################################### # 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 31226 _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 COSY' . . . 31226 1 2 '2D TOCSY' . . . 31226 1 3 '2D NOESY' . . . 31226 1 4 '2D 1H-13C HSQC' . . . 31226 1 5 '2D 1H-15N HSQC' . . . 31226 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 CYS HA H 1 4.418 0.020 . 1 . . . . A 1 CYS HA . 31226 1 2 . 1 . 1 1 1 CYS HB2 H 1 2.806 0.020 . 2 . . . . A 1 CYS HB2 . 31226 1 3 . 1 . 1 1 1 CYS HB3 H 1 3.578 0.020 . 2 . . . . A 1 CYS HB3 . 31226 1 4 . 1 . 1 1 1 CYS CA C 13 56.810 0.400 . 1 . . . . A 1 CYS CA . 31226 1 5 . 1 . 1 1 1 CYS CB C 13 38.117 0.400 . 1 . . . . A 1 CYS CB . 31226 1 6 . 1 . 1 2 2 PRO HA H 1 4.083 0.020 . 1 . . . . A 2 PRO HA . 31226 1 7 . 1 . 1 2 2 PRO HB2 H 1 1.935 0.020 . 2 . . . . A 2 PRO HB2 . 31226 1 8 . 1 . 1 2 2 PRO HB3 H 1 1.030 0.020 . 2 . . . . A 2 PRO HB3 . 31226 1 9 . 1 . 1 2 2 PRO HG2 H 1 1.717 0.020 . 2 . . . . A 2 PRO HG2 . 31226 1 10 . 1 . 1 2 2 PRO HG3 H 1 1.629 0.020 . 2 . . . . A 2 PRO HG3 . 31226 1 11 . 1 . 1 2 2 PRO HD2 H 1 3.367 0.020 . 2 . . . . A 2 PRO HD2 . 31226 1 12 . 1 . 1 2 2 PRO HD3 H 1 3.233 0.020 . 2 . . . . A 2 PRO HD3 . 31226 1 13 . 1 . 1 2 2 PRO CA C 13 61.571 0.400 . 1 . . . . A 2 PRO CA . 31226 1 14 . 1 . 1 2 2 PRO CB C 13 31.079 0.400 . 1 . . . . A 2 PRO CB . 31226 1 15 . 1 . 1 2 2 PRO CG C 13 24.145 0.400 . 1 . . . . A 2 PRO CG . 31226 1 16 . 1 . 1 2 2 PRO CD C 13 49.028 0.400 . 1 . . . . A 2 PRO CD . 31226 1 17 . 1 . 1 3 3 ASP HA H 1 4.250 0.020 . 1 . . . . A 3 ASP HA . 31226 1 18 . 1 . 1 3 3 ASP HB2 H 1 2.858 0.020 . 2 . . . . A 3 ASP HB2 . 31226 1 19 . 1 . 1 3 3 ASP HB3 H 1 2.701 0.020 . 2 . . . . A 3 ASP HB3 . 31226 1 20 . 1 . 1 3 3 ASP CA C 13 53.742 0.400 . 1 . . . . A 3 ASP CA . 31226 1 21 . 1 . 1 3 3 ASP CB C 13 40.564 0.400 . 1 . . . . A 3 ASP CB . 31226 1 22 . 1 . 1 4 4 ALA H H 1 8.649 0.020 . 1 . . . . A 4 ALA H . 31226 1 23 . 1 . 1 4 4 ALA HA H 1 4.343 0.020 . 1 . . . . A 4 ALA HA . 31226 1 24 . 1 . 1 4 4 ALA HB1 H 1 1.296 0.020 . 1 . . . . A 4 ALA HB1 . 31226 1 25 . 1 . 1 4 4 ALA HB2 H 1 1.296 0.020 . 1 . . . . A 4 ALA HB2 . 31226 1 26 . 1 . 1 4 4 ALA HB3 H 1 1.296 0.020 . 1 . . . . A 4 ALA HB3 . 31226 1 27 . 1 . 1 4 4 ALA CA C 13 52.252 0.400 . 1 . . . . A 4 ALA CA . 31226 1 28 . 1 . 1 4 4 ALA CB C 13 19.461 0.400 . 1 . . . . A 4 ALA CB . 31226 1 29 . 1 . 1 4 4 ALA N N 15 124.224 0.400 . 1 . . . . A 4 ALA N . 31226 1 30 . 1 . 1 5 5 VAL H H 1 8.154 0.020 . 1 . . . . A 5 VAL H . 31226 1 31 . 1 . 1 5 5 VAL HA H 1 4.015 0.020 . 1 . . . . A 5 VAL HA . 31226 1 32 . 1 . 1 5 5 VAL HB H 1 1.940 0.020 . 1 . . . . A 5 VAL HB . 31226 1 33 . 1 . 1 5 5 VAL HG11 H 1 0.823 0.020 . 2 . . . . A 5 VAL HG11 . 31226 1 34 . 1 . 1 5 5 VAL HG12 H 1 0.823 0.020 . 2 . . . . A 5 VAL HG12 . 31226 1 35 . 1 . 1 5 5 VAL HG13 H 1 0.823 0.020 . 2 . . . . A 5 VAL HG13 . 31226 1 36 . 1 . 1 5 5 VAL HG21 H 1 0.880 0.020 . 2 . . . . A 5 VAL HG21 . 31226 1 37 . 1 . 1 5 5 VAL HG22 H 1 0.880 0.020 . 2 . . . . A 5 VAL HG22 . 31226 1 38 . 1 . 1 5 5 VAL HG23 H 1 0.880 0.020 . 2 . . . . A 5 VAL HG23 . 31226 1 39 . 1 . 1 5 5 VAL CA C 13 62.312 0.400 . 1 . . . . A 5 VAL CA . 31226 1 40 . 1 . 1 5 5 VAL CB C 13 33.087 0.400 . 1 . . . . A 5 VAL CB . 31226 1 41 . 1 . 1 5 5 VAL CG1 C 13 21.068 0.400 . 2 . . . . A 5 VAL CG1 . 31226 1 42 . 1 . 1 5 5 VAL CG2 C 13 20.943 0.400 . 2 . . . . A 5 VAL CG2 . 31226 1 43 . 1 . 1 5 5 VAL N N 15 120.052 0.400 . 1 . . . . A 5 VAL N . 31226 1 44 . 1 . 1 6 6 TYR H H 1 8.429 0.020 . 1 . . . . A 6 TYR H . 31226 1 45 . 1 . 1 6 6 TYR HA H 1 4.614 0.020 . 1 . . . . A 6 TYR HA . 31226 1 46 . 1 . 1 6 6 TYR HB2 H 1 2.879 0.020 . 2 . . . . A 6 TYR HB2 . 31226 1 47 . 1 . 1 6 6 TYR HB3 H 1 3.040 0.020 . 2 . . . . A 6 TYR HB3 . 31226 1 48 . 1 . 1 6 6 TYR HD1 H 1 7.095 0.020 . 1 . . . . A 6 TYR HD1 . 31226 1 49 . 1 . 1 6 6 TYR HD2 H 1 7.095 0.020 . 1 . . . . A 6 TYR HD2 . 31226 1 50 . 1 . 1 6 6 TYR HE1 H 1 6.809 0.020 . 1 . . . . A 6 TYR HE1 . 31226 1 51 . 1 . 1 6 6 TYR HE2 H 1 6.809 0.020 . 1 . . . . A 6 TYR HE2 . 31226 1 52 . 1 . 1 6 6 TYR CA C 13 57.734 0.400 . 1 . . . . A 6 TYR CA . 31226 1 53 . 1 . 1 6 6 TYR CB C 13 39.405 0.400 . 1 . . . . A 6 TYR CB . 31226 1 54 . 1 . 1 6 6 TYR CD2 C 13 133.309 0.400 . 3 . . . . A 6 TYR CD2 . 31226 1 55 . 1 . 1 6 6 TYR CE2 C 13 118.447 0.400 . 3 . . . . A 6 TYR CE2 . 31226 1 56 . 1 . 1 6 6 TYR N N 15 125.024 0.400 . 1 . . . . A 6 TYR N . 31226 1 57 . 1 . 1 7 7 THR H H 1 8.013 0.020 . 1 . . . . A 7 THR H . 31226 1 58 . 1 . 1 7 7 THR HA H 1 4.369 0.020 . 1 . . . . A 7 THR HA . 31226 1 59 . 1 . 1 7 7 THR HB H 1 4.141 0.020 . 1 . . . . A 7 THR HB . 31226 1 60 . 1 . 1 7 7 THR HG21 H 1 1.169 0.020 . 1 . . . . A 7 THR HG21 . 31226 1 61 . 1 . 1 7 7 THR HG22 H 1 1.169 0.020 . 1 . . . . A 7 THR HG22 . 31226 1 62 . 1 . 1 7 7 THR HG23 H 1 1.169 0.020 . 1 . . . . A 7 THR HG23 . 31226 1 63 . 1 . 1 7 7 THR CA C 13 61.512 0.400 . 1 . . . . A 7 THR CA . 31226 1 64 . 1 . 1 7 7 THR CB C 13 70.153 0.400 . 1 . . . . A 7 THR CB . 31226 1 65 . 1 . 1 7 7 THR CG2 C 13 21.799 0.400 . 1 . . . . A 7 THR CG2 . 31226 1 66 . 1 . 1 7 7 THR N N 15 115.869 0.400 . 1 . . . . A 7 THR N . 31226 1 67 . 1 . 1 8 8 CYS H H 1 8.399 0.020 . 1 . . . . A 8 CYS H . 31226 1 68 . 1 . 1 8 8 CYS HA H 1 4.945 0.020 . 1 . . . . A 8 CYS HA . 31226 1 69 . 1 . 1 8 8 CYS HB2 H 1 2.571 0.020 . 2 . . . . A 8 CYS HB2 . 31226 1 70 . 1 . 1 8 8 CYS HB3 H 1 3.267 0.020 . 2 . . . . A 8 CYS HB3 . 31226 1 71 . 1 . 1 8 8 CYS CA C 13 55.878 0.400 . 1 . . . . A 8 CYS CA . 31226 1 72 . 1 . 1 8 8 CYS CB C 13 38.217 0.400 . 1 . . . . A 8 CYS CB . 31226 1 73 . 1 . 1 8 8 CYS N N 15 121.166 0.400 . 1 . . . . A 8 CYS N . 31226 1 74 . 1 . 1 9 9 ARG H H 1 8.496 0.020 . 1 . . . . A 9 ARG H . 31226 1 75 . 1 . 1 9 9 ARG HA H 1 4.502 0.020 . 1 . . . . A 9 ARG HA . 31226 1 76 . 1 . 1 9 9 ARG HB2 H 1 1.880 0.020 . 2 . . . . A 9 ARG HB2 . 31226 1 77 . 1 . 1 9 9 ARG HB3 H 1 1.705 0.020 . 2 . . . . A 9 ARG HB3 . 31226 1 78 . 1 . 1 9 9 ARG HG2 H 1 1.595 0.020 . 2 . . . . A 9 ARG HG2 . 31226 1 79 . 1 . 1 9 9 ARG HG3 H 1 1.595 0.020 . 2 . . . . A 9 ARG HG3 . 31226 1 80 . 1 . 1 9 9 ARG HD2 H 1 3.202 0.020 . 2 . . . . A 9 ARG HD2 . 31226 1 81 . 1 . 1 9 9 ARG HD3 H 1 3.202 0.020 . 2 . . . . A 9 ARG HD3 . 31226 1 82 . 1 . 1 9 9 ARG HE H 1 7.234 0.020 . 1 . . . . A 9 ARG HE . 31226 1 83 . 1 . 1 9 9 ARG CA C 13 55.297 0.400 . 1 . . . . A 9 ARG CA . 31226 1 84 . 1 . 1 9 9 ARG CB C 13 28.818 0.400 . 1 . . . . A 9 ARG CB . 31226 1 85 . 1 . 1 9 9 ARG CG C 13 27.264 0.400 . 1 . . . . A 9 ARG CG . 31226 1 86 . 1 . 1 9 9 ARG CD C 13 43.612 0.400 . 1 . . . . A 9 ARG CD . 31226 1 87 . 1 . 1 9 9 ARG N N 15 122.288 0.400 . 1 . . . . A 9 ARG N . 31226 1 88 . 1 . 1 9 9 ARG NE N 15 125.577 0.400 . 1 . . . . A 9 ARG NE . 31226 1 89 . 1 . 1 10 10 PRO HA H 1 4.359 0.020 . 1 . . . . A 10 PRO HA . 31226 1 90 . 1 . 1 10 10 PRO HB2 H 1 2.337 0.020 . 2 . . . . A 10 PRO HB2 . 31226 1 91 . 1 . 1 10 10 PRO HB3 H 1 1.873 0.020 . 2 . . . . A 10 PRO HB3 . 31226 1 92 . 1 . 1 10 10 PRO HG2 H 1 2.151 0.020 . 2 . . . . A 10 PRO HG2 . 31226 1 93 . 1 . 1 10 10 PRO HG3 H 1 2.025 0.020 . 2 . . . . A 10 PRO HG3 . 31226 1 94 . 1 . 1 10 10 PRO HD2 H 1 3.866 0.020 . 2 . . . . A 10 PRO HD2 . 31226 1 95 . 1 . 1 10 10 PRO HD3 H 1 3.577 0.020 . 2 . . . . A 10 PRO HD3 . 31226 1 96 . 1 . 1 10 10 PRO CA C 13 64.667 0.400 . 1 . . . . A 10 PRO CA . 31226 1 97 . 1 . 1 10 10 PRO CB C 13 31.641 0.400 . 1 . . . . A 10 PRO CB . 31226 1 98 . 1 . 1 10 10 PRO CG C 13 28.064 0.400 . 1 . . . . A 10 PRO CG . 31226 1 99 . 1 . 1 10 10 PRO CD C 13 50.608 0.400 . 1 . . . . A 10 PRO CD . 31226 1 100 . 1 . 1 11 11 GLY H H 1 8.906 0.020 . 1 . . . . A 11 GLY H . 31226 1 101 . 1 . 1 11 11 GLY HA2 H 1 4.334 0.020 . 2 . . . . A 11 GLY HA2 . 31226 1 102 . 1 . 1 11 11 GLY HA3 H 1 3.672 0.020 . 2 . . . . A 11 GLY HA3 . 31226 1 103 . 1 . 1 11 11 GLY CA C 13 45.220 0.400 . 1 . . . . A 11 GLY CA . 31226 1 104 . 1 . 1 11 11 GLY N N 15 113.619 0.400 . 1 . . . . A 11 GLY N . 31226 1 105 . 1 . 1 12 12 GLN H H 1 8.175 0.020 . 1 . . . . A 12 GLN H . 31226 1 106 . 1 . 1 12 12 GLN HA H 1 4.877 0.020 . 1 . . . . A 12 GLN HA . 31226 1 107 . 1 . 1 12 12 GLN HB2 H 1 2.005 0.020 . 2 . . . . A 12 GLN HB2 . 31226 1 108 . 1 . 1 12 12 GLN HB3 H 1 2.005 0.020 . 2 . . . . A 12 GLN HB3 . 31226 1 109 . 1 . 1 12 12 GLN HG2 H 1 2.356 0.020 . 2 . . . . A 12 GLN HG2 . 31226 1 110 . 1 . 1 12 12 GLN HG3 H 1 2.250 0.020 . 2 . . . . A 12 GLN HG3 . 31226 1 111 . 1 . 1 12 12 GLN HE21 H 1 7.656 0.020 . 2 . . . . A 12 GLN HE21 . 31226 1 112 . 1 . 1 12 12 GLN HE22 H 1 6.719 0.020 . 2 . . . . A 12 GLN HE22 . 31226 1 113 . 1 . 1 12 12 GLN CB C 13 31.993 0.400 . 1 . . . . A 12 GLN CB . 31226 1 114 . 1 . 1 12 12 GLN CG C 13 34.346 0.400 . 1 . . . . A 12 GLN CG . 31226 1 115 . 1 . 1 12 12 GLN N N 15 118.771 0.400 . 1 . . . . A 12 GLN N . 31226 1 116 . 1 . 1 12 12 GLN NE2 N 15 112.178 0.400 . 1 . . . . A 12 GLN NE2 . 31226 1 117 . 1 . 1 13 13 THR H H 1 9.009 0.020 . 1 . . . . A 13 THR H . 31226 1 118 . 1 . 1 13 13 THR HA H 1 4.598 0.020 . 1 . . . . A 13 THR HA . 31226 1 119 . 1 . 1 13 13 THR HB H 1 4.104 0.020 . 1 . . . . A 13 THR HB . 31226 1 120 . 1 . 1 13 13 THR HG21 H 1 1.192 0.020 . 1 . . . . A 13 THR HG21 . 31226 1 121 . 1 . 1 13 13 THR HG22 H 1 1.192 0.020 . 1 . . . . A 13 THR HG22 . 31226 1 122 . 1 . 1 13 13 THR HG23 H 1 1.192 0.020 . 1 . . . . A 13 THR HG23 . 31226 1 123 . 1 . 1 13 13 THR CA C 13 60.706 0.400 . 1 . . . . A 13 THR CA . 31226 1 124 . 1 . 1 13 13 THR CB C 13 71.680 0.400 . 1 . . . . A 13 THR CB . 31226 1 125 . 1 . 1 13 13 THR CG2 C 13 21.320 0.400 . 1 . . . . A 13 THR CG2 . 31226 1 126 . 1 . 1 13 13 THR N N 15 114.322 0.400 . 1 . . . . A 13 THR N . 31226 1 127 . 1 . 1 14 14 CYS H H 1 8.703 0.020 . 1 . . . . A 14 CYS H . 31226 1 128 . 1 . 1 14 14 CYS HA H 1 5.114 0.020 . 1 . . . . A 14 CYS HA . 31226 1 129 . 1 . 1 14 14 CYS HB2 H 1 2.959 0.020 . 2 . . . . A 14 CYS HB2 . 31226 1 130 . 1 . 1 14 14 CYS HB3 H 1 2.870 0.020 . 2 . . . . A 14 CYS HB3 . 31226 1 131 . 1 . 1 14 14 CYS CA C 13 56.091 0.400 . 1 . . . . A 14 CYS CA . 31226 1 132 . 1 . 1 14 14 CYS CB C 13 38.940 0.400 . 1 . . . . A 14 CYS CB . 31226 1 133 . 1 . 1 14 14 CYS N N 15 121.829 0.400 . 1 . . . . A 14 CYS N . 31226 1 134 . 1 . 1 15 15 CYS H H 1 9.319 0.020 . 1 . . . . A 15 CYS H . 31226 1 135 . 1 . 1 15 15 CYS HA H 1 4.950 0.020 . 1 . . . . A 15 CYS HA . 31226 1 136 . 1 . 1 15 15 CYS HB2 H 1 3.103 0.020 . 2 . . . . A 15 CYS HB2 . 31226 1 137 . 1 . 1 15 15 CYS HB3 H 1 3.282 0.020 . 2 . . . . A 15 CYS HB3 . 31226 1 138 . 1 . 1 15 15 CYS CA C 13 55.478 0.400 . 1 . . . . A 15 CYS CA . 31226 1 139 . 1 . 1 15 15 CYS CB C 13 41.583 0.400 . 1 . . . . A 15 CYS CB . 31226 1 140 . 1 . 1 15 15 CYS N N 15 128.779 0.400 . 1 . . . . A 15 CYS N . 31226 1 141 . 1 . 1 16 16 ARG H H 1 8.904 0.020 . 1 . . . . A 16 ARG H . 31226 1 142 . 1 . 1 16 16 ARG HA H 1 3.890 0.020 . 1 . . . . A 16 ARG HA . 31226 1 143 . 1 . 1 16 16 ARG HB2 H 1 1.697 0.020 . 2 . . . . A 16 ARG HB2 . 31226 1 144 . 1 . 1 16 16 ARG HB3 H 1 1.412 0.020 . 2 . . . . A 16 ARG HB3 . 31226 1 145 . 1 . 1 16 16 ARG HG2 H 1 1.297 0.020 . 2 . . . . A 16 ARG HG2 . 31226 1 146 . 1 . 1 16 16 ARG HG3 H 1 1.011 0.020 . 2 . . . . A 16 ARG HG3 . 31226 1 147 . 1 . 1 16 16 ARG HD2 H 1 2.898 0.020 . 2 . . . . A 16 ARG HD2 . 31226 1 148 . 1 . 1 16 16 ARG HD3 H 1 2.898 0.020 . 2 . . . . A 16 ARG HD3 . 31226 1 149 . 1 . 1 16 16 ARG HE H 1 7.028 0.020 . 1 . . . . A 16 ARG HE . 31226 1 150 . 1 . 1 16 16 ARG CA C 13 56.435 0.400 . 1 . . . . A 16 ARG CA . 31226 1 151 . 1 . 1 16 16 ARG CB C 13 30.582 0.400 . 1 . . . . A 16 ARG CB . 31226 1 152 . 1 . 1 16 16 ARG CG C 13 27.293 0.400 . 1 . . . . A 16 ARG CG . 31226 1 153 . 1 . 1 16 16 ARG CD C 13 43.567 0.400 . 1 . . . . A 16 ARG CD . 31226 1 154 . 1 . 1 16 16 ARG N N 15 124.871 0.400 . 1 . . . . A 16 ARG N . 31226 1 155 . 1 . 1 16 16 ARG NE N 15 125.820 0.400 . 1 . . . . A 16 ARG NE . 31226 1 156 . 1 . 1 17 17 GLY H H 1 8.053 0.020 . 1 . . . . A 17 GLY H . 31226 1 157 . 1 . 1 17 17 GLY HA2 H 1 4.413 0.020 . 2 . . . . A 17 GLY HA2 . 31226 1 158 . 1 . 1 17 17 GLY HA3 H 1 3.776 0.020 . 2 . . . . A 17 GLY HA3 . 31226 1 159 . 1 . 1 17 17 GLY CA C 13 44.354 0.400 . 1 . . . . A 17 GLY CA . 31226 1 160 . 1 . 1 17 17 GLY N N 15 115.573 0.400 . 1 . . . . A 17 GLY N . 31226 1 161 . 1 . 1 18 18 LEU H H 1 8.552 0.020 . 1 . . . . A 18 LEU H . 31226 1 162 . 1 . 1 18 18 LEU HA H 1 3.966 0.020 . 1 . . . . A 18 LEU HA . 31226 1 163 . 1 . 1 18 18 LEU HB2 H 1 1.404 0.020 . 2 . . . . A 18 LEU HB2 . 31226 1 164 . 1 . 1 18 18 LEU HB3 H 1 1.179 0.020 . 2 . . . . A 18 LEU HB3 . 31226 1 165 . 1 . 1 18 18 LEU HG H 1 1.273 0.020 . 1 . . . . A 18 LEU HG . 31226 1 166 . 1 . 1 18 18 LEU HD11 H 1 0.785 0.020 . 2 . . . . A 18 LEU HD11 . 31226 1 167 . 1 . 1 18 18 LEU HD12 H 1 0.785 0.020 . 2 . . . . A 18 LEU HD12 . 31226 1 168 . 1 . 1 18 18 LEU HD13 H 1 0.785 0.020 . 2 . . . . A 18 LEU HD13 . 31226 1 169 . 1 . 1 18 18 LEU HD21 H 1 0.845 0.020 . 2 . . . . A 18 LEU HD21 . 31226 1 170 . 1 . 1 18 18 LEU HD22 H 1 0.845 0.020 . 2 . . . . A 18 LEU HD22 . 31226 1 171 . 1 . 1 18 18 LEU HD23 H 1 0.845 0.020 . 2 . . . . A 18 LEU HD23 . 31226 1 172 . 1 . 1 18 18 LEU CA C 13 57.627 0.400 . 1 . . . . A 18 LEU CA . 31226 1 173 . 1 . 1 18 18 LEU CB C 13 42.450 0.400 . 1 . . . . A 18 LEU CB . 31226 1 174 . 1 . 1 18 18 LEU CG C 13 26.679 0.400 . 1 . . . . A 18 LEU CG . 31226 1 175 . 1 . 1 18 18 LEU CD1 C 13 24.038 0.400 . 2 . . . . A 18 LEU CD1 . 31226 1 176 . 1 . 1 18 18 LEU CD2 C 13 24.158 0.400 . 2 . . . . A 18 LEU CD2 . 31226 1 177 . 1 . 1 18 18 LEU N N 15 121.812 0.400 . 1 . . . . A 18 LEU N . 31226 1 178 . 1 . 1 19 19 HIS H H 1 8.699 0.020 . 1 . . . . A 19 HIS H . 31226 1 179 . 1 . 1 19 19 HIS HA H 1 4.909 0.020 . 1 . . . . A 19 HIS HA . 31226 1 180 . 1 . 1 19 19 HIS HB2 H 1 3.442 0.020 . 2 . . . . A 19 HIS HB2 . 31226 1 181 . 1 . 1 19 19 HIS HB3 H 1 3.016 0.020 . 2 . . . . A 19 HIS HB3 . 31226 1 182 . 1 . 1 19 19 HIS HD2 H 1 7.294 0.020 . 1 . . . . A 19 HIS HD2 . 31226 1 183 . 1 . 1 19 19 HIS HE1 H 1 8.626 0.020 . 1 . . . . A 19 HIS HE1 . 31226 1 184 . 1 . 1 19 19 HIS CB C 13 28.789 0.400 . 1 . . . . A 19 HIS CB . 31226 1 185 . 1 . 1 19 19 HIS CD2 C 13 120.062 0.400 . 1 . . . . A 19 HIS CD2 . 31226 1 186 . 1 . 1 19 19 HIS CE1 C 13 136.372 0.400 . 1 . . . . A 19 HIS CE1 . 31226 1 187 . 1 . 1 19 19 HIS N N 15 113.853 0.400 . 1 . . . . A 19 HIS N . 31226 1 188 . 1 . 1 20 20 GLY H H 1 7.469 0.020 . 1 . . . . A 20 GLY H . 31226 1 189 . 1 . 1 20 20 GLY HA2 H 1 3.672 0.020 . 2 . . . . A 20 GLY HA2 . 31226 1 190 . 1 . 1 20 20 GLY HA3 H 1 4.417 0.020 . 2 . . . . A 20 GLY HA3 . 31226 1 191 . 1 . 1 20 20 GLY CA C 13 44.793 0.400 . 1 . . . . A 20 GLY CA . 31226 1 192 . 1 . 1 20 20 GLY N N 15 108.113 0.400 . 1 . . . . A 20 GLY N . 31226 1 193 . 1 . 1 21 21 TYR H H 1 8.726 0.020 . 1 . . . . A 21 TYR H . 31226 1 194 . 1 . 1 21 21 TYR HA H 1 4.975 0.020 . 1 . . . . A 21 TYR HA . 31226 1 195 . 1 . 1 21 21 TYR HB2 H 1 2.701 0.020 . 2 . . . . A 21 TYR HB2 . 31226 1 196 . 1 . 1 21 21 TYR HB3 H 1 2.963 0.020 . 2 . . . . A 21 TYR HB3 . 31226 1 197 . 1 . 1 21 21 TYR HD1 H 1 7.052 0.020 . 1 . . . . A 21 TYR HD1 . 31226 1 198 . 1 . 1 21 21 TYR HD2 H 1 7.052 0.020 . 1 . . . . A 21 TYR HD2 . 31226 1 199 . 1 . 1 21 21 TYR HE1 H 1 6.798 0.020 . 1 . . . . A 21 TYR HE1 . 31226 1 200 . 1 . 1 21 21 TYR HE2 H 1 6.798 0.020 . 1 . . . . A 21 TYR HE2 . 31226 1 201 . 1 . 1 21 21 TYR CA C 13 58.466 0.400 . 1 . . . . A 21 TYR CA . 31226 1 202 . 1 . 1 21 21 TYR CB C 13 39.749 0.400 . 1 . . . . A 21 TYR CB . 31226 1 203 . 1 . 1 21 21 TYR CD1 C 13 133.292 0.400 . 3 . . . . A 21 TYR CD1 . 31226 1 204 . 1 . 1 21 21 TYR CE1 C 13 117.831 0.400 . 3 . . . . A 21 TYR CE1 . 31226 1 205 . 1 . 1 21 21 TYR N N 15 121.191 0.400 . 1 . . . . A 21 TYR N . 31226 1 206 . 1 . 1 22 22 GLY H H 1 8.629 0.020 . 1 . . . . A 22 GLY H . 31226 1 207 . 1 . 1 22 22 GLY HA2 H 1 4.213 0.020 . 2 . . . . A 22 GLY HA2 . 31226 1 208 . 1 . 1 22 22 GLY HA3 H 1 3.908 0.020 . 2 . . . . A 22 GLY HA3 . 31226 1 209 . 1 . 1 22 22 GLY CA C 13 45.176 0.400 . 1 . . . . A 22 GLY CA . 31226 1 210 . 1 . 1 22 22 GLY N N 15 109.785 0.400 . 1 . . . . A 22 GLY N . 31226 1 211 . 1 . 1 23 23 CYS H H 1 8.731 0.020 . 1 . . . . A 23 CYS H . 31226 1 212 . 1 . 1 23 23 CYS HA H 1 5.317 0.020 . 1 . . . . A 23 CYS HA . 31226 1 213 . 1 . 1 23 23 CYS HB2 H 1 2.795 0.020 . 2 . . . . A 23 CYS HB2 . 31226 1 214 . 1 . 1 23 23 CYS HB3 H 1 2.884 0.020 . 2 . . . . A 23 CYS HB3 . 31226 1 215 . 1 . 1 23 23 CYS CA C 13 56.062 0.400 . 1 . . . . A 23 CYS CA . 31226 1 216 . 1 . 1 23 23 CYS CB C 13 41.257 0.400 . 1 . . . . A 23 CYS CB . 31226 1 217 . 1 . 1 23 23 CYS N N 15 120.811 0.400 . 1 . . . . A 23 CYS N . 31226 1 218 . 1 . 1 24 24 CYS H H 1 9.769 0.020 . 1 . . . . A 24 CYS H . 31226 1 219 . 1 . 1 24 24 CYS HA H 1 4.755 0.020 . 1 . . . . A 24 CYS HA . 31226 1 220 . 1 . 1 24 24 CYS HB2 H 1 3.122 0.020 . 2 . . . . A 24 CYS HB2 . 31226 1 221 . 1 . 1 24 24 CYS HB3 H 1 3.122 0.020 . 2 . . . . A 24 CYS HB3 . 31226 1 222 . 1 . 1 24 24 CYS CA C 13 59.231 0.400 . 1 . . . . A 24 CYS CA . 31226 1 223 . 1 . 1 24 24 CYS CB C 13 40.707 0.400 . 1 . . . . A 24 CYS CB . 31226 1 224 . 1 . 1 24 24 CYS N N 15 130.130 0.400 . 1 . . . . A 24 CYS N . 31226 1 stop_ save_