################################### # 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_assignments_zf3 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assignments_zf3 _Assigned_chem_shift_list.Entry_ID 16815 _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' . . . 16815 1 2 '2D 1H-13C HSQC' . . . 16815 1 3 '3D CBCA(CO)NH' . . . 16815 1 4 '3D HNCACB' . . . 16815 1 5 '3D HNCO' . . . 16815 1 6 '3D HN(CO)CA' . . . 16815 1 7 '3D HBHA(CO)NH' . . . 16815 1 8 '3D HCCH-TOCSY' . . . 16815 1 9 '3D 1H-15N NOESY' . . . 16815 1 10 '3D 1H-13C NOESY' . . . 16815 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 ALA H H 1 8.062 . . 1 . . . . 56 ALA HN . 16815 1 2 . 1 1 1 1 ALA HA H 1 4.277 . . 1 . . . . 56 ALA HA . 16815 1 3 . 1 1 1 1 ALA HB1 H 1 1.307 . . 1 . . . . 56 ALA HB1 . 16815 1 4 . 1 1 1 1 ALA HB2 H 1 1.307 . . 1 . . . . 56 ALA HB1 . 16815 1 5 . 1 1 1 1 ALA HB3 H 1 1.307 . . 1 . . . . 56 ALA HB1 . 16815 1 6 . 1 1 1 1 ALA C C 13 177.180 . . 1 . . . . 56 ALA C . 16815 1 7 . 1 1 1 1 ALA CA C 13 51.985 . . 1 . . . . 56 ALA CA . 16815 1 8 . 1 1 1 1 ALA CB C 13 19.284 . . 1 . . . . 56 ALA CB . 16815 1 9 . 1 1 1 1 ALA N N 15 123.086 . . 1 . . . . 56 ALA N . 16815 1 10 . 1 1 2 2 ALA H H 1 8.178 . . 1 . . . . 57 ALA HN . 16815 1 11 . 1 1 2 2 ALA HA H 1 4.482 . . 1 . . . . 57 ALA HA . 16815 1 12 . 1 1 2 2 ALA HB1 H 1 1.209 . . 1 . . . . 57 ALA HB1 . 16815 1 13 . 1 1 2 2 ALA HB2 H 1 1.209 . . 1 . . . . 57 ALA HB1 . 16815 1 14 . 1 1 2 2 ALA HB3 H 1 1.209 . . 1 . . . . 57 ALA HB1 . 16815 1 15 . 1 1 2 2 ALA C C 13 175.420 . . 1 . . . . 57 ALA C . 16815 1 16 . 1 1 2 2 ALA CA C 13 49.982 . . 1 . . . . 57 ALA CA . 16815 1 17 . 1 1 2 2 ALA CB C 13 18.693 . . 1 . . . . 57 ALA CB . 16815 1 18 . 1 1 2 2 ALA N N 15 123.538 . . 1 . . . . 57 ALA N . 16815 1 19 . 1 1 3 3 PRO HA H 1 4.183 . . 1 . . . . 58 PRO HA . 16815 1 20 . 1 1 3 3 PRO HB2 H 1 1.495 . . 2 . . . . 58 PRO HB1 . 16815 1 21 . 1 1 3 3 PRO HB3 H 1 2.022 . . 2 . . . . 58 PRO HB2 . 16815 1 22 . 1 1 3 3 PRO HD2 H 1 3.602 . . 2 . . . . 58 PRO HD1 . 16815 1 23 . 1 1 3 3 PRO HD3 H 1 3.715 . . 2 . . . . 58 PRO HD2 . 16815 1 24 . 1 1 3 3 PRO HG2 H 1 1.921 . . 2 . . . . 58 PRO HG1 . 16815 1 25 . 1 1 3 3 PRO HG3 H 1 1.921 . . 2 . . . . 58 PRO HG2 . 16815 1 26 . 1 1 3 3 PRO C C 13 175.790 . . 1 . . . . 58 PRO C . 16815 1 27 . 1 1 3 3 PRO CA C 13 63.543 . . 1 . . . . 58 PRO CA . 16815 1 28 . 1 1 3 3 PRO CB C 13 31.500 . . 1 . . . . 58 PRO CB . 16815 1 29 . 1 1 3 3 PRO CD C 13 50.369 . . 1 . . . . 58 PRO CD . 16815 1 30 . 1 1 3 3 PRO CG C 13 26.912 . . 1 . . . . 58 PRO CG . 16815 1 31 . 1 1 4 4 TYR H H 1 7.498 . . 1 . . . . 59 TYR HN . 16815 1 32 . 1 1 4 4 TYR HA H 1 4.483 . . 1 . . . . 59 TYR HA . 16815 1 33 . 1 1 4 4 TYR HB2 H 1 2.444 . . 2 . . . . 59 TYR HB1 . 16815 1 34 . 1 1 4 4 TYR HB3 H 1 2.933 . . 2 . . . . 59 TYR HB2 . 16815 1 35 . 1 1 4 4 TYR HD1 H 1 6.889 . . 3 . . . . 59 TYR HD1 . 16815 1 36 . 1 1 4 4 TYR HD2 H 1 6.914 . . 3 . . . . 59 TYR HD2 . 16815 1 37 . 1 1 4 4 TYR HE1 H 1 6.770 . . 3 . . . . 59 TYR HE1 . 16815 1 38 . 1 1 4 4 TYR C C 13 174.240 . . 1 . . . . 59 TYR C . 16815 1 39 . 1 1 4 4 TYR CA C 13 56.965 . . 1 . . . . 59 TYR CA . 16815 1 40 . 1 1 4 4 TYR CB C 13 39.957 . . 1 . . . . 59 TYR CB . 16815 1 41 . 1 1 4 4 TYR CD1 C 13 57.927 . . 3 . . . . 59 TYR CD1 . 16815 1 42 . 1 1 4 4 TYR CD2 C 13 57.927 . . 3 . . . . 59 TYR CD2 . 16815 1 43 . 1 1 4 4 TYR CE1 C 13 57.593 . . 3 . . . . 59 TYR CE1 . 16815 1 44 . 1 1 4 4 TYR N N 15 116.473 . . 1 . . . . 59 TYR N . 16815 1 45 . 1 1 5 5 ARG H H 1 8.421 . . 1 . . . . 60 ARG HN . 16815 1 46 . 1 1 5 5 ARG HA H 1 4.956 . . 1 . . . . 60 ARG HA . 16815 1 47 . 1 1 5 5 ARG HB2 H 1 1.380 . . 2 . . . . 60 ARG HB1 . 16815 1 48 . 1 1 5 5 ARG HB3 H 1 1.571 . . 2 . . . . 60 ARG HB2 . 16815 1 49 . 1 1 5 5 ARG HD2 H 1 3.037 . . 2 . . . . 60 ARG HD1 . 16815 1 50 . 1 1 5 5 ARG HD3 H 1 3.037 . . 2 . . . . 60 ARG HD2 . 16815 1 51 . 1 1 5 5 ARG HG2 H 1 1.324 . . 2 . . . . 60 ARG HG1 . 16815 1 52 . 1 1 5 5 ARG HG3 H 1 1.324 . . 2 . . . . 60 ARG HG2 . 16815 1 53 . 1 1 5 5 ARG C C 13 175.140 . . 1 . . . . 60 ARG C . 16815 1 54 . 1 1 5 5 ARG CA C 13 53.677 . . 1 . . . . 60 ARG CA . 16815 1 55 . 1 1 5 5 ARG CB C 13 32.558 . . 1 . . . . 60 ARG CB . 16815 1 56 . 1 1 5 5 ARG CD C 13 42.911 . . 1 . . . . 60 ARG CD . 16815 1 57 . 1 1 5 5 ARG CG C 13 26.719 . . 1 . . . . 60 ARG CG . 16815 1 58 . 1 1 5 5 ARG N N 15 121.716 . . 1 . . . . 60 ARG N . 16815 1 59 . 1 1 6 6 CYS H H 1 8.828 . . 1 . . . . 61 CYS HN . 16815 1 60 . 1 1 6 6 CYS HA H 1 4.961 . . 1 . . . . 61 CYS HA . 16815 1 61 . 1 1 6 6 CYS HB2 H 1 2.621 . . 2 . . . . 61 CYS HB1 . 16815 1 62 . 1 1 6 6 CYS HB3 H 1 3.187 . . 2 . . . . 61 CYS HB2 . 16815 1 63 . 1 1 6 6 CYS C C 13 176.320 . . 1 . . . . 61 CYS C . 16815 1 64 . 1 1 6 6 CYS CA C 13 57.061 . . 1 . . . . 61 CYS CA . 16815 1 65 . 1 1 6 6 CYS CB C 13 30.815 . . 1 . . . . 61 CYS CB . 16815 1 66 . 1 1 6 6 CYS N N 15 128.049 . . 1 . . . . 61 CYS N . 16815 1 67 . 1 1 7 7 PRO HA H 1 4.474 . . 1 . . . . 62 PRO HA . 16815 1 68 . 1 1 7 7 PRO HB2 H 1 2.013 . . 2 . . . . 62 PRO HB1 . 16815 1 69 . 1 1 7 7 PRO HB3 H 1 2.355 . . 2 . . . . 62 PRO HB2 . 16815 1 70 . 1 1 7 7 PRO HG2 H 1 2.016 . . 2 . . . . 62 PRO HG1 . 16815 1 71 . 1 1 7 7 PRO HG3 H 1 2.199 . . 2 . . . . 62 PRO HG2 . 16815 1 72 . 1 1 7 7 PRO C C 13 176.640 . . 1 . . . . 62 PRO C . 16815 1 73 . 1 1 7 7 PRO CA C 13 64.237 . . 1 . . . . 62 PRO CA . 16815 1 74 . 1 1 7 7 PRO CB C 13 32.250 . . 1 . . . . 62 PRO CB . 16815 1 75 . 1 1 7 7 PRO CD C 13 51.491 . . 1 . . . . 62 PRO CD . 16815 1 76 . 1 1 7 7 PRO CG C 13 26.924 . . 1 . . . . 62 PRO CG . 16815 1 77 . 1 1 8 8 LEU H H 1 9.014 . . 1 . . . . 63 LEU HN . 16815 1 78 . 1 1 8 8 LEU HA H 1 4.374 . . 1 . . . . 63 LEU HA . 16815 1 79 . 1 1 8 8 LEU HB2 H 1 1.089 . . 2 . . . . 63 LEU HB1 . 16815 1 80 . 1 1 8 8 LEU HB3 H 1 1.089 . . 2 . . . . 63 LEU HB2 . 16815 1 81 . 1 1 8 8 LEU HD11 H 1 0.650 . . 2 . . . . 63 LEU HD11 . 16815 1 82 . 1 1 8 8 LEU HD12 H 1 0.650 . . 2 . . . . 63 LEU HD11 . 16815 1 83 . 1 1 8 8 LEU HD13 H 1 0.650 . . 2 . . . . 63 LEU HD11 . 16815 1 84 . 1 1 8 8 LEU HD21 H 1 0.583 . . 2 . . . . 63 LEU HD21 . 16815 1 85 . 1 1 8 8 LEU HD22 H 1 0.583 . . 2 . . . . 63 LEU HD21 . 16815 1 86 . 1 1 8 8 LEU HD23 H 1 0.583 . . 2 . . . . 63 LEU HD21 . 16815 1 87 . 1 1 8 8 LEU HG H 1 0.906 . . 1 . . . . 63 LEU HG . 16815 1 88 . 1 1 8 8 LEU C C 13 177.850 . . 1 . . . . 63 LEU C . 16815 1 89 . 1 1 8 8 LEU CA C 13 56.753 . . 1 . . . . 63 LEU CA . 16815 1 90 . 1 1 8 8 LEU CB C 13 42.297 . . 1 . . . . 63 LEU CB . 16815 1 91 . 1 1 8 8 LEU CD1 C 13 24.648 . . 1 . . . . 63 LEU CD1 . 16815 1 92 . 1 1 8 8 LEU CD2 C 13 22.351 . . 1 . . . . 63 LEU CD2 . 16815 1 93 . 1 1 8 8 LEU CG C 13 27.257 . . 1 . . . . 63 LEU CG . 16815 1 94 . 1 1 8 8 LEU N N 15 121.436 . . 1 . . . . 63 LEU N . 16815 1 95 . 1 1 9 9 CYS H H 1 8.538 . . 1 . . . . 64 CYS HN . 16815 1 96 . 1 1 9 9 CYS HA H 1 5.097 . . 1 . . . . 64 CYS HA . 16815 1 97 . 1 1 9 9 CYS HB2 H 1 2.820 . . 2 . . . . 64 CYS HB1 . 16815 1 98 . 1 1 9 9 CYS HB3 H 1 3.429 . . 2 . . . . 64 CYS HB2 . 16815 1 99 . 1 1 9 9 CYS C C 13 175.540 . . 1 . . . . 64 CYS C . 16815 1 100 . 1 1 9 9 CYS CA C 13 58.804 . . 1 . . . . 64 CYS CA . 16815 1 101 . 1 1 9 9 CYS CB C 13 31.840 . . 1 . . . . 64 CYS CB . 16815 1 102 . 1 1 9 9 CYS N N 15 118.190 . . 1 . . . . 64 CYS N . 16815 1 103 . 1 1 10 10 ARG H H 1 7.945 . . 1 . . . . 65 ARG HN . 16815 1 104 . 1 1 10 10 ARG HA H 1 4.062 . . 1 . . . . 65 ARG HA . 16815 1 105 . 1 1 10 10 ARG HB2 H 1 2.053 . . 2 . . . . 65 ARG HB1 . 16815 1 106 . 1 1 10 10 ARG HB3 H 1 2.214 . . 2 . . . . 65 ARG HB2 . 16815 1 107 . 1 1 10 10 ARG HD2 H 1 3.146 . . 2 . . . . 65 ARG HD1 . 16815 1 108 . 1 1 10 10 ARG HD3 H 1 3.146 . . 2 . . . . 65 ARG HD2 . 16815 1 109 . 1 1 10 10 ARG C C 13 174.670 . . 1 . . . . 65 ARG C . 16815 1 110 . 1 1 10 10 ARG CA C 13 58.701 . . 1 . . . . 65 ARG CA . 16815 1 111 . 1 1 10 10 ARG CB C 13 26.919 . . 1 . . . . 65 ARG CB . 16815 1 112 . 1 1 10 10 ARG CD C 13 42.514 . . 1 . . . . 65 ARG CD . 16815 1 113 . 1 1 10 10 ARG N N 15 116.493 . . 1 . . . . 65 ARG N . 16815 1 114 . 1 1 11 11 ALA H H 1 8.334 . . 1 . . . . 66 ALA HN . 16815 1 115 . 1 1 11 11 ALA HA H 1 4.133 . . 1 . . . . 66 ALA HA . 16815 1 116 . 1 1 11 11 ALA HB1 H 1 1.029 . . 1 . . . . 66 ALA HB1 . 16815 1 117 . 1 1 11 11 ALA HB2 H 1 1.029 . . 1 . . . . 66 ALA HB1 . 16815 1 118 . 1 1 11 11 ALA HB3 H 1 1.029 . . 1 . . . . 66 ALA HB1 . 16815 1 119 . 1 1 11 11 ALA C C 13 177.360 . . 1 . . . . 66 ALA C . 16815 1 120 . 1 1 11 11 ALA CA C 13 53.667 . . 1 . . . . 66 ALA CA . 16815 1 121 . 1 1 11 11 ALA CB C 13 19.435 . . 1 . . . . 66 ALA CB . 16815 1 122 . 1 1 11 11 ALA N N 15 124.818 . . 1 . . . . 66 ALA N . 16815 1 123 . 1 1 12 12 GLY H H 1 8.551 . . 1 . . . . 67 GLY HN . 16815 1 124 . 1 1 12 12 GLY HA2 H 1 3.470 . . 2 . . . . 67 GLY HA1 . 16815 1 125 . 1 1 12 12 GLY HA3 H 1 4.504 . . 2 . . . . 67 GLY HA2 . 16815 1 126 . 1 1 12 12 GLY C C 13 174.050 . . 1 . . . . 67 GLY C . 16815 1 127 . 1 1 12 12 GLY CA C 13 45.065 . . 1 . . . . 67 GLY CA . 16815 1 128 . 1 1 12 12 GLY N N 15 108.864 . . 1 . . . . 67 GLY N . 16815 1 129 . 1 1 13 13 CYS H H 1 8.693 . . 1 . . . . 68 CYS HN . 16815 1 130 . 1 1 13 13 CYS HA H 1 4.989 . . 1 . . . . 68 CYS HA . 16815 1 131 . 1 1 13 13 CYS HB2 H 1 2.628 . . 2 . . . . 68 CYS HB1 . 16815 1 132 . 1 1 13 13 CYS HB3 H 1 2.980 . . 2 . . . . 68 CYS HB2 . 16815 1 133 . 1 1 13 13 CYS C C 13 181.510 . . 1 . . . . 68 CYS C . 16815 1 134 . 1 1 13 13 CYS CA C 13 55.728 . . 1 . . . . 68 CYS CA . 16815 1 135 . 1 1 13 13 CYS CB C 13 31.020 . . 1 . . . . 68 CYS CB . 16815 1 136 . 1 1 13 13 CYS N N 15 121.792 . . 1 . . . . 68 CYS N . 16815 1 137 . 1 1 14 14 PRO HA H 1 4.585 . . 1 . . . . 69 PRO HA . 16815 1 138 . 1 1 14 14 PRO HB2 H 1 2.134 . . 2 . . . . 69 PRO HB1 . 16815 1 139 . 1 1 14 14 PRO HB3 H 1 2.304 . . 2 . . . . 69 PRO HB2 . 16815 1 140 . 1 1 14 14 PRO HD2 H 1 3.550 . . 2 . . . . 69 PRO HD1 . 16815 1 141 . 1 1 14 14 PRO HD3 H 1 3.795 . . 2 . . . . 69 PRO HD2 . 16815 1 142 . 1 1 14 14 PRO HG2 H 1 2.014 . . 2 . . . . 69 PRO HG1 . 16815 1 143 . 1 1 14 14 PRO HG3 H 1 2.176 . . 2 . . . . 69 PRO HG2 . 16815 1 144 . 1 1 14 14 PRO C C 13 175.500 . . 1 . . . . 69 PRO C . 16815 1 145 . 1 1 14 14 PRO CA C 13 64.105 . . 1 . . . . 69 PRO CA . 16815 1 146 . 1 1 14 14 PRO CB C 13 32.558 . . 1 . . . . 69 PRO CB . 16815 1 147 . 1 1 14 14 PRO CD C 13 50.723 . . 1 . . . . 69 PRO CD . 16815 1 148 . 1 1 14 14 PRO CG C 13 26.689 . . 1 . . . . 69 PRO CG . 16815 1 149 . 1 1 15 15 SER H H 1 7.189 . . 1 . . . . 70 SER HN . 16815 1 150 . 1 1 15 15 SER HA H 1 4.665 . . 1 . . . . 70 SER HA . 16815 1 151 . 1 1 15 15 SER HB2 H 1 3.942 . . 2 . . . . 70 SER HB1 . 16815 1 152 . 1 1 15 15 SER HB3 H 1 4.133 . . 2 . . . . 70 SER HB2 . 16815 1 153 . 1 1 15 15 SER C C 13 172.940 . . 1 . . . . 70 SER C . 16815 1 154 . 1 1 15 15 SER CA C 13 55.933 . . 1 . . . . 70 SER CA . 16815 1 155 . 1 1 15 15 SER CB C 13 66.904 . . 1 . . . . 70 SER CB . 16815 1 156 . 1 1 15 15 SER N N 15 110.436 . . 1 . . . . 70 SER N . 16815 1 157 . 1 1 16 16 LEU H H 1 8.656 . . 1 . . . . 71 LEU HN . 16815 1 158 . 1 1 16 16 LEU HA H 1 3.329 . . 1 . . . . 71 LEU HA . 16815 1 159 . 1 1 16 16 LEU HB2 H 1 1.250 . . 2 . . . . 71 LEU HB1 . 16815 1 160 . 1 1 16 16 LEU HB3 H 1 1.511 . . 2 . . . . 71 LEU HB2 . 16815 1 161 . 1 1 16 16 LEU HD11 H 1 0.800 . . 2 . . . . 71 LEU HD11 . 16815 1 162 . 1 1 16 16 LEU HD12 H 1 0.800 . . 2 . . . . 71 LEU HD11 . 16815 1 163 . 1 1 16 16 LEU HD13 H 1 0.800 . . 2 . . . . 71 LEU HD11 . 16815 1 164 . 1 1 16 16 LEU HD21 H 1 0.767 . . 2 . . . . 71 LEU HD21 . 16815 1 165 . 1 1 16 16 LEU HD22 H 1 0.767 . . 2 . . . . 71 LEU HD21 . 16815 1 166 . 1 1 16 16 LEU HD23 H 1 0.767 . . 2 . . . . 71 LEU HD21 . 16815 1 167 . 1 1 16 16 LEU HG H 1 1.272 . . 1 . . . . 71 LEU HG . 16815 1 168 . 1 1 16 16 LEU C C 13 178.670 . . 1 . . . . 71 LEU C . 16815 1 169 . 1 1 16 16 LEU CA C 13 57.576 . . 1 . . . . 71 LEU CA . 16815 1 170 . 1 1 16 16 LEU CB C 13 40.965 . . 1 . . . . 71 LEU CB . 16815 1 171 . 1 1 16 16 LEU CD1 C 13 24.801 . . 1 . . . . 71 LEU CD1 . 16815 1 172 . 1 1 16 16 LEU CD2 C 13 22.983 . . 1 . . . . 71 LEU CD2 . 16815 1 173 . 1 1 16 16 LEU CG C 13 26.534 . . 1 . . . . 71 LEU CG . 16815 1 174 . 1 1 16 16 LEU N N 15 124.573 . . 1 . . . . 71 LEU N . 16815 1 175 . 1 1 17 17 ALA H H 1 8.563 . . 1 . . . . 72 ALA HN . 16815 1 176 . 1 1 17 17 ALA HA H 1 4.092 . . 1 . . . . 72 ALA HA . 16815 1 177 . 1 1 17 17 ALA HB1 H 1 1.350 . . 1 . . . . 72 ALA HB1 . 16815 1 178 . 1 1 17 17 ALA HB2 H 1 1.350 . . 1 . . . . 72 ALA HB1 . 16815 1 179 . 1 1 17 17 ALA HB3 H 1 1.350 . . 1 . . . . 72 ALA HB1 . 16815 1 180 . 1 1 17 17 ALA C C 13 181.570 . . 1 . . . . 72 ALA C . 16815 1 181 . 1 1 17 17 ALA CA C 13 55.318 . . 1 . . . . 72 ALA CA . 16815 1 182 . 1 1 17 17 ALA CB C 13 17.897 . . 1 . . . . 72 ALA CB . 16815 1 183 . 1 1 17 17 ALA N N 15 121.083 . . 1 . . . . 72 ALA N . 16815 1 184 . 1 1 18 18 SER H H 1 7.980 . . 1 . . . . 73 SER HN . 16815 1 185 . 1 1 18 18 SER HA H 1 4.243 . . 1 . . . . 73 SER HA . 16815 1 186 . 1 1 18 18 SER HB2 H 1 3.942 . . 2 . . . . 73 SER HB1 . 16815 1 187 . 1 1 18 18 SER HB3 H 1 3.942 . . 2 . . . . 73 SER HB2 . 16815 1 188 . 1 1 18 18 SER C C 13 177.640 . . 1 . . . . 73 SER C . 16815 1 189 . 1 1 18 18 SER CA C 13 61.264 . . 1 . . . . 73 SER CA . 16815 1 190 . 1 1 18 18 SER CB C 13 62.802 . . 1 . . . . 73 SER CB . 16815 1 191 . 1 1 18 18 SER N N 15 113.924 . . 1 . . . . 73 SER N . 16815 1 192 . 1 1 19 19 MET H H 1 8.116 . . 1 . . . . 74 MET HN . 16815 1 193 . 1 1 19 19 MET HA H 1 4.648 . . 1 . . . . 74 MET HA . 16815 1 194 . 1 1 19 19 MET HB2 H 1 1.796 . . 2 . . . . 74 MET HB1 . 16815 1 195 . 1 1 19 19 MET HB3 H 1 2.349 . . 2 . . . . 74 MET HB2 . 16815 1 196 . 1 1 19 19 MET HG2 H 1 2.619 . . 2 . . . . 74 MET HG1 . 16815 1 197 . 1 1 19 19 MET HG3 H 1 2.619 . . 2 . . . . 74 MET HG2 . 16815 1 198 . 1 1 19 19 MET C C 13 178.090 . . 1 . . . . 74 MET C . 16815 1 199 . 1 1 19 19 MET CA C 13 59.009 . . 1 . . . . 74 MET CA . 16815 1 200 . 1 1 19 19 MET CB C 13 32.865 . . 1 . . . . 74 MET CB . 16815 1 201 . 1 1 19 19 MET CG C 13 31.707 . . 1 . . . . 74 MET CG . 16815 1 202 . 1 1 19 19 MET N N 15 125.408 . . 1 . . . . 74 MET N . 16815 1 203 . 1 1 20 20 GLN H H 1 8.669 . . 1 . . . . 75 GLN HN . 16815 1 204 . 1 1 20 20 GLN HA H 1 3.974 . . 1 . . . . 75 GLN HA . 16815 1 205 . 1 1 20 20 GLN HB2 H 1 1.971 . . 2 . . . . 75 GLN HB1 . 16815 1 206 . 1 1 20 20 GLN HB3 H 1 2.217 . . 2 . . . . 75 GLN HB2 . 16815 1 207 . 1 1 20 20 GLN HE21 H 1 6.821 . . 2 . . . . 75 GLN HE21 . 16815 1 208 . 1 1 20 20 GLN HE22 H 1 7.352 . . 2 . . . . 75 GLN HE22 . 16815 1 209 . 1 1 20 20 GLN HG2 H 1 2.345 . . 2 . . . . 75 GLN HG1 . 16815 1 210 . 1 1 20 20 GLN HG3 H 1 2.514 . . 2 . . . . 75 GLN HG2 . 16815 1 211 . 1 1 20 20 GLN C C 13 179.160 . . 1 . . . . 75 GLN C . 16815 1 212 . 1 1 20 20 GLN CA C 13 59.316 . . 1 . . . . 75 GLN CA . 16815 1 213 . 1 1 20 20 GLN CB C 13 27.944 . . 1 . . . . 75 GLN CB . 16815 1 214 . 1 1 20 20 GLN CG C 13 33.956 . . 1 . . . . 75 GLN CG . 16815 1 215 . 1 1 20 20 GLN N N 15 119.420 . . 1 . . . . 75 GLN N . 16815 1 216 . 1 1 20 20 GLN NE2 N 15 110.781 . . 1 . . . . 75 GLN NE2 . 16815 1 217 . 1 1 21 21 ALA H H 1 7.799 . . 1 . . . . 76 ALA HN . 16815 1 218 . 1 1 21 21 ALA HA H 1 4.055 . . 1 . . . . 76 ALA HA . 16815 1 219 . 1 1 21 21 ALA HB1 H 1 1.491 . . 1 . . . . 76 ALA HB1 . 16815 1 220 . 1 1 21 21 ALA HB2 H 1 1.491 . . 1 . . . . 76 ALA HB1 . 16815 1 221 . 1 1 21 21 ALA HB3 H 1 1.491 . . 1 . . . . 76 ALA HB1 . 16815 1 222 . 1 1 21 21 ALA C C 13 180.420 . . 1 . . . . 76 ALA C . 16815 1 223 . 1 1 21 21 ALA CA C 13 55.318 . . 1 . . . . 76 ALA CA . 16815 1 224 . 1 1 21 21 ALA CB C 13 17.897 . . 1 . . . . 76 ALA CB . 16815 1 225 . 1 1 21 21 ALA N N 15 121.521 . . 1 . . . . 76 ALA N . 16815 1 226 . 1 1 22 22 HIS H H 1 8.429 . . 1 . . . . 77 HIS HN . 16815 1 227 . 1 1 22 22 HIS HA H 1 4.107 . . 1 . . . . 77 HIS HA . 16815 1 228 . 1 1 22 22 HIS HB2 H 1 3.301 . . 2 . . . . 77 HIS HB1 . 16815 1 229 . 1 1 22 22 HIS HB3 H 1 3.721 . . 2 . . . . 77 HIS HB2 . 16815 1 230 . 1 1 22 22 HIS HD2 H 1 7.308 . . 3 . . . . 77 HIS HD2 . 16815 1 231 . 1 1 22 22 HIS HE1 H 1 7.790 . . 3 . . . . 77 HIS HE1 . 16815 1 232 . 1 1 22 22 HIS C C 13 178.360 . . 1 . . . . 77 HIS C . 16815 1 233 . 1 1 22 22 HIS CA C 13 59.726 . . 1 . . . . 77 HIS CA . 16815 1 234 . 1 1 22 22 HIS CB C 13 27.944 . . 1 . . . . 77 HIS CB . 16815 1 235 . 1 1 22 22 HIS N N 15 119.702 . . 1 . . . . 77 HIS N . 16815 1 236 . 1 1 23 23 MET H H 1 8.678 . . 1 . . . . 78 MET HN . 16815 1 237 . 1 1 23 23 MET HA H 1 4.219 . . 1 . . . . 78 MET HA . 16815 1 238 . 1 1 23 23 MET HB2 H 1 2.288 . . 2 . . . . 78 MET HB1 . 16815 1 239 . 1 1 23 23 MET HB3 H 1 2.288 . . 2 . . . . 78 MET HB2 . 16815 1 240 . 1 1 23 23 MET HG2 H 1 3.011 . . 2 . . . . 78 MET HG1 . 16815 1 241 . 1 1 23 23 MET HG3 H 1 3.011 . . 2 . . . . 78 MET HG2 . 16815 1 242 . 1 1 23 23 MET C C 13 179.550 . . 1 . . . . 78 MET C . 16815 1 243 . 1 1 23 23 MET CA C 13 57.881 . . 1 . . . . 78 MET CA . 16815 1 244 . 1 1 23 23 MET CB C 13 30.917 . . 1 . . . . 78 MET CB . 16815 1 245 . 1 1 23 23 MET CG C 13 31.701 . . 1 . . . . 78 MET CG . 16815 1 246 . 1 1 23 23 MET N N 15 117.580 . . 1 . . . . 78 MET N . 16815 1 247 . 1 1 24 24 ARG H H 1 7.542 . . 1 . . . . 79 ARG HN . 16815 1 248 . 1 1 24 24 ARG HA H 1 4.127 . . 1 . . . . 79 ARG HA . 16815 1 249 . 1 1 24 24 ARG HB2 H 1 1.910 . . 2 . . . . 79 ARG HB1 . 16815 1 250 . 1 1 24 24 ARG HB3 H 1 1.910 . . 2 . . . . 79 ARG HB2 . 16815 1 251 . 1 1 24 24 ARG HD2 H 1 3.283 . . 2 . . . . 79 ARG HD1 . 16815 1 252 . 1 1 24 24 ARG HD3 H 1 3.283 . . 2 . . . . 79 ARG HD2 . 16815 1 253 . 1 1 24 24 ARG HG2 H 1 1.670 . . 2 . . . . 79 ARG HG1 . 16815 1 254 . 1 1 24 24 ARG HG3 H 1 1.670 . . 2 . . . . 79 ARG HG2 . 16815 1 255 . 1 1 24 24 ARG C C 13 177.950 . . 1 . . . . 79 ARG C . 16815 1 256 . 1 1 24 24 ARG CA C 13 58.599 . . 1 . . . . 79 ARG CA . 16815 1 257 . 1 1 24 24 ARG CB C 13 29.687 . . 1 . . . . 79 ARG CB . 16815 1 258 . 1 1 24 24 ARG CD C 13 43.212 . . 1 . . . . 79 ARG CD . 16815 1 259 . 1 1 24 24 ARG CG C 13 27.665 . . 1 . . . . 79 ARG CG . 16815 1 260 . 1 1 24 24 ARG N N 15 119.500 . . 1 . . . . 79 ARG N . 16815 1 261 . 1 1 25 25 GLY H H 1 7.647 . . 1 . . . . 80 GLY HN . 16815 1 262 . 1 1 25 25 GLY HA2 H 1 3.667 . . 2 . . . . 80 GLY HA1 . 16815 1 263 . 1 1 25 25 GLY HA3 H 1 4.004 . . 2 . . . . 80 GLY HA2 . 16815 1 264 . 1 1 25 25 GLY C C 13 174.650 . . 1 . . . . 80 GLY C . 16815 1 265 . 1 1 25 25 GLY CA C 13 45.476 . . 1 . . . . 80 GLY CA . 16815 1 266 . 1 1 25 25 GLY N N 15 105.594 . . 1 . . . . 80 GLY N . 16815 1 267 . 1 1 26 26 HIS H H 1 7.325 . . 1 . . . . 81 HIS HN . 16815 1 268 . 1 1 26 26 HIS HA H 1 4.679 . . 1 . . . . 81 HIS HA . 16815 1 269 . 1 1 26 26 HIS HB2 H 1 3.167 . . 2 . . . . 81 HIS HB1 . 16815 1 270 . 1 1 26 26 HIS HB3 H 1 3.167 . . 2 . . . . 81 HIS HB2 . 16815 1 271 . 1 1 26 26 HIS HD2 H 1 6.690 . . 3 . . . . 81 HIS HD2 . 16815 1 272 . 1 1 26 26 HIS HE1 H 1 7.999 . . 3 . . . . 81 HIS HE1 . 16815 1 273 . 1 1 26 26 HIS C C 13 174.370 . . 1 . . . . 81 HIS C . 16815 1 274 . 1 1 26 26 HIS CA C 13 55.933 . . 1 . . . . 81 HIS CA . 16815 1 275 . 1 1 26 26 HIS CB C 13 28.969 . . 1 . . . . 81 HIS CB . 16815 1 276 . 1 1 26 26 HIS CD2 C 13 66.896 . . 1 . . . . 81 HIS CD2 . 16815 1 277 . 1 1 26 26 HIS N N 15 118.297 . . 1 . . . . 81 HIS N . 16815 1 278 . 1 1 27 27 SER H H 1 7.799 . . 1 . . . . 82 SER HN . 16815 1 279 . 1 1 27 27 SER HA H 1 4.292 . . 1 . . . . 82 SER HA . 16815 1 280 . 1 1 27 27 SER HB2 H 1 3.199 . . 2 . . . . 82 SER HB1 . 16815 1 281 . 1 1 27 27 SER HB3 H 1 3.898 . . 2 . . . . 82 SER HB2 . 16815 1 282 . 1 1 27 27 SER C C 13 178.620 . . 1 . . . . 82 SER C . 16815 1 283 . 1 1 27 27 SER CA C 13 60.547 . . 1 . . . . 82 SER CA . 16815 1 284 . 1 1 27 27 SER CB C 13 64.995 . . 1 . . . . 82 SER CB . 16815 1 285 . 1 1 27 27 SER N N 15 122.247 . . 1 . . . . 82 SER N . 16815 1 stop_ save_