################################### # 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 16133 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16133 1 3 '3D CBCA(CO)NH' . . . 16133 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 43 43 ASN CA C 13 54.826 . . 1 . . . . 43 ASN CA . 16133 1 2 . 1 1 43 43 ASN CB C 13 41.001 . . 1 . . . . 43 ASN CB . 16133 1 3 . 1 1 44 44 ASN H H 1 8.256 . . 1 . . . . 44 ASN HN . 16133 1 4 . 1 1 44 44 ASN N N 15 113.804 . . 1 . . . . 44 ASN N . 16133 1 5 . 1 1 49 49 ALA CB C 13 18.617 . . 1 . . . . 49 ALA CB . 16133 1 6 . 1 1 50 50 ASP H H 1 8.073 . . 1 . . . . 50 ASP HN . 16133 1 7 . 1 1 50 50 ASP CA C 13 57.081 . . 1 . . . . 50 ASP CA . 16133 1 8 . 1 1 50 50 ASP CB C 13 40.432 . . 1 . . . . 50 ASP CB . 16133 1 9 . 1 1 50 50 ASP N N 15 119.224 . . 1 . . . . 50 ASP N . 16133 1 10 . 1 1 51 51 ILE H H 1 8.150 . . 1 . . . . 51 ILE HN . 16133 1 11 . 1 1 51 51 ILE CA C 13 65.404 . . 1 . . . . 51 ILE CA . 16133 1 12 . 1 1 51 51 ILE CB C 13 38.315 . . 1 . . . . 51 ILE CB . 16133 1 13 . 1 1 51 51 ILE N N 15 121.637 . . 1 . . . . 51 ILE N . 16133 1 14 . 1 1 52 52 ASN H H 1 8.433 . . 1 . . . . 52 ASN HN . 16133 1 15 . 1 1 52 52 ASN CA C 13 56.278 . . 1 . . . . 52 ASN CA . 16133 1 16 . 1 1 52 52 ASN CB C 13 38.330 . . 1 . . . . 52 ASN CB . 16133 1 17 . 1 1 52 52 ASN N N 15 118.269 . . 1 . . . . 52 ASN N . 16133 1 18 . 1 1 53 53 ASN H H 1 8.725 . . 1 . . . . 53 ASN HN . 16133 1 19 . 1 1 53 53 ASN CA C 13 56.167 . . 1 . . . . 53 ASN CA . 16133 1 20 . 1 1 53 53 ASN CB C 13 38.378 . . 1 . . . . 53 ASN CB . 16133 1 21 . 1 1 53 53 ASN N N 15 119.413 . . 1 . . . . 53 ASN N . 16133 1 22 . 1 1 54 54 TYR H H 1 8.098 . . 1 . . . . 54 TYR HN . 16133 1 23 . 1 1 54 54 TYR CA C 13 61.367 . . 1 . . . . 54 TYR CA . 16133 1 24 . 1 1 54 54 TYR CB C 13 37.970 . . 1 . . . . 54 TYR CB . 16133 1 25 . 1 1 54 54 TYR N N 15 121.993 . . 1 . . . . 54 TYR N . 16133 1 26 . 1 1 55 55 ALA H H 1 8.565 . . 1 . . . . 55 ALA HN . 16133 1 27 . 1 1 55 55 ALA CA C 13 55.723 . . 1 . . . . 55 ALA CA . 16133 1 28 . 1 1 55 55 ALA CB C 13 18.100 . . 1 . . . . 55 ALA CB . 16133 1 29 . 1 1 55 55 ALA N N 15 121.231 . . 1 . . . . 55 ALA N . 16133 1 30 . 1 1 56 56 GLY H H 1 7.908 . . 1 . . . . 56 GLY HN . 16133 1 31 . 1 1 56 56 GLY CA C 13 47.147 . . 1 . . . . 56 GLY CA . 16133 1 32 . 1 1 56 56 GLY N N 15 103.515 . . 1 . . . . 56 GLY N . 16133 1 33 . 1 1 57 57 GLN H H 1 7.794 . . 1 . . . . 57 GLN HN . 16133 1 34 . 1 1 57 57 GLN CA C 13 59.173 . . 1 . . . . 57 GLN CA . 16133 1 35 . 1 1 57 57 GLN CB C 13 28.815 . . 1 . . . . 57 GLN CB . 16133 1 36 . 1 1 57 57 GLN N N 15 122.930 . . 1 . . . . 57 GLN N . 16133 1 37 . 1 1 58 58 ILE H H 1 8.051 . . 1 . . . . 58 ILE HN . 16133 1 38 . 1 1 58 58 ILE CA C 13 66.369 . . 1 . . . . 58 ILE CA . 16133 1 39 . 1 1 58 58 ILE CB C 13 37.789 . . 1 . . . . 58 ILE CB . 16133 1 40 . 1 1 58 58 ILE N N 15 121.397 . . 1 . . . . 58 ILE N . 16133 1 41 . 1 1 59 59 LYS H H 1 8.154 . . 1 . . . . 59 LYS HN . 16133 1 42 . 1 1 59 59 LYS CA C 13 61.290 . . 1 . . . . 59 LYS CA . 16133 1 43 . 1 1 59 59 LYS CB C 13 32.244 . . 1 . . . . 59 LYS CB . 16133 1 44 . 1 1 59 59 LYS N N 15 118.623 . . 1 . . . . 59 LYS N . 16133 1 45 . 1 1 60 60 SER H H 1 8.438 . . 1 . . . . 60 SER HN . 16133 1 46 . 1 1 60 60 SER CA C 13 61.833 . . 1 . . . . 60 SER CA . 16133 1 47 . 1 1 60 60 SER CB C 13 63.059 . . 1 . . . . 60 SER CB . 16133 1 48 . 1 1 60 60 SER N N 15 113.643 . . 1 . . . . 60 SER N . 16133 1 49 . 1 1 61 61 ALA H H 1 7.863 . . 1 . . . . 61 ALA HN . 16133 1 50 . 1 1 61 61 ALA CA C 13 55.339 . . 1 . . . . 61 ALA CA . 16133 1 51 . 1 1 61 61 ALA CB C 13 18.275 . . 1 . . . . 61 ALA CB . 16133 1 52 . 1 1 61 61 ALA N N 15 125.108 . . 1 . . . . 61 ALA N . 16133 1 53 . 1 1 62 62 ILE H H 1 7.919 . . 1 . . . . 62 ILE HN . 16133 1 54 . 1 1 62 62 ILE CA C 13 66.145 . . 1 . . . . 62 ILE CA . 16133 1 55 . 1 1 62 62 ILE CB C 13 38.271 . . 1 . . . . 62 ILE CB . 16133 1 56 . 1 1 62 62 ILE N N 15 118.678 . . 1 . . . . 62 ILE N . 16133 1 57 . 1 1 63 63 GLU H H 1 8.979 . . 1 . . . . 63 GLU HN . 16133 1 58 . 1 1 63 63 GLU CA C 13 60.246 . . 1 . . . . 63 GLU CA . 16133 1 59 . 1 1 63 63 GLU CB C 13 29.948 . . 1 . . . . 63 GLU CB . 16133 1 60 . 1 1 63 63 GLU N N 15 119.012 . . 1 . . . . 63 GLU N . 16133 1 61 . 1 1 64 64 SER H H 1 7.988 . . 1 . . . . 64 SER HN . 16133 1 62 . 1 1 64 64 SER CA C 13 61.679 . . 1 . . . . 64 SER CA . 16133 1 63 . 1 1 64 64 SER CB C 13 63.415 . . 1 . . . . 64 SER CB . 16133 1 64 . 1 1 64 64 SER N N 15 113.105 . . 1 . . . . 64 SER N . 16133 1 65 . 1 1 65 65 LYS H H 1 7.355 . . 1 . . . . 65 LYS HN . 16133 1 66 . 1 1 65 65 LYS CA C 13 53.111 . . 1 . . . . 65 LYS CA . 16133 1 67 . 1 1 65 65 LYS CB C 13 32.334 . . 1 . . . . 65 LYS CB . 16133 1 68 . 1 1 65 65 LYS N N 15 117.978 . . 1 . . . . 65 LYS N . 16133 1 69 . 1 1 66 66 PHE H H 1 7.716 . . 1 . . . . 66 PHE HN . 16133 1 70 . 1 1 66 66 PHE CA C 13 55.356 . . 1 . . . . 66 PHE CA . 16133 1 71 . 1 1 66 66 PHE CB C 13 38.672 . . 1 . . . . 66 PHE CB . 16133 1 72 . 1 1 66 66 PHE N N 15 122.737 . . 1 . . . . 66 PHE N . 16133 1 73 . 1 1 67 67 TYR H H 1 7.996 . . 1 . . . . 67 TYR HN . 16133 1 74 . 1 1 67 67 TYR CA C 13 59.665 . . 1 . . . . 67 TYR CA . 16133 1 75 . 1 1 67 67 TYR CB C 13 38.143 . . 1 . . . . 67 TYR CB . 16133 1 76 . 1 1 67 67 TYR N N 15 123.654 . . 1 . . . . 67 TYR N . 16133 1 77 . 1 1 68 68 ASP H H 1 8.564 . . 1 . . . . 68 ASP HN . 16133 1 78 . 1 1 68 68 ASP CB C 13 39.743 . . 1 . . . . 68 ASP CB . 16133 1 79 . 1 1 68 68 ASP N N 15 118.579 . . 1 . . . . 68 ASP N . 16133 1 80 . 1 1 69 69 ALA H H 1 7.950 . . 1 . . . . 69 ALA HN . 16133 1 81 . 1 1 69 69 ALA CA C 13 55.862 . . 1 . . . . 69 ALA CA . 16133 1 82 . 1 1 69 69 ALA CB C 13 18.202 . . 1 . . . . 69 ALA CB . 16133 1 83 . 1 1 69 69 ALA N N 15 123.996 . . 1 . . . . 69 ALA N . 16133 1 84 . 1 1 70 70 SER H H 1 8.455 . . 1 . . . . 70 SER HN . 16133 1 85 . 1 1 70 70 SER CA C 13 61.260 . . 1 . . . . 70 SER CA . 16133 1 86 . 1 1 70 70 SER CB C 13 62.648 . . 1 . . . . 70 SER CB . 16133 1 87 . 1 1 70 70 SER N N 15 110.998 . . 1 . . . . 70 SER N . 16133 1 88 . 1 1 71 71 SER H H 1 7.884 . . 1 . . . . 71 SER HN . 16133 1 89 . 1 1 71 71 SER CA C 13 60.805 . . 1 . . . . 71 SER CA . 16133 1 90 . 1 1 71 71 SER CB C 13 62.807 . . 1 . . . . 71 SER CB . 16133 1 91 . 1 1 71 71 SER N N 15 118.288 . . 1 . . . . 71 SER N . 16133 1 92 . 1 1 72 72 TYR H H 1 7.881 . . 1 . . . . 72 TYR HN . 16133 1 93 . 1 1 72 72 TYR CA C 13 56.949 . . 1 . . . . 72 TYR CA . 16133 1 94 . 1 1 72 72 TYR CB C 13 40.023 . . 1 . . . . 72 TYR CB . 16133 1 95 . 1 1 72 72 TYR N N 15 119.275 . . 1 . . . . 72 TYR N . 16133 1 96 . 1 1 73 73 ALA H H 1 6.999 . . 1 . . . . 73 ALA HN . 16133 1 97 . 1 1 73 73 ALA CA C 13 54.227 . . 1 . . . . 73 ALA CA . 16133 1 98 . 1 1 73 73 ALA CB C 13 18.562 . . 1 . . . . 73 ALA CB . 16133 1 99 . 1 1 73 73 ALA N N 15 121.442 . . 1 . . . . 73 ALA N . 16133 1 100 . 1 1 74 74 GLY H H 1 8.789 . . 1 . . . . 74 GLY HN . 16133 1 101 . 1 1 74 74 GLY CA C 13 45.507 . . 1 . . . . 74 GLY CA . 16133 1 102 . 1 1 74 74 GLY N N 15 112.396 . . 1 . . . . 74 GLY N . 16133 1 103 . 1 1 75 75 LYS H H 1 8.117 . . 1 . . . . 75 LYS HN . 16133 1 104 . 1 1 75 75 LYS CA C 13 54.831 . . 1 . . . . 75 LYS CA . 16133 1 105 . 1 1 75 75 LYS CB C 13 34.855 . . 1 . . . . 75 LYS CB . 16133 1 106 . 1 1 75 75 LYS N N 15 120.707 . . 1 . . . . 75 LYS N . 16133 1 107 . 1 1 76 76 THR H H 1 8.335 . . 1 . . . . 76 THR HN . 16133 1 108 . 1 1 76 76 THR CA C 13 60.960 . . 1 . . . . 76 THR CA . 16133 1 109 . 1 1 76 76 THR CB C 13 72.058 . . 1 . . . . 76 THR CB . 16133 1 110 . 1 1 76 76 THR N N 15 111.385 . . 1 . . . . 76 THR N . 16133 1 111 . 1 1 77 77 CYS H H 1 8.618 . . 1 . . . . 77 CYS HN . 16133 1 112 . 1 1 77 77 CYS CA C 13 57.029 . . 1 . . . . 77 CYS CA . 16133 1 113 . 1 1 77 77 CYS CB C 13 49.067 . . 1 . . . . 77 CYS CB . 16133 1 114 . 1 1 77 77 CYS N N 15 121.221 . . 1 . . . . 77 CYS N . 16133 1 115 . 1 1 78 78 THR H H 1 9.021 . . 1 . . . . 78 THR HN . 16133 1 116 . 1 1 78 78 THR CA C 13 62.653 . . 1 . . . . 78 THR CA . 16133 1 117 . 1 1 78 78 THR CB C 13 70.076 . . 1 . . . . 78 THR CB . 16133 1 118 . 1 1 78 78 THR N N 15 128.758 . . 1 . . . . 78 THR N . 16133 1 119 . 1 1 79 79 LEU H H 1 9.315 . . 1 . . . . 79 LEU HN . 16133 1 120 . 1 1 79 79 LEU CA C 13 53.168 . . 1 . . . . 79 LEU CA . 16133 1 121 . 1 1 79 79 LEU CB C 13 44.812 . . 1 . . . . 79 LEU CB . 16133 1 122 . 1 1 79 79 LEU N N 15 127.835 . . 1 . . . . 79 LEU N . 16133 1 123 . 1 1 80 80 ARG H H 1 9.254 . . 1 . . . . 80 ARG HN . 16133 1 124 . 1 1 80 80 ARG CA C 13 54.851 . . 1 . . . . 80 ARG CA . 16133 1 125 . 1 1 80 80 ARG CB C 13 30.218 . . 1 . . . . 80 ARG CB . 16133 1 126 . 1 1 80 80 ARG N N 15 123.155 . . 1 . . . . 80 ARG N . 16133 1 127 . 1 1 81 81 ILE H H 1 6.425 . . 1 . . . . 81 ILE HN . 16133 1 128 . 1 1 81 81 ILE CA C 13 60.223 . . 1 . . . . 81 ILE CA . 16133 1 129 . 1 1 81 81 ILE CB C 13 41.571 . . 1 . . . . 81 ILE CB . 16133 1 130 . 1 1 81 81 ILE N N 15 126.539 . . 1 . . . . 81 ILE N . 16133 1 131 . 1 1 82 82 LYS H H 1 8.011 . . 1 . . . . 82 LYS HN . 16133 1 132 . 1 1 82 82 LYS CA C 13 55.445 . . 1 . . . . 82 LYS CA . 16133 1 133 . 1 1 82 82 LYS CB C 13 35.381 . . 1 . . . . 82 LYS CB . 16133 1 134 . 1 1 82 82 LYS N N 15 121.903 . . 1 . . . . 82 LYS N . 16133 1 135 . 1 1 83 83 LEU H H 1 8.310 . . 1 . . . . 83 LEU HN . 16133 1 136 . 1 1 83 83 LEU CA C 13 53.441 . . 1 . . . . 83 LEU CA . 16133 1 137 . 1 1 83 83 LEU CB C 13 46.055 . . 1 . . . . 83 LEU CB . 16133 1 138 . 1 1 83 83 LEU N N 15 124.409 . . 1 . . . . 83 LEU N . 16133 1 139 . 1 1 84 84 ALA H H 1 9.175 . . 1 . . . . 84 ALA HN . 16133 1 140 . 1 1 84 84 ALA N N 15 126.471 . . 1 . . . . 84 ALA N . 16133 1 141 . 1 1 85 85 PRO CA C 13 65.000 . . 1 . . . . 85 PRO CA . 16133 1 142 . 1 1 85 85 PRO CB C 13 31.303 . . 1 . . . . 85 PRO CB . 16133 1 143 . 1 1 86 86 ASP H H 1 7.598 . . 1 . . . . 86 ASP HN . 16133 1 144 . 1 1 86 86 ASP CA C 13 52.737 . . 1 . . . . 86 ASP CA . 16133 1 145 . 1 1 86 86 ASP CB C 13 40.147 . . 1 . . . . 86 ASP CB . 16133 1 146 . 1 1 86 86 ASP N N 15 111.908 . . 1 . . . . 86 ASP N . 16133 1 147 . 1 1 87 87 GLY H H 1 8.535 . . 1 . . . . 87 GLY HN . 16133 1 148 . 1 1 87 87 GLY CA C 13 45.039 . . 1 . . . . 87 GLY CA . 16133 1 149 . 1 1 87 87 GLY N N 15 109.014 . . 1 . . . . 87 GLY N . 16133 1 150 . 1 1 88 88 MET H H 1 7.506 . . 1 . . . . 88 MET HN . 16133 1 151 . 1 1 88 88 MET CA C 13 56.731 . . 1 . . . . 88 MET CA . 16133 1 152 . 1 1 88 88 MET CB C 13 32.768 . . 1 . . . . 88 MET CB . 16133 1 153 . 1 1 88 88 MET N N 15 117.486 . . 1 . . . . 88 MET N . 16133 1 154 . 1 1 89 89 LEU H H 1 8.705 . . 1 . . . . 89 LEU HN . 16133 1 155 . 1 1 89 89 LEU CA C 13 55.505 . . 1 . . . . 89 LEU CA . 16133 1 156 . 1 1 89 89 LEU CB C 13 42.337 . . 1 . . . . 89 LEU CB . 16133 1 157 . 1 1 89 89 LEU N N 15 125.392 . . 1 . . . . 89 LEU N . 16133 1 158 . 1 1 90 90 LEU H H 1 9.064 . . 1 . . . . 90 LEU HN . 16133 1 159 . 1 1 90 90 LEU CA C 13 56.067 . . 1 . . . . 90 LEU CA . 16133 1 160 . 1 1 90 90 LEU CB C 13 42.680 . . 1 . . . . 90 LEU CB . 16133 1 161 . 1 1 90 90 LEU N N 15 128.912 . . 1 . . . . 90 LEU N . 16133 1 162 . 1 1 91 91 ASP H H 1 7.863 . . 1 . . . . 91 ASP HN . 16133 1 163 . 1 1 91 91 ASP CA C 13 53.942 . . 1 . . . . 91 ASP CA . 16133 1 164 . 1 1 91 91 ASP CB C 13 44.796 . . 1 . . . . 91 ASP CB . 16133 1 165 . 1 1 91 91 ASP N N 15 115.250 . . 1 . . . . 91 ASP N . 16133 1 166 . 1 1 92 92 ILE H H 1 8.056 . . 1 . . . . 92 ILE HN . 16133 1 167 . 1 1 92 92 ILE CA C 13 59.902 . . 1 . . . . 92 ILE CA . 16133 1 168 . 1 1 92 92 ILE CB C 13 40.510 . . 1 . . . . 92 ILE CB . 16133 1 169 . 1 1 92 92 ILE N N 15 119.401 . . 1 . . . . 92 ILE N . 16133 1 170 . 1 1 93 93 LYS H H 1 8.457 . . 1 . . . . 93 LYS HN . 16133 1 171 . 1 1 93 93 LYS N N 15 124.674 . . 1 . . . . 93 LYS N . 16133 1 172 . 1 1 94 94 PRO CA C 13 62.901 . . 1 . . . . 94 PRO CA . 16133 1 173 . 1 1 94 94 PRO CB C 13 31.996 . . 1 . . . . 94 PRO CB . 16133 1 174 . 1 1 95 95 GLU H H 1 9.407 . . 1 . . . . 95 GLU HN . 16133 1 175 . 1 1 95 95 GLU CA C 13 56.397 . . 1 . . . . 95 GLU CA . 16133 1 176 . 1 1 95 95 GLU CB C 13 31.854 . . 1 . . . . 95 GLU CB . 16133 1 177 . 1 1 95 95 GLU N N 15 123.941 . . 1 . . . . 95 GLU N . 16133 1 178 . 1 1 96 96 GLY H H 1 7.699 . . 1 . . . . 96 GLY HN . 16133 1 179 . 1 1 96 96 GLY CA C 13 45.312 . . 1 . . . . 96 GLY CA . 16133 1 180 . 1 1 96 96 GLY N N 15 107.036 . . 1 . . . . 96 GLY N . 16133 1 181 . 1 1 97 97 GLY H H 1 8.346 . . 1 . . . . 97 GLY HN . 16133 1 182 . 1 1 97 97 GLY CA C 13 44.080 . . 1 . . . . 97 GLY CA . 16133 1 183 . 1 1 97 97 GLY N N 15 106.913 . . 1 . . . . 97 GLY N . 16133 1 184 . 1 1 98 98 ASP H H 1 8.643 . . 1 . . . . 98 ASP HN . 16133 1 185 . 1 1 98 98 ASP N N 15 122.709 . . 1 . . . . 98 ASP N . 16133 1 186 . 1 1 99 99 PRO CA C 13 66.094 . . 1 . . . . 99 PRO CA . 16133 1 187 . 1 1 99 99 PRO CB C 13 32.399 . . 1 . . . . 99 PRO CB . 16133 1 188 . 1 1 100 100 ALA H H 1 8.003 . . 1 . . . . 100 ALA HN . 16133 1 189 . 1 1 100 100 ALA CA C 13 55.473 . . 1 . . . . 100 ALA CA . 16133 1 190 . 1 1 100 100 ALA CB C 13 18.439 . . 1 . . . . 100 ALA CB . 16133 1 191 . 1 1 100 100 ALA N N 15 120.954 . . 1 . . . . 100 ALA N . 16133 1 192 . 1 1 101 101 LEU H H 1 8.768 . . 1 . . . . 101 LEU HN . 16133 1 193 . 1 1 101 101 LEU CA C 13 57.635 . . 1 . . . . 101 LEU CA . 16133 1 194 . 1 1 101 101 LEU CB C 13 40.445 . . 1 . . . . 101 LEU CB . 16133 1 195 . 1 1 101 101 LEU N N 15 121.815 . . 1 . . . . 101 LEU N . 16133 1 196 . 1 1 102 102 CYS H H 1 9.095 . . 1 . . . . 102 CYS HN . 16133 1 197 . 1 1 102 102 CYS CA C 13 56.242 . . 1 . . . . 102 CYS CA . 16133 1 198 . 1 1 102 102 CYS CB C 13 37.504 . . 1 . . . . 102 CYS CB . 16133 1 199 . 1 1 102 102 CYS N N 15 115.098 . . 1 . . . . 102 CYS N . 16133 1 200 . 1 1 103 103 GLN H H 1 8.102 . . 1 . . . . 103 GLN HN . 16133 1 201 . 1 1 103 103 GLN CA C 13 59.148 . . 1 . . . . 103 GLN CA . 16133 1 202 . 1 1 103 103 GLN CB C 13 28.382 . . 1 . . . . 103 GLN CB . 16133 1 203 . 1 1 103 103 GLN N N 15 118.506 . . 1 . . . . 103 GLN N . 16133 1 204 . 1 1 104 104 ALA H H 1 7.695 . . 1 . . . . 104 ALA HN . 16133 1 205 . 1 1 104 104 ALA CA C 13 54.728 . . 1 . . . . 104 ALA CA . 16133 1 206 . 1 1 104 104 ALA CB C 13 18.822 . . 1 . . . . 104 ALA CB . 16133 1 207 . 1 1 104 104 ALA N N 15 123.443 . . 1 . . . . 104 ALA N . 16133 1 208 . 1 1 105 105 ALA H H 1 8.930 . . 1 . . . . 105 ALA HN . 16133 1 209 . 1 1 105 105 ALA CA C 13 54.559 . . 1 . . . . 105 ALA CA . 16133 1 210 . 1 1 105 105 ALA CB C 13 17.474 . . 1 . . . . 105 ALA CB . 16133 1 211 . 1 1 105 105 ALA N N 15 122.272 . . 1 . . . . 105 ALA N . 16133 1 212 . 1 1 106 106 LEU H H 1 8.049 . . 1 . . . . 106 LEU HN . 16133 1 213 . 1 1 106 106 LEU CA C 13 58.702 . . 1 . . . . 106 LEU CA . 16133 1 214 . 1 1 106 106 LEU CB C 13 42.260 . . 1 . . . . 106 LEU CB . 16133 1 215 . 1 1 106 106 LEU N N 15 118.779 . . 1 . . . . 106 LEU N . 16133 1 216 . 1 1 107 107 ALA H H 1 7.231 . . 1 . . . . 107 ALA HN . 16133 1 217 . 1 1 107 107 ALA CA C 13 54.900 . . 1 . . . . 107 ALA CA . 16133 1 218 . 1 1 107 107 ALA CB C 13 17.883 . . 1 . . . . 107 ALA CB . 16133 1 219 . 1 1 107 107 ALA N N 15 119.297 . . 1 . . . . 107 ALA N . 16133 1 220 . 1 1 108 108 ALA H H 1 7.330 . . 1 . . . . 108 ALA HN . 16133 1 221 . 1 1 108 108 ALA CA C 13 54.671 . . 1 . . . . 108 ALA CA . 16133 1 222 . 1 1 108 108 ALA CB C 13 18.879 . . 1 . . . . 108 ALA CB . 16133 1 223 . 1 1 108 108 ALA N N 15 119.869 . . 1 . . . . 108 ALA N . 16133 1 224 . 1 1 109 109 ALA H H 1 8.404 . . 1 . . . . 109 ALA HN . 16133 1 225 . 1 1 109 109 ALA CA C 13 55.237 . . 1 . . . . 109 ALA CA . 16133 1 226 . 1 1 109 109 ALA CB C 13 18.443 . . 1 . . . . 109 ALA CB . 16133 1 227 . 1 1 109 109 ALA N N 15 118.552 . . 1 . . . . 109 ALA N . 16133 1 228 . 1 1 110 110 LYS H H 1 7.364 . . 1 . . . . 110 LYS HN . 16133 1 229 . 1 1 110 110 LYS CA C 13 58.710 . . 1 . . . . 110 LYS CA . 16133 1 230 . 1 1 110 110 LYS CB C 13 32.617 . . 1 . . . . 110 LYS CB . 16133 1 231 . 1 1 110 110 LYS N N 15 113.674 . . 1 . . . . 110 LYS N . 16133 1 232 . 1 1 111 111 LEU H H 1 7.242 . . 1 . . . . 111 LEU HN . 16133 1 233 . 1 1 111 111 LEU CA C 13 54.502 . . 1 . . . . 111 LEU CA . 16133 1 234 . 1 1 111 111 LEU CB C 13 43.769 . . 1 . . . . 111 LEU CB . 16133 1 235 . 1 1 111 111 LEU N N 15 117.014 . . 1 . . . . 111 LEU N . 16133 1 236 . 1 1 112 112 ALA H H 1 7.206 . . 1 . . . . 112 ALA HN . 16133 1 237 . 1 1 112 112 ALA CA C 13 52.318 . . 1 . . . . 112 ALA CA . 16133 1 238 . 1 1 112 112 ALA CB C 13 20.454 . . 1 . . . . 112 ALA CB . 16133 1 239 . 1 1 112 112 ALA N N 15 121.712 . . 1 . . . . 112 ALA N . 16133 1 240 . 1 1 113 113 LYS H H 1 8.574 . . 1 . . . . 113 LYS HN . 16133 1 241 . 1 1 113 113 LYS CA C 13 54.547 . . 1 . . . . 113 LYS CA . 16133 1 242 . 1 1 113 113 LYS CB C 13 31.678 . . 1 . . . . 113 LYS CB . 16133 1 243 . 1 1 113 113 LYS N N 15 123.382 . . 1 . . . . 113 LYS N . 16133 1 244 . 1 1 114 114 ILE H H 1 8.580 . . 1 . . . . 114 ILE HN . 16133 1 245 . 1 1 114 114 ILE N N 15 129.542 . . 1 . . . . 114 ILE N . 16133 1 246 . 1 1 115 115 PRO CA C 13 62.135 . . 1 . . . . 115 PRO CA . 16133 1 247 . 1 1 115 115 PRO CB C 13 32.044 . . 1 . . . . 115 PRO CB . 16133 1 248 . 1 1 116 116 LYS H H 1 8.471 . . 1 . . . . 116 LYS HN . 16133 1 249 . 1 1 116 116 LYS N N 15 122.966 . . 1 . . . . 116 LYS N . 16133 1 250 . 1 1 118 118 PRO CA C 13 63.902 . . 1 . . . . 118 PRO CA . 16133 1 251 . 1 1 118 118 PRO CB C 13 32.179 . . 1 . . . . 118 PRO CB . 16133 1 252 . 1 1 119 119 SER H H 1 6.874 . . 1 . . . . 119 SER HN . 16133 1 253 . 1 1 119 119 SER N N 15 108.792 . . 1 . . . . 119 SER N . 16133 1 254 . 1 1 120 120 GLN CA C 13 56.931 . . 1 . . . . 120 GLN CA . 16133 1 255 . 1 1 120 120 GLN CB C 13 29.640 . . 1 . . . . 120 GLN CB . 16133 1 256 . 1 1 121 121 ALA H H 1 5.668 . . 1 . . . . 121 ALA HN . 16133 1 257 . 1 1 121 121 ALA CA C 13 55.170 . . 1 . . . . 121 ALA CA . 16133 1 258 . 1 1 121 121 ALA CB C 13 18.304 . . 1 . . . . 121 ALA CB . 16133 1 259 . 1 1 121 121 ALA N N 15 120.285 . . 1 . . . . 121 ALA N . 16133 1 260 . 1 1 122 122 VAL H H 1 12.585 . . 1 . . . . 122 VAL HN . 16133 1 261 . 1 1 122 122 VAL CA C 13 66.357 . . 1 . . . . 122 VAL CA . 16133 1 262 . 1 1 122 122 VAL CB C 13 31.950 . . 1 . . . . 122 VAL CB . 16133 1 263 . 1 1 122 122 VAL N N 15 116.579 . . 1 . . . . 122 VAL N . 16133 1 264 . 1 1 123 123 TYR H H 1 4.156 . . 1 . . . . 123 TYR HN . 16133 1 265 . 1 1 123 123 TYR CA C 13 61.675 . . 1 . . . . 123 TYR CA . 16133 1 266 . 1 1 123 123 TYR N N 15 121.283 . . 1 . . . . 123 TYR N . 16133 1 267 . 1 1 124 124 GLU H H 1 8.220 . . 1 . . . . 124 GLU HN . 16133 1 268 . 1 1 124 124 GLU CA C 13 59.256 . . 1 . . . . 124 GLU CA . 16133 1 269 . 1 1 124 124 GLU CB C 13 29.256 . . 1 . . . . 124 GLU CB . 16133 1 270 . 1 1 124 124 GLU N N 15 114.658 . . 1 . . . . 124 GLU N . 16133 1 271 . 1 1 125 125 VAL H H 1 7.064 . . 1 . . . . 125 VAL HN . 16133 1 272 . 1 1 125 125 VAL CA C 13 65.382 . . 1 . . . . 125 VAL CA . 16133 1 273 . 1 1 125 125 VAL CB C 13 32.050 . . 1 . . . . 125 VAL CB . 16133 1 274 . 1 1 125 125 VAL N N 15 116.438 . . 1 . . . . 125 VAL N . 16133 1 275 . 1 1 126 126 PHE H H 1 7.575 . . 1 . . . . 126 PHE HN . 16133 1 276 . 1 1 126 126 PHE CA C 13 60.735 . . 1 . . . . 126 PHE CA . 16133 1 277 . 1 1 126 126 PHE CB C 13 39.625 . . 1 . . . . 126 PHE CB . 16133 1 278 . 1 1 126 126 PHE N N 15 116.128 . . 1 . . . . 126 PHE N . 16133 1 279 . 1 1 127 127 LYS H H 1 7.543 . . 1 . . . . 127 LYS HN . 16133 1 280 . 1 1 127 127 LYS CA C 13 59.089 . . 1 . . . . 127 LYS CA . 16133 1 281 . 1 1 127 127 LYS CB C 13 31.590 . . 1 . . . . 127 LYS CB . 16133 1 282 . 1 1 127 127 LYS N N 15 117.760 . . 1 . . . . 127 LYS N . 16133 1 283 . 1 1 128 128 ASN H H 1 7.392 . . 1 . . . . 128 ASN HN . 16133 1 284 . 1 1 128 128 ASN CA C 13 53.241 . . 1 . . . . 128 ASN CA . 16133 1 285 . 1 1 128 128 ASN N N 15 115.622 . . 1 . . . . 128 ASN N . 16133 1 286 . 1 1 129 129 ALA H H 1 8.482 . . 1 . . . . 129 ALA HN . 16133 1 287 . 1 1 129 129 ALA N N 15 125.962 . . 1 . . . . 129 ALA N . 16133 1 288 . 1 1 130 130 PRO CA C 13 61.246 . . 1 . . . . 130 PRO CA . 16133 1 289 . 1 1 130 130 PRO CB C 13 31.637 . . 1 . . . . 130 PRO CB . 16133 1 290 . 1 1 131 131 LEU H H 1 9.212 . . 1 . . . . 131 LEU HN . 16133 1 291 . 1 1 131 131 LEU CA C 13 54.250 . . 1 . . . . 131 LEU CA . 16133 1 292 . 1 1 131 131 LEU CB C 13 46.186 . . 1 . . . . 131 LEU CB . 16133 1 293 . 1 1 131 131 LEU N N 15 122.960 . . 1 . . . . 131 LEU N . 16133 1 294 . 1 1 132 132 ASP H H 1 8.698 . . 1 . . . . 132 ASP HN . 16133 1 295 . 1 1 132 132 ASP CA C 13 53.985 . . 1 . . . . 132 ASP CA . 16133 1 296 . 1 1 132 132 ASP CB C 13 41.545 . . 1 . . . . 132 ASP CB . 16133 1 297 . 1 1 132 132 ASP N N 15 125.372 . . 1 . . . . 132 ASP N . 16133 1 298 . 1 1 133 133 PHE H H 1 9.279 . . 1 . . . . 133 PHE HN . 16133 1 299 . 1 1 133 133 PHE N N 15 125.112 . . 1 . . . . 133 PHE N . 16133 1 stop_ save_