################################### # 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 30671 _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-1H TOCSY' . . . 30671 1 2 '2D 1H-1H NOESY' . . . 30671 1 3 '2D 1H-15N HSQC' . . . 30671 1 4 '2D 1H-13C HSQC' . . . 30671 1 5 '2D 1H-1H E.COSY' . . . 30671 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 GLY H H 1 8.391 0.002 . . . . . . A 1 GLY H1 . 30671 1 2 . 1 . 1 1 1 GLY HA2 H 1 4.427 0.005 . . . . . . A 1 GLY HA2 . 30671 1 3 . 1 . 1 1 1 GLY HA3 H 1 3.735 0.008 . . . . . . A 1 GLY HA3 . 30671 1 4 . 1 . 1 1 1 GLY CA C 13 42.171 0.014 . . . . . . A 1 GLY CA . 30671 1 5 . 1 . 1 1 1 GLY N N 15 108.543 0.000 . . . . . . A 1 GLY N . 30671 1 6 . 1 . 1 2 2 ARG H H 1 7.866 0.001 . . . . . . A 2 ARG H . 30671 1 7 . 1 . 1 2 2 ARG HA H 1 4.266 0.002 . . . . . . A 2 ARG HA . 30671 1 8 . 1 . 1 2 2 ARG HB2 H 1 1.663 0.008 . . . . . . A 2 ARG HB2 . 30671 1 9 . 1 . 1 2 2 ARG HB3 H 1 1.993 0.004 . . . . . . A 2 ARG HB3 . 30671 1 10 . 1 . 1 2 2 ARG HG2 H 1 1.601 0.004 . . . . . . A 2 ARG HG2 . 30671 1 11 . 1 . 1 2 2 ARG HG3 H 1 1.597 0.007 . . . . . . A 2 ARG HG3 . 30671 1 12 . 1 . 1 2 2 ARG HD2 H 1 3.143 0.004 . . . . . . A 2 ARG HD2 . 30671 1 13 . 1 . 1 2 2 ARG HD3 H 1 3.207 0.003 . . . . . . A 2 ARG HD3 . 30671 1 14 . 1 . 1 2 2 ARG HE H 1 7.819 0.002 . . . . . . A 2 ARG HE . 30671 1 15 . 1 . 1 2 2 ARG CA C 13 54.628 0.000 . . . . . . A 2 ARG CA . 30671 1 16 . 1 . 1 2 2 ARG CB C 13 28.369 0.026 . . . . . . A 2 ARG CB . 30671 1 17 . 1 . 1 2 2 ARG CG C 13 25.038 0.000 . . . . . . A 2 ARG CG . 30671 1 18 . 1 . 1 2 2 ARG CD C 13 40.653 0.001 . . . . . . A 2 ARG CD . 30671 1 19 . 1 . 1 2 2 ARG N N 15 121.555 0.000 . . . . . . A 2 ARG N . 30671 1 20 . 1 . 1 2 2 ARG NE N 15 125.574 0.000 . . . . . . A 2 ARG NE . 30671 1 21 . 1 . 1 3 3 ALA H H 1 8.455 0.001 . . . . . . A 3 ALA H . 30671 1 22 . 1 . 1 3 3 ALA HA H 1 5.262 0.005 . . . . . . A 3 ALA HA . 30671 1 23 . 1 . 1 3 3 ALA HB1 H 1 2.284 0.008 . . . . . . A 3 ALA HB1 . 30671 1 24 . 1 . 1 3 3 ALA HB2 H 1 2.484 0.006 . . . . . . A 3 ALA HB2 . 30671 1 25 . 1 . 1 3 3 ALA HB3 H 1 2.484 0.006 . . . . . . A 3 ALA HB3 . 30671 1 26 . 1 . 1 3 3 ALA CA C 13 51.259 0.000 . . . . . . A 3 ALA CA . 30671 1 27 . 1 . 1 3 3 ALA CB C 13 36.909 0.006 . . . . . . A 3 ALA CB . 30671 1 28 . 1 . 1 3 3 ALA N N 15 122.519 0.000 . . . . . . A 3 ALA N . 30671 1 29 . 1 . 1 4 4 TYR H H 1 8.690 0.002 . . . . . . A 4 TYR H . 30671 1 30 . 1 . 1 4 4 TYR HA H 1 4.724 0.008 . . . . . . A 4 TYR HA . 30671 1 31 . 1 . 1 4 4 TYR HB2 H 1 2.749 0.002 . . . . . . A 4 TYR HB2 . 30671 1 32 . 1 . 1 4 4 TYR HB3 H 1 3.014 0.004 . . . . . . A 4 TYR HB3 . 30671 1 33 . 1 . 1 4 4 TYR HD1 H 1 7.054 0.005 . . . . . . A 4 TYR HD1 . 30671 1 34 . 1 . 1 4 4 TYR HD2 H 1 7.054 0.005 . . . . . . A 4 TYR HD2 . 30671 1 35 . 1 . 1 4 4 TYR HE1 H 1 6.756 0.005 . . . . . . A 4 TYR HE1 . 30671 1 36 . 1 . 1 4 4 TYR HE2 H 1 6.756 0.005 . . . . . . A 4 TYR HE2 . 30671 1 37 . 1 . 1 4 4 TYR CA C 13 53.392 0.000 . . . . . . A 4 TYR CA . 30671 1 38 . 1 . 1 4 4 TYR CB C 13 37.335 0.042 . . . . . . A 4 TYR CB . 30671 1 39 . 1 . 1 4 4 TYR CD1 C 13 130.168 0.000 . . . . . . A 4 TYR CD1 . 30671 1 40 . 1 . 1 4 4 TYR CE2 C 13 115.360 0.000 . . . . . . A 4 TYR CE2 . 30671 1 41 . 1 . 1 4 4 TYR N N 15 120.515 0.000 . . . . . . A 4 TYR N . 30671 1 42 . 1 . 1 5 5 LYS H H 1 8.714 0.004 . . . . . . A 5 LYS H . 30671 1 43 . 1 . 1 5 5 LYS HA H 1 4.349 0.003 . . . . . . A 5 LYS HA . 30671 1 44 . 1 . 1 5 5 LYS HB2 H 1 1.689 0.006 . . . . . . A 5 LYS HB2 . 30671 1 45 . 1 . 1 5 5 LYS HB3 H 1 1.935 0.004 . . . . . . A 5 LYS HB3 . 30671 1 46 . 1 . 1 5 5 LYS HG2 H 1 1.386 0.006 . . . . . . A 5 LYS HG2 . 30671 1 47 . 1 . 1 5 5 LYS HG3 H 1 1.490 0.006 . . . . . . A 5 LYS HG3 . 30671 1 48 . 1 . 1 5 5 LYS HD2 H 1 1.690 0.007 . . . . . . A 5 LYS HD2 . 30671 1 49 . 1 . 1 5 5 LYS HD3 H 1 1.689 0.008 . . . . . . A 5 LYS HD3 . 30671 1 50 . 1 . 1 5 5 LYS HE2 H 1 3.018 0.005 . . . . . . A 5 LYS HE2 . 30671 1 51 . 1 . 1 5 5 LYS HE3 H 1 3.020 0.003 . . . . . . A 5 LYS HE3 . 30671 1 52 . 1 . 1 5 5 LYS HZ1 H 1 7.547 0.003 . . . . . . A 5 LYS HZ1 . 30671 1 53 . 1 . 1 5 5 LYS HZ2 H 1 7.547 0.003 . . . . . . A 5 LYS HZ2 . 30671 1 54 . 1 . 1 5 5 LYS HZ3 H 1 7.547 0.003 . . . . . . A 5 LYS HZ3 . 30671 1 55 . 1 . 1 5 5 LYS CA C 13 53.336 0.000 . . . . . . A 5 LYS CA . 30671 1 56 . 1 . 1 5 5 LYS CB C 13 27.536 0.002 . . . . . . A 5 LYS CB . 30671 1 57 . 1 . 1 5 5 LYS CG C 13 22.094 0.013 . . . . . . A 5 LYS CG . 30671 1 58 . 1 . 1 5 5 LYS CD C 13 26.403 0.000 . . . . . . A 5 LYS CD . 30671 1 59 . 1 . 1 5 5 LYS CE C 13 39.530 0.000 . . . . . . A 5 LYS CE . 30671 1 60 . 1 . 1 5 5 LYS N N 15 125.766 0.000 . . . . . . A 5 LYS N . 30671 1 61 . 1 . 1 5 5 LYS NZ N 15 112.553 0.000 . . . . . . A 5 LYS NZ . 30671 1 62 . 1 . 1 6 6 SER H H 1 7.527 0.002 . . . . . . A 6 SER H . 30671 1 63 . 1 . 1 6 6 SER HA H 1 4.345 0.004 . . . . . . A 6 SER HA . 30671 1 64 . 1 . 1 6 6 SER HB2 H 1 3.687 0.003 . . . . . . A 6 SER HB2 . 30671 1 65 . 1 . 1 6 6 SER HB3 H 1 3.919 0.004 . . . . . . A 6 SER HB3 . 30671 1 66 . 1 . 1 6 6 SER CA C 13 54.564 0.000 . . . . . . A 6 SER CA . 30671 1 67 . 1 . 1 6 6 SER CB C 13 61.913 0.007 . . . . . . A 6 SER CB . 30671 1 68 . 1 . 1 6 6 SER N N 15 115.154 0.000 . . . . . . A 6 SER N . 30671 1 69 . 1 . 1 7 7 LYS H H 1 8.222 0.001 . . . . . . A 7 LYS H . 30671 1 70 . 1 . 1 7 7 LYS HA H 1 4.638 0.005 . . . . . . A 7 LYS HA . 30671 1 71 . 1 . 1 7 7 LYS HB2 H 1 1.698 0.005 . . . . . . A 7 LYS HB2 . 30671 1 72 . 1 . 1 7 7 LYS HB3 H 1 1.699 0.005 . . . . . . A 7 LYS HB3 . 30671 1 73 . 1 . 1 7 7 LYS HG2 H 1 1.236 0.010 . . . . . . A 7 LYS HG2 . 30671 1 74 . 1 . 1 7 7 LYS HG3 H 1 1.362 0.004 . . . . . . A 7 LYS HG3 . 30671 1 75 . 1 . 1 7 7 LYS HD2 H 1 1.652 0.007 . . . . . . A 7 LYS HD2 . 30671 1 76 . 1 . 1 7 7 LYS HD3 H 1 1.652 0.007 . . . . . . A 7 LYS HD3 . 30671 1 77 . 1 . 1 7 7 LYS HE2 H 1 2.950 0.007 . . . . . . A 7 LYS HE2 . 30671 1 78 . 1 . 1 7 7 LYS HE3 H 1 2.950 0.006 . . . . . . A 7 LYS HE3 . 30671 1 79 . 1 . 1 7 7 LYS HZ1 H 1 7.489 0.004 . . . . . . A 7 LYS HZ1 . 30671 1 80 . 1 . 1 7 7 LYS HZ2 H 1 7.489 0.004 . . . . . . A 7 LYS HZ2 . 30671 1 81 . 1 . 1 7 7 LYS HZ3 H 1 7.489 0.004 . . . . . . A 7 LYS HZ3 . 30671 1 82 . 1 . 1 7 7 LYS CA C 13 50.235 0.000 . . . . . . A 7 LYS CA . 30671 1 83 . 1 . 1 7 7 LYS CB C 13 30.903 0.000 . . . . . . A 7 LYS CB . 30671 1 84 . 1 . 1 7 7 LYS CG C 13 21.950 0.026 . . . . . . A 7 LYS CG . 30671 1 85 . 1 . 1 7 7 LYS CD C 13 26.589 0.000 . . . . . . A 7 LYS CD . 30671 1 86 . 1 . 1 7 7 LYS CE C 13 39.458 0.000 . . . . . . A 7 LYS CE . 30671 1 87 . 1 . 1 7 7 LYS N N 15 119.574 0.000 . . . . . . A 7 LYS N . 30671 1 88 . 1 . 1 7 7 LYS NZ N 15 112.553 0.000 . . . . . . A 7 LYS NZ . 30671 1 89 . 1 . 1 8 8 PRO HA H 1 5.105 0.004 . . . . . . A 8 PRO HA . 30671 1 90 . 1 . 1 8 8 PRO HB2 H 1 2.107 0.004 . . . . . . A 8 PRO HB2 . 30671 1 91 . 1 . 1 8 8 PRO HB3 H 1 2.409 0.006 . . . . . . A 8 PRO HB3 . 30671 1 92 . 1 . 1 8 8 PRO HG2 H 1 1.807 0.009 . . . . . . A 8 PRO HG2 . 30671 1 93 . 1 . 1 8 8 PRO HG3 H 1 1.942 0.008 . . . . . . A 8 PRO HG3 . 30671 1 94 . 1 . 1 8 8 PRO HD2 H 1 3.475 0.002 . . . . . . A 8 PRO HD2 . 30671 1 95 . 1 . 1 8 8 PRO HD3 H 1 3.586 0.004 . . . . . . A 8 PRO HD3 . 30671 1 96 . 1 . 1 8 8 PRO CA C 13 59.702 0.000 . . . . . . A 8 PRO CA . 30671 1 97 . 1 . 1 8 8 PRO CB C 13 30.332 0.001 . . . . . . A 8 PRO CB . 30671 1 98 . 1 . 1 8 8 PRO CG C 13 21.919 0.007 . . . . . . A 8 PRO CG . 30671 1 99 . 1 . 1 8 8 PRO CD C 13 47.556 0.014 . . . . . . A 8 PRO CD . 30671 1 100 . 1 . 1 9 9 PRO HA H 1 4.336 0.003 . . . . . . A 9 PRO HA . 30671 1 101 . 1 . 1 9 9 PRO HB2 H 1 1.911 0.007 . . . . . . A 9 PRO HB2 . 30671 1 102 . 1 . 1 9 9 PRO HB3 H 1 2.249 0.005 . . . . . . A 9 PRO HB3 . 30671 1 103 . 1 . 1 9 9 PRO HG2 H 1 2.124 0.008 . . . . . . A 9 PRO HG2 . 30671 1 104 . 1 . 1 9 9 PRO HG3 H 1 2.128 0.010 . . . . . . A 9 PRO HG3 . 30671 1 105 . 1 . 1 9 9 PRO HD2 H 1 3.780 0.002 . . . . . . A 9 PRO HD2 . 30671 1 106 . 1 . 1 9 9 PRO HD3 H 1 3.689 0.003 . . . . . . A 9 PRO HD3 . 30671 1 107 . 1 . 1 9 9 PRO CA C 13 60.965 0.000 . . . . . . A 9 PRO CA . 30671 1 108 . 1 . 1 9 9 PRO CB C 13 29.898 0.018 . . . . . . A 9 PRO CB . 30671 1 109 . 1 . 1 9 9 PRO CG C 13 24.926 0.000 . . . . . . A 9 PRO CG . 30671 1 110 . 1 . 1 9 9 PRO CD C 13 47.895 0.021 . . . . . . A 9 PRO CD . 30671 1 111 . 1 . 1 10 10 ILE H H 1 7.310 0.003 . . . . . . A 10 ILE H . 30671 1 112 . 1 . 1 10 10 ILE HA H 1 4.285 0.003 . . . . . . A 10 ILE HA . 30671 1 113 . 1 . 1 10 10 ILE HB H 1 1.487 0.003 . . . . . . A 10 ILE HB . 30671 1 114 . 1 . 1 10 10 ILE HG12 H 1 0.890 0.007 . . . . . . A 10 ILE HG12 . 30671 1 115 . 1 . 1 10 10 ILE HG13 H 1 1.317 0.011 . . . . . . A 10 ILE HG13 . 30671 1 116 . 1 . 1 10 10 ILE HG21 H 1 0.608 0.008 . . . . . . A 10 ILE HG21 . 30671 1 117 . 1 . 1 10 10 ILE HG22 H 1 0.608 0.008 . . . . . . A 10 ILE HG22 . 30671 1 118 . 1 . 1 10 10 ILE HG23 H 1 0.608 0.008 . . . . . . A 10 ILE HG23 . 30671 1 119 . 1 . 1 10 10 ILE HD11 H 1 0.754 0.003 . . . . . . A 10 ILE HD11 . 30671 1 120 . 1 . 1 10 10 ILE HD12 H 1 0.754 0.003 . . . . . . A 10 ILE HD12 . 30671 1 121 . 1 . 1 10 10 ILE HD13 H 1 0.754 0.003 . . . . . . A 10 ILE HD13 . 30671 1 122 . 1 . 1 10 10 ILE CA C 13 56.637 0.000 . . . . . . A 10 ILE CA . 30671 1 123 . 1 . 1 10 10 ILE CB C 13 38.709 0.000 . . . . . . A 10 ILE CB . 30671 1 124 . 1 . 1 10 10 ILE CG1 C 13 24.429 0.006 . . . . . . A 10 ILE CG1 . 30671 1 125 . 1 . 1 10 10 ILE CG2 C 13 14.684 0.000 . . . . . . A 10 ILE CG2 . 30671 1 126 . 1 . 1 10 10 ILE CD1 C 13 10.407 0.000 . . . . . . A 10 ILE CD1 . 30671 1 127 . 1 . 1 10 10 ILE N N 15 119.405 0.000 . . . . . . A 10 ILE N . 30671 1 128 . 1 . 1 11 11 ALA H H 1 8.445 0.002 . . . . . . A 11 ALA H . 30671 1 129 . 1 . 1 11 11 ALA HA H 1 5.393 0.007 . . . . . . A 11 ALA HA . 30671 1 130 . 1 . 1 11 11 ALA HB1 H 1 2.925 0.008 . . . . . . A 11 ALA HB1 . 30671 1 131 . 1 . 1 11 11 ALA HB2 H 1 3.188 0.010 . . . . . . A 11 ALA HB2 . 30671 1 132 . 1 . 1 11 11 ALA HB3 H 1 3.188 0.010 . . . . . . A 11 ALA HB3 . 30671 1 133 . 1 . 1 11 11 ALA CA C 13 50.661 0.000 . . . . . . A 11 ALA CA . 30671 1 134 . 1 . 1 11 11 ALA CB C 13 26.139 0.010 . . . . . . A 11 ALA CB . 30671 1 135 . 1 . 1 11 11 ALA N N 15 121.142 0.000 . . . . . . A 11 ALA N . 30671 1 136 . 1 . 1 12 12 PHE H H 1 8.958 0.003 . . . . . . A 12 PHE H . 30671 1 137 . 1 . 1 12 12 PHE HA H 1 4.976 0.007 . . . . . . A 12 PHE HA . 30671 1 138 . 1 . 1 12 12 PHE HB2 H 1 2.978 0.015 . . . . . . A 12 PHE HB2 . 30671 1 139 . 1 . 1 12 12 PHE HB3 H 1 3.362 0.011 . . . . . . A 12 PHE HB3 . 30671 1 140 . 1 . 1 12 12 PHE HD1 H 1 7.220 0.008 . . . . . . A 12 PHE HD1 . 30671 1 141 . 1 . 1 12 12 PHE HD2 H 1 7.220 0.008 . . . . . . A 12 PHE HD2 . 30671 1 142 . 1 . 1 12 12 PHE HE1 H 1 7.144 0.008 . . . . . . A 12 PHE HE1 . 30671 1 143 . 1 . 1 12 12 PHE HE2 H 1 7.144 0.008 . . . . . . A 12 PHE HE2 . 30671 1 144 . 1 . 1 12 12 PHE HZ H 1 7.180 0.000 . . . . . . A 12 PHE HZ . 30671 1 145 . 1 . 1 12 12 PHE CA C 13 53.779 0.000 . . . . . . A 12 PHE CA . 30671 1 146 . 1 . 1 12 12 PHE CB C 13 37.408 0.000 . . . . . . A 12 PHE CB . 30671 1 147 . 1 . 1 12 12 PHE CD1 C 13 128.659 0.000 . . . . . . A 12 PHE CD1 . 30671 1 148 . 1 . 1 12 12 PHE CE1 C 13 128.720 0.000 . . . . . . A 12 PHE CE1 . 30671 1 149 . 1 . 1 12 12 PHE CZ C 13 127.362 0.000 . . . . . . A 12 PHE CZ . 30671 1 150 . 1 . 1 12 12 PHE N N 15 121.290 0.000 . . . . . . A 12 PHE N . 30671 1 151 . 1 . 1 13 13 PRO HA H 1 4.420 0.005 . . . . . . A 13 PRO HA . 30671 1 152 . 1 . 1 13 13 PRO HB2 H 1 2.038 0.004 . . . . . . A 13 PRO HB2 . 30671 1 153 . 1 . 1 13 13 PRO HB3 H 1 2.451 0.007 . . . . . . A 13 PRO HB3 . 30671 1 154 . 1 . 1 13 13 PRO HG2 H 1 2.198 0.002 . . . . . . A 13 PRO HG2 . 30671 1 155 . 1 . 1 13 13 PRO HG3 H 1 2.101 0.003 . . . . . . A 13 PRO HG3 . 30671 1 156 . 1 . 1 13 13 PRO HD2 H 1 4.045 0.004 . . . . . . A 13 PRO HD2 . 30671 1 157 . 1 . 1 13 13 PRO HD3 H 1 4.045 0.004 . . . . . . A 13 PRO HD3 . 30671 1 158 . 1 . 1 13 13 PRO CA C 13 62.539 0.000 . . . . . . A 13 PRO CA . 30671 1 159 . 1 . 1 13 13 PRO CB C 13 29.111 0.016 . . . . . . A 13 PRO CB . 30671 1 160 . 1 . 1 13 13 PRO CG C 13 24.953 0.000 . . . . . . A 13 PRO CG . 30671 1 161 . 1 . 1 13 13 PRO CD C 13 48.567 0.000 . . . . . . A 13 PRO CD . 30671 1 162 . 1 . 1 14 14 ASP H H 1 7.770 0.001 . . . . . . A 14 ASP H . 30671 1 163 . 1 . 1 14 14 ASP HA H 1 4.524 0.002 . . . . . . A 14 ASP HA . 30671 1 164 . 1 . 1 14 14 ASP HB2 H 1 2.759 0.016 . . . . . . A 14 ASP HB2 . 30671 1 165 . 1 . 1 14 14 ASP HB3 H 1 3.137 0.017 . . . . . . A 14 ASP HB3 . 30671 1 166 . 1 . 1 14 14 ASP CA C 13 50.860 0.000 . . . . . . A 14 ASP CA . 30671 1 167 . 1 . 1 14 14 ASP CB C 13 36.330 0.000 . . . . . . A 14 ASP CB . 30671 1 168 . 1 . 1 14 14 ASP N N 15 113.894 0.000 . . . . . . A 14 ASP N . 30671 1 169 . 2 . 2 1 1 WMH C C 13 44.985 0.027 . . . . . . A 101 WMH C . 30671 1 170 . 2 . 2 1 1 WMH H2 H 1 4.434 0.004 . . . . . . A 101 WMH H2 . 30671 1 171 . 2 . 2 1 1 WMH H1 H 1 4.336 0.003 . . . . . . A 101 WMH H1 . 30671 1 172 . 2 . 2 1 1 WMH H5 H 1 7.410 0.000 . . . . . . A 101 WMH H5 . 30671 1 stop_ save_