################################### # 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 30342 _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-15N HSQC' . . . 30342 1 2 '2D 1H-13C HSQC' . . . 30342 1 3 '2D 1H-1H TOCSY' . . . 30342 1 4 '2D 1H-1H NOESY' . . . 30342 1 5 '2D 1H-13C HSQC' . . . 30342 1 6 '2D 1H-1H TOCSY' . . . 30342 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 ARG HA H 1 3.817 0.001 . 1 . . . . A 1 ARG HA . 30342 1 2 . 1 . 1 1 1 ARG HB2 H 1 1.693 0.001 . 2 . . . . A 1 ARG HB2 . 30342 1 3 . 1 . 1 1 1 ARG HB3 H 1 1.693 0.001 . 2 . . . . A 1 ARG HB3 . 30342 1 4 . 1 . 1 1 1 ARG HG2 H 1 1.428 0.000 . 2 . . . . A 1 ARG HG2 . 30342 1 5 . 1 . 1 1 1 ARG HG3 H 1 1.428 0.000 . 2 . . . . A 1 ARG HG3 . 30342 1 6 . 1 . 1 1 1 ARG HD2 H 1 2.980 0.002 . 2 . . . . A 1 ARG HD2 . 30342 1 7 . 1 . 1 1 1 ARG HD3 H 1 2.980 0.002 . 2 . . . . A 1 ARG HD3 . 30342 1 8 . 1 . 1 1 1 ARG CA C 13 55.403 0.000 . 1 . . . . A 1 ARG CA . 30342 1 9 . 1 . 1 1 1 ARG CB C 13 31.160 0.000 . 1 . . . . A 1 ARG CB . 30342 1 10 . 1 . 1 1 1 ARG CG C 13 26.126 0.000 . 1 . . . . A 1 ARG CG . 30342 1 11 . 1 . 1 1 1 ARG CD C 13 42.915 0.000 . 1 . . . . A 1 ARG CD . 30342 1 12 . 1 . 1 2 2 CYS HA H 1 4.465 0.002 . 1 . . . . A 2 CYS HA . 30342 1 13 . 1 . 1 2 2 CYS HB2 H 1 2.808 0.003 . 2 . . . . A 2 CYS HB2 . 30342 1 14 . 1 . 1 2 2 CYS HB3 H 1 3.098 0.005 . 2 . . . . A 2 CYS HB3 . 30342 1 15 . 1 . 1 2 2 CYS CA C 13 55.505 0.000 . 1 . . . . A 2 CYS CA . 30342 1 16 . 1 . 1 2 2 CYS CB C 13 40.615 0.052 . 1 . . . . A 2 CYS CB . 30342 1 17 . 1 . 1 3 3 LYS H H 1 8.369 0.002 . 1 . . . . A 3 LYS H . 30342 1 18 . 1 . 1 3 3 LYS HA H 1 4.442 0.002 . 1 . . . . A 3 LYS HA . 30342 1 19 . 1 . 1 3 3 LYS HB2 H 1 1.492 0.001 . 2 . . . . A 3 LYS HB2 . 30342 1 20 . 1 . 1 3 3 LYS HB3 H 1 1.464 0.000 . 2 . . . . A 3 LYS HB3 . 30342 1 21 . 1 . 1 3 3 LYS HG2 H 1 1.153 0.001 . 2 . . . . A 3 LYS HG2 . 30342 1 22 . 1 . 1 3 3 LYS HG3 H 1 1.106 0.000 . 2 . . . . A 3 LYS HG3 . 30342 1 23 . 1 . 1 3 3 LYS HD2 H 1 1.356 0.001 . 2 . . . . A 3 LYS HD2 . 30342 1 24 . 1 . 1 3 3 LYS HD3 H 1 1.473 0.001 . 2 . . . . A 3 LYS HD3 . 30342 1 25 . 1 . 1 3 3 LYS HE2 H 1 2.694 0.001 . 2 . . . . A 3 LYS HE2 . 30342 1 26 . 1 . 1 3 3 LYS HE3 H 1 2.694 0.001 . 2 . . . . A 3 LYS HE3 . 30342 1 27 . 1 . 1 3 3 LYS CA C 13 55.709 0.000 . 1 . . . . A 3 LYS CA . 30342 1 28 . 1 . 1 3 3 LYS CB C 13 34.528 0.003 . 1 . . . . A 3 LYS CB . 30342 1 29 . 1 . 1 3 3 LYS CG C 13 24.398 0.004 . 1 . . . . A 3 LYS CG . 30342 1 30 . 1 . 1 3 3 LYS CD C 13 29.194 0.000 . 1 . . . . A 3 LYS CD . 30342 1 31 . 1 . 1 3 3 LYS CE C 13 41.845 0.000 . 1 . . . . A 3 LYS CE . 30342 1 32 . 1 . 1 3 3 LYS N N 15 122.509 0.000 . 1 . . . . A 3 LYS N . 30342 1 33 . 1 . 1 4 4 THR H H 1 8.469 0.002 . 1 . . . . A 4 THR H . 30342 1 34 . 1 . 1 4 4 THR HA H 1 4.183 0.001 . 1 . . . . A 4 THR HA . 30342 1 35 . 1 . 1 4 4 THR HB H 1 3.809 0.001 . 1 . . . . A 4 THR HB . 30342 1 36 . 1 . 1 4 4 THR HG21 H 1 0.957 0.001 . 1 . . . . A 4 THR HG21 . 30342 1 37 . 1 . 1 4 4 THR HG22 H 1 0.957 0.001 . 1 . . . . A 4 THR HG22 . 30342 1 38 . 1 . 1 4 4 THR HG23 H 1 0.957 0.001 . 1 . . . . A 4 THR HG23 . 30342 1 39 . 1 . 1 4 4 THR CA C 13 61.425 0.000 . 1 . . . . A 4 THR CA . 30342 1 40 . 1 . 1 4 4 THR CB C 13 69.799 0.000 . 1 . . . . A 4 THR CB . 30342 1 41 . 1 . 1 4 4 THR CG2 C 13 21.219 0.000 . 1 . . . . A 4 THR CG2 . 30342 1 42 . 1 . 1 4 4 THR N N 15 117.614 0.000 . 1 . . . . A 4 THR N . 30342 1 43 . 1 . 1 5 5 CYS H H 1 8.642 0.000 . 1 . . . . A 5 CYS H . 30342 1 44 . 1 . 1 5 5 CYS HA H 1 4.968 0.001 . 1 . . . . A 5 CYS HA . 30342 1 45 . 1 . 1 5 5 CYS HB2 H 1 2.827 0.004 . 2 . . . . A 5 CYS HB2 . 30342 1 46 . 1 . 1 5 5 CYS HB3 H 1 2.734 0.002 . 2 . . . . A 5 CYS HB3 . 30342 1 47 . 1 . 1 5 5 CYS CA C 13 55.300 0.000 . 1 . . . . A 5 CYS CA . 30342 1 48 . 1 . 1 5 5 CYS CB C 13 45.223 0.005 . 1 . . . . A 5 CYS CB . 30342 1 49 . 1 . 1 5 5 CYS N N 15 124.221 0.000 . 1 . . . . A 5 CYS N . 30342 1 50 . 1 . 1 6 6 SER H H 1 8.530 0.001 . 1 . . . . A 6 SER H . 30342 1 51 . 1 . 1 6 6 SER HA H 1 4.249 0.003 . 1 . . . . A 6 SER HA . 30342 1 52 . 1 . 1 6 6 SER HB2 H 1 3.611 0.003 . 2 . . . . A 6 SER HB2 . 30342 1 53 . 1 . 1 6 6 SER HB3 H 1 3.554 0.004 . 2 . . . . A 6 SER HB3 . 30342 1 54 . 1 . 1 6 6 SER CA C 13 58.243 0.000 . 1 . . . . A 6 SER CA . 30342 1 55 . 1 . 1 6 6 SER CB C 13 63.814 0.025 . 1 . . . . A 6 SER CB . 30342 1 56 . 1 . 1 6 6 SER N N 15 118.392 0.000 . 1 . . . . A 6 SER N . 30342 1 57 . 1 . 1 7 7 LYS H H 1 8.702 0.002 . 1 . . . . A 7 LYS H . 30342 1 58 . 1 . 1 7 7 LYS HA H 1 3.873 0.002 . 1 . . . . A 7 LYS HA . 30342 1 59 . 1 . 1 7 7 LYS HB2 H 1 1.690 0.001 . 2 . . . . A 7 LYS HB2 . 30342 1 60 . 1 . 1 7 7 LYS HB3 H 1 1.601 0.001 . 2 . . . . A 7 LYS HB3 . 30342 1 61 . 1 . 1 7 7 LYS HG2 H 1 1.188 0.018 . 2 . . . . A 7 LYS HG2 . 30342 1 62 . 1 . 1 7 7 LYS HG3 H 1 1.149 0.002 . 2 . . . . A 7 LYS HG3 . 30342 1 63 . 1 . 1 7 7 LYS HD2 H 1 1.435 0.003 . 2 . . . . A 7 LYS HD2 . 30342 1 64 . 1 . 1 7 7 LYS HD3 H 1 1.435 0.003 . 2 . . . . A 7 LYS HD3 . 30342 1 65 . 1 . 1 7 7 LYS HE2 H 1 2.736 0.001 . 2 . . . . A 7 LYS HE2 . 30342 1 66 . 1 . 1 7 7 LYS HE3 H 1 2.736 0.001 . 2 . . . . A 7 LYS HE3 . 30342 1 67 . 1 . 1 7 7 LYS CA C 13 56.749 0.000 . 1 . . . . A 7 LYS CA . 30342 1 68 . 1 . 1 7 7 LYS CB C 13 30.797 0.003 . 1 . . . . A 7 LYS CB . 30342 1 69 . 1 . 1 7 7 LYS CG C 13 24.654 0.000 . 1 . . . . A 7 LYS CG . 30342 1 70 . 1 . 1 7 7 LYS CD C 13 28.899 0.000 . 1 . . . . A 7 LYS CD . 30342 1 71 . 1 . 1 7 7 LYS CE C 13 41.941 0.000 . 1 . . . . A 7 LYS CE . 30342 1 72 . 1 . 1 7 7 LYS N N 15 123.016 0.000 . 1 . . . . A 7 LYS N . 30342 1 73 . 1 . 1 8 8 GLY H H 1 8.447 0.002 . 1 . . . . A 8 GLY H . 30342 1 74 . 1 . 1 8 8 GLY HA2 H 1 3.889 0.003 . 2 . . . . A 8 GLY HA2 . 30342 1 75 . 1 . 1 8 8 GLY HA3 H 1 3.447 0.002 . 2 . . . . A 8 GLY HA3 . 30342 1 76 . 1 . 1 8 8 GLY CA C 13 45.119 0.008 . 1 . . . . A 8 GLY CA . 30342 1 77 . 1 . 1 8 8 GLY N N 15 107.178 0.000 . 1 . . . . A 8 GLY N . 30342 1 78 . 1 . 1 9 9 ARG H H 1 7.833 0.002 . 1 . . . . A 9 ARG H . 30342 1 79 . 1 . 1 9 9 ARG HA H 1 4.290 0.002 . 1 . . . . A 9 ARG HA . 30342 1 80 . 1 . 1 9 9 ARG HB2 H 1 1.627 0.002 . 2 . . . . A 9 ARG HB2 . 30342 1 81 . 1 . 1 9 9 ARG HB3 H 1 1.573 0.001 . 2 . . . . A 9 ARG HB3 . 30342 1 82 . 1 . 1 9 9 ARG HG2 H 1 1.404 0.002 . 2 . . . . A 9 ARG HG2 . 30342 1 83 . 1 . 1 9 9 ARG HG3 H 1 1.326 0.001 . 2 . . . . A 9 ARG HG3 . 30342 1 84 . 1 . 1 9 9 ARG HD2 H 1 2.958 0.002 . 2 . . . . A 9 ARG HD2 . 30342 1 85 . 1 . 1 9 9 ARG HD3 H 1 2.958 0.002 . 2 . . . . A 9 ARG HD3 . 30342 1 86 . 1 . 1 9 9 ARG HE H 1 7.002 0.005 . 1 . . . . A 9 ARG HE . 30342 1 87 . 1 . 1 9 9 ARG CA C 13 55.237 0.000 . 1 . . . . A 9 ARG CA . 30342 1 88 . 1 . 1 9 9 ARG CB C 13 30.955 0.005 . 1 . . . . A 9 ARG CB . 30342 1 89 . 1 . 1 9 9 ARG CG C 13 26.875 0.000 . 1 . . . . A 9 ARG CG . 30342 1 90 . 1 . 1 9 9 ARG CD C 13 43.300 0.000 . 1 . . . . A 9 ARG CD . 30342 1 91 . 1 . 1 9 9 ARG N N 15 120.407 0.000 . 1 . . . . A 9 ARG N . 30342 1 92 . 1 . 1 9 9 ARG NE N 15 84.311 0.000 . 1 . . . . A 9 ARG NE . 30342 1 93 . 1 . 1 10 10 CYS H H 1 8.518 0.001 . 1 . . . . A 10 CYS H . 30342 1 94 . 1 . 1 10 10 CYS HA H 1 4.936 0.001 . 1 . . . . A 10 CYS HA . 30342 1 95 . 1 . 1 10 10 CYS HB2 H 1 2.780 0.000 . 2 . . . . A 10 CYS HB2 . 30342 1 96 . 1 . 1 10 10 CYS HB3 H 1 2.674 0.001 . 2 . . . . A 10 CYS HB3 . 30342 1 97 . 1 . 1 10 10 CYS CA C 13 55.015 0.000 . 1 . . . . A 10 CYS CA . 30342 1 98 . 1 . 1 10 10 CYS CB C 13 44.477 0.010 . 1 . . . . A 10 CYS CB . 30342 1 99 . 1 . 1 10 10 CYS N N 15 121.295 0.000 . 1 . . . . A 10 CYS N . 30342 1 100 . 1 . 1 11 11 ARG H H 1 8.626 0.004 . 1 . . . . A 11 ARG H . 30342 1 101 . 1 . 1 11 11 ARG HA H 1 4.543 0.003 . 1 . . . . A 11 ARG HA . 30342 1 102 . 1 . 1 11 11 ARG HB2 H 1 1.610 0.001 . 2 . . . . A 11 ARG HB2 . 30342 1 103 . 1 . 1 11 11 ARG HB3 H 1 1.500 0.002 . 2 . . . . A 11 ARG HB3 . 30342 1 104 . 1 . 1 11 11 ARG HG2 H 1 1.412 0.001 . 2 . . . . A 11 ARG HG2 . 30342 1 105 . 1 . 1 11 11 ARG HG3 H 1 1.412 0.001 . 2 . . . . A 11 ARG HG3 . 30342 1 106 . 1 . 1 11 11 ARG HD2 H 1 2.965 0.003 . 2 . . . . A 11 ARG HD2 . 30342 1 107 . 1 . 1 11 11 ARG HD3 H 1 2.965 0.003 . 2 . . . . A 11 ARG HD3 . 30342 1 108 . 1 . 1 11 11 ARG HE H 1 7.037 0.000 . 1 . . . . A 11 ARG HE . 30342 1 109 . 1 . 1 11 11 ARG CA C 13 53.377 0.000 . 1 . . . . A 11 ARG CA . 30342 1 110 . 1 . 1 11 11 ARG CB C 13 30.693 0.000 . 1 . . . . A 11 ARG CB . 30342 1 111 . 1 . 1 11 11 ARG CG C 13 26.146 0.000 . 1 . . . . A 11 ARG CG . 30342 1 112 . 1 . 1 11 11 ARG CD C 13 43.107 0.000 . 1 . . . . A 11 ARG CD . 30342 1 113 . 1 . 1 11 11 ARG N N 15 123.138 0.000 . 1 . . . . A 11 ARG N . 30342 1 114 . 1 . 1 11 11 ARG NE N 15 84.365 0.000 . 1 . . . . A 11 ARG NE . 30342 1 115 . 1 . 1 12 12 PRO HA H 1 4.276 0.002 . 1 . . . . A 12 PRO HA . 30342 1 116 . 1 . 1 12 12 PRO HB2 H 1 2.060 0.001 . 2 . . . . A 12 PRO HB2 . 30342 1 117 . 1 . 1 12 12 PRO HB3 H 1 1.616 0.002 . 2 . . . . A 12 PRO HB3 . 30342 1 118 . 1 . 1 12 12 PRO HG2 H 1 1.744 0.001 . 2 . . . . A 12 PRO HG2 . 30342 1 119 . 1 . 1 12 12 PRO HG3 H 1 1.832 0.001 . 2 . . . . A 12 PRO HG3 . 30342 1 120 . 1 . 1 12 12 PRO HD2 H 1 3.414 0.001 . 2 . . . . A 12 PRO HD2 . 30342 1 121 . 1 . 1 12 12 PRO HD3 H 1 3.581 0.001 . 2 . . . . A 12 PRO HD3 . 30342 1 122 . 1 . 1 12 12 PRO CA C 13 62.926 0.000 . 1 . . . . A 12 PRO CA . 30342 1 123 . 1 . 1 12 12 PRO CB C 13 32.063 0.007 . 1 . . . . A 12 PRO CB . 30342 1 124 . 1 . 1 12 12 PRO CG C 13 27.268 0.004 . 1 . . . . A 12 PRO CG . 30342 1 125 . 1 . 1 12 12 PRO CD C 13 50.526 0.001 . 1 . . . . A 12 PRO CD . 30342 1 126 . 1 . 1 13 13 LYS H H 1 7.975 0.002 . 1 . . . . A 13 LYS H . 30342 1 127 . 1 . 1 13 13 LYS HA H 1 4.409 0.005 . 1 . . . . A 13 LYS HA . 30342 1 128 . 1 . 1 13 13 LYS HB2 H 1 1.568 0.001 . 2 . . . . A 13 LYS HB2 . 30342 1 129 . 1 . 1 13 13 LYS HB3 H 1 1.368 0.001 . 2 . . . . A 13 LYS HB3 . 30342 1 130 . 1 . 1 13 13 LYS HG2 H 1 1.197 0.001 . 2 . . . . A 13 LYS HG2 . 30342 1 131 . 1 . 1 13 13 LYS HG3 H 1 1.197 0.001 . 2 . . . . A 13 LYS HG3 . 30342 1 132 . 1 . 1 13 13 LYS HD2 H 1 1.433 0.001 . 2 . . . . A 13 LYS HD2 . 30342 1 133 . 1 . 1 13 13 LYS HD3 H 1 1.433 0.001 . 2 . . . . A 13 LYS HD3 . 30342 1 134 . 1 . 1 13 13 LYS HE2 H 1 2.743 0.002 . 2 . . . . A 13 LYS HE2 . 30342 1 135 . 1 . 1 13 13 LYS HE3 H 1 2.743 0.002 . 2 . . . . A 13 LYS HE3 . 30342 1 136 . 1 . 1 13 13 LYS CA C 13 55.898 0.000 . 1 . . . . A 13 LYS CA . 30342 1 137 . 1 . 1 13 13 LYS CB C 13 33.269 0.003 . 1 . . . . A 13 LYS CB . 30342 1 138 . 1 . 1 13 13 LYS CG C 13 24.880 0.000 . 1 . . . . A 13 LYS CG . 30342 1 139 . 1 . 1 13 13 LYS CD C 13 29.354 0.000 . 1 . . . . A 13 LYS CD . 30342 1 140 . 1 . 1 13 13 LYS CE C 13 41.861 0.000 . 1 . . . . A 13 LYS CE . 30342 1 141 . 1 . 1 13 13 LYS N N 15 123.183 0.000 . 1 . . . . A 13 LYS N . 30342 1 142 . 1 . 1 14 14 PRO HA H 1 4.101 0.001 . 1 . . . . A 14 PRO HA . 30342 1 143 . 1 . 1 14 14 PRO HB2 H 1 2.056 0.001 . 2 . . . . A 14 PRO HB2 . 30342 1 144 . 1 . 1 14 14 PRO HB3 H 1 1.662 0.001 . 2 . . . . A 14 PRO HB3 . 30342 1 145 . 1 . 1 14 14 PRO HG2 H 1 1.816 0.002 . 2 . . . . A 14 PRO HG2 . 30342 1 146 . 1 . 1 14 14 PRO HG3 H 1 1.767 0.001 . 2 . . . . A 14 PRO HG3 . 30342 1 147 . 1 . 1 14 14 PRO HD2 H 1 3.570 0.002 . 2 . . . . A 14 PRO HD2 . 30342 1 148 . 1 . 1 14 14 PRO HD3 H 1 3.459 0.002 . 2 . . . . A 14 PRO HD3 . 30342 1 149 . 1 . 1 14 14 PRO CA C 13 63.719 0.000 . 1 . . . . A 14 PRO CA . 30342 1 150 . 1 . 1 14 14 PRO CB C 13 31.930 0.009 . 1 . . . . A 14 PRO CB . 30342 1 151 . 1 . 1 14 14 PRO CG C 13 27.216 0.010 . 1 . . . . A 14 PRO CG . 30342 1 152 . 1 . 1 14 14 PRO CD C 13 50.475 0.010 . 1 . . . . A 14 PRO CD . 30342 1 153 . 1 . 1 15 15 ASN H H 1 8.329 0.001 . 1 . . . . A 15 ASN H . 30342 1 154 . 1 . 1 15 15 ASN HA H 1 4.334 0.003 . 1 . . . . A 15 ASN HA . 30342 1 155 . 1 . 1 15 15 ASN HB2 H 1 2.634 0.003 . 2 . . . . A 15 ASN HB2 . 30342 1 156 . 1 . 1 15 15 ASN HB3 H 1 2.584 0.001 . 2 . . . . A 15 ASN HB3 . 30342 1 157 . 1 . 1 15 15 ASN HD21 H 1 6.741 0.001 . 2 . . . . A 15 ASN HD21 . 30342 1 158 . 1 . 1 15 15 ASN HD22 H 1 7.456 0.000 . 2 . . . . A 15 ASN HD22 . 30342 1 159 . 1 . 1 15 15 ASN CA C 13 53.351 0.000 . 1 . . . . A 15 ASN CA . 30342 1 160 . 1 . 1 15 15 ASN CB C 13 37.761 0.008 . 1 . . . . A 15 ASN CB . 30342 1 161 . 1 . 1 15 15 ASN N N 15 115.148 0.000 . 1 . . . . A 15 ASN N . 30342 1 162 . 1 . 1 15 15 ASN ND2 N 15 113.390 0.006 . 1 . . . . A 15 ASN ND2 . 30342 1 163 . 1 . 1 16 16 CYS H H 1 8.037 0.001 . 1 . . . . A 16 CYS H . 30342 1 164 . 1 . 1 16 16 CYS HA H 1 4.421 0.008 . 1 . . . . A 16 CYS HA . 30342 1 165 . 1 . 1 16 16 CYS HB2 H 1 2.989 0.001 . 2 . . . . A 16 CYS HB2 . 30342 1 166 . 1 . 1 16 16 CYS HB3 H 1 2.741 0.001 . 2 . . . . A 16 CYS HB3 . 30342 1 167 . 1 . 1 16 16 CYS CA C 13 53.632 0.000 . 1 . . . . A 16 CYS CA . 30342 1 168 . 1 . 1 16 16 CYS CB C 13 40.643 0.019 . 1 . . . . A 16 CYS CB . 30342 1 169 . 1 . 1 16 16 CYS N N 15 118.344 0.000 . 1 . . . . A 16 CYS N . 30342 1 170 . 1 . 1 17 17 GLY H H 1 8.399 0.001 . 1 . . . . A 17 GLY H . 30342 1 171 . 1 . 1 17 17 GLY HA2 H 1 3.687 0.001 . 2 . . . . A 17 GLY HA2 . 30342 1 172 . 1 . 1 17 17 GLY HA3 H 1 3.687 0.001 . 2 . . . . A 17 GLY HA3 . 30342 1 173 . 1 . 1 17 17 GLY CA C 13 44.918 0.000 . 1 . . . . A 17 GLY CA . 30342 1 174 . 1 . 1 17 17 GLY N N 15 112.340 0.000 . 1 . . . . A 17 GLY N . 30342 1 175 . 1 . 1 18 18 NH2 N N 15 107.477 0.000 . 1 . . . . A 18 NH2 N . 30342 1 176 . 1 . 1 18 18 NH2 HN1 H 1 6.950 0.000 . 1 . . . . A 18 NH2 HN1 . 30342 1 177 . 1 . 1 18 18 NH2 HN2 H 1 7.305 0.000 . 1 . . . . A 18 NH2 HN2 . 30342 1 stop_ save_