################################### # 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30212 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chem_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-1H TOCSY' . . . 30212 1 2 '2D 1H-1H NOESY' . . . 30212 1 3 '2D 1H-15N HSQC' . . . 30212 1 4 '2D 1H-13C HSQC' . . . 30212 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 GLY HA2 H 1 4.110 . . . . . . . A 1 GLY HA2 . 30212 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.957 . . . . . . . A 1 GLY HA3 . 30212 1 3 . 1 . 1 1 1 GLY CA C 13 43.496 . . . . . . . A 1 GLY CA . 30212 1 4 . 1 . 1 2 2 VAL H H 1 8.145 . . . . . . . A 2 VAL H . 30212 1 5 . 1 . 1 2 2 VAL HA H 1 3.863 . . . . . . . A 2 VAL HA . 30212 1 6 . 1 . 1 2 2 VAL HB H 1 2.112 . . . . . . . A 2 VAL HB . 30212 1 7 . 1 . 1 2 2 VAL HG11 H 1 1.115 . . . . . . . A 2 VAL HG11 . 30212 1 8 . 1 . 1 2 2 VAL HG12 H 1 1.115 . . . . . . . A 2 VAL HG12 . 30212 1 9 . 1 . 1 2 2 VAL HG13 H 1 1.115 . . . . . . . A 2 VAL HG13 . 30212 1 10 . 1 . 1 2 2 VAL HG21 H 1 1.034 . . . . . . . A 2 VAL HG21 . 30212 1 11 . 1 . 1 2 2 VAL HG22 H 1 1.034 . . . . . . . A 2 VAL HG22 . 30212 1 12 . 1 . 1 2 2 VAL HG23 H 1 1.034 . . . . . . . A 2 VAL HG23 . 30212 1 13 . 1 . 1 2 2 VAL CA C 13 66.340 . . . . . . . A 2 VAL CA . 30212 1 14 . 1 . 1 2 2 VAL CB C 13 31.383 . . . . . . . A 2 VAL CB . 30212 1 15 . 1 . 1 2 2 VAL CG1 C 13 21.157 . . . . . . . A 2 VAL CG1 . 30212 1 16 . 1 . 1 2 2 VAL CG2 C 13 20.054 . . . . . . . A 2 VAL CG2 . 30212 1 17 . 1 . 1 3 3 VAL H H 1 8.141 . . . . . . . A 3 VAL H . 30212 1 18 . 1 . 1 3 3 VAL HA H 1 3.791 . . . . . . . A 3 VAL HA . 30212 1 19 . 1 . 1 3 3 VAL HB H 1 2.110 . . . . . . . A 3 VAL HB . 30212 1 20 . 1 . 1 3 3 VAL HG11 H 1 1.078 . . . . . . . A 3 VAL HG11 . 30212 1 21 . 1 . 1 3 3 VAL HG12 H 1 1.078 . . . . . . . A 3 VAL HG12 . 30212 1 22 . 1 . 1 3 3 VAL HG13 H 1 1.078 . . . . . . . A 3 VAL HG13 . 30212 1 23 . 1 . 1 3 3 VAL HG21 H 1 0.996 . . . . . . . A 3 VAL HG21 . 30212 1 24 . 1 . 1 3 3 VAL HG22 H 1 0.996 . . . . . . . A 3 VAL HG22 . 30212 1 25 . 1 . 1 3 3 VAL HG23 H 1 0.996 . . . . . . . A 3 VAL HG23 . 30212 1 26 . 1 . 1 3 3 VAL CA C 13 66.067 . . . . . . . A 3 VAL CA . 30212 1 27 . 1 . 1 3 3 VAL CB C 13 32.048 . . . . . . . A 3 VAL CB . 30212 1 28 . 1 . 1 3 3 VAL CG1 C 13 21.793 . . . . . . . A 3 VAL CG1 . 30212 1 29 . 1 . 1 3 3 VAL CG2 C 13 20.655 . . . . . . . A 3 VAL CG2 . 30212 1 30 . 1 . 1 3 3 VAL N N 15 121.682 . . . . . . . A 3 VAL N . 30212 1 31 . 1 . 1 4 4 ASP H H 1 7.426 . . . . . . . A 4 ASP H . 30212 1 32 . 1 . 1 4 4 ASP HA H 1 4.391 . . . . . . . A 4 ASP HA . 30212 1 33 . 1 . 1 4 4 ASP HB2 H 1 2.845 . . . . . . . A 4 ASP HB2 . 30212 1 34 . 1 . 1 4 4 ASP HB3 H 1 2.761 . . . . . . . A 4 ASP HB3 . 30212 1 35 . 1 . 1 4 4 ASP CA C 13 57.327 . . . . . . . A 4 ASP CA . 30212 1 36 . 1 . 1 4 4 ASP CB C 13 41.052 . . . . . . . A 4 ASP CB . 30212 1 37 . 1 . 1 4 4 ASP N N 15 117.387 . . . . . . . A 4 ASP N . 30212 1 38 . 1 . 1 5 5 ILE H H 1 7.614 . . . . . . . A 5 ILE H . 30212 1 39 . 1 . 1 5 5 ILE HA H 1 3.867 . . . . . . . A 5 ILE HA . 30212 1 40 . 1 . 1 5 5 ILE HB H 1 2.171 . . . . . . . A 5 ILE HB . 30212 1 41 . 1 . 1 5 5 ILE HG12 H 1 1.732 . . . . . . . A 5 ILE HG12 . 30212 1 42 . 1 . 1 5 5 ILE HG13 H 1 1.248 . . . . . . . A 5 ILE HG13 . 30212 1 43 . 1 . 1 5 5 ILE HG21 H 1 0.976 . . . . . . . A 5 ILE HG21 . 30212 1 44 . 1 . 1 5 5 ILE HG22 H 1 0.976 . . . . . . . A 5 ILE HG22 . 30212 1 45 . 1 . 1 5 5 ILE HG23 H 1 0.976 . . . . . . . A 5 ILE HG23 . 30212 1 46 . 1 . 1 5 5 ILE HD11 H 1 0.910 . . . . . . . A 5 ILE HD11 . 30212 1 47 . 1 . 1 5 5 ILE HD12 H 1 0.910 . . . . . . . A 5 ILE HD12 . 30212 1 48 . 1 . 1 5 5 ILE HD13 H 1 0.910 . . . . . . . A 5 ILE HD13 . 30212 1 49 . 1 . 1 5 5 ILE CA C 13 64.396 . . . . . . . A 5 ILE CA . 30212 1 50 . 1 . 1 5 5 ILE CB C 13 37.862 . . . . . . . A 5 ILE CB . 30212 1 51 . 1 . 1 5 5 ILE CG1 C 13 28.135 . . . . . . . A 5 ILE CG1 . 30212 1 52 . 1 . 1 5 5 ILE CG2 C 13 16.331 . . . . . . . A 5 ILE CG2 . 30212 1 53 . 1 . 1 5 5 ILE CD1 C 13 12.004 . . . . . . . A 5 ILE CD1 . 30212 1 54 . 1 . 1 5 5 ILE N N 15 120.551 . . . . . . . A 5 ILE N . 30212 1 55 . 1 . 1 6 6 LEU H H 1 8.104 . . . . . . . A 6 LEU H . 30212 1 56 . 1 . 1 6 6 LEU HA H 1 4.160 . . . . . . . A 6 LEU HA . 30212 1 57 . 1 . 1 6 6 LEU HB2 H 1 1.946 . . . . . . . A 6 LEU HB2 . 30212 1 58 . 1 . 1 6 6 LEU HB3 H 1 1.592 . . . . . . . A 6 LEU HB3 . 30212 1 59 . 1 . 1 6 6 LEU HG H 1 1.888 . . . . . . . A 6 LEU HG . 30212 1 60 . 1 . 1 6 6 LEU HD11 H 1 0.923 . . . . . . . A 6 LEU HD11 . 30212 1 61 . 1 . 1 6 6 LEU HD12 H 1 0.923 . . . . . . . A 6 LEU HD12 . 30212 1 62 . 1 . 1 6 6 LEU HD13 H 1 0.923 . . . . . . . A 6 LEU HD13 . 30212 1 63 . 1 . 1 6 6 LEU HD21 H 1 0.890 . . . . . . . A 6 LEU HD21 . 30212 1 64 . 1 . 1 6 6 LEU HD22 H 1 0.890 . . . . . . . A 6 LEU HD22 . 30212 1 65 . 1 . 1 6 6 LEU HD23 H 1 0.890 . . . . . . . A 6 LEU HD23 . 30212 1 66 . 1 . 1 6 6 LEU CA C 13 58.080 . . . . . . . A 6 LEU CA . 30212 1 67 . 1 . 1 6 6 LEU CB C 13 41.532 . . . . . . . A 6 LEU CB . 30212 1 68 . 1 . 1 6 6 LEU CG C 13 26.719 . . . . . . . A 6 LEU CG . 30212 1 69 . 1 . 1 6 6 LEU CD1 C 13 22.608 . . . . . . . A 6 LEU CD1 . 30212 1 70 . 1 . 1 6 6 LEU CD2 C 13 21.741 . . . . . . . A 6 LEU CD2 . 30212 1 71 . 1 . 1 6 6 LEU N N 15 120.402 . . . . . . . A 6 LEU N . 30212 1 72 . 1 . 1 7 7 LYS H H 1 8.437 . . . . . . . A 7 LYS H . 30212 1 73 . 1 . 1 7 7 LYS HA H 1 4.085 . . . . . . . A 7 LYS HA . 30212 1 74 . 1 . 1 7 7 LYS HB2 H 1 1.988 . . . . . . . A 7 LYS HB2 . 30212 1 75 . 1 . 1 7 7 LYS HB3 H 1 1.928 . . . . . . . A 7 LYS HB3 . 30212 1 76 . 1 . 1 7 7 LYS HG2 H 1 1.767 . . . . . . . A 7 LYS HG2 . 30212 1 77 . 1 . 1 7 7 LYS HG3 H 1 1.478 . . . . . . . A 7 LYS HG3 . 30212 1 78 . 1 . 1 7 7 LYS HD3 H 1 1.758 . . . . . . . A 7 LYS HD3 . 30212 1 79 . 1 . 1 7 7 LYS HE2 H 1 2.968 . . . . . . . A 7 LYS HE2 . 30212 1 80 . 1 . 1 7 7 LYS HE3 H 1 3.040 . . . . . . . A 7 LYS HE3 . 30212 1 81 . 1 . 1 7 7 LYS CA C 13 59.621 . . . . . . . A 7 LYS CA . 30212 1 82 . 1 . 1 7 7 LYS CB C 13 32.662 . . . . . . . A 7 LYS CB . 30212 1 83 . 1 . 1 7 7 LYS CG C 13 25.517 . . . . . . . A 7 LYS CG . 30212 1 84 . 1 . 1 7 7 LYS CD C 13 29.357 . . . . . . . A 7 LYS CD . 30212 1 85 . 1 . 1 7 7 LYS CE C 13 42.126 . . . . . . . A 7 LYS CE . 30212 1 86 . 1 . 1 7 7 LYS N N 15 117.855 . . . . . . . A 7 LYS N . 30212 1 87 . 1 . 1 8 8 GLY H H 1 7.998 . . . . . . . A 8 GLY H . 30212 1 88 . 1 . 1 8 8 GLY HA2 H 1 3.945 . . . . . . . A 8 GLY HA2 . 30212 1 89 . 1 . 1 8 8 GLY HA3 H 1 3.868 . . . . . . . A 8 GLY HA3 . 30212 1 90 . 1 . 1 8 8 GLY CA C 13 46.819 . . . . . . . A 8 GLY CA . 30212 1 91 . 1 . 1 8 8 GLY N N 15 106.820 . . . . . . . A 8 GLY N . 30212 1 92 . 1 . 1 9 9 ALA H H 1 8.355 . . . . . . . A 9 ALA H . 30212 1 93 . 1 . 1 9 9 ALA HA H 1 4.336 . . . . . . . A 9 ALA HA . 30212 1 94 . 1 . 1 9 9 ALA HB1 H 1 1.568 . . . . . . . A 9 ALA HB1 . 30212 1 95 . 1 . 1 9 9 ALA HB2 H 1 1.568 . . . . . . . A 9 ALA HB2 . 30212 1 96 . 1 . 1 9 9 ALA HB3 H 1 1.568 . . . . . . . A 9 ALA HB3 . 30212 1 97 . 1 . 1 9 9 ALA CA C 13 54.808 . . . . . . . A 9 ALA CA . 30212 1 98 . 1 . 1 9 9 ALA CB C 13 17.874 . . . . . . . A 9 ALA CB . 30212 1 99 . 1 . 1 9 9 ALA N N 15 125.131 . . . . . . . A 9 ALA N . 30212 1 100 . 1 . 1 10 10 ALA H H 1 8.212 . . . . . . . A 10 ALA H . 30212 1 101 . 1 . 1 10 10 ALA HA H 1 4.131 . . . . . . . A 10 ALA HA . 30212 1 102 . 1 . 1 10 10 ALA HB1 H 1 1.568 . . . . . . . A 10 ALA HB1 . 30212 1 103 . 1 . 1 10 10 ALA HB2 H 1 1.568 . . . . . . . A 10 ALA HB2 . 30212 1 104 . 1 . 1 10 10 ALA HB3 H 1 1.568 . . . . . . . A 10 ALA HB3 . 30212 1 105 . 1 . 1 10 10 ALA CA C 13 55.714 . . . . . . . A 10 ALA CA . 30212 1 106 . 1 . 1 10 10 ALA CB C 13 17.629 . . . . . . . A 10 ALA CB . 30212 1 107 . 1 . 1 10 10 ALA N N 15 119.948 . . . . . . . A 10 ALA N . 30212 1 108 . 1 . 1 11 11 LYS H H 1 7.898 . . . . . . . A 11 LYS H . 30212 1 109 . 1 . 1 11 11 LYS HA H 1 4.129 . . . . . . . A 11 LYS HA . 30212 1 110 . 1 . 1 11 11 LYS HB2 H 1 2.022 . . . . . . . A 11 LYS HB2 . 30212 1 111 . 1 . 1 11 11 LYS HB3 H 1 1.922 . . . . . . . A 11 LYS HB3 . 30212 1 112 . 1 . 1 11 11 LYS HG2 H 1 1.565 . . . . . . . A 11 LYS HG2 . 30212 1 113 . 1 . 1 11 11 LYS HG3 H 1 1.517 . . . . . . . A 11 LYS HG3 . 30212 1 114 . 1 . 1 11 11 LYS HD2 H 1 1.682 . . . . . . . A 11 LYS HD2 . 30212 1 115 . 1 . 1 11 11 LYS HD3 H 1 1.539 . . . . . . . A 11 LYS HD3 . 30212 1 116 . 1 . 1 11 11 LYS HE2 H 1 3.053 . . . . . . . A 11 LYS HE2 . 30212 1 117 . 1 . 1 11 11 LYS HE3 H 1 2.973 . . . . . . . A 11 LYS HE3 . 30212 1 118 . 1 . 1 11 11 LYS CA C 13 59.192 . . . . . . . A 11 LYS CA . 30212 1 119 . 1 . 1 11 11 LYS CB C 13 32.170 . . . . . . . A 11 LYS CB . 30212 1 120 . 1 . 1 11 11 LYS CG C 13 24.607 . . . . . . . A 11 LYS CG . 30212 1 121 . 1 . 1 11 11 LYS CD C 13 24.832 . . . . . . . A 11 LYS CD . 30212 1 122 . 1 . 1 11 11 LYS CE C 13 42.173 . . . . . . . A 11 LYS CE . 30212 1 123 . 1 . 1 11 11 LYS N N 15 117.053 . . . . . . . A 11 LYS N . 30212 1 124 . 1 . 1 12 12 ASP H H 1 8.047 . . . . . . . A 12 ASP H . 30212 1 125 . 1 . 1 12 12 ASP HA H 1 4.631 . . . . . . . A 12 ASP HA . 30212 1 126 . 1 . 1 12 12 ASP HB2 H 1 2.936 . . . . . . . A 12 ASP HB2 . 30212 1 127 . 1 . 1 12 12 ASP HB3 H 1 2.843 . . . . . . . A 12 ASP HB3 . 30212 1 128 . 1 . 1 12 12 ASP CA C 13 56.936 . . . . . . . A 12 ASP CA . 30212 1 129 . 1 . 1 12 12 ASP CB C 13 40.829 . . . . . . . A 12 ASP CB . 30212 1 130 . 1 . 1 12 12 ASP N N 15 121.253 . . . . . . . A 12 ASP N . 30212 1 131 . 1 . 1 13 13 ILE H H 1 8.505 . . . . . . . A 13 ILE H . 30212 1 132 . 1 . 1 13 13 ILE HA H 1 3.829 . . . . . . . A 13 ILE HA . 30212 1 133 . 1 . 1 13 13 ILE HB H 1 1.990 . . . . . . . A 13 ILE HB . 30212 1 134 . 1 . 1 13 13 ILE HG12 H 1 1.838 . . . . . . . A 13 ILE HG12 . 30212 1 135 . 1 . 1 13 13 ILE HG13 H 1 1.162 . . . . . . . A 13 ILE HG13 . 30212 1 136 . 1 . 1 13 13 ILE HG21 H 1 0.999 . . . . . . . A 13 ILE HG21 . 30212 1 137 . 1 . 1 13 13 ILE HG22 H 1 0.999 . . . . . . . A 13 ILE HG22 . 30212 1 138 . 1 . 1 13 13 ILE HG23 H 1 0.999 . . . . . . . A 13 ILE HG23 . 30212 1 139 . 1 . 1 13 13 ILE HD11 H 1 0.898 . . . . . . . A 13 ILE HD11 . 30212 1 140 . 1 . 1 13 13 ILE HD12 H 1 0.898 . . . . . . . A 13 ILE HD12 . 30212 1 141 . 1 . 1 13 13 ILE HD13 H 1 0.898 . . . . . . . A 13 ILE HD13 . 30212 1 142 . 1 . 1 13 13 ILE CA C 13 65.415 . . . . . . . A 13 ILE CA . 30212 1 143 . 1 . 1 13 13 ILE CB C 13 39.303 . . . . . . . A 13 ILE CB . 30212 1 144 . 1 . 1 13 13 ILE CG1 C 13 28.911 . . . . . . . A 13 ILE CG1 . 30212 1 145 . 1 . 1 13 13 ILE CG2 C 13 16.449 . . . . . . . A 13 ILE CG2 . 30212 1 146 . 1 . 1 13 13 ILE CD1 C 13 12.320 . . . . . . . A 13 ILE CD1 . 30212 1 147 . 1 . 1 13 13 ILE N N 15 122.742 . . . . . . . A 13 ILE N . 30212 1 148 . 1 . 1 14 14 ALA H H 1 8.416 . . . . . . . A 14 ALA H . 30212 1 149 . 1 . 1 14 14 ALA HA H 1 4.130 . . . . . . . A 14 ALA HA . 30212 1 150 . 1 . 1 14 14 ALA HB1 H 1 1.569 . . . . . . . A 14 ALA HB1 . 30212 1 151 . 1 . 1 14 14 ALA HB2 H 1 1.569 . . . . . . . A 14 ALA HB2 . 30212 1 152 . 1 . 1 14 14 ALA HB3 H 1 1.569 . . . . . . . A 14 ALA HB3 . 30212 1 153 . 1 . 1 14 14 ALA CA C 13 55.220 . . . . . . . A 14 ALA CA . 30212 1 154 . 1 . 1 14 14 ALA CB C 13 17.643 . . . . . . . A 14 ALA CB . 30212 1 155 . 1 . 1 14 14 ALA N N 15 122.066 . . . . . . . A 14 ALA N . 30212 1 156 . 1 . 1 15 15 GLY H H 1 8.278 . . . . . . . A 15 GLY H . 30212 1 157 . 1 . 1 15 15 GLY HA2 H 1 3.978 . . . . . . . A 15 GLY HA2 . 30212 1 158 . 1 . 1 15 15 GLY HA3 H 1 3.888 . . . . . . . A 15 GLY HA3 . 30212 1 159 . 1 . 1 15 15 GLY CA C 13 46.838 . . . . . . . A 15 GLY CA . 30212 1 160 . 1 . 1 15 15 GLY N N 15 117.600 . . . . . . . A 15 GLY N . 30212 1 161 . 1 . 1 16 16 HIS H H 1 8.151 . . . . . . . A 16 HIS H . 30212 1 162 . 1 . 1 16 16 HIS HA H 1 4.425 . . . . . . . A 16 HIS HA . 30212 1 163 . 1 . 1 16 16 HIS HB2 H 1 3.363 . . . . . . . A 16 HIS HB2 . 30212 1 164 . 1 . 1 16 16 HIS HD2 H 1 7.094 . . . . . . . A 16 HIS HD2 . 30212 1 165 . 1 . 1 16 16 HIS CA C 13 59.856 . . . . . . . A 16 HIS CA . 30212 1 166 . 1 . 1 16 16 HIS CB C 13 29.071 . . . . . . . A 16 HIS CB . 30212 1 167 . 1 . 1 16 16 HIS N N 15 118.050 . . . . . . . A 16 HIS N . 30212 1 168 . 1 . 1 17 17 LEU H H 1 8.634 . . . . . . . A 17 LEU H . 30212 1 169 . 1 . 1 17 17 LEU HA H 1 4.138 . . . . . . . A 17 LEU HA . 30212 1 170 . 1 . 1 17 17 LEU HB2 H 1 1.921 . . . . . . . A 17 LEU HB2 . 30212 1 171 . 1 . 1 17 17 LEU HB3 H 1 1.668 . . . . . . . A 17 LEU HB3 . 30212 1 172 . 1 . 1 17 17 LEU HG H 1 1.875 . . . . . . . A 17 LEU HG . 30212 1 173 . 1 . 1 17 17 LEU HD11 H 1 0.944 . . . . . . . A 17 LEU HD11 . 30212 1 174 . 1 . 1 17 17 LEU HD12 H 1 0.944 . . . . . . . A 17 LEU HD12 . 30212 1 175 . 1 . 1 17 17 LEU HD13 H 1 0.944 . . . . . . . A 17 LEU HD13 . 30212 1 176 . 1 . 1 17 17 LEU HD21 H 1 0.922 . . . . . . . A 17 LEU HD21 . 30212 1 177 . 1 . 1 17 17 LEU HD22 H 1 0.922 . . . . . . . A 17 LEU HD22 . 30212 1 178 . 1 . 1 17 17 LEU HD23 H 1 0.922 . . . . . . . A 17 LEU HD23 . 30212 1 179 . 1 . 1 17 17 LEU CA C 13 58.292 . . . . . . . A 17 LEU CA . 30212 1 180 . 1 . 1 17 17 LEU CB C 13 41.679 . . . . . . . A 17 LEU CB . 30212 1 181 . 1 . 1 17 17 LEU CG C 13 26.848 . . . . . . . A 17 LEU CG . 30212 1 182 . 1 . 1 17 17 LEU CD1 C 13 24.168 . . . . . . . A 17 LEU CD1 . 30212 1 183 . 1 . 1 17 17 LEU CD2 C 13 24.587 . . . . . . . A 17 LEU CD2 . 30212 1 184 . 1 . 1 17 17 LEU N N 15 121.458 . . . . . . . A 17 LEU N . 30212 1 185 . 1 . 1 18 18 ALA H H 1 8.544 . . . . . . . A 18 ALA H . 30212 1 186 . 1 . 1 18 18 ALA HA H 1 4.088 . . . . . . . A 18 ALA HA . 30212 1 187 . 1 . 1 18 18 ALA HB1 H 1 1.544 . . . . . . . A 18 ALA HB1 . 30212 1 188 . 1 . 1 18 18 ALA HB2 H 1 1.544 . . . . . . . A 18 ALA HB2 . 30212 1 189 . 1 . 1 18 18 ALA HB3 H 1 1.544 . . . . . . . A 18 ALA HB3 . 30212 1 190 . 1 . 1 18 18 ALA CA C 13 55.306 . . . . . . . A 18 ALA CA . 30212 1 191 . 1 . 1 18 18 ALA CB C 13 17.531 . . . . . . . A 18 ALA CB . 30212 1 192 . 1 . 1 18 18 ALA N N 15 120.556 . . . . . . . A 18 ALA N . 30212 1 193 . 1 . 1 19 19 SER H H 1 7.846 . . . . . . . A 19 SER H . 30212 1 194 . 1 . 1 19 19 SER HA H 1 4.213 . . . . . . . A 19 SER HA . 30212 1 195 . 1 . 1 19 19 SER HB2 H 1 4.059 . . . . . . . A 19 SER HB2 . 30212 1 196 . 1 . 1 19 19 SER CA C 13 61.414 . . . . . . . A 19 SER CA . 30212 1 197 . 1 . 1 19 19 SER CB C 13 63.114 . . . . . . . A 19 SER CB . 30212 1 198 . 1 . 1 19 19 SER N N 15 111.184 . . . . . . . A 19 SER N . 30212 1 199 . 1 . 1 20 20 LYS H H 1 8.281 . . . . . . . A 20 LYS H . 30212 1 200 . 1 . 1 20 20 LYS HA H 1 4.380 . . . . . . . A 20 LYS HA . 30212 1 201 . 1 . 1 20 20 LYS HB2 H 1 2.725 . . . . . . . A 20 LYS HB2 . 30212 1 202 . 1 . 1 20 20 LYS HB3 H 1 2.623 . . . . . . . A 20 LYS HB3 . 30212 1 203 . 1 . 1 20 20 LYS HG2 H 1 1.572 . . . . . . . A 20 LYS HG2 . 30212 1 204 . 1 . 1 20 20 LYS HG3 H 1 1.499 . . . . . . . A 20 LYS HG3 . 30212 1 205 . 1 . 1 20 20 LYS HD2 H 1 2.152 . . . . . . . A 20 LYS HD2 . 30212 1 206 . 1 . 1 20 20 LYS HE3 H 1 2.978 . . . . . . . A 20 LYS HE3 . 30212 1 207 . 1 . 1 20 20 LYS CA C 13 57.028 . . . . . . . A 20 LYS CA . 30212 1 208 . 1 . 1 20 20 LYS CB C 13 32.236 . . . . . . . A 20 LYS CB . 30212 1 209 . 1 . 1 20 20 LYS CG C 13 24.444 . . . . . . . A 20 LYS CG . 30212 1 210 . 1 . 1 20 20 LYS CD C 13 32.433 . . . . . . . A 20 LYS CD . 30212 1 211 . 1 . 1 20 20 LYS CE C 13 42.093 . . . . . . . A 20 LYS CE . 30212 1 212 . 1 . 1 20 20 LYS N N 15 117.628 . . . . . . . A 20 LYS N . 30212 1 213 . 1 . 1 21 21 VAL H H 1 8.082 . . . . . . . A 21 VAL H . 30212 1 214 . 1 . 1 21 21 VAL HA H 1 3.872 . . . . . . . A 21 VAL HA . 30212 1 215 . 1 . 1 21 21 VAL HB H 1 2.233 . . . . . . . A 21 VAL HB . 30212 1 216 . 1 . 1 21 21 VAL HG11 H 1 1.075 . . . . . . . A 21 VAL HG11 . 30212 1 217 . 1 . 1 21 21 VAL HG12 H 1 1.075 . . . . . . . A 21 VAL HG12 . 30212 1 218 . 1 . 1 21 21 VAL HG13 H 1 1.075 . . . . . . . A 21 VAL HG13 . 30212 1 219 . 1 . 1 21 21 VAL HG21 H 1 0.991 . . . . . . . A 21 VAL HG21 . 30212 1 220 . 1 . 1 21 21 VAL HG22 H 1 0.991 . . . . . . . A 21 VAL HG22 . 30212 1 221 . 1 . 1 21 21 VAL HG23 H 1 0.991 . . . . . . . A 21 VAL HG23 . 30212 1 222 . 1 . 1 21 21 VAL CA C 13 65.279 . . . . . . . A 21 VAL CA . 30212 1 223 . 1 . 1 21 21 VAL CB C 13 32.242 . . . . . . . A 21 VAL CB . 30212 1 224 . 1 . 1 21 21 VAL CG1 C 13 21.132 . . . . . . . A 21 VAL CG1 . 30212 1 225 . 1 . 1 21 21 VAL CG2 C 13 20.655 . . . . . . . A 21 VAL CG2 . 30212 1 226 . 1 . 1 21 21 VAL N N 15 118.551 . . . . . . . A 21 VAL N . 30212 1 227 . 1 . 1 22 22 MET H H 1 7.822 . . . . . . . A 22 MET H . 30212 1 228 . 1 . 1 22 22 MET HA H 1 4.233 . . . . . . . A 22 MET HA . 30212 1 229 . 1 . 1 22 22 MET HB2 H 1 1.709 . . . . . . . A 22 MET HB2 . 30212 1 230 . 1 . 1 22 22 MET HB3 H 1 1.505 . . . . . . . A 22 MET HB3 . 30212 1 231 . 1 . 1 22 22 MET HG2 H 1 2.035 . . . . . . . A 22 MET HG2 . 30212 1 232 . 1 . 1 22 22 MET CA C 13 58.352 . . . . . . . A 22 MET CA . 30212 1 233 . 1 . 1 22 22 MET CB C 13 28.748 . . . . . . . A 22 MET CB . 30212 1 234 . 1 . 1 22 22 MET CG C 13 32.011 . . . . . . . A 22 MET CG . 30212 1 235 . 1 . 1 22 22 MET N N 15 121.613 . . . . . . . A 22 MET N . 30212 1 236 . 1 . 1 23 23 ASN H H 1 7.844 . . . . . . . A 23 ASN H . 30212 1 237 . 1 . 1 23 23 ASN HA H 1 4.371 . . . . . . . A 23 ASN HA . 30212 1 238 . 1 . 1 23 23 ASN HB2 H 1 2.903 . . . . . . . A 23 ASN HB2 . 30212 1 239 . 1 . 1 23 23 ASN HB3 H 1 2.834 . . . . . . . A 23 ASN HB3 . 30212 1 240 . 1 . 1 23 23 ASN HD21 H 1 7.631 . . . . . . . A 23 ASN HD21 . 30212 1 241 . 1 . 1 23 23 ASN HD22 H 1 6.697 . . . . . . . A 23 ASN HD22 . 30212 1 242 . 1 . 1 23 23 ASN CA C 13 57.125 . . . . . . . A 23 ASN CA . 30212 1 243 . 1 . 1 23 23 ASN CB C 13 39.518 . . . . . . . A 23 ASN CB . 30212 1 244 . 1 . 1 23 23 ASN N N 15 116.941 . . . . . . . A 23 ASN N . 30212 1 245 . 1 . 1 23 23 ASN ND2 N 15 111.833 . . . . . . . A 23 ASN ND2 . 30212 1 stop_ save_