################################### # 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 17837 _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' . . . 17837 1 2 '3D CBCA(CO)NH' . . . 17837 1 3 '3D HNCACB' . . . 17837 1 4 '3D C(CO)NH' . . . 17837 1 5 '3D HNCO' . . . 17837 1 6 '3D HBHA(CO)NH' . . . 17837 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 15 15 ARG H H 1 9.308 0.030 . 1 . . . . 15 ARG H . 17837 1 2 . 1 1 15 15 ARG N N 15 123.347 0.300 . 1 . . . . 15 ARG N . 17837 1 3 . 1 1 16 16 ASN H H 1 8.259 0.030 . 1 . . . . 16 ASN H . 17837 1 4 . 1 1 16 16 ASN N N 15 109.230 0.300 . 1 . . . . 16 ASN N . 17837 1 5 . 1 1 18 18 GLY H H 1 8.555 0.030 . 1 . . . . 18 GLY H . 17837 1 6 . 1 1 18 18 GLY N N 15 115.038 0.300 . 1 . . . . 18 GLY N . 17837 1 7 . 1 1 19 19 SER H H 1 8.022 0.030 . 1 . . . . 19 SER H . 17837 1 8 . 1 1 19 19 SER CA C 13 56.930 0.300 . 1 . . . . 19 SER CA . 17837 1 9 . 1 1 19 19 SER CB C 13 66.014 0.300 . 1 . . . . 19 SER CB . 17837 1 10 . 1 1 19 19 SER N N 15 112.032 0.300 . 1 . . . . 19 SER N . 17837 1 11 . 1 1 20 20 PHE H H 1 8.778 0.030 . 1 . . . . 20 PHE H . 17837 1 12 . 1 1 20 20 PHE C C 13 175.698 0.300 . 1 . . . . 20 PHE C . 17837 1 13 . 1 1 20 20 PHE CA C 13 55.475 0.300 . 1 . . . . 20 PHE CA . 17837 1 14 . 1 1 20 20 PHE CB C 13 41.899 0.300 . 1 . . . . 20 PHE CB . 17837 1 15 . 1 1 20 20 PHE N N 15 120.566 0.300 . 1 . . . . 20 PHE N . 17837 1 16 . 1 1 21 21 ASP H H 1 8.885 0.030 . 1 . . . . 21 ASP H . 17837 1 17 . 1 1 21 21 ASP N N 15 122.880 0.300 . 1 . . . . 21 ASP N . 17837 1 18 . 1 1 22 22 ASN H H 1 8.485 0.030 . 1 . . . . 22 ASN H . 17837 1 19 . 1 1 22 22 ASN CA C 13 54.963 0.300 . 1 . . . . 22 ASN CA . 17837 1 20 . 1 1 22 22 ASN CB C 13 41.501 0.300 . 1 . . . . 22 ASN CB . 17837 1 21 . 1 1 22 22 ASN N N 15 122.118 0.300 . 1 . . . . 22 ASN N . 17837 1 22 . 1 1 24 24 ASP H H 1 7.510 0.030 . 1 . . . . 24 ASP H . 17837 1 23 . 1 1 24 24 ASP N N 15 122.185 0.300 . 1 . . . . 24 ASP N . 17837 1 24 . 1 1 25 25 GLU H H 1 9.015 0.030 . 1 . . . . 25 GLU H . 17837 1 25 . 1 1 25 25 GLU N N 15 125.006 0.300 . 1 . . . . 25 GLU N . 17837 1 26 . 1 1 26 26 ASN H H 1 8.699 0.030 . 1 . . . . 26 ASN H . 17837 1 27 . 1 1 26 26 ASN N N 15 115.852 0.300 . 1 . . . . 26 ASN N . 17837 1 28 . 1 1 27 27 VAL H H 1 7.327 0.030 . 1 . . . . 27 VAL H . 17837 1 29 . 1 1 27 27 VAL N N 15 118.843 0.300 . 1 . . . . 27 VAL N . 17837 1 30 . 1 1 28 28 GLY H H 1 8.804 0.030 . 1 . . . . 28 GLY H . 17837 1 31 . 1 1 28 28 GLY N N 15 112.418 0.300 . 1 . . . . 28 GLY N . 17837 1 32 . 1 1 29 29 SER H H 1 10.402 0.030 . 1 . . . . 29 SER H . 17837 1 33 . 1 1 29 29 SER CA C 13 57.644 0.300 . 1 . . . . 29 SER CA . 17837 1 34 . 1 1 29 29 SER CB C 13 64.837 0.300 . 1 . . . . 29 SER CB . 17837 1 35 . 1 1 29 29 SER N N 15 120.916 0.300 . 1 . . . . 29 SER N . 17837 1 36 . 1 1 30 30 GLY H H 1 9.502 0.030 . 1 . . . . 30 GLY H . 17837 1 37 . 1 1 30 30 GLY N N 15 112.775 0.300 . 1 . . . . 30 GLY N . 17837 1 38 . 1 1 31 31 MET H H 1 8.689 0.030 . 1 . . . . 31 MET H . 17837 1 39 . 1 1 31 31 MET N N 15 125.417 0.300 . 1 . . . . 31 MET N . 17837 1 40 . 1 1 32 32 VAL H H 1 8.874 0.030 . 1 . . . . 32 VAL H . 17837 1 41 . 1 1 32 32 VAL N N 15 120.212 0.300 . 1 . . . . 32 VAL N . 17837 1 42 . 1 1 33 33 GLY H H 1 8.375 0.030 . 1 . . . . 33 GLY H . 17837 1 43 . 1 1 33 33 GLY N N 15 108.623 0.300 . 1 . . . . 33 GLY N . 17837 1 44 . 1 1 34 34 ALA H H 1 8.393 0.030 . 1 . . . . 34 ALA H . 17837 1 45 . 1 1 34 34 ALA N N 15 123.601 0.300 . 1 . . . . 34 ALA N . 17837 1 46 . 1 1 35 35 PRO C C 13 177.963 0.300 . 1 . . . . 35 PRO C . 17837 1 47 . 1 1 35 35 PRO CA C 13 64.697 0.300 . 1 . . . . 35 PRO CA . 17837 1 48 . 1 1 35 35 PRO CB C 13 31.758 0.300 . 1 . . . . 35 PRO CB . 17837 1 49 . 1 1 36 36 ALA H H 1 8.421 0.030 . 1 . . . . 36 ALA H . 17837 1 50 . 1 1 36 36 ALA CA C 13 53.836 0.300 . 1 . . . . 36 ALA CA . 17837 1 51 . 1 1 36 36 ALA CB C 13 18.488 0.300 . 1 . . . . 36 ALA CB . 17837 1 52 . 1 1 36 36 ALA N N 15 118.723 0.300 . 1 . . . . 36 ALA N . 17837 1 53 . 1 1 37 37 CYS H H 1 7.612 0.030 . 1 . . . . 37 CYS H . 17837 1 54 . 1 1 37 37 CYS CA C 13 58.074 0.300 . 1 . . . . 37 CYS CA . 17837 1 55 . 1 1 37 37 CYS CB C 13 29.172 0.300 . 1 . . . . 37 CYS CB . 17837 1 56 . 1 1 37 37 CYS N N 15 112.779 0.300 . 1 . . . . 37 CYS N . 17837 1 57 . 1 1 38 38 GLY H H 1 8.092 0.030 . 1 . . . . 38 GLY H . 17837 1 58 . 1 1 38 38 GLY CA C 13 45.708 0.300 . 1 . . . . 38 GLY CA . 17837 1 59 . 1 1 38 38 GLY N N 15 109.425 0.300 . 1 . . . . 38 GLY N . 17837 1 60 . 1 1 41 41 MET H H 1 8.866 0.030 . 1 . . . . 41 MET H . 17837 1 61 . 1 1 41 41 MET N N 15 126.505 0.300 . 1 . . . . 41 MET N . 17837 1 62 . 1 1 43 43 LEU H H 1 8.971 0.030 . 1 . . . . 43 LEU H . 17837 1 63 . 1 1 43 43 LEU N N 15 126.606 0.300 . 1 . . . . 43 LEU N . 17837 1 64 . 1 1 44 44 GLN H H 1 9.359 0.030 . 1 . . . . 44 GLN H . 17837 1 65 . 1 1 44 44 GLN N N 15 120.574 0.300 . 1 . . . . 44 GLN N . 17837 1 66 . 1 1 45 45 ILE H H 1 9.226 0.030 . 1 . . . . 45 ILE H . 17837 1 67 . 1 1 45 45 ILE N N 15 113.049 0.300 . 1 . . . . 45 ILE N . 17837 1 68 . 1 1 46 46 LYS H H 1 8.285 0.030 . 1 . . . . 46 LYS H . 17837 1 69 . 1 1 46 46 LYS N N 15 123.792 0.300 . 1 . . . . 46 LYS N . 17837 1 70 . 1 1 47 47 VAL H H 1 8.502 0.030 . 1 . . . . 47 VAL H . 17837 1 71 . 1 1 47 47 VAL N N 15 128.517 0.300 . 1 . . . . 47 VAL N . 17837 1 72 . 1 1 48 48 ASN H H 1 8.917 0.030 . 1 . . . . 48 ASN H . 17837 1 73 . 1 1 48 48 ASN N N 15 126.343 0.300 . 1 . . . . 48 ASN N . 17837 1 74 . 1 1 49 49 ASP H H 1 8.394 0.030 . 1 . . . . 49 ASP H . 17837 1 75 . 1 1 49 49 ASP N N 15 116.903 0.300 . 1 . . . . 49 ASP N . 17837 1 76 . 1 1 50 50 GLU H H 1 7.803 0.030 . 1 . . . . 50 GLU H . 17837 1 77 . 1 1 50 50 GLU CA C 13 56.016 0.300 . 1 . . . . 50 GLU CA . 17837 1 78 . 1 1 50 50 GLU CB C 13 29.951 0.300 . 1 . . . . 50 GLU CB . 17837 1 79 . 1 1 50 50 GLU CG C 13 36.833 0.300 . 1 . . . . 50 GLU CG . 17837 1 80 . 1 1 50 50 GLU N N 15 117.824 0.300 . 1 . . . . 50 GLU N . 17837 1 81 . 1 1 51 51 GLY H H 1 8.053 0.030 . 1 . . . . 51 GLY H . 17837 1 82 . 1 1 51 51 GLY CA C 13 45.710 0.300 . 1 . . . . 51 GLY CA . 17837 1 83 . 1 1 51 51 GLY N N 15 107.788 0.300 . 1 . . . . 51 GLY N . 17837 1 84 . 1 1 52 52 ILE H H 1 7.517 0.030 . 1 . . . . 52 ILE H . 17837 1 85 . 1 1 52 52 ILE CA C 13 57.786 0.300 . 1 . . . . 52 ILE CA . 17837 1 86 . 1 1 52 52 ILE CB C 13 37.723 0.300 . 1 . . . . 52 ILE CB . 17837 1 87 . 1 1 52 52 ILE N N 15 119.922 0.300 . 1 . . . . 52 ILE N . 17837 1 88 . 1 1 53 53 ILE H H 1 8.705 0.030 . 1 . . . . 53 ILE H . 17837 1 89 . 1 1 53 53 ILE N N 15 127.101 0.300 . 1 . . . . 53 ILE N . 17837 1 90 . 1 1 54 54 GLU H H 1 8.903 0.030 . 1 . . . . 54 GLU H . 17837 1 91 . 1 1 54 54 GLU N N 15 130.296 0.300 . 1 . . . . 54 GLU N . 17837 1 92 . 1 1 55 55 ASP H H 1 8.015 0.030 . 1 . . . . 55 ASP H . 17837 1 93 . 1 1 55 55 ASP N N 15 115.918 0.300 . 1 . . . . 55 ASP N . 17837 1 94 . 1 1 56 56 ALA H H 1 8.941 0.030 . 1 . . . . 56 ALA H . 17837 1 95 . 1 1 56 56 ALA N N 15 123.762 0.300 . 1 . . . . 56 ALA N . 17837 1 96 . 1 1 57 57 ARG H H 1 8.826 0.030 . 1 . . . . 57 ARG H . 17837 1 97 . 1 1 57 57 ARG N N 15 117.760 0.300 . 1 . . . . 57 ARG N . 17837 1 98 . 1 1 58 58 PHE H H 1 8.481 0.030 . 1 . . . . 58 PHE H . 17837 1 99 . 1 1 58 58 PHE N N 15 116.790 0.300 . 1 . . . . 58 PHE N . 17837 1 100 . 1 1 59 59 LYS H H 1 8.732 0.030 . 1 . . . . 59 LYS H . 17837 1 101 . 1 1 59 59 LYS N N 15 119.999 0.300 . 1 . . . . 59 LYS N . 17837 1 102 . 1 1 73 73 VAL H H 1 7.566 0.030 . 1 . . . . 73 VAL H . 17837 1 103 . 1 1 73 73 VAL N N 15 113.718 0.300 . 1 . . . . 73 VAL N . 17837 1 104 . 1 1 74 74 THR H H 1 7.766 0.030 . 1 . . . . 74 THR H . 17837 1 105 . 1 1 74 74 THR N N 15 109.670 0.300 . 1 . . . . 74 THR N . 17837 1 106 . 1 1 75 75 GLU H H 1 7.259 0.030 . 1 . . . . 75 GLU H . 17837 1 107 . 1 1 75 75 GLU N N 15 117.541 0.300 . 1 . . . . 75 GLU N . 17837 1 108 . 1 1 76 76 TRP H H 1 8.638 0.030 . 1 . . . . 76 TRP H . 17837 1 109 . 1 1 76 76 TRP N N 15 120.102 0.300 . 1 . . . . 76 TRP N . 17837 1 110 . 1 1 77 77 VAL H H 1 8.092 0.030 . 1 . . . . 77 VAL H . 17837 1 111 . 1 1 77 77 VAL N N 15 107.825 0.300 . 1 . . . . 77 VAL N . 17837 1 112 . 1 1 78 78 LYS H H 1 6.685 0.030 . 1 . . . . 78 LYS H . 17837 1 113 . 1 1 78 78 LYS N N 15 118.042 0.300 . 1 . . . . 78 LYS N . 17837 1 114 . 1 1 79 79 GLY H H 1 9.423 0.030 . 1 . . . . 79 GLY H . 17837 1 115 . 1 1 79 79 GLY N N 15 112.501 0.300 . 1 . . . . 79 GLY N . 17837 1 116 . 1 1 80 80 LYS H H 1 7.887 0.030 . 1 . . . . 80 LYS H . 17837 1 117 . 1 1 80 80 LYS N N 15 120.231 0.300 . 1 . . . . 80 LYS N . 17837 1 118 . 1 1 81 81 SER H H 1 8.982 0.030 . 1 . . . . 81 SER H . 17837 1 119 . 1 1 81 81 SER N N 15 116.217 0.300 . 1 . . . . 81 SER N . 17837 1 120 . 1 1 82 82 LEU H H 1 8.012 0.030 . 1 . . . . 82 LEU H . 17837 1 121 . 1 1 82 82 LEU N N 15 118.521 0.300 . 1 . . . . 82 LEU N . 17837 1 122 . 1 1 83 83 ASP H H 1 8.112 0.030 . 1 . . . . 83 ASP H . 17837 1 123 . 1 1 83 83 ASP N N 15 116.064 0.300 . 1 . . . . 83 ASP N . 17837 1 124 . 1 1 84 84 GLU H H 1 7.793 0.030 . 1 . . . . 84 GLU H . 17837 1 125 . 1 1 84 84 GLU N N 15 120.789 0.300 . 1 . . . . 84 GLU N . 17837 1 126 . 1 1 85 85 ALA H H 1 8.670 0.030 . 1 . . . . 85 ALA H . 17837 1 127 . 1 1 85 85 ALA N N 15 122.605 0.300 . 1 . . . . 85 ALA N . 17837 1 128 . 1 1 86 86 GLN H H 1 7.841 0.030 . 1 . . . . 86 GLN H . 17837 1 129 . 1 1 86 86 GLN CA C 13 57.514 0.300 . 1 . . . . 86 GLN CA . 17837 1 130 . 1 1 86 86 GLN CB C 13 28.719 0.300 . 1 . . . . 86 GLN CB . 17837 1 131 . 1 1 86 86 GLN CG C 13 34.323 0.300 . 1 . . . . 86 GLN CG . 17837 1 132 . 1 1 86 86 GLN N N 15 115.297 0.300 . 1 . . . . 86 GLN N . 17837 1 133 . 1 1 87 87 ALA H H 1 7.095 0.030 . 1 . . . . 87 ALA H . 17837 1 134 . 1 1 87 87 ALA C C 13 177.711 0.300 . 1 . . . . 87 ALA C . 17837 1 135 . 1 1 87 87 ALA CA C 13 51.819 0.300 . 1 . . . . 87 ALA CA . 17837 1 136 . 1 1 87 87 ALA CB C 13 18.877 0.300 . 1 . . . . 87 ALA CB . 17837 1 137 . 1 1 87 87 ALA N N 15 117.938 0.300 . 1 . . . . 87 ALA N . 17837 1 138 . 1 1 88 88 ILE H H 1 7.096 0.030 . 1 . . . . 88 ILE H . 17837 1 139 . 1 1 88 88 ILE CA C 13 62.858 0.300 . 1 . . . . 88 ILE CA . 17837 1 140 . 1 1 88 88 ILE CB C 13 37.742 0.300 . 1 . . . . 88 ILE CB . 17837 1 141 . 1 1 88 88 ILE N N 15 120.667 0.300 . 1 . . . . 88 ILE N . 17837 1 142 . 1 1 89 89 LYS H H 1 8.399 0.030 . 1 . . . . 89 LYS H . 17837 1 143 . 1 1 89 89 LYS CA C 13 53.973 0.300 . 1 . . . . 89 LYS CA . 17837 1 144 . 1 1 89 89 LYS CB C 13 35.706 0.300 . 1 . . . . 89 LYS CB . 17837 1 145 . 1 1 89 89 LYS N N 15 125.098 0.300 . 1 . . . . 89 LYS N . 17837 1 146 . 1 1 90 90 ASN H H 1 9.397 0.030 . 1 . . . . 90 ASN H . 17837 1 147 . 1 1 90 90 ASN N N 15 121.356 0.300 . 1 . . . . 90 ASN N . 17837 1 148 . 1 1 91 91 THR H H 1 7.164 0.030 . 1 . . . . 91 THR H . 17837 1 149 . 1 1 91 91 THR CA C 13 64.622 0.300 . 1 . . . . 91 THR CA . 17837 1 150 . 1 1 91 91 THR CB C 13 67.450 0.300 . 1 . . . . 91 THR CB . 17837 1 151 . 1 1 91 91 THR N N 15 109.907 0.300 . 1 . . . . 91 THR N . 17837 1 152 . 1 1 92 92 ASP H H 1 7.085 0.030 . 1 . . . . 92 ASP H . 17837 1 153 . 1 1 92 92 ASP C C 13 178.752 0.300 . 1 . . . . 92 ASP C . 17837 1 154 . 1 1 92 92 ASP CA C 13 57.503 0.300 . 1 . . . . 92 ASP CA . 17837 1 155 . 1 1 92 92 ASP N N 15 121.928 0.300 . 1 . . . . 92 ASP N . 17837 1 156 . 1 1 93 93 ILE H H 1 7.111 0.030 . 1 . . . . 93 ILE H . 17837 1 157 . 1 1 93 93 ILE CA C 13 64.389 0.300 . 1 . . . . 93 ILE CA . 17837 1 158 . 1 1 93 93 ILE N N 15 120.541 0.300 . 1 . . . . 93 ILE N . 17837 1 159 . 1 1 94 94 ALA H H 1 8.188 0.030 . 1 . . . . 94 ALA H . 17837 1 160 . 1 1 94 94 ALA N N 15 118.602 0.300 . 1 . . . . 94 ALA N . 17837 1 161 . 1 1 95 95 GLU H H 1 8.012 0.030 . 1 . . . . 95 GLU H . 17837 1 162 . 1 1 95 95 GLU N N 15 116.370 0.300 . 1 . . . . 95 GLU N . 17837 1 163 . 1 1 96 96 GLU H H 1 7.711 0.030 . 1 . . . . 96 GLU H . 17837 1 164 . 1 1 96 96 GLU N N 15 120.521 0.300 . 1 . . . . 96 GLU N . 17837 1 165 . 1 1 97 97 LEU H H 1 7.278 0.030 . 1 . . . . 97 LEU H . 17837 1 166 . 1 1 97 97 LEU N N 15 112.621 0.300 . 1 . . . . 97 LEU N . 17837 1 167 . 1 1 98 98 GLU HA H 1 4.210 0.030 . 1 . . . . 98 GLU HA . 17837 1 168 . 1 1 98 98 GLU C C 13 174.486 0.300 . 1 . . . . 98 GLU C . 17837 1 169 . 1 1 98 98 GLU CA C 13 56.318 0.300 . 1 . . . . 98 GLU CA . 17837 1 170 . 1 1 98 98 GLU CB C 13 30.344 0.300 . 1 . . . . 98 GLU CB . 17837 1 171 . 1 1 99 99 LEU H H 1 7.902 0.030 . 1 . . . . 99 LEU H . 17837 1 172 . 1 1 99 99 LEU CA C 13 51.964 0.300 . 1 . . . . 99 LEU CA . 17837 1 173 . 1 1 99 99 LEU N N 15 122.822 0.300 . 1 . . . . 99 LEU N . 17837 1 174 . 1 1 102 102 VAL H H 1 7.568 0.030 . 1 . . . . 102 VAL H . 17837 1 175 . 1 1 102 102 VAL N N 15 110.118 0.300 . 1 . . . . 102 VAL N . 17837 1 176 . 1 1 103 103 LYS H H 1 8.104 0.030 . 1 . . . . 103 LYS H . 17837 1 177 . 1 1 103 103 LYS N N 15 116.493 0.300 . 1 . . . . 103 LYS N . 17837 1 178 . 1 1 104 104 ILE H H 1 7.591 0.030 . 1 . . . . 104 ILE H . 17837 1 179 . 1 1 104 104 ILE N N 15 122.907 0.300 . 1 . . . . 104 ILE N . 17837 1 180 . 1 1 105 105 HIS C C 13 177.041 0.300 . 1 . . . . 105 HIS C . 17837 1 181 . 1 1 105 105 HIS CA C 13 59.776 0.300 . 1 . . . . 105 HIS CA . 17837 1 182 . 1 1 106 106 CYS H H 1 7.484 0.030 . 1 . . . . 106 CYS H . 17837 1 183 . 1 1 106 106 CYS CB C 13 26.764 0.300 . 1 . . . . 106 CYS CB . 17837 1 184 . 1 1 106 106 CYS N N 15 120.067 0.300 . 1 . . . . 106 CYS N . 17837 1 185 . 1 1 107 107 SER H H 1 7.472 0.030 . 1 . . . . 107 SER H . 17837 1 186 . 1 1 107 107 SER N N 15 113.653 0.300 . 1 . . . . 107 SER N . 17837 1 187 . 1 1 108 108 ILE H H 1 6.719 0.030 . 1 . . . . 108 ILE H . 17837 1 188 . 1 1 108 108 ILE N N 15 126.554 0.300 . 1 . . . . 108 ILE N . 17837 1 189 . 1 1 109 109 LEU H H 1 7.991 0.030 . 1 . . . . 109 LEU H . 17837 1 190 . 1 1 109 109 LEU N N 15 119.295 0.300 . 1 . . . . 109 LEU N . 17837 1 191 . 1 1 110 110 ALA H H 1 7.075 0.030 . 1 . . . . 110 ALA H . 17837 1 192 . 1 1 110 110 ALA N N 15 117.451 0.300 . 1 . . . . 110 ALA N . 17837 1 193 . 1 1 111 111 GLU H H 1 7.353 0.030 . 1 . . . . 111 GLU H . 17837 1 194 . 1 1 111 111 GLU N N 15 118.025 0.300 . 1 . . . . 111 GLU N . 17837 1 195 . 1 1 112 112 ASP H H 1 8.756 0.030 . 1 . . . . 112 ASP H . 17837 1 196 . 1 1 112 112 ASP CA C 13 57.332 0.300 . 1 . . . . 112 ASP CA . 17837 1 197 . 1 1 112 112 ASP CB C 13 39.767 0.300 . 1 . . . . 112 ASP CB . 17837 1 198 . 1 1 112 112 ASP N N 15 119.393 0.300 . 1 . . . . 112 ASP N . 17837 1 199 . 1 1 113 113 ALA H H 1 8.955 0.030 . 1 . . . . 113 ALA H . 17837 1 200 . 1 1 113 113 ALA CA C 13 55.801 0.300 . 1 . . . . 113 ALA CA . 17837 1 201 . 1 1 113 113 ALA CB C 13 18.120 0.300 . 1 . . . . 113 ALA CB . 17837 1 202 . 1 1 113 113 ALA N N 15 124.614 0.300 . 1 . . . . 113 ALA N . 17837 1 203 . 1 1 114 114 ILE H H 1 7.853 0.030 . 1 . . . . 114 ILE H . 17837 1 204 . 1 1 114 114 ILE N N 15 118.134 0.300 . 1 . . . . 114 ILE N . 17837 1 205 . 1 1 115 115 LYS H H 1 7.968 0.030 . 1 . . . . 115 LYS H . 17837 1 206 . 1 1 115 115 LYS CA C 13 61.071 0.300 . 1 . . . . 115 LYS CA . 17837 1 207 . 1 1 115 115 LYS N N 15 119.562 0.300 . 1 . . . . 115 LYS N . 17837 1 208 . 1 1 116 116 ALA H H 1 8.535 0.030 . 1 . . . . 116 ALA H . 17837 1 209 . 1 1 116 116 ALA CA C 13 54.836 0.300 . 1 . . . . 116 ALA CA . 17837 1 210 . 1 1 116 116 ALA CB C 13 17.966 0.300 . 1 . . . . 116 ALA CB . 17837 1 211 . 1 1 116 116 ALA N N 15 122.721 0.300 . 1 . . . . 116 ALA N . 17837 1 212 . 1 1 117 117 ALA H H 1 8.415 0.030 . 1 . . . . 117 ALA H . 17837 1 213 . 1 1 117 117 ALA CA C 13 55.436 0.300 . 1 . . . . 117 ALA CA . 17837 1 214 . 1 1 117 117 ALA CB C 13 17.918 0.300 . 1 . . . . 117 ALA CB . 17837 1 215 . 1 1 117 117 ALA N N 15 124.589 0.300 . 1 . . . . 117 ALA N . 17837 1 216 . 1 1 118 118 ILE H H 1 8.235 0.030 . 1 . . . . 118 ILE H . 17837 1 217 . 1 1 118 118 ILE C C 13 177.403 0.300 . 1 . . . . 118 ILE C . 17837 1 218 . 1 1 118 118 ILE CA C 13 66.289 0.300 . 1 . . . . 118 ILE CA . 17837 1 219 . 1 1 118 118 ILE N N 15 118.709 0.300 . 1 . . . . 118 ILE N . 17837 1 220 . 1 1 119 119 ALA H H 1 8.105 0.030 . 1 . . . . 119 ALA H . 17837 1 221 . 1 1 119 119 ALA CA C 13 55.300 0.300 . 1 . . . . 119 ALA CA . 17837 1 222 . 1 1 119 119 ALA CB C 13 17.840 0.300 . 1 . . . . 119 ALA CB . 17837 1 223 . 1 1 119 119 ALA N N 15 121.507 0.300 . 1 . . . . 119 ALA N . 17837 1 224 . 1 1 120 120 ASP H H 1 8.257 0.030 . 1 . . . . 120 ASP H . 17837 1 225 . 1 1 120 120 ASP N N 15 119.721 0.300 . 1 . . . . 120 ASP N . 17837 1 226 . 1 1 121 121 TYR H H 1 8.209 0.030 . 1 . . . . 121 TYR H . 17837 1 227 . 1 1 121 121 TYR N N 15 119.478 0.300 . 1 . . . . 121 TYR N . 17837 1 228 . 1 1 122 122 LYS H H 1 8.675 0.030 . 1 . . . . 122 LYS H . 17837 1 229 . 1 1 122 122 LYS C C 13 179.464 0.300 . 1 . . . . 122 LYS C . 17837 1 230 . 1 1 122 122 LYS CA C 13 60.449 0.300 . 1 . . . . 122 LYS CA . 17837 1 231 . 1 1 122 122 LYS CB C 13 32.426 0.300 . 1 . . . . 122 LYS CB . 17837 1 232 . 1 1 122 122 LYS N N 15 117.570 0.300 . 1 . . . . 122 LYS N . 17837 1 233 . 1 1 123 123 SER H H 1 8.200 0.030 . 1 . . . . 123 SER H . 17837 1 234 . 1 1 123 123 SER CA C 13 61.272 0.300 . 1 . . . . 123 SER CA . 17837 1 235 . 1 1 123 123 SER CB C 13 62.943 0.300 . 1 . . . . 123 SER CB . 17837 1 236 . 1 1 123 123 SER N N 15 114.978 0.300 . 1 . . . . 123 SER N . 17837 1 237 . 1 1 124 124 LYS H H 1 7.508 0.030 . 1 . . . . 124 LYS H . 17837 1 238 . 1 1 124 124 LYS N N 15 121.360 0.300 . 1 . . . . 124 LYS N . 17837 1 239 . 1 1 125 125 ARG H H 1 7.427 0.030 . 1 . . . . 125 ARG H . 17837 1 240 . 1 1 125 125 ARG CB C 13 29.973 0.300 . 1 . . . . 125 ARG CB . 17837 1 241 . 1 1 125 125 ARG N N 15 117.566 0.300 . 1 . . . . 125 ARG N . 17837 1 242 . 1 1 126 126 GLU H H 1 7.718 0.030 . 1 . . . . 126 GLU H . 17837 1 243 . 1 1 126 126 GLU N N 15 119.611 0.300 . 1 . . . . 126 GLU N . 17837 1 244 . 1 1 127 127 ALA H H 1 7.959 0.030 . 1 . . . . 127 ALA H . 17837 1 245 . 1 1 127 127 ALA HA H 1 4.315 0.030 . 1 . . . . 127 ALA HA . 17837 1 246 . 1 1 127 127 ALA HB1 H 1 1.387 0.030 . 1 . . . . 127 ALA MB . 17837 1 247 . 1 1 127 127 ALA HB2 H 1 1.387 0.030 . 1 . . . . 127 ALA MB . 17837 1 248 . 1 1 127 127 ALA HB3 H 1 1.387 0.030 . 1 . . . . 127 ALA MB . 17837 1 249 . 1 1 127 127 ALA C C 13 176.640 0.300 . 1 . . . . 127 ALA C . 17837 1 250 . 1 1 127 127 ALA CA C 13 52.497 0.300 . 1 . . . . 127 ALA CA . 17837 1 251 . 1 1 127 127 ALA CB C 13 18.974 0.300 . 1 . . . . 127 ALA CB . 17837 1 252 . 1 1 127 127 ALA N N 15 124.753 0.300 . 1 . . . . 127 ALA N . 17837 1 253 . 1 1 128 128 LYS H H 1 7.760 0.030 . 1 . . . . 128 LYS H . 17837 1 254 . 1 1 128 128 LYS CA C 13 57.565 0.300 . 1 . . . . 128 LYS CA . 17837 1 255 . 1 1 128 128 LYS CB C 13 33.717 0.300 . 1 . . . . 128 LYS CB . 17837 1 256 . 1 1 128 128 LYS N N 15 126.161 0.300 . 1 . . . . 128 LYS N . 17837 1 stop_ save_