################################### # 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_chemical_shifts_ROM_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_ROM_1 _Assigned_chem_shift_list.Entry_ID 4072 _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 _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_ROM_1 . 4072 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 7 7 THR H H 1 8.14 0.02 . 1 . . . . . . . . 4072 1 2 . 1 1 7 7 THR N N 15 116.0 0.20 . 1 . . . . . . . . 4072 1 3 . 1 1 7 7 THR CA C 13 66.5 0.20 . 1 . . . . . . . . 4072 1 4 . 1 1 7 7 THR HA H 1 4.03 0.02 . 1 . . . . . . . . 4072 1 5 . 1 1 7 7 THR CB C 13 68.5 0.20 . 1 . . . . . . . . 4072 1 6 . 1 1 8 8 ALA H H 1 7.61 0.02 . 1 . . . . . . . . 4072 1 7 . 1 1 8 8 ALA N N 15 123.9 0.20 . 1 . . . . . . . . 4072 1 8 . 1 1 8 8 ALA CA C 13 55.3 0.20 . 1 . . . . . . . . 4072 1 9 . 1 1 8 8 ALA HA H 1 4.00 0.02 . 1 . . . . . . . . 4072 1 10 . 1 1 8 8 ALA CB C 13 17.4 0.20 . 1 . . . . . . . . 4072 1 11 . 1 1 9 9 LEU H H 1 8.18 0.02 . 1 . . . . . . . . 4072 1 12 . 1 1 9 9 LEU N N 15 118.1 0.20 . 1 . . . . . . . . 4072 1 13 . 1 1 9 9 LEU CA C 13 58.3 0.20 . 1 . . . . . . . . 4072 1 14 . 1 1 9 9 LEU HA H 1 4.13 0.02 . 1 . . . . . . . . 4072 1 15 . 1 1 9 9 LEU CB C 13 42.5 0.20 . 1 . . . . . . . . 4072 1 16 . 1 1 10 10 ASN H H 1 8.66 0.02 . 1 . . . . . . . . 4072 1 17 . 1 1 10 10 ASN N N 15 116.8 0.20 . 1 . . . . . . . . 4072 1 18 . 1 1 10 10 ASN CA C 13 55.9 0.20 . 1 . . . . . . . . 4072 1 19 . 1 1 10 10 ASN HA H 1 4.58 0.02 . 1 . . . . . . . . 4072 1 20 . 1 1 10 10 ASN CB C 13 38.0 0.20 . 1 . . . . . . . . 4072 1 21 . 1 1 10 10 ASN HD21 H 1 7.04 0.02 . 2 . . . . . . . . 4072 1 22 . 1 1 10 10 ASN HD22 H 1 7.65 0.02 . 2 . . . . . . . . 4072 1 23 . 1 1 10 10 ASN ND2 N 15 111.9 0.20 . 1 . . . . . . . . 4072 1 24 . 1 1 11 11 MET H H 1 8.44 0.02 . 1 . . . . . . . . 4072 1 25 . 1 1 11 11 MET N N 15 121.2 0.20 . 1 . . . . . . . . 4072 1 26 . 1 1 11 11 MET CA C 13 59.7 0.20 . 1 . . . . . . . . 4072 1 27 . 1 1 11 11 MET HA H 1 4.40 0.02 . 1 . . . . . . . . 4072 1 28 . 1 1 11 11 MET CB C 13 33.4 0.20 . 1 . . . . . . . . 4072 1 29 . 1 1 12 12 ALA H H 1 8.63 0.02 . 1 . . . . . . . . 4072 1 30 . 1 1 12 12 ALA N N 15 122.3 0.20 . 1 . . . . . . . . 4072 1 31 . 1 1 12 12 ALA CA C 13 55.5 0.20 . 1 . . . . . . . . 4072 1 32 . 1 1 12 12 ALA HA H 1 4.15 0.02 . 1 . . . . . . . . 4072 1 33 . 1 1 12 12 ALA CB C 13 17.8 0.20 . 1 . . . . . . . . 4072 1 34 . 1 1 13 13 ARG H H 1 8.69 0.02 . 1 . . . . . . . . 4072 1 35 . 1 1 13 13 ARG N N 15 120.8 0.20 . 1 . . . . . . . . 4072 1 36 . 1 1 13 13 ARG CA C 13 59.8 0.20 . 1 . . . . . . . . 4072 1 37 . 1 1 13 13 ARG HA H 1 3.37 0.02 . 1 . . . . . . . . 4072 1 38 . 1 1 14 14 PHE H H 1 8.58 0.02 . 1 . . . . . . . . 4072 1 39 . 1 1 14 14 PHE N N 15 121.5 0.20 . 1 . . . . . . . . 4072 1 40 . 1 1 14 14 PHE CA C 13 60.6 0.20 . 1 . . . . . . . . 4072 1 41 . 1 1 14 14 PHE HA H 1 4.61 0.02 . 1 . . . . . . . . 4072 1 42 . 1 1 14 14 PHE CB C 13 39.0 0.20 . 1 . . . . . . . . 4072 1 43 . 1 1 14 14 PHE HD1 H 1 7.40 0.02 . 3 . . . . . . . . 4072 1 44 . 1 1 15 15 ILE H H 1 8.77 0.02 . 1 . . . . . . . . 4072 1 45 . 1 1 15 15 ILE N N 15 120.1 0.20 . 1 . . . . . . . . 4072 1 46 . 1 1 15 15 ILE CA C 13 66.2 0.20 . 1 . . . . . . . . 4072 1 47 . 1 1 15 15 ILE HA H 1 3.40 0.02 . 1 . . . . . . . . 4072 1 48 . 1 1 15 15 ILE CB C 13 38.5 0.20 . 1 . . . . . . . . 4072 1 49 . 1 1 16 16 ARG H H 1 7.81 0.02 . 1 . . . . . . . . 4072 1 50 . 1 1 16 16 ARG N N 15 119.5 0.20 . 1 . . . . . . . . 4072 1 51 . 1 1 16 16 ARG CA C 13 60.5 0.20 . 1 . . . . . . . . 4072 1 52 . 1 1 16 16 ARG HA H 1 3.93 0.02 . 1 . . . . . . . . 4072 1 53 . 1 1 16 16 ARG CB C 13 30.1 0.20 . 1 . . . . . . . . 4072 1 54 . 1 1 17 17 SER H H 1 8.33 0.02 . 1 . . . . . . . . 4072 1 55 . 1 1 17 17 SER N N 15 116.2 0.20 . 1 . . . . . . . . 4072 1 56 . 1 1 17 17 SER CA C 13 62.0 0.20 . 1 . . . . . . . . 4072 1 57 . 1 1 17 17 SER HA H 1 4.35 0.02 . 1 . . . . . . . . 4072 1 58 . 1 1 17 17 SER CB C 13 62.8 0.20 . 1 . . . . . . . . 4072 1 59 . 1 1 18 18 GLN H H 1 8.72 0.02 . 1 . . . . . . . . 4072 1 60 . 1 1 18 18 GLN N N 15 121.8 0.20 . 1 . . . . . . . . 4072 1 61 . 1 1 18 18 GLN CA C 13 58.6 0.20 . 1 . . . . . . . . 4072 1 62 . 1 1 18 18 GLN HA H 1 4.05 0.02 . 1 . . . . . . . . 4072 1 63 . 1 1 18 18 GLN CB C 13 29.0 0.20 . 1 . . . . . . . . 4072 1 64 . 1 1 19 19 THR H H 1 8.32 0.02 . 1 . . . . . . . . 4072 1 65 . 1 1 19 19 THR N N 15 109.2 0.20 . 1 . . . . . . . . 4072 1 66 . 1 1 19 19 THR CA C 13 66.2 0.20 . 1 . . . . . . . . 4072 1 67 . 1 1 19 19 THR HA H 1 3.88 0.02 . 1 . . . . . . . . 4072 1 68 . 1 1 19 19 THR CB C 13 69.1 0.20 . 1 . . . . . . . . 4072 1 69 . 1 1 20 20 LEU H H 1 7.17 0.02 . 1 . . . . . . . . 4072 1 70 . 1 1 20 20 LEU N N 15 122.7 0.20 . 1 . . . . . . . . 4072 1 71 . 1 1 20 20 LEU CA C 13 57.4 0.20 . 1 . . . . . . . . 4072 1 72 . 1 1 20 20 LEU HA H 1 4.04 0.02 . 1 . . . . . . . . 4072 1 73 . 1 1 20 20 LEU CB C 13 41.5 0.20 . 1 . . . . . . . . 4072 1 74 . 1 1 21 21 THR H H 1 7.83 0.02 . 1 . . . . . . . . 4072 1 75 . 1 1 21 21 THR N N 15 117.7 0.20 . 1 . . . . . . . . 4072 1 76 . 1 1 21 21 THR CA C 13 66.3 0.20 . 1 . . . . . . . . 4072 1 77 . 1 1 21 21 THR HA H 1 4.05 0.02 . 1 . . . . . . . . 4072 1 78 . 1 1 21 21 THR CB C 13 68.5 0.20 . 1 . . . . . . . . 4072 1 79 . 1 1 22 22 LEU H H 1 8.31 0.02 . 1 . . . . . . . . 4072 1 80 . 1 1 22 22 LEU N N 15 121.9 0.20 . 1 . . . . . . . . 4072 1 81 . 1 1 22 22 LEU CA C 13 57.5 0.20 . 1 . . . . . . . . 4072 1 82 . 1 1 22 22 LEU HA H 1 4.20 0.02 . 1 . . . . . . . . 4072 1 83 . 1 1 22 22 LEU CB C 13 40.2 0.20 . 1 . . . . . . . . 4072 1 84 . 1 1 23 23 LEU H H 1 8.02 0.02 . 1 . . . . . . . . 4072 1 85 . 1 1 23 23 LEU N N 15 122.9 0.20 . 1 . . . . . . . . 4072 1 86 . 1 1 23 23 LEU CA C 13 58.8 0.20 . 1 . . . . . . . . 4072 1 87 . 1 1 23 23 LEU HA H 1 4.01 0.02 . 1 . . . . . . . . 4072 1 88 . 1 1 23 23 LEU CB C 13 42.2 0.20 . 1 . . . . . . . . 4072 1 89 . 1 1 24 24 GLU H H 1 7.68 0.02 . 1 . . . . . . . . 4072 1 90 . 1 1 24 24 GLU N N 15 117.3 0.20 . 1 . . . . . . . . 4072 1 91 . 1 1 24 24 GLU CA C 13 59.4 0.20 . 1 . . . . . . . . 4072 1 92 . 1 1 24 24 GLU HA H 1 4.14 0.02 . 1 . . . . . . . . 4072 1 93 . 1 1 24 24 GLU CB C 13 29.3 0.20 . 1 . . . . . . . . 4072 1 94 . 1 1 25 25 LYS H H 1 7.90 0.02 . 1 . . . . . . . . 4072 1 95 . 1 1 25 25 LYS N N 15 119.0 0.20 . 1 . . . . . . . . 4072 1 96 . 1 1 25 25 LYS CA C 13 58.3 0.20 . 1 . . . . . . . . 4072 1 97 . 1 1 25 25 LYS HA H 1 4.21 0.02 . 1 . . . . . . . . 4072 1 98 . 1 1 25 25 LYS CB C 13 31.5 0.20 . 1 . . . . . . . . 4072 1 99 . 1 1 26 26 LEU H H 1 8.92 0.02 . 1 . . . . . . . . 4072 1 100 . 1 1 26 26 LEU N N 15 119.4 0.20 . 1 . . . . . . . . 4072 1 101 . 1 1 26 26 LEU CA C 13 58.0 0.20 . 1 . . . . . . . . 4072 1 102 . 1 1 26 26 LEU HA H 1 4.21 0.02 . 1 . . . . . . . . 4072 1 103 . 1 1 26 26 LEU CB C 13 42.0 0.20 . 1 . . . . . . . . 4072 1 104 . 1 1 27 27 ASN H H 1 8.53 0.02 . 1 . . . . . . . . 4072 1 105 . 1 1 27 27 ASN N N 15 118.3 0.20 . 1 . . . . . . . . 4072 1 106 . 1 1 27 27 ASN CA C 13 55.9 0.20 . 1 . . . . . . . . 4072 1 107 . 1 1 27 27 ASN HA H 1 4.71 0.02 . 1 . . . . . . . . 4072 1 108 . 1 1 27 27 ASN CB C 13 38.1 0.20 . 1 . . . . . . . . 4072 1 109 . 1 1 27 27 ASN HD21 H 1 6.80 0.02 . 2 . . . . . . . . 4072 1 110 . 1 1 27 27 ASN HD22 H 1 7.38 0.02 . 2 . . . . . . . . 4072 1 111 . 1 1 27 27 ASN ND2 N 15 109.9 0.20 . 1 . . . . . . . . 4072 1 112 . 1 1 28 28 GLU H H 1 8.05 0.02 . 1 . . . . . . . . 4072 1 113 . 1 1 28 28 GLU N N 15 121.5 0.20 . 1 . . . . . . . . 4072 1 114 . 1 1 28 28 GLU CA C 13 58.7 0.20 . 1 . . . . . . . . 4072 1 115 . 1 1 28 28 GLU HA H 1 4.21 0.02 . 1 . . . . . . . . 4072 1 116 . 1 1 28 28 GLU CB C 13 29.7 0.20 . 1 . . . . . . . . 4072 1 117 . 1 1 29 29 LEU H H 1 7.34 0.02 . 1 . . . . . . . . 4072 1 118 . 1 1 29 29 LEU N N 15 117.9 0.20 . 1 . . . . . . . . 4072 1 119 . 1 1 29 29 LEU CA C 13 54.5 0.20 . 1 . . . . . . . . 4072 1 120 . 1 1 29 29 LEU HA H 1 4.38 0.02 . 1 . . . . . . . . 4072 1 121 . 1 1 29 29 LEU CB C 13 43.3 0.20 . 1 . . . . . . . . 4072 1 122 . 1 1 30 30 ASP H H 1 8.18 0.02 . 1 . . . . . . . . 4072 1 123 . 1 1 30 30 ASP N N 15 118.0 0.20 . 1 . . . . . . . . 4072 1 124 . 1 1 30 30 ASP CA C 13 55.0 0.20 . 1 . . . . . . . . 4072 1 125 . 1 1 30 30 ASP HA H 1 4.51 0.02 . 1 . . . . . . . . 4072 1 126 . 1 1 30 30 ASP CB C 13 38.9 0.20 . 1 . . . . . . . . 4072 1 127 . 1 1 31 31 ALA H H 1 7.91 0.02 . 1 . . . . . . . . 4072 1 128 . 1 1 31 31 ALA N N 15 122.8 0.20 . 1 . . . . . . . . 4072 1 129 . 1 1 31 31 ALA CA C 13 50.1 0.20 . 1 . . . . . . . . 4072 1 130 . 1 1 31 31 ALA HA H 1 4.84 0.02 . 1 . . . . . . . . 4072 1 131 . 1 1 31 31 ALA CB C 13 16.9 0.20 . 1 . . . . . . . . 4072 1 132 . 1 1 32 32 ASP H H 1 7.94 0.02 . 1 . . . . . . . . 4072 1 133 . 1 1 32 32 ASP N N 15 121.2 0.20 . 1 . . . . . . . . 4072 1 134 . 1 1 32 32 ASP CA C 13 58.3 0.20 . 1 . . . . . . . . 4072 1 135 . 1 1 32 32 ASP HA H 1 4.24 0.02 . 1 . . . . . . . . 4072 1 136 . 1 1 32 32 ASP CB C 13 40.3 0.20 . 1 . . . . . . . . 4072 1 137 . 1 1 33 33 GLU H H 1 8.95 0.02 . 1 . . . . . . . . 4072 1 138 . 1 1 33 33 GLU N N 15 119.5 0.20 . 1 . . . . . . . . 4072 1 139 . 1 1 33 33 GLU CA C 13 59.5 0.20 . 1 . . . . . . . . 4072 1 140 . 1 1 33 33 GLU HA H 1 4.07 0.02 . 1 . . . . . . . . 4072 1 141 . 1 1 33 33 GLU CB C 13 29.1 0.20 . 1 . . . . . . . . 4072 1 142 . 1 1 34 34 GLN H H 1 7.41 0.02 . 1 . . . . . . . . 4072 1 143 . 1 1 34 34 GLN N N 15 117.7 0.20 . 1 . . . . . . . . 4072 1 144 . 1 1 34 34 GLN CA C 13 60.7 0.20 . 1 . . . . . . . . 4072 1 145 . 1 1 34 34 GLN HA H 1 3.88 0.02 . 1 . . . . . . . . 4072 1 146 . 1 1 34 34 GLN CB C 13 27.4 0.20 . 1 . . . . . . . . 4072 1 147 . 1 1 34 34 GLN HE21 H 1 6.61 0.02 . 2 . . . . . . . . 4072 1 148 . 1 1 34 34 GLN HE22 H 1 6.69 0.02 . 2 . . . . . . . . 4072 1 149 . 1 1 34 34 GLN NE2 N 15 111.0 0.20 . 1 . . . . . . . . 4072 1 150 . 1 1 35 35 ALA H H 1 9.09 0.02 . 1 . . . . . . . . 4072 1 151 . 1 1 35 35 ALA N N 15 123.6 0.20 . 1 . . . . . . . . 4072 1 152 . 1 1 35 35 ALA CA C 13 55.7 0.20 . 1 . . . . . . . . 4072 1 153 . 1 1 35 35 ALA HA H 1 3.86 0.02 . 1 . . . . . . . . 4072 1 154 . 1 1 35 35 ALA CB C 13 17.6 0.20 . 1 . . . . . . . . 4072 1 155 . 1 1 36 36 ASP H H 1 8.12 0.02 . 1 . . . . . . . . 4072 1 156 . 1 1 36 36 ASP N N 15 118.1 0.20 . 1 . . . . . . . . 4072 1 157 . 1 1 36 36 ASP CA C 13 57.9 0.20 . 1 . . . . . . . . 4072 1 158 . 1 1 36 36 ASP HA H 1 4.47 0.02 . 1 . . . . . . . . 4072 1 159 . 1 1 36 36 ASP CB C 13 40.3 0.20 . 1 . . . . . . . . 4072 1 160 . 1 1 37 37 ILE H H 1 7.43 0.02 . 1 . . . . . . . . 4072 1 161 . 1 1 37 37 ILE N N 15 119.6 0.20 . 1 . . . . . . . . 4072 1 162 . 1 1 37 37 ILE CA C 13 64.7 0.20 . 1 . . . . . . . . 4072 1 163 . 1 1 37 37 ILE HA H 1 4.07 0.02 . 1 . . . . . . . . 4072 1 164 . 1 1 37 37 ILE CB C 13 38.1 0.20 . 1 . . . . . . . . 4072 1 165 . 1 1 38 38 CYS H H 1 8.83 0.02 . 1 . . . . . . . . 4072 1 166 . 1 1 38 38 CYS N N 15 121.4 0.20 . 1 . . . . . . . . 4072 1 167 . 1 1 38 38 CYS CA C 13 62.3 0.20 . 1 . . . . . . . . 4072 1 168 . 1 1 38 38 CYS HA H 1 4.08 0.02 . 1 . . . . . . . . 4072 1 169 . 1 1 38 38 CYS CB C 13 27.1 0.20 . 1 . . . . . . . . 4072 1 170 . 1 1 39 39 GLU H H 1 9.18 0.02 . 1 . . . . . . . . 4072 1 171 . 1 1 39 39 GLU N N 15 122.8 0.20 . 1 . . . . . . . . 4072 1 172 . 1 1 39 39 GLU CA C 13 60.4 0.20 . 1 . . . . . . . . 4072 1 173 . 1 1 39 39 GLU HA H 1 4.08 0.02 . 1 . . . . . . . . 4072 1 174 . 1 1 39 39 GLU CB C 13 28.8 0.20 . 1 . . . . . . . . 4072 1 175 . 1 1 40 40 SER H H 1 7.45 0.02 . 1 . . . . . . . . 4072 1 176 . 1 1 40 40 SER N N 15 114.1 0.20 . 1 . . . . . . . . 4072 1 177 . 1 1 40 40 SER CA C 13 60.9 0.20 . 1 . . . . . . . . 4072 1 178 . 1 1 40 40 SER HA H 1 4.55 0.02 . 1 . . . . . . . . 4072 1 179 . 1 1 40 40 SER CB C 13 62.8 0.20 . 1 . . . . . . . . 4072 1 180 . 1 1 41 41 LEU H H 1 8.90 0.02 . 1 . . . . . . . . 4072 1 181 . 1 1 41 41 LEU N N 15 124.8 0.20 . 1 . . . . . . . . 4072 1 182 . 1 1 41 41 LEU CA C 13 57.9 0.20 . 1 . . . . . . . . 4072 1 183 . 1 1 41 41 LEU HA H 1 3.68 0.02 . 1 . . . . . . . . 4072 1 184 . 1 1 41 41 LEU CB C 13 42.2 0.20 . 1 . . . . . . . . 4072 1 185 . 1 1 42 42 HIS H H 1 8.94 0.02 . 1 . . . . . . . . 4072 1 186 . 1 1 42 42 HIS N N 15 119.1 0.20 . 1 . . . . . . . . 4072 1 187 . 1 1 42 42 HIS CA C 13 59.9 0.20 . 1 . . . . . . . . 4072 1 188 . 1 1 42 42 HIS CB C 13 27.5 0.20 . 1 . . . . . . . . 4072 1 189 . 1 1 43 43 ASP H H 1 8.01 0.02 . 1 . . . . . . . . 4072 1 190 . 1 1 43 43 ASP N N 15 121.3 0.20 . 1 . . . . . . . . 4072 1 191 . 1 1 43 43 ASP CA C 13 57.6 0.20 . 1 . . . . . . . . 4072 1 192 . 1 1 43 43 ASP HA H 1 4.35 0.02 . 1 . . . . . . . . 4072 1 193 . 1 1 43 43 ASP CB C 13 39.8 0.20 . 1 . . . . . . . . 4072 1 194 . 1 1 44 44 HIS H H 1 8.50 0.02 . 1 . . . . . . . . 4072 1 195 . 1 1 44 44 HIS N N 15 122.5 0.20 . 1 . . . . . . . . 4072 1 196 . 1 1 44 44 HIS CA C 13 57.0 0.20 . 1 . . . . . . . . 4072 1 197 . 1 1 44 44 HIS HA H 1 4.72 0.02 . 1 . . . . . . . . 4072 1 198 . 1 1 44 44 HIS CB C 13 30.7 0.20 . 1 . . . . . . . . 4072 1 199 . 1 1 45 45 ALA H H 1 9.18 0.02 . 1 . . . . . . . . 4072 1 200 . 1 1 45 45 ALA N N 15 123.0 0.20 . 1 . . . . . . . . 4072 1 201 . 1 1 45 45 ALA CA C 13 54.6 0.20 . 1 . . . . . . . . 4072 1 202 . 1 1 45 45 ALA HA H 1 4.13 0.02 . 1 . . . . . . . . 4072 1 203 . 1 1 45 45 ALA CB C 13 17.7 0.20 . 1 . . . . . . . . 4072 1 204 . 1 1 46 46 ASP H H 1 8.70 0.02 . 1 . . . . . . . . 4072 1 205 . 1 1 46 46 ASP N N 15 121.6 0.20 . 1 . . . . . . . . 4072 1 206 . 1 1 46 46 ASP CA C 13 58.5 0.20 . 1 . . . . . . . . 4072 1 207 . 1 1 46 46 ASP HA H 1 4.53 0.02 . 1 . . . . . . . . 4072 1 208 . 1 1 46 46 ASP CB C 13 42.0 0.20 . 1 . . . . . . . . 4072 1 209 . 1 1 47 47 GLU H H 1 8.18 0.02 . 1 . . . . . . . . 4072 1 210 . 1 1 47 47 GLU N N 15 120.4 0.20 . 1 . . . . . . . . 4072 1 211 . 1 1 47 47 GLU CA C 13 59.9 0.20 . 1 . . . . . . . . 4072 1 212 . 1 1 47 47 GLU HA H 1 4.02 0.02 . 1 . . . . . . . . 4072 1 213 . 1 1 47 47 GLU CB C 13 28.9 0.20 . 1 . . . . . . . . 4072 1 214 . 1 1 48 48 LEU H H 1 8.15 0.02 . 1 . . . . . . . . 4072 1 215 . 1 1 48 48 LEU N N 15 118.6 0.20 . 1 . . . . . . . . 4072 1 216 . 1 1 48 48 LEU CA C 13 58.0 0.20 . 1 . . . . . . . . 4072 1 217 . 1 1 48 48 LEU HA H 1 4.26 0.02 . 1 . . . . . . . . 4072 1 218 . 1 1 48 48 LEU CB C 13 40.1 0.20 . 1 . . . . . . . . 4072 1 219 . 1 1 49 49 TYR H H 1 8.72 0.02 . 1 . . . . . . . . 4072 1 220 . 1 1 49 49 TYR N N 15 120.7 0.20 . 1 . . . . . . . . 4072 1 221 . 1 1 49 49 TYR CA C 13 62.0 0.20 . 1 . . . . . . . . 4072 1 222 . 1 1 49 49 TYR HA H 1 4.10 0.02 . 1 . . . . . . . . 4072 1 223 . 1 1 49 49 TYR CB C 13 38.0 0.20 . 1 . . . . . . . . 4072 1 224 . 1 1 49 49 TYR HD1 H 1 6.83 0.02 . 3 . . . . . . . . 4072 1 225 . 1 1 49 49 TYR CD1 C 13 131.8 0.20 . 3 . . . . . . . . 4072 1 226 . 1 1 49 49 TYR HE1 H 1 7.05 0.02 . 3 . . . . . . . . 4072 1 227 . 1 1 49 49 TYR CE1 C 13 116.9 0.20 . 3 . . . . . . . . 4072 1 228 . 1 1 50 50 ARG H H 1 8.92 0.02 . 1 . . . . . . . . 4072 1 229 . 1 1 50 50 ARG N N 15 117.5 0.20 . 1 . . . . . . . . 4072 1 230 . 1 1 50 50 ARG CA C 13 60.2 0.20 . 1 . . . . . . . . 4072 1 231 . 1 1 50 50 ARG HA H 1 3.60 0.02 . 1 . . . . . . . . 4072 1 232 . 1 1 50 50 ARG CB C 13 29.9 0.20 . 1 . . . . . . . . 4072 1 233 . 1 1 51 51 SER H H 1 7.96 0.02 . 1 . . . . . . . . 4072 1 234 . 1 1 51 51 SER N N 15 114.4 0.20 . 1 . . . . . . . . 4072 1 235 . 1 1 51 51 SER CA C 13 61.2 0.20 . 1 . . . . . . . . 4072 1 236 . 1 1 51 51 SER HA H 1 4.22 0.02 . 1 . . . . . . . . 4072 1 237 . 1 1 51 51 SER CB C 13 63.5 0.20 . 1 . . . . . . . . 4072 1 238 . 1 1 52 52 CYS H H 1 8.45 0.02 . 1 . . . . . . . . 4072 1 239 . 1 1 52 52 CYS N N 15 116.5 0.20 . 1 . . . . . . . . 4072 1 240 . 1 1 52 52 CYS CA C 13 64.1 0.20 . 1 . . . . . . . . 4072 1 241 . 1 1 52 52 CYS HA H 1 3.71 0.02 . 1 . . . . . . . . 4072 1 242 . 1 1 52 52 CYS CB C 13 27.3 0.20 . 1 . . . . . . . . 4072 1 243 . 1 1 53 53 LEU H H 1 8.81 0.02 . 1 . . . . . . . . 4072 1 244 . 1 1 53 53 LEU N N 15 123.3 0.20 . 1 . . . . . . . . 4072 1 245 . 1 1 53 53 LEU CA C 13 57.9 0.20 . 1 . . . . . . . . 4072 1 246 . 1 1 53 53 LEU HA H 1 3.82 0.02 . 1 . . . . . . . . 4072 1 247 . 1 1 53 53 LEU CB C 13 42.0 0.20 . 1 . . . . . . . . 4072 1 248 . 1 1 54 54 ALA H H 1 7.56 0.02 . 1 . . . . . . . . 4072 1 249 . 1 1 54 54 ALA N N 15 119.8 0.20 . 1 . . . . . . . . 4072 1 250 . 1 1 54 54 ALA CA C 13 54.3 0.20 . 1 . . . . . . . . 4072 1 251 . 1 1 54 54 ALA HA H 1 4.08 0.02 . 1 . . . . . . . . 4072 1 252 . 1 1 54 54 ALA CB C 13 17.9 0.20 . 1 . . . . . . . . 4072 1 253 . 1 1 55 55 ARG H H 1 7.16 0.02 . 1 . . . . . . . . 4072 1 254 . 1 1 55 55 ARG N N 15 116.2 0.20 . 1 . . . . . . . . 4072 1 255 . 1 1 55 55 ARG CA C 13 57.6 0.20 . 1 . . . . . . . . 4072 1 256 . 1 1 55 55 ARG HA H 1 4.16 0.02 . 1 . . . . . . . . 4072 1 257 . 1 1 55 55 ARG CB C 13 31.1 0.20 . 1 . . . . . . . . 4072 1 258 . 1 1 56 56 PHE H H 1 8.60 0.02 . 1 . . . . . . . . 4072 1 259 . 1 1 56 56 PHE N N 15 114.8 0.20 . 1 . . . . . . . . 4072 1 260 . 1 1 56 56 PHE CA C 13 55.8 0.20 . 1 . . . . . . . . 4072 1 261 . 1 1 56 56 PHE HA H 1 5.03 0.02 . 1 . . . . . . . . 4072 1 262 . 1 1 56 56 PHE CB C 13 39.9 0.20 . 1 . . . . . . . . 4072 1 263 . 1 1 56 56 PHE HD1 H 1 7.03 0.02 . 4 . . . . . . . . 4072 1 264 . 1 1 56 56 PHE HE1 H 1 7.21 0.02 . 4 . . . . . . . . 4072 1 265 . 1 1 56 56 PHE HZ H 1 7.26 0.02 . 4 . . . . . . . . 4072 1 266 . 1 1 57 57 GLY H H 1 7.92 0.02 . 1 . . . . . . . . 4072 1 267 . 1 1 57 57 GLY N N 15 108.0 0.20 . 1 . . . . . . . . 4072 1 268 . 1 1 57 57 GLY CA C 13 44.9 0.20 . 1 . . . . . . . . 4072 1 269 . 1 1 57 57 GLY HA2 H 1 3.95 0.02 . 2 . . . . . . . . 4072 1 270 . 1 1 57 57 GLY HA3 H 1 4.33 0.02 . 2 . . . . . . . . 4072 1 271 . 1 1 58 58 ASP H H 1 8.16 0.02 . 1 . . . . . . . . 4072 1 272 . 1 1 58 58 ASP N N 15 117.2 0.20 . 1 . . . . . . . . 4072 1 273 . 1 1 58 58 ASP CA C 13 53.7 0.20 . 1 . . . . . . . . 4072 1 274 . 1 1 58 58 ASP HA H 1 4.66 0.02 . 1 . . . . . . . . 4072 1 275 . 1 1 58 58 ASP CB C 13 42.1 0.20 . 1 . . . . . . . . 4072 1 276 . 1 1 59 59 ASP H H 1 8.46 0.02 . 1 . . . . . . . . 4072 1 277 . 1 1 59 59 ASP N N 15 121.3 0.20 . 1 . . . . . . . . 4072 1 278 . 1 1 59 59 ASP CA C 13 54.1 0.20 . 1 . . . . . . . . 4072 1 279 . 1 1 59 59 ASP HA H 1 4.65 0.02 . 1 . . . . . . . . 4072 1 280 . 1 1 59 59 ASP CB C 13 41.1 0.20 . 1 . . . . . . . . 4072 1 281 . 1 1 60 60 GLY H H 1 8.56 0.02 . 1 . . . . . . . . 4072 1 282 . 1 1 60 60 GLY N N 15 109.0 0.20 . 1 . . . . . . . . 4072 1 283 . 1 1 60 60 GLY CA C 13 45.5 0.20 . 1 . . . . . . . . 4072 1 284 . 1 1 60 60 GLY HA2 H 1 3.99 0.02 . 2 . . . . . . . . 4072 1 285 . 1 1 60 60 GLY HA3 H 1 3.99 0.02 . 2 . . . . . . . . 4072 1 286 . 1 1 61 61 GLU H H 1 8.24 0.02 . 1 . . . . . . . . 4072 1 287 . 1 1 61 61 GLU N N 15 119.8 0.20 . 1 . . . . . . . . 4072 1 288 . 1 1 61 61 GLU CA C 13 56.4 0.20 . 1 . . . . . . . . 4072 1 289 . 1 1 61 61 GLU HA H 1 4.37 0.02 . 1 . . . . . . . . 4072 1 290 . 1 1 61 61 GLU CB C 13 30.2 0.20 . 1 . . . . . . . . 4072 1 291 . 1 1 62 62 ASN H H 1 8.56 0.02 . 1 . . . . . . . . 4072 1 292 . 1 1 62 62 ASN N N 15 119.5 0.20 . 1 . . . . . . . . 4072 1 293 . 1 1 62 62 ASN CA C 13 53.2 0.20 . 1 . . . . . . . . 4072 1 294 . 1 1 62 62 ASN HA H 1 4.80 0.02 . 1 . . . . . . . . 4072 1 295 . 1 1 62 62 ASN CB C 13 39.0 0.20 . 1 . . . . . . . . 4072 1 296 . 1 1 62 62 ASN HD21 H 1 6.97 0.02 . 2 . . . . . . . . 4072 1 297 . 1 1 62 62 ASN HD22 H 1 7.68 0.02 . 2 . . . . . . . . 4072 1 298 . 1 1 62 62 ASN ND2 N 15 113.4 0.20 . 1 . . . . . . . . 4072 1 299 . 1 1 63 63 LEU H H 1 7.85 0.02 . 1 . . . . . . . . 4072 1 300 . 1 1 63 63 LEU N N 15 127.6 0.20 . 1 . . . . . . . . 4072 1 301 . 1 1 63 63 LEU CA C 13 56.5 0.20 . 1 . . . . . . . . 4072 1 302 . 1 1 63 63 LEU HA H 1 4.28 0.02 . 1 . . . . . . . . 4072 1 303 . 1 1 63 63 LEU CB C 13 43.4 0.20 . 1 . . . . . . . . 4072 1 stop_ save_