422 1 726 . 1 2 96 96 GLU HA H 1 4.05 0.01 . 1 . . . . 97 GLU HA . 18422 1 727 . 1 2 96 96 GLU C C 13 178.2 0.3 . 1 . . . . 97 GLU C . 18422 1 728 . 1 2 96 96 GLU CA C 13 59.0 0.3 . 1 . . . . 97 GLU CA . 18422 1 729 . 1 2 96 96 GLU CB C 13 29.5 0.3 . 1 . . . . 97 GLU CB . 18422 1 730 . 1 2 96 96 GLU N N 15 121.9 0.1 . 1 . . . . 97 GLU N . 18422 1 731 . 1 2 97 97 LEU H H 1 7.40 0.01 . 1 . . . . 98 LEU H . 18422 1 732 . 1 2 97 97 LEU HA H 1 4.28 0.01 . 1 . . . . 98 LEU HA . 18422 1 733 . 1 2 97 97 LEU C C 13 175.8 0.3 . 1 . . . . 98 LEU C . 18422 1 734 . 1 2 97 97 LEU CA C 13 54.8 0.3 . 1 . . . . 98 LEU CA . 18422 1 735 . 1 2 97 97 LEU CB C 13 42.0 0.3 . 1 . . . . 98 LEU CB . 18422 1 736 . 1 2 97 97 LEU N N 15 118.6 0.1 . 1 . . . . 98 LEU N . 18422 1 737 . 1 2 98 98 ASN H H 1 8.08 0.01 . 1 . . . . 99 ASN H . 18422 1 738 . 1 2 98 98 ASN HA H 1 4.31 0.01 . 1 . . . . 99 ASN HA . 18422 1 739 . 1 2 98 98 ASN HD21 H 1 6.75 0.01 . 2 . . . . 99 ASN HD21 . 18422 1 740 . 1 2 98 98 ASN HD22 H 1 7.47 0.01 . 2 . . . . 99 ASN HD22 . 18422 1 741 . 1 2 98 98 ASN C C 13 174.5 0.3 . 1 . . . . 99 ASN C . 18422 1 742 . 1 2 98 98 ASN CA C 13 54.4 0.3 . 1 . . . . 99 ASN CA . 18422 1 743 . 1 2 98 98 ASN CB C 13 36.8 0.3 . 1 . . . . 99 ASN CB . 18422 1 744 . 1 2 98 98 ASN N N 15 115.0 0.1 . 1 . . . . 99 ASN N . 18422 1 745 . 1 2 98 98 ASN ND2 N 15 112.5 0.1 . 1 . . . . 99 ASN ND2 . 18422 1 746 . 1 2 99 99 VAL H H 1 7.60 0.01 . 1 . . . . 100 VAL H . 18422 1 747 . 1 2 99 99 VAL HA H 1 3.75 0.01 . 1 . . . . 100 VAL HA . 18422 1 748 . 1 2 99 99 VAL HB H 1 1.56 0.01 . 1 . . . . 100 VAL HB . 18422 1 749 . 1 2 99 99 VAL HG11 H 1 0.95 0.01 . 2 . . . . 100 VAL HG1 . 18422 1 750 . 1 2 99 99 VAL HG12 H 1 0.95 0.01 . 2 . . . . 100 VAL HG1 . 18422 1 751 . 1 2 99 99 VAL HG13 H 1 0.95 0.01 . 2 . . . . 100 VAL HG1 . 18422 1 752 . 1 2 99 99 VAL HG21 H 1 0.90 0.01 . 2 . . . . 100 VAL HG2 . 18422 1 753 . 1 2 99 99 VAL HG22 H 1 0.90 0.01 . 2 . . . . 100 VAL HG2 . 18422 1 754 . 1 2 99 99 VAL HG23 H 1 0.90 0.01 . 2 . . . . 100 VAL HG2 . 18422 1 755 . 1 2 99 99 VAL C C 13 175.3 0.3 . 1 . . . . 100 VAL C . 18422 1 756 . 1 2 99 99 VAL CA C 13 63.1 0.3 . 1 . . . . 100 VAL CA . 18422 1 757 . 1 2 99 99 VAL CB C 13 31.6 0.3 . 1 . . . . 100 VAL CB . 18422 1 758 . 1 2 99 99 VAL N N 15 120.2 0.1 . 1 . . . . 100 VAL N . 18422 1 759 . 1 2 100 100 SER H H 1 8.36 0.01 . 1 . . . . 101 SER H . 18422 1 760 . 1 2 100 100 SER HA H 1 4.17 0.01 . 1 . . . . 101 SER HA . 18422 1 761 . 1 2 100 100 SER C C 13 176.1 0.3 . 1 . . . . 101 SER C . 18422 1 762 . 1 2 100 100 SER CA C 13 58.9 0.3 . 1 . . . . 101 SER CA . 18422 1 763 . 1 2 100 100 SER CB C 13 63.9 0.3 . 1 . . . . 101 SER CB . 18422 1 764 . 1 2 100 100 SER N N 15 121.6 0.1 . 1 . . . . 101 SER N . 18422 1 765 . 1 2 101 101 GLN H H 1 8.92 0.01 . 1 . . . . 102 GLN H . 18422 1 766 . 1 2 101 101 GLN HA H 1 3.66 0.01 . 1 . . . . 102 GLN HA . 18422 1 767 . 1 2 101 101 GLN HE21 H 1 6.57 0.01 . 2 . . . . 102 GLN HE21 . 18422 1 768 . 1 2 101 101 GLN HE22 H 1 7.92 0.01 . 2 . . . . 102 GLN HE22 . 18422 1 769 . 1 2 101 101 GLN C C 13 176.4 0.3 . 1 . . . . 102 GLN C . 18422 1 770 . 1 2 101 101 GLN CA C 13 58.6 0.3 . 1 . . . . 102 GLN CA . 18422 1 771 . 1 2 101 101 GLN CB C 13 28.4 0.3 . 1 . . . . 102 GLN CB . 18422 1 772 . 1 2 101 101 GLN N N 15 124.6 0.1 . 1 . . . . 102 GLN N . 18422 1 773 . 1 2 101 101 GLN NE2 N 15 115.4 0.1 . 1 . . . . 102 GLN NE2 . 18422 1 774 . 1 2 102 102 ASP H H 1 8.54 0.01 . 1 . . . . 103 ASP H . 18422 1 775 . 1 2 102 102 ASP HA H 1 4.32 0.01 . 1 . . . . 103 ASP HA . 18422 1 776 . 1 2 102 102 ASP C C 13 178.9 0.3 . 1 . . . . 103 ASP C . 18422 1 777 . 1 2 102 102 ASP CA C 13 56.8 0.3 . 1 . . . . 103 ASP CA . 18422 1 778 . 1 2 102 102 ASP CB C 13 39.2 0.3 . 1 . . . . 103 ASP CB . 18422 1 779 . 1 2 102 102 ASP N N 15 115.5 0.1 . 1 . . . . 103 ASP N . 18422 1 780 . 1 2 103 103 LEU H H 1 7.27 0.01 . 1 . . . . 104 LEU H . 18422 1 781 . 1 2 103 103 LEU HA H 1 4.09 0.01 . 1 . . . . 104 LEU HA . 18422 1 782 . 1 2 103 103 LEU C C 13 179.1 0.3 . 1 . . . . 104 LEU C . 18422 1 783 . 1 2 103 103 LEU CA C 13 56.9 0.3 . 1 . . . . 104 LEU CA . 18422 1 784 . 1 2 103 103 LEU CB C 13 40.7 0.3 . 1 . . . . 104 LEU CB . 18422 1 785 . 1 2 103 103 LEU N N 15 120.1 0.1 . 1 . . . . 104 LEU N . 18422 1 786 . 1 2 104 104 ILE H H 1 7.94 0.01 . 1 . . . . 105 ILE H . 18422 1 787 . 1 2 104 104 ILE HA H 1 3.23 0.01 . 1 . . . . 105 ILE HA . 18422 1 788 . 1 2 104 104 ILE HB H 1 1.92 0.01 . 1 . . . . 105 ILE HB . 18422 1 789 . 1 2 104 104 ILE C C 13 177.8 0.3 . 1 . . . . 105 ILE C . 18422 1 790 . 1 2 104 104 ILE CA C 13 67.1 0.3 . 1 . . . . 105 ILE CA . 18422 1 791 . 1 2 104 104 ILE CB C 13 37.0 0.3 . 1 . . . . 105 ILE CB . 18422 1 792 . 1 2 104 104 ILE N N 15 121.2 0.1 . 1 . . . . 105 ILE N . 18422 1 793 . 1 2 105 105 ASP H H 1 8.75 0.01 . 1 . . . . 106 ASP H . 18422 1 794 . 1 2 105 105 ASP HA H 1 4.30 0.01 . 1 . . . . 106 ASP HA . 18422 1 795 . 1 2 105 105 ASP C C 13 179.5 0.3 . 1 . . . . 106 ASP C . 18422 1 796 . 1 2 105 105 ASP CA C 13 57.6 0.3 . 1 . . . . 106 ASP CA . 18422 1 797 . 1 2 105 105 ASP CB C 13 39.7 0.3 . 1 . . . . 106 ASP CB . 18422 1 798 . 1 2 105 105 ASP N N 15 118.8 0.1 . 1 . . . . 106 ASP N . 18422 1 799 . 1 2 106 106 GLU H H 1 7.33 0.01 . 1 . . . . 107 GLU H . 18422 1 800 . 1 2 106 106 GLU HA H 1 4.08 0.01 . 1 . . . . 107 GLU HA . 18422 1 801 . 1 2 106 106 GLU C C 13 179.6 0.3 . 1 . . . . 107 GLU C . 18422 1 802 . 1 2 106 106 GLU CA C 13 60.2 0.3 . 1 . . . . 107 GLU CA . 18422 1 803 . 1 2 106 106 GLU CB C 13 29.9 0.3 . 1 . . . . 107 GLU CB . 18422 1 804 . 1 2 106 106 GLU N N 15 120.7 0.1 . 1 . . . . 107 GLU N . 18422 1 805 . 1 2 107 107 VAL H H 1 8.28 0.01 . 1 . . . . 108 VAL H . 18422 1 806 . 1 2 107 107 VAL HA H 1 3.43 0.01 . 1 . . . . 108 VAL HA . 18422 1 807 . 1 2 107 107 VAL HB H 1 2.33 0.01 . 1 . . . . 108 VAL HB . 18422 1 808 . 1 2 107 107 VAL HG11 H 1 0.86 0.01 . 2 . . . . 108 VAL HG1 . 18422 1 809 . 1 2 107 107 VAL HG12 H 1 0.86 0.01 . 2 . . . . 108 VAL HG1 . 18422 1 810 . 1 2 107 107 VAL HG13 H 1 0.86 0.01 . 2 . . . . 108 VAL HG1 . 18422 1 811 . 1 2 107 107 VAL HG21 H 1 0.62 0.01 . 2 . . . . 108 VAL HG2 . 18422 1 812 . 1 2 107 107 VAL HG22 H 1 0.62 0.01 . 2 . . . . 108 VAL HG2 . 18422 1 813 . 1 2 107 107 VAL HG23 H 1 0.62 0.01 . 2 . . . . 108 VAL HG2 . 18422 1 814 . 1 2 107 107 VAL C C 13 179.2 0.3 . 1 . . . . 108 VAL C . 18422 1 815 . 1 2 107 107 VAL CA C 13 67.2 0.3 . 1 . . . . 108 VAL CA . 18422 1 816 . 1 2 107 107 VAL CB C 13 31.3 0.3 . 1 . . . . 108 VAL CB . 18422 1 817 . 1 2 107 107 VAL N N 15 121.8 0.1 . 1 . . . . 108 VAL N . 18422 1 818 . 1 2 108 108 VAL H H 1 9.01 0.01 . 1 . . . . 109 VAL H . 18422 1 819 . 1 2 108 108 VAL HA H 1 3.52 0.01 . 1 . . . . 109 VAL HA . 18422 1 820 . 1 2 108 108 VAL HB H 1 2.23 0.01 . 1 . . . . 109 VAL HB . 18422 1 821 . 1 2 108 108 VAL HG11 H 1 0.95 0.01 . 2 . . . . 109 VAL HG1 . 18422 1 822 . 1 2 108 108 VAL HG12 H 1 0.95 0.01 . 2 . . . . 109 VAL HG1 . 18422 1 823 . 1 2 108 108 VAL HG13 H 1 0.95 0.01 . 2 . . . . 109 VAL HG1 . 18422 1 824 . 1 2 108 108 VAL HG21 H 1 0.99 0.01 . 2 . . . . 109 VAL HG2 . 18422 1 825 . 1 2 108 108 VAL HG22 H 1 0.99 0.01 . 2 . . . . 109 VAL HG2 . 18422 1 826 . 1 2 108 108 VAL HG23 H 1 0.99 0.01 . 2 . . . . 109 VAL HG2 . 18422 1 827 . 1 2 108 108 VAL C C 13 178.9 0.3 . 1 . . . . 109 VAL C . 18422 1 828 . 1 2 108 108 VAL CA C 13 67.3 0.3 . 1 . . . . 109 VAL CA . 18422 1 829 . 1 2 108 108 VAL CB C 13 31.5 0.3 . 1 . . . . 109 VAL CB . 18422 1 830 . 1 2 108 108 VAL N N 15 121.8 0.1 . 1 . . . . 109 VAL N . 18422 1 831 . 1 2 109 109 THR H H 1 7.90 0.01 . 1 . . . . 110 THR H . 18422 1 832 . 1 2 109 109 THR HA H 1 4.10 0.01 . 1 . . . . 110 THR HA . 18422 1 833 . 1 2 109 109 THR HB H 1 4.42 0.01 . 1 . . . . 110 THR HB . 18422 1 834 . 1 2 109 109 THR HG21 H 1 1.40 0.01 . 1 . . . . 110 THR HG2 . 18422 1 835 . 1 2 109 109 THR HG22 H 1 1.40 0.01 . 1 . . . . 110 THR HG2 . 18422 1 836 . 1 2 109 109 THR HG23 H 1 1.40 0.01 . 1 . . . . 110 THR HG2 . 18422 1 837 . 1 2 109 109 THR C C 13 174.7 0.3 . 1 . . . . 110 THR C . 18422 1 838 . 1 2 109 109 THR CA C 13 66.1 0.3 . 1 . . . . 110 THR CA . 18422 1 839 . 1 2 109 109 THR CB C 13 69.3 0.3 . 1 . . . . 110 THR CB . 18422 1 840 . 1 2 109 109 THR N N 15 115.9 0.1 . 1 . . . . 110 THR N . 18422 1 841 . 1 2 110 110 ILE H H 1 7.50 0.01 . 1 . . . . 111 ILE H . 18422 1 842 . 1 2 110 110 ILE HA H 1 4.22 0.01 . 1 . . . . 111 ILE HA . 18422 1 843 . 1 2 110 110 ILE HB H 1 2.17 0.01 . 1 . . . . 111 ILE HB . 18422 1 844 . 1 2 110 110 ILE C C 13 178.9 0.3 . 1 . . . . 111 ILE C . 18422 1 845 . 1 2 110 110 ILE CA C 13 64.4 0.3 . 1 . . . . 111 ILE CA . 18422 1 846 . 1 2 110 110 ILE CB C 13 40.1 0.3 . 1 . . . . 111 ILE CB . 18422 1 847 . 1 2 110 110 ILE N N 15 120.5 0.1 . 1 . . . . 111 ILE N . 18422 1 848 . 1 2 111 111 VAL H H 1 8.64 0.01 . 1 . . . . 112 VAL H . 18422 1 849 . 1 2 111 111 VAL HA H 1 4.41 0.01 . 1 . . . . 112 VAL HA . 18422 1 850 . 1 2 111 111 VAL HB H 1 2.49 0.01 . 1 . . . . 112 VAL HB . 18422 1 851 . 1 2 111 111 VAL HG11 H 1 0.96 0.01 . 2 . . . . 112 VAL HG1 . 18422 1 852 . 1 2 111 111 VAL HG12 H 1 0.96 0.01 . 2 . . . . 112 VAL HG1 . 18422 1 853 . 1 2 111 111 VAL HG13 H 1 0.96 0.01 . 2 . . . . 112 VAL HG1 . 18422 1 854 . 1 2 111 111 VAL HG21 H 1 1.05 0.01 . 2 . . . . 112 VAL HG2 . 18422 1 855 . 1 2 111 111 VAL HG22 H 1 1.05 0.01 . 2 . . . . 112 VAL HG2 . 18422 1 856 . 1 2 111 111 VAL HG23 H 1 1.05 0.01 . 2 . . . . 112 VAL HG2 . 18422 1 857 . 1 2 111 111 VAL C C 13 174.2 0.3 . 1 . . . . 112 VAL C . 18422 1 858 . 1 2 111 111 VAL CA C 13 63.6 0.3 . 1 . . . . 112 VAL CA . 18422 1 859 . 1 2 111 111 VAL CB C 13 32.0 0.3 . 1 . . . . 112 VAL CB . 18422 1 860 . 1 2 111 111 VAL N N 15 111.6 0.1 . 1 . . . . 112 VAL N . 18422 1 861 . 1 2 112 112 GLY H H 1 8.40 0.01 . 1 . . . . 113 GLY H . 18422 1 862 . 1 2 112 112 GLY HA2 H 1 5.02 0.01 . 2 . . . . 113 GLY HA2 . 18422 1 863 . 1 2 112 112 GLY HA3 H 1 3.81 0.01 . 2 . . . . 113 GLY HA3 . 18422 1 864 . 1 2 112 112 GLY C C 13 175.4 0.3 . 1 . . . . 113 GLY C . 18422 1 865 . 1 2 112 112 GLY CA C 13 44.0 0.3 . 1 . . . . 113 GLY CA . 18422 1 866 . 1 2 112 112 GLY N N 15 105.7 0.1 . 1 . . . . 113 GLY N . 18422 1 867 . 1 2 113 113 SER H H 1 7.25 0.01 . 1 . . . . 114 SER H . 18422 1 868 . 1 2 113 113 SER HA H 1 4.52 0.01 . 1 . . . . 114 SER HA . 18422 1 869 . 1 2 113 113 SER C C 13 174.3 0.3 . 1 . . . . 114 SER C . 18422 1 870 . 1 2 113 113 SER CA C 13 57.8 0.3 . 1 . . . . 114 SER CA . 18422 1 871 . 1 2 113 113 SER CB C 13 65.3 0.3 . 1 . . . . 114 SER CB . 18422 1 872 . 1 2 113 113 SER N N 15 116.0 0.1 . 1 . . . . 114 SER N . 18422 1 873 . 1 2 114 114 VAL H H 1 8.75 0.01 . 1 . . . . 115 VAL H . 18422 1 874 . 1 2 114 114 VAL HA H 1 3.76 0.01 . 1 . . . . 115 VAL HA . 18422 1 875 . 1 2 114 114 VAL HB H 1 2.01 0.01 . 1 . . . . 115 VAL HB . 18422 1 876 . 1 2 114 114 VAL HG11 H 1 0.92 0.01 . 2 . . . . 115 VAL HG1 . 18422 1 877 . 1 2 114 114 VAL HG12 H 1 0.92 0.01 . 2 . . . . 115 VAL HG1 . 18422 1 878 . 1 2 114 114 VAL HG13 H 1 0.92 0.01 . 2 . . . . 115 VAL HG1 . 18422 1 879 . 1 2 114 114 VAL HG21 H 1 1.07 0.01 . 2 . . . . 115 VAL HG2 . 18422 1 880 . 1 2 114 114 VAL HG22 H 1 1.07 0.01 . 2 . . . . 115 VAL HG2 . 18422 1 881 . 1 2 114 114 VAL HG23 H 1 1.07 0.01 . 2 . . . . 115 VAL HG2 . 18422 1 882 . 1 2 114 114 VAL C C 13 177.2 0.3 . 1 . . . . 115 VAL C . 18422 1 883 . 1 2 114 114 VAL CA C 13 65.6 0.3 . 1 . . . . 115 VAL CA . 18422 1 884 . 1 2 114 114 VAL CB C 13 31.9 0.3 . 1 . . . . 115 VAL CB . 18422 1 885 . 1 2 114 114 VAL N N 15 122.2 0.1 . 1 . . . . 115 VAL N . 18422 1 886 . 1 2 115 115 GLN H H 1 8.15 0.01 . 1 . . . . 116 GLN H . 18422 1 887 . 1 2 115 115 GLN HA H 1 3.96 0.01 . 1 . . . . 116 GLN HA . 18422 1 888 . 1 2 115 115 GLN HE21 H 1 6.99 0.01 . 2 . . . . 116 GLN HE21 . 18422 1 889 . 1 2 115 115 GLN HE22 H 1 7.81 0.01 . 2 . . . . 116 GLN HE22 . 18422 1 890 . 1 2 115 115 GLN C C 13 177.6 0.3 . 1 . . . . 116 GLN C . 18422 1 891 . 1 2 115 115 GLN CA C 13 59.4 0.3 . 1 . . . . 116 GLN CA . 18422 1 892 . 1 2 115 115 GLN CB C 13 28.4 0.3 . 1 . . . . 116 GLN CB . 18422 1 893 . 1 2 115 115 GLN N N 15 118.7 0.1 . 1 . . . . 116 GLN N . 18422 1 894 . 1 2 115 115 GLN NE2 N 15 114.8 0.1 . 1 . . . . 116 GLN NE2 . 18422 1 895 . 1 2 116 116 HIS H H 1 8.14 0.01 . 1 . . . . 117 HIS H . 18422 1 896 . 1 2 116 116 HIS HA H 1 4.67 0.01 . 1 . . . . 117 HIS HA . 18422 1 897 . 1 2 116 116 HIS HD2 H 1 8.44 0.01 . 1 . . . . 117 HIS HD2 . 18422 1 898 . 1 2 116 116 HIS HE1 H 1 7.32 0.01 . 1 . . . . 117 HIS HE1 . 18422 1 899 . 1 2 116 116 HIS C C 13 176.6 0.3 . 1 . . . . 117 HIS C . 18422 1 900 . 1 2 116 116 HIS CA C 13 59.6 0.3 . 1 . . . . 117 HIS CA . 18422 1 901 . 1 2 116 116 HIS CB C 13 31.8 0.3 . 1 . . . . 117 HIS CB . 18422 1 902 . 1 2 116 116 HIS N N 15 120.0 0.1 . 1 . . . . 117 HIS N . 18422 1 903 . 1 2 117 117 ARG H H 1 8.16 0.01 . 1 . . . . 118 ARG H . 18422 1 904 . 1 2 117 117 ARG C C 13 177.2 0.3 . 1 . . . . 118 ARG C . 18422 1 905 . 1 2 117 117 ARG CA C 13 60.2 0.3 . 1 . . . . 118 ARG CA . 18422 1 906 . 1 2 117 117 ARG CB C 13 30.5 0.3 . 1 . . . . 118 ARG CB . 18422 1 907 . 1 2 117 117 ARG N N 15 119.5 0.1 . 1 . . . . 118 ARG N . 18422 1 908 . 1 2 118 118 ASN H H 1 8.45 0.01 . 1 . . . . 119 ASN H . 18422 1 909 . 1 2 118 118 ASN HA H 1 3.97 0.01 . 1 . . . . 119 ASN HA . 18422 1 910 . 1 2 118 118 ASN HD21 H 1 7.29 0.01 . 2 . . . . 119 ASN HD21 . 18422 1 911 . 1 2 118 118 ASN HD22 H 1 6.54 0.01 . 2 . . . . 119 ASN HD22 . 18422 1 912 . 1 2 118 118 ASN C C 13 177.1 0.3 . 1 . . . . 119 ASN C . 18422 1 913 . 1 2 118 118 ASN CA C 13 55.2 0.3 . 1 . . . . 119 ASN CA . 18422 1 914 . 1 2 118 118 ASN CB C 13 36.9 0.3 . 1 . . . . 119 ASN CB . 18422 1 915 . 1 2 118 118 ASN N N 15 115.6 0.1 . 1 . . . . 119 ASN N . 18422 1 916 . 1 2 118 118 ASN ND2 N 15 109.7 0.1 . 1 . . . . 119 ASN ND2 . 18422 1 917 . 1 2 119 119 ASP H H 1 7.82 0.01 . 1 . . . . 120 ASP H . 18422 1 918 . 1 2 119 119 ASP HA H 1 4.13 0.01 . 1 . . . . 120 ASP HA . 18422 1 919 . 1 2 119 119 ASP C C 13 177.3 0.3 . 1 . . . . 120 ASP C . 18422 1 920 . 1 2 119 119 ASP CA C 13 56.9 0.3 . 1 . . . . 120 ASP CA . 18422 1 921 . 1 2 119 119 ASP CB C 13 40.9 0.3 . 1 . . . . 120 ASP CB . 18422 1 922 . 1 2 119 119 ASP N N 15 119.6 0.1 . 1 . . . . 120 ASP N . 18422 1 923 . 1 2 120 120 VAL H H 1 7.87 0.01 . 1 . . . . 121 VAL H . 18422 1 924 . 1 2 120 120 VAL HA H 1 1.96 0.01 . 1 . . . . 121 VAL HA . 18422 1 925 . 1 2 120 120 VAL HB H 1 1.24 0.01 . 1 . . . . 121 VAL HB . 18422 1 926 . 1 2 120 120 VAL HG11 H 1 -0.62 0.01 . 2 . . . . 121 VAL HG1 . 18422 1 927 . 1 2 120 120 VAL HG12 H 1 -0.62 0.01 . 2 . . . . 121 VAL HG1 . 18422 1 928 . 1 2 120 120 VAL HG13 H 1 -0.62 0.01 . 2 . . . . 121 VAL HG1 . 18422 1 929 . 1 2 120 120 VAL HG21 H 1 -0.67 0.01 . 2 . . . . 121 VAL HG2 . 18422 1 930 . 1 2 120 120 VAL HG22 H 1 -0.67 0.01 . 2 . . . . 121 VAL HG2 . 18422 1 931 . 1 2 120 120 VAL HG23 H 1 -0.67 0.01 . 2 . . . . 121 VAL HG2 . 18422 1 932 . 1 2 120 120 VAL C C 13 175.5 0.3 . 1 . . . . 121 VAL C . 18422 1 933 . 1 2 120 120 VAL CA C 13 66.0 0.3 . 1 . . . . 121 VAL CA . 18422 1 934 . 1 2 120 120 VAL CB C 13 30.7 0.3 . 1 . . . . 121 VAL CB . 18422 1 935 . 1 2 120 120 VAL N N 15 119.0 0.1 . 1 . . . . 121 VAL N . 18422 1 936 . 1 2 121 121 LEU H H 1 7.52 0.01 . 1 . . . . 122 LEU H . 18422 1 937 . 1 2 121 121 LEU HA H 1 3.85 0.01 . 1 . . . . 122 LEU HA . 18422 1 938 . 1 2 121 121 LEU C C 13 175.2 0.3 . 1 . . . . 122 LEU C . 18422 1 939 . 1 2 121 121 LEU CA C 13 53.8 0.3 . 1 . . . . 122 LEU CA . 18422 1 940 . 1 2 121 121 LEU CB C 13 38.5 0.3 . 1 . . . . 122 LEU CB . 18422 1 941 . 1 2 121 121 LEU N N 15 109.4 0.1 . 1 . . . . 122 LEU N . 18422 1 942 . 1 2 122 122 ASN H H 1 7.59 0.01 . 1 . . . . 123 ASN H . 18422 1 943 . 1 2 122 122 ASN HA H 1 3.81 0.01 . 1 . . . . 123 ASN HA . 18422 1 944 . 1 2 122 122 ASN HD21 H 1 6.71 0.01 . 2 . . . . 123 ASN HD21 . 18422 1 945 . 1 2 122 122 ASN HD22 H 1 6.89 0.01 . 2 . . . . 123 ASN HD22 . 18422 1 946 . 1 2 122 122 ASN C C 13 173.8 0.3 . 1 . . . . 123 ASN C . 18422 1 947 . 1 2 122 122 ASN CA C 13 54.0 0.3 . 1 . . . . 123 ASN CA . 18422 1 948 . 1 2 122 122 ASN CB C 13 37.0 0.3 . 1 . . . . 123 ASN CB . 18422 1 949 . 1 2 122 122 ASN N N 15 118.5 0.1 . 1 . . . . 123 ASN N . 18422 1 950 . 1 2 122 122 ASN ND2 N 15 109.9 0.1 . 1 . . . . 123 ASN ND2 . 18422 1 951 . 1 2 123 123 ARG H H 1 8.88 0.01 . 1 . . . . 124 ARG H . 18422 1 952 . 1 2 123 123 ARG HA H 1 4.15 0.01 . 1 . . . . 124 ARG HA . 18422 1 953 . 1 2 123 123 ARG C C 13 181.3 0.3 . 1 . . . . 124 ARG C . 18422 1 954 . 1 2 123 123 ARG CA C 13 57.0 0.3 . 1 . . . . 124 ARG CA . 18422 1 955 . 1 2 123 123 ARG CB C 13 32.3 0.3 . 1 . . . . 124 ARG CB . 18422 1 956 . 1 2 123 123 ARG N N 15 124.1 0.1 . 1 . . . . 124 ARG N . 18422 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shifts_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shifts_list_2 _Assigned_chem_shift_list.Entry_ID 18422 _Assigned_chem_shift_list.ID 2 _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 8 '2D DQF-COSY' . . . 18422 2 9 '2D 1H-1H NOESY' . . . 18422 2 10 '2D 1H-1H TOCSY' . . . 18422 2 11 '2D DQF-COSY' . . . 18422 2 12 '2D 1H-1H NOESY' . . . 18422 2 13 '2D 1H-1H TOCSY' . . . 18422 2 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 . 2 1 1 1 HEB HAB H 1 6.65 0.02 . 1 . . . . 1 HEB HAB . 18422 2 2 . 2 1 1 1 HEB HAC H 1 7.64 0.02 . 1 . . . . 1 HEB HAC . 18422 2 3 . 2 1 1 1 HEB HBB1 H 1 2.24 0.02 . 1 . . . . 1 HEB HBB# . 18422 2 4 . 2 1 1 1 HEB HBB2 H 1 2.24 0.02 . 1 . . . . 1 HEB HBB# . 18422 2 5 . 2 1 1 1 HEB HBB3 H 1 2.24 0.02 . 1 . . . . 1 HEB HBB# . 18422 2 6 . 2 1 1 1 HEB HBC1 H 1 6.06 0.02 . 1 . . . . 1 HEB HBC1 . 18422 2 7 . 2 1 1 1 HEB HBC2 H 1 5.58 0.02 . 1 . . . . 1 HEB HBC2 . 18422 2 8 . 2 1 1 1 HEB HHA H 1 9.57 0.02 . 1 . . . . 1 HEB HHA . 18422 2 9 . 2 1 1 1 HEB HHB H 1 9.37 0.02 . 1 . . . . 1 HEB HHB . 18422 2 10 . 2 1 1 1 HEB HHC H 1 9.11 0.02 . 1 . . . . 1 HEB HHC . 18422 2 11 . 2 1 1 1 HEB HHD H 1 9.06 0.02 . 1 . . . . 1 HEB HHD . 18422 2 12 . 2 1 1 1 HEB HMA1 H 1 3.18 0.02 . 1 . . . . 1 HEB HMA# . 18422 2 13 . 2 1 1 1 HEB HMA2 H 1 3.18 0.02 . 1 . . . . 1 HEB HMA# . 18422 2 14 . 2 1 1 1 HEB HMA3 H 1 3.18 0.02 . 1 . . . . 1 HEB HMA# . 18422 2 15 . 2 1 1 1 HEB HMB1 H 1 3.22 0.02 . 1 . . . . 1 HEB HMB# . 18422 2 16 . 2 1 1 1 HEB HMB2 H 1 3.22 0.02 . 1 . . . . 1 HEB HMB# . 18422 2 17 . 2 1 1 1 HEB HMB3 H 1 3.22 0.02 . 1 . . . . 1 HEB HMB# . 18422 2 18 . 2 1 1 1 HEB HMC1 H 1 3.40 0.02 . 1 . . . . 1 HEB HMC# . 18422 2 19 . 2 1 1 1 HEB HMC2 H 1 3.40 0.02 . 1 . . . . 1 HEB HMC# . 18422 2 20 . 2 1 1 1 HEB HMC3 H 1 3.40 0.02 . 1 . . . . 1 HEB HMC# . 18422 2 21 . 2 1 1 1 HEB HMD1 H 1 2.67 0.02 . 1 . . . . 1 HEB HMD# . 18422 2 22 . 2 1 1 1 HEB HMD2 H 1 2.67 0.02 . 1 . . . . 1 HEB HMD# . 18422 2 23 . 2 1 1 1 HEB HMD3 H 1 2.67 0.02 . 1 . . . . 1 HEB HMD# . 18422 2 stop_ save_