################################### # 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_zf2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assignments_zf2 _Assigned_chem_shift_list.Entry_ID 16797 _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' . . . 16797 1 2 '2D 1H-13C HSQC' . . . 16797 1 3 '3D CBCA(CO)NH' . . . 16797 1 4 '3D HNCACB' . . . 16797 1 5 '3D HNCO' . . . 16797 1 6 '3D HBHA(CO)NH' . . . 16797 1 7 '3D HN(CO)CA' . . . 16797 1 8 '3D HCCH-TOCSY' . . . 16797 1 9 '3D 1H-15N NOESY' . . . 16797 1 10 '3D 1H-13C NOESY' . . . 16797 1 11 '2D 1H-1H NOESY' . . . 16797 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 H H 1 7.975 . . 1 . . . . 29 GLU HN . 16797 1 2 . 1 1 1 1 GLU HA H 1 4.175 . . 1 . . . . 29 GLU HA . 16797 1 3 . 1 1 1 1 GLU HB2 H 1 1.967 . . 2 . . . . 29 GLU HB1 . 16797 1 4 . 1 1 1 1 GLU HB3 H 1 1.967 . . 2 . . . . 29 GLU HB2 . 16797 1 5 . 1 1 1 1 GLU HG2 H 1 2.210 . . 2 . . . . 29 GLU HG1 . 16797 1 6 . 1 1 1 1 GLU HG3 H 1 2.269 . . 2 . . . . 29 GLU HG2 . 16797 1 7 . 1 1 1 1 GLU C C 13 176.410 . . 1 . . . . 29 GLU C . 16797 1 8 . 1 1 1 1 GLU CA C 13 56.777 . . 1 . . . . 29 GLU CA . 16797 1 9 . 1 1 1 1 GLU CB C 13 30.278 . . 1 . . . . 29 GLU CB . 16797 1 10 . 1 1 1 1 GLU CG C 13 36.215 . . 1 . . . . 29 GLU CG . 16797 1 11 . 1 1 1 1 GLU N N 15 120.041 . . 1 . . . . 29 GLU N . 16797 1 12 . 1 1 2 2 LYS H H 1 8.285 . . 1 . . . . 30 LYS HN . 16797 1 13 . 1 1 2 2 LYS HA H 1 4.567 . . 1 . . . . 30 LYS HA . 16797 1 14 . 1 1 2 2 LYS HB2 H 1 1.555 . . 2 . . . . 30 LYS HB1 . 16797 1 15 . 1 1 2 2 LYS HB3 H 1 1.613 . . 2 . . . . 30 LYS HB2 . 16797 1 16 . 1 1 2 2 LYS HD2 H 1 1.408 . . 2 . . . . 30 LYS HD1 . 16797 1 17 . 1 1 2 2 LYS HD3 H 1 1.408 . . 2 . . . . 30 LYS HD2 . 16797 1 18 . 1 1 2 2 LYS HE2 H 1 2.957 . . 2 . . . . 30 LYS HE1 . 16797 1 19 . 1 1 2 2 LYS HE3 H 1 3.021 . . 2 . . . . 30 LYS HE2 . 16797 1 20 . 1 1 2 2 LYS HG2 H 1 1.222 . . 2 . . . . 30 LYS HG1 . 16797 1 21 . 1 1 2 2 LYS HG3 H 1 1.222 . . 2 . . . . 30 LYS HG2 . 16797 1 22 . 1 1 2 2 LYS C C 13 174.080 . . 1 . . . . 30 LYS C . 16797 1 23 . 1 1 2 2 LYS CA C 13 53.833 . . 1 . . . . 30 LYS CA . 16797 1 24 . 1 1 2 2 LYS CB C 13 32.909 . . 1 . . . . 30 LYS CB . 16797 1 25 . 1 1 2 2 LYS CD C 13 26.971 . . 1 . . . . 30 LYS CD . 16797 1 26 . 1 1 2 2 LYS CE C 13 42.141 . . 1 . . . . 30 LYS CE . 16797 1 27 . 1 1 2 2 LYS CG C 13 24.643 . . 1 . . . . 30 LYS CG . 16797 1 28 . 1 1 2 2 LYS N N 15 121.515 . . 1 . . . . 30 LYS N . 16797 1 29 . 1 1 3 3 PRO HA H 1 4.275 . . 1 . . . . 31 PRO HA . 16797 1 30 . 1 1 3 3 PRO HB2 H 1 1.433 . . 2 . . . . 31 PRO HB1 . 16797 1 31 . 1 1 3 3 PRO HB3 H 1 2.001 . . 2 . . . . 31 PRO HB2 . 16797 1 32 . 1 1 3 3 PRO HD2 H 1 3.638 . . 2 . . . . 31 PRO HD1 . 16797 1 33 . 1 1 3 3 PRO HD3 H 1 3.764 . . 2 . . . . 31 PRO HD2 . 16797 1 34 . 1 1 3 3 PRO HG2 H 1 2.012 . . 2 . . . . 31 PRO HG1 . 16797 1 35 . 1 1 3 3 PRO HG3 H 1 2.176 . . 2 . . . . 31 PRO HG2 . 16797 1 36 . 1 1 3 3 PRO CA C 13 63.277 . . 1 . . . . 31 PRO CA . 16797 1 37 . 1 1 3 3 PRO CB C 13 32.161 . . 1 . . . . 31 PRO CB . 16797 1 38 . 1 1 3 3 PRO CD C 13 50.382 . . 1 . . . . 31 PRO CD . 16797 1 39 . 1 1 3 3 PRO CG C 13 26.841 . . 1 . . . . 31 PRO CG . 16797 1 40 . 1 1 4 4 PHE H H 1 8.100 . . 1 . . . . 32 PHE HN . 16797 1 41 . 1 1 4 4 PHE HA H 1 4.662 . . 1 . . . . 32 PHE HA . 16797 1 42 . 1 1 4 4 PHE HB2 H 1 2.876 . . 2 . . . . 32 PHE HB1 . 16797 1 43 . 1 1 4 4 PHE HB3 H 1 3.065 . . 2 . . . . 32 PHE HB2 . 16797 1 44 . 1 1 4 4 PHE HD1 H 1 7.234 . . 3 . . . . 32 PHE HD1 . 16797 1 45 . 1 1 4 4 PHE HE1 H 1 7.340 . . 3 . . . . 32 PHE HE1 . 16797 1 46 . 1 1 4 4 PHE C C 13 175.330 . . 1 . . . . 32 PHE C . 16797 1 47 . 1 1 4 4 PHE CA C 13 57.529 . . 1 . . . . 32 PHE CA . 16797 1 48 . 1 1 4 4 PHE CB C 13 39.205 . . 1 . . . . 32 PHE CB . 16797 1 49 . 1 1 4 4 PHE N N 15 118.118 . . 1 . . . . 32 PHE N . 16797 1 50 . 1 1 5 5 SER H H 1 8.657 . . 1 . . . . 33 SER HN . 16797 1 51 . 1 1 5 5 SER HA H 1 4.822 . . 1 . . . . 33 SER HA . 16797 1 52 . 1 1 5 5 SER HB2 H 1 3.807 . . 2 . . . . 33 SER HB1 . 16797 1 53 . 1 1 5 5 SER HB3 H 1 3.807 . . 2 . . . . 33 SER HB2 . 16797 1 54 . 1 1 5 5 SER C C 13 172.660 . . 1 . . . . 33 SER C . 16797 1 55 . 1 1 5 5 SER CA C 13 57.341 . . 1 . . . . 33 SER CA . 16797 1 56 . 1 1 5 5 SER CB C 13 64.671 . . 1 . . . . 33 SER CB . 16797 1 57 . 1 1 5 5 SER N N 15 117.842 . . 1 . . . . 33 SER N . 16797 1 58 . 1 1 6 6 CYS H H 1 8.573 . . 1 . . . . 34 CYS HN . 16797 1 59 . 1 1 6 6 CYS HA H 1 4.436 . . 1 . . . . 34 CYS HA . 16797 1 60 . 1 1 6 6 CYS HB2 H 1 2.764 . . 2 . . . . 34 CYS HB1 . 16797 1 61 . 1 1 6 6 CYS HB3 H 1 3.553 . . 2 . . . . 34 CYS HB2 . 16797 1 62 . 1 1 6 6 CYS C C 13 175.470 . . 1 . . . . 34 CYS C . 16797 1 63 . 1 1 6 6 CYS CA C 13 60.066 . . 1 . . . . 34 CYS CA . 16797 1 64 . 1 1 6 6 CYS CB C 13 29.527 . . 1 . . . . 34 CYS CB . 16797 1 65 . 1 1 6 6 CYS N N 15 127.493 . . 1 . . . . 34 CYS N . 16797 1 66 . 1 1 7 7 SER H H 1 8.073 . . 1 . . . . 35 SER HN . 16797 1 67 . 1 1 7 7 SER HA H 1 4.483 . . 1 . . . . 35 SER HA . 16797 1 68 . 1 1 7 7 SER HB2 H 1 3.929 . . 2 . . . . 35 SER HB1 . 16797 1 69 . 1 1 7 7 SER HB3 H 1 3.985 . . 2 . . . . 35 SER HB2 . 16797 1 70 . 1 1 7 7 SER CA C 13 59.597 . . 1 . . . . 35 SER CA . 16797 1 71 . 1 1 7 7 SER CB C 13 63.355 . . 1 . . . . 35 SER CB . 16797 1 72 . 1 1 7 7 SER N N 15 121.066 . . 1 . . . . 35 SER N . 16797 1 73 . 1 1 8 8 LEU H H 1 9.723 . . 1 . . . . 36 LEU HN . 16797 1 74 . 1 1 8 8 LEU HA H 1 4.419 . . 1 . . . . 36 LEU HA . 16797 1 75 . 1 1 8 8 LEU HB2 H 1 1.371 . . 2 . . . . 36 LEU HB1 . 16797 1 76 . 1 1 8 8 LEU HB3 H 1 1.371 . . 2 . . . . 36 LEU HB2 . 16797 1 77 . 1 1 8 8 LEU HD11 H 1 0.687 . . 2 . . . . 36 LEU HD11 . 16797 1 78 . 1 1 8 8 LEU HD12 H 1 0.687 . . 2 . . . . 36 LEU HD11 . 16797 1 79 . 1 1 8 8 LEU HD13 H 1 0.687 . . 2 . . . . 36 LEU HD11 . 16797 1 80 . 1 1 8 8 LEU HD21 H 1 0.687 . . 2 . . . . 36 LEU HD21 . 16797 1 81 . 1 1 8 8 LEU HD22 H 1 0.687 . . 2 . . . . 36 LEU HD21 . 16797 1 82 . 1 1 8 8 LEU HD23 H 1 0.687 . . 2 . . . . 36 LEU HD21 . 16797 1 83 . 1 1 8 8 LEU HG H 1 0.915 . . 1 . . . . 36 LEU HG . 16797 1 84 . 1 1 8 8 LEU C C 13 175.510 . . 1 . . . . 36 LEU C . 16797 1 85 . 1 1 8 8 LEU CA C 13 55.280 . . 1 . . . . 36 LEU CA . 16797 1 86 . 1 1 8 8 LEU CB C 13 43.357 . . 1 . . . . 36 LEU CB . 16797 1 87 . 1 1 8 8 LEU CD1 C 13 26.451 . . 1 . . . . 36 LEU CD1 . 16797 1 88 . 1 1 8 8 LEU CD2 C 13 22.594 . . 1 . . . . 36 LEU CD2 . 16797 1 89 . 1 1 8 8 LEU CG C 13 25.066 . . 1 . . . . 36 LEU CG . 16797 1 90 . 1 1 8 8 LEU N N 15 125.683 . . 1 . . . . 36 LEU N . 16797 1 91 . 1 1 9 9 CYS H H 1 8.178 . . 1 . . . . 37 CYS HN . 16797 1 92 . 1 1 9 9 CYS HA H 1 5.035 . . 1 . . . . 37 CYS HA . 16797 1 93 . 1 1 9 9 CYS HB2 H 1 3.010 . . 2 . . . . 37 CYS HB1 . 16797 1 94 . 1 1 9 9 CYS HB3 H 1 3.411 . . 2 . . . . 37 CYS HB2 . 16797 1 95 . 1 1 9 9 CYS CA C 13 58.140 . . 1 . . . . 37 CYS CA . 16797 1 96 . 1 1 9 9 CYS CB C 13 29.460 . . 1 . . . . 37 CYS CB . 16797 1 97 . 1 1 9 9 CYS N N 15 123.538 . . 1 . . . . 37 CYS N . 16797 1 98 . 1 1 10 10 PRO HA H 1 4.606 . . 1 . . . . 38 PRO HA . 16797 1 99 . 1 1 10 10 PRO HB2 H 1 1.956 . . 2 . . . . 38 PRO HB1 . 16797 1 100 . 1 1 10 10 PRO HB3 H 1 2.332 . . 2 . . . . 38 PRO HB2 . 16797 1 101 . 1 1 10 10 PRO HD2 H 1 3.571 . . 2 . . . . 38 PRO HD1 . 16797 1 102 . 1 1 10 10 PRO HD3 H 1 3.803 . . 2 . . . . 38 PRO HD2 . 16797 1 103 . 1 1 10 10 PRO HG2 H 1 2.009 . . 2 . . . . 38 PRO HG1 . 16797 1 104 . 1 1 10 10 PRO HG3 H 1 2.006 . . 2 . . . . 38 PRO HG2 . 16797 1 105 . 1 1 10 10 PRO C C 13 176.850 . . 1 . . . . 38 PRO C . 16797 1 106 . 1 1 10 10 PRO CA C 13 63.825 . . 1 . . . . 38 PRO CA . 16797 1 107 . 1 1 10 10 PRO CB C 13 31.782 . . 1 . . . . 38 PRO CB . 16797 1 108 . 1 1 10 10 PRO CD C 13 50.592 . . 1 . . . . 38 PRO CD . 16797 1 109 . 1 1 10 10 PRO CG C 13 27.100 . . 1 . . . . 38 PRO CG . 16797 1 110 . 1 1 11 11 GLN H H 1 8.572 . . 1 . . . . 39 GLN HN . 16797 1 111 . 1 1 11 11 GLN HA H 1 3.872 . . 1 . . . . 39 GLN HA . 16797 1 112 . 1 1 11 11 GLN HB2 H 1 1.630 . . 2 . . . . 39 GLN HB1 . 16797 1 113 . 1 1 11 11 GLN HB3 H 1 1.637 . . 2 . . . . 39 GLN HB2 . 16797 1 114 . 1 1 11 11 GLN HE21 H 1 6.766 . . 2 . . . . 39 GLN HE21 . 16797 1 115 . 1 1 11 11 GLN HE22 H 1 7.332 . . 2 . . . . 39 GLN HE22 . 16797 1 116 . 1 1 11 11 GLN HG2 H 1 1.851 . . 2 . . . . 39 GLN HG1 . 16797 1 117 . 1 1 11 11 GLN HG3 H 1 1.851 . . 2 . . . . 39 GLN HG2 . 16797 1 118 . 1 1 11 11 GLN C C 13 175.170 . . 1 . . . . 39 GLN C . 16797 1 119 . 1 1 11 11 GLN CA C 13 57.999 . . 1 . . . . 39 GLN CA . 16797 1 120 . 1 1 11 11 GLN CB C 13 28.963 . . 1 . . . . 39 GLN CB . 16797 1 121 . 1 1 11 11 GLN CG C 13 32.550 . . 1 . . . . 39 GLN CG . 16797 1 122 . 1 1 11 11 GLN N N 15 123.033 . . 1 . . . . 39 GLN N . 16797 1 123 . 1 1 11 11 GLN NE2 N 15 112.086 . . 1 . . . . 39 GLN NE2 . 16797 1 124 . 1 1 12 12 ARG H H 1 8.300 . . 1 . . . . 40 ARG HN . 16797 1 125 . 1 1 12 12 ARG HA H 1 5.075 . . 1 . . . . 40 ARG HA . 16797 1 126 . 1 1 12 12 ARG HB2 H 1 1.589 . . 2 . . . . 40 ARG HB1 . 16797 1 127 . 1 1 12 12 ARG HB3 H 1 1.843 . . 2 . . . . 40 ARG HB2 . 16797 1 128 . 1 1 12 12 ARG HD2 H 1 3.082 . . 2 . . . . 40 ARG HD1 . 16797 1 129 . 1 1 12 12 ARG HD3 H 1 3.131 . . 2 . . . . 40 ARG HD2 . 16797 1 130 . 1 1 12 12 ARG HG2 H 1 1.379 . . 2 . . . . 40 ARG HG1 . 16797 1 131 . 1 1 12 12 ARG HG3 H 1 1.476 . . 2 . . . . 40 ARG HG2 . 16797 1 132 . 1 1 12 12 ARG C C 13 176.110 . . 1 . . . . 40 ARG C . 16797 1 133 . 1 1 12 12 ARG CA C 13 54.428 . . 1 . . . . 40 ARG CA . 16797 1 134 . 1 1 12 12 ARG CB C 13 33.567 . . 1 . . . . 40 ARG CB . 16797 1 135 . 1 1 12 12 ARG CD C 13 43.357 . . 1 . . . . 40 ARG CD . 16797 1 136 . 1 1 12 12 ARG CG C 13 27.382 . . 1 . . . . 40 ARG CG . 16797 1 137 . 1 1 12 12 ARG N N 15 124.318 . . 1 . . . . 40 ARG N . 16797 1 138 . 1 1 13 13 SER H H 1 8.621 . . 1 . . . . 41 SER HN . 16797 1 139 . 1 1 13 13 SER HA H 1 4.795 . . 1 . . . . 41 SER HA . 16797 1 140 . 1 1 13 13 SER HB2 H 1 3.748 . . 2 . . . . 41 SER HB1 . 16797 1 141 . 1 1 13 13 SER HB3 H 1 3.748 . . 2 . . . . 41 SER HB2 . 16797 1 142 . 1 1 13 13 SER C C 13 173.720 . . 1 . . . . 41 SER C . 16797 1 143 . 1 1 13 13 SER CA C 13 58.282 . . 1 . . . . 41 SER CA . 16797 1 144 . 1 1 13 13 SER CB C 13 66.120 . . 1 . . . . 41 SER CB . 16797 1 145 . 1 1 13 13 SER N N 15 115.060 . . 1 . . . . 41 SER N . 16797 1 146 . 1 1 14 14 ARG H H 1 9.007 . . 1 . . . . 42 ARG HN . 16797 1 147 . 1 1 14 14 ARG HA H 1 4.380 . . 1 . . . . 42 ARG HA . 16797 1 148 . 1 1 14 14 ARG HB2 H 1 1.852 . . 2 . . . . 42 ARG HB1 . 16797 1 149 . 1 1 14 14 ARG HB3 H 1 1.890 . . 2 . . . . 42 ARG HB2 . 16797 1 150 . 1 1 14 14 ARG HD2 H 1 2.964 . . 2 . . . . 42 ARG HD1 . 16797 1 151 . 1 1 14 14 ARG HD3 H 1 3.192 . . 2 . . . . 42 ARG HD2 . 16797 1 152 . 1 1 14 14 ARG HG2 H 1 1.679 . . 2 . . . . 42 ARG HG1 . 16797 1 153 . 1 1 14 14 ARG HG3 H 1 1.713 . . 2 . . . . 42 ARG HG2 . 16797 1 154 . 1 1 14 14 ARG C C 13 174.870 . . 1 . . . . 42 ARG C . 16797 1 155 . 1 1 14 14 ARG CA C 13 57.717 . . 1 . . . . 42 ARG CA . 16797 1 156 . 1 1 14 14 ARG CB C 13 30.936 . . 1 . . . . 42 ARG CB . 16797 1 157 . 1 1 14 14 ARG CD C 13 43.169 . . 1 . . . . 42 ARG CD . 16797 1 158 . 1 1 14 14 ARG CG C 13 27.476 . . 1 . . . . 42 ARG CG . 16797 1 159 . 1 1 14 14 ARG N N 15 121.352 . . 1 . . . . 42 ARG N . 16797 1 160 . 1 1 15 15 ASP H H 1 7.580 . . 1 . . . . 43 ASP HN . 16797 1 161 . 1 1 15 15 ASP HA H 1 4.681 . . 1 . . . . 43 ASP HA . 16797 1 162 . 1 1 15 15 ASP HB2 H 1 2.805 . . 2 . . . . 43 ASP HB1 . 16797 1 163 . 1 1 15 15 ASP HB3 H 1 2.805 . . 2 . . . . 43 ASP HB2 . 16797 1 164 . 1 1 15 15 ASP C C 13 175.110 . . 1 . . . . 43 ASP C . 16797 1 165 . 1 1 15 15 ASP CA C 13 52.173 . . 1 . . . . 43 ASP CA . 16797 1 166 . 1 1 15 15 ASP CB C 13 42.776 . . 1 . . . . 43 ASP CB . 16797 1 167 . 1 1 15 15 ASP N N 15 114.167 . . 1 . . . . 43 ASP N . 16797 1 168 . 1 1 16 16 PHE H H 1 8.781 . . 1 . . . . 44 PHE HN . 16797 1 169 . 1 1 16 16 PHE HA H 1 4.653 . . 1 . . . . 44 PHE HA . 16797 1 170 . 1 1 16 16 PHE HB2 H 1 2.827 . . 2 . . . . 44 PHE HB1 . 16797 1 171 . 1 1 16 16 PHE HB3 H 1 3.381 . . 2 . . . . 44 PHE HB2 . 16797 1 172 . 1 1 16 16 PHE HD1 H 1 7.242 . . 3 . . . . 44 PHE HD1 . 16797 1 173 . 1 1 16 16 PHE HE1 H 1 7.336 . . 3 . . . . 44 PHE HE1 . 16797 1 174 . 1 1 16 16 PHE C C 13 177.730 . . 1 . . . . 44 PHE C . 16797 1 175 . 1 1 16 16 PHE CA C 13 61.194 . . 1 . . . . 44 PHE CA . 16797 1 176 . 1 1 16 16 PHE CB C 13 39.017 . . 1 . . . . 44 PHE CB . 16797 1 177 . 1 1 16 16 PHE N N 15 123.542 . . 1 . . . . 44 PHE N . 16797 1 178 . 1 1 17 17 SER H H 1 8.489 . . 1 . . . . 45 SER HN . 16797 1 179 . 1 1 17 17 SER HA H 1 4.060 . . 1 . . . . 45 SER HA . 16797 1 180 . 1 1 17 17 SER HB2 H 1 3.884 . . 2 . . . . 45 SER HB1 . 16797 1 181 . 1 1 17 17 SER HB3 H 1 3.929 . . 2 . . . . 45 SER HB2 . 16797 1 182 . 1 1 17 17 SER C C 13 177.060 . . 1 . . . . 45 SER C . 16797 1 183 . 1 1 17 17 SER CA C 13 58.375 . . 1 . . . . 45 SER CA . 16797 1 184 . 1 1 17 17 SER CB C 13 62.134 . . 1 . . . . 45 SER CB . 16797 1 185 . 1 1 17 17 SER N N 15 116.789 . . 1 . . . . 45 SER N . 16797 1 186 . 1 1 18 18 ALA H H 1 8.334 . . 1 . . . . 46 ALA HN . 16797 1 187 . 1 1 18 18 ALA HA H 1 4.117 . . 1 . . . . 46 ALA HA . 16797 1 188 . 1 1 18 18 ALA HB1 H 1 1.542 . . 1 . . . . 46 ALA HB1 . 16797 1 189 . 1 1 18 18 ALA HB2 H 1 1.542 . . 1 . . . . 46 ALA HB1 . 16797 1 190 . 1 1 18 18 ALA HB3 H 1 1.542 . . 1 . . . . 46 ALA HB1 . 16797 1 191 . 1 1 18 18 ALA C C 13 180.890 . . 1 . . . . 46 ALA C . 16797 1 192 . 1 1 18 18 ALA CA C 13 54.616 . . 1 . . . . 46 ALA CA . 16797 1 193 . 1 1 18 18 ALA CB C 13 18.438 . . 1 . . . . 46 ALA CB . 16797 1 194 . 1 1 18 18 ALA N N 15 124.818 . . 1 . . . . 46 ALA N . 16797 1 195 . 1 1 19 19 MET H H 1 7.998 . . 1 . . . . 47 MET HN . 16797 1 196 . 1 1 19 19 MET HA H 1 4.402 . . 1 . . . . 47 MET HA . 16797 1 197 . 1 1 19 19 MET HB2 H 1 1.892 . . 2 . . . . 47 MET HB1 . 16797 1 198 . 1 1 19 19 MET HB3 H 1 2.031 . . 2 . . . . 47 MET HB2 . 16797 1 199 . 1 1 19 19 MET HE1 H 1 1.705 . . 1 . . . . 47 MET HE1 . 16797 1 200 . 1 1 19 19 MET HE2 H 1 1.705 . . 1 . . . . 47 MET HE1 . 16797 1 201 . 1 1 19 19 MET HE3 H 1 1.705 . . 1 . . . . 47 MET HE1 . 16797 1 202 . 1 1 19 19 MET HG2 H 1 2.962 . . 2 . . . . 47 MET HG1 . 16797 1 203 . 1 1 19 19 MET HG3 H 1 3.189 . . 2 . . . . 47 MET HG2 . 16797 1 204 . 1 1 19 19 MET C C 13 177.770 . . 1 . . . . 47 MET C . 16797 1 205 . 1 1 19 19 MET CA C 13 57.341 . . 1 . . . . 47 MET CA . 16797 1 206 . 1 1 19 19 MET CB C 13 30.466 . . 1 . . . . 47 MET CB . 16797 1 207 . 1 1 19 19 MET CE C 13 27.286 . . 1 . . . . 47 MET CE . 16797 1 208 . 1 1 19 19 MET CG C 13 43.060 . . 1 . . . . 47 MET CG . 16797 1 209 . 1 1 19 19 MET N N 15 120.704 . . 1 . . . . 47 MET N . 16797 1 210 . 1 1 20 20 THR H H 1 8.252 . . 1 . . . . 48 THR HN . 16797 1 211 . 1 1 20 20 THR HA H 1 4.079 . . 1 . . . . 48 THR HA . 16797 1 212 . 1 1 20 20 THR HB H 1 3.647 . . 1 . . . . 48 THR HB . 16797 1 213 . 1 1 20 20 THR HG21 H 1 0.989 . . 1 . . . . 48 THR HG21 . 16797 1 214 . 1 1 20 20 THR HG22 H 1 0.989 . . 1 . . . . 48 THR HG21 . 16797 1 215 . 1 1 20 20 THR HG23 H 1 0.989 . . 1 . . . . 48 THR HG21 . 16797 1 216 . 1 1 20 20 THR C C 13 176.640 . . 1 . . . . 48 THR C . 16797 1 217 . 1 1 20 20 THR CA C 13 66.738 . . 1 . . . . 48 THR CA . 16797 1 218 . 1 1 20 20 THR CB C 13 68.366 . . 1 . . . . 48 THR CB . 16797 1 219 . 1 1 20 20 THR CG2 C 13 21.274 . . 1 . . . . 48 THR CG2 . 16797 1 220 . 1 1 20 20 THR N N 15 116.925 . . 1 . . . . 48 THR N . 16797 1 221 . 1 1 21 21 LYS H H 1 7.600 . . 1 . . . . 49 LYS HN . 16797 1 222 . 1 1 21 21 LYS HA H 1 3.883 . . 1 . . . . 49 LYS HA . 16797 1 223 . 1 1 21 21 LYS HB2 H 1 1.821 . . 2 . . . . 49 LYS HB1 . 16797 1 224 . 1 1 21 21 LYS HB3 H 1 1.821 . . 2 . . . . 49 LYS HB2 . 16797 1 225 . 1 1 21 21 LYS HD2 H 1 1.621 . . 2 . . . . 49 LYS HD1 . 16797 1 226 . 1 1 21 21 LYS HD3 H 1 1.621 . . 2 . . . . 49 LYS HD2 . 16797 1 227 . 1 1 21 21 LYS HE2 H 1 2.901 . . 2 . . . . 49 LYS HE1 . 16797 1 228 . 1 1 21 21 LYS HE3 H 1 2.901 . . 2 . . . . 49 LYS HE2 . 16797 1 229 . 1 1 21 21 LYS HG2 H 1 1.346 . . 2 . . . . 49 LYS HG1 . 16797 1 230 . 1 1 21 21 LYS HG3 H 1 1.508 . . 2 . . . . 49 LYS HG2 . 16797 1 231 . 1 1 21 21 LYS C C 13 179.110 . . 1 . . . . 49 LYS C . 16797 1 232 . 1 1 21 21 LYS CA C 13 59.597 . . 1 . . . . 49 LYS CA . 16797 1 233 . 1 1 21 21 LYS CB C 13 32.346 . . 1 . . . . 49 LYS CB . 16797 1 234 . 1 1 21 21 LYS CD C 13 29.261 . . 1 . . . . 49 LYS CD . 16797 1 235 . 1 1 21 21 LYS CE C 13 41.853 . . 1 . . . . 49 LYS CE . 16797 1 236 . 1 1 21 21 LYS CG C 13 25.033 . . 1 . . . . 49 LYS CG . 16797 1 237 . 1 1 21 21 LYS N N 15 121.037 . . 1 . . . . 49 LYS N . 16797 1 238 . 1 1 22 22 HIS H H 1 8.152 . . 1 . . . . 50 HIS HN . 16797 1 239 . 1 1 22 22 HIS HA H 1 4.239 . . 1 . . . . 50 HIS HA . 16797 1 240 . 1 1 22 22 HIS HB2 H 1 3.140 . . 2 . . . . 50 HIS HB1 . 16797 1 241 . 1 1 22 22 HIS HB3 H 1 3.506 . . 2 . . . . 50 HIS HB2 . 16797 1 242 . 1 1 22 22 HIS HD2 H 1 7.179 . . 3 . . . . 50 HIS HD2 . 16797 1 243 . 1 1 22 22 HIS HE1 H 1 7.682 . . 3 . . . . 50 HIS HE1 . 16797 1 244 . 1 1 22 22 HIS C C 13 178.490 . . 1 . . . . 50 HIS C . 16797 1 245 . 1 1 22 22 HIS CA C 13 59.409 . . 1 . . . . 50 HIS CA . 16797 1 246 . 1 1 22 22 HIS CB C 13 27.365 . . 1 . . . . 50 HIS CB . 16797 1 247 . 1 1 22 22 HIS N N 15 118.899 . . 1 . . . . 50 HIS N . 16797 1 248 . 1 1 23 23 LEU H H 1 8.890 . . 1 . . . . 51 LEU HN . 16797 1 249 . 1 1 23 23 LEU HA H 1 3.869 . . 1 . . . . 51 LEU HA . 16797 1 250 . 1 1 23 23 LEU HB2 H 1 1.626 . . 2 . . . . 51 LEU HB1 . 16797 1 251 . 1 1 23 23 LEU HB3 H 1 1.881 . . 2 . . . . 51 LEU HB2 . 16797 1 252 . 1 1 23 23 LEU HD11 H 1 1.164 . . 2 . . . . 51 LEU HD11 . 16797 1 253 . 1 1 23 23 LEU HD12 H 1 1.164 . . 2 . . . . 51 LEU HD11 . 16797 1 254 . 1 1 23 23 LEU HD13 H 1 1.164 . . 2 . . . . 51 LEU HD11 . 16797 1 255 . 1 1 23 23 LEU HD21 H 1 0.959 . . 2 . . . . 51 LEU HD21 . 16797 1 256 . 1 1 23 23 LEU HD22 H 1 0.959 . . 2 . . . . 51 LEU HD21 . 16797 1 257 . 1 1 23 23 LEU HD23 H 1 0.959 . . 2 . . . . 51 LEU HD21 . 16797 1 258 . 1 1 23 23 LEU HG H 1 1.649 . . 1 . . . . 51 LEU HG . 16797 1 259 . 1 1 23 23 LEU C C 13 179.620 . . 1 . . . . 51 LEU C . 16797 1 260 . 1 1 23 23 LEU CA C 13 58.438 . . 1 . . . . 51 LEU CA . 16797 1 261 . 1 1 23 23 LEU CB C 13 41.240 . . 1 . . . . 51 LEU CB . 16797 1 262 . 1 1 23 23 LEU CD1 C 13 24.728 . . 1 . . . . 51 LEU CD1 . 16797 1 263 . 1 1 23 23 LEU CD2 C 13 24.728 . . 1 . . . . 51 LEU CD2 . 16797 1 264 . 1 1 23 23 LEU CG C 13 27.060 . . 1 . . . . 51 LEU CG . 16797 1 265 . 1 1 23 23 LEU N N 15 122.346 . . 1 . . . . 51 LEU N . 16797 1 266 . 1 1 24 24 ARG H H 1 7.289 . . 1 . . . . 52 ARG HN . 16797 1 267 . 1 1 24 24 ARG HA H 1 4.117 . . 1 . . . . 52 ARG HA . 16797 1 268 . 1 1 24 24 ARG HB2 H 1 1.881 . . 2 . . . . 52 ARG HB1 . 16797 1 269 . 1 1 24 24 ARG HB3 H 1 1.918 . . 2 . . . . 52 ARG HB2 . 16797 1 270 . 1 1 24 24 ARG HD2 H 1 3.187 . . 2 . . . . 52 ARG HD1 . 16797 1 271 . 1 1 24 24 ARG HD3 H 1 3.187 . . 2 . . . . 52 ARG HD2 . 16797 1 272 . 1 1 24 24 ARG HG2 H 1 1.685 . . 2 . . . . 52 ARG HG1 . 16797 1 273 . 1 1 24 24 ARG HG3 H 1 1.685 . . 2 . . . . 52 ARG HG2 . 16797 1 274 . 1 1 24 24 ARG C C 13 178.720 . . 1 . . . . 52 ARG C . 16797 1 275 . 1 1 24 24 ARG CA C 13 58.281 . . 1 . . . . 52 ARG CA . 16797 1 276 . 1 1 24 24 ARG CB C 13 29.809 . . 1 . . . . 52 ARG CB . 16797 1 277 . 1 1 24 24 ARG CD C 13 43.154 . . 1 . . . . 52 ARG CD . 16797 1 278 . 1 1 24 24 ARG CG C 13 27.046 . . 1 . . . . 52 ARG CG . 16797 1 279 . 1 1 24 24 ARG N N 15 116.585 . . 1 . . . . 52 ARG N . 16797 1 280 . 1 1 25 25 THR H H 1 7.731 . . 1 . . . . 53 THR HN . 16797 1 281 . 1 1 25 25 THR HA H 1 4.098 . . 1 . . . . 53 THR HA . 16797 1 282 . 1 1 25 25 THR HB H 1 4.023 . . 1 . . . . 53 THR HB . 16797 1 283 . 1 1 25 25 THR HG21 H 1 1.211 . . 1 . . . . 53 THR HG21 . 16797 1 284 . 1 1 25 25 THR HG22 H 1 1.211 . . 1 . . . . 53 THR HG21 . 16797 1 285 . 1 1 25 25 THR HG23 H 1 1.211 . . 1 . . . . 53 THR HG21 . 16797 1 286 . 1 1 25 25 THR C C 13 175.600 . . 1 . . . . 53 THR C . 16797 1 287 . 1 1 25 25 THR CA C 13 63.919 . . 1 . . . . 53 THR CA . 16797 1 288 . 1 1 25 25 THR CB C 13 68.993 . . 1 . . . . 53 THR CB . 16797 1 289 . 1 1 25 25 THR CG2 C 13 20.898 . . 1 . . . . 53 THR CG2 . 16797 1 290 . 1 1 25 25 THR N N 15 110.656 . . 1 . . . . 53 THR N . 16797 1 291 . 1 1 26 26 HIS H H 1 7.139 . . 1 . . . . 54 HIS HN . 16797 1 292 . 1 1 26 26 HIS HA H 1 4.606 . . 1 . . . . 54 HIS HA . 16797 1 293 . 1 1 26 26 HIS HB2 H 1 3.036 . . 2 . . . . 54 HIS HB1 . 16797 1 294 . 1 1 26 26 HIS HB3 H 1 3.149 . . 2 . . . . 54 HIS HB2 . 16797 1 295 . 1 1 26 26 HIS HD2 H 1 6.514 . . 3 . . . . 54 HIS HD2 . 16797 1 296 . 1 1 26 26 HIS HE1 H 1 7.888 . . 3 . . . . 54 HIS HE1 . 16797 1 297 . 1 1 26 26 HIS C C 13 175.400 . . 1 . . . . 54 HIS C . 16797 1 298 . 1 1 26 26 HIS CA C 13 55.932 . . 1 . . . . 54 HIS CA . 16797 1 299 . 1 1 26 26 HIS CB C 13 29.057 . . 1 . . . . 54 HIS CB . 16797 1 300 . 1 1 26 26 HIS CD2 C 13 67.112 . . 1 . . . . 54 HIS CD2 . 16797 1 301 . 1 1 26 26 HIS N N 15 118.393 . . 1 . . . . 54 HIS N . 16797 1 302 . 1 1 27 27 GLY H H 1 7.767 . . 1 . . . . 55 GLY HN . 16797 1 303 . 1 1 27 27 GLY HA2 H 1 3.910 . . 2 . . . . 55 GLY HA1 . 16797 1 304 . 1 1 27 27 GLY HA3 H 1 3.985 . . 2 . . . . 55 GLY HA2 . 16797 1 305 . 1 1 27 27 GLY C C 13 173.320 . . 1 . . . . 55 GLY C . 16797 1 306 . 1 1 27 27 GLY CA C 13 44.937 . . 1 . . . . 55 GLY CA . 16797 1 307 . 1 1 27 27 GLY N N 15 107.746 . . 1 . . . . 55 GLY N . 16797 1 stop_ save_