################################### # 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 30813 _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' . . . 30813 1 2 '2D 1H-1H NOESY' . . . 30813 1 3 '2D 1H-15N HSQC' . . . 30813 1 4 '2D 1H-13C HSQC aliphatic' . . . 30813 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 4.254 0.003 . 1 . . . . A 1 ALA HA . 30813 1 2 . 1 . 1 1 1 ALA HB1 H 1 1.299 0.004 . . . . . . A 1 ALA HB1 . 30813 1 3 . 1 . 1 1 1 ALA HB2 H 1 1.299 0.004 . . . . . . A 1 ALA HB2 . 30813 1 4 . 1 . 1 1 1 ALA HB3 H 1 1.299 0.004 . . . . . . A 1 ALA HB3 . 30813 1 5 . 1 . 1 1 1 ALA CA C 13 51.821 0.000 . 1 . . . . A 1 ALA CA . 30813 1 6 . 1 . 1 1 1 ALA CB C 13 19.402 0.000 . 1 . . . . A 1 ALA CB . 30813 1 7 . 1 . 1 2 2 ILE H H 1 9.153 0.001 . 1 . . . . A 2 ILE H . 30813 1 8 . 1 . 1 2 2 ILE HA H 1 4.746 0.008 . 1 . . . . A 2 ILE HA . 30813 1 9 . 1 . 1 2 2 ILE HB H 1 1.826 0.002 . 1 . . . . A 2 ILE HB . 30813 1 10 . 1 . 1 2 2 ILE HG12 H 1 1.161 0.001 . 2 . . . . A 2 ILE HG12 . 30813 1 11 . 1 . 1 2 2 ILE HG13 H 1 1.559 0.023 . 2 . . . . A 2 ILE HG13 . 30813 1 12 . 1 . 1 2 2 ILE HG21 H 1 0.951 0.002 . . . . . . A 2 ILE HG21 . 30813 1 13 . 1 . 1 2 2 ILE HG22 H 1 0.951 0.002 . . . . . . A 2 ILE HG22 . 30813 1 14 . 1 . 1 2 2 ILE HG23 H 1 0.951 0.002 . . . . . . A 2 ILE HG23 . 30813 1 15 . 1 . 1 2 2 ILE HD11 H 1 0.885 0.003 . . . . . . A 2 ILE HD11 . 30813 1 16 . 1 . 1 2 2 ILE HD12 H 1 0.885 0.003 . . . . . . A 2 ILE HD12 . 30813 1 17 . 1 . 1 2 2 ILE HD13 H 1 0.885 0.003 . . . . . . A 2 ILE HD13 . 30813 1 18 . 1 . 1 2 2 ILE CB C 13 40.428 0.007 . 1 . . . . A 2 ILE CB . 30813 1 19 . 1 . 1 2 2 ILE CG1 C 13 27.071 0.018 . 1 . . . . A 2 ILE CG1 . 30813 1 20 . 1 . 1 2 2 ILE CG2 C 13 16.733 0.014 . 1 . . . . A 2 ILE CG2 . 30813 1 21 . 1 . 1 2 2 ILE CD1 C 13 13.299 0.007 . 1 . . . . A 2 ILE CD1 . 30813 1 22 . 1 . 1 2 2 ILE N N 15 123.080 0.000 . 1 . . . . A 2 ILE N . 30813 1 23 . 1 . 1 3 3 PRO HA H 1 4.372 0.001 . 1 . . . . A 3 PRO HA . 30813 1 24 . 1 . 1 3 3 PRO HB2 H 1 1.928 0.002 . 2 . . . . A 3 PRO HB2 . 30813 1 25 . 1 . 1 3 3 PRO HB3 H 1 2.213 0.009 . 2 . . . . A 3 PRO HB3 . 30813 1 26 . 1 . 1 3 3 PRO HG2 H 1 2.072 0.004 . 2 . . . . A 3 PRO HG2 . 30813 1 27 . 1 . 1 3 3 PRO HG3 H 1 2.199 0.009 . 2 . . . . A 3 PRO HG3 . 30813 1 28 . 1 . 1 3 3 PRO HD2 H 1 3.875 0.003 . 2 . . . . A 3 PRO HD2 . 30813 1 29 . 1 . 1 3 3 PRO HD3 H 1 4.078 0.002 . 2 . . . . A 3 PRO HD3 . 30813 1 30 . 1 . 1 3 3 PRO CA C 13 63.271 0.000 . 1 . . . . A 3 PRO CA . 30813 1 31 . 1 . 1 3 3 PRO CB C 13 32.152 0.000 . 1 . . . . A 3 PRO CB . 30813 1 32 . 1 . 1 3 3 PRO CG C 13 27.683 0.004 . 1 . . . . A 3 PRO CG . 30813 1 33 . 1 . 1 3 3 PRO CD C 13 51.301 0.000 . 1 . . . . A 3 PRO CD . 30813 1 34 . 1 . 1 4 4 CYS H H 1 8.467 0.002 . 1 . . . . A 4 CYS H . 30813 1 35 . 1 . 1 4 4 CYS HA H 1 4.629 0.003 . 1 . . . . A 4 CYS HA . 30813 1 36 . 1 . 1 4 4 CYS HB2 H 1 3.127 0.002 . 2 . . . . A 4 CYS HB2 . 30813 1 37 . 1 . 1 4 4 CYS HB3 H 1 3.127 0.002 . 2 . . . . A 4 CYS HB3 . 30813 1 38 . 1 . 1 4 4 CYS CA C 13 57.266 0.000 . 1 . . . . A 4 CYS CA . 30813 1 39 . 1 . 1 4 4 CYS CB C 13 45.026 0.000 . 1 . . . . A 4 CYS CB . 30813 1 40 . 1 . 1 4 4 CYS N N 15 118.795 0.000 . 1 . . . . A 4 CYS N . 30813 1 41 . 1 . 1 5 5 GLY H H 1 8.843 0.003 . 1 . . . . A 5 GLY H . 30813 1 42 . 1 . 1 5 5 GLY HA2 H 1 3.707 0.001 . 2 . . . . A 5 GLY HA2 . 30813 1 43 . 1 . 1 5 5 GLY HA3 H 1 4.081 0.002 . 2 . . . . A 5 GLY HA3 . 30813 1 44 . 1 . 1 5 5 GLY CA C 13 45.770 0.005 . 1 . . . . A 5 GLY CA . 30813 1 45 . 1 . 1 5 5 GLY N N 15 109.914 0.000 . 1 . . . . A 5 GLY N . 30813 1 46 . 1 . 1 6 6 GLU H H 1 7.727 0.001 . 1 . . . . A 6 GLU H . 30813 1 47 . 1 . 1 6 6 GLU HA H 1 4.621 0.004 . 1 . . . . A 6 GLU HA . 30813 1 48 . 1 . 1 6 6 GLU HB2 H 1 1.775 0.006 . 2 . . . . A 6 GLU HB2 . 30813 1 49 . 1 . 1 6 6 GLU HB3 H 1 2.080 0.014 . 2 . . . . A 6 GLU HB3 . 30813 1 50 . 1 . 1 6 6 GLU HG2 H 1 2.413 0.010 . 2 . . . . A 6 GLU HG2 . 30813 1 51 . 1 . 1 6 6 GLU HG3 H 1 2.413 0.010 . 2 . . . . A 6 GLU HG3 . 30813 1 52 . 1 . 1 6 6 GLU CA C 13 54.945 0.000 . 1 . . . . A 6 GLU CA . 30813 1 53 . 1 . 1 6 6 GLU CB C 13 31.418 0.006 . 1 . . . . A 6 GLU CB . 30813 1 54 . 1 . 1 6 6 GLU CG C 13 32.824 0.000 . 1 . . . . A 6 GLU CG . 30813 1 55 . 1 . 1 6 6 GLU N N 15 116.916 0.000 . 1 . . . . A 6 GLU N . 30813 1 56 . 1 . 1 7 7 SER H H 1 8.712 0.000 . 1 . . . . A 7 SER H . 30813 1 57 . 1 . 1 7 7 SER HA H 1 4.697 0.005 . 1 . . . . A 7 SER HA . 30813 1 58 . 1 . 1 7 7 SER HB2 H 1 3.909 0.001 . 2 . . . . A 7 SER HB2 . 30813 1 59 . 1 . 1 7 7 SER HB3 H 1 4.052 0.003 . 2 . . . . A 7 SER HB3 . 30813 1 60 . 1 . 1 7 7 SER CB C 13 64.691 0.010 . 1 . . . . A 7 SER CB . 30813 1 61 . 1 . 1 7 7 SER N N 15 117.102 0.000 . 1 . . . . A 7 SER N . 30813 1 62 . 1 . 1 8 8 CYS H H 1 8.119 0.001 . 1 . . . . A 8 CYS H . 30813 1 63 . 1 . 1 8 8 CYS HA H 1 5.463 0.003 . 1 . . . . A 8 CYS HA . 30813 1 64 . 1 . 1 8 8 CYS HB2 H 1 3.209 0.005 . 2 . . . . A 8 CYS HB2 . 30813 1 65 . 1 . 1 8 8 CYS HB3 H 1 3.312 0.002 . 2 . . . . A 8 CYS HB3 . 30813 1 66 . 1 . 1 8 8 CYS CA C 13 55.392 0.000 . 1 . . . . A 8 CYS CA . 30813 1 67 . 1 . 1 8 8 CYS CB C 13 46.002 0.000 . 1 . . . . A 8 CYS CB . 30813 1 68 . 1 . 1 8 8 CYS N N 15 120.371 0.000 . 1 . . . . A 8 CYS N . 30813 1 69 . 1 . 1 9 9 VAL H H 1 7.872 0.001 . 1 . . . . A 9 VAL H . 30813 1 70 . 1 . 1 9 9 VAL HA H 1 3.487 0.001 . 1 . . . . A 9 VAL HA . 30813 1 71 . 1 . 1 9 9 VAL HB H 1 1.647 0.005 . 1 . . . . A 9 VAL HB . 30813 1 72 . 1 . 1 9 9 VAL HG11 H 1 0.975 0.004 . . . . . . A 9 VAL HG11 . 30813 1 73 . 1 . 1 9 9 VAL HG12 H 1 0.975 0.004 . . . . . . A 9 VAL HG12 . 30813 1 74 . 1 . 1 9 9 VAL HG13 H 1 0.975 0.004 . . . . . . A 9 VAL HG13 . 30813 1 75 . 1 . 1 9 9 VAL HG21 H 1 0.298 0.001 . . . . . . A 9 VAL HG21 . 30813 1 76 . 1 . 1 9 9 VAL HG22 H 1 0.298 0.001 . . . . . . A 9 VAL HG22 . 30813 1 77 . 1 . 1 9 9 VAL HG23 H 1 0.298 0.001 . . . . . . A 9 VAL HG23 . 30813 1 78 . 1 . 1 9 9 VAL CA C 13 66.073 0.000 . 1 . . . . A 9 VAL CA . 30813 1 79 . 1 . 1 9 9 VAL CB C 13 32.170 0.000 . 1 . . . . A 9 VAL CB . 30813 1 80 . 1 . 1 9 9 VAL CG1 C 13 22.724 0.000 . 2 . . . . A 9 VAL CG1 . 30813 1 81 . 1 . 1 9 9 VAL CG2 C 13 20.471 0.000 . 2 . . . . A 9 VAL CG2 . 30813 1 82 . 1 . 1 9 9 VAL N N 15 122.009 0.000 . 1 . . . . A 9 VAL N . 30813 1 83 . 1 . 1 10 10 TYR H H 1 8.304 0.001 . 1 . . . . A 10 TYR H . 30813 1 84 . 1 . 1 10 10 TYR HA H 1 4.680 0.005 . 1 . . . . A 10 TYR HA . 30813 1 85 . 1 . 1 10 10 TYR HB2 H 1 2.782 0.001 . 2 . . . . A 10 TYR HB2 . 30813 1 86 . 1 . 1 10 10 TYR HB3 H 1 3.252 0.002 . 2 . . . . A 10 TYR HB3 . 30813 1 87 . 1 . 1 10 10 TYR HD1 H 1 7.146 0.003 . 3 . . . . A 10 TYR HD1 . 30813 1 88 . 1 . 1 10 10 TYR HD2 H 1 7.146 0.003 . 3 . . . . A 10 TYR HD2 . 30813 1 89 . 1 . 1 10 10 TYR HE1 H 1 6.836 0.002 . 3 . . . . A 10 TYR HE1 . 30813 1 90 . 1 . 1 10 10 TYR HE2 H 1 6.836 0.002 . 3 . . . . A 10 TYR HE2 . 30813 1 91 . 1 . 1 10 10 TYR CA C 13 58.157 0.000 . 1 . . . . A 10 TYR CA . 30813 1 92 . 1 . 1 10 10 TYR CB C 13 40.419 0.001 . 1 . . . . A 10 TYR CB . 30813 1 93 . 1 . 1 10 10 TYR N N 15 115.324 0.000 . 1 . . . . A 10 TYR N . 30813 1 94 . 1 . 1 11 11 ILE H H 1 7.555 0.001 . 1 . . . . A 11 ILE H . 30813 1 95 . 1 . 1 11 11 ILE HA H 1 4.689 0.003 . 1 . . . . A 11 ILE HA . 30813 1 96 . 1 . 1 11 11 ILE HB H 1 1.915 0.003 . 1 . . . . A 11 ILE HB . 30813 1 97 . 1 . 1 11 11 ILE HG12 H 1 1.081 0.003 . 2 . . . . A 11 ILE HG12 . 30813 1 98 . 1 . 1 11 11 ILE HG13 H 1 1.464 0.002 . 2 . . . . A 11 ILE HG13 . 30813 1 99 . 1 . 1 11 11 ILE HG21 H 1 0.996 0.002 . . . . . . A 11 ILE HG21 . 30813 1 100 . 1 . 1 11 11 ILE HG22 H 1 0.996 0.002 . . . . . . A 11 ILE HG22 . 30813 1 101 . 1 . 1 11 11 ILE HG23 H 1 0.996 0.002 . . . . . . A 11 ILE HG23 . 30813 1 102 . 1 . 1 11 11 ILE HD11 H 1 0.886 0.005 . . . . . . A 11 ILE HD11 . 30813 1 103 . 1 . 1 11 11 ILE HD12 H 1 0.886 0.005 . . . . . . A 11 ILE HD12 . 30813 1 104 . 1 . 1 11 11 ILE HD13 H 1 0.886 0.005 . . . . . . A 11 ILE HD13 . 30813 1 105 . 1 . 1 11 11 ILE CB C 13 40.581 0.000 . 1 . . . . A 11 ILE CB . 30813 1 106 . 1 . 1 11 11 ILE CG1 C 13 26.063 0.008 . 1 . . . . A 11 ILE CG1 . 30813 1 107 . 1 . 1 11 11 ILE CG2 C 13 17.881 0.000 . 1 . . . . A 11 ILE CG2 . 30813 1 108 . 1 . 1 11 11 ILE N N 15 117.903 0.000 . 1 . . . . A 11 ILE N . 30813 1 109 . 1 . 1 12 12 PRO HA H 1 4.442 0.003 . 1 . . . . A 12 PRO HA . 30813 1 110 . 1 . 1 12 12 PRO HB2 H 1 1.862 0.002 . 2 . . . . A 12 PRO HB2 . 30813 1 111 . 1 . 1 12 12 PRO HB3 H 1 2.371 0.002 . 2 . . . . A 12 PRO HB3 . 30813 1 112 . 1 . 1 12 12 PRO HG2 H 1 1.948 0.010 . 2 . . . . A 12 PRO HG2 . 30813 1 113 . 1 . 1 12 12 PRO HG3 H 1 1.969 0.007 . 2 . . . . A 12 PRO HG3 . 30813 1 114 . 1 . 1 12 12 PRO HD2 H 1 3.634 0.001 . 2 . . . . A 12 PRO HD2 . 30813 1 115 . 1 . 1 12 12 PRO HD3 H 1 3.766 0.002 . 2 . . . . A 12 PRO HD3 . 30813 1 116 . 1 . 1 12 12 PRO CA C 13 62.195 0.000 . 1 . . . . A 12 PRO CA . 30813 1 117 . 1 . 1 12 12 PRO CB C 13 32.533 0.003 . 1 . . . . A 12 PRO CB . 30813 1 118 . 1 . 1 12 12 PRO CG C 13 27.391 0.000 . 1 . . . . A 12 PRO CG . 30813 1 119 . 1 . 1 12 12 PRO CD C 13 50.750 0.003 . 1 . . . . A 12 PRO CD . 30813 1 120 . 1 . 1 13 13 CYS H H 1 8.436 0.000 . 1 . . . . A 13 CYS H . 30813 1 121 . 1 . 1 13 13 CYS HA H 1 4.298 0.002 . 1 . . . . A 13 CYS HA . 30813 1 122 . 1 . 1 13 13 CYS HB2 H 1 2.632 0.003 . 2 . . . . A 13 CYS HB2 . 30813 1 123 . 1 . 1 13 13 CYS HB3 H 1 2.858 0.006 . 2 . . . . A 13 CYS HB3 . 30813 1 124 . 1 . 1 13 13 CYS CA C 13 57.016 0.000 . 1 . . . . A 13 CYS CA . 30813 1 125 . 1 . 1 13 13 CYS CB C 13 40.632 0.002 . 1 . . . . A 13 CYS CB . 30813 1 126 . 1 . 1 13 13 CYS N N 15 118.157 0.000 . 1 . . . . A 13 CYS N . 30813 1 127 . 1 . 1 14 14 ILE H H 1 8.296 0.002 . 1 . . . . A 14 ILE H . 30813 1 128 . 1 . 1 14 14 ILE HA H 1 4.196 0.001 . 1 . . . . A 14 ILE HA . 30813 1 129 . 1 . 1 14 14 ILE HB H 1 1.940 0.002 . 1 . . . . A 14 ILE HB . 30813 1 130 . 1 . 1 14 14 ILE HG12 H 1 1.244 0.015 . 2 . . . . A 14 ILE HG12 . 30813 1 131 . 1 . 1 14 14 ILE HG13 H 1 1.525 0.005 . 2 . . . . A 14 ILE HG13 . 30813 1 132 . 1 . 1 14 14 ILE HG21 H 1 0.928 0.000 . . . . . . A 14 ILE HG21 . 30813 1 133 . 1 . 1 14 14 ILE HG22 H 1 0.928 0.000 . . . . . . A 14 ILE HG22 . 30813 1 134 . 1 . 1 14 14 ILE HG23 H 1 0.928 0.000 . . . . . . A 14 ILE HG23 . 30813 1 135 . 1 . 1 14 14 ILE HD11 H 1 0.953 0.004 . . . . . . A 14 ILE HD11 . 30813 1 136 . 1 . 1 14 14 ILE HD12 H 1 0.953 0.004 . . . . . . A 14 ILE HD12 . 30813 1 137 . 1 . 1 14 14 ILE HD13 H 1 0.953 0.004 . . . . . . A 14 ILE HD13 . 30813 1 138 . 1 . 1 14 14 ILE CA C 13 62.115 0.000 . 1 . . . . A 14 ILE CA . 30813 1 139 . 1 . 1 14 14 ILE CB C 13 38.464 0.047 . 1 . . . . A 14 ILE CB . 30813 1 140 . 1 . 1 14 14 ILE CG1 C 13 27.699 0.002 . 1 . . . . A 14 ILE CG1 . 30813 1 141 . 1 . 1 14 14 ILE CG2 C 13 17.593 0.023 . 1 . . . . A 14 ILE CG2 . 30813 1 142 . 1 . 1 14 14 ILE CD1 C 13 17.662 0.000 . 1 . . . . A 14 ILE CD1 . 30813 1 143 . 1 . 1 14 14 ILE N N 15 123.119 0.000 . 1 . . . . A 14 ILE N . 30813 1 144 . 1 . 1 15 15 SER H H 1 8.488 0.002 . 1 . . . . A 15 SER H . 30813 1 145 . 1 . 1 15 15 SER HA H 1 4.496 0.003 . 1 . . . . A 15 SER HA . 30813 1 146 . 1 . 1 15 15 SER HB2 H 1 3.921 0.003 . 2 . . . . A 15 SER HB2 . 30813 1 147 . 1 . 1 15 15 SER HB3 H 1 4.019 0.004 . 2 . . . . A 15 SER HB3 . 30813 1 148 . 1 . 1 15 15 SER CA C 13 58.744 0.000 . 1 . . . . A 15 SER CA . 30813 1 149 . 1 . 1 15 15 SER CB C 13 63.037 0.000 . 1 . . . . A 15 SER CB . 30813 1 150 . 1 . 1 16 16 VAL H H 1 7.790 0.000 . 1 . . . . A 16 VAL H . 30813 1 151 . 1 . 1 16 16 VAL HA H 1 4.183 0.005 . 1 . . . . A 16 VAL HA . 30813 1 152 . 1 . 1 16 16 VAL HB H 1 2.163 0.001 . 1 . . . . A 16 VAL HB . 30813 1 153 . 1 . 1 16 16 VAL HG11 H 1 0.968 0.005 . . . . . . A 16 VAL HG11 . 30813 1 154 . 1 . 1 16 16 VAL HG12 H 1 0.968 0.005 . . . . . . A 16 VAL HG12 . 30813 1 155 . 1 . 1 16 16 VAL HG13 H 1 0.968 0.005 . . . . . . A 16 VAL HG13 . 30813 1 156 . 1 . 1 16 16 VAL HG21 H 1 0.963 0.008 . . . . . . A 16 VAL HG21 . 30813 1 157 . 1 . 1 16 16 VAL HG22 H 1 0.963 0.008 . . . . . . A 16 VAL HG22 . 30813 1 158 . 1 . 1 16 16 VAL HG23 H 1 0.963 0.008 . . . . . . A 16 VAL HG23 . 30813 1 159 . 1 . 1 16 16 VAL CA C 13 63.724 0.000 . 1 . . . . A 16 VAL CA . 30813 1 160 . 1 . 1 16 16 VAL CB C 13 32.738 0.024 . 1 . . . . A 16 VAL CB . 30813 1 161 . 1 . 1 16 16 VAL CG1 C 13 21.349 0.021 . 2 . . . . A 16 VAL CG1 . 30813 1 162 . 1 . 1 16 16 VAL CG2 C 13 21.360 0.009 . 2 . . . . A 16 VAL CG2 . 30813 1 163 . 1 . 1 16 16 VAL N N 15 120.153 0.000 . 1 . . . . A 16 VAL N . 30813 1 164 . 1 . 1 17 17 VAL H H 1 8.045 0.001 . 1 . . . . A 17 VAL H . 30813 1 165 . 1 . 1 17 17 VAL HA H 1 4.117 0.005 . 1 . . . . A 17 VAL HA . 30813 1 166 . 1 . 1 17 17 VAL HB H 1 2.177 0.002 . 1 . . . . A 17 VAL HB . 30813 1 167 . 1 . 1 17 17 VAL HG11 H 1 0.982 0.011 . . . . . . A 17 VAL HG11 . 30813 1 168 . 1 . 1 17 17 VAL HG12 H 1 0.982 0.011 . . . . . . A 17 VAL HG12 . 30813 1 169 . 1 . 1 17 17 VAL HG13 H 1 0.982 0.011 . . . . . . A 17 VAL HG13 . 30813 1 170 . 1 . 1 17 17 VAL HG21 H 1 0.963 0.009 . . . . . . A 17 VAL HG21 . 30813 1 171 . 1 . 1 17 17 VAL HG22 H 1 0.963 0.009 . . . . . . A 17 VAL HG22 . 30813 1 172 . 1 . 1 17 17 VAL HG23 H 1 0.963 0.009 . . . . . . A 17 VAL HG23 . 30813 1 173 . 1 . 1 17 17 VAL CA C 13 63.173 0.000 . 1 . . . . A 17 VAL CA . 30813 1 174 . 1 . 1 17 17 VAL N N 15 119.855 0.000 . 1 . . . . A 17 VAL N . 30813 1 175 . 1 . 1 18 18 ILE H H 1 7.721 0.001 . 1 . . . . A 18 ILE H . 30813 1 176 . 1 . 1 18 18 ILE HA H 1 4.255 0.004 . 1 . . . . A 18 ILE HA . 30813 1 177 . 1 . 1 18 18 ILE HB H 1 1.967 0.000 . 1 . . . . A 18 ILE HB . 30813 1 178 . 1 . 1 18 18 ILE HG12 H 1 1.192 0.004 . 2 . . . . A 18 ILE HG12 . 30813 1 179 . 1 . 1 18 18 ILE HG13 H 1 1.514 0.001 . 2 . . . . A 18 ILE HG13 . 30813 1 180 . 1 . 1 18 18 ILE HG21 H 1 0.932 0.005 . . . . . . A 18 ILE HG21 . 30813 1 181 . 1 . 1 18 18 ILE HG22 H 1 0.932 0.005 . . . . . . A 18 ILE HG22 . 30813 1 182 . 1 . 1 18 18 ILE HG23 H 1 0.932 0.005 . . . . . . A 18 ILE HG23 . 30813 1 183 . 1 . 1 19 19 GLY H H 1 8.241 0.001 . 1 . . . . A 19 GLY H . 30813 1 184 . 1 . 1 19 19 GLY HA2 H 1 3.769 0.002 . 2 . . . . A 19 GLY HA2 . 30813 1 185 . 1 . 1 19 19 GLY HA3 H 1 4.216 0.006 . 2 . . . . A 19 GLY HA3 . 30813 1 186 . 1 . 1 19 19 GLY CA C 13 45.512 0.017 . 1 . . . . A 19 GLY CA . 30813 1 187 . 1 . 1 19 19 GLY N N 15 110.349 0.000 . 1 . . . . A 19 GLY N . 30813 1 188 . 1 . 1 20 20 CYS H H 1 7.836 0.003 . 1 . . . . A 20 CYS H . 30813 1 189 . 1 . 1 20 20 CYS HA H 1 4.894 0.006 . 1 . . . . A 20 CYS HA . 30813 1 190 . 1 . 1 20 20 CYS HB2 H 1 2.665 0.008 . 2 . . . . A 20 CYS HB2 . 30813 1 191 . 1 . 1 20 20 CYS HB3 H 1 3.180 0.005 . 2 . . . . A 20 CYS HB3 . 30813 1 192 . 1 . 1 20 20 CYS CB C 13 46.600 0.035 . 1 . . . . A 20 CYS CB . 30813 1 193 . 1 . 1 20 20 CYS N N 15 118.006 0.000 . 1 . . . . A 20 CYS N . 30813 1 194 . 1 . 1 21 21 SER H H 1 9.583 0.001 . 1 . . . . A 21 SER H . 30813 1 195 . 1 . 1 21 21 SER HA H 1 4.687 0.002 . 1 . . . . A 21 SER HA . 30813 1 196 . 1 . 1 21 21 SER HB2 H 1 3.830 0.001 . 2 . . . . A 21 SER HB2 . 30813 1 197 . 1 . 1 21 21 SER HB3 H 1 3.830 0.001 . 2 . . . . A 21 SER HB3 . 30813 1 198 . 1 . 1 21 21 SER CB C 13 65.889 0.000 . 1 . . . . A 21 SER CB . 30813 1 199 . 1 . 1 21 21 SER N N 15 118.244 0.000 . 1 . . . . A 21 SER N . 30813 1 200 . 1 . 1 22 22 CYS H H 1 8.866 0.001 . 1 . . . . A 22 CYS H . 30813 1 201 . 1 . 1 22 22 CYS HA H 1 4.699 0.004 . 1 . . . . A 22 CYS HA . 30813 1 202 . 1 . 1 22 22 CYS HB2 H 1 3.100 0.002 . 2 . . . . A 22 CYS HB2 . 30813 1 203 . 1 . 1 22 22 CYS HB3 H 1 3.203 0.007 . 2 . . . . A 22 CYS HB3 . 30813 1 204 . 1 . 1 22 22 CYS CB C 13 41.089 0.004 . 1 . . . . A 22 CYS CB . 30813 1 205 . 1 . 1 22 22 CYS N N 15 123.781 0.000 . 1 . . . . A 22 CYS N . 30813 1 206 . 1 . 1 23 23 ARG H H 1 9.570 0.003 . 1 . . . . A 23 ARG H . 30813 1 207 . 1 . 1 23 23 ARG HA H 1 4.677 0.003 . 1 . . . . A 23 ARG HA . 30813 1 208 . 1 . 1 23 23 ARG HB2 H 1 1.838 0.002 . 2 . . . . A 23 ARG HB2 . 30813 1 209 . 1 . 1 23 23 ARG HB3 H 1 1.927 0.004 . 2 . . . . A 23 ARG HB3 . 30813 1 210 . 1 . 1 23 23 ARG HG2 H 1 1.552 0.001 . 2 . . . . A 23 ARG HG2 . 30813 1 211 . 1 . 1 23 23 ARG HG3 H 1 1.649 0.004 . 2 . . . . A 23 ARG HG3 . 30813 1 212 . 1 . 1 23 23 ARG HD2 H 1 2.963 0.003 . 2 . . . . A 23 ARG HD2 . 30813 1 213 . 1 . 1 23 23 ARG HD3 H 1 3.076 0.002 . 2 . . . . A 23 ARG HD3 . 30813 1 214 . 1 . 1 23 23 ARG HE H 1 6.921 0.000 . 1 . . . . A 23 ARG HE . 30813 1 215 . 1 . 1 23 23 ARG CB C 13 31.904 0.000 . 1 . . . . A 23 ARG CB . 30813 1 216 . 1 . 1 23 23 ARG CG C 13 26.839 0.016 . 1 . . . . A 23 ARG CG . 30813 1 217 . 1 . 1 23 23 ARG CD C 13 43.628 0.000 . 1 . . . . A 23 ARG CD . 30813 1 218 . 1 . 1 23 23 ARG N N 15 132.243 0.000 . 1 . . . . A 23 ARG N . 30813 1 219 . 1 . 1 24 24 ASN H H 1 9.355 0.003 . 1 . . . . A 24 ASN H . 30813 1 220 . 1 . 1 24 24 ASN HA H 1 4.316 0.004 . 1 . . . . A 24 ASN HA . 30813 1 221 . 1 . 1 24 24 ASN HB2 H 1 2.730 0.001 . 2 . . . . A 24 ASN HB2 . 30813 1 222 . 1 . 1 24 24 ASN HB3 H 1 3.051 0.002 . 2 . . . . A 24 ASN HB3 . 30813 1 223 . 1 . 1 24 24 ASN HD21 H 1 7.549 0.001 . 2 . . . . A 24 ASN HD21 . 30813 1 224 . 1 . 1 24 24 ASN HD22 H 1 6.878 0.001 . 2 . . . . A 24 ASN HD22 . 30813 1 225 . 1 . 1 24 24 ASN CA C 13 54.585 0.000 . 1 . . . . A 24 ASN CA . 30813 1 226 . 1 . 1 24 24 ASN CB C 13 37.326 0.000 . 1 . . . . A 24 ASN CB . 30813 1 227 . 1 . 1 24 24 ASN N N 15 124.770 0.000 . 1 . . . . A 24 ASN N . 30813 1 228 . 1 . 1 24 24 ASN ND2 N 15 112.392 0.010 . 1 . . . . A 24 ASN ND2 . 30813 1 229 . 1 . 1 25 25 LYS H H 1 8.290 0.002 . 1 . . . . A 25 LYS H . 30813 1 230 . 1 . 1 25 25 LYS HA H 1 3.484 0.001 . 1 . . . . A 25 LYS HA . 30813 1 231 . 1 . 1 25 25 LYS HB2 H 1 1.935 0.001 . 2 . . . . A 25 LYS HB2 . 30813 1 232 . 1 . 1 25 25 LYS HB3 H 1 2.280 0.002 . 2 . . . . A 25 LYS HB3 . 30813 1 233 . 1 . 1 25 25 LYS HG2 H 1 1.287 0.003 . 2 . . . . A 25 LYS HG2 . 30813 1 234 . 1 . 1 25 25 LYS HG3 H 1 1.287 0.003 . 2 . . . . A 25 LYS HG3 . 30813 1 235 . 1 . 1 25 25 LYS HE2 H 1 2.955 0.001 . 2 . . . . A 25 LYS HE2 . 30813 1 236 . 1 . 1 25 25 LYS HE3 H 1 2.955 0.001 . 2 . . . . A 25 LYS HE3 . 30813 1 237 . 1 . 1 25 25 LYS CA C 13 59.994 0.000 . 1 . . . . A 25 LYS CA . 30813 1 238 . 1 . 1 25 25 LYS CB C 13 29.715 0.004 . 1 . . . . A 25 LYS CB . 30813 1 239 . 1 . 1 25 25 LYS CG C 13 25.727 0.000 . 1 . . . . A 25 LYS CG . 30813 1 240 . 1 . 1 25 25 LYS CE C 13 42.405 0.000 . 1 . . . . A 25 LYS CE . 30813 1 241 . 1 . 1 25 25 LYS N N 15 106.269 0.000 . 1 . . . . A 25 LYS N . 30813 1 242 . 1 . 1 26 26 VAL H H 1 7.923 0.003 . 1 . . . . A 26 VAL H . 30813 1 243 . 1 . 1 26 26 VAL HA H 1 4.271 0.004 . 1 . . . . A 26 VAL HA . 30813 1 244 . 1 . 1 26 26 VAL HB H 1 1.994 0.001 . 1 . . . . A 26 VAL HB . 30813 1 245 . 1 . 1 26 26 VAL HG11 H 1 0.952 0.002 . . . . . . A 26 VAL HG11 . 30813 1 246 . 1 . 1 26 26 VAL HG12 H 1 0.952 0.002 . . . . . . A 26 VAL HG12 . 30813 1 247 . 1 . 1 26 26 VAL HG13 H 1 0.952 0.002 . . . . . . A 26 VAL HG13 . 30813 1 248 . 1 . 1 26 26 VAL HG21 H 1 0.561 0.003 . . . . . . A 26 VAL HG21 . 30813 1 249 . 1 . 1 26 26 VAL HG22 H 1 0.561 0.003 . . . . . . A 26 VAL HG22 . 30813 1 250 . 1 . 1 26 26 VAL HG23 H 1 0.561 0.003 . . . . . . A 26 VAL HG23 . 30813 1 251 . 1 . 1 26 26 VAL CA C 13 61.974 0.000 . 1 . . . . A 26 VAL CA . 30813 1 252 . 1 . 1 26 26 VAL CB C 13 35.444 0.013 . 1 . . . . A 26 VAL CB . 30813 1 253 . 1 . 1 26 26 VAL CG2 C 13 21.862 0.090 . 2 . . . . A 26 VAL CG2 . 30813 1 254 . 1 . 1 26 26 VAL N N 15 124.527 0.000 . 1 . . . . A 26 VAL N . 30813 1 255 . 1 . 1 27 27 CYS H H 1 7.793 0.001 . 1 . . . . A 27 CYS H . 30813 1 256 . 1 . 1 27 27 CYS HA H 1 5.177 0.003 . 1 . . . . A 27 CYS HA . 30813 1 257 . 1 . 1 27 27 CYS HB2 H 1 2.707 0.004 . 2 . . . . A 27 CYS HB2 . 30813 1 258 . 1 . 1 27 27 CYS HB3 H 1 3.032 0.004 . 2 . . . . A 27 CYS HB3 . 30813 1 259 . 1 . 1 27 27 CYS CA C 13 55.703 0.000 . 1 . . . . A 27 CYS CA . 30813 1 260 . 1 . 1 27 27 CYS CB C 13 43.314 0.004 . 1 . . . . A 27 CYS CB . 30813 1 261 . 1 . 1 27 27 CYS N N 15 122.239 0.000 . 1 . . . . A 27 CYS N . 30813 1 262 . 1 . 1 28 28 TYR H H 1 9.614 0.001 . 1 . . . . A 28 TYR H . 30813 1 263 . 1 . 1 28 28 TYR HA H 1 5.268 0.007 . 1 . . . . A 28 TYR HA . 30813 1 264 . 1 . 1 28 28 TYR HB2 H 1 2.689 0.003 . 2 . . . . A 28 TYR HB2 . 30813 1 265 . 1 . 1 28 28 TYR HB3 H 1 3.013 0.001 . 2 . . . . A 28 TYR HB3 . 30813 1 266 . 1 . 1 28 28 TYR HD1 H 1 6.912 0.000 . 3 . . . . A 28 TYR HD1 . 30813 1 267 . 1 . 1 28 28 TYR HD2 H 1 6.912 0.000 . 3 . . . . A 28 TYR HD2 . 30813 1 268 . 1 . 1 28 28 TYR CA C 13 58.313 0.000 . 1 . . . . A 28 TYR CA . 30813 1 269 . 1 . 1 28 28 TYR CB C 13 44.081 0.002 . 1 . . . . A 28 TYR CB . 30813 1 270 . 1 . 1 28 28 TYR N N 15 126.029 0.000 . 1 . . . . A 28 TYR N . 30813 1 271 . 1 . 1 29 29 ARG H H 1 9.324 0.002 . 1 . . . . A 29 ARG H . 30813 1 272 . 1 . 1 29 29 ARG HA H 1 4.706 0.000 . 1 . . . . A 29 ARG HA . 30813 1 273 . 1 . 1 29 29 ARG HB2 H 1 1.918 0.003 . 2 . . . . A 29 ARG HB2 . 30813 1 274 . 1 . 1 29 29 ARG HB3 H 1 1.916 0.004 . 2 . . . . A 29 ARG HB3 . 30813 1 275 . 1 . 1 29 29 ARG HG2 H 1 1.560 0.003 . 2 . . . . A 29 ARG HG2 . 30813 1 276 . 1 . 1 29 29 ARG HG3 H 1 1.661 0.005 . 2 . . . . A 29 ARG HG3 . 30813 1 277 . 1 . 1 29 29 ARG HD2 H 1 3.066 0.005 . 2 . . . . A 29 ARG HD2 . 30813 1 278 . 1 . 1 29 29 ARG HD3 H 1 3.186 0.002 . 2 . . . . A 29 ARG HD3 . 30813 1 279 . 1 . 1 29 29 ARG HE H 1 7.377 0.001 . 1 . . . . A 29 ARG HE . 30813 1 280 . 1 . 1 29 29 ARG CB C 13 32.072 0.000 . 1 . . . . A 29 ARG CB . 30813 1 281 . 1 . 1 29 29 ARG CG C 13 29.440 0.003 . 1 . . . . A 29 ARG CG . 30813 1 282 . 1 . 1 29 29 ARG CD C 13 43.822 0.000 . 1 . . . . A 29 ARG CD . 30813 1 283 . 1 . 1 29 29 ARG N N 15 126.210 0.000 . 1 . . . . A 29 ARG N . 30813 1 stop_ save_