################################### # 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 30146 _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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' . . . 30146 1 2 '2D 1H-1H NOESY' . . . 30146 1 3 '2D 1H-1H NOESY' . . . 30146 1 4 '2D 1H-15N HSQC' . . . 30146 1 5 '2D 1H-13C HSQC' . . . 30146 1 6 '2D ECOSY' . . . 30146 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 PRO HA H 1 4.549 0.003 . 1 . . . A 1 PRO HA . 30146 1 2 . 1 1 1 1 PRO HB2 H 1 2.179 0.000 . 2 . . . A 1 PRO HB2 . 30146 1 3 . 1 1 1 1 PRO HB3 H 1 2.246 0.004 . 2 . . . A 1 PRO HB3 . 30146 1 4 . 1 1 1 1 PRO HG2 H 1 1.967 0.000 . 2 . . . A 1 PRO HG2 . 30146 1 5 . 1 1 1 1 PRO HG3 H 1 2.105 0.005 . 2 . . . A 1 PRO HG3 . 30146 1 6 . 1 1 1 1 PRO HD2 H 1 3.763 0.005 . 2 . . . A 1 PRO HD2 . 30146 1 7 . 1 1 1 1 PRO HD3 H 1 4.014 0.002 . 2 . . . A 1 PRO HD3 . 30146 1 8 . 1 1 1 1 PRO CA C 13 63.690 0.000 . 1 . . . A 1 PRO CA . 30146 1 9 . 1 1 1 1 PRO CB C 13 32.385 0.003 . 1 . . . A 1 PRO CB . 30146 1 10 . 1 1 1 1 PRO CG C 13 26.328 0.050 . 1 . . . A 1 PRO CG . 30146 1 11 . 1 1 1 1 PRO CD C 13 50.406 0.000 . 1 . . . A 1 PRO CD . 30146 1 12 . 1 1 2 2 VAL H H 1 7.681 0.004 . 1 . . . A 2 VAL H . 30146 1 13 . 1 1 2 2 VAL HA H 1 4.354 0.002 . 1 . . . A 2 VAL HA . 30146 1 14 . 1 1 2 2 VAL HB H 1 2.175 0.002 . 1 . . . A 2 VAL HB . 30146 1 15 . 1 1 2 2 VAL HG11 H 1 0.969 0.003 . 1 . . . A 2 VAL HG11 . 30146 1 16 . 1 1 2 2 VAL HG12 H 1 0.969 0.003 . 1 . . . A 2 VAL HG12 . 30146 1 17 . 1 1 2 2 VAL HG13 H 1 0.969 0.003 . 1 . . . A 2 VAL HG13 . 30146 1 18 . 1 1 2 2 VAL HG21 H 1 0.828 0.005 . 1 . . . A 2 VAL HG21 . 30146 1 19 . 1 1 2 2 VAL HG22 H 1 0.828 0.005 . 1 . . . A 2 VAL HG22 . 30146 1 20 . 1 1 2 2 VAL HG23 H 1 0.828 0.005 . 1 . . . A 2 VAL HG23 . 30146 1 21 . 1 1 2 2 VAL CA C 13 61.736 0.000 . 1 . . . A 2 VAL CA . 30146 1 22 . 1 1 2 2 VAL CB C 13 34.330 0.000 . 1 . . . A 2 VAL CB . 30146 1 23 . 1 1 2 2 VAL CG1 C 13 21.144 0.000 . 1 . . . A 2 VAL CG1 . 30146 1 24 . 1 1 2 2 VAL CG2 C 13 21.161 0.000 . 1 . . . A 2 VAL CG2 . 30146 1 25 . 1 1 2 2 VAL N N 15 121.272 0.000 . 1 . . . A 2 VAL N . 30146 1 26 . 1 1 3 3 THR H H 1 8.541 0.002 . 1 . . . A 3 THR H . 30146 1 27 . 1 1 3 3 THR HA H 1 4.911 0.005 . 1 . . . A 3 THR HA . 30146 1 28 . 1 1 3 3 THR HB H 1 3.956 0.002 . 1 . . . A 3 THR HB . 30146 1 29 . 1 1 3 3 THR HG21 H 1 1.119 0.001 . 1 . . . A 3 THR HG21 . 30146 1 30 . 1 1 3 3 THR HG22 H 1 1.119 0.001 . 1 . . . A 3 THR HG22 . 30146 1 31 . 1 1 3 3 THR HG23 H 1 1.119 0.001 . 1 . . . A 3 THR HG23 . 30146 1 32 . 1 1 3 3 THR CA C 13 62.050 0.000 . 1 . . . A 3 THR CA . 30146 1 33 . 1 1 3 3 THR CB C 13 70.041 0.000 . 1 . . . A 3 THR CB . 30146 1 34 . 1 1 3 3 THR CG2 C 13 21.974 0.000 . 1 . . . A 3 THR CG2 . 30146 1 35 . 1 1 3 3 THR N N 15 122.162 0.000 . 1 . . . A 3 THR N . 30146 1 36 . 1 1 4 4 TRP H H 1 9.042 0.004 . 1 . . . A 4 TRP H . 30146 1 37 . 1 1 4 4 TRP HA H 1 5.013 0.002 . 1 . . . A 4 TRP HA . 30146 1 38 . 1 1 4 4 TRP HB2 H 1 3.067 0.006 . 2 . . . A 4 TRP HB2 . 30146 1 39 . 1 1 4 4 TRP HB3 H 1 3.271 0.006 . 2 . . . A 4 TRP HB3 . 30146 1 40 . 1 1 4 4 TRP HD1 H 1 7.088 0.001 . 1 . . . A 4 TRP HD1 . 30146 1 41 . 1 1 4 4 TRP HE1 H 1 10.081 0.000 . 1 . . . A 4 TRP HE1 . 30146 1 42 . 1 1 4 4 TRP HE3 H 1 7.541 0.000 . 1 . . . A 4 TRP HE3 . 30146 1 43 . 1 1 4 4 TRP HZ2 H 1 7.453 0.001 . 1 . . . A 4 TRP HZ2 . 30146 1 44 . 1 1 4 4 TRP HZ3 H 1 7.074 0.000 . 1 . . . A 4 TRP HZ3 . 30146 1 45 . 1 1 4 4 TRP HH2 H 1 7.192 0.002 . 1 . . . A 4 TRP HH2 . 30146 1 46 . 1 1 4 4 TRP CA C 13 56.065 0.000 . 1 . . . A 4 TRP CA . 30146 1 47 . 1 1 4 4 TRP CB C 13 31.330 0.001 . 1 . . . A 4 TRP CB . 30146 1 48 . 1 1 4 4 TRP N N 15 129.057 0.000 . 1 . . . A 4 TRP N . 30146 1 49 . 1 1 5 5 CYS H H 1 8.782 0.004 . 1 . . . A 5 CYS H . 30146 1 50 . 1 1 5 5 CYS HA H 1 5.507 0.002 . 1 . . . A 5 CYS HA . 30146 1 51 . 1 1 5 5 CYS HB2 H 1 2.535 0.008 . 2 . . . A 5 CYS HB2 . 30146 1 52 . 1 1 5 5 CYS HB3 H 1 2.890 0.009 . 2 . . . A 5 CYS HB3 . 30146 1 53 . 1 1 5 5 CYS CA C 13 55.339 0.000 . 1 . . . A 5 CYS CA . 30146 1 54 . 1 1 5 5 CYS CB C 13 47.044 0.002 . 1 . . . A 5 CYS CB . 30146 1 55 . 1 1 5 5 CYS N N 15 124.001 0.000 . 1 . . . A 5 CYS N . 30146 1 56 . 1 1 6 6 VAL H H 1 8.695 0.002 . 1 . . . A 6 VAL H . 30146 1 57 . 1 1 6 6 VAL HA H 1 4.393 0.002 . 1 . . . A 6 VAL HA . 30146 1 58 . 1 1 6 6 VAL HB H 1 1.957 0.004 . 1 . . . A 6 VAL HB . 30146 1 59 . 1 1 6 6 VAL HG11 H 1 0.884 0.004 . 1 . . . A 6 VAL HG11 . 30146 1 60 . 1 1 6 6 VAL HG12 H 1 0.884 0.004 . 1 . . . A 6 VAL HG12 . 30146 1 61 . 1 1 6 6 VAL HG13 H 1 0.884 0.004 . 1 . . . A 6 VAL HG13 . 30146 1 62 . 1 1 6 6 VAL HG21 H 1 0.883 0.004 . 1 . . . A 6 VAL HG21 . 30146 1 63 . 1 1 6 6 VAL HG22 H 1 0.883 0.004 . 1 . . . A 6 VAL HG22 . 30146 1 64 . 1 1 6 6 VAL HG23 H 1 0.883 0.004 . 1 . . . A 6 VAL HG23 . 30146 1 65 . 1 1 6 6 VAL CA C 13 59.919 0.000 . 1 . . . A 6 VAL CA . 30146 1 66 . 1 1 6 6 VAL CB C 13 35.296 0.004 . 1 . . . A 6 VAL CB . 30146 1 67 . 1 1 6 6 VAL CG1 C 13 20.031 0.000 . 1 . . . A 6 VAL CG1 . 30146 1 68 . 1 1 6 6 VAL CG2 C 13 20.767 0.000 . 1 . . . A 6 VAL CG2 . 30146 1 69 . 1 1 6 6 VAL N N 15 120.515 0.000 . 1 . . . A 6 VAL N . 30146 1 70 . 1 1 7 7 ARG H H 1 8.586 0.002 . 1 . . . A 7 ARG H . 30146 1 71 . 1 1 7 7 ARG HA H 1 4.843 0.008 . 1 . . . A 7 ARG HA . 30146 1 72 . 1 1 7 7 ARG HB2 H 1 1.669 0.003 . 2 . . . A 7 ARG HB2 . 30146 1 73 . 1 1 7 7 ARG HB3 H 1 1.812 0.002 . 2 . . . A 7 ARG HB3 . 30146 1 74 . 1 1 7 7 ARG HG2 H 1 1.477 0.004 . 2 . . . A 7 ARG HG2 . 30146 1 75 . 1 1 7 7 ARG HG3 H 1 1.533 0.004 . 2 . . . A 7 ARG HG3 . 30146 1 76 . 1 1 7 7 ARG HD2 H 1 3.118 0.004 . 2 . . . A 7 ARG HD2 . 30146 1 77 . 1 1 7 7 ARG HD3 H 1 3.198 0.002 . 2 . . . A 7 ARG HD3 . 30146 1 78 . 1 1 7 7 ARG HE H 1 7.265 0.002 . 1 . . . A 7 ARG HE . 30146 1 79 . 1 1 7 7 ARG CA C 13 55.501 0.000 . 1 . . . A 7 ARG CA . 30146 1 80 . 1 1 7 7 ARG CB C 13 30.931 0.021 . 1 . . . A 7 ARG CB . 30146 1 81 . 1 1 7 7 ARG CG C 13 27.808 0.002 . 1 . . . A 7 ARG CG . 30146 1 82 . 1 1 7 7 ARG CD C 13 43.061 0.035 . 1 . . . A 7 ARG CD . 30146 1 83 . 1 1 7 7 ARG N N 15 125.296 0.000 . 1 . . . A 7 ARG N . 30146 1 84 . 1 1 8 8 ILE H H 1 8.742 0.003 . 1 . . . A 8 ILE H . 30146 1 85 . 1 1 8 8 ILE HA H 1 4.573 0.002 . 1 . . . A 8 ILE HA . 30146 1 86 . 1 1 8 8 ILE HB H 1 1.767 0.003 . 1 . . . A 8 ILE HB . 30146 1 87 . 1 1 8 8 ILE HG12 H 1 1.089 0.003 . 1 . . . A 8 ILE HG12 . 30146 1 88 . 1 1 8 8 ILE HG13 H 1 1.429 0.004 . 1 . . . A 8 ILE HG13 . 30146 1 89 . 1 1 8 8 ILE HG21 H 1 0.870 0.002 . 1 . . . A 8 ILE HG21 . 30146 1 90 . 1 1 8 8 ILE HG22 H 1 0.870 0.002 . 1 . . . A 8 ILE HG22 . 30146 1 91 . 1 1 8 8 ILE HG23 H 1 0.870 0.002 . 1 . . . A 8 ILE HG23 . 30146 1 92 . 1 1 8 8 ILE HD11 H 1 0.819 0.002 . 1 . . . A 8 ILE HD11 . 30146 1 93 . 1 1 8 8 ILE HD12 H 1 0.819 0.002 . 1 . . . A 8 ILE HD12 . 30146 1 94 . 1 1 8 8 ILE HD13 H 1 0.819 0.002 . 1 . . . A 8 ILE HD13 . 30146 1 95 . 1 1 8 8 ILE CA C 13 58.141 0.000 . 1 . . . A 8 ILE CA . 30146 1 96 . 1 1 8 8 ILE CB C 13 38.742 0.000 . 1 . . . A 8 ILE CB . 30146 1 97 . 1 1 8 8 ILE CG1 C 13 26.867 0.003 . 1 . . . A 8 ILE CG1 . 30146 1 98 . 1 1 8 8 ILE CG2 C 13 17.557 0.000 . 1 . . . A 8 ILE CG2 . 30146 1 99 . 1 1 8 8 ILE CD1 C 13 13.283 0.000 . 1 . . . A 8 ILE CD1 . 30146 1 100 . 1 1 8 8 ILE N N 15 127.841 0.000 . 1 . . . A 8 ILE N . 30146 1 101 . 1 1 9 9 DPR CB C 13 30.431 0.005 . 1 . . . A 9 DPR CB . 30146 1 102 . 1 1 9 9 DPR CD C 13 51.048 0.000 . 1 . . . A 9 DPR CD . 30146 1 103 . 1 1 9 9 DPR CG C 13 27.783 0.003 . 1 . . . A 9 DPR CG . 30146 1 104 . 1 1 9 9 DPR HA H 1 4.756 0.005 . 1 . . . A 9 DPR HA . 30146 1 105 . 1 1 9 9 DPR HB2 H 1 2.291 0.006 . 2 . . . A 9 DPR HB2 . 30146 1 106 . 1 1 9 9 DPR HB3 H 1 1.923 0.001 . 2 . . . A 9 DPR HB3 . 30146 1 107 . 1 1 9 9 DPR HD2 H 1 3.879 0.003 . 2 . . . A 9 DPR HD2 . 30146 1 108 . 1 1 9 9 DPR HD3 H 1 3.550 0.007 . 2 . . . A 9 DPR HD3 . 30146 1 109 . 1 1 9 9 DPR HG2 H 1 2.144 0.008 . 2 . . . A 9 DPR HG2 . 30146 1 110 . 1 1 9 9 DPR HG3 H 1 2.022 0.003 . 2 . . . A 9 DPR HG3 . 30146 1 111 . 1 1 10 10 PRO HA H 1 4.560 0.003 . 1 . . . A 10 PRO HA . 30146 1 112 . 1 1 10 10 PRO HB2 H 1 2.182 0.002 . 2 . . . A 10 PRO HB2 . 30146 1 113 . 1 1 10 10 PRO HB3 H 1 2.224 0.000 . 2 . . . A 10 PRO HB3 . 30146 1 114 . 1 1 10 10 PRO HG2 H 1 1.970 0.003 . 2 . . . A 10 PRO HG2 . 30146 1 115 . 1 1 10 10 PRO HG3 H 1 2.092 0.000 . 2 . . . A 10 PRO HG3 . 30146 1 116 . 1 1 10 10 PRO HD2 H 1 3.728 0.005 . 2 . . . A 10 PRO HD2 . 30146 1 117 . 1 1 10 10 PRO HD3 H 1 4.033 0.005 . 2 . . . A 10 PRO HD3 . 30146 1 118 . 1 1 10 10 PRO CA C 13 63.657 0.000 . 1 . . . A 10 PRO CA . 30146 1 119 . 1 1 10 10 PRO CB C 13 32.446 0.000 . 1 . . . A 10 PRO CB . 30146 1 120 . 1 1 10 10 PRO CG C 13 26.277 0.000 . 1 . . . A 10 PRO CG . 30146 1 121 . 1 1 10 10 PRO CD C 13 50.328 0.003 . 1 . . . A 10 PRO CD . 30146 1 122 . 1 1 11 11 THR H H 1 7.837 0.002 . 1 . . . A 11 THR H . 30146 1 123 . 1 1 11 11 THR HA H 1 4.546 0.005 . 1 . . . A 11 THR HA . 30146 1 124 . 1 1 11 11 THR HB H 1 4.113 0.002 . 1 . . . A 11 THR HB . 30146 1 125 . 1 1 11 11 THR HG21 H 1 1.173 0.002 . 1 . . . A 11 THR HG21 . 30146 1 126 . 1 1 11 11 THR HG22 H 1 1.173 0.002 . 1 . . . A 11 THR HG22 . 30146 1 127 . 1 1 11 11 THR HG23 H 1 1.173 0.002 . 1 . . . A 11 THR HG23 . 30146 1 128 . 1 1 11 11 THR CA C 13 61.407 0.000 . 1 . . . A 11 THR CA . 30146 1 129 . 1 1 11 11 THR CB C 13 71.005 0.000 . 1 . . . A 11 THR CB . 30146 1 130 . 1 1 11 11 THR CG2 C 13 21.560 0.000 . 1 . . . A 11 THR CG2 . 30146 1 131 . 1 1 11 11 THR N N 15 116.368 0.000 . 1 . . . A 11 THR N . 30146 1 132 . 1 1 12 12 VAL H H 1 8.556 0.003 . 1 . . . A 12 VAL H . 30146 1 133 . 1 1 12 12 VAL HA H 1 4.647 0.003 . 1 . . . A 12 VAL HA . 30146 1 134 . 1 1 12 12 VAL HB H 1 1.888 0.004 . 1 . . . A 12 VAL HB . 30146 1 135 . 1 1 12 12 VAL HG11 H 1 0.828 0.010 . 1 . . . A 12 VAL HG11 . 30146 1 136 . 1 1 12 12 VAL HG12 H 1 0.828 0.010 . 1 . . . A 12 VAL HG12 . 30146 1 137 . 1 1 12 12 VAL HG13 H 1 0.828 0.010 . 1 . . . A 12 VAL HG13 . 30146 1 138 . 1 1 12 12 VAL HG21 H 1 0.816 0.008 . 1 . . . A 12 VAL HG21 . 30146 1 139 . 1 1 12 12 VAL HG22 H 1 0.816 0.008 . 1 . . . A 12 VAL HG22 . 30146 1 140 . 1 1 12 12 VAL HG23 H 1 0.816 0.008 . 1 . . . A 12 VAL HG23 . 30146 1 141 . 1 1 12 12 VAL CA C 13 61.420 0.000 . 1 . . . A 12 VAL CA . 30146 1 142 . 1 1 12 12 VAL CB C 13 33.682 0.000 . 1 . . . A 12 VAL CB . 30146 1 143 . 1 1 12 12 VAL CG2 C 13 21.803 0.000 . 1 . . . A 12 VAL CG2 . 30146 1 144 . 1 1 12 12 VAL N N 15 124.094 0.000 . 1 . . . A 12 VAL N . 30146 1 145 . 1 1 13 13 ARG H H 1 8.869 0.002 . 1 . . . A 13 ARG H . 30146 1 146 . 1 1 13 13 ARG HA H 1 4.719 0.006 . 1 . . . A 13 ARG HA . 30146 1 147 . 1 1 13 13 ARG HB2 H 1 1.674 0.004 . 2 . . . A 13 ARG HB2 . 30146 1 148 . 1 1 13 13 ARG HB3 H 1 1.794 0.004 . 2 . . . A 13 ARG HB3 . 30146 1 149 . 1 1 13 13 ARG HG2 H 1 1.485 0.004 . 2 . . . A 13 ARG HG2 . 30146 1 150 . 1 1 13 13 ARG HG3 H 1 1.633 0.004 . 2 . . . A 13 ARG HG3 . 30146 1 151 . 1 1 13 13 ARG HD2 H 1 3.165 0.001 . 1 . . . A 13 ARG HD2 . 30146 1 152 . 1 1 13 13 ARG HD3 H 1 3.165 0.001 . 1 . . . A 13 ARG HD3 . 30146 1 153 . 1 1 13 13 ARG HE H 1 7.143 0.002 . 1 . . . A 13 ARG HE . 30146 1 154 . 1 1 13 13 ARG CA C 13 54.669 0.000 . 1 . . . A 13 ARG CA . 30146 1 155 . 1 1 13 13 ARG CB C 13 32.671 0.000 . 1 . . . A 13 ARG CB . 30146 1 156 . 1 1 13 13 ARG CG C 13 26.931 0.021 . 1 . . . A 13 ARG CG . 30146 1 157 . 1 1 13 13 ARG CD C 13 43.257 0.000 . 1 . . . A 13 ARG CD . 30146 1 158 . 1 1 13 13 ARG N N 15 127.843 0.000 . 1 . . . A 13 ARG N . 30146 1 159 . 1 1 14 14 CYS H H 1 9.189 0.004 . 1 . . . A 14 CYS H . 30146 1 160 . 1 1 14 14 CYS HA H 1 5.714 0.002 . 1 . . . A 14 CYS HA . 30146 1 161 . 1 1 14 14 CYS HB2 H 1 2.620 0.007 . 2 . . . A 14 CYS HB2 . 30146 1 162 . 1 1 14 14 CYS HB3 H 1 2.996 0.002 . 2 . . . A 14 CYS HB3 . 30146 1 163 . 1 1 14 14 CYS CA C 13 55.572 0.000 . 1 . . . A 14 CYS CA . 30146 1 164 . 1 1 14 14 CYS CB C 13 46.943 0.001 . 1 . . . A 14 CYS CB . 30146 1 165 . 1 1 14 14 CYS N N 15 125.462 0.000 . 1 . . . A 14 CYS N . 30146 1 166 . 1 1 15 15 THR H H 1 9.181 0.004 . 1 . . . A 15 THR H . 30146 1 167 . 1 1 15 15 THR HA H 1 4.541 0.002 . 1 . . . A 15 THR HA . 30146 1 168 . 1 1 15 15 THR HB H 1 3.795 0.004 . 1 . . . A 15 THR HB . 30146 1 169 . 1 1 15 15 THR HG21 H 1 1.184 0.004 . 1 . . . A 15 THR HG21 . 30146 1 170 . 1 1 15 15 THR HG22 H 1 1.184 0.004 . 1 . . . A 15 THR HG22 . 30146 1 171 . 1 1 15 15 THR HG23 H 1 1.184 0.004 . 1 . . . A 15 THR HG23 . 30146 1 172 . 1 1 15 15 THR CA C 13 61.045 0.000 . 1 . . . A 15 THR CA . 30146 1 173 . 1 1 15 15 THR CB C 13 71.358 0.000 . 1 . . . A 15 THR CB . 30146 1 174 . 1 1 15 15 THR CG2 C 13 21.297 0.000 . 1 . . . A 15 THR CG2 . 30146 1 175 . 1 1 15 15 THR N N 15 119.140 0.000 . 1 . . . A 15 THR N . 30146 1 176 . 1 1 16 16 VAL H H 1 8.622 0.001 . 1 . . . A 16 VAL H . 30146 1 177 . 1 1 16 16 VAL HA H 1 4.601 0.004 . 1 . . . A 16 VAL HA . 30146 1 178 . 1 1 16 16 VAL HB H 1 2.000 0.002 . 1 . . . A 16 VAL HB . 30146 1 179 . 1 1 16 16 VAL HG11 H 1 0.937 0.005 . 1 . . . A 16 VAL HG11 . 30146 1 180 . 1 1 16 16 VAL HG12 H 1 0.937 0.005 . 1 . . . A 16 VAL HG12 . 30146 1 181 . 1 1 16 16 VAL HG13 H 1 0.937 0.005 . 1 . . . A 16 VAL HG13 . 30146 1 182 . 1 1 16 16 VAL HG21 H 1 0.935 0.004 . 1 . . . A 16 VAL HG21 . 30146 1 183 . 1 1 16 16 VAL HG22 H 1 0.935 0.004 . 1 . . . A 16 VAL HG22 . 30146 1 184 . 1 1 16 16 VAL HG23 H 1 0.935 0.004 . 1 . . . A 16 VAL HG23 . 30146 1 185 . 1 1 16 16 VAL CA C 13 62.152 0.000 . 1 . . . A 16 VAL CA . 30146 1 186 . 1 1 16 16 VAL CB C 13 32.980 0.000 . 1 . . . A 16 VAL CB . 30146 1 187 . 1 1 16 16 VAL CG1 C 13 20.716 0.000 . 1 . . . A 16 VAL CG1 . 30146 1 188 . 1 1 16 16 VAL CG2 C 13 21.315 0.000 . 1 . . . A 16 VAL CG2 . 30146 1 189 . 1 1 16 16 VAL N N 15 124.989 0.000 . 1 . . . A 16 VAL N . 30146 1 190 . 1 1 17 17 ARG H H 1 9.140 0.003 . 1 . . . A 17 ARG H . 30146 1 191 . 1 1 17 17 ARG HA H 1 4.916 0.004 . 1 . . . A 17 ARG HA . 30146 1 192 . 1 1 17 17 ARG HB2 H 1 1.729 0.002 . 2 . . . A 17 ARG HB2 . 30146 1 193 . 1 1 17 17 ARG HB3 H 1 1.801 0.003 . 2 . . . A 17 ARG HB3 . 30146 1 194 . 1 1 17 17 ARG HG2 H 1 1.522 0.007 . 2 . . . A 17 ARG HG2 . 30146 1 195 . 1 1 17 17 ARG HG3 H 1 1.584 0.004 . 2 . . . A 17 ARG HG3 . 30146 1 196 . 1 1 17 17 ARG HD2 H 1 3.013 0.002 . 2 . . . A 17 ARG HD2 . 30146 1 197 . 1 1 17 17 ARG HD3 H 1 3.065 0.002 . 2 . . . A 17 ARG HD3 . 30146 1 198 . 1 1 17 17 ARG HE H 1 7.037 0.002 . 1 . . . A 17 ARG HE . 30146 1 199 . 1 1 17 17 ARG CA C 13 52.650 0.000 . 1 . . . A 17 ARG CA . 30146 1 200 . 1 1 17 17 ARG CB C 13 31.342 0.008 . 1 . . . A 17 ARG CB . 30146 1 201 . 1 1 17 17 ARG CG C 13 26.873 0.000 . 1 . . . A 17 ARG CG . 30146 1 202 . 1 1 17 17 ARG CD C 13 43.606 0.001 . 1 . . . A 17 ARG CD . 30146 1 203 . 1 1 17 17 ARG N N 15 129.082 0.000 . 1 . . . A 17 ARG N . 30146 1 204 . 1 1 18 18 DPR CA C 13 61.041 0.000 . 1 . . . A 18 DPR CA . 30146 1 205 . 1 1 18 18 DPR CB C 13 30.435 0.015 . 1 . . . A 18 DPR CB . 30146 1 206 . 1 1 18 18 DPR CD C 13 50.905 0.028 . 1 . . . A 18 DPR CD . 30146 1 207 . 1 1 18 18 DPR CG C 13 27.785 0.000 . 1 . . . A 18 DPR CG . 30146 1 208 . 1 1 18 18 DPR HA H 1 4.742 0.006 . 1 . . . A 18 DPR HA . 30146 1 209 . 1 1 18 18 DPR HB2 H 1 2.292 0.000 . 2 . . . A 18 DPR HB2 . 30146 1 210 . 1 1 18 18 DPR HB3 H 1 1.939 0.000 . 2 . . . A 18 DPR HB3 . 30146 1 211 . 1 1 18 18 DPR HD2 H 1 3.844 0.012 . 2 . . . A 18 DPR HD2 . 30146 1 212 . 1 1 18 18 DPR HD3 H 1 3.575 0.003 . 2 . . . A 18 DPR HD3 . 30146 1 213 . 1 1 18 18 DPR HG2 H 1 2.154 0.000 . 2 . . . A 18 DPR HG2 . 30146 1 214 . 1 1 18 18 DPR HG3 H 1 2.010 0.000 . 2 . . . A 18 DPR HG3 . 30146 1 stop_ save_