################################### # 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 30718 _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.01 _Assigned_chem_shift_list.Chem_shift_15N_err 0.01 _Assigned_chem_shift_list.Chem_shift_31P_err 0 _Assigned_chem_shift_list.Chem_shift_2H_err 0 _Assigned_chem_shift_list.Chem_shift_19F_err 0 _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' . . . 30718 1 2 '2D 1H-1H NOESY' . . . 30718 1 3 '2D 1H-1H TOCSY' . . . 30718 1 4 '2D 1H-1H NOESY' . . . 30718 1 5 '2D 1H-13C HSQC' . . . 30718 1 6 '2D 1H-15N HSQC' . . . 30718 1 7 '2D 1H-1H TOCSY' . . . 30718 1 8 '2D 1H-1H NOESY' . . . 30718 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 ALA HA H 1 4.208 0.000 . 1 . . . . A 1 ALA HA . 30718 1 2 . 1 . 1 1 1 ALA HB1 H 1 1.640 0.004 . 1 . . . . A 1 ALA HB1 . 30718 1 3 . 1 . 1 1 1 ALA HB2 H 1 1.640 0.004 . 1 . . . . A 1 ALA HB2 . 30718 1 4 . 1 . 1 1 1 ALA HB3 H 1 1.640 0.004 . 1 . . . . A 1 ALA HB3 . 30718 1 5 . 1 . 1 1 1 ALA CA C 13 51.870 0.000 . 1 . . . . A 1 ALA CA . 30718 1 6 . 1 . 1 1 1 ALA CB C 13 19.570 0.000 . 1 . . . . A 1 ALA CB . 30718 1 7 . 1 . 1 2 2 ALA H H 1 8.687 0.003 . 1 . . . . A 2 ALA H . 30718 1 8 . 1 . 1 2 2 ALA HA H 1 4.423 0.006 . 1 . . . . A 2 ALA HA . 30718 1 9 . 1 . 1 2 2 ALA HB1 H 1 1.426 0.005 . 1 . . . . A 2 ALA HB1 . 30718 1 10 . 1 . 1 2 2 ALA HB2 H 1 1.426 0.005 . 1 . . . . A 2 ALA HB2 . 30718 1 11 . 1 . 1 2 2 ALA HB3 H 1 1.426 0.005 . 1 . . . . A 2 ALA HB3 . 30718 1 12 . 1 . 1 2 2 ALA CA C 13 52.091 0.000 . 1 . . . . A 2 ALA CA . 30718 1 13 . 1 . 1 2 2 ALA CB C 13 19.579 0.000 . 1 . . . . A 2 ALA CB . 30718 1 14 . 1 . 1 2 2 ALA N N 15 123.244 0.000 . 1 . . . . A 2 ALA N . 30718 1 15 . 1 . 1 3 3 CYS H H 1 8.619 0.004 . 1 . . . . A 3 CYS H . 30718 1 16 . 1 . 1 3 3 CYS HA H 1 4.596 0.004 . 1 . . . . A 3 CYS HA . 30718 1 17 . 1 . 1 3 3 CYS HB2 H 1 2.928 0.010 . 2 . . . . A 3 CYS HB2 . 30718 1 18 . 1 . 1 3 3 CYS HB3 H 1 3.179 0.016 . 2 . . . . A 3 CYS HB3 . 30718 1 19 . 1 . 1 3 3 CYS CA C 13 55.799 0.000 . 1 . . . . A 3 CYS CA . 30718 1 20 . 1 . 1 3 3 CYS CB C 13 35.954 0.000 . 1 . . . . A 3 CYS CB . 30718 1 21 . 1 . 1 3 3 CYS N N 15 119.800 0.000 . 1 . . . . A 3 CYS N . 30718 1 22 . 1 . 1 4 4 HIS H H 1 9.234 0.003 . 1 . . . . A 4 HIS H . 30718 1 23 . 1 . 1 4 4 HIS HA H 1 4.805 0.123 . 1 . . . . A 4 HIS HA . 30718 1 24 . 1 . 1 4 4 HIS HB2 H 1 3.202 0.097 . 2 . . . . A 4 HIS HB2 . 30718 1 25 . 1 . 1 4 4 HIS HB3 H 1 3.445 0.084 . 2 . . . . A 4 HIS HB3 . 30718 1 26 . 1 . 1 4 4 HIS HD2 H 1 7.303 0.148 . 4 . . . . A 4 HIS HD2 . 30718 1 27 . 1 . 1 4 4 HIS HE1 H 1 6.873 0.000 . 4 . . . . A 4 HIS HE1 . 30718 1 28 . 1 . 1 4 4 HIS CB C 13 28.919 0.012 . 1 . . . . A 4 HIS CB . 30718 1 29 . 1 . 1 4 4 HIS N N 15 124.067 0.000 . 1 . . . . A 4 HIS N . 30718 1 30 . 1 . 1 5 5 ASN H H 1 8.171 0.002 . 1 . . . . A 5 ASN H . 30718 1 31 . 1 . 1 5 5 ASN HA H 1 4.833 0.003 . 1 . . . . A 5 ASN HA . 30718 1 32 . 1 . 1 5 5 ASN CB C 13 39.305 0.000 . 1 . . . . A 5 ASN CB . 30718 1 33 . 1 . 1 5 5 ASN N N 15 118.452 0.000 . 1 . . . . A 5 ASN N . 30718 1 34 . 1 . 1 6 6 HIS H H 1 8.408 0.003 . 1 . . . . A 6 HIS H . 30718 1 35 . 1 . 1 6 6 HIS HA H 1 4.627 0.002 . 1 . . . . A 6 HIS HA . 30718 1 36 . 1 . 1 6 6 HIS HB2 H 1 3.329 0.004 . 2 . . . . A 6 HIS HB2 . 30718 1 37 . 1 . 1 6 6 HIS HB3 H 1 3.329 0.004 . 2 . . . . A 6 HIS HB3 . 30718 1 38 . 1 . 1 6 6 HIS HD2 H 1 7.434 0.031 . 4 . . . . A 6 HIS HD2 . 30718 1 39 . 1 . 1 6 6 HIS HE1 H 1 7.338 0.000 . 4 . . . . A 6 HIS HE1 . 30718 1 40 . 1 . 1 6 6 HIS N N 15 117.408 0.000 . 1 . . . . A 6 HIS N . 30718 1 41 . 1 . 1 7 7 ALA H H 1 8.656 0.002 . 1 . . . . A 7 ALA H . 30718 1 42 . 1 . 1 7 7 ALA HA H 1 4.438 0.011 . 1 . . . . A 7 ALA HA . 30718 1 43 . 1 . 1 7 7 ALA HB1 H 1 1.444 0.004 . 1 . . . . A 7 ALA HB1 . 30718 1 44 . 1 . 1 7 7 ALA HB2 H 1 1.444 0.004 . 1 . . . . A 7 ALA HB2 . 30718 1 45 . 1 . 1 7 7 ALA HB3 H 1 1.444 0.004 . 1 . . . . A 7 ALA HB3 . 30718 1 46 . 1 . 1 7 7 ALA CA C 13 52.534 0.000 . 1 . . . . A 7 ALA CA . 30718 1 47 . 1 . 1 7 7 ALA CB C 13 17.946 0.000 . 1 . . . . A 7 ALA CB . 30718 1 48 . 1 . 1 7 7 ALA N N 15 126.677 0.000 . 1 . . . . A 7 ALA N . 30718 1 49 . 1 . 1 8 8 PRO HA H 1 4.723 0.001 . 1 . . . . A 8 PRO HA . 30718 1 50 . 1 . 1 8 8 PRO HB3 H 1 2.406 0.000 . 2 . . . . A 8 PRO HB3 . 30718 1 51 . 1 . 1 8 8 PRO HG2 H 1 1.833 0.005 . 2 . . . . A 8 PRO HG2 . 30718 1 52 . 1 . 1 8 8 PRO HG3 H 1 2.066 0.002 . 2 . . . . A 8 PRO HG3 . 30718 1 53 . 1 . 1 8 8 PRO HD2 H 1 3.636 0.002 . 2 . . . . A 8 PRO HD2 . 30718 1 54 . 1 . 1 8 8 PRO HD3 H 1 3.724 0.029 . 2 . . . . A 8 PRO HD3 . 30718 1 55 . 1 . 1 8 8 PRO CA C 13 64.060 0.000 . 1 . . . . A 8 PRO CA . 30718 1 56 . 1 . 1 8 8 PRO CG C 13 24.794 0.001 . 1 . . . . A 8 PRO CG . 30718 1 57 . 1 . 1 8 8 PRO CD C 13 50.544 0.032 . 1 . . . . A 8 PRO CD . 30718 1 58 . 1 . 1 9 9 DAL H H 1 8.377 0.002 . 1 . . . . A 9 DAL H . 30718 1 59 . 1 . 1 9 9 DAL N N 15 122.662 0.000 . 1 . . . . A 9 DAL N . 30718 1 60 . 1 . 1 9 9 DAL HA H 1 4.851 0.002 . 1 . . . . A 9 DAL HA . 30718 1 61 . 1 . 1 9 9 DAL HB1 H 1 3.105 0.062 . 2 . . . . A 9 DAL HB1 . 30718 1 62 . 1 . 1 9 9 DAL HB2 H 1 2.909 0.005 . 2 . . . . A 9 DAL HB2 . 30718 1 63 . 1 . 1 10 10 MET H H 1 8.622 0.003 . 1 . . . . A 10 MET H . 30718 1 64 . 1 . 1 10 10 MET HA H 1 4.853 0.031 . 1 . . . . A 10 MET HA . 30718 1 65 . 1 . 1 10 10 MET HB2 H 1 1.917 0.018 . 2 . . . . A 10 MET HB2 . 30718 1 66 . 1 . 1 10 10 MET HB3 H 1 1.917 0.018 . 2 . . . . A 10 MET HB3 . 30718 1 67 . 1 . 1 10 10 MET HG2 H 1 2.442 0.017 . 2 . . . . A 10 MET HG2 . 30718 1 68 . 1 . 1 10 10 MET HG3 H 1 2.531 0.024 . 2 . . . . A 10 MET HG3 . 30718 1 69 . 1 . 1 10 10 MET CA C 13 55.704 0.000 . 1 . . . . A 10 MET CA . 30718 1 70 . 1 . 1 10 10 MET CB C 13 32.605 0.000 . 1 . . . . A 10 MET CB . 30718 1 71 . 1 . 1 10 10 MET CG C 13 32.541 0.000 . 1 . . . . A 10 MET CG . 30718 1 72 . 1 . 1 10 10 MET N N 15 123.899 0.000 . 1 . . . . A 10 MET N . 30718 1 73 . 1 . 1 11 11 PRO HA H 1 4.778 0.008 . 1 . . . . A 11 PRO HA . 30718 1 74 . 1 . 1 11 11 PRO HB2 H 1 1.988 0.008 . 2 . . . . A 11 PRO HB2 . 30718 1 75 . 1 . 1 11 11 PRO HB3 H 1 2.433 0.004 . 2 . . . . A 11 PRO HB3 . 30718 1 76 . 1 . 1 11 11 PRO HG2 H 1 2.064 0.005 . 2 . . . . A 11 PRO HG2 . 30718 1 77 . 1 . 1 11 11 PRO HG3 H 1 2.064 0.005 . 2 . . . . A 11 PRO HG3 . 30718 1 78 . 1 . 1 11 11 PRO HD2 H 1 3.503 0.005 . 2 . . . . A 11 PRO HD2 . 30718 1 79 . 1 . 1 11 11 PRO HD3 H 1 3.847 0.003 . 2 . . . . A 11 PRO HD3 . 30718 1 80 . 1 . 1 11 11 PRO CA C 13 61.904 0.000 . 1 . . . . A 11 PRO CA . 30718 1 81 . 1 . 1 11 11 PRO CB C 13 31.069 0.001 . 1 . . . . A 11 PRO CB . 30718 1 82 . 1 . 1 11 11 PRO CD C 13 50.826 0.006 . 1 . . . . A 11 PRO CD . 30718 1 83 . 1 . 1 12 12 PRO HA H 1 4.541 0.003 . 1 . . . . A 12 PRO HA . 30718 1 84 . 1 . 1 12 12 PRO HB2 H 1 2.044 0.006 . 2 . . . . A 12 PRO HB2 . 30718 1 85 . 1 . 1 12 12 PRO HB3 H 1 2.434 0.007 . 2 . . . . A 12 PRO HB3 . 30718 1 86 . 1 . 1 12 12 PRO HG2 H 1 2.156 0.005 . 2 . . . . A 12 PRO HG2 . 30718 1 87 . 1 . 1 12 12 PRO HG3 H 1 2.211 0.004 . 2 . . . . A 12 PRO HG3 . 30718 1 88 . 1 . 1 12 12 PRO HD2 H 1 3.744 0.004 . 2 . . . . A 12 PRO HD2 . 30718 1 89 . 1 . 1 12 12 PRO HD3 H 1 3.918 0.003 . 2 . . . . A 12 PRO HD3 . 30718 1 90 . 1 . 1 12 12 PRO CA C 13 63.900 0.000 . 1 . . . . A 12 PRO CA . 30718 1 91 . 1 . 1 12 12 PRO CB C 13 32.244 0.016 . 1 . . . . A 12 PRO CB . 30718 1 92 . 1 . 1 12 12 PRO CG C 13 27.931 0.004 . 1 . . . . A 12 PRO CG . 30718 1 93 . 1 . 1 12 12 PRO CD C 13 50.782 0.017 . 1 . . . . A 12 PRO CD . 30718 1 94 . 1 . 1 13 13 DAL H H 1 8.512 0.003 . 1 . . . . A 13 DAL H . 30718 1 95 . 1 . 1 13 13 DAL N N 15 118.659 0.000 . 1 . . . . A 13 DAL N . 30718 1 96 . 1 . 1 13 13 DAL HA H 1 4.594 0.008 . 1 . . . . A 13 DAL HA . 30718 1 97 . 1 . 1 13 13 DAL HB1 H 1 3.072 0.005 . 2 . . . . A 13 DAL HB1 . 30718 1 98 . 1 . 1 13 13 DAL HB2 H 1 2.989 0.003 . 2 . . . . A 13 DAL HB2 . 30718 1 99 . 1 . 1 14 14 TYR H H 1 8.128 0.004 . 1 . . . . A 14 TYR H . 30718 1 100 . 1 . 1 14 14 TYR HA H 1 4.350 0.011 . 1 . . . . A 14 TYR HA . 30718 1 101 . 1 . 1 14 14 TYR HB2 H 1 2.915 0.012 . 2 . . . . A 14 TYR HB2 . 30718 1 102 . 1 . 1 14 14 TYR HB3 H 1 3.065 0.003 . 2 . . . . A 14 TYR HB3 . 30718 1 103 . 1 . 1 14 14 TYR HD1 H 1 6.803 0.005 . 3 . . . . A 14 TYR HD1 . 30718 1 104 . 1 . 1 14 14 TYR HD2 H 1 6.803 0.005 . 3 . . . . A 14 TYR HD2 . 30718 1 105 . 1 . 1 14 14 TYR HE1 H 1 6.723 0.009 . 3 . . . . A 14 TYR HE1 . 30718 1 106 . 1 . 1 14 14 TYR HE2 H 1 6.723 0.009 . 3 . . . . A 14 TYR HE2 . 30718 1 107 . 1 . 1 14 14 TYR CD1 C 13 133.421 0.000 . 1 . . . . A 14 TYR CD1 . 30718 1 108 . 1 . 1 14 14 TYR CD2 C 13 133.421 0.000 . 1 . . . . A 14 TYR CD2 . 30718 1 109 . 1 . 1 14 14 TYR CE1 C 13 118.405 0.000 . 1 . . . . A 14 TYR CE1 . 30718 1 110 . 1 . 1 14 14 TYR CE2 C 13 118.405 0.000 . 1 . . . . A 14 TYR CE2 . 30718 1 111 . 1 . 1 14 14 TYR N N 15 120.800 0.000 . 1 . . . . A 14 TYR N . 30718 1 112 . 1 . 1 15 15 TRP H H 1 7.938 0.003 . 1 . . . . A 15 TRP H . 30718 1 113 . 1 . 1 15 15 TRP HA H 1 4.717 0.003 . 1 . . . . A 15 TRP HA . 30718 1 114 . 1 . 1 15 15 TRP HB2 H 1 3.329 0.006 . 2 . . . . A 15 TRP HB2 . 30718 1 115 . 1 . 1 15 15 TRP HB3 H 1 3.329 0.006 . 2 . . . . A 15 TRP HB3 . 30718 1 116 . 1 . 1 15 15 TRP HD1 H 1 7.375 0.006 . 1 . . . . A 15 TRP HD1 . 30718 1 117 . 1 . 1 15 15 TRP HE1 H 1 10.265 0.007 . 1 . . . . A 15 TRP HE1 . 30718 1 118 . 1 . 1 15 15 TRP HE3 H 1 7.730 0.006 . 1 . . . . A 15 TRP HE3 . 30718 1 119 . 1 . 1 15 15 TRP HZ2 H 1 7.593 0.005 . 1 . . . . A 15 TRP HZ2 . 30718 1 120 . 1 . 1 15 15 TRP HZ3 H 1 7.267 0.003 . 1 . . . . A 15 TRP HZ3 . 30718 1 121 . 1 . 1 15 15 TRP HH2 H 1 7.366 0.025 . 1 . . . . A 15 TRP HH2 . 30718 1 122 . 1 . 1 15 15 TRP CA C 13 57.430 0.000 . 1 . . . . A 15 TRP CA . 30718 1 123 . 1 . 1 15 15 TRP CB C 13 29.141 0.000 . 1 . . . . A 15 TRP CB . 30718 1 124 . 1 . 1 15 15 TRP CD1 C 13 127.456 0.000 . 1 . . . . A 15 TRP CD1 . 30718 1 125 . 1 . 1 15 15 TRP CE3 C 13 121.417 0.000 . 1 . . . . A 15 TRP CE3 . 30718 1 126 . 1 . 1 15 15 TRP CZ2 C 13 115.030 0.000 . 1 . . . . A 15 TRP CZ2 . 30718 1 127 . 1 . 1 15 15 TRP CZ3 C 13 122.517 0.000 . 1 . . . . A 15 TRP CZ3 . 30718 1 128 . 1 . 1 15 15 TRP CH2 C 13 125.129 0.000 . 1 . . . . A 15 TRP CH2 . 30718 1 129 . 1 . 1 15 15 TRP N N 15 118.945 0.000 . 1 . . . . A 15 TRP N . 30718 1 130 . 1 . 1 15 15 TRP NE1 N 15 129.363 0.000 . 1 . . . . A 15 TRP NE1 . 30718 1 131 . 1 . 1 16 16 GLU H H 1 8.147 0.005 . 1 . . . . A 16 GLU H . 30718 1 132 . 1 . 1 16 16 GLU HA H 1 4.196 0.003 . 1 . . . . A 16 GLU HA . 30718 1 133 . 1 . 1 16 16 GLU HB2 H 1 1.967 0.007 . 2 . . . . A 16 GLU HB2 . 30718 1 134 . 1 . 1 16 16 GLU HB3 H 1 2.067 0.004 . 2 . . . . A 16 GLU HB3 . 30718 1 135 . 1 . 1 16 16 GLU HG2 H 1 2.199 0.014 . 2 . . . . A 16 GLU HG2 . 30718 1 136 . 1 . 1 16 16 GLU HG3 H 1 2.256 0.005 . 2 . . . . A 16 GLU HG3 . 30718 1 137 . 1 . 1 16 16 GLU CA C 13 57.126 0.000 . 1 . . . . A 16 GLU CA . 30718 1 138 . 1 . 1 16 16 GLU CB C 13 32.683 0.000 . 1 . . . . A 16 GLU CB . 30718 1 139 . 1 . 1 16 16 GLU CG C 13 32.689 0.007 . 1 . . . . A 16 GLU CG . 30718 1 140 . 1 . 1 16 16 GLU N N 15 120.687 0.000 . 1 . . . . A 16 GLU N . 30718 1 141 . 1 . 1 17 17 GLY H H 1 8.332 0.005 . 1 . . . . A 17 GLY H . 30718 1 142 . 1 . 1 17 17 GLY HA2 H 1 3.923 0.009 . 2 . . . . A 17 GLY HA2 . 30718 1 143 . 1 . 1 17 17 GLY HA3 H 1 4.134 0.006 . 2 . . . . A 17 GLY HA3 . 30718 1 144 . 1 . 1 17 17 GLY CA C 13 45.710 0.009 . 1 . . . . A 17 GLY CA . 30718 1 145 . 1 . 1 17 17 GLY N N 15 109.565 0.000 . 1 . . . . A 17 GLY N . 30718 1 146 . 1 . 1 18 18 GLU H H 1 8.154 0.003 . 1 . . . . A 18 GLU H . 30718 1 147 . 1 . 1 18 18 GLU HA H 1 4.606 0.007 . 1 . . . . A 18 GLU HA . 30718 1 148 . 1 . 1 18 18 GLU HB2 H 1 2.146 0.005 . 2 . . . . A 18 GLU HB2 . 30718 1 149 . 1 . 1 18 18 GLU HB3 H 1 2.348 0.004 . 2 . . . . A 18 GLU HB3 . 30718 1 150 . 1 . 1 18 18 GLU HG2 H 1 2.590 0.006 . 2 . . . . A 18 GLU HG2 . 30718 1 151 . 1 . 1 18 18 GLU HG3 H 1 2.590 0.006 . 2 . . . . A 18 GLU HG3 . 30718 1 152 . 1 . 1 18 18 GLU CB C 13 29.226 0.006 . 1 . . . . A 18 GLU CB . 30718 1 153 . 1 . 1 18 18 GLU CG C 13 33.087 0.000 . 1 . . . . A 18 GLU CG . 30718 1 154 . 1 . 1 18 18 GLU N N 15 118.855 0.000 . 1 . . . . A 18 GLU N . 30718 1 155 . 1 . 1 19 19 CYS H H 1 8.412 0.002 . 1 . . . . A 19 CYS H . 30718 1 156 . 1 . 1 19 19 CYS HA H 1 4.798 0.002 . 1 . . . . A 19 CYS HA . 30718 1 157 . 1 . 1 19 19 CYS HB2 H 1 3.002 0.013 . 2 . . . . A 19 CYS HB2 . 30718 1 158 . 1 . 1 19 19 CYS HB3 H 1 3.191 0.004 . 2 . . . . A 19 CYS HB3 . 30718 1 159 . 1 . 1 19 19 CYS CB C 13 37.357 0.025 . 1 . . . . A 19 CYS CB . 30718 1 stop_ save_