################################### # 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 30619 _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' . . . 30619 1 2 '2D 1H-1H NOESY' . . . 30619 1 3 '2D E.COSY' . . . 30619 1 4 '2D 1H-15N HSQC' . . . 30619 1 5 '2D 1H-13C HSQC' . . . 30619 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.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 LYS H H 1 8.703 0.002 . 1 . . . . A 1 LYS H1 . 30619 1 2 . 1 1 1 1 LYS HA H 1 4.187 0.007 . 1 . . . . A 1 LYS HA . 30619 1 3 . 1 1 1 1 LYS HB2 H 1 1.750 0.007 . 2 . . . . A 1 LYS HB2 . 30619 1 4 . 1 1 1 1 LYS HB3 H 1 1.534 0.007 . 2 . . . . A 1 LYS HB3 . 30619 1 5 . 1 1 1 1 LYS HG2 H 1 1.215 0.008 . 2 . . . . A 1 LYS HG2 . 30619 1 6 . 1 1 1 1 LYS HG3 H 1 1.108 0.009 . 2 . . . . A 1 LYS HG3 . 30619 1 7 . 1 1 1 1 LYS HD2 H 1 1.535 0.009 . 2 . . . . A 1 LYS HD2 . 30619 1 8 . 1 1 1 1 LYS HD3 H 1 1.535 0.009 . 2 . . . . A 1 LYS HD3 . 30619 1 9 . 1 1 1 1 LYS HE2 H 1 2.852 0.008 . 2 . . . . A 1 LYS HE2 . 30619 1 10 . 1 1 1 1 LYS HE3 H 1 2.852 0.008 . 2 . . . . A 1 LYS HE3 . 30619 1 11 . 1 1 1 1 LYS HZ1 H 1 7.475 0.001 . 1 . . . . A 1 LYS HZ1 . 30619 1 12 . 1 1 1 1 LYS HZ2 H 1 7.475 0.001 . 1 . . . . A 1 LYS HZ2 . 30619 1 13 . 1 1 1 1 LYS HZ3 H 1 7.475 0.001 . 1 . . . . A 1 LYS HZ3 . 30619 1 14 . 1 1 1 1 LYS CA C 13 56.449 0.000 . 1 . . . . A 1 LYS CA . 30619 1 15 . 1 1 1 1 LYS CB C 13 32.145 0.012 . 1 . . . . A 1 LYS CB . 30619 1 16 . 1 1 1 1 LYS CG C 13 24.364 0.012 . 1 . . . . A 1 LYS CG . 30619 1 17 . 1 1 1 1 LYS CD C 13 28.895 0.000 . 1 . . . . A 1 LYS CD . 30619 1 18 . 1 1 1 1 LYS CE C 13 41.717 0.000 . 1 . . . . A 1 LYS CE . 30619 1 19 . 1 1 1 1 LYS N N 15 121.573 0.000 . 1 . . . . A 1 LYS N . 30619 1 20 . 1 1 2 2 TRP H H 1 7.826 0.004 . 1 . . . . A 2 TRP H . 30619 1 21 . 1 1 2 2 TRP HA H 1 4.913 0.009 . 1 . . . . A 2 TRP HA . 30619 1 22 . 1 1 2 2 TRP HB2 H 1 3.508 0.009 . 2 . . . . A 2 TRP HB2 . 30619 1 23 . 1 1 2 2 TRP HB3 H 1 3.266 0.006 . 2 . . . . A 2 TRP HB3 . 30619 1 24 . 1 1 2 2 TRP HD1 H 1 7.320 0.001 . 1 . . . . A 2 TRP HD1 . 30619 1 25 . 1 1 2 2 TRP HE1 H 1 10.135 0.004 . 1 . . . . A 2 TRP HE1 . 30619 1 26 . 1 1 2 2 TRP HE3 H 1 7.757 0.004 . 1 . . . . A 2 TRP HE3 . 30619 1 27 . 1 1 2 2 TRP HZ2 H 1 7.398 0.004 . 1 . . . . A 2 TRP HZ2 . 30619 1 28 . 1 1 2 2 TRP HH2 H 1 7.100 0.003 . 1 . . . . A 2 TRP HH2 . 30619 1 29 . 1 1 2 2 TRP CA C 13 56.309 0.000 . 1 . . . . A 2 TRP CA . 30619 1 30 . 1 1 2 2 TRP CB C 13 29.864 0.012 . 1 . . . . A 2 TRP CB . 30619 1 31 . 1 1 2 2 TRP N N 15 122.618 0.000 . 1 . . . . A 2 TRP N . 30619 1 32 . 1 1 2 2 TRP NE1 N 15 129.038 0.000 . 1 . . . . A 2 TRP NE1 . 30619 1 33 . 1 1 3 3 CYS H H 1 8.359 0.003 . 1 . . . . A 3 CYS H . 30619 1 34 . 1 1 3 3 CYS HA H 1 5.395 0.013 . 1 . . . . A 3 CYS HA . 30619 1 35 . 1 1 3 3 CYS HB2 H 1 2.912 0.013 . 2 . . . . A 3 CYS HB2 . 30619 1 36 . 1 1 3 3 CYS HB3 H 1 2.473 0.008 . 2 . . . . A 3 CYS HB3 . 30619 1 37 . 1 1 3 3 CYS CA C 13 55.365 0.000 . 1 . . . . A 3 CYS CA . 30619 1 38 . 1 1 3 3 CYS CB C 13 47.854 0.007 . 1 . . . . A 3 CYS CB . 30619 1 39 . 1 1 3 3 CYS N N 15 123.700 0.000 . 1 . . . . A 3 CYS N . 30619 1 40 . 1 1 4 4 PHE H H 1 8.727 0.008 . 1 . . . . A 4 PHE H . 30619 1 41 . 1 1 4 4 PHE HA H 1 4.790 0.013 . 1 . . . . A 4 PHE HA . 30619 1 42 . 1 1 4 4 PHE HB2 H 1 2.930 0.007 . 2 . . . . A 4 PHE HB2 . 30619 1 43 . 1 1 4 4 PHE HB3 H 1 2.926 0.003 . 2 . . . . A 4 PHE HB3 . 30619 1 44 . 1 1 4 4 PHE HD1 H 1 6.691 0.002 . 3 . . . . A 4 PHE HD1 . 30619 1 45 . 1 1 4 4 PHE HD2 H 1 6.691 0.002 . 3 . . . . A 4 PHE HD2 . 30619 1 46 . 1 1 4 4 PHE HE1 H 1 6.995 0.002 . 3 . . . . A 4 PHE HE1 . 30619 1 47 . 1 1 4 4 PHE HE2 H 1 6.995 0.002 . 3 . . . . A 4 PHE HE2 . 30619 1 48 . 1 1 4 4 PHE CA C 13 55.628 0.000 . 1 . . . . A 4 PHE CA . 30619 1 49 . 1 1 4 4 PHE CB C 13 40.839 0.000 . 1 . . . . A 4 PHE CB . 30619 1 50 . 1 1 4 4 PHE N N 15 127.686 0.000 . 1 . . . . A 4 PHE N . 30619 1 51 . 1 1 5 5 ARG H H 1 8.586 0.001 . 1 . . . . A 5 ARG H . 30619 1 52 . 1 1 5 5 ARG HA H 1 4.956 0.008 . 1 . . . . A 5 ARG HA . 30619 1 53 . 1 1 5 5 ARG HB2 H 1 1.699 0.014 . 2 . . . . A 5 ARG HB2 . 30619 1 54 . 1 1 5 5 ARG HB3 H 1 1.625 0.008 . 2 . . . . A 5 ARG HB3 . 30619 1 55 . 1 1 5 5 ARG HG2 H 1 1.486 0.008 . 2 . . . . A 5 ARG HG2 . 30619 1 56 . 1 1 5 5 ARG HG3 H 1 1.405 0.008 . 2 . . . . A 5 ARG HG3 . 30619 1 57 . 1 1 5 5 ARG HD2 H 1 3.092 0.010 . 2 . . . . A 5 ARG HD2 . 30619 1 58 . 1 1 5 5 ARG HD3 H 1 3.094 0.009 . 2 . . . . A 5 ARG HD3 . 30619 1 59 . 1 1 5 5 ARG HE H 1 7.173 0.003 . 1 . . . . A 5 ARG HE . 30619 1 60 . 1 1 5 5 ARG CA C 13 55.125 0.000 . 1 . . . . A 5 ARG CA . 30619 1 61 . 1 1 5 5 ARG CB C 13 32.165 0.003 . 1 . . . . A 5 ARG CB . 30619 1 62 . 1 1 5 5 ARG CG C 13 27.898 0.004 . 1 . . . . A 5 ARG CG . 30619 1 63 . 1 1 5 5 ARG CD C 13 43.781 0.000 . 1 . . . . A 5 ARG CD . 30619 1 64 . 1 1 5 5 ARG N N 15 123.915 0.000 . 1 . . . . A 5 ARG N . 30619 1 65 . 1 1 6 6 VAL H H 1 8.882 0.004 . 1 . . . . A 6 VAL H . 30619 1 66 . 1 1 6 6 VAL HA H 1 4.348 0.009 . 1 . . . . A 6 VAL HA . 30619 1 67 . 1 1 6 6 VAL HB H 1 1.681 0.014 . 1 . . . . A 6 VAL HB . 30619 1 68 . 1 1 6 6 VAL HG11 H 1 0.882 0.008 . . . . . . A 6 VAL HG11 . 30619 1 69 . 1 1 6 6 VAL HG12 H 1 0.882 0.008 . . . . . . A 6 VAL HG12 . 30619 1 70 . 1 1 6 6 VAL HG13 H 1 0.882 0.008 . . . . . . A 6 VAL HG13 . 30619 1 71 . 1 1 6 6 VAL HG21 H 1 0.882 0.009 . . . . . . A 6 VAL HG21 . 30619 1 72 . 1 1 6 6 VAL HG22 H 1 0.882 0.009 . . . . . . A 6 VAL HG22 . 30619 1 73 . 1 1 6 6 VAL HG23 H 1 0.882 0.009 . . . . . . A 6 VAL HG23 . 30619 1 74 . 1 1 6 6 VAL CA C 13 60.864 0.000 . 1 . . . . A 6 VAL CA . 30619 1 75 . 1 1 6 6 VAL CB C 13 34.477 0.000 . 1 . . . . A 6 VAL CB . 30619 1 76 . 1 1 6 6 VAL CG1 C 13 20.919 0.000 . 2 . . . . A 6 VAL CG1 . 30619 1 77 . 1 1 6 6 VAL CG2 C 13 20.919 0.000 . 2 . . . . A 6 VAL CG2 . 30619 1 78 . 1 1 6 6 VAL N N 15 126.206 0.000 . 1 . . . . A 6 VAL N . 30619 1 79 . 1 1 7 7 CYS H H 1 8.656 0.002 . 1 . . . . A 7 CYS H . 30619 1 80 . 1 1 7 7 CYS HA H 1 5.614 0.007 . 1 . . . . A 7 CYS HA . 30619 1 81 . 1 1 7 7 CYS HB2 H 1 3.018 0.006 . 2 . . . . A 7 CYS HB2 . 30619 1 82 . 1 1 7 7 CYS HB3 H 1 2.635 0.009 . 2 . . . . A 7 CYS HB3 . 30619 1 83 . 1 1 7 7 CYS CA C 13 55.184 0.000 . 1 . . . . A 7 CYS CA . 30619 1 84 . 1 1 7 7 CYS CB C 13 48.591 0.004 . 1 . . . . A 7 CYS CB . 30619 1 85 . 1 1 7 7 CYS N N 15 122.049 0.000 . 1 . . . . A 7 CYS N . 30619 1 86 . 1 1 8 8 TYR H H 1 9.107 0.002 . 1 . . . . A 8 TYR H . 30619 1 87 . 1 1 8 8 TYR HA H 1 4.718 0.010 . 1 . . . . A 8 TYR HA . 30619 1 88 . 1 1 8 8 TYR HB2 H 1 3.023 0.009 . 2 . . . . A 8 TYR HB2 . 30619 1 89 . 1 1 8 8 TYR HB3 H 1 3.025 0.012 . 2 . . . . A 8 TYR HB3 . 30619 1 90 . 1 1 8 8 TYR HD1 H 1 6.817 0.003 . 3 . . . . A 8 TYR HD1 . 30619 1 91 . 1 1 8 8 TYR HD2 H 1 6.817 0.003 . 3 . . . . A 8 TYR HD2 . 30619 1 92 . 1 1 8 8 TYR HE1 H 1 7.213 0.008 . 3 . . . . A 8 TYR HE1 . 30619 1 93 . 1 1 8 8 TYR HE2 H 1 7.213 0.008 . 3 . . . . A 8 TYR HE2 . 30619 1 94 . 1 1 8 8 TYR CA C 13 57.511 0.000 . 1 . . . . A 8 TYR CA . 30619 1 95 . 1 1 8 8 TYR CB C 13 40.692 0.000 . 1 . . . . A 8 TYR CB . 30619 1 96 . 1 1 8 8 TYR N N 15 123.566 0.000 . 1 . . . . A 8 TYR N . 30619 1 97 . 1 1 9 9 ARG H H 1 9.250 0.001 . 1 . . . . A 9 ARG H . 30619 1 98 . 1 1 9 9 ARG HA H 1 3.694 0.006 . 1 . . . . A 9 ARG HA . 30619 1 99 . 1 1 9 9 ARG HB2 H 1 1.903 0.008 . 2 . . . . A 9 ARG HB2 . 30619 1 100 . 1 1 9 9 ARG HB3 H 1 1.592 0.009 . 2 . . . . A 9 ARG HB3 . 30619 1 101 . 1 1 9 9 ARG HG2 H 1 1.225 0.010 . 2 . . . . A 9 ARG HG2 . 30619 1 102 . 1 1 9 9 ARG HG3 H 1 0.922 0.010 . 2 . . . . A 9 ARG HG3 . 30619 1 103 . 1 1 9 9 ARG HD2 H 1 3.042 0.008 . 2 . . . . A 9 ARG HD2 . 30619 1 104 . 1 1 9 9 ARG HD3 H 1 3.042 0.008 . 2 . . . . A 9 ARG HD3 . 30619 1 105 . 1 1 9 9 ARG HE H 1 7.015 0.002 . 1 . . . . A 9 ARG HE . 30619 1 106 . 1 1 9 9 ARG CA C 13 57.085 0.000 . 1 . . . . A 9 ARG CA . 30619 1 107 . 1 1 9 9 ARG CB C 13 27.910 0.003 . 1 . . . . A 9 ARG CB . 30619 1 108 . 1 1 9 9 ARG CG C 13 27.310 0.016 . 1 . . . . A 9 ARG CG . 30619 1 109 . 1 1 9 9 ARG CD C 13 43.540 0.000 . 1 . . . . A 9 ARG CD . 30619 1 110 . 1 1 9 9 ARG N N 15 125.530 0.000 . 1 . . . . A 9 ARG N . 30619 1 111 . 1 1 10 10 GLY H H 1 8.554 0.005 . 1 . . . . A 10 GLY H . 30619 1 112 . 1 1 10 10 GLY HA2 H 1 4.137 0.007 . 2 . . . . A 10 GLY HA2 . 30619 1 113 . 1 1 10 10 GLY HA3 H 1 3.541 0.013 . 2 . . . . A 10 GLY HA3 . 30619 1 114 . 1 1 10 10 GLY CA C 13 45.169 0.025 . 1 . . . . A 10 GLY CA . 30619 1 115 . 1 1 11 11 ILE H H 1 7.773 0.004 . 1 . . . . A 11 ILE H . 30619 1 116 . 1 1 11 11 ILE HA H 1 4.288 0.006 . 1 . . . . A 11 ILE HA . 30619 1 117 . 1 1 11 11 ILE HB H 1 1.991 0.007 . 1 . . . . A 11 ILE HB . 30619 1 118 . 1 1 11 11 ILE HG12 H 1 1.493 0.009 . 2 . . . . A 11 ILE HG12 . 30619 1 119 . 1 1 11 11 ILE HG13 H 1 1.152 0.007 . 2 . . . . A 11 ILE HG13 . 30619 1 120 . 1 1 11 11 ILE HG21 H 1 0.760 0.005 . . . . . . A 11 ILE HG21 . 30619 1 121 . 1 1 11 11 ILE HG22 H 1 0.760 0.005 . . . . . . A 11 ILE HG22 . 30619 1 122 . 1 1 11 11 ILE HG23 H 1 0.760 0.005 . . . . . . A 11 ILE HG23 . 30619 1 123 . 1 1 11 11 ILE HD11 H 1 0.864 0.005 . . . . . . A 11 ILE HD11 . 30619 1 124 . 1 1 11 11 ILE HD12 H 1 0.864 0.005 . . . . . . A 11 ILE HD12 . 30619 1 125 . 1 1 11 11 ILE HD13 H 1 0.864 0.005 . . . . . . A 11 ILE HD13 . 30619 1 126 . 1 1 11 11 ILE CA C 13 59.965 0.000 . 1 . . . . A 11 ILE CA . 30619 1 127 . 1 1 11 11 ILE CB C 13 38.876 0.000 . 1 . . . . A 11 ILE CB . 30619 1 128 . 1 1 11 11 ILE CG1 C 13 27.039 0.026 . 1 . . . . A 11 ILE CG1 . 30619 1 129 . 1 1 11 11 ILE CG2 C 13 17.294 0.000 . 1 . . . . A 11 ILE CG2 . 30619 1 130 . 1 1 11 11 ILE CD1 C 13 12.077 0.000 . 1 . . . . A 11 ILE CD1 . 30619 1 131 . 1 1 12 12 CYS H H 1 8.569 0.002 . 1 . . . . A 12 CYS H . 30619 1 132 . 1 1 12 12 CYS HA H 1 5.681 0.010 . 1 . . . . A 12 CYS HA . 30619 1 133 . 1 1 12 12 CYS HB2 H 1 2.923 0.007 . 2 . . . . A 12 CYS HB2 . 30619 1 134 . 1 1 12 12 CYS HB3 H 1 2.522 0.007 . 2 . . . . A 12 CYS HB3 . 30619 1 135 . 1 1 12 12 CYS CA C 13 55.061 0.000 . 1 . . . . A 12 CYS CA . 30619 1 136 . 1 1 12 12 CYS CB C 13 47.647 0.015 . 1 . . . . A 12 CYS CB . 30619 1 137 . 1 1 12 12 CYS N N 15 123.897 0.000 . 1 . . . . A 12 CYS N . 30619 1 138 . 1 1 13 13 TYR H H 1 9.160 0.003 . 1 . . . . A 13 TYR H . 30619 1 139 . 1 1 13 13 TYR HA H 1 4.735 0.016 . 1 . . . . A 13 TYR HA . 30619 1 140 . 1 1 13 13 TYR HB2 H 1 3.038 0.012 . 2 . . . . A 13 TYR HB2 . 30619 1 141 . 1 1 13 13 TYR HB3 H 1 2.834 0.008 . 2 . . . . A 13 TYR HB3 . 30619 1 142 . 1 1 13 13 TYR HD1 H 1 6.707 0.005 . 3 . . . . A 13 TYR HD1 . 30619 1 143 . 1 1 13 13 TYR HD2 H 1 6.707 0.005 . 3 . . . . A 13 TYR HD2 . 30619 1 144 . 1 1 13 13 TYR HE1 H 1 7.008 0.003 . 3 . . . . A 13 TYR HE1 . 30619 1 145 . 1 1 13 13 TYR HE2 H 1 7.008 0.003 . 3 . . . . A 13 TYR HE2 . 30619 1 146 . 1 1 13 13 TYR CA C 13 56.168 0.000 . 1 . . . . A 13 TYR CA . 30619 1 147 . 1 1 13 13 TYR CB C 13 40.857 0.003 . 1 . . . . A 13 TYR CB . 30619 1 148 . 1 1 13 13 TYR N N 15 123.545 0.000 . 1 . . . . A 13 TYR N . 30619 1 149 . 1 1 14 14 ARG H H 1 8.651 0.002 . 1 . . . . A 14 ARG H . 30619 1 150 . 1 1 14 14 ARG HA H 1 4.803 0.015 . 1 . . . . A 14 ARG HA . 30619 1 151 . 1 1 14 14 ARG HB2 H 1 1.695 0.007 . 2 . . . . A 14 ARG HB2 . 30619 1 152 . 1 1 14 14 ARG HB3 H 1 1.580 0.006 . 2 . . . . A 14 ARG HB3 . 30619 1 153 . 1 1 14 14 ARG HG2 H 1 1.407 0.005 . 2 . . . . A 14 ARG HG2 . 30619 1 154 . 1 1 14 14 ARG HG3 H 1 1.307 0.007 . 2 . . . . A 14 ARG HG3 . 30619 1 155 . 1 1 14 14 ARG HD2 H 1 3.072 0.008 . 2 . . . . A 14 ARG HD2 . 30619 1 156 . 1 1 14 14 ARG HD3 H 1 3.072 0.008 . 2 . . . . A 14 ARG HD3 . 30619 1 157 . 1 1 14 14 ARG HE H 1 7.160 0.000 . 1 . . . . A 14 ARG HE . 30619 1 158 . 1 1 14 14 ARG CA C 13 55.177 0.000 . 1 . . . . A 14 ARG CA . 30619 1 159 . 1 1 14 14 ARG CB C 13 31.505 0.001 . 1 . . . . A 14 ARG CB . 30619 1 160 . 1 1 14 14 ARG CG C 13 27.929 0.003 . 1 . . . . A 14 ARG CG . 30619 1 161 . 1 1 14 14 ARG CD C 13 43.552 0.000 . 1 . . . . A 14 ARG CD . 30619 1 162 . 1 1 14 14 ARG N N 15 121.953 0.000 . 1 . . . . A 14 ARG N . 30619 1 163 . 1 1 15 15 ARG H H 1 8.712 0.002 . 1 . . . . A 15 ARG H . 30619 1 164 . 1 1 15 15 ARG HA H 1 4.522 0.005 . 1 . . . . A 15 ARG HA . 30619 1 165 . 1 1 15 15 ARG HB2 H 1 1.417 0.008 . 2 . . . . A 15 ARG HB2 . 30619 1 166 . 1 1 15 15 ARG HB3 H 1 1.254 0.007 . 2 . . . . A 15 ARG HB3 . 30619 1 167 . 1 1 15 15 ARG HG2 H 1 1.531 0.011 . 2 . . . . A 15 ARG HG2 . 30619 1 168 . 1 1 15 15 ARG HG3 H 1 1.411 0.014 . 2 . . . . A 15 ARG HG3 . 30619 1 169 . 1 1 15 15 ARG HD2 H 1 3.209 0.007 . 2 . . . . A 15 ARG HD2 . 30619 1 170 . 1 1 15 15 ARG HD3 H 1 3.121 0.008 . 2 . . . . A 15 ARG HD3 . 30619 1 171 . 1 1 15 15 ARG HE H 1 7.145 0.004 . 1 . . . . A 15 ARG HE . 30619 1 172 . 1 1 15 15 ARG CA C 13 54.193 0.000 . 1 . . . . A 15 ARG CA . 30619 1 173 . 1 1 15 15 ARG CB C 13 33.265 0.007 . 1 . . . . A 15 ARG CB . 30619 1 174 . 1 1 15 15 ARG CG C 13 27.058 0.011 . 1 . . . . A 15 ARG CG . 30619 1 175 . 1 1 15 15 ARG CD C 13 43.248 0.003 . 1 . . . . A 15 ARG CD . 30619 1 176 . 1 1 15 15 ARG N N 15 127.686 0.000 . 1 . . . . A 15 ARG N . 30619 1 177 . 1 1 16 16 CYS H H 1 8.603 0.002 . 1 . . . . A 16 CYS H . 30619 1 178 . 1 1 16 16 CYS HA H 1 5.392 0.009 . 1 . . . . A 16 CYS HA . 30619 1 179 . 1 1 16 16 CYS HB2 H 1 2.900 0.011 . 2 . . . . A 16 CYS HB2 . 30619 1 180 . 1 1 16 16 CYS HB3 H 1 2.900 0.011 . 2 . . . . A 16 CYS HB3 . 30619 1 181 . 1 1 16 16 CYS CA C 13 55.731 0.000 . 1 . . . . A 16 CYS CA . 30619 1 182 . 1 1 16 16 CYS CB C 13 48.295 0.000 . 1 . . . . A 16 CYS CB . 30619 1 183 . 1 1 16 16 CYS N N 15 121.337 0.000 . 1 . . . . A 16 CYS N . 30619 1 184 . 1 1 17 17 ARG H H 1 9.201 0.004 . 1 . . . . A 17 ARG H . 30619 1 185 . 1 1 17 17 ARG HA H 1 4.564 0.006 . 1 . . . . A 17 ARG HA . 30619 1 186 . 1 1 17 17 ARG HB2 H 1 2.071 0.007 . 2 . . . . A 17 ARG HB2 . 30619 1 187 . 1 1 17 17 ARG HB3 H 1 1.944 0.005 . 2 . . . . A 17 ARG HB3 . 30619 1 188 . 1 1 17 17 ARG HG2 H 1 1.762 0.006 . 2 . . . . A 17 ARG HG2 . 30619 1 189 . 1 1 17 17 ARG HG3 H 1 1.677 0.006 . 2 . . . . A 17 ARG HG3 . 30619 1 190 . 1 1 17 17 ARG HD2 H 1 3.305 0.007 . 2 . . . . A 17 ARG HD2 . 30619 1 191 . 1 1 17 17 ARG HD3 H 1 3.305 0.007 . 2 . . . . A 17 ARG HD3 . 30619 1 192 . 1 1 17 17 ARG HE H 1 7.293 0.001 . 1 . . . . A 17 ARG HE . 30619 1 193 . 1 1 17 17 ARG CA C 13 55.201 0.000 . 1 . . . . A 17 ARG CA . 30619 1 194 . 1 1 17 17 ARG CB C 13 31.218 0.006 . 1 . . . . A 17 ARG CB . 30619 1 195 . 1 1 17 17 ARG CG C 13 27.199 0.006 . 1 . . . . A 17 ARG CG . 30619 1 196 . 1 1 17 17 ARG CD C 13 43.555 0.000 . 1 . . . . A 17 ARG CD . 30619 1 197 . 1 1 17 17 ARG N N 15 121.031 0.000 . 1 . . . . A 17 ARG N . 30619 1 198 . 1 1 18 18 GLY H H 1 8.948 0.002 . 1 . . . . A 18 GLY H . 30619 1 199 . 1 1 18 18 GLY HA2 H 1 4.073 0.007 . 2 . . . . A 18 GLY HA2 . 30619 1 200 . 1 1 18 18 GLY HA3 H 1 3.643 0.005 . 2 . . . . A 18 GLY HA3 . 30619 1 201 . 1 1 18 18 GLY CA C 13 46.606 0.016 . 1 . . . . A 18 GLY CA . 30619 1 stop_ save_