################################### # 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 5084 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5084 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 3 3 LEU N N 15 121.4 0.25 . 1 . . . . . . . . 5084 1 2 . 1 1 3 3 LEU H H 1 8.54 0.01 . 1 . . . . . . . . 5084 1 3 . 1 1 4 4 GLY N N 15 108.6 0.25 . 1 . . . . . . . . 5084 1 4 . 1 1 4 4 GLY H H 1 8.40 0.01 . 1 . . . . . . . . 5084 1 5 . 1 1 5 5 SER N N 15 116.8 0.25 . 1 . . . . . . . . 5084 1 6 . 1 1 5 5 SER H H 1 8.22 0.01 . 1 . . . . . . . . 5084 1 7 . 1 1 7 7 LEU N N 15 121.9 0.25 . 1 . . . . . . . . 5084 1 8 . 1 1 7 7 LEU H H 1 8.38 0.01 . 1 . . . . . . . . 5084 1 9 . 1 1 7 7 LEU HA H 1 4.59 0.01 . 1 . . . . . . . . 5084 1 10 . 1 1 7 7 LEU HB2 H 1 1.55 0.01 . 2 . . . . . . . . 5084 1 11 . 1 1 7 7 LEU HB3 H 1 1.37 0.01 . 2 . . . . . . . . 5084 1 12 . 1 1 7 7 LEU HD11 H 1 0.91 0.01 . 2 . . . . . . . . 5084 1 13 . 1 1 7 7 LEU HD12 H 1 0.91 0.01 . 2 . . . . . . . . 5084 1 14 . 1 1 7 7 LEU HD13 H 1 0.91 0.01 . 2 . . . . . . . . 5084 1 15 . 1 1 7 7 LEU HD21 H 1 0.82 0.01 . 2 . . . . . . . . 5084 1 16 . 1 1 7 7 LEU HD22 H 1 0.82 0.01 . 2 . . . . . . . . 5084 1 17 . 1 1 7 7 LEU HD23 H 1 0.82 0.01 . 2 . . . . . . . . 5084 1 18 . 1 1 8 8 THR N N 15 113.2 0.25 . 1 . . . . . . . . 5084 1 19 . 1 1 8 8 THR H H 1 7.39 0.01 . 1 . . . . . . . . 5084 1 20 . 1 1 8 8 THR HA H 1 4.67 0.01 . 1 . . . . . . . . 5084 1 21 . 1 1 8 8 THR HG21 H 1 1.21 0.01 . 1 . . . . . . . . 5084 1 22 . 1 1 8 8 THR HG22 H 1 1.21 0.01 . 1 . . . . . . . . 5084 1 23 . 1 1 8 8 THR HG23 H 1 1.21 0.01 . 1 . . . . . . . . 5084 1 24 . 1 1 9 9 ALA N N 15 122.9 0.25 . 1 . . . . . . . . 5084 1 25 . 1 1 9 9 ALA H H 1 9.05 0.01 . 1 . . . . . . . . 5084 1 26 . 1 1 9 9 ALA HA H 1 3.99 0.01 . 1 . . . . . . . . 5084 1 27 . 1 1 9 9 ALA HB1 H 1 1.45 0.01 . 1 . . . . . . . . 5084 1 28 . 1 1 9 9 ALA HB2 H 1 1.45 0.01 . 1 . . . . . . . . 5084 1 29 . 1 1 9 9 ALA HB3 H 1 1.45 0.01 . 1 . . . . . . . . 5084 1 30 . 1 1 10 10 SER N N 15 112.7 0.25 . 1 . . . . . . . . 5084 1 31 . 1 1 10 10 SER H H 1 8.38 0.01 . 1 . . . . . . . . 5084 1 32 . 1 1 10 10 SER HA H 1 3.87 0.01 . 1 . . . . . . . . 5084 1 33 . 1 1 10 10 SER HB2 H 1 4.21 0.01 . 2 . . . . . . . . 5084 1 34 . 1 1 11 11 MET N N 15 121.4 0.25 . 1 . . . . . . . . 5084 1 35 . 1 1 11 11 MET H H 1 7.64 0.01 . 1 . . . . . . . . 5084 1 36 . 1 1 11 11 MET HA H 1 4.12 0.01 . 1 . . . . . . . . 5084 1 37 . 1 1 11 11 MET HB2 H 1 2.20 0.01 . 2 . . . . . . . . 5084 1 38 . 1 1 11 11 MET HB3 H 1 2.14 0.01 . 2 . . . . . . . . 5084 1 39 . 1 1 11 11 MET HG2 H 1 2.60 0.01 . 2 . . . . . . . . 5084 1 40 . 1 1 11 11 MET HG3 H 1 2.54 0.01 . 2 . . . . . . . . 5084 1 41 . 1 1 12 12 LEU N N 15 118.3 0.25 . 1 . . . . . . . . 5084 1 42 . 1 1 12 12 LEU H H 1 7.75 0.01 . 1 . . . . . . . . 5084 1 43 . 1 1 12 12 LEU HB2 H 1 1.70 0.01 . 2 . . . . . . . . 5084 1 44 . 1 1 12 12 LEU HG H 1 1.53 0.01 . 1 . . . . . . . . 5084 1 45 . 1 1 12 12 LEU HD11 H 1 0.93 0.01 . 2 . . . . . . . . 5084 1 46 . 1 1 12 12 LEU HD12 H 1 0.93 0.01 . 2 . . . . . . . . 5084 1 47 . 1 1 12 12 LEU HD13 H 1 0.93 0.01 . 2 . . . . . . . . 5084 1 48 . 1 1 12 12 LEU HD21 H 1 0.82 0.01 . 2 . . . . . . . . 5084 1 49 . 1 1 12 12 LEU HD22 H 1 0.82 0.01 . 2 . . . . . . . . 5084 1 50 . 1 1 12 12 LEU HD23 H 1 0.82 0.01 . 2 . . . . . . . . 5084 1 51 . 1 1 13 13 ALA N N 15 116.3 0.25 . 1 . . . . . . . . 5084 1 52 . 1 1 13 13 ALA H H 1 7.78 0.01 . 1 . . . . . . . . 5084 1 53 . 1 1 13 13 ALA HA H 1 4.07 0.01 . 1 . . . . . . . . 5084 1 54 . 1 1 13 13 ALA HB1 H 1 1.48 0.01 . 1 . . . . . . . . 5084 1 55 . 1 1 13 13 ALA HB2 H 1 1.48 0.01 . 1 . . . . . . . . 5084 1 56 . 1 1 13 13 ALA HB3 H 1 1.48 0.01 . 1 . . . . . . . . 5084 1 57 . 1 1 14 14 SER N N 15 110.0 0.25 . 1 . . . . . . . . 5084 1 58 . 1 1 14 14 SER H H 1 7.42 0.01 . 1 . . . . . . . . 5084 1 59 . 1 1 14 14 SER HA H 1 4.41 0.01 . 1 . . . . . . . . 5084 1 60 . 1 1 14 14 SER HB2 H 1 3.95 0.01 . 2 . . . . . . . . 5084 1 61 . 1 1 15 15 ALA N N 15 126.0 0.25 . 1 . . . . . . . . 5084 1 62 . 1 1 15 15 ALA H H 1 7.63 0.01 . 1 . . . . . . . . 5084 1 63 . 1 1 15 15 ALA HA H 1 4.85 0.01 . 1 . . . . . . . . 5084 1 64 . 1 1 15 15 ALA HB1 H 1 1.41 0.01 . 1 . . . . . . . . 5084 1 65 . 1 1 15 15 ALA HB2 H 1 1.41 0.01 . 1 . . . . . . . . 5084 1 66 . 1 1 15 15 ALA HB3 H 1 1.41 0.01 . 1 . . . . . . . . 5084 1 67 . 1 1 18 18 GLN N N 15 115.8 0.25 . 1 . . . . . . . . 5084 1 68 . 1 1 18 18 GLN H H 1 9.19 0.01 . 1 . . . . . . . . 5084 1 69 . 1 1 18 18 GLN HA H 1 4.20 0.01 . 1 . . . . . . . . 5084 1 70 . 1 1 18 18 GLN HB2 H 1 2.13 0.01 . 2 . . . . . . . . 5084 1 71 . 1 1 18 18 GLN HB3 H 1 2.03 0.01 . 2 . . . . . . . . 5084 1 72 . 1 1 18 18 GLN HG2 H 1 2.53 0.01 . 2 . . . . . . . . 5084 1 73 . 1 1 18 18 GLN HG3 H 1 2.43 0.01 . 2 . . . . . . . . 5084 1 74 . 1 1 19 19 GLU N N 15 119.9 0.25 . 1 . . . . . . . . 5084 1 75 . 1 1 19 19 GLU H H 1 7.61 0.01 . 1 . . . . . . . . 5084 1 76 . 1 1 19 19 GLU HA H 1 4.27 0.01 . 1 . . . . . . . . 5084 1 77 . 1 1 19 19 GLU HB2 H 1 2.19 0.01 . 2 . . . . . . . . 5084 1 78 . 1 1 19 19 GLU HB3 H 1 2.05 0.01 . 2 . . . . . . . . 5084 1 79 . 1 1 19 19 GLU HG2 H 1 2.33 0.01 . 2 . . . . . . . . 5084 1 80 . 1 1 20 20 GLN N N 15 118.3 0.25 . 1 . . . . . . . . 5084 1 81 . 1 1 20 20 GLN H H 1 8.05 0.01 . 1 . . . . . . . . 5084 1 82 . 1 1 20 20 GLN HA H 1 3.94 0.01 . 1 . . . . . . . . 5084 1 83 . 1 1 20 20 GLN HB2 H 1 2.50 0.01 . 2 . . . . . . . . 5084 1 84 . 1 1 20 20 GLN HB3 H 1 2.32 0.01 . 2 . . . . . . . . 5084 1 85 . 1 1 20 20 GLN HG2 H 1 2.61 0.01 . 2 . . . . . . . . 5084 1 86 . 1 1 20 20 GLN HG3 H 1 2.50 0.01 . 2 . . . . . . . . 5084 1 87 . 1 1 20 20 GLN HE21 H 1 6.70 0.01 . 2 . . . . . . . . 5084 1 88 . 1 1 20 20 GLN HE22 H 1 7.57 0.01 . 2 . . . . . . . . 5084 1 89 . 1 1 21 21 LYS N N 15 113.2 0.25 . 1 . . . . . . . . 5084 1 90 . 1 1 21 21 LYS H H 1 7.57 0.01 . 1 . . . . . . . . 5084 1 91 . 1 1 21 21 LYS HA H 1 4.06 0.01 . 1 . . . . . . . . 5084 1 92 . 1 1 21 21 LYS HB2 H 1 2.23 0.01 . 2 . . . . . . . . 5084 1 93 . 1 1 21 21 LYS HB3 H 1 1.68 0.01 . 2 . . . . . . . . 5084 1 94 . 1 1 21 21 LYS HG2 H 1 1.85 0.01 . 2 . . . . . . . . 5084 1 95 . 1 1 22 22 GLN N N 15 118.3 0.25 . 1 . . . . . . . . 5084 1 96 . 1 1 22 22 GLN H H 1 7.64 0.01 . 1 . . . . . . . . 5084 1 97 . 1 1 22 22 GLN HA H 1 3.96 0.01 . 1 . . . . . . . . 5084 1 98 . 1 1 22 22 GLN HB2 H 1 2.33 0.01 . 2 . . . . . . . . 5084 1 99 . 1 1 22 22 GLN HG2 H 1 2.56 0.01 . 2 . . . . . . . . 5084 1 100 . 1 1 23 23 MET N N 15 116.8 0.25 . 1 . . . . . . . . 5084 1 101 . 1 1 23 23 MET H H 1 8.39 0.01 . 1 . . . . . . . . 5084 1 102 . 1 1 23 23 MET HA H 1 4.06 0.01 . 1 . . . . . . . . 5084 1 103 . 1 1 23 23 MET HB2 H 1 2.22 0.01 . 2 . . . . . . . . 5084 1 104 . 1 1 23 23 MET HB3 H 1 2.02 0.01 . 2 . . . . . . . . 5084 1 105 . 1 1 23 23 MET HG2 H 1 2.79 0.01 . 2 . . . . . . . . 5084 1 106 . 1 1 23 23 MET HG3 H 1 2.60 0.01 . 2 . . . . . . . . 5084 1 107 . 1 1 24 24 LEU N N 15 118.3 0.25 . 1 . . . . . . . . 5084 1 108 . 1 1 24 24 LEU H H 1 7.75 0.01 . 1 . . . . . . . . 5084 1 109 . 1 1 24 24 LEU HA H 1 3.79 0.01 . 1 . . . . . . . . 5084 1 110 . 1 1 24 24 LEU HB2 H 1 1.96 0.01 . 2 . . . . . . . . 5084 1 111 . 1 1 24 24 LEU HB3 H 1 1.10 0.01 . 2 . . . . . . . . 5084 1 112 . 1 1 24 24 LEU HD11 H 1 0.77 0.01 . 2 . . . . . . . . 5084 1 113 . 1 1 24 24 LEU HD12 H 1 0.77 0.01 . 2 . . . . . . . . 5084 1 114 . 1 1 24 24 LEU HD13 H 1 0.77 0.01 . 2 . . . . . . . . 5084 1 115 . 1 1 24 24 LEU HD21 H 1 0.72 0.01 . 2 . . . . . . . . 5084 1 116 . 1 1 24 24 LEU HD22 H 1 0.72 0.01 . 2 . . . . . . . . 5084 1 117 . 1 1 24 24 LEU HD23 H 1 0.72 0.01 . 2 . . . . . . . . 5084 1 118 . 1 1 25 25 GLY N N 15 108.6 0.25 . 1 . . . . . . . . 5084 1 119 . 1 1 25 25 GLY H H 1 9.03 0.01 . 1 . . . . . . . . 5084 1 120 . 1 1 25 25 GLY HA2 H 1 2.96 0.01 . 2 . . . . . . . . 5084 1 121 . 1 1 25 25 GLY HA3 H 1 2.60 0.01 . 2 . . . . . . . . 5084 1 122 . 1 1 26 26 GLU N N 15 118.3 0.25 . 1 . . . . . . . . 5084 1 123 . 1 1 26 26 GLU H H 1 8.52 0.01 . 1 . . . . . . . . 5084 1 124 . 1 1 26 26 GLU HB2 H 1 2.19 0.01 . 2 . . . . . . . . 5084 1 125 . 1 1 26 26 GLU HB3 H 1 1.91 0.01 . 2 . . . . . . . . 5084 1 126 . 1 1 27 27 ARG N N 15 114.7 0.25 . 1 . . . . . . . . 5084 1 127 . 1 1 27 27 ARG H H 1 7.18 0.01 . 1 . . . . . . . . 5084 1 128 . 1 1 27 27 ARG HA H 1 4.18 0.01 . 1 . . . . . . . . 5084 1 129 . 1 1 27 27 ARG HB2 H 1 2.05 0.01 . 2 . . . . . . . . 5084 1 130 . 1 1 27 27 ARG HB3 H 1 1.88 0.01 . 2 . . . . . . . . 5084 1 131 . 1 1 27 27 ARG HD2 H 1 3.23 0.01 . 2 . . . . . . . . 5084 1 132 . 1 1 27 27 ARG HD3 H 1 3.19 0.01 . 2 . . . . . . . . 5084 1 133 . 1 1 27 27 ARG HE H 1 7.48 0.01 . 1 . . . . . . . . 5084 1 134 . 1 1 28 28 LEU N N 15 118.3 0.25 . 1 . . . . . . . . 5084 1 135 . 1 1 28 28 LEU H H 1 8.44 0.01 . 1 . . . . . . . . 5084 1 136 . 1 1 28 28 LEU HA H 1 3.85 0.01 . 1 . . . . . . . . 5084 1 137 . 1 1 28 28 LEU HB2 H 1 1.68 0.01 . 2 . . . . . . . . 5084 1 138 . 1 1 28 28 LEU HD11 H 1 0.82 0.01 . 2 . . . . . . . . 5084 1 139 . 1 1 28 28 LEU HD12 H 1 0.82 0.01 . 2 . . . . . . . . 5084 1 140 . 1 1 28 28 LEU HD13 H 1 0.82 0.01 . 2 . . . . . . . . 5084 1 141 . 1 1 29 29 PHE N N 15 116.8 0.25 . 1 . . . . . . . . 5084 1 142 . 1 1 29 29 PHE H H 1 8.45 0.01 . 1 . . . . . . . . 5084 1 143 . 1 1 29 29 PHE HA H 1 4.33 0.01 . 1 . . . . . . . . 5084 1 144 . 1 1 29 29 PHE HB2 H 1 3.30 0.01 . 2 . . . . . . . . 5084 1 145 . 1 1 29 29 PHE HB3 H 1 3.18 0.01 . 2 . . . . . . . . 5084 1 146 . 1 1 29 29 PHE HD1 H 1 7.12 0.01 . 3 . . . . . . . . 5084 1 147 . 1 1 29 29 PHE HE1 H 1 7.26 0.01 . 3 . . . . . . . . 5084 1 148 . 1 1 30 30 PRO HA H 1 4.21 0.01 . 1 . . . . . . . . 5084 1 149 . 1 1 31 31 LEU N N 15 115.8 0.25 . 1 . . . . . . . . 5084 1 150 . 1 1 31 31 LEU H H 1 6.81 0.01 . 1 . . . . . . . . 5084 1 151 . 1 1 31 31 LEU HA H 1 4.08 0.01 . 1 . . . . . . . . 5084 1 152 . 1 1 31 31 LEU HB2 H 1 2.04 0.01 . 2 . . . . . . . . 5084 1 153 . 1 1 31 31 LEU HB3 H 1 1.21 0.01 . 2 . . . . . . . . 5084 1 154 . 1 1 31 31 LEU HG H 1 1.77 0.01 . 1 . . . . . . . . 5084 1 155 . 1 1 31 31 LEU HD11 H 1 0.97 0.01 . 2 . . . . . . . . 5084 1 156 . 1 1 31 31 LEU HD12 H 1 0.97 0.01 . 2 . . . . . . . . 5084 1 157 . 1 1 31 31 LEU HD13 H 1 0.97 0.01 . 2 . . . . . . . . 5084 1 158 . 1 1 31 31 LEU HD21 H 1 0.88 0.01 . 2 . . . . . . . . 5084 1 159 . 1 1 31 31 LEU HD22 H 1 0.88 0.01 . 2 . . . . . . . . 5084 1 160 . 1 1 31 31 LEU HD23 H 1 0.88 0.01 . 2 . . . . . . . . 5084 1 161 . 1 1 32 32 ILE N N 15 119.4 0.25 . 1 . . . . . . . . 5084 1 162 . 1 1 32 32 ILE H H 1 7.89 0.01 . 1 . . . . . . . . 5084 1 163 . 1 1 32 32 ILE HA H 1 3.65 0.01 . 1 . . . . . . . . 5084 1 164 . 1 1 32 32 ILE HB H 1 1.70 0.01 . 1 . . . . . . . . 5084 1 165 . 1 1 32 32 ILE HG21 H 1 0.89 0.01 . 1 . . . . . . . . 5084 1 166 . 1 1 32 32 ILE HG22 H 1 0.89 0.01 . 1 . . . . . . . . 5084 1 167 . 1 1 32 32 ILE HG23 H 1 0.89 0.01 . 1 . . . . . . . . 5084 1 168 . 1 1 32 32 ILE HD11 H 1 0.82 0.01 . 1 . . . . . . . . 5084 1 169 . 1 1 32 32 ILE HD12 H 1 0.82 0.01 . 1 . . . . . . . . 5084 1 170 . 1 1 32 32 ILE HD13 H 1 0.82 0.01 . 1 . . . . . . . . 5084 1 171 . 1 1 33 33 GLN N N 15 122.4 0.25 . 1 . . . . . . . . 5084 1 172 . 1 1 33 33 GLN H H 1 8.94 0.01 . 1 . . . . . . . . 5084 1 173 . 1 1 33 33 GLN HA H 1 3.49 0.01 . 1 . . . . . . . . 5084 1 174 . 1 1 33 33 GLN HB2 H 1 1.75 0.01 . 2 . . . . . . . . 5084 1 175 . 1 1 33 33 GLN HG2 H 1 2.10 0.01 . 2 . . . . . . . . 5084 1 176 . 1 1 34 34 ALA N N 15 115.2 0.25 . 1 . . . . . . . . 5084 1 177 . 1 1 34 34 ALA H H 1 6.81 0.01 . 1 . . . . . . . . 5084 1 178 . 1 1 34 34 ALA HA H 1 4.08 0.01 . 1 . . . . . . . . 5084 1 179 . 1 1 34 34 ALA HB1 H 1 1.43 0.01 . 1 . . . . . . . . 5084 1 180 . 1 1 34 34 ALA HB2 H 1 1.43 0.01 . 1 . . . . . . . . 5084 1 181 . 1 1 34 34 ALA HB3 H 1 1.43 0.01 . 1 . . . . . . . . 5084 1 182 . 1 1 35 35 MET N N 15 114.2 0.25 . 1 . . . . . . . . 5084 1 183 . 1 1 35 35 MET H H 1 7.20 0.01 . 1 . . . . . . . . 5084 1 184 . 1 1 35 35 MET HA H 1 4.18 0.01 . 1 . . . . . . . . 5084 1 185 . 1 1 35 35 MET HB2 H 1 2.10 0.01 . 2 . . . . . . . . 5084 1 186 . 1 1 35 35 MET HB3 H 1 1.86 0.01 . 2 . . . . . . . . 5084 1 187 . 1 1 35 35 MET HG2 H 1 2.76 0.01 . 2 . . . . . . . . 5084 1 188 . 1 1 35 35 MET HG3 H 1 2.50 0.01 . 2 . . . . . . . . 5084 1 189 . 1 1 36 36 HIS N N 15 114.7 0.25 . 1 . . . . . . . . 5084 1 190 . 1 1 36 36 HIS H H 1 8.12 0.01 . 1 . . . . . . . . 5084 1 191 . 1 1 36 36 HIS HA H 1 4.87 0.01 . 1 . . . . . . . . 5084 1 192 . 1 1 36 36 HIS HB2 H 1 2.95 0.01 . 2 . . . . . . . . 5084 1 193 . 1 1 36 36 HIS HB3 H 1 2.50 0.01 . 2 . . . . . . . . 5084 1 194 . 1 1 36 36 HIS HD2 H 1 6.63 0.01 . 1 . . . . . . . . 5084 1 195 . 1 1 36 36 HIS HE1 H 1 7.96 0.01 . 1 . . . . . . . . 5084 1 196 . 1 1 38 38 THR N N 15 108.0 0.25 . 1 . . . . . . . . 5084 1 197 . 1 1 38 38 THR H H 1 8.27 0.01 . 1 . . . . . . . . 5084 1 198 . 1 1 38 38 THR HA H 1 4.43 0.01 . 1 . . . . . . . . 5084 1 199 . 1 1 38 38 THR HG21 H 1 1.32 0.01 . 1 . . . . . . . . 5084 1 200 . 1 1 38 38 THR HG22 H 1 1.32 0.01 . 1 . . . . . . . . 5084 1 201 . 1 1 38 38 THR HG23 H 1 1.32 0.01 . 1 . . . . . . . . 5084 1 202 . 1 1 39 39 LEU H H 1 7.57 0.01 . 1 . . . . . . . . 5084 1 203 . 1 1 39 39 LEU HA H 1 4.79 0.01 . 1 . . . . . . . . 5084 1 204 . 1 1 39 39 LEU HB2 H 1 1.64 0.01 . 2 . . . . . . . . 5084 1 205 . 1 1 39 39 LEU HB3 H 1 1.41 0.01 . 2 . . . . . . . . 5084 1 206 . 1 1 39 39 LEU HD11 H 1 0.90 0.01 . 2 . . . . . . . . 5084 1 207 . 1 1 39 39 LEU HD12 H 1 0.90 0.01 . 2 . . . . . . . . 5084 1 208 . 1 1 39 39 LEU HD13 H 1 0.90 0.01 . 2 . . . . . . . . 5084 1 209 . 1 1 40 40 ALA N N 15 121.4 0.25 . 1 . . . . . . . . 5084 1 210 . 1 1 40 40 ALA H H 1 7.42 0.01 . 1 . . . . . . . . 5084 1 211 . 1 1 40 40 ALA HA H 1 3.81 0.01 . 1 . . . . . . . . 5084 1 212 . 1 1 40 40 ALA HB1 H 1 1.20 0.01 . 1 . . . . . . . . 5084 1 213 . 1 1 40 40 ALA HB2 H 1 1.20 0.01 . 1 . . . . . . . . 5084 1 214 . 1 1 40 40 ALA HB3 H 1 1.20 0.01 . 1 . . . . . . . . 5084 1 215 . 1 1 41 41 GLY N N 15 109.1 0.25 . 1 . . . . . . . . 5084 1 216 . 1 1 41 41 GLY H H 1 9.30 0.01 . 1 . . . . . . . . 5084 1 217 . 1 1 41 41 GLY HA2 H 1 4.39 0.01 . 2 . . . . . . . . 5084 1 218 . 1 1 42 42 LYS N N 15 125.5 0.25 . 1 . . . . . . . . 5084 1 219 . 1 1 42 42 LYS H H 1 8.52 0.01 . 1 . . . . . . . . 5084 1 220 . 1 1 42 42 LYS HA H 1 4.07 0.01 . 1 . . . . . . . . 5084 1 221 . 1 1 42 42 LYS HB2 H 1 2.04 0.01 . 2 . . . . . . . . 5084 1 222 . 1 1 42 42 LYS HB3 H 1 1.83 0.01 . 2 . . . . . . . . 5084 1 223 . 1 1 42 42 LYS HG2 H 1 1.74 0.01 . 2 . . . . . . . . 5084 1 224 . 1 1 42 42 LYS HG3 H 1 1.49 0.01 . 2 . . . . . . . . 5084 1 225 . 1 1 43 43 ILE N N 15 117.3 0.25 . 1 . . . . . . . . 5084 1 226 . 1 1 43 43 ILE H H 1 8.67 0.01 . 1 . . . . . . . . 5084 1 227 . 1 1 43 43 ILE HA H 1 3.67 0.01 . 1 . . . . . . . . 5084 1 228 . 1 1 43 43 ILE HB H 1 1.67 0.01 . 1 . . . . . . . . 5084 1 229 . 1 1 43 43 ILE HG21 H 1 0.89 0.01 . 1 . . . . . . . . 5084 1 230 . 1 1 43 43 ILE HG22 H 1 0.89 0.01 . 1 . . . . . . . . 5084 1 231 . 1 1 43 43 ILE HG23 H 1 0.89 0.01 . 1 . . . . . . . . 5084 1 232 . 1 1 43 43 ILE HD11 H 1 0.57 0.01 . 1 . . . . . . . . 5084 1 233 . 1 1 43 43 ILE HD12 H 1 0.57 0.01 . 1 . . . . . . . . 5084 1 234 . 1 1 43 43 ILE HD13 H 1 0.57 0.01 . 1 . . . . . . . . 5084 1 235 . 1 1 44 44 THR N N 15 114.7 0.25 . 1 . . . . . . . . 5084 1 236 . 1 1 44 44 THR H H 1 8.44 0.01 . 1 . . . . . . . . 5084 1 237 . 1 1 44 44 THR HA H 1 4.64 0.01 . 1 . . . . . . . . 5084 1 238 . 1 1 44 44 THR HB H 1 3.58 0.01 . 1 . . . . . . . . 5084 1 239 . 1 1 44 44 THR HG21 H 1 0.81 0.01 . 1 . . . . . . . . 5084 1 240 . 1 1 44 44 THR HG22 H 1 0.81 0.01 . 1 . . . . . . . . 5084 1 241 . 1 1 44 44 THR HG23 H 1 0.81 0.01 . 1 . . . . . . . . 5084 1 242 . 1 1 45 45 GLY N N 15 106.0 0.25 . 1 . . . . . . . . 5084 1 243 . 1 1 45 45 GLY H H 1 7.86 0.01 . 1 . . . . . . . . 5084 1 244 . 1 1 45 45 GLY HA2 H 1 4.53 0.01 . 2 . . . . . . . . 5084 1 245 . 1 1 45 45 GLY HA3 H 1 3.69 0.01 . 2 . . . . . . . . 5084 1 246 . 1 1 46 46 MET H H 1 8.17 0.01 . 1 . . . . . . . . 5084 1 247 . 1 1 46 46 MET HA H 1 3.97 0.01 . 1 . . . . . . . . 5084 1 248 . 1 1 46 46 MET HB2 H 1 2.27 0.01 . 2 . . . . . . . . 5084 1 249 . 1 1 46 46 MET HB3 H 1 2.00 0.01 . 2 . . . . . . . . 5084 1 250 . 1 1 46 46 MET HG2 H 1 2.71 0.01 . 2 . . . . . . . . 5084 1 251 . 1 1 46 46 MET HG3 H 1 2.52 0.01 . 2 . . . . . . . . 5084 1 252 . 1 1 47 47 LEU N N 15 118.8 0.25 . 1 . . . . . . . . 5084 1 253 . 1 1 47 47 LEU H H 1 8.32 0.01 . 1 . . . . . . . . 5084 1 254 . 1 1 47 47 LEU HA H 1 3.93 0.01 . 1 . . . . . . . . 5084 1 255 . 1 1 47 47 LEU HB2 H 1 1.76 0.01 . 2 . . . . . . . . 5084 1 256 . 1 1 47 47 LEU HB3 H 1 1.53 0.01 . 2 . . . . . . . . 5084 1 257 . 1 1 47 47 LEU HG H 1 1.90 0.01 . 1 . . . . . . . . 5084 1 258 . 1 1 47 47 LEU HD11 H 1 0.82 0.01 . 2 . . . . . . . . 5084 1 259 . 1 1 47 47 LEU HD12 H 1 0.82 0.01 . 2 . . . . . . . . 5084 1 260 . 1 1 47 47 LEU HD13 H 1 0.82 0.01 . 2 . . . . . . . . 5084 1 261 . 1 1 47 47 LEU HD21 H 1 0.76 0.01 . 2 . . . . . . . . 5084 1 262 . 1 1 47 47 LEU HD22 H 1 0.76 0.01 . 2 . . . . . . . . 5084 1 263 . 1 1 47 47 LEU HD23 H 1 0.76 0.01 . 2 . . . . . . . . 5084 1 264 . 1 1 48 48 LEU N N 15 114.8 0.25 . 1 . . . . . . . . 5084 1 265 . 1 1 48 48 LEU H H 1 7.94 0.01 . 1 . . . . . . . . 5084 1 266 . 1 1 48 48 LEU HA H 1 4.12 0.01 . 1 . . . . . . . . 5084 1 267 . 1 1 48 48 LEU HB2 H 1 1.85 0.01 . 2 . . . . . . . . 5084 1 268 . 1 1 48 48 LEU HD11 H 1 0.60 0.01 . 2 . . . . . . . . 5084 1 269 . 1 1 48 48 LEU HD12 H 1 0.60 0.01 . 2 . . . . . . . . 5084 1 270 . 1 1 48 48 LEU HD13 H 1 0.60 0.01 . 2 . . . . . . . . 5084 1 271 . 1 1 48 48 LEU HD21 H 1 0.46 0.01 . 2 . . . . . . . . 5084 1 272 . 1 1 48 48 LEU HD22 H 1 0.46 0.01 . 2 . . . . . . . . 5084 1 273 . 1 1 48 48 LEU HD23 H 1 0.46 0.01 . 2 . . . . . . . . 5084 1 274 . 1 1 49 49 GLU N N 15 114.7 0.25 . 1 . . . . . . . . 5084 1 275 . 1 1 49 49 GLU H H 1 7.19 0.01 . 1 . . . . . . . . 5084 1 276 . 1 1 49 49 GLU HA H 1 4.23 0.01 . 1 . . . . . . . . 5084 1 277 . 1 1 49 49 GLU HB2 H 1 2.23 0.01 . 2 . . . . . . . . 5084 1 278 . 1 1 49 49 GLU HB3 H 1 2.04 0.01 . 2 . . . . . . . . 5084 1 279 . 1 1 49 49 GLU HG2 H 1 2.63 0.01 . 2 . . . . . . . . 5084 1 280 . 1 1 50 50 ILE N N 15 119.4 0.25 . 1 . . . . . . . . 5084 1 281 . 1 1 50 50 ILE H H 1 7.81 0.01 . 1 . . . . . . . . 5084 1 282 . 1 1 50 50 ILE HA H 1 3.97 0.01 . 1 . . . . . . . . 5084 1 283 . 1 1 50 50 ILE HB H 1 2.14 0.01 . 1 . . . . . . . . 5084 1 284 . 1 1 50 50 ILE HG21 H 1 1.00 0.01 . 1 . . . . . . . . 5084 1 285 . 1 1 50 50 ILE HG22 H 1 1.00 0.01 . 1 . . . . . . . . 5084 1 286 . 1 1 50 50 ILE HG23 H 1 1.00 0.01 . 1 . . . . . . . . 5084 1 287 . 1 1 50 50 ILE HG12 H 1 1.63 0.01 . 2 . . . . . . . . 5084 1 288 . 1 1 50 50 ILE HG13 H 1 1.51 0.01 . 2 . . . . . . . . 5084 1 289 . 1 1 50 50 ILE HD11 H 1 0.83 0.01 . 1 . . . . . . . . 5084 1 290 . 1 1 50 50 ILE HD12 H 1 0.83 0.01 . 1 . . . . . . . . 5084 1 291 . 1 1 50 50 ILE HD13 H 1 0.83 0.01 . 1 . . . . . . . . 5084 1 292 . 1 1 51 51 ASP N N 15 117.8 0.25 . 1 . . . . . . . . 5084 1 293 . 1 1 51 51 ASP H H 1 7.80 0.01 . 1 . . . . . . . . 5084 1 294 . 1 1 51 51 ASP HA H 1 4.27 0.01 . 1 . . . . . . . . 5084 1 295 . 1 1 51 51 ASP HB2 H 1 2.75 0.01 . 2 . . . . . . . . 5084 1 296 . 1 1 51 51 ASP HB3 H 1 2.65 0.01 . 2 . . . . . . . . 5084 1 297 . 1 1 52 52 ASN N N 15 122.4 0.25 . 1 . . . . . . . . 5084 1 298 . 1 1 52 52 ASN H H 1 8.69 0.01 . 1 . . . . . . . . 5084 1 299 . 1 1 52 52 ASN HA H 1 4.29 0.01 . 1 . . . . . . . . 5084 1 300 . 1 1 52 52 ASN HB2 H 1 2.90 0.01 . 2 . . . . . . . . 5084 1 301 . 1 1 52 52 ASN HB3 H 1 2.55 0.01 . 2 . . . . . . . . 5084 1 302 . 1 1 52 52 ASN HD21 H 1 7.32 0.01 . 2 . . . . . . . . 5084 1 303 . 1 1 52 52 ASN HD22 H 1 6.51 0.01 . 2 . . . . . . . . 5084 1 304 . 1 1 53 53 SER N N 15 114.2 0.25 . 1 . . . . . . . . 5084 1 305 . 1 1 53 53 SER H H 1 8.63 0.01 . 1 . . . . . . . . 5084 1 306 . 1 1 53 53 SER HA H 1 4.12 0.01 . 1 . . . . . . . . 5084 1 307 . 1 1 53 53 SER HB2 H 1 3.93 0.01 . 2 . . . . . . . . 5084 1 308 . 1 1 54 54 GLU N N 15 123.5 0.25 . 1 . . . . . . . . 5084 1 309 . 1 1 54 54 GLU H H 1 7.41 0.01 . 1 . . . . . . . . 5084 1 310 . 1 1 54 54 GLU HA H 1 4.29 0.01 . 1 . . . . . . . . 5084 1 311 . 1 1 54 54 GLU HB2 H 1 2.18 0.01 . 2 . . . . . . . . 5084 1 312 . 1 1 54 54 GLU HB3 H 1 2.10 0.01 . 2 . . . . . . . . 5084 1 313 . 1 1 54 54 GLU HG2 H 1 2.35 0.01 . 2 . . . . . . . . 5084 1 314 . 1 1 54 54 GLU HG3 H 1 2.30 0.01 . 2 . . . . . . . . 5084 1 315 . 1 1 55 55 LEU N N 15 120.3 0.25 . 1 . . . . . . . . 5084 1 316 . 1 1 55 55 LEU H H 1 7.81 0.01 . 1 . . . . . . . . 5084 1 317 . 1 1 55 55 LEU HA H 1 4.16 0.01 . 1 . . . . . . . . 5084 1 318 . 1 1 55 55 LEU HB2 H 1 2.14 0.01 . 2 . . . . . . . . 5084 1 319 . 1 1 55 55 LEU HB3 H 1 1.11 0.01 . 2 . . . . . . . . 5084 1 320 . 1 1 55 55 LEU HG H 1 1.69 0.01 . 1 . . . . . . . . 5084 1 321 . 1 1 55 55 LEU HD11 H 1 0.90 0.01 . 2 . . . . . . . . 5084 1 322 . 1 1 55 55 LEU HD12 H 1 0.90 0.01 . 2 . . . . . . . . 5084 1 323 . 1 1 55 55 LEU HD13 H 1 0.90 0.01 . 2 . . . . . . . . 5084 1 324 . 1 1 55 55 LEU HD21 H 1 0.74 0.01 . 2 . . . . . . . . 5084 1 325 . 1 1 55 55 LEU HD22 H 1 0.74 0.01 . 2 . . . . . . . . 5084 1 326 . 1 1 55 55 LEU HD23 H 1 0.74 0.01 . 2 . . . . . . . . 5084 1 327 . 1 1 56 56 LEU N N 15 117.3 0.25 . 1 . . . . . . . . 5084 1 328 . 1 1 56 56 LEU H H 1 8.39 0.01 . 1 . . . . . . . . 5084 1 329 . 1 1 56 56 LEU HA H 1 3.93 0.01 . 1 . . . . . . . . 5084 1 330 . 1 1 56 56 LEU HB2 H 1 1.75 0.01 . 2 . . . . . . . . 5084 1 331 . 1 1 56 56 LEU HD11 H 1 0.77 0.01 . 2 . . . . . . . . 5084 1 332 . 1 1 56 56 LEU HD12 H 1 0.77 0.01 . 2 . . . . . . . . 5084 1 333 . 1 1 56 56 LEU HD13 H 1 0.77 0.01 . 2 . . . . . . . . 5084 1 334 . 1 1 57 57 HIS N N 15 115.8 0.25 . 1 . . . . . . . . 5084 1 335 . 1 1 57 57 HIS H H 1 7.45 0.01 . 1 . . . . . . . . 5084 1 336 . 1 1 57 57 HIS HA H 1 4.54 0.01 . 1 . . . . . . . . 5084 1 337 . 1 1 57 57 HIS HB2 H 1 3.51 0.01 . 2 . . . . . . . . 5084 1 338 . 1 1 57 57 HIS HB3 H 1 3.34 0.01 . 2 . . . . . . . . 5084 1 339 . 1 1 57 57 HIS HD2 H 1 7.35 0.01 . 1 . . . . . . . . 5084 1 340 . 1 1 58 58 MET N N 15 118.4 0.25 . 1 . . . . . . . . 5084 1 341 . 1 1 58 58 MET H H 1 8.28 0.01 . 1 . . . . . . . . 5084 1 342 . 1 1 58 58 MET HA H 1 3.85 0.01 . 1 . . . . . . . . 5084 1 343 . 1 1 58 58 MET HB2 H 1 2.40 0.01 . 2 . . . . . . . . 5084 1 344 . 1 1 58 58 MET HG2 H 1 2.74 0.01 . 2 . . . . . . . . 5084 1 345 . 1 1 59 59 LEU N N 15 115.2 0.25 . 1 . . . . . . . . 5084 1 346 . 1 1 59 59 LEU H H 1 7.57 0.01 . 1 . . . . . . . . 5084 1 347 . 1 1 59 59 LEU HA H 1 3.94 0.01 . 1 . . . . . . . . 5084 1 348 . 1 1 59 59 LEU HB2 H 1 1.99 0.01 . 2 . . . . . . . . 5084 1 349 . 1 1 59 59 LEU HB3 H 1 1.54 0.01 . 2 . . . . . . . . 5084 1 350 . 1 1 59 59 LEU HD11 H 1 0.92 0.01 . 2 . . . . . . . . 5084 1 351 . 1 1 59 59 LEU HD12 H 1 0.92 0.01 . 2 . . . . . . . . 5084 1 352 . 1 1 59 59 LEU HD13 H 1 0.92 0.01 . 2 . . . . . . . . 5084 1 353 . 1 1 59 59 LEU HD21 H 1 0.77 0.01 . 2 . . . . . . . . 5084 1 354 . 1 1 59 59 LEU HD22 H 1 0.77 0.01 . 2 . . . . . . . . 5084 1 355 . 1 1 59 59 LEU HD23 H 1 0.77 0.01 . 2 . . . . . . . . 5084 1 356 . 1 1 60 60 GLU N N 15 115.7 0.25 . 1 . . . . . . . . 5084 1 357 . 1 1 60 60 GLU H H 1 7.28 0.01 . 1 . . . . . . . . 5084 1 358 . 1 1 60 60 GLU HA H 1 4.43 0.01 . 1 . . . . . . . . 5084 1 359 . 1 1 60 60 GLU HB2 H 1 2.12 0.01 . 2 . . . . . . . . 5084 1 360 . 1 1 60 60 GLU HG2 H 1 2.37 0.01 . 2 . . . . . . . . 5084 1 361 . 1 1 61 61 SER N N 15 113.2 0.25 . 1 . . . . . . . . 5084 1 362 . 1 1 61 61 SER H H 1 7.35 0.01 . 1 . . . . . . . . 5084 1 363 . 1 1 61 61 SER HA H 1 5.05 0.01 . 1 . . . . . . . . 5084 1 364 . 1 1 61 61 SER HB2 H 1 3.57 0.01 . 2 . . . . . . . . 5084 1 365 . 1 1 61 61 SER HB3 H 1 3.45 0.01 . 2 . . . . . . . . 5084 1 366 . 1 1 63 63 GLU N N 15 116.8 0.25 . 1 . . . . . . . . 5084 1 367 . 1 1 63 63 GLU H H 1 9.01 0.01 . 1 . . . . . . . . 5084 1 368 . 1 1 63 63 GLU HA H 1 4.11 0.01 . 1 . . . . . . . . 5084 1 369 . 1 1 63 63 GLU HB2 H 1 2.02 0.01 . 2 . . . . . . . . 5084 1 370 . 1 1 63 63 GLU HB3 H 1 1.96 0.01 . 2 . . . . . . . . 5084 1 371 . 1 1 63 63 GLU HG2 H 1 2.43 0.01 . 2 . . . . . . . . 5084 1 372 . 1 1 63 63 GLU HG3 H 1 2.35 0.01 . 2 . . . . . . . . 5084 1 373 . 1 1 64 64 SER N N 15 116.8 0.25 . 1 . . . . . . . . 5084 1 374 . 1 1 64 64 SER H H 1 7.82 0.01 . 1 . . . . . . . . 5084 1 375 . 1 1 64 64 SER HA H 1 4.37 0.01 . 1 . . . . . . . . 5084 1 376 . 1 1 64 64 SER HB2 H 1 3.96 0.01 . 2 . . . . . . . . 5084 1 377 . 1 1 65 65 LEU N N 15 122.4 0.25 . 1 . . . . . . . . 5084 1 378 . 1 1 65 65 LEU H H 1 7.92 0.01 . 1 . . . . . . . . 5084 1 379 . 1 1 65 65 LEU HA H 1 4.15 0.01 . 1 . . . . . . . . 5084 1 380 . 1 1 65 65 LEU HB2 H 1 1.94 0.01 . 2 . . . . . . . . 5084 1 381 . 1 1 65 65 LEU HB3 H 1 1.78 0.01 . 2 . . . . . . . . 5084 1 382 . 1 1 65 65 LEU HD11 H 1 0.76 0.01 . 2 . . . . . . . . 5084 1 383 . 1 1 65 65 LEU HD12 H 1 0.76 0.01 . 2 . . . . . . . . 5084 1 384 . 1 1 65 65 LEU HD13 H 1 0.76 0.01 . 2 . . . . . . . . 5084 1 385 . 1 1 66 66 ARG N N 15 117.2 0.25 . 1 . . . . . . . . 5084 1 386 . 1 1 66 66 ARG H H 1 8.38 0.01 . 1 . . . . . . . . 5084 1 387 . 1 1 66 66 ARG HA H 1 3.79 0.01 . 1 . . . . . . . . 5084 1 388 . 1 1 66 66 ARG HB2 H 1 1.96 0.01 . 2 . . . . . . . . 5084 1 389 . 1 1 66 66 ARG HG2 H 1 1.73 0.01 . 2 . . . . . . . . 5084 1 390 . 1 1 66 66 ARG HD2 H 1 3.27 0.01 . 2 . . . . . . . . 5084 1 391 . 1 1 67 67 SER N N 15 111.1 0.25 . 1 . . . . . . . . 5084 1 392 . 1 1 67 67 SER H H 1 7.75 0.01 . 1 . . . . . . . . 5084 1 393 . 1 1 67 67 SER HA H 1 4.31 0.01 . 1 . . . . . . . . 5084 1 394 . 1 1 67 67 SER HB2 H 1 4.04 0.01 . 2 . . . . . . . . 5084 1 395 . 1 1 68 68 LYS N N 15 121.9 0.25 . 1 . . . . . . . . 5084 1 396 . 1 1 68 68 LYS H H 1 7.59 0.01 . 1 . . . . . . . . 5084 1 397 . 1 1 68 68 LYS HA H 1 4.26 0.01 . 1 . . . . . . . . 5084 1 398 . 1 1 68 68 LYS HB2 H 1 2.07 0.01 . 2 . . . . . . . . 5084 1 399 . 1 1 68 68 LYS HB3 H 1 1.86 0.01 . 2 . . . . . . . . 5084 1 400 . 1 1 68 68 LYS HG2 H 1 1.60 0.01 . 2 . . . . . . . . 5084 1 401 . 1 1 69 69 VAL N N 15 120.9 0.25 . 1 . . . . . . . . 5084 1 402 . 1 1 69 69 VAL H H 1 8.75 0.01 . 1 . . . . . . . . 5084 1 403 . 1 1 69 69 VAL HA H 1 3.51 0.01 . 1 . . . . . . . . 5084 1 404 . 1 1 69 69 VAL HB H 1 2.30 0.01 . 1 . . . . . . . . 5084 1 405 . 1 1 69 69 VAL HG11 H 1 1.11 0.01 . 2 . . . . . . . . 5084 1 406 . 1 1 69 69 VAL HG12 H 1 1.11 0.01 . 2 . . . . . . . . 5084 1 407 . 1 1 69 69 VAL HG13 H 1 1.11 0.01 . 2 . . . . . . . . 5084 1 408 . 1 1 69 69 VAL HG21 H 1 1.02 0.01 . 2 . . . . . . . . 5084 1 409 . 1 1 69 69 VAL HG22 H 1 1.02 0.01 . 2 . . . . . . . . 5084 1 410 . 1 1 69 69 VAL HG23 H 1 1.02 0.01 . 2 . . . . . . . . 5084 1 411 . 1 1 70 70 ASP N N 15 118.8 0.25 . 1 . . . . . . . . 5084 1 412 . 1 1 70 70 ASP H H 1 8.66 0.01 . 1 . . . . . . . . 5084 1 413 . 1 1 70 70 ASP HA H 1 4.37 0.01 . 1 . . . . . . . . 5084 1 414 . 1 1 70 70 ASP HB2 H 1 2.87 0.01 . 2 . . . . . . . . 5084 1 415 . 1 1 70 70 ASP HB3 H 1 2.64 0.01 . 2 . . . . . . . . 5084 1 416 . 1 1 71 71 GLU N N 15 121.9 0.25 . 1 . . . . . . . . 5084 1 417 . 1 1 71 71 GLU H H 1 7.67 0.01 . 1 . . . . . . . . 5084 1 418 . 1 1 71 71 GLU HA H 1 4.08 0.01 . 1 . . . . . . . . 5084 1 419 . 1 1 71 71 GLU HB2 H 1 2.21 0.01 . 2 . . . . . . . . 5084 1 420 . 1 1 71 71 GLU HG2 H 1 2.48 0.01 . 2 . . . . . . . . 5084 1 421 . 1 1 71 71 GLU HG3 H 1 2.11 0.01 . 2 . . . . . . . . 5084 1 422 . 1 1 72 72 ALA N N 15 121.9 0.25 . 1 . . . . . . . . 5084 1 423 . 1 1 72 72 ALA H H 1 8.25 0.01 . 1 . . . . . . . . 5084 1 424 . 1 1 72 72 ALA HA H 1 3.84 0.01 . 1 . . . . . . . . 5084 1 425 . 1 1 72 72 ALA HB1 H 1 1.58 0.01 . 1 . . . . . . . . 5084 1 426 . 1 1 72 72 ALA HB2 H 1 1.58 0.01 . 1 . . . . . . . . 5084 1 427 . 1 1 72 72 ALA HB3 H 1 1.58 0.01 . 1 . . . . . . . . 5084 1 428 . 1 1 73 73 VAL N N 15 117.3 0.25 . 1 . . . . . . . . 5084 1 429 . 1 1 73 73 VAL H H 1 8.72 0.01 . 1 . . . . . . . . 5084 1 430 . 1 1 73 73 VAL HA H 1 3.30 0.01 . 1 . . . . . . . . 5084 1 431 . 1 1 73 73 VAL HB H 1 2.02 0.01 . 1 . . . . . . . . 5084 1 432 . 1 1 73 73 VAL HG11 H 1 0.72 0.01 . 2 . . . . . . . . 5084 1 433 . 1 1 73 73 VAL HG12 H 1 0.72 0.01 . 2 . . . . . . . . 5084 1 434 . 1 1 73 73 VAL HG13 H 1 0.72 0.01 . 2 . . . . . . . . 5084 1 435 . 1 1 73 73 VAL HG21 H 1 0.54 0.01 . 2 . . . . . . . . 5084 1 436 . 1 1 73 73 VAL HG22 H 1 0.54 0.01 . 2 . . . . . . . . 5084 1 437 . 1 1 73 73 VAL HG23 H 1 0.54 0.01 . 2 . . . . . . . . 5084 1 438 . 1 1 74 74 ALA N N 15 122.1 0.25 . 1 . . . . . . . . 5084 1 439 . 1 1 74 74 ALA H H 1 7.57 0.01 . 1 . . . . . . . . 5084 1 440 . 1 1 74 74 ALA HA H 1 4.15 0.01 . 1 . . . . . . . . 5084 1 441 . 1 1 74 74 ALA HB1 H 1 1.53 0.01 . 1 . . . . . . . . 5084 1 442 . 1 1 74 74 ALA HB2 H 1 1.53 0.01 . 1 . . . . . . . . 5084 1 443 . 1 1 74 74 ALA HB3 H 1 1.53 0.01 . 1 . . . . . . . . 5084 1 444 . 1 1 75 75 VAL N N 15 120.9 0.25 . 1 . . . . . . . . 5084 1 445 . 1 1 75 75 VAL H H 1 8.33 0.01 . 1 . . . . . . . . 5084 1 446 . 1 1 75 75 VAL HA H 1 3.73 0.01 . 1 . . . . . . . . 5084 1 447 . 1 1 75 75 VAL HB H 1 2.23 0.01 . 1 . . . . . . . . 5084 1 448 . 1 1 75 75 VAL HG11 H 1 1.10 0.01 . 2 . . . . . . . . 5084 1 449 . 1 1 75 75 VAL HG12 H 1 1.10 0.01 . 2 . . . . . . . . 5084 1 450 . 1 1 75 75 VAL HG13 H 1 1.10 0.01 . 2 . . . . . . . . 5084 1 451 . 1 1 75 75 VAL HG21 H 1 0.89 0.01 . 2 . . . . . . . . 5084 1 452 . 1 1 75 75 VAL HG22 H 1 0.89 0.01 . 2 . . . . . . . . 5084 1 453 . 1 1 75 75 VAL HG23 H 1 0.89 0.01 . 2 . . . . . . . . 5084 1 454 . 1 1 76 76 LEU N N 15 121.9 0.25 . 1 . . . . . . . . 5084 1 455 . 1 1 76 76 LEU H H 1 7.97 0.01 . 1 . . . . . . . . 5084 1 456 . 1 1 76 76 LEU HA H 1 3.90 0.01 . 1 . . . . . . . . 5084 1 457 . 1 1 76 76 LEU HB2 H 1 2.11 0.01 . 2 . . . . . . . . 5084 1 458 . 1 1 76 76 LEU HB3 H 1 1.63 0.01 . 2 . . . . . . . . 5084 1 459 . 1 1 76 76 LEU HD11 H 1 0.89 0.01 . 2 . . . . . . . . 5084 1 460 . 1 1 76 76 LEU HD12 H 1 0.89 0.01 . 2 . . . . . . . . 5084 1 461 . 1 1 76 76 LEU HD13 H 1 0.89 0.01 . 2 . . . . . . . . 5084 1 462 . 1 1 77 77 GLN N N 15 118.3 0.25 . 1 . . . . . . . . 5084 1 463 . 1 1 77 77 GLN H H 1 8.62 0.01 . 1 . . . . . . . . 5084 1 464 . 1 1 77 77 GLN HA H 1 4.13 0.01 . 1 . . . . . . . . 5084 1 465 . 1 1 77 77 GLN HB2 H 1 2.16 0.01 . 2 . . . . . . . . 5084 1 466 . 1 1 77 77 GLN HB3 H 1 2.01 0.01 . 2 . . . . . . . . 5084 1 467 . 1 1 77 77 GLN HG2 H 1 2.63 0.01 . 2 . . . . . . . . 5084 1 468 . 1 1 77 77 GLN HG3 H 1 2.36 0.01 . 2 . . . . . . . . 5084 1 469 . 1 1 78 78 ALA N N 15 121.9 0.25 . 1 . . . . . . . . 5084 1 470 . 1 1 78 78 ALA H H 1 7.81 0.01 . 1 . . . . . . . . 5084 1 471 . 1 1 78 78 ALA HA H 1 4.26 0.01 . 1 . . . . . . . . 5084 1 472 . 1 1 78 78 ALA HB1 H 1 1.52 0.01 . 1 . . . . . . . . 5084 1 473 . 1 1 78 78 ALA HB2 H 1 1.52 0.01 . 1 . . . . . . . . 5084 1 474 . 1 1 78 78 ALA HB3 H 1 1.52 0.01 . 1 . . . . . . . . 5084 1 475 . 1 1 79 79 HIS N N 15 118.4 0.25 . 1 . . . . . . . . 5084 1 476 . 1 1 79 79 HIS H H 1 8.17 0.01 . 1 . . . . . . . . 5084 1 477 . 1 1 79 79 HIS HA H 1 4.50 0.01 . 1 . . . . . . . . 5084 1 478 . 1 1 79 79 HIS HB2 H 1 3.34 0.01 . 2 . . . . . . . . 5084 1 479 . 1 1 79 79 HIS HB3 H 1 3.24 0.01 . 2 . . . . . . . . 5084 1 480 . 1 1 79 79 HIS HD2 H 1 7.18 0.01 . 1 . . . . . . . . 5084 1 481 . 1 1 81 81 ALA H H 1 8.01 0.01 . 1 . . . . . . . . 5084 1 482 . 1 1 81 81 ALA HA H 1 4.19 0.01 . 1 . . . . . . . . 5084 1 483 . 1 1 81 81 ALA HB1 H 1 1.48 0.01 . 1 . . . . . . . . 5084 1 484 . 1 1 81 81 ALA HB2 H 1 1.48 0.01 . 1 . . . . . . . . 5084 1 485 . 1 1 81 81 ALA HB3 H 1 1.48 0.01 . 1 . . . . . . . . 5084 1 486 . 1 1 82 82 LYS N N 15 119.6 0.25 . 1 . . . . . . . . 5084 1 487 . 1 1 82 82 LYS H H 1 7.91 0.01 . 1 . . . . . . . . 5084 1 488 . 1 1 82 82 LYS HA H 1 4.16 0.01 . 1 . . . . . . . . 5084 1 489 . 1 1 82 82 LYS HB2 H 1 1.88 0.01 . 2 . . . . . . . . 5084 1 490 . 1 1 82 82 LYS HG2 H 1 2.22 0.01 . 2 . . . . . . . . 5084 1 491 . 1 1 84 84 ALA N N 15 122.0 0.25 . 1 . . . . . . . . 5084 1 492 . 1 1 84 84 ALA H H 1 8.14 0.01 . 1 . . . . . . . . 5084 1 493 . 1 1 85 85 ALA N N 15 120.4 0.25 . 1 . . . . . . . . 5084 1 494 . 1 1 85 85 ALA H H 1 7.98 0.01 . 1 . . . . . . . . 5084 1 495 . 1 1 86 86 GLN N N 15 117.5 0.25 . 1 . . . . . . . . 5084 1 496 . 1 1 86 86 GLN H H 1 8.04 0.01 . 1 . . . . . . . . 5084 1 497 . 1 1 87 87 LYS N N 15 120.4 0.25 . 1 . . . . . . . . 5084 1 498 . 1 1 87 87 LYS H H 1 8.09 0.01 . 1 . . . . . . . . 5084 1 499 . 1 1 88 88 ALA N N 15 123.5 0.25 . 1 . . . . . . . . 5084 1 500 . 1 1 88 88 ALA H H 1 8.10 0.01 . 1 . . . . . . . . 5084 1 501 . 1 1 89 89 VAL N N 15 118.0 0.25 . 1 . . . . . . . . 5084 1 502 . 1 1 89 89 VAL H H 1 8.03 0.01 . 1 . . . . . . . . 5084 1 503 . 1 1 90 90 ASN N N 15 121.3 0.25 . 1 . . . . . . . . 5084 1 504 . 1 1 90 90 ASN H H 1 8.45 0.01 . 1 . . . . . . . . 5084 1 505 . 1 1 91 91 SER N N 15 116.0 0.25 . 1 . . . . . . . . 5084 1 506 . 1 1 91 91 SER H H 1 8.32 0.01 . 1 . . . . . . . . 5084 1 507 . 1 1 92 92 ALA N N 15 125.4 0.25 . 1 . . . . . . . . 5084 1 508 . 1 1 92 92 ALA H H 1 8.40 0.01 . 1 . . . . . . . . 5084 1 509 . 1 1 93 93 THR N N 15 111.1 0.25 . 1 . . . . . . . . 5084 1 510 . 1 1 93 93 THR H H 1 8.10 0.01 . 1 . . . . . . . . 5084 1 511 . 1 1 94 94 GLY N N 15 110.6 0.25 . 1 . . . . . . . . 5084 1 512 . 1 1 94 94 GLY H H 1 8.34 0.01 . 1 . . . . . . . . 5084 1 513 . 1 1 95 95 VAL N N 15 119.9 0.25 . 1 . . . . . . . . 5084 1 514 . 1 1 95 95 VAL H H 1 7.98 0.01 . 1 . . . . . . . . 5084 1 515 . 1 1 97 97 THR N N 15 115.2 0.25 . 1 . . . . . . . . 5084 1 516 . 1 1 97 97 THR H H 1 8.37 0.01 . 1 . . . . . . . . 5084 1 517 . 1 1 98 98 VAL N N 15 125.6 0.25 . 1 . . . . . . . . 5084 1 518 . 1 1 98 98 VAL H H 1 7.78 0.01 . 1 . . . . . . . . 5084 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_chemical_shift_set_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_2 _Assigned_chem_shift_list.Entry_ID 5084 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5084 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 2 4 4 SER N N 15 114.8 0.25 . 1 . . . . . . . . 5084 2 2 . 2 2 4 4 SER H H 1 8.37 0.01 . 1 . . . . . . . . 5084 2 3 . 2 2 5 5 LYS N N 15 124.0 0.25 . 1 . . . . . . . . 5084 2 4 . 2 2 5 5 LYS H H 1 8.80 0.01 . 1 . . . . . . . . 5084 2 5 . 2 2 5 5 LYS HA H 1 4.39 0.01 . 1 . . . . . . . . 5084 2 6 . 2 2 5 5 LYS HB2 H 1 1.67 0.01 . 2 . . . . . . . . 5084 2 7 . 2 2 5 5 LYS HG2 H 1 1.94 0.01 . 2 . . . . . . . . 5084 2 8 . 2 2 5 5 LYS HG3 H 1 1.47 0.01 . 2 . . . . . . . . 5084 2 9 . 2 2 6 6 LEU N N 15 120.9 0.25 . 1 . . . . . . . . 5084 2 10 . 2 2 6 6 LEU H H 1 8.44 0.01 . 1 . . . . . . . . 5084 2 11 . 2 2 6 6 LEU HA H 1 4.45 0.01 . 1 . . . . . . . . 5084 2 12 . 2 2 6 6 LEU HB2 H 1 1.74 0.01 . 2 . . . . . . . . 5084 2 13 . 2 2 6 6 LEU HD11 H 1 0.77 0.01 . 2 . . . . . . . . 5084 2 14 . 2 2 6 6 LEU HD12 H 1 0.77 0.01 . 2 . . . . . . . . 5084 2 15 . 2 2 6 6 LEU HD13 H 1 0.77 0.01 . 2 . . . . . . . . 5084 2 16 . 2 2 7 7 SER N N 15 114.7 0.25 . 1 . . . . . . . . 5084 2 17 . 2 2 7 7 SER H H 1 9.03 0.01 . 1 . . . . . . . . 5084 2 18 . 2 2 7 7 SER HB2 H 1 3.91 0.01 . 2 . . . . . . . . 5084 2 19 . 2 2 8 8 VAL N N 15 121.4 0.25 . 1 . . . . . . . . 5084 2 20 . 2 2 8 8 VAL H H 1 8.52 0.01 . 1 . . . . . . . . 5084 2 21 . 2 2 8 8 VAL HA H 1 3.93 0.01 . 1 . . . . . . . . 5084 2 22 . 2 2 8 8 VAL HB H 1 2.04 0.01 . 1 . . . . . . . . 5084 2 23 . 2 2 8 8 VAL HG11 H 1 0.70 0.01 . 2 . . . . . . . . 5084 2 24 . 2 2 8 8 VAL HG12 H 1 0.70 0.01 . 2 . . . . . . . . 5084 2 25 . 2 2 8 8 VAL HG13 H 1 0.70 0.01 . 2 . . . . . . . . 5084 2 26 . 2 2 8 8 VAL HG21 H 1 0.46 0.01 . 2 . . . . . . . . 5084 2 27 . 2 2 8 8 VAL HG22 H 1 0.46 0.01 . 2 . . . . . . . . 5084 2 28 . 2 2 8 8 VAL HG23 H 1 0.46 0.01 . 2 . . . . . . . . 5084 2 29 . 2 2 9 9 ASN N N 15 117.3 0.25 . 1 . . . . . . . . 5084 2 30 . 2 2 9 9 ASN H H 1 7.94 0.01 . 1 . . . . . . . . 5084 2 31 . 2 2 9 9 ASN HA H 1 4.69 0.01 . 1 . . . . . . . . 5084 2 32 . 2 2 9 9 ASN HB2 H 1 2.89 0.01 . 2 . . . . . . . . 5084 2 33 . 2 2 9 9 ASN HB3 H 1 2.44 0.01 . 2 . . . . . . . . 5084 2 34 . 2 2 10 10 ALA N N 15 125.0 0.25 . 1 . . . . . . . . 5084 2 35 . 2 2 10 10 ALA H H 1 7.12 0.01 . 1 . . . . . . . . 5084 2 36 . 2 2 10 10 ALA HA H 1 4.33 0.01 . 1 . . . . . . . . 5084 2 37 . 2 2 10 10 ALA HB1 H 1 1.26 0.01 . 1 . . . . . . . . 5084 2 38 . 2 2 10 10 ALA HB2 H 1 1.26 0.01 . 1 . . . . . . . . 5084 2 39 . 2 2 10 10 ALA HB3 H 1 1.26 0.01 . 1 . . . . . . . . 5084 2 40 . 2 2 12 12 GLU N N 15 118.3 0.25 . 1 . . . . . . . . 5084 2 41 . 2 2 12 12 GLU H H 1 8.44 0.01 . 1 . . . . . . . . 5084 2 42 . 2 2 12 12 GLU HA H 1 3.89 0.01 . 1 . . . . . . . . 5084 2 43 . 2 2 12 12 GLU HB2 H 1 1.87 0.01 . 2 . . . . . . . . 5084 2 44 . 2 2 13 13 PHE N N 15 122.4 0.25 . 1 . . . . . . . . 5084 2 45 . 2 2 13 13 PHE HA H 1 4.42 0.01 . 1 . . . . . . . . 5084 2 46 . 2 2 13 13 PHE HB2 H 1 2.87 0.01 . 2 . . . . . . . . 5084 2 47 . 2 2 13 13 PHE HB3 H 1 2.64 0.01 . 2 . . . . . . . . 5084 2 48 . 2 2 13 13 PHE HD1 H 1 6.89 0.01 . 3 . . . . . . . . 5084 2 49 . 2 2 13 13 PHE HE1 H 1 6.95 0.01 . 3 . . . . . . . . 5084 2 50 . 2 2 13 13 PHE HZ H 1 7.18 0.01 . 1 . . . . . . . . 5084 2 51 . 2 2 14 14 TYR N N 15 121.4 0.25 . 1 . . . . . . . . 5084 2 52 . 2 2 14 14 TYR H H 1 7.04 0.01 . 1 . . . . . . . . 5084 2 53 . 2 2 14 14 TYR HA H 1 4.07 0.01 . 1 . . . . . . . . 5084 2 54 . 2 2 14 14 TYR HB2 H 1 2.32 0.01 . 2 . . . . . . . . 5084 2 55 . 2 2 14 14 TYR HB3 H 1 2.16 0.01 . 2 . . . . . . . . 5084 2 56 . 2 2 14 14 TYR HD1 H 1 6.64 0.01 . 3 . . . . . . . . 5084 2 57 . 2 2 14 14 TYR HE1 H 1 6.77 0.01 . 3 . . . . . . . . 5084 2 58 . 2 2 15 15 PRO HA H 1 4.08 0.01 . 1 . . . . . . . . 5084 2 59 . 2 2 16 16 SER N N 15 117.8 0.25 . 1 . . . . . . . . 5084 2 60 . 2 2 16 16 SER H H 1 9.35 0.01 . 1 . . . . . . . . 5084 2 61 . 2 2 16 16 SER HA H 1 4.17 0.01 . 1 . . . . . . . . 5084 2 62 . 2 2 16 16 SER HB2 H 1 3.84 0.01 . 2 . . . . . . . . 5084 2 63 . 2 2 17 17 GLY N N 15 111.6 0.25 . 1 . . . . . . . . 5084 2 64 . 2 2 17 17 GLY H H 1 8.73 0.01 . 1 . . . . . . . . 5084 2 65 . 2 2 17 17 GLY HA2 H 1 3.98 0.01 . 2 . . . . . . . . 5084 2 66 . 2 2 17 17 GLY HA3 H 1 3.82 0.01 . 2 . . . . . . . . 5084 2 67 . 2 2 18 18 TYR N N 15 120.4 0.25 . 1 . . . . . . . . 5084 2 68 . 2 2 18 18 TYR H H 1 7.77 0.01 . 1 . . . . . . . . 5084 2 69 . 2 2 18 18 TYR HA H 1 4.36 0.01 . 1 . . . . . . . . 5084 2 70 . 2 2 18 18 TYR HB2 H 1 2.93 0.01 . 2 . . . . . . . . 5084 2 71 . 2 2 18 18 TYR HB3 H 1 2.83 0.01 . 2 . . . . . . . . 5084 2 72 . 2 2 18 18 TYR HD1 H 1 6.96 0.01 . 3 . . . . . . . . 5084 2 73 . 2 2 18 18 TYR HE1 H 1 6.80 0.01 . 3 . . . . . . . . 5084 2 74 . 2 2 19 19 SER N N 15 117.8 0.25 . 1 . . . . . . . . 5084 2 75 . 2 2 19 19 SER H H 1 7.97 0.01 . 1 . . . . . . . . 5084 2 76 . 2 2 19 19 SER HA H 1 4.26 0.01 . 1 . . . . . . . . 5084 2 77 . 2 2 19 19 SER HB2 H 1 3.72 0.01 . 2 . . . . . . . . 5084 2 78 . 2 2 19 19 SER HB3 H 1 3.66 0.01 . 2 . . . . . . . . 5084 2 79 . 2 2 20 20 SER N N 15 116.9 0.25 . 1 . . . . . . . . 5084 2 80 . 2 2 20 20 SER H H 1 8.10 0.01 . 1 . . . . . . . . 5084 2 81 . 2 2 21 21 SER N N 15 117.2 0.25 . 1 . . . . . . . . 5084 2 82 . 2 2 21 21 SER H H 1 8.19 0.01 . 1 . . . . . . . . 5084 2 83 . 2 2 22 22 TYR N N 15 125.8 0.25 . 1 . . . . . . . . 5084 2 84 . 2 2 22 22 TYR H H 1 7.64 0.01 . 1 . . . . . . . . 5084 2 85 . 2 2 22 22 TYR HB2 H 1 3.06 0.01 . 2 . . . . . . . . 5084 2 86 . 2 2 22 22 TYR HB3 H 1 2.88 0.01 . 2 . . . . . . . . 5084 2 87 . 2 2 22 22 TYR HD1 H 1 7.09 0.01 . 3 . . . . . . . . 5084 2 stop_ save_