################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18937 _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-1H TOCSY' . . . 18937 1 3 '2D 1H-13C HSQC' . . . 18937 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 GLY HA2 H 1 4.091 0.01 . 1 . . . A 1 GLY HA2 . 18937 1 2 . 1 1 1 1 GLY HA3 H 1 3.751 0.01 . 1 . . . A 1 GLY HA3 . 18937 1 3 . 1 1 1 1 GLY H H 1 8.527 0.01 . 1 . . . A 1 GLY H1 . 18937 1 4 . 1 1 1 1 GLY CA C 13 45.245 0.01 . 1 . . . A 1 GLY CA . 18937 1 5 . 1 1 2 2 VAL H H 1 7.884 0.01 . 1 . . . A 2 VAL H . 18937 1 6 . 1 1 2 2 VAL HA H 1 4.186 0.01 . 1 . . . A 2 VAL HA . 18937 1 7 . 1 1 2 2 VAL HB H 1 2.091 0.01 . 1 . . . A 2 VAL HB . 18937 1 8 . 1 1 2 2 VAL HG11 H 1 0.918 0.01 . 1 . . . A 2 VAL HG11 . 18937 1 9 . 1 1 2 2 VAL HG12 H 1 0.918 0.01 . 1 . . . A 2 VAL HG12 . 18937 1 10 . 1 1 2 2 VAL HG13 H 1 0.918 0.01 . 1 . . . A 2 VAL HG13 . 18937 1 11 . 1 1 2 2 VAL HG21 H 1 0.918 0.01 . 1 . . . A 2 VAL HG21 . 18937 1 12 . 1 1 2 2 VAL HG22 H 1 0.918 0.01 . 1 . . . A 2 VAL HG22 . 18937 1 13 . 1 1 2 2 VAL HG23 H 1 0.918 0.01 . 1 . . . A 2 VAL HG23 . 18937 1 14 . 1 1 2 2 VAL CA C 13 61.793 0.01 . 1 . . . A 2 VAL CA . 18937 1 15 . 1 1 2 2 VAL CB C 13 33.112 0.01 . 1 . . . A 2 VAL CB . 18937 1 16 . 1 1 2 2 VAL CG1 C 13 20.787 0.01 . 1 . . . A 2 VAL CG1 . 18937 1 17 . 1 1 2 2 VAL CG2 C 13 20.787 0.01 . 1 . . . A 2 VAL CG2 . 18937 1 18 . 1 1 3 3 ABA CA C 13 58.023 0.01 . 1 . . . A 3 ABA CA . 18937 1 19 . 1 1 3 3 ABA CB C 13 27.356 0.01 . 1 . . . A 3 ABA CB . 18937 1 20 . 1 1 3 3 ABA H H 1 8.435 0.01 . 1 . . . A 3 ABA H . 18937 1 21 . 1 1 3 3 ABA HA H 1 4.330 0.01 . 1 . . . A 3 ABA HA . 18937 1 22 . 1 1 3 3 ABA HG1 H 1 0.893 0.01 . 1 . . . A 3 ABA HG . 18937 1 23 . 1 1 3 3 ABA HG2 H 1 0.893 0.01 . 1 . . . A 3 ABA HG . 18937 1 24 . 1 1 3 3 ABA HG3 H 1 0.893 0.01 . 1 . . . A 3 ABA HG . 18937 1 25 . 1 1 3 3 ABA HB2 H 1 1.724 0.01 . 1 . . . A 3 ABA QB . 18937 1 26 . 1 1 3 3 ABA HB3 H 1 1.724 0.01 . 1 . . . A 3 ABA QB . 18937 1 27 . 1 1 4 4 ARG H H 1 8.449 0.01 . 1 . . . A 4 ARG H . 18937 1 28 . 1 1 4 4 ARG HA H 1 4.434 0.01 . 1 . . . A 4 ARG HA . 18937 1 29 . 1 1 4 4 ARG HB2 H 1 1.737 0.01 . 1 . . . A 4 ARG HB2 . 18937 1 30 . 1 1 4 4 ARG HB3 H 1 1.784 0.01 . 1 . . . A 4 ARG HB3 . 18937 1 31 . 1 1 4 4 ARG HG2 H 1 1.603 0.01 . 1 . . . A 4 ARG HG2 . 18937 1 32 . 1 1 4 4 ARG HG3 H 1 1.603 0.01 . 1 . . . A 4 ARG HG3 . 18937 1 33 . 1 1 4 4 ARG HD2 H 1 3.185 0.01 . 1 . . . A 4 ARG HD2 . 18937 1 34 . 1 1 4 4 ARG HD3 H 1 3.185 0.01 . 1 . . . A 4 ARG HD3 . 18937 1 35 . 1 1 4 4 ARG HE H 1 7.187 0.01 . 1 . . . A 4 ARG HE . 18937 1 36 . 1 1 4 4 ARG CA C 13 55.511 0.01 . 1 . . . A 4 ARG CA . 18937 1 37 . 1 1 4 4 ARG CB C 13 31.551 0.01 . 1 . . . A 4 ARG CB . 18937 1 38 . 1 1 4 4 ARG CG C 13 26.987 0.01 . 1 . . . A 4 ARG CG . 18937 1 39 . 1 1 4 4 ARG CD C 13 43.307 0.01 . 1 . . . A 4 ARG CD . 18937 1 40 . 1 1 5 5 ABA CA C 13 57.625 0.01 . 1 . . . A 5 ABA CA . 18937 1 41 . 1 1 5 5 ABA CB C 13 27.734 0.01 . 1 . . . A 5 ABA CB . 18937 1 42 . 1 1 5 5 ABA H H 1 8.341 0.01 . 1 . . . A 5 ABA H . 18937 1 43 . 1 1 5 5 ABA HA H 1 4.395 0.01 . 1 . . . A 5 ABA HA . 18937 1 44 . 1 1 5 5 ABA HG1 H 1 0.868 0.01 . 1 . . . A 5 ABA HG . 18937 1 45 . 1 1 5 5 ABA HG2 H 1 0.868 0.01 . 1 . . . A 5 ABA HG . 18937 1 46 . 1 1 5 5 ABA HG3 H 1 0.868 0.01 . 1 . . . A 5 ABA HG . 18937 1 47 . 1 1 5 5 ABA HB2 H 1 1.688 0.01 . 1 . . . A 5 ABA QB . 18937 1 48 . 1 1 5 5 ABA HB3 H 1 1.688 0.01 . 1 . . . A 5 ABA QB . 18937 1 49 . 1 1 6 6 VAL H H 1 8.416 0.01 . 1 . . . A 6 VAL H . 18937 1 50 . 1 1 6 6 VAL HA H 1 4.180 0.01 . 1 . . . A 6 VAL HA . 18937 1 51 . 1 1 6 6 VAL HB H 1 2.006 0.01 . 1 . . . A 6 VAL HB . 18937 1 52 . 1 1 6 6 VAL HG11 H 1 0.901 0.01 . 1 . . . A 6 VAL HG11 . 18937 1 53 . 1 1 6 6 VAL HG12 H 1 0.901 0.01 . 1 . . . A 6 VAL HG12 . 18937 1 54 . 1 1 6 6 VAL HG13 H 1 0.901 0.01 . 1 . . . A 6 VAL HG13 . 18937 1 55 . 1 1 6 6 VAL HG21 H 1 0.901 0.01 . 1 . . . A 6 VAL HG21 . 18937 1 56 . 1 1 6 6 VAL HG22 H 1 0.901 0.01 . 1 . . . A 6 VAL HG22 . 18937 1 57 . 1 1 6 6 VAL HG23 H 1 0.901 0.01 . 1 . . . A 6 VAL HG23 . 18937 1 58 . 1 1 6 6 VAL CA C 13 61.977 0.01 . 1 . . . A 6 VAL CA . 18937 1 59 . 1 1 6 6 VAL CB C 13 33.448 0.01 . 1 . . . A 6 VAL CB . 18937 1 60 . 1 1 6 6 VAL CG1 C 13 21.095 0.01 . 1 . . . A 6 VAL CG1 . 18937 1 61 . 1 1 6 6 VAL CG2 C 13 21.095 0.01 . 1 . . . A 6 VAL CG2 . 18937 1 62 . 1 1 7 7 ABA CA C 13 57.503 0.01 . 1 . . . A 7 ABA CA . 18937 1 63 . 1 1 7 7 ABA CB C 13 27.545 0.01 . 1 . . . A 7 ABA CB . 18937 1 64 . 1 1 7 7 ABA H H 1 8.473 0.01 . 1 . . . A 7 ABA H . 18937 1 65 . 1 1 7 7 ABA HA H 1 4.402 0.01 . 1 . . . A 7 ABA HA . 18937 1 66 . 1 1 7 7 ABA HB2 H 1 1.754 0.01 . 1 . . . A 7 ABA HB2 . 18937 1 67 . 1 1 7 7 ABA HB3 H 1 1.654 0.01 . 1 . . . A 7 ABA HB3 . 18937 1 68 . 1 1 7 7 ABA HG1 H 1 0.841 0.01 . 1 . . . A 7 ABA HG . 18937 1 69 . 1 1 7 7 ABA HG2 H 1 0.841 0.01 . 1 . . . A 7 ABA HG . 18937 1 70 . 1 1 7 7 ABA HG3 H 1 0.841 0.01 . 1 . . . A 7 ABA HG . 18937 1 71 . 1 1 8 8 ARG H H 1 8.381 0.01 . 1 . . . A 8 ARG H . 18937 1 72 . 1 1 8 8 ARG HA H 1 4.425 0.01 . 1 . . . A 8 ARG HA . 18937 1 73 . 1 1 8 8 ARG HB2 H 1 1.816 0.01 . 1 . . . A 8 ARG HB2 . 18937 1 74 . 1 1 8 8 ARG HB3 H 1 1.731 0.01 . 1 . . . A 8 ARG HB3 . 18937 1 75 . 1 1 8 8 ARG HG2 H 1 1.573 0.01 . 1 . . . A 8 ARG HG2 . 18937 1 76 . 1 1 8 8 ARG HG3 H 1 1.631 0.01 . 1 . . . A 8 ARG HG3 . 18937 1 77 . 1 1 8 8 ARG HD2 H 1 3.188 0.01 . 1 . . . A 8 ARG HD2 . 18937 1 78 . 1 1 8 8 ARG HD3 H 1 3.188 0.01 . 1 . . . A 8 ARG HD3 . 18937 1 79 . 1 1 8 8 ARG HE H 1 7.205 0.01 . 1 . . . A 8 ARG HE . 18937 1 80 . 1 1 8 8 ARG CA C 13 57.840 0.01 . 1 . . . A 8 ARG CA . 18937 1 81 . 1 1 8 8 ARG CB C 13 31.675 0.01 . 1 . . . A 8 ARG CB . 18937 1 82 . 1 1 8 8 ARG CG C 13 27.269 0.01 . 1 . . . A 8 ARG CG . 18937 1 83 . 1 1 8 8 ARG CD C 13 43.293 0.01 . 1 . . . A 8 ARG CD . 18937 1 84 . 1 1 9 9 ARG H H 1 8.739 0.01 . 1 . . . A 9 ARG H . 18937 1 85 . 1 1 9 9 ARG HA H 1 4.178 0.01 . 1 . . . A 9 ARG HA . 18937 1 86 . 1 1 9 9 ARG HB2 H 1 1.893 0.01 . 1 . . . A 9 ARG HB2 . 18937 1 87 . 1 1 9 9 ARG HB3 H 1 1.783 0.01 . 1 . . . A 9 ARG HB3 . 18937 1 88 . 1 1 9 9 ARG HG2 H 1 1.622 0.01 . 1 . . . A 9 ARG HG2 . 18937 1 89 . 1 1 9 9 ARG HG3 H 1 1.622 0.01 . 1 . . . A 9 ARG HG3 . 18937 1 90 . 1 1 9 9 ARG HD2 H 1 3.202 0.01 . 1 . . . A 9 ARG HD2 . 18937 1 91 . 1 1 9 9 ARG HD3 H 1 3.202 0.01 . 1 . . . A 9 ARG HD3 . 18937 1 92 . 1 1 9 9 ARG HE H 1 7.201 0.01 . 1 . . . A 9 ARG HE . 18937 1 93 . 1 1 9 9 ARG CA C 13 56.614 0.01 . 1 . . . A 9 ARG CA . 18937 1 94 . 1 1 9 9 ARG CB C 13 29.835 0.01 . 1 . . . A 9 ARG CB . 18937 1 95 . 1 1 9 9 ARG CG C 13 27.538 0.01 . 1 . . . A 9 ARG CG . 18937 1 96 . 1 1 9 9 ARG CD C 13 43.213 0.01 . 1 . . . A 9 ARG CD . 18937 1 97 . 1 1 10 10 GLY H H 1 8.527 0.01 . 1 . . . A 10 GLY H . 18937 1 98 . 1 1 10 10 GLY HA2 H 1 4.091 0.01 . 1 . . . A 10 GLY HA2 . 18937 1 99 . 1 1 10 10 GLY HA3 H 1 3.751 0.01 . 1 . . . A 10 GLY HA3 . 18937 1 100 . 1 1 10 10 GLY CA C 13 45.245 0.01 . 1 . . . A 10 GLY CA . 18937 1 101 . 1 1 11 11 VAL H H 1 7.884 0.01 . 1 . . . A 11 VAL H . 18937 1 102 . 1 1 11 11 VAL HA H 1 4.186 0.01 . 1 . . . A 11 VAL HA . 18937 1 103 . 1 1 11 11 VAL HB H 1 2.091 0.01 . 1 . . . A 11 VAL HB . 18937 1 104 . 1 1 11 11 VAL HG11 H 1 0.918 0.01 . 1 . . . A 11 VAL HG11 . 18937 1 105 . 1 1 11 11 VAL HG12 H 1 0.918 0.01 . 1 . . . A 11 VAL HG12 . 18937 1 106 . 1 1 11 11 VAL HG13 H 1 0.918 0.01 . 1 . . . A 11 VAL HG13 . 18937 1 107 . 1 1 11 11 VAL HG21 H 1 0.918 0.01 . 1 . . . A 11 VAL HG21 . 18937 1 108 . 1 1 11 11 VAL HG22 H 1 0.918 0.01 . 1 . . . A 11 VAL HG22 . 18937 1 109 . 1 1 11 11 VAL HG23 H 1 0.918 0.01 . 1 . . . A 11 VAL HG23 . 18937 1 110 . 1 1 11 11 VAL CA C 13 61.793 0.01 . 1 . . . A 11 VAL CA . 18937 1 111 . 1 1 11 11 VAL CB C 13 33.112 0.01 . 1 . . . A 11 VAL CB . 18937 1 112 . 1 1 11 11 VAL CG1 C 13 20.787 0.01 . 1 . . . A 11 VAL CG1 . 18937 1 113 . 1 1 11 11 VAL CG2 C 13 20.787 0.01 . 1 . . . A 11 VAL CG2 . 18937 1 114 . 1 1 12 12 ABA CA C 13 58.023 0.01 . 1 . . . A 12 ABA CA . 18937 1 115 . 1 1 12 12 ABA CB C 13 27.356 0.01 . 1 . . . A 12 ABA CB . 18937 1 116 . 1 1 12 12 ABA H H 1 8.435 0.01 . 1 . . . A 12 ABA H . 18937 1 117 . 1 1 12 12 ABA HA H 1 4.330 0.01 . 1 . . . A 12 ABA HA . 18937 1 118 . 1 1 12 12 ABA HG1 H 1 0.893 0.01 . 1 . . . A 12 ABA HG . 18937 1 119 . 1 1 12 12 ABA HG2 H 1 0.893 0.01 . 1 . . . A 12 ABA HG . 18937 1 120 . 1 1 12 12 ABA HG3 H 1 0.893 0.01 . 1 . . . A 12 ABA HG . 18937 1 121 . 1 1 12 12 ABA HB2 H 1 1.724 0.01 . 1 . . . A 12 ABA QB . 18937 1 122 . 1 1 12 12 ABA HB3 H 1 1.724 0.01 . 1 . . . A 12 ABA QB . 18937 1 123 . 1 1 13 13 ARG H H 1 8.449 0.01 . 1 . . . A 13 ARG H . 18937 1 124 . 1 1 13 13 ARG HA H 1 4.434 0.01 . 1 . . . A 13 ARG HA . 18937 1 125 . 1 1 13 13 ARG HB2 H 1 1.737 0.01 . 1 . . . A 13 ARG HB2 . 18937 1 126 . 1 1 13 13 ARG HB3 H 1 1.784 0.01 . 1 . . . A 13 ARG HB3 . 18937 1 127 . 1 1 13 13 ARG HG2 H 1 1.603 0.01 . 1 . . . A 13 ARG HG2 . 18937 1 128 . 1 1 13 13 ARG HG3 H 1 1.603 0.01 . 1 . . . A 13 ARG HG3 . 18937 1 129 . 1 1 13 13 ARG HD2 H 1 3.185 0.01 . 1 . . . A 13 ARG HD2 . 18937 1 130 . 1 1 13 13 ARG HD3 H 1 3.185 0.01 . 1 . . . A 13 ARG HD3 . 18937 1 131 . 1 1 13 13 ARG HE H 1 7.187 0.01 . 1 . . . A 13 ARG HE . 18937 1 132 . 1 1 13 13 ARG CA C 13 55.511 0.01 . 1 . . . A 13 ARG CA . 18937 1 133 . 1 1 13 13 ARG CB C 13 31.551 0.01 . 1 . . . A 13 ARG CB . 18937 1 134 . 1 1 13 13 ARG CG C 13 26.987 0.01 . 1 . . . A 13 ARG CG . 18937 1 135 . 1 1 13 13 ARG CD C 13 43.307 0.01 . 1 . . . A 13 ARG CD . 18937 1 136 . 1 1 14 14 ABA CA C 13 57.625 0.01 . 1 . . . A 14 ABA CA . 18937 1 137 . 1 1 14 14 ABA CB C 13 27.734 0.01 . 1 . . . A 14 ABA CB . 18937 1 138 . 1 1 14 14 ABA H H 1 8.341 0.01 . 1 . . . A 14 ABA H . 18937 1 139 . 1 1 14 14 ABA HA H 1 4.395 0.01 . 1 . . . A 14 ABA HA . 18937 1 140 . 1 1 14 14 ABA HG1 H 1 0.868 0.01 . 1 . . . A 14 ABA HG . 18937 1 141 . 1 1 14 14 ABA HG2 H 1 0.868 0.01 . 1 . . . A 14 ABA HG . 18937 1 142 . 1 1 14 14 ABA HG3 H 1 0.868 0.01 . 1 . . . A 14 ABA HG . 18937 1 143 . 1 1 14 14 ABA HB2 H 1 1.688 0.01 . 1 . . . A 14 ABA QB . 18937 1 144 . 1 1 14 14 ABA HB3 H 1 1.688 0.01 . 1 . . . A 14 ABA QB . 18937 1 145 . 1 1 15 15 VAL H H 1 8.416 0.01 . 1 . . . A 15 VAL H . 18937 1 146 . 1 1 15 15 VAL HA H 1 4.180 0.01 . 1 . . . A 15 VAL HA . 18937 1 147 . 1 1 15 15 VAL HB H 1 2.006 0.01 . 1 . . . A 15 VAL HB . 18937 1 148 . 1 1 15 15 VAL HG11 H 1 0.901 0.01 . 1 . . . A 15 VAL HG11 . 18937 1 149 . 1 1 15 15 VAL HG12 H 1 0.901 0.01 . 1 . . . A 15 VAL HG12 . 18937 1 150 . 1 1 15 15 VAL HG13 H 1 0.901 0.01 . 1 . . . A 15 VAL HG13 . 18937 1 151 . 1 1 15 15 VAL HG21 H 1 0.901 0.01 . 1 . . . A 15 VAL HG21 . 18937 1 152 . 1 1 15 15 VAL HG22 H 1 0.901 0.01 . 1 . . . A 15 VAL HG22 . 18937 1 153 . 1 1 15 15 VAL HG23 H 1 0.901 0.01 . 1 . . . A 15 VAL HG23 . 18937 1 154 . 1 1 15 15 VAL CA C 13 61.977 0.01 . 1 . . . A 15 VAL CA . 18937 1 155 . 1 1 15 15 VAL CB C 13 33.448 0.01 . 1 . . . A 15 VAL CB . 18937 1 156 . 1 1 15 15 VAL CG1 C 13 21.095 0.01 . 1 . . . A 15 VAL CG1 . 18937 1 157 . 1 1 15 15 VAL CG2 C 13 21.095 0.01 . 1 . . . A 15 VAL CG2 . 18937 1 158 . 1 1 16 16 ABA CA C 13 57.503 0.01 . 1 . . . A 16 ABA CA . 18937 1 159 . 1 1 16 16 ABA CB C 13 27.545 0.01 . 1 . . . A 16 ABA CB . 18937 1 160 . 1 1 16 16 ABA H H 1 8.473 0.01 . 1 . . . A 16 ABA H . 18937 1 161 . 1 1 16 16 ABA HA H 1 4.402 0.01 . 1 . . . A 16 ABA HA . 18937 1 162 . 1 1 16 16 ABA HB2 H 1 1.754 0.01 . 1 . . . A 16 ABA HB2 . 18937 1 163 . 1 1 16 16 ABA HB3 H 1 1.654 0.01 . 1 . . . A 16 ABA HB3 . 18937 1 164 . 1 1 16 16 ABA HG1 H 1 0.841 0.01 . 1 . . . A 16 ABA HG . 18937 1 165 . 1 1 16 16 ABA HG2 H 1 0.841 0.01 . 1 . . . A 16 ABA HG . 18937 1 166 . 1 1 16 16 ABA HG3 H 1 0.841 0.01 . 1 . . . A 16 ABA HG . 18937 1 167 . 1 1 17 17 ARG H H 1 8.381 0.01 . 1 . . . A 17 ARG H . 18937 1 168 . 1 1 17 17 ARG HA H 1 4.425 0.01 . 1 . . . A 17 ARG HA . 18937 1 169 . 1 1 17 17 ARG HB2 H 1 1.816 0.01 . 1 . . . A 17 ARG HB2 . 18937 1 170 . 1 1 17 17 ARG HB3 H 1 1.731 0.01 . 1 . . . A 17 ARG HB3 . 18937 1 171 . 1 1 17 17 ARG HG2 H 1 1.573 0.01 . 1 . . . A 17 ARG HG2 . 18937 1 172 . 1 1 17 17 ARG HG3 H 1 1.631 0.01 . 1 . . . A 17 ARG HG3 . 18937 1 173 . 1 1 17 17 ARG HD2 H 1 3.188 0.01 . 1 . . . A 17 ARG HD2 . 18937 1 174 . 1 1 17 17 ARG HD3 H 1 3.188 0.01 . 1 . . . A 17 ARG HD3 . 18937 1 175 . 1 1 17 17 ARG HE H 1 7.205 0.01 . 1 . . . A 17 ARG HE . 18937 1 176 . 1 1 17 17 ARG CA C 13 57.840 0.01 . 1 . . . A 17 ARG CA . 18937 1 177 . 1 1 17 17 ARG CB C 13 31.675 0.01 . 1 . . . A 17 ARG CB . 18937 1 178 . 1 1 17 17 ARG CG C 13 27.269 0.01 . 1 . . . A 17 ARG CG . 18937 1 179 . 1 1 17 17 ARG CD C 13 43.293 0.01 . 1 . . . A 17 ARG CD . 18937 1 180 . 1 1 18 18 ARG H H 1 8.739 0.01 . 1 . . . A 18 ARG H . 18937 1 181 . 1 1 18 18 ARG HA H 1 4.178 0.01 . 1 . . . A 18 ARG HA . 18937 1 182 . 1 1 18 18 ARG HB2 H 1 1.893 0.01 . 1 . . . A 18 ARG HB2 . 18937 1 183 . 1 1 18 18 ARG HB3 H 1 1.783 0.01 . 1 . . . A 18 ARG HB3 . 18937 1 184 . 1 1 18 18 ARG HG2 H 1 1.622 0.01 . 1 . . . A 18 ARG HG2 . 18937 1 185 . 1 1 18 18 ARG HG3 H 1 1.622 0.01 . 1 . . . A 18 ARG HG3 . 18937 1 186 . 1 1 18 18 ARG HD2 H 1 3.202 0.01 . 1 . . . A 18 ARG HD2 . 18937 1 187 . 1 1 18 18 ARG HD3 H 1 3.202 0.01 . 1 . . . A 18 ARG HD3 . 18937 1 188 . 1 1 18 18 ARG HE H 1 7.201 0.01 . 1 . . . A 18 ARG HE . 18937 1 189 . 1 1 18 18 ARG CA C 13 56.614 0.01 . 1 . . . A 18 ARG CA . 18937 1 190 . 1 1 18 18 ARG CB C 13 29.835 0.01 . 1 . . . A 18 ARG CB . 18937 1 191 . 1 1 18 18 ARG CG C 13 27.538 0.01 . 1 . . . A 18 ARG CG . 18937 1 192 . 1 1 18 18 ARG CD C 13 43.213 0.01 . 1 . . . A 18 ARG CD . 18937 1 stop_ save_