################################### # 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 25592 _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 5 3D_HCCCONH . . . 25592 1 6 3D_CCCONH . . . 25592 1 8 3D_HNCO . . . 25592 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 1 1 GLU HA H 1 4.08 . . . . . . A 1 GLU HA . 25592 1 2 . 1 1 1 1 GLU C C 13 172.86 . . . . . . A 1 GLU C . 25592 1 3 . 1 1 1 1 GLU CA C 13 55.29 . . . . . . A 1 GLU CA . 25592 1 4 . 1 1 1 1 GLU CB C 13 29.59 . . . . . . A 1 GLU CB . 25592 1 5 . 1 1 2 2 TYR H H 1 8.81 . . . . . . A 2 TYR HN . 25592 1 6 . 1 1 2 2 TYR HA H 1 4.59 . . . . . . A 2 TYR HA . 25592 1 7 . 1 1 2 2 TYR C C 13 175.74 . . . . . . A 2 TYR C . 25592 1 8 . 1 1 2 2 TYR CA C 13 58.56 . . . . . . A 2 TYR CA . 25592 1 9 . 1 1 2 2 TYR CB C 13 38.46 . . . . . . A 2 TYR CB . 25592 1 10 . 1 1 2 2 TYR N N 15 123.72 . . . . . . A 2 TYR N . 25592 1 11 . 1 1 3 3 ARG H H 1 8.26 . . . . . . A 3 ARG HN . 25592 1 12 . 1 1 3 3 ARG HA H 1 4.13 . . . . . . A 3 ARG HA . 25592 1 13 . 1 1 3 3 ARG C C 13 176.40 . . . . . . A 3 ARG C . 25592 1 14 . 1 1 3 3 ARG CA C 13 57.02 . . . . . . A 3 ARG CA . 25592 1 15 . 1 1 3 3 ARG CB C 13 30.43 . . . . . . A 3 ARG CB . 25592 1 16 . 1 1 3 3 ARG N N 15 122.48 . . . . . . A 3 ARG N . 25592 1 17 . 1 1 4 4 LYS H H 1 8.06 . . . . . . A 4 LYS HN . 25592 1 18 . 1 1 4 4 LYS HA H 1 4.18 . . . . . . A 4 LYS HA . 25592 1 19 . 1 1 4 4 LYS C C 13 177.14 . . . . . . A 4 LYS C . 25592 1 20 . 1 1 4 4 LYS CA C 13 57.28 . . . . . . A 4 LYS CA . 25592 1 21 . 1 1 4 4 LYS CB C 13 32.64 . . . . . . A 4 LYS CB . 25592 1 22 . 1 1 4 4 LYS N N 15 121.23 . . . . . . A 4 LYS N . 25592 1 23 . 1 1 5 5 ILE H H 1 7.85 . . . . . . A 5 ILE HN . 25592 1 24 . 1 1 5 5 ILE HA H 1 4.08 . . . . . . A 5 ILE HA . 25592 1 25 . 1 1 5 5 ILE C C 13 176.53 . . . . . . A 5 ILE C . 25592 1 26 . 1 1 5 5 ILE CA C 13 61.86 . . . . . . A 5 ILE CA . 25592 1 27 . 1 1 5 5 ILE CB C 13 38.42 . . . . . . A 5 ILE CB . 25592 1 28 . 1 1 5 5 ILE N N 15 120.66 . . . . . . A 5 ILE N . 25592 1 29 . 1 1 6 6 LEU H H 1 8.02 . . . . . . A 6 LEU HN . 25592 1 30 . 1 1 6 6 LEU HA H 1 4.23 . . . . . . A 6 LEU HA . 25592 1 31 . 1 1 6 6 LEU C C 13 177.70 . . . . . . A 6 LEU C . 25592 1 32 . 1 1 6 6 LEU CA C 13 55.95 . . . . . . A 6 LEU CA . 25592 1 33 . 1 1 6 6 LEU CB C 13 42.01 . . . . . . A 6 LEU CB . 25592 1 34 . 1 1 6 6 LEU N N 15 123.17 . . . . . . A 6 LEU N . 25592 1 35 . 1 1 7 7 ARG H H 1 8.03 . . . . . . A 7 ARG HN . 25592 1 36 . 1 1 7 7 ARG HA H 1 4.24 . . . . . . A 7 ARG HA . 25592 1 37 . 1 1 7 7 ARG C C 13 176.82 . . . . . . A 7 ARG C . 25592 1 38 . 1 1 7 7 ARG CA C 13 56.95 . . . . . . A 7 ARG CA . 25592 1 39 . 1 1 7 7 ARG CB C 13 30.28 . . . . . . A 7 ARG CB . 25592 1 40 . 1 1 7 7 ARG N N 15 120.10 . . . . . . A 7 ARG N . 25592 1 41 . 1 1 8 8 GLN H H 1 8.14 . . . . . . A 8 GLN HN . 25592 1 42 . 1 1 8 8 GLN HA H 1 4.22 . . . . . . A 8 GLN HA . 25592 1 43 . 1 1 8 8 GLN C C 13 176.72 . . . . . . A 8 GLN C . 25592 1 44 . 1 1 8 8 GLN CA C 13 56.64 . . . . . . A 8 GLN CA . 25592 1 45 . 1 1 8 8 GLN CB C 13 29.04 . . . . . . A 8 GLN CB . 25592 1 46 . 1 1 8 8 GLN N N 15 119.99 . . . . . . A 8 GLN N . 25592 1 47 . 1 1 9 9 ARG H H 1 8.32 . . . . . . A 9 ARG HN . 25592 1 48 . 1 1 9 9 ARG HA H 1 4.27 . . . . . . A 9 ARG HA . 25592 1 49 . 1 1 9 9 ARG C C 13 177.47 . . . . . . A 9 ARG C . 25592 1 50 . 1 1 9 9 ARG CA C 13 56.80 . . . . . . A 9 ARG CA . 25592 1 51 . 1 1 9 9 ARG CB C 13 30.64 . . . . . . A 9 ARG CB . 25592 1 52 . 1 1 9 9 ARG N N 15 120.75 . . . . . . A 9 ARG N . 25592 1 53 . 1 1 10 10 LYS H H 1 8.32 . . . . . . A 10 LYS HN . 25592 1 54 . 1 1 10 10 LYS HA H 1 4.12 . . . . . . A 10 LYS HA . 25592 1 55 . 1 1 10 10 LYS C C 13 177.60 . . . . . . A 10 LYS C . 25592 1 56 . 1 1 10 10 LYS CA C 13 58.74 . . . . . . A 10 LYS CA . 25592 1 57 . 1 1 10 10 LYS CB C 13 32.15 . . . . . . A 10 LYS CB . 25592 1 58 . 1 1 10 10 LYS N N 15 120.75 . . . . . . A 10 LYS N . 25592 1 59 . 1 1 11 11 ILE H H 1 8.10 . . . . . . A 11 ILE HN . 25592 1 60 . 1 1 11 11 ILE HA H 1 3.98 . . . . . . A 11 ILE HA . 25592 1 61 . 1 1 11 11 ILE C C 13 176.66 . . . . . . A 11 ILE C . 25592 1 62 . 1 1 11 11 ILE CA C 13 62.83 . . . . . . A 11 ILE CA . 25592 1 63 . 1 1 11 11 ILE CB C 13 37.86 . . . . . . A 11 ILE CB . 25592 1 64 . 1 1 11 11 ILE N N 15 118.62 . . . . . . A 11 ILE N . 25592 1 65 . 1 1 12 12 ASP H H 1 8.11 . . . . . . A 12 ASP HN . 25592 1 66 . 1 1 12 12 ASP HA H 1 4.33 . . . . . . A 12 ASP HA . 25592 1 67 . 1 1 12 12 ASP C C 13 177.28 . . . . . . A 12 ASP C . 25592 1 68 . 1 1 12 12 ASP CA C 13 56.43 . . . . . . A 12 ASP CA . 25592 1 69 . 1 1 12 12 ASP CB C 13 38.99 . . . . . . A 12 ASP CB . 25592 1 70 . 1 1 12 12 ASP N N 15 120.97 . . . . . . A 12 ASP N . 25592 1 71 . 1 1 13 13 ARG H H 1 7.90 . . . . . . A 13 ARG HN . 25592 1 72 . 1 1 13 13 ARG HA H 1 4.15 . . . . . . A 13 ARG HA . 25592 1 73 . 1 1 13 13 ARG C C 13 178.55 . . . . . . A 13 ARG C . 25592 1 74 . 1 1 13 13 ARG CA C 13 58.46 . . . . . . A 13 ARG CA . 25592 1 75 . 1 1 13 13 ARG CB C 13 29.78 . . . . . . A 13 ARG CB . 25592 1 76 . 1 1 13 13 ARG N N 15 118.58 . . . . . . A 13 ARG N . 25592 1 77 . 1 1 14 14 LEU H H 1 7.83 . . . . . . A 14 LEU H . 25592 1 78 . 1 1 14 14 LEU HA H 1 4.07 . . . . . . A 14 LEU HA . 25592 1 79 . 1 1 14 14 LEU C C 13 178.70 . . . . . . A 14 LEU C . 25592 1 80 . 1 1 14 14 LEU CA C 13 58.38 . . . . . . A 14 LEU CA . 25592 1 81 . 1 1 14 14 LEU N N 15 120.61 . . . . . . A 14 LEU N . 25592 1 82 . 1 1 15 15 ILE H H 1 8.19 . . . . . . A 15 ILE HN . 25592 1 83 . 1 1 15 15 ILE HA H 1 3.65 . . . . . . A 15 ILE HA . 25592 1 84 . 1 1 15 15 ILE C C 13 178.32 . . . . . . A 15 ILE C . 25592 1 85 . 1 1 15 15 ILE CA C 13 64.58 . . . . . . A 15 ILE CA . 25592 1 86 . 1 1 15 15 ILE CB C 13 37.00 . . . . . . A 15 ILE CB . 25592 1 87 . 1 1 15 15 ILE N N 15 118.02 . . . . . . A 15 ILE N . 25592 1 88 . 1 1 16 16 ASP H H 1 8.15 . . . . . . A 16 ASP HN . 25592 1 89 . 1 1 16 16 ASP HA H 1 4.34 . . . . . . A 16 ASP HA . 25592 1 90 . 1 1 16 16 ASP C C 13 177.90 . . . . . . A 16 ASP C . 25592 1 91 . 1 1 16 16 ASP CA C 13 56.79 . . . . . . A 16 ASP CA . 25592 1 92 . 1 1 16 16 ASP CB C 13 38.45 . . . . . . A 16 ASP CB . 25592 1 93 . 1 1 16 16 ASP N N 15 118.44 . . . . . . A 16 ASP N . 25592 1 94 . 1 1 17 17 ARG H H 1 7.83 . . . . . . A 17 ARG HN . 25592 1 95 . 1 1 17 17 ARG HA H 1 4.11 . . . . . . A 17 ARG HA . 25592 1 96 . 1 1 17 17 ARG C C 13 178.84 . . . . . . A 17 ARG C . 25592 1 97 . 1 1 17 17 ARG CA C 13 58.63 . . . . . . A 17 ARG CA . 25592 1 98 . 1 1 17 17 ARG N N 15 118.25 . . . . . . A 17 ARG N . 25592 1 99 . 1 1 18 18 LEU H H 1 8.02 . . . . . . A 18 LEU HN . 25592 1 100 . 1 1 18 18 LEU HA H 1 4.06 . . . . . . A 18 LEU HA . 25592 1 101 . 1 1 18 18 LEU CA C 13 58.13 . . . . . . A 18 LEU CA . 25592 1 102 . 1 1 18 18 LEU N N 15 119.92 . . . . . . A 18 LEU N . 25592 1 103 . 1 1 19 19 ILE H H 1 8.21 . . . . . . A 19 ILE HN . 25592 1 104 . 1 1 19 19 ILE HA H 1 3.67 . . . . . . A 19 ILE HA . 25592 1 105 . 1 1 19 19 ILE C C 13 177.74 . . . . . . A 19 ILE C . 25592 1 106 . 1 1 19 19 ILE CA C 13 64.69 . . . . . . A 19 ILE CA . 25592 1 107 . 1 1 19 19 ILE CB C 13 37.64 . . . . . . A 19 ILE CB . 25592 1 108 . 1 1 19 19 ILE N N 15 118.56 . . . . . . A 19 ILE N . 25592 1 109 . 1 1 20 20 GLU H H 1 8.07 . . . . . . A 20 GLU HN . 25592 1 110 . 1 1 20 20 GLU HA H 1 4.02 . . . . . . A 20 GLU HA . 25592 1 111 . 1 1 20 20 GLU C C 13 178.46 . . . . . . A 20 GLU C . 25592 1 112 . 1 1 20 20 GLU CA C 13 58.95 . . . . . . A 20 GLU CA . 25592 1 113 . 1 1 20 20 GLU CB C 13 28.31 . . . . . . A 20 GLU CB . 25592 1 114 . 1 1 20 20 GLU N N 15 118.85 . . . . . . A 20 GLU N . 25592 1 115 . 1 1 21 21 ARG H H 1 7.94 . . . . . . A 21 ARG HN . 25592 1 116 . 1 1 21 21 ARG HA H 1 4.19 . . . . . . A 21 ARG HA . 25592 1 117 . 1 1 21 21 ARG C C 13 178.45 . . . . . . A 21 ARG C . 25592 1 118 . 1 1 21 21 ARG CA C 13 57.82 . . . . . . A 21 ARG CA . 25592 1 119 . 1 1 21 21 ARG CB C 13 29.70 . . . . . . A 21 ARG CB . 25592 1 120 . 1 1 21 21 ARG N N 15 118.10 . . . . . . A 21 ARG N . 25592 1 121 . 1 1 22 22 ALA H H 1 8.05 . . . . . . A 22 ALA HN . 25592 1 122 . 1 1 22 22 ALA HA H 1 4.16 . . . . . . A 22 ALA HA . 25592 1 123 . 1 1 22 22 ALA C C 13 179.30 . . . . . . A 22 ALA C . 25592 1 124 . 1 1 22 22 ALA CB C 13 18.34 . . . . . . A 22 ALA CB . 25592 1 125 . 1 1 22 22 ALA N N 15 122.14 . . . . . . A 22 ALA N . 25592 1 126 . 1 1 23 23 GLU H H 1 8.13 . . . . . . A 23 GLU HN . 25592 1 127 . 1 1 23 23 GLU HA H 1 4.21 . . . . . . A 23 GLU HA . 25592 1 128 . 1 1 23 23 GLU C C 13 177.22 . . . . . . A 23 GLU C . 25592 1 129 . 1 1 23 23 GLU CA C 13 57.20 . . . . . . A 23 GLU CA . 25592 1 130 . 1 1 23 23 GLU CB C 13 28.36 . . . . . . A 23 GLU CB . 25592 1 131 . 1 1 23 23 GLU N N 15 116.17 . . . . . . A 23 GLU N . 25592 1 132 . 1 1 24 24 ASP H H 1 8.02 . . . . . . A 24 ASP HN . 25592 1 133 . 1 1 24 24 ASP HA H 1 4.75 . . . . . . A 24 ASP HA . 25592 1 134 . 1 1 24 24 ASP C C 13 176.33 . . . . . . A 24 ASP C . 25592 1 135 . 1 1 24 24 ASP CA C 13 53.98 . . . . . . A 24 ASP CA . 25592 1 136 . 1 1 24 24 ASP CB C 13 38.98 . . . . . . A 24 ASP CB . 25592 1 137 . 1 1 24 24 ASP N N 15 118.27 . . . . . . A 24 ASP N . 25592 1 138 . 1 1 25 25 SER H H 1 7.93 . . . . . . A 25 SER HN . 25592 1 139 . 1 1 25 25 SER HA H 1 4.44 . . . . . . A 25 SER HA . 25592 1 140 . 1 1 25 25 SER C C 13 175.36 . . . . . . A 25 SER C . 25592 1 141 . 1 1 25 25 SER CA C 13 59.11 . . . . . . A 25 SER CA . 25592 1 142 . 1 1 25 25 SER CB C 13 65.05 . . . . . . A 25 SER CB . 25592 1 143 . 1 1 25 25 SER N N 15 114.86 . . . . . . A 25 SER N . 25592 1 144 . 1 1 26 26 GLY H H 1 8.20 . . . . . . A 26 GLY HN . 25592 1 145 . 1 1 26 26 GLY HA2 H 1 4.00 . . . . . . A 26 GLY HA2 . 25592 1 146 . 1 1 26 26 GLY CA C 13 45.45 . . . . . . A 26 GLY CA . 25592 1 147 . 1 1 26 26 GLY N N 15 109.91 . . . . . . A 26 GLY N . 25592 1 148 . 1 1 27 27 ASN H H 1 8.17 . . . . . . A 27 ASN HN . 25592 1 149 . 1 1 27 27 ASN HA H 1 4.75 . . . . . . A 27 ASN HA . 25592 1 150 . 1 1 27 27 ASN C C 13 175.66 . . . . . . A 27 ASN C . 25592 1 151 . 1 1 27 27 ASN CA C 13 53.32 . . . . . . A 27 ASN CA . 25592 1 152 . 1 1 27 27 ASN CB C 13 38.51 . . . . . . A 27 ASN CB . 25592 1 153 . 1 1 27 27 ASN N N 15 118.40 . . . . . . A 27 ASN N . 25592 1 154 . 1 1 28 28 GLU H H 1 8.35 . . . . . . A 28 GLU HN . 25592 1 155 . 1 1 28 28 GLU HA H 1 4.40 . . . . . . A 28 GLU HA . 25592 1 156 . 1 1 28 28 GLU C C 13 176.60 . . . . . . A 28 GLU C . 25592 1 157 . 1 1 28 28 GLU CA C 13 56.57 . . . . . . A 28 GLU CA . 25592 1 158 . 1 1 28 28 GLU CB C 13 28.43 . . . . . . A 28 GLU CB . 25592 1 159 . 1 1 28 28 GLU N N 15 120.34 . . . . . . A 28 GLU N . 25592 1 160 . 1 1 29 29 SER H H 1 8.17 . . . . . . A 29 SER HN . 25592 1 161 . 1 1 29 29 SER HA H 1 4.46 . . . . . . A 29 SER HA . 25592 1 162 . 1 1 29 29 SER C C 13 175.51 . . . . . . A 29 SER C . 25592 1 163 . 1 1 29 29 SER CA C 13 59.07 . . . . . . A 29 SER CA . 25592 1 164 . 1 1 29 29 SER CB C 13 63.97 . . . . . . A 29 SER CB . 25592 1 165 . 1 1 29 29 SER N N 15 115.78 . . . . . . A 29 SER N . 25592 1 166 . 1 1 30 30 GLU H H 1 8.46 . . . . . . A 30 GLU HN . 25592 1 167 . 1 1 30 30 GLU HA H 1 4.13 . . . . . . A 30 GLU HA . 25592 1 168 . 1 1 30 30 GLU C C 13 178.14 . . . . . . A 30 GLU C . 25592 1 169 . 1 1 30 30 GLU CA C 13 58.38 . . . . . . A 30 GLU CA . 25592 1 170 . 1 1 30 30 GLU CB C 13 28.02 . . . . . . A 30 GLU CB . 25592 1 171 . 1 1 30 30 GLU N N 15 121.59 . . . . . . A 30 GLU N . 25592 1 172 . 1 1 31 31 GLY H H 1 8.49 . . . . . . A 31 GLY HN . 25592 1 173 . 1 1 31 31 GLY HA2 H 1 3.94 . . . . . . A 31 GLY HA2 . 25592 1 174 . 1 1 31 31 GLY C C 13 175.73 . . . . . . A 31 GLY C . 25592 1 175 . 1 1 31 31 GLY CA C 13 46.29 . . . . . . A 31 GLY CA . 25592 1 176 . 1 1 31 31 GLY N N 15 108.37 . . . . . . A 31 GLY N . 25592 1 177 . 1 1 32 32 GLU H H 1 8.08 . . . . . . A 32 GLU HN . 25592 1 178 . 1 1 32 32 GLU HA H 1 4.11 . . . . . . A 32 GLU HA . 25592 1 179 . 1 1 32 32 GLU C C 13 177.64 . . . . . . A 32 GLU C . 25592 1 180 . 1 1 32 32 GLU CA C 13 58.56 . . . . . . A 32 GLU CA . 25592 1 181 . 1 1 32 32 GLU CB C 13 28.39 . . . . . . A 32 GLU CB . 25592 1 182 . 1 1 32 32 GLU N N 15 120.89 . . . . . . A 32 GLU N . 25592 1 183 . 1 1 33 33 ILE H H 1 8.08 . . . . . . A 33 ILE HN . 25592 1 184 . 1 1 33 33 ILE HA H 1 3.77 . . . . . . A 33 ILE HA . 25592 1 185 . 1 1 33 33 ILE C C 13 177.72 . . . . . . A 33 ILE C . 25592 1 186 . 1 1 33 33 ILE CA C 13 64.15 . . . . . . A 33 ILE CA . 25592 1 187 . 1 1 33 33 ILE CB C 13 37.14 . . . . . . A 33 ILE CB . 25592 1 188 . 1 1 33 33 ILE N N 15 118.12 . . . . . . A 33 ILE N . 25592 1 189 . 1 1 34 34 SER H H 1 8.21 . . . . . . A 34 SER HN . 25592 1 190 . 1 1 34 34 SER C C 13 176.24 . . . . . . A 34 SER C . 25592 1 191 . 1 1 34 34 SER N N 15 115.20 . . . . . . A 34 SER N . 25592 1 192 . 1 1 35 35 ALA H H 1 7.80 . . . . . . A 35 ALA HN . 25592 1 193 . 1 1 35 35 ALA HA H 1 4.10 . . . . . . A 35 ALA HA . 25592 1 194 . 1 1 35 35 ALA C C 13 179.42 . . . . . . A 35 ALA C . 25592 1 195 . 1 1 35 35 ALA CA C 13 55.24 . . . . . . A 35 ALA CA . 25592 1 196 . 1 1 35 35 ALA CB C 13 17.91 . . . . . . A 35 ALA CB . 25592 1 197 . 1 1 35 35 ALA N N 15 122.98 . . . . . . A 35 ALA N . 25592 1 198 . 1 1 36 36 LEU H H 1 7.85 . . . . . . A 36 LEU HN . 25592 1 199 . 1 1 36 36 LEU HA H 1 4.00 . . . . . . A 36 LEU HA . 25592 1 200 . 1 1 36 36 LEU CA C 13 58.20 . . . . . . A 36 LEU CA . 25592 1 201 . 1 1 36 36 LEU N N 15 117.62 . . . . . . A 36 LEU N . 25592 1 202 . 1 1 37 37 VAL H H 1 8.17 . . . . . . A 37 VAL HN . 25592 1 203 . 1 1 37 37 VAL CA C 13 66.55 . . . . . . A 37 VAL CA . 25592 1 204 . 1 1 37 37 VAL CB C 13 31.11 . . . . . . A 37 VAL CB . 25592 1 205 . 1 1 37 37 VAL N N 15 118.40 . . . . . . A 37 VAL N . 25592 1 206 . 1 1 38 38 GLU H H 1 8.17 . . . . . . A 38 GLU HN . 25592 1 207 . 1 1 38 38 GLU HA H 1 4.00 . . . . . . A 38 GLU HA . 25592 1 208 . 1 1 38 38 GLU C C 13 178.47 . . . . . . A 38 GLU C . 25592 1 209 . 1 1 38 38 GLU CA C 13 59.16 . . . . . . A 38 GLU CA . 25592 1 210 . 1 1 38 38 GLU CB C 13 27.77 . . . . . . A 38 GLU CB . 25592 1 211 . 1 1 38 38 GLU N N 15 118.40 . . . . . . A 38 GLU N . 25592 1 212 . 1 1 39 39 LEU H H 1 8.23 . . . . . . A 39 LEU HN . 25592 1 213 . 1 1 39 39 LEU HA H 1 4.09 . . . . . . A 39 LEU HA . 25592 1 214 . 1 1 39 39 LEU C C 13 178.70 . . . . . . A 39 LEU C . 25592 1 215 . 1 1 39 39 LEU CA C 13 57.87 . . . . . . A 39 LEU CA . 25592 1 216 . 1 1 39 39 LEU CB C 13 41.58 . . . . . . A 39 LEU CB . 25592 1 217 . 1 1 39 39 LEU N N 15 119.34 . . . . . . A 39 LEU N . 25592 1 218 . 1 1 40 40 GLY H H 1 8.35 . . . . . . A 40 GLY HN . 25592 1 219 . 1 1 40 40 GLY HA2 H 1 3.69 . . . . . . A 40 GLY HA2 . 25592 1 220 . 1 1 40 40 GLY C C 13 175.74 . . . . . . A 40 GLY C . 25592 1 221 . 1 1 40 40 GLY CA C 13 47.22 . . . . . . A 40 GLY CA . 25592 1 222 . 1 1 40 40 GLY N N 15 105.82 . . . . . . A 40 GLY N . 25592 1 223 . 1 1 41 41 VAL H H 1 8.28 . . . . . . A 41 VAL HN . 25592 1 224 . 1 1 41 41 VAL HA H 1 3.77 . . . . . . A 41 VAL HA . 25592 1 225 . 1 1 41 41 VAL C C 13 178.65 . . . . . . A 41 VAL C . 25592 1 226 . 1 1 41 41 VAL CA C 13 65.81 . . . . . . A 41 VAL CA . 25592 1 227 . 1 1 41 41 VAL CB C 13 31.52 . . . . . . A 41 VAL CB . 25592 1 228 . 1 1 41 41 VAL N N 15 120.67 . . . . . . A 41 VAL N . 25592 1 229 . 1 1 42 42 GLU H H 1 8.14 . . . . . . A 42 GLU HN . 25592 1 230 . 1 1 42 42 GLU HA H 1 4.19 . . . . . . A 42 GLU HA . 25592 1 231 . 1 1 42 42 GLU C C 13 178.53 . . . . . . A 42 GLU C . 25592 1 232 . 1 1 42 42 GLU CA C 13 58.45 . . . . . . A 42 GLU CA . 25592 1 233 . 1 1 42 42 GLU CB C 13 28.29 . . . . . . A 42 GLU CB . 25592 1 234 . 1 1 42 42 GLU N N 15 119.22 . . . . . . A 42 GLU N . 25592 1 235 . 1 1 43 43 LEU H H 1 8.30 . . . . . . A 43 LEU HN . 25592 1 236 . 1 1 43 43 LEU HA H 1 4.22 . . . . . . A 43 LEU HA . 25592 1 237 . 1 1 43 43 LEU C C 13 178.50 . . . . . . A 43 LEU C . 25592 1 238 . 1 1 43 43 LEU CA C 13 56.50 . . . . . . A 43 LEU CA . 25592 1 239 . 1 1 43 43 LEU CB C 13 41.68 . . . . . . A 43 LEU CB . 25592 1 240 . 1 1 43 43 LEU N N 15 118.18 . . . . . . A 43 LEU N . 25592 1 241 . 1 1 44 44 GLY H H 1 7.95 . . . . . . A 44 GLY HN . 25592 1 242 . 1 1 44 44 GLY HA2 H 1 3.88 . . . . . . A 44 GLY HA2 . 25592 1 243 . 1 1 44 44 GLY C C 13 174.58 . . . . . . A 44 GLY C . 25592 1 244 . 1 1 44 44 GLY CA C 13 45.88 . . . . . . A 44 GLY CA . 25592 1 245 . 1 1 44 44 GLY N N 15 105.71 . . . . . . A 44 GLY N . 25592 1 246 . 1 1 45 45 HIS H H 1 8.02 . . . . . . A 45 HIS HN . 25592 1 247 . 1 1 45 45 HIS HA H 1 4.64 . . . . . . A 45 HIS HA . 25592 1 248 . 1 1 45 45 HIS C C 13 174.35 . . . . . . A 45 HIS C . 25592 1 249 . 1 1 45 45 HIS CA C 13 55.38 . . . . . . A 45 HIS CA . 25592 1 250 . 1 1 45 45 HIS CB C 13 28.41 . . . . . . A 45 HIS CB . 25592 1 251 . 1 1 45 45 HIS N N 15 116.81 . . . . . . A 45 HIS N . 25592 1 252 . 1 1 46 46 HIS H H 1 8.11 . . . . . . A 46 HIS HN . 25592 1 253 . 1 1 46 46 HIS HA H 1 4.64 . . . . . . A 46 HIS HA . 25592 1 254 . 1 1 46 46 HIS C C 13 173.42 . . . . . . A 46 HIS C . 25592 1 255 . 1 1 46 46 HIS CA C 13 55.23 . . . . . . A 46 HIS CA . 25592 1 256 . 1 1 46 46 HIS CB C 13 28.94 . . . . . . A 46 HIS CB . 25592 1 257 . 1 1 46 46 HIS N N 15 117.32 . . . . . . A 46 HIS N . 25592 1 258 . 1 1 47 47 ALA H H 1 8.10 . . . . . . A 47 ALA H . 25592 1 259 . 1 1 47 47 ALA HA H 1 4.31 . . . . . . A 47 ALA HA . 25592 1 260 . 1 1 47 47 ALA CA C 13 50.58 . . . . . . A 47 ALA CA . 25592 1 261 . 1 1 47 47 ALA N N 15 124.49 . . . . . . A 47 ALA N . 25592 1 262 . 1 1 48 48 PRO HA H 1 4.34 . . . . . . A 48 PRO HA . 25592 1 263 . 1 1 48 48 PRO CA C 13 63.52 . . . . . . A 48 PRO CA . 25592 1 264 . 1 1 48 48 PRO CB C 13 31.17 . . . . . . A 48 PRO CB . 25592 1 265 . 1 1 49 49 TRP H H 1 7.29 . . . . . . A 49 TRP HN . 25592 1 266 . 1 1 49 49 TRP HA H 1 4.68 . . . . . . A 49 TRP HA . 25592 1 267 . 1 1 49 49 TRP C C 13 175.67 . . . . . . A 49 TRP C . 25592 1 268 . 1 1 49 49 TRP CA C 13 56.53 . . . . . . A 49 TRP CA . 25592 1 269 . 1 1 49 49 TRP CB C 13 29.01 . . . . . . A 49 TRP CB . 25592 1 270 . 1 1 49 49 TRP N N 15 116.80 . . . . . . A 49 TRP N . 25592 1 271 . 1 1 50 50 ASP H H 1 8.00 . . . . . . A 50 ASP HN . 25592 1 272 . 1 1 50 50 ASP HA H 1 4.75 . . . . . . A 50 ASP HA . 25592 1 273 . 1 1 50 50 ASP C C 13 175.87 . . . . . . A 50 ASP C . 25592 1 274 . 1 1 50 50 ASP CA C 13 52.92 . . . . . . A 50 ASP CA . 25592 1 275 . 1 1 50 50 ASP CB C 13 38.98 . . . . . . A 50 ASP CB . 25592 1 276 . 1 1 50 50 ASP N N 15 120.09 . . . . . . A 50 ASP N . 25592 1 277 . 1 1 51 51 VAL H H 1 7.90 . . . . . . A 51 VAL HN . 25592 1 278 . 1 1 51 51 VAL HA H 1 4.03 . . . . . . A 51 VAL HA . 25592 1 279 . 1 1 51 51 VAL C C 13 175.95 . . . . . . A 51 VAL C . 25592 1 280 . 1 1 51 51 VAL CA C 13 62.81 . . . . . . A 51 VAL CA . 25592 1 281 . 1 1 51 51 VAL CB C 13 32.22 . . . . . . A 51 VAL CB . 25592 1 282 . 1 1 51 51 VAL N N 15 118.58 . . . . . . A 51 VAL N . 25592 1 283 . 1 1 52 52 ASP H H 1 8.22 . . . . . . A 52 ASP HN . 25592 1 284 . 1 1 52 52 ASP HA H 1 4.64 . . . . . . A 52 ASP HA . 25592 1 285 . 1 1 52 52 ASP C C 13 175.37 . . . . . . A 52 ASP C . 25592 1 286 . 1 1 52 52 ASP CA C 13 54.01 . . . . . . A 52 ASP CA . 25592 1 287 . 1 1 52 52 ASP CB C 13 38.98 . . . . . . A 52 ASP CB . 25592 1 288 . 1 1 52 52 ASP N N 15 119.82 . . . . . . A 52 ASP N . 25592 1 289 . 1 1 53 53 ASP H H 1 8.01 . . . . . . A 53 ASP HN . 25592 1 290 . 1 1 53 53 ASP HA H 1 4.72 . . . . . . A 53 ASP HA . 25592 1 291 . 1 1 53 53 ASP C C 13 174.74 . . . . . . A 53 ASP C . 25592 1 292 . 1 1 53 53 ASP CA C 13 53.25 . . . . . . A 53 ASP CA . 25592 1 293 . 1 1 53 53 ASP CB C 13 38.95 . . . . . . A 53 ASP CB . 25592 1 294 . 1 1 53 53 ASP N N 15 117.88 . . . . . . A 53 ASP N . 25592 1 295 . 1 1 54 54 LEU H H 1 7.62 . . . . . . A 54 LEU HN . 25592 1 296 . 1 1 54 54 LEU HA H 1 4.24 . . . . . . A 54 LEU HA . 25592 1 297 . 1 1 54 54 LEU CA C 13 55.65 . . . . . . A 54 LEU CA . 25592 1 298 . 1 1 54 54 LEU N N 15 122.92 . . . . . . A 54 LEU N . 25592 1 stop_ save_