################################### # 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_zf1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assignments_zf1 _Assigned_chem_shift_list.Entry_ID 16814 _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' . . . 16814 1 2 '2D 1H-13C HSQC' . . . 16814 1 3 '3D CBCA(CO)NH' . . . 16814 1 4 '3D HNCACB' . . . 16814 1 5 '3D HNCO' . . . 16814 1 6 '3D HBHA(CO)NH' . . . 16814 1 7 '3D HN(CO)CA' . . . 16814 1 8 '3D HCCH-TOCSY' . . . 16814 1 9 '3D 1H-15N NOESY' . . . 16814 1 10 '3D 1H-13C NOESY' . . . 16814 1 11 '2D 1H-1H NOESY' . . . 16814 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 3 3 PRO HA H 1 4.324 . . 1 . . . . 3 PRO HA . 16814 1 2 . 1 1 3 3 PRO HB2 H 1 1.354 . . 2 . . . . 3 PRO HB1 . 16814 1 3 . 1 1 3 3 PRO HB3 H 1 2.078 . . 2 . . . . 3 PRO HB2 . 16814 1 4 . 1 1 3 3 PRO HD2 H 1 3.767 . . 2 . . . . 3 PRO HD1 . 16814 1 5 . 1 1 3 3 PRO HD3 H 1 3.767 . . 2 . . . . 3 PRO HD2 . 16814 1 6 . 1 1 3 3 PRO HG2 H 1 1.751 . . 2 . . . . 3 PRO HG1 . 16814 1 7 . 1 1 3 3 PRO HG3 H 1 1.875 . . 2 . . . . 3 PRO HG2 . 16814 1 8 . 1 1 3 3 PRO CA C 13 63.167 . . 1 . . . . 3 PRO CA . 16814 1 9 . 1 1 3 3 PRO CB C 13 32.064 . . 1 . . . . 3 PRO CB . 16814 1 10 . 1 1 3 3 PRO CD C 13 50.592 . . 1 . . . . 3 PRO CD . 16814 1 11 . 1 1 3 3 PRO CG C 13 26.540 . . 1 . . . . 3 PRO CG . 16814 1 12 . 1 1 4 4 TYR H H 1 7.993 . . 1 . . . . 4 TYR HN . 16814 1 13 . 1 1 4 4 TYR HA H 1 4.671 . . 1 . . . . 4 TYR HA . 16814 1 14 . 1 1 4 4 TYR HB2 H 1 2.773 . . 2 . . . . 4 TYR HB1 . 16814 1 15 . 1 1 4 4 TYR HB3 H 1 3.140 . . 2 . . . . 4 TYR HB2 . 16814 1 16 . 1 1 4 4 TYR HD1 H 1 7.039 . . 3 . . . . 4 TYR HD1 . 16814 1 17 . 1 1 4 4 TYR HE1 H 1 6.917 . . 3 . . . . 4 TYR HE1 . 16814 1 18 . 1 1 4 4 TYR C C 13 175.080 . . 1 . . . . 4 TYR C . 16814 1 19 . 1 1 4 4 TYR CA C 13 57.623 . . 1 . . . . 4 TYR CA . 16814 1 20 . 1 1 4 4 TYR CB C 13 39.299 . . 1 . . . . 4 TYR CB . 16814 1 21 . 1 1 4 4 TYR CD1 C 13 72.216 . . 3 . . . . 4 TYR CD1 . 16814 1 22 . 1 1 4 4 TYR N N 15 118.175 . . 1 . . . . 4 TYR N . 16814 1 23 . 1 1 5 5 SER H H 1 8.773 . . 1 . . . . 5 SER HN . 16814 1 24 . 1 1 5 5 SER HA H 1 5.357 . . 1 . . . . 5 SER HA . 16814 1 25 . 1 1 5 5 SER HB2 H 1 3.534 . . 2 . . . . 5 SER HB1 . 16814 1 26 . 1 1 5 5 SER HB3 H 1 3.534 . . 2 . . . . 5 SER HB2 . 16814 1 27 . 1 1 5 5 SER C C 13 173.370 . . 1 . . . . 5 SER C . 16814 1 28 . 1 1 5 5 SER CA C 13 56.308 . . 1 . . . . 5 SER CA . 16814 1 29 . 1 1 5 5 SER CB C 13 65.329 . . 1 . . . . 5 SER CB . 16814 1 30 . 1 1 5 5 SER N N 15 116.936 . . 1 . . . . 5 SER N . 16814 1 31 . 1 1 6 6 CYS H H 1 9.163 . . 1 . . . . 6 CYS HN . 16814 1 32 . 1 1 6 6 CYS HA H 1 4.653 . . 1 . . . . 6 CYS HA . 16814 1 33 . 1 1 6 6 CYS HB2 H 1 2.989 . . 2 . . . . 6 CYS HB1 . 16814 1 34 . 1 1 6 6 CYS HB3 H 1 3.412 . . 2 . . . . 6 CYS HB2 . 16814 1 35 . 1 1 6 6 CYS C C 13 178.030 . . 1 . . . . 6 CYS C . 16814 1 36 . 1 1 6 6 CYS CA C 13 59.503 . . 1 . . . . 6 CYS CA . 16814 1 37 . 1 1 6 6 CYS CB C 13 30.278 . . 1 . . . . 6 CYS CB . 16814 1 38 . 1 1 6 6 CYS N N 15 126.129 . . 1 . . . . 6 CYS N . 16814 1 39 . 1 1 7 7 SER H H 1 9.321 . . 1 . . . . 7 SER HN . 16814 1 40 . 1 1 7 7 SER HA H 1 4.249 . . 1 . . . . 7 SER HA . 16814 1 41 . 1 1 7 7 SER HB2 H 1 4.023 . . 2 . . . . 7 SER HB1 . 16814 1 42 . 1 1 7 7 SER HB3 H 1 4.089 . . 2 . . . . 7 SER HB2 . 16814 1 43 . 1 1 7 7 SER C C 13 174.430 . . 1 . . . . 7 SER C . 16814 1 44 . 1 1 7 7 SER CA C 13 60.818 . . 1 . . . . 7 SER CA . 16814 1 45 . 1 1 7 7 SER CB C 13 62.791 . . 1 . . . . 7 SER CB . 16814 1 46 . 1 1 7 7 SER N N 15 128.244 . . 1 . . . . 7 SER N . 16814 1 47 . 1 1 8 8 VAL H H 1 8.977 . . 1 . . . . 8 VAL HN . 16814 1 48 . 1 1 8 8 VAL HA H 1 3.873 . . 1 . . . . 8 VAL HA . 16814 1 49 . 1 1 8 8 VAL HB H 1 1.166 . . 1 . . . . 8 VAL HB . 16814 1 50 . 1 1 8 8 VAL HG11 H 1 0.265 . . 2 . . . . 8 VAL HG11 . 16814 1 51 . 1 1 8 8 VAL HG12 H 1 0.265 . . 2 . . . . 8 VAL HG11 . 16814 1 52 . 1 1 8 8 VAL HG13 H 1 0.265 . . 2 . . . . 8 VAL HG11 . 16814 1 53 . 1 1 8 8 VAL HG21 H 1 0.801 . . 2 . . . . 8 VAL HG21 . 16814 1 54 . 1 1 8 8 VAL HG22 H 1 0.801 . . 2 . . . . 8 VAL HG21 . 16814 1 55 . 1 1 8 8 VAL HG23 H 1 0.801 . . 2 . . . . 8 VAL HG21 . 16814 1 56 . 1 1 8 8 VAL C C 13 176.970 . . 1 . . . . 8 VAL C . 16814 1 57 . 1 1 8 8 VAL CA C 13 64.765 . . 1 . . . . 8 VAL CA . 16814 1 58 . 1 1 8 8 VAL CB C 13 32.628 . . 1 . . . . 8 VAL CB . 16814 1 59 . 1 1 8 8 VAL CG1 C 13 19.910 . . 1 . . . . 8 VAL CG1 . 16814 1 60 . 1 1 8 8 VAL CG2 C 13 21.650 . . 1 . . . . 8 VAL CG2 . 16814 1 61 . 1 1 8 8 VAL N N 15 124.462 . . 1 . . . . 8 VAL N . 16814 1 62 . 1 1 9 9 CYS H H 1 8.206 . . 1 . . . . 9 CYS HN . 16814 1 63 . 1 1 9 9 CYS HA H 1 5.132 . . 1 . . . . 9 CYS HA . 16814 1 64 . 1 1 9 9 CYS HB2 H 1 2.773 . . 2 . . . . 9 CYS HB1 . 16814 1 65 . 1 1 9 9 CYS HB3 H 1 3.459 . . 2 . . . . 9 CYS HB2 . 16814 1 66 . 1 1 9 9 CYS C C 13 176.710 . . 1 . . . . 9 CYS C . 16814 1 67 . 1 1 9 9 CYS CA C 13 58.187 . . 1 . . . . 9 CYS CA . 16814 1 68 . 1 1 9 9 CYS CB C 13 32.440 . . 1 . . . . 9 CYS CB . 16814 1 69 . 1 1 9 9 CYS N N 15 115.998 . . 1 . . . . 9 CYS N . 16814 1 70 . 1 1 10 10 GLY H H 1 8.156 . . 1 . . . . 10 GLY HN . 16814 1 71 . 1 1 10 10 GLY HA2 H 1 3.854 . . 2 . . . . 10 GLY HA1 . 16814 1 72 . 1 1 10 10 GLY HA3 H 1 4.129 . . 2 . . . . 10 GLY HA2 . 16814 1 73 . 1 1 10 10 GLY C C 13 173.890 . . 1 . . . . 10 GLY C . 16814 1 74 . 1 1 10 10 GLY CA C 13 46.065 . . 1 . . . . 10 GLY CA . 16814 1 75 . 1 1 10 10 GLY N N 15 113.210 . . 1 . . . . 10 GLY N . 16814 1 76 . 1 1 11 11 LYS H H 1 7.998 . . 1 . . . . 11 LYS HN . 16814 1 77 . 1 1 11 11 LYS HA H 1 3.891 . . 1 . . . . 11 LYS HA . 16814 1 78 . 1 1 11 11 LYS HB2 H 1 1.166 . . 2 . . . . 11 LYS HB1 . 16814 1 79 . 1 1 11 11 LYS HB3 H 1 1.448 . . 2 . . . . 11 LYS HB2 . 16814 1 80 . 1 1 11 11 LYS HD2 H 1 1.426 . . 2 . . . . 11 LYS HD1 . 16814 1 81 . 1 1 11 11 LYS HD3 H 1 1.658 . . 2 . . . . 11 LYS HD2 . 16814 1 82 . 1 1 11 11 LYS HE2 H 1 2.953 . . 2 . . . . 11 LYS HE1 . 16814 1 83 . 1 1 11 11 LYS HE3 H 1 2.953 . . 2 . . . . 11 LYS HE2 . 16814 1 84 . 1 1 11 11 LYS HG2 H 1 0.962 . . 2 . . . . 11 LYS HG1 . 16814 1 85 . 1 1 11 11 LYS HG3 H 1 0.963 . . 2 . . . . 11 LYS HG2 . 16814 1 86 . 1 1 11 11 LYS CA C 13 58.375 . . 1 . . . . 11 LYS CA . 16814 1 87 . 1 1 11 11 LYS CB C 13 33.473 . . 1 . . . . 11 LYS CB . 16814 1 88 . 1 1 11 11 LYS CD C 13 29.046 . . 1 . . . . 11 LYS CD . 16814 1 89 . 1 1 11 11 LYS CE C 13 41.702 . . 1 . . . . 11 LYS CE . 16814 1 90 . 1 1 11 11 LYS CG C 13 25.837 . . 1 . . . . 11 LYS CG . 16814 1 91 . 1 1 11 11 LYS N N 15 123.471 . . 1 . . . . 11 LYS N . 16814 1 92 . 1 1 12 12 ARG H H 1 7.867 . . 1 . . . . 12 ARG HN . 16814 1 93 . 1 1 12 12 ARG HA H 1 5.085 . . 1 . . . . 12 ARG HA . 16814 1 94 . 1 1 12 12 ARG HB2 H 1 1.467 . . 2 . . . . 12 ARG HB1 . 16814 1 95 . 1 1 12 12 ARG HB3 H 1 1.608 . . 2 . . . . 12 ARG HB2 . 16814 1 96 . 1 1 12 12 ARG HD2 H 1 3.136 . . 2 . . . . 12 ARG HD1 . 16814 1 97 . 1 1 12 12 ARG HD3 H 1 3.136 . . 2 . . . . 12 ARG HD2 . 16814 1 98 . 1 1 12 12 ARG HG2 H 1 1.620 . . 2 . . . . 12 ARG HG1 . 16814 1 99 . 1 1 12 12 ARG HG3 H 1 1.620 . . 2 . . . . 12 ARG HG2 . 16814 1 100 . 1 1 12 12 ARG C C 13 175.900 . . 1 . . . . 12 ARG C . 16814 1 101 . 1 1 12 12 ARG CA C 13 54.710 . . 1 . . . . 12 ARG CA . 16814 1 102 . 1 1 12 12 ARG CB C 13 33.097 . . 1 . . . . 12 ARG CB . 16814 1 103 . 1 1 12 12 ARG CD C 13 43.169 . . 1 . . . . 12 ARG CD . 16814 1 104 . 1 1 12 12 ARG CG C 13 27.852 . . 1 . . . . 12 ARG CG . 16814 1 105 . 1 1 12 12 ARG N N 15 120.210 . . 1 . . . . 12 ARG N . 16814 1 106 . 1 1 13 13 PHE H H 1 8.795 . . 1 . . . . 13 PHE HN . 16814 1 107 . 1 1 13 13 PHE HA H 1 4.728 . . 1 . . . . 13 PHE HA . 16814 1 108 . 1 1 13 13 PHE HB2 H 1 2.501 . . 2 . . . . 13 PHE HB1 . 16814 1 109 . 1 1 13 13 PHE HB3 H 1 3.403 . . 2 . . . . 13 PHE HB2 . 16814 1 110 . 1 1 13 13 PHE HD1 H 1 7.051 . . 3 . . . . 13 PHE HD1 . 16814 1 111 . 1 1 13 13 PHE HD2 H 1 7.014 . . 3 . . . . 13 PHE HD2 . 16814 1 112 . 1 1 13 13 PHE HE1 H 1 6.838 . . 3 . . . . 13 PHE HE1 . 16814 1 113 . 1 1 13 13 PHE HZ H 1 6.204 . . 1 . . . . 13 PHE HZ . 16814 1 114 . 1 1 13 13 PHE C C 13 175.330 . . 1 . . . . 13 PHE C . 16814 1 115 . 1 1 13 13 PHE CA C 13 56.871 . . 1 . . . . 13 PHE CA . 16814 1 116 . 1 1 13 13 PHE CB C 13 43.716 . . 1 . . . . 13 PHE CB . 16814 1 117 . 1 1 13 13 PHE CD1 C 13 67.112 . . 3 . . . . 13 PHE CD1 . 16814 1 118 . 1 1 13 13 PHE CD2 C 13 67.112 . . 3 . . . . 13 PHE CD2 . 16814 1 119 . 1 1 13 13 PHE CE1 C 13 70.180 . . 3 . . . . 13 PHE CE1 . 16814 1 120 . 1 1 13 13 PHE CZ C 13 68.275 . . 1 . . . . 13 PHE CZ . 16814 1 121 . 1 1 13 13 PHE N N 15 117.294 . . 1 . . . . 13 PHE N . 16814 1 122 . 1 1 14 14 SER H H 1 9.090 . . 1 . . . . 14 SER HN . 16814 1 123 . 1 1 14 14 SER HA H 1 4.568 . . 1 . . . . 14 SER HA . 16814 1 124 . 1 1 14 14 SER HB2 H 1 4.032 . . 2 . . . . 14 SER HB1 . 16814 1 125 . 1 1 14 14 SER HB3 H 1 4.032 . . 2 . . . . 14 SER HB2 . 16814 1 126 . 1 1 14 14 SER C C 13 173.650 . . 1 . . . . 14 SER C . 16814 1 127 . 1 1 14 14 SER CA C 13 61.160 . . 1 . . . . 14 SER CA . 16814 1 128 . 1 1 14 14 SER CB C 13 63.637 . . 1 . . . . 14 SER CB . 16814 1 129 . 1 1 14 14 SER N N 15 117.442 . . 1 . . . . 14 SER N . 16814 1 130 . 1 1 15 15 LEU H H 1 7.585 . . 1 . . . . 15 LEU HN . 16814 1 131 . 1 1 15 15 LEU HA H 1 4.888 . . 1 . . . . 15 LEU HA . 16814 1 132 . 1 1 15 15 LEU HB2 H 1 1.232 . . 2 . . . . 15 LEU HB1 . 16814 1 133 . 1 1 15 15 LEU HB3 H 1 1.392 . . 2 . . . . 15 LEU HB2 . 16814 1 134 . 1 1 15 15 LEU HD11 H 1 0.960 . . 2 . . . . 15 LEU HD11 . 16814 1 135 . 1 1 15 15 LEU HD12 H 1 0.960 . . 2 . . . . 15 LEU HD11 . 16814 1 136 . 1 1 15 15 LEU HD13 H 1 0.960 . . 2 . . . . 15 LEU HD11 . 16814 1 137 . 1 1 15 15 LEU HD21 H 1 0.999 . . 2 . . . . 15 LEU HD21 . 16814 1 138 . 1 1 15 15 LEU HD22 H 1 0.999 . . 2 . . . . 15 LEU HD21 . 16814 1 139 . 1 1 15 15 LEU HD23 H 1 0.999 . . 2 . . . . 15 LEU HD21 . 16814 1 140 . 1 1 15 15 LEU HG H 1 1.559 . . 1 . . . . 15 LEU HG . 16814 1 141 . 1 1 15 15 LEU C C 13 177.560 . . 1 . . . . 15 LEU C . 16814 1 142 . 1 1 15 15 LEU CA C 13 52.831 . . 1 . . . . 15 LEU CA . 16814 1 143 . 1 1 15 15 LEU CB C 13 44.562 . . 1 . . . . 15 LEU CB . 16814 1 144 . 1 1 15 15 LEU CD1 C 13 26.630 . . 1 . . . . 15 LEU CD1 . 16814 1 145 . 1 1 15 15 LEU CD2 C 13 25.597 . . 1 . . . . 15 LEU CD2 . 16814 1 146 . 1 1 15 15 LEU CG C 13 22.872 . . 1 . . . . 15 LEU CG . 16814 1 147 . 1 1 15 15 LEU N N 15 117.641 . . 1 . . . . 15 LEU N . 16814 1 148 . 1 1 16 16 LYS H H 1 8.620 . . 1 . . . . 16 LYS HN . 16814 1 149 . 1 1 16 16 LYS HA H 1 2.754 . . 1 . . . . 16 LYS HA . 16814 1 150 . 1 1 16 16 LYS HB2 H 1 1.082 . . 2 . . . . 16 LYS HB1 . 16814 1 151 . 1 1 16 16 LYS HB3 H 1 1.514 . . 2 . . . . 16 LYS HB2 . 16814 1 152 . 1 1 16 16 LYS HD2 H 1 1.620 . . 2 . . . . 16 LYS HD1 . 16814 1 153 . 1 1 16 16 LYS HD3 H 1 1.620 . . 2 . . . . 16 LYS HD2 . 16814 1 154 . 1 1 16 16 LYS HE2 H 1 2.934 . . 2 . . . . 16 LYS HE1 . 16814 1 155 . 1 1 16 16 LYS HE3 H 1 2.934 . . 2 . . . . 16 LYS HE2 . 16814 1 156 . 1 1 16 16 LYS HG2 H 1 0.867 . . 2 . . . . 16 LYS HG1 . 16814 1 157 . 1 1 16 16 LYS HG3 H 1 0.867 . . 2 . . . . 16 LYS HG2 . 16814 1 158 . 1 1 16 16 LYS C C 13 178.700 . . 1 . . . . 16 LYS C . 16814 1 159 . 1 1 16 16 LYS CA C 13 60.066 . . 1 . . . . 16 LYS CA . 16814 1 160 . 1 1 16 16 LYS CB C 13 31.876 . . 1 . . . . 16 LYS CB . 16814 1 161 . 1 1 16 16 LYS CD C 13 29.261 . . 1 . . . . 16 LYS CD . 16814 1 162 . 1 1 16 16 LYS CE C 13 41.665 . . 1 . . . . 16 LYS CE . 16814 1 163 . 1 1 16 16 LYS CG C 13 24.657 . . 1 . . . . 16 LYS CG . 16814 1 164 . 1 1 16 16 LYS N N 15 127.105 . . 1 . . . . 16 LYS N . 16814 1 165 . 1 1 17 17 HIS H H 1 8.492 . . 1 . . . . 17 HIS HN . 16814 1 166 . 1 1 17 17 HIS HA H 1 4.361 . . 1 . . . . 17 HIS HA . 16814 1 167 . 1 1 17 17 HIS HB2 H 1 2.961 . . 2 . . . . 17 HIS HB1 . 16814 1 168 . 1 1 17 17 HIS HB3 H 1 3.177 . . 2 . . . . 17 HIS HB2 . 16814 1 169 . 1 1 17 17 HIS HD2 H 1 7.077 . . 3 . . . . 17 HIS HD2 . 16814 1 170 . 1 1 17 17 HIS HE1 H 1 7.827 . . 3 . . . . 17 HIS HE1 . 16814 1 171 . 1 1 17 17 HIS C C 13 177.920 . . 1 . . . . 17 HIS C . 16814 1 172 . 1 1 17 17 HIS CA C 13 58.657 . . 1 . . . . 17 HIS CA . 16814 1 173 . 1 1 17 17 HIS CB C 13 29.151 . . 1 . . . . 17 HIS CB . 16814 1 174 . 1 1 17 17 HIS CD2 C 13 72.269 . . 1 . . . . 17 HIS CD2 . 16814 1 175 . 1 1 17 17 HIS CE1 C 13 19.197 . . 1 . . . . 17 HIS CE1 . 16814 1 176 . 1 1 17 17 HIS N N 15 114.474 . . 1 . . . . 17 HIS N . 16814 1 177 . 1 1 18 18 GLN H H 1 6.434 . . 1 . . . . 18 GLN HN . 16814 1 178 . 1 1 18 18 GLN HA H 1 3.873 . . 1 . . . . 18 GLN HA . 16814 1 179 . 1 1 18 18 GLN HB2 H 1 1.909 . . 2 . . . . 18 GLN HB1 . 16814 1 180 . 1 1 18 18 GLN HB3 H 1 2.392 . . 2 . . . . 18 GLN HB2 . 16814 1 181 . 1 1 18 18 GLN HE21 H 1 7.063 . . 2 . . . . 18 GLN HE21 . 16814 1 182 . 1 1 18 18 GLN HE22 H 1 7.600 . . 2 . . . . 18 GLN HE22 . 16814 1 183 . 1 1 18 18 GLN HG2 H 1 1.865 . . 2 . . . . 18 GLN HG1 . 16814 1 184 . 1 1 18 18 GLN HG3 H 1 2.389 . . 2 . . . . 18 GLN HG2 . 16814 1 185 . 1 1 18 18 GLN C C 13 178.520 . . 1 . . . . 18 GLN C . 16814 1 186 . 1 1 18 18 GLN CA C 13 57.435 . . 1 . . . . 18 GLN CA . 16814 1 187 . 1 1 18 18 GLN CB C 13 28.023 . . 1 . . . . 18 GLN CB . 16814 1 188 . 1 1 18 18 GLN CG C 13 33.488 . . 1 . . . . 18 GLN CG . 16814 1 189 . 1 1 18 18 GLN N N 15 118.136 . . 1 . . . . 18 GLN N . 16814 1 190 . 1 1 18 18 GLN NE2 N 15 111.364 . . 1 . . . . 18 GLN NE2 . 16814 1 191 . 1 1 19 19 MET H H 1 6.846 . . 1 . . . . 19 MET HN . 16814 1 192 . 1 1 19 19 MET HA H 1 4.024 . . 1 . . . . 19 MET HA . 16814 1 193 . 1 1 19 19 MET HB2 H 1 2.305 . . 2 . . . . 19 MET HB1 . 16814 1 194 . 1 1 19 19 MET HB3 H 1 2.666 . . 2 . . . . 19 MET HB2 . 16814 1 195 . 1 1 19 19 MET HG2 H 1 2.190 . . 2 . . . . 19 MET HG1 . 16814 1 196 . 1 1 19 19 MET HG3 H 1 1.996 . . 2 . . . . 19 MET HG2 . 16814 1 197 . 1 1 19 19 MET C C 13 177.130 . . 1 . . . . 19 MET C . 16814 1 198 . 1 1 19 19 MET CA C 13 58.375 . . 1 . . . . 19 MET CA . 16814 1 199 . 1 1 19 19 MET CB C 13 31.406 . . 1 . . . . 19 MET CB . 16814 1 200 . 1 1 19 19 MET CG C 13 26.804 . . 1 . . . . 19 MET CG . 16814 1 201 . 1 1 19 19 MET N N 15 121.060 . . 1 . . . . 19 MET N . 16814 1 202 . 1 1 20 20 GLU H H 1 8.117 . . 1 . . . . 20 GLU HN . 16814 1 203 . 1 1 20 20 GLU HA H 1 3.844 . . 1 . . . . 20 GLU HA . 16814 1 204 . 1 1 20 20 GLU HB2 H 1 1.930 . . 2 . . . . 20 GLU HB1 . 16814 1 205 . 1 1 20 20 GLU HB3 H 1 1.986 . . 2 . . . . 20 GLU HB2 . 16814 1 206 . 1 1 20 20 GLU HG2 H 1 2.102 . . 2 . . . . 20 GLU HG1 . 16814 1 207 . 1 1 20 20 GLU HG3 H 1 2.314 . . 2 . . . . 20 GLU HG2 . 16814 1 208 . 1 1 20 20 GLU C C 13 179.530 . . 1 . . . . 20 GLU C . 16814 1 209 . 1 1 20 20 GLU CA C 13 59.409 . . 1 . . . . 20 GLU CA . 16814 1 210 . 1 1 20 20 GLU CB C 13 29.339 . . 1 . . . . 20 GLU CB . 16814 1 211 . 1 1 20 20 GLU CG C 13 36.591 . . 1 . . . . 20 GLU CG . 16814 1 212 . 1 1 20 20 GLU N N 15 118.459 . . 1 . . . . 20 GLU N . 16814 1 213 . 1 1 21 21 THR H H 1 7.912 . . 1 . . . . 21 THR HN . 16814 1 214 . 1 1 21 21 THR HA H 1 4.042 . . 1 . . . . 21 THR HA . 16814 1 215 . 1 1 21 21 THR HB H 1 3.844 . . 1 . . . . 21 THR HB . 16814 1 216 . 1 1 21 21 THR HG21 H 1 1.174 . . 1 . . . . 21 THR HG21 . 16814 1 217 . 1 1 21 21 THR HG22 H 1 1.174 . . 1 . . . . 21 THR HG21 . 16814 1 218 . 1 1 21 21 THR HG23 H 1 1.174 . . 1 . . . . 21 THR HG21 . 16814 1 219 . 1 1 21 21 THR C C 13 176.610 . . 1 . . . . 21 THR C . 16814 1 220 . 1 1 21 21 THR CA C 13 68.524 . . 1 . . . . 21 THR CA . 16814 1 221 . 1 1 21 21 THR CB C 13 66.174 . . 1 . . . . 21 THR CB . 16814 1 222 . 1 1 21 21 THR CG2 C 13 21.556 . . 1 . . . . 21 THR CG2 . 16814 1 223 . 1 1 21 21 THR N N 15 115.538 . . 1 . . . . 21 THR N . 16814 1 224 . 1 1 22 22 HIS H H 1 7.439 . . 1 . . . . 22 HIS HN . 16814 1 225 . 1 1 22 22 HIS HA H 1 4.173 . . 1 . . . . 22 HIS HA . 16814 1 226 . 1 1 22 22 HIS HB2 H 1 2.905 . . 2 . . . . 22 HIS HB1 . 16814 1 227 . 1 1 22 22 HIS HB3 H 1 3.036 . . 2 . . . . 22 HIS HB2 . 16814 1 228 . 1 1 22 22 HIS HD2 H 1 7.040 . . 3 . . . . 22 HIS HD2 . 16814 1 229 . 1 1 22 22 HIS HE1 H 1 8.024 . . 3 . . . . 22 HIS HE1 . 16814 1 230 . 1 1 22 22 HIS C C 13 175.740 . . 1 . . . . 22 HIS C . 16814 1 231 . 1 1 22 22 HIS CA C 13 59.033 . . 1 . . . . 22 HIS CA . 16814 1 232 . 1 1 22 22 HIS CB C 13 28.023 . . 1 . . . . 22 HIS CB . 16814 1 233 . 1 1 22 22 HIS CD2 C 13 67.118 . . 1 . . . . 22 HIS CD2 . 16814 1 234 . 1 1 22 22 HIS N N 15 121.531 . . 1 . . . . 22 HIS N . 16814 1 235 . 1 1 23 23 TYR H H 1 8.394 . . 1 . . . . 23 TYR HN . 16814 1 236 . 1 1 23 23 TYR HA H 1 3.920 . . 1 . . . . 23 TYR HA . 16814 1 237 . 1 1 23 23 TYR HB2 H 1 3.093 . . 2 . . . . 23 TYR HB1 . 16814 1 238 . 1 1 23 23 TYR HB3 H 1 3.281 . . 2 . . . . 23 TYR HB2 . 16814 1 239 . 1 1 23 23 TYR HD1 H 1 7.399 . . 3 . . . . 23 TYR HD1 . 16814 1 240 . 1 1 23 23 TYR HE1 H 1 6.917 . . 3 . . . . 23 TYR HE1 . 16814 1 241 . 1 1 23 23 TYR C C 13 176.810 . . 1 . . . . 23 TYR C . 16814 1 242 . 1 1 23 23 TYR CA C 13 61.288 . . 1 . . . . 23 TYR CA . 16814 1 243 . 1 1 23 23 TYR CB C 13 38.454 . . 1 . . . . 23 TYR CB . 16814 1 244 . 1 1 23 23 TYR CD1 C 13 70.058 . . 3 . . . . 23 TYR CD1 . 16814 1 245 . 1 1 23 23 TYR CE1 C 13 58.025 . . 3 . . . . 23 TYR CE1 . 16814 1 246 . 1 1 23 23 TYR N N 15 117.916 . . 1 . . . . 23 TYR N . 16814 1 247 . 1 1 24 24 ARG H H 1 7.086 . . 1 . . . . 24 ARG HN . 16814 1 248 . 1 1 24 24 ARG HA H 1 4.061 . . 1 . . . . 24 ARG HA . 16814 1 249 . 1 1 24 24 ARG HB2 H 1 1.805 . . 2 . . . . 24 ARG HB1 . 16814 1 250 . 1 1 24 24 ARG HB3 H 1 1.890 . . 2 . . . . 24 ARG HB2 . 16814 1 251 . 1 1 24 24 ARG HD2 H 1 3.208 . . 2 . . . . 24 ARG HD1 . 16814 1 252 . 1 1 24 24 ARG HD3 H 1 3.208 . . 2 . . . . 24 ARG HD2 . 16814 1 253 . 1 1 24 24 ARG HG2 H 1 1.688 . . 2 . . . . 24 ARG HG1 . 16814 1 254 . 1 1 24 24 ARG HG3 H 1 1.896 . . 2 . . . . 24 ARG HG2 . 16814 1 255 . 1 1 24 24 ARG C C 13 178.570 . . 1 . . . . 24 ARG C . 16814 1 256 . 1 1 24 24 ARG CA C 13 58.093 . . 1 . . . . 24 ARG CA . 16814 1 257 . 1 1 24 24 ARG CB C 13 29.903 . . 1 . . . . 24 ARG CB . 16814 1 258 . 1 1 24 24 ARG CD C 13 43.451 . . 1 . . . . 24 ARG CD . 16814 1 259 . 1 1 24 24 ARG CG C 13 27.570 . . 1 . . . . 24 ARG CG . 16814 1 260 . 1 1 24 24 ARG N N 15 114.767 . . 1 . . . . 24 ARG N . 16814 1 261 . 1 1 25 25 VAL H H 1 7.978 . . 1 . . . . 25 VAL HN . 16814 1 262 . 1 1 25 25 VAL HA H 1 3.844 . . 1 . . . . 25 VAL HA . 16814 1 263 . 1 1 25 25 VAL HB H 1 1.881 . . 1 . . . . 25 VAL HB . 16814 1 264 . 1 1 25 25 VAL HG11 H 1 0.461 . . 2 . . . . 25 VAL HG11 . 16814 1 265 . 1 1 25 25 VAL HG12 H 1 0.461 . . 2 . . . . 25 VAL HG11 . 16814 1 266 . 1 1 25 25 VAL HG13 H 1 0.461 . . 2 . . . . 25 VAL HG11 . 16814 1 267 . 1 1 25 25 VAL HG21 H 1 0.581 . . 2 . . . . 25 VAL HG21 . 16814 1 268 . 1 1 25 25 VAL HG22 H 1 0.581 . . 2 . . . . 25 VAL HG21 . 16814 1 269 . 1 1 25 25 VAL HG23 H 1 0.581 . . 2 . . . . 25 VAL HG21 . 16814 1 270 . 1 1 25 25 VAL C C 13 177.500 . . 1 . . . . 25 VAL C . 16814 1 271 . 1 1 25 25 VAL CA C 13 64.107 . . 1 . . . . 25 VAL CA . 16814 1 272 . 1 1 25 25 VAL CB C 13 30.842 . . 1 . . . . 25 VAL CB . 16814 1 273 . 1 1 25 25 VAL CG1 C 13 19.489 . . 1 . . . . 25 VAL CG1 . 16814 1 274 . 1 1 25 25 VAL CG2 C 13 19.489 . . 1 . . . . 25 VAL CG2 . 16814 1 275 . 1 1 25 25 VAL N N 15 117.257 . . 1 . . . . 25 VAL N . 16814 1 276 . 1 1 26 26 HIS H H 1 7.322 . . 1 . . . . 26 HIS HN . 16814 1 277 . 1 1 26 26 HIS HA H 1 4.747 . . 1 . . . . 26 HIS HA . 16814 1 278 . 1 1 26 26 HIS HB2 H 1 2.839 . . 2 . . . . 26 HIS HB1 . 16814 1 279 . 1 1 26 26 HIS HB3 H 1 3.187 . . 2 . . . . 26 HIS HB2 . 16814 1 280 . 1 1 26 26 HIS HD2 H 1 6.591 . . 3 . . . . 26 HIS HD2 . 16814 1 281 . 1 1 26 26 HIS HE1 H 1 8.096 . . 3 . . . . 26 HIS HE1 . 16814 1 282 . 1 1 26 26 HIS C C 13 175.850 . . 1 . . . . 26 HIS C . 16814 1 283 . 1 1 26 26 HIS CA C 13 55.180 . . 1 . . . . 26 HIS CA . 16814 1 284 . 1 1 26 26 HIS CB C 13 28.023 . . 1 . . . . 26 HIS CB . 16814 1 285 . 1 1 26 26 HIS CD2 C 13 67.552 . . 1 . . . . 26 HIS CD2 . 16814 1 286 . 1 1 26 26 HIS CE1 C 13 19.841 . . 1 . . . . 26 HIS CE1 . 16814 1 287 . 1 1 26 26 HIS N N 15 116.771 . . 1 . . . . 26 HIS N . 16814 1 288 . 1 1 27 27 THR H H 1 7.569 . . 1 . . . . 27 THR HN . 16814 1 289 . 1 1 27 27 THR HA H 1 4.230 . . 1 . . . . 27 THR HA . 16814 1 290 . 1 1 27 27 THR HB H 1 4.206 . . 1 . . . . 27 THR HB . 16814 1 291 . 1 1 27 27 THR HG21 H 1 1.151 . . 1 . . . . 27 THR HG21 . 16814 1 292 . 1 1 27 27 THR HG22 H 1 1.151 . . 1 . . . . 27 THR HG21 . 16814 1 293 . 1 1 27 27 THR HG23 H 1 1.151 . . 1 . . . . 27 THR HG21 . 16814 1 294 . 1 1 27 27 THR C C 13 175.300 . . 1 . . . . 27 THR C . 16814 1 295 . 1 1 27 27 THR CA C 13 69.369 . . 1 . . . . 27 THR CA . 16814 1 296 . 1 1 27 27 THR CB C 13 62.297 . . 1 . . . . 27 THR CB . 16814 1 297 . 1 1 27 27 THR CG2 C 13 21.462 . . 1 . . . . 27 THR CG2 . 16814 1 298 . 1 1 27 27 THR N N 15 112.283 . . 1 . . . . 27 THR N . 16814 1 299 . 1 1 28 28 GLY H H 1 8.243 . . 1 . . . . 28 GLY HN . 16814 1 300 . 1 1 28 28 GLY HA2 H 1 3.930 . . 2 . . . . 28 GLY HA1 . 16814 1 301 . 1 1 28 28 GLY HA3 H 1 3.930 . . 2 . . . . 28 GLY HA2 . 16814 1 302 . 1 1 28 28 GLY C C 13 174.120 . . 1 . . . . 28 GLY C . 16814 1 303 . 1 1 28 28 GLY CA C 13 45.125 . . 1 . . . . 28 GLY CA . 16814 1 304 . 1 1 28 28 GLY N N 15 110.451 . . 1 . . . . 28 GLY N . 16814 1 stop_ save_