################################### # 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 30412 _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 . _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' . . . 30412 1 2 '2D 1H-1H NOESY' . . . 30412 1 3 '2D 1H-15N HSQC' . . . 30412 1 4 '2D 1H-13C HSQC' . . . 30412 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 GLY H H 1 8.691 0.009 . 1 . . . . A 1 GLY H1 . 30412 1 2 . 1 1 1 1 GLY HA2 H 1 3.793 0.016 . 1 . . . . A 1 GLY HA2 . 30412 1 3 . 1 1 1 1 GLY HA3 H 1 3.928 0.017 . 1 . . . . A 1 GLY HA3 . 30412 1 4 . 1 1 1 1 GLY CA C 13 48.895 0.000 . 1 . . . . A 1 GLY CA . 30412 1 5 . 1 1 1 1 GLY N N 15 108.674 0.000 . 1 . . . . A 1 GLY N . 30412 1 6 . 1 1 2 2 CYS H H 1 8.834 0.006 . 1 . . . . A 2 CYS H . 30412 1 7 . 1 1 2 2 CYS HA H 1 4.591 0.003 . 1 . . . . A 2 CYS HA . 30412 1 8 . 1 1 2 2 CYS HB2 H 1 3.219 0.014 . 1 . . . . A 2 CYS HB3 . 30412 1 9 . 1 1 2 2 CYS HB3 H 1 2.728 0.018 . 1 . . . . A 2 CYS HB3 . 30412 1 10 . 1 1 2 2 CYS CA C 13 60.456 0.000 . 1 . . . . A 2 CYS CA . 30412 1 11 . 1 1 2 2 CYS CB C 13 44.324 0.021 . 1 . . . . A 2 CYS CB . 30412 1 12 . 1 1 2 2 CYS N N 15 122.061 0.000 . 1 . . . . A 2 CYS N . 30412 1 13 . 1 1 3 3 CYS H H 1 8.248 0.012 . 1 . . . . A 3 CYS H . 30412 1 14 . 1 1 3 3 CYS HA H 1 4.334 0.011 . 1 . . . . A 3 CYS HA . 30412 1 15 . 1 1 3 3 CYS HB2 H 1 2.815 0.000 . 1 . . . . A 3 CYS HB3 . 30412 1 16 . 1 1 3 3 CYS HB3 H 1 3.269 0.000 . 1 . . . . A 3 CYS HB3 . 30412 1 17 . 1 1 3 3 CYS CA C 13 58.824 0.000 . 1 . . . . A 3 CYS CA . 30412 1 18 . 1 1 3 3 CYS CB C 13 43.750 0.041 . 1 . . . . A 3 CYS CB . 30412 1 19 . 1 1 3 3 CYS N N 15 113.233 0.000 . 1 . . . . A 3 CYS N . 30412 1 20 . 1 1 4 4 SER H H 1 7.853 0.010 . 1 . . . . A 4 SER H . 30412 1 21 . 1 1 4 4 SER HA H 1 4.432 0.017 . 1 . . . . A 4 SER HA . 30412 1 22 . 1 1 4 4 SER HB2 H 1 3.968 0.014 . 2 . . . . A 4 SER HB3 . 30412 1 23 . 1 1 4 4 SER HB3 H 1 3.968 0.014 . 2 . . . . A 4 SER HB3 . 30412 1 24 . 1 1 4 4 SER CA C 13 63.026 0.000 . 1 . . . . A 4 SER CA . 30412 1 25 . 1 1 4 4 SER CB C 13 66.356 0.000 . 1 . . . . A 4 SER CB . 30412 1 26 . 1 1 4 4 SER N N 15 114.775 0.000 . 1 . . . . A 4 SER N . 30412 1 27 . 1 1 5 5 ASP H H 1 7.920 0.012 . 1 . . . . A 5 ASP H . 30412 1 28 . 1 1 5 5 ASP HA H 1 5.203 0.002 . 1 . . . . A 5 ASP HA . 30412 1 29 . 1 1 5 5 ASP HB2 H 1 3.181 0.002 . 1 . . . . A 5 ASP HB3 . 30412 1 30 . 1 1 5 5 ASP HB3 H 1 2.701 0.002 . 1 . . . . A 5 ASP HB3 . 30412 1 31 . 1 1 5 5 ASP CA C 13 52.438 0.000 . 1 . . . . A 5 ASP CA . 30412 1 32 . 1 1 5 5 ASP CB C 13 43.812 0.000 . 1 . . . . A 5 ASP CB . 30412 1 33 . 1 1 5 5 ASP N N 15 124.075 0.000 . 1 . . . . A 5 ASP N . 30412 1 34 . 1 1 6 6 PRO HA H 1 4.263 0.008 . 1 . . . . A 6 PRO HA . 30412 1 35 . 1 1 6 6 PRO HB2 H 1 2.371 0.017 . 1 . . . . A 6 PRO HB3 . 30412 1 36 . 1 1 6 6 PRO HB3 H 1 1.988 0.013 . 1 . . . . A 6 PRO HB3 . 30412 1 37 . 1 1 6 6 PRO HG2 H 1 2.058 0.014 . 1 . . . . A 6 PRO HG3 . 30412 1 38 . 1 1 6 6 PRO HG3 H 1 2.110 0.001 . 1 . . . . A 6 PRO HG3 . 30412 1 39 . 1 1 6 6 PRO HD2 H 1 3.922 0.014 . 1 . . . . A 6 PRO HD3 . 30412 1 40 . 1 1 6 6 PRO HD3 H 1 4.076 0.005 . 1 . . . . A 6 PRO HD3 . 30412 1 41 . 1 1 6 6 PRO CA C 13 68.479 0.000 . 1 . . . . A 6 PRO CA . 30412 1 42 . 1 1 6 6 PRO CB C 13 34.988 0.000 . 1 . . . . A 6 PRO CB . 30412 1 43 . 1 1 6 6 PRO CG C 13 30.152 0.015 . 1 . . . . A 6 PRO CG . 30412 1 44 . 1 1 7 7 ARG H H 1 7.984 0.002 . 1 . . . . A 7 ARG H . 30412 1 45 . 1 1 7 7 ARG HA H 1 4.147 0.013 . 1 . . . . A 7 ARG HA . 30412 1 46 . 1 1 7 7 ARG HB2 H 1 1.893 0.005 . 2 . . . . A 7 ARG HB3 . 30412 1 47 . 1 1 7 7 ARG HB3 H 1 1.893 0.005 . 2 . . . . A 7 ARG HB3 . 30412 1 48 . 1 1 7 7 ARG HG2 H 1 1.734 0.010 . 1 . . . . A 7 ARG HG3 . 30412 1 49 . 1 1 7 7 ARG HG3 H 1 1.645 0.011 . 1 . . . . A 7 ARG HG3 . 30412 1 50 . 1 1 7 7 ARG HD2 H 1 3.203 0.003 . 2 . . . . A 7 ARG HD3 . 30412 1 51 . 1 1 7 7 ARG HD3 H 1 3.203 0.003 . 2 . . . . A 7 ARG HD3 . 30412 1 52 . 1 1 7 7 ARG HE H 1 7.397 0.002 . 1 . . . . A 7 ARG HE . 30412 1 53 . 1 1 7 7 ARG CA C 13 61.231 0.000 . 1 . . . . A 7 ARG CA . 30412 1 54 . 1 1 7 7 ARG CB C 13 32.315 0.000 . 1 . . . . A 7 ARG CB . 30412 1 55 . 1 1 7 7 ARG CG C 13 29.918 0.009 . 1 . . . . A 7 ARG CG . 30412 1 56 . 1 1 7 7 ARG N N 15 115.845 0.000 . 1 . . . . A 7 ARG N . 30412 1 57 . 1 1 8 8 CYS H H 1 8.094 0.002 . 1 . . . . A 8 CYS H . 30412 1 58 . 1 1 8 8 CYS HA H 1 4.409 0.004 . 1 . . . . A 8 CYS HA . 30412 1 59 . 1 1 8 8 CYS HB2 H 1 3.259 0.003 . 1 . . . . A 8 CYS HB3 . 30412 1 60 . 1 1 8 8 CYS HB3 H 1 4.235 0.007 . 1 . . . . A 8 CYS HB3 . 30412 1 61 . 1 1 8 8 CYS CA C 13 61.999 0.000 . 1 . . . . A 8 CYS CA . 30412 1 62 . 1 1 8 8 CYS CB C 13 43.762 0.000 . 1 . . . . A 8 CYS CB . 30412 1 63 . 1 1 8 8 CYS N N 15 121.386 0.000 . 1 . . . . A 8 CYS N . 30412 1 64 . 1 1 9 9 ASN H H 1 9.021 0.002 . 1 . . . . A 9 ASN H . 30412 1 65 . 1 1 9 9 ASN HA H 1 4.349 0.023 . 1 . . . . A 9 ASN HA . 30412 1 66 . 1 1 9 9 ASN HB2 H 1 2.858 0.008 . 2 . . . . A 9 ASN HB3 . 30412 1 67 . 1 1 9 9 ASN HB3 H 1 2.858 0.008 . 2 . . . . A 9 ASN HB3 . 30412 1 68 . 1 1 9 9 ASN HD21 H 1 7.997 0.000 . 1 . . . . A 9 ASN HD21 . 30412 1 69 . 1 1 9 9 ASN HD22 H 1 6.956 0.010 . 1 . . . . A 9 ASN HD22 . 30412 1 70 . 1 1 9 9 ASN CA C 13 59.119 0.000 . 1 . . . . A 9 ASN CA . 30412 1 71 . 1 1 9 9 ASN CB C 13 41.634 0.000 . 1 . . . . A 9 ASN CB . 30412 1 72 . 1 1 9 9 ASN N N 15 121.717 0.000 . 1 . . . . A 9 ASN N . 30412 1 73 . 1 1 9 9 ASN ND2 N 15 114.114 0.000 . 1 . . . . A 9 ASN ND2 . 30412 1 74 . 1 1 10 10 TYR H H 1 7.902 0.001 . 1 . . . . A 10 TYR H . 30412 1 75 . 1 1 10 10 TYR HA H 1 4.155 0.001 . 1 . . . . A 10 TYR HA . 30412 1 76 . 1 1 10 10 TYR HB2 H 1 3.190 0.007 . 1 . . . . A 10 TYR HB3 . 30412 1 77 . 1 1 10 10 TYR HB3 H 1 3.010 0.015 . 1 . . . . A 10 TYR HB3 . 30412 1 78 . 1 1 10 10 TYR HD1 H 1 7.100 0.001 . 3 . . . . A 10 TYR HD1 . 30412 1 79 . 1 1 10 10 TYR HD2 H 1 7.100 0.001 . 3 . . . . A 10 TYR HD2 . 30412 1 80 . 1 1 10 10 TYR HE1 H 1 6.796 0.001 . 3 . . . . A 10 TYR HE1 . 30412 1 81 . 1 1 10 10 TYR HE2 H 1 6.796 0.001 . 3 . . . . A 10 TYR HE2 . 30412 1 82 . 1 1 10 10 TYR CA C 13 62.635 0.000 . 1 . . . . A 10 TYR CA . 30412 1 83 . 1 1 10 10 TYR CB C 13 40.929 0.000 . 1 . . . . A 10 TYR CB . 30412 1 84 . 1 1 10 10 TYR N N 15 117.485 0.000 . 1 . . . . A 10 TYR N . 30412 1 85 . 1 1 11 11 ALA H H 1 7.398 0.010 . 1 . . . . A 11 ALA H . 30412 1 86 . 1 1 11 11 ALA HA H 1 4.103 0.017 . 1 . . . . A 11 ALA HA . 30412 1 87 . 1 1 11 11 ALA HB1 H 1 1.312 0.018 . 1 . . . . A 11 ALA HB1 . 30412 1 88 . 1 1 11 11 ALA HB2 H 1 1.312 0.018 . 1 . . . . A 11 ALA HB2 . 30412 1 89 . 1 1 11 11 ALA HB3 H 1 1.312 0.018 . 1 . . . . A 11 ALA HB3 . 30412 1 90 . 1 1 11 11 ALA CA C 13 55.023 0.000 . 1 . . . . A 11 ALA CA . 30412 1 91 . 1 1 11 11 ALA CB C 13 21.795 0.000 . 1 . . . . A 11 ALA CB . 30412 1 92 . 1 1 11 11 ALA N N 15 117.934 0.000 . 1 . . . . A 11 ALA N . 30412 1 93 . 1 1 12 12 HIS H H 1 7.840 0.009 . 1 . . . . A 12 HIS H . 30412 1 94 . 1 1 12 12 HIS HA H 1 5.060 0.013 . 1 . . . . A 12 HIS HA . 30412 1 95 . 1 1 12 12 HIS HB2 H 1 3.051 0.019 . 1 . . . . A 12 HIS HB3 . 30412 1 96 . 1 1 12 12 HIS HB3 H 1 3.248 0.003 . 1 . . . . A 12 HIS HB3 . 30412 1 97 . 1 1 12 12 HIS HD2 H 1 7.463 0.004 . 1 . . . . A 12 HIS HD2 . 30412 1 98 . 1 1 12 12 HIS CA C 13 56.575 0.000 . 1 . . . . A 12 HIS CA . 30412 1 99 . 1 1 12 12 HIS CB C 13 31.278 0.000 . 1 . . . . A 12 HIS CB . 30412 1 100 . 1 1 12 12 HIS N N 15 115.860 0.000 . 1 . . . . A 12 HIS N . 30412 1 101 . 1 1 13 13 PRO HA H 1 4.475 0.012 . 1 . . . . A 13 PRO HA . 30412 1 102 . 1 1 13 13 PRO HB2 H 1 2.274 0.019 . 1 . . . . A 13 PRO HB3 . 30412 1 103 . 1 1 13 13 PRO HB3 H 1 1.957 0.015 . 1 . . . . A 13 PRO HB3 . 30412 1 104 . 1 1 13 13 PRO HG2 H 1 1.949 0.017 . 2 . . . . A 13 PRO HG3 . 30412 1 105 . 1 1 13 13 PRO HG3 H 1 1.949 0.017 . 2 . . . . A 13 PRO HG3 . 30412 1 106 . 1 1 13 13 PRO HD2 H 1 3.384 0.003 . 1 . . . . A 13 PRO HD3 . 30412 1 107 . 1 1 13 13 PRO HD3 H 1 3.473 0.019 . 1 . . . . A 13 PRO HD3 . 30412 1 108 . 1 1 13 13 PRO CA C 13 67.477 0.000 . 1 . . . . A 13 PRO CA . 30412 1 109 . 1 1 13 13 PRO CB C 13 34.036 0.000 . 1 . . . . A 13 PRO CB . 30412 1 110 . 1 1 13 13 PRO CG C 13 30.001 0.000 . 1 . . . . A 13 PRO CG . 30412 1 111 . 1 1 14 14 ALA H H 1 8.413 0.009 . 1 . . . . A 14 ALA H . 30412 1 112 . 1 1 14 14 ALA HA H 1 4.242 0.021 . 1 . . . . A 14 ALA HA . 30412 1 113 . 1 1 14 14 ALA HB1 H 1 1.440 0.018 . 1 . . . . A 14 ALA HB1 . 30412 1 114 . 1 1 14 14 ALA HB2 H 1 1.440 0.018 . 1 . . . . A 14 ALA HB2 . 30412 1 115 . 1 1 14 14 ALA HB3 H 1 1.440 0.018 . 1 . . . . A 14 ALA HB3 . 30412 1 116 . 1 1 14 14 ALA CB C 13 21.229 0.000 . 1 . . . . A 14 ALA CB . 30412 1 117 . 1 1 14 14 ALA N N 15 120.577 0.000 . 1 . . . . A 14 ALA N . 30412 1 118 . 1 1 15 15 ILE H H 1 7.469 0.012 . 1 . . . . A 15 ILE H . 30412 1 119 . 1 1 15 15 ILE HA H 1 4.241 0.013 . 1 . . . . A 15 ILE HA . 30412 1 120 . 1 1 15 15 ILE HB H 1 1.989 0.017 . 1 . . . . A 15 ILE HB . 30412 1 121 . 1 1 15 15 ILE HG12 H 1 1.201 0.018 . 1 . . . . A 15 ILE HG13 . 30412 1 122 . 1 1 15 15 ILE HG13 H 1 1.624 0.016 . 1 . . . . A 15 ILE HG13 . 30412 1 123 . 1 1 15 15 ILE HG21 H 1 0.874 0.008 . 1 . . . . A 15 ILE HG21 . 30412 1 124 . 1 1 15 15 ILE HG22 H 1 0.874 0.008 . 1 . . . . A 15 ILE HG22 . 30412 1 125 . 1 1 15 15 ILE HG23 H 1 0.874 0.008 . 1 . . . . A 15 ILE HG23 . 30412 1 126 . 1 1 15 15 ILE HD11 H 1 0.800 0.018 . 1 . . . . A 15 ILE HD11 . 30412 1 127 . 1 1 15 15 ILE HD12 H 1 0.800 0.018 . 1 . . . . A 15 ILE HD12 . 30412 1 128 . 1 1 15 15 ILE HD13 H 1 0.800 0.018 . 1 . . . . A 15 ILE HD13 . 30412 1 129 . 1 1 15 15 ILE CA C 13 56.821 0.000 . 1 . . . . A 15 ILE CA . 30412 1 130 . 1 1 15 15 ILE CB C 13 41.451 0.000 . 1 . . . . A 15 ILE CB . 30412 1 131 . 1 1 15 15 ILE CG1 C 13 30.255 0.032 . 1 . . . . A 15 ILE CG1 . 30412 1 132 . 1 1 15 15 ILE CG2 C 13 15.495 0.000 . 1 . . . . A 15 ILE CG2 . 30412 1 133 . 1 1 15 15 ILE CD1 C 13 15.558 0.000 . 1 . . . . A 15 ILE CD1 . 30412 1 134 . 1 1 15 15 ILE N N 15 114.104 0.000 . 1 . . . . A 15 ILE N . 30412 1 135 . 1 1 16 16 CYS H H 1 8.021 0.011 . 1 . . . . A 16 CYS H . 30412 1 136 . 1 1 16 16 CYS HA H 1 4.988 0.005 . 1 . . . . A 16 CYS HA . 30412 1 137 . 1 1 16 16 CYS HB2 H 1 3.299 0.015 . 1 . . . . A 16 CYS HB3 . 30412 1 138 . 1 1 16 16 CYS HB3 H 1 2.738 0.015 . 1 . . . . A 16 CYS HB3 . 30412 1 139 . 1 1 16 16 CYS CA C 13 56.894 0.000 . 1 . . . . A 16 CYS CA . 30412 1 140 . 1 1 16 16 CYS CB C 13 40.918 0.017 . 1 . . . . A 16 CYS CB . 30412 1 141 . 1 1 16 16 CYS N N 15 118.406 0.000 . 1 . . . . A 16 CYS N . 30412 1 142 . 1 1 17 17 GLY H H 1 8.357 0.009 . 1 . . . . A 17 GLY H . 30412 1 143 . 1 1 17 17 GLY HA2 H 1 3.864 0.018 . 1 . . . . A 17 GLY HA2 . 30412 1 144 . 1 1 17 17 GLY HA3 H 1 4.067 0.020 . 1 . . . . A 17 GLY HA3 . 30412 1 145 . 1 1 17 17 GLY CA C 13 48.688 0.000 . 1 . . . . A 17 GLY CA . 30412 1 146 . 1 1 17 17 GLY N N 15 110.624 0.000 . 1 . . . . A 17 GLY N . 30412 1 147 . 1 1 18 18 GLY H H 1 8.446 0.012 . 1 . . . . A 18 GLY H . 30412 1 148 . 1 1 18 18 GLY HA2 H 1 4.007 0.005 . 1 . . . . A 18 GLY HA2 . 30412 1 149 . 1 1 18 18 GLY HA3 H 1 3.846 0.001 . 1 . . . . A 18 GLY HA3 . 30412 1 150 . 1 1 18 18 GLY N N 15 110.034 0.000 . 1 . . . . A 18 GLY N . 30412 1 151 . 1 1 19 19 ALA H H 1 8.213 0.015 . 1 . . . . A 19 ALA H . 30412 1 152 . 1 1 19 19 ALA HA H 1 4.368 0.013 . 1 . . . . A 19 ALA HA . 30412 1 153 . 1 1 19 19 ALA HB1 H 1 1.396 0.022 . 1 . . . . A 19 ALA HB1 . 30412 1 154 . 1 1 19 19 ALA HB2 H 1 1.396 0.022 . 1 . . . . A 19 ALA HB2 . 30412 1 155 . 1 1 19 19 ALA HB3 H 1 1.396 0.022 . 1 . . . . A 19 ALA HB3 . 30412 1 156 . 1 1 19 19 ALA CA C 13 54.764 0.000 . 1 . . . . A 19 ALA CA . 30412 1 157 . 1 1 19 19 ALA CB C 13 21.931 0.000 . 1 . . . . A 19 ALA CB . 30412 1 158 . 1 1 19 19 ALA N N 15 124.137 0.000 . 1 . . . . A 19 ALA N . 30412 1 159 . 1 1 20 20 ALA H H 1 8.185 0.012 . 1 . . . . A 20 ALA H . 30412 1 160 . 1 1 20 20 ALA HA H 1 4.289 0.015 . 1 . . . . A 20 ALA HA . 30412 1 161 . 1 1 20 20 ALA HB1 H 1 1.388 0.015 . 1 . . . . A 20 ALA HB1 . 30412 1 162 . 1 1 20 20 ALA HB2 H 1 1.388 0.015 . 1 . . . . A 20 ALA HB2 . 30412 1 163 . 1 1 20 20 ALA HB3 H 1 1.388 0.015 . 1 . . . . A 20 ALA HB3 . 30412 1 164 . 1 1 20 20 ALA CA C 13 55.101 0.000 . 1 . . . . A 20 ALA CA . 30412 1 165 . 1 1 20 20 ALA CB C 13 21.917 0.000 . 1 . . . . A 20 ALA CB . 30412 1 166 . 1 1 20 20 ALA N N 15 122.795 0.000 . 1 . . . . A 20 ALA N . 30412 1 167 . 1 1 21 21 GLY H H 1 8.140 0.015 . 1 . . . . A 21 GLY H . 30412 1 168 . 1 1 21 21 GLY HA2 H 1 4.012 0.022 . 1 . . . . A 21 GLY HA2 . 30412 1 169 . 1 1 21 21 GLY HA3 H 1 3.855 0.000 . 1 . . . . A 21 GLY HA3 . 30412 1 170 . 1 1 21 21 GLY CA C 13 47.552 0.000 . 1 . . . . A 21 GLY CA . 30412 1 171 . 1 1 21 21 GLY N N 15 107.752 0.000 . 1 . . . . A 21 GLY N . 30412 1 172 . 1 1 22 22 GLY H H 1 8.312 0.001 . 1 . . . . A 22 GLY H . 30412 1 173 . 1 1 22 22 GLY HA2 H 1 4.116 0.016 . 1 . . . . A 22 GLY HA2 . 30412 1 174 . 1 1 22 22 GLY HA3 H 1 3.928 0.014 . 1 . . . . A 22 GLY HA3 . 30412 1 stop_ save_