################################### # 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 30728 _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 NOESY' . . . 30728 1 2 '2D 1H-1H TOCSY' . . . 30728 1 3 '2D 1H-15N HSQC' . . . 30728 1 4 '2D 1H-13C HSQC' . . . 30728 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 MET HA H 1 4.156 0.002 . 1 . . . . A 1 MET HA . 30728 1 2 . 1 . 1 1 1 MET HB2 H 1 2.199 0.003 . 1 . . . . A 1 MET HB2 . 30728 1 3 . 1 . 1 1 1 MET HB3 H 1 2.199 0.003 . 1 . . . . A 1 MET HB3 . 30728 1 4 . 1 . 1 1 1 MET HG2 H 1 2.480 0.021 . 2 . . . . A 1 MET HG2 . 30728 1 5 . 1 . 1 1 1 MET HG3 H 1 2.635 0.006 . 2 . . . . A 1 MET HG3 . 30728 1 6 . 1 . 1 1 1 MET HE1 H 1 2.102 0.006 . 1 . . . . A 1 MET HE1 . 30728 1 7 . 1 . 1 1 1 MET HE2 H 1 2.102 0.006 . 1 . . . . A 1 MET HE2 . 30728 1 8 . 1 . 1 1 1 MET HE3 H 1 2.102 0.006 . 1 . . . . A 1 MET HE3 . 30728 1 9 . 1 . 1 1 1 MET CA C 13 54.700 0.000 . 1 . . . . A 1 MET CA . 30728 1 10 . 1 . 1 1 1 MET CB C 13 33.195 0.000 . 1 . . . . A 1 MET CB . 30728 1 11 . 1 . 1 1 1 MET CG C 13 30.609 0.000 . 1 . . . . A 1 MET CG . 30728 1 12 . 1 . 1 1 1 MET CE C 13 16.785 0.000 . 1 . . . . A 1 MET CE . 30728 1 13 . 1 . 1 2 2 CYS H H 1 9.208 0.004 . 1 . . . . A 2 CYS H . 30728 1 14 . 1 . 1 2 2 CYS HA H 1 4.870 0.005 . 1 . . . . A 2 CYS HA . 30728 1 15 . 1 . 1 2 2 CYS HB2 H 1 2.754 0.002 . 2 . . . . A 2 CYS HB2 . 30728 1 16 . 1 . 1 2 2 CYS HB3 H 1 3.240 0.009 . 2 . . . . A 2 CYS HB3 . 30728 1 17 . 1 . 1 2 2 CYS CB C 13 39.690 0.003 . 1 . . . . A 2 CYS CB . 30728 1 18 . 1 . 1 2 2 CYS N N 15 125.634 0.000 . 1 . . . . A 2 CYS N . 30728 1 19 . 1 . 1 3 3 CYS H H 1 8.830 0.002 . 1 . . . . A 3 CYS H . 30728 1 20 . 1 . 1 3 3 CYS HA H 1 4.640 0.005 . 1 . . . . A 3 CYS HA . 30728 1 21 . 1 . 1 3 3 CYS HB2 H 1 2.849 0.004 . 2 . . . . A 3 CYS HB2 . 30728 1 22 . 1 . 1 3 3 CYS HB3 H 1 3.185 0.015 . 2 . . . . A 3 CYS HB3 . 30728 1 23 . 1 . 1 3 3 CYS CA C 13 54.463 0.000 . 1 . . . . A 3 CYS CA . 30728 1 24 . 1 . 1 3 3 CYS CB C 13 39.114 0.007 . 1 . . . . A 3 CYS CB . 30728 1 25 . 1 . 1 3 3 CYS N N 15 122.346 0.000 . 1 . . . . A 3 CYS N . 30728 1 26 . 1 . 1 4 4 GLY H H 1 8.664 0.005 . 1 . . . . A 4 GLY H . 30728 1 27 . 1 . 1 4 4 GLY HA2 H 1 3.970 0.010 . 2 . . . . A 4 GLY HA2 . 30728 1 28 . 1 . 1 4 4 GLY HA3 H 1 3.888 0.008 . 2 . . . . A 4 GLY HA3 . 30728 1 29 . 1 . 1 4 4 GLY CA C 13 44.938 0.004 . 1 . . . . A 4 GLY CA . 30728 1 30 . 1 . 1 4 4 GLY N N 15 108.970 0.000 . 1 . . . . A 4 GLY N . 30728 1 31 . 1 . 1 5 5 GLU H H 1 8.741 0.004 . 1 . . . . A 5 GLU H . 30728 1 32 . 1 . 1 5 5 GLU HA H 1 4.127 0.003 . 1 . . . . A 5 GLU HA . 30728 1 33 . 1 . 1 5 5 GLU HB2 H 1 2.002 0.003 . 1 . . . . A 5 GLU HB2 . 30728 1 34 . 1 . 1 5 5 GLU HB3 H 1 2.002 0.003 . 1 . . . . A 5 GLU HB3 . 30728 1 35 . 1 . 1 5 5 GLU HG2 H 1 2.342 0.002 . 1 . . . . A 5 GLU HG2 . 30728 1 36 . 1 . 1 5 5 GLU HG3 H 1 2.342 0.002 . 1 . . . . A 5 GLU HG3 . 30728 1 37 . 1 . 1 5 5 GLU CA C 13 57.900 0.000 . 1 . . . . A 5 GLU CA . 30728 1 38 . 1 . 1 5 5 GLU CB C 13 28.998 0.000 . 1 . . . . A 5 GLU CB . 30728 1 39 . 1 . 1 5 5 GLU CG C 13 35.214 0.000 . 1 . . . . A 5 GLU CG . 30728 1 40 . 1 . 1 5 5 GLU N N 15 123.961 0.000 . 1 . . . . A 5 GLU N . 30728 1 41 . 1 . 1 6 6 GLY H H 1 9.052 0.006 . 1 . . . . A 6 GLY H . 30728 1 42 . 1 . 1 6 6 GLY HA2 H 1 3.770 0.009 . 2 . . . . A 6 GLY HA2 . 30728 1 43 . 1 . 1 6 6 GLY HA3 H 1 4.131 0.006 . 2 . . . . A 6 GLY HA3 . 30728 1 44 . 1 . 1 6 6 GLY CA C 13 45.467 0.004 . 1 . . . . A 6 GLY CA . 30728 1 45 . 1 . 1 6 6 GLY N N 15 113.630 0.000 . 1 . . . . A 6 GLY N . 30728 1 46 . 1 . 1 7 7 SER H H 1 7.556 0.003 . 1 . . . . A 7 SER H . 30728 1 47 . 1 . 1 7 7 SER HA H 1 4.577 0.006 . 1 . . . . A 7 SER HA . 30728 1 48 . 1 . 1 7 7 SER HB2 H 1 3.660 0.002 . 1 . . . . A 7 SER HB2 . 30728 1 49 . 1 . 1 7 7 SER HB3 H 1 3.660 0.002 . 1 . . . . A 7 SER HB3 . 30728 1 50 . 1 . 1 7 7 SER CA C 13 57.184 0.000 . 1 . . . . A 7 SER CA . 30728 1 51 . 1 . 1 7 7 SER CB C 13 64.526 0.000 . 1 . . . . A 7 SER CB . 30728 1 52 . 1 . 1 7 7 SER N N 15 114.245 0.000 . 1 . . . . A 7 SER N . 30728 1 53 . 1 . 1 8 8 SER H H 1 8.555 0.005 . 1 . . . . A 8 SER H . 30728 1 54 . 1 . 1 8 8 SER HA H 1 4.419 0.004 . 1 . . . . A 8 SER HA . 30728 1 55 . 1 . 1 8 8 SER HB2 H 1 3.914 0.001 . 1 . . . . A 8 SER HB2 . 30728 1 56 . 1 . 1 8 8 SER HB3 H 1 3.914 0.001 . 1 . . . . A 8 SER HB3 . 30728 1 57 . 1 . 1 8 8 SER CA C 13 59.226 0.000 . 1 . . . . A 8 SER CA . 30728 1 58 . 1 . 1 8 8 SER CB C 13 63.243 0.000 . 1 . . . . A 8 SER CB . 30728 1 59 . 1 . 1 8 8 SER N N 15 120.914 0.000 . 1 . . . . A 8 SER N . 30728 1 60 . 1 . 1 9 9 CYS H H 1 8.436 0.005 . 1 . . . . A 9 CYS H . 30728 1 61 . 1 . 1 9 9 CYS HA H 1 4.689 0.006 . 1 . . . . A 9 CYS HA . 30728 1 62 . 1 . 1 9 9 CYS HB2 H 1 2.518 0.006 . 2 . . . . A 9 CYS HB2 . 30728 1 63 . 1 . 1 9 9 CYS HB3 H 1 3.097 0.006 . 2 . . . . A 9 CYS HB3 . 30728 1 64 . 1 . 1 9 9 CYS CA C 13 52.923 0.000 . 1 . . . . A 9 CYS CA . 30728 1 65 . 1 . 1 9 9 CYS CB C 13 46.900 0.017 . 1 . . . . A 9 CYS CB . 30728 1 66 . 1 . 1 9 9 CYS N N 15 116.303 0.000 . 1 . . . . A 9 CYS N . 30728 1 67 . 1 . 1 10 10 PRO HA H 1 4.527 0.003 . 1 . . . . A 10 PRO HA . 30728 1 68 . 1 . 1 10 10 PRO HB2 H 1 2.093 0.007 . 2 . . . . A 10 PRO HB2 . 30728 1 69 . 1 . 1 10 10 PRO HB3 H 1 2.740 0.011 . 2 . . . . A 10 PRO HB3 . 30728 1 70 . 1 . 1 10 10 PRO HG2 H 1 2.205 0.003 . 2 . . . . A 10 PRO HG2 . 30728 1 71 . 1 . 1 10 10 PRO HG3 H 1 1.989 0.004 . 2 . . . . A 10 PRO HG3 . 30728 1 72 . 1 . 1 10 10 PRO HD2 H 1 3.605 0.004 . 2 . . . . A 10 PRO HD2 . 30728 1 73 . 1 . 1 10 10 PRO HD3 H 1 3.850 0.013 . 2 . . . . A 10 PRO HD3 . 30728 1 74 . 1 . 1 10 10 PRO CA C 13 62.957 0.000 . 1 . . . . A 10 PRO CA . 30728 1 75 . 1 . 1 10 10 PRO CB C 13 36.205 0.005 . 1 . . . . A 10 PRO CB . 30728 1 76 . 1 . 1 10 10 PRO CG C 13 24.777 0.005 . 1 . . . . A 10 PRO CG . 30728 1 77 . 1 . 1 10 10 PRO CD C 13 50.344 0.005 . 1 . . . . A 10 PRO CD . 30728 1 78 . 1 . 1 11 11 LYS H H 1 7.733 0.003 . 1 . . . . A 11 LYS H . 30728 1 79 . 1 . 1 11 11 LYS HA H 1 4.849 0.005 . 1 . . . . A 11 LYS HA . 30728 1 80 . 1 . 1 11 11 LYS HB2 H 1 1.812 0.021 . 2 . . . . A 11 LYS HB2 . 30728 1 81 . 1 . 1 11 11 LYS HB3 H 1 1.857 0.003 . 2 . . . . A 11 LYS HB3 . 30728 1 82 . 1 . 1 11 11 LYS HG2 H 1 1.316 0.004 . 2 . . . . A 11 LYS HG2 . 30728 1 83 . 1 . 1 11 11 LYS HG3 H 1 1.460 0.005 . 2 . . . . A 11 LYS HG3 . 30728 1 84 . 1 . 1 11 11 LYS HD2 H 1 1.644 0.009 . 1 . . . . A 11 LYS HD2 . 30728 1 85 . 1 . 1 11 11 LYS HD3 H 1 1.644 0.009 . 1 . . . . A 11 LYS HD3 . 30728 1 86 . 1 . 1 11 11 LYS HE2 H 1 2.937 0.003 . 2 . . . . A 11 LYS HE2 . 30728 1 87 . 1 . 1 11 11 LYS HE3 H 1 2.982 0.003 . 2 . . . . A 11 LYS HE3 . 30728 1 88 . 1 . 1 11 11 LYS HZ1 H 1 7.491 0.002 . 1 . . . . A 11 LYS HZ1 . 30728 1 89 . 1 . 1 11 11 LYS HZ2 H 1 7.491 0.002 . 1 . . . . A 11 LYS HZ2 . 30728 1 90 . 1 . 1 11 11 LYS HZ3 H 1 7.491 0.002 . 1 . . . . A 11 LYS HZ3 . 30728 1 91 . 1 . 1 11 11 LYS CB C 13 36.398 0.007 . 1 . . . . A 11 LYS CB . 30728 1 92 . 1 . 1 11 11 LYS CG C 13 25.370 0.014 . 1 . . . . A 11 LYS CG . 30728 1 93 . 1 . 1 11 11 LYS CD C 13 29.226 0.000 . 1 . . . . A 11 LYS CD . 30728 1 94 . 1 . 1 11 11 LYS CE C 13 42.357 0.006 . 1 . . . . A 11 LYS CE . 30728 1 95 . 1 . 1 11 11 LYS N N 15 117.355 0.000 . 1 . . . . A 11 LYS N . 30728 1 96 . 1 . 1 12 12 TYR H H 1 9.017 0.006 . 1 . . . . A 12 TYR H . 30728 1 97 . 1 . 1 12 12 TYR HA H 1 5.189 0.003 . 1 . . . . A 12 TYR HA . 30728 1 98 . 1 . 1 12 12 TYR HB2 H 1 2.826 0.015 . 2 . . . . A 12 TYR HB2 . 30728 1 99 . 1 . 1 12 12 TYR HB3 H 1 2.854 0.011 . 2 . . . . A 12 TYR HB3 . 30728 1 100 . 1 . 1 12 12 TYR HD1 H 1 6.899 0.011 . 1 . . . . A 12 TYR HD1 . 30728 1 101 . 1 . 1 12 12 TYR HD2 H 1 6.899 0.011 . 1 . . . . A 12 TYR HD2 . 30728 1 102 . 1 . 1 12 12 TYR HE1 H 1 6.814 0.003 . 1 . . . . A 12 TYR HE1 . 30728 1 103 . 1 . 1 12 12 TYR HE2 H 1 6.814 0.003 . 1 . . . . A 12 TYR HE2 . 30728 1 104 . 1 . 1 12 12 TYR CA C 13 57.299 0.000 . 1 . . . . A 12 TYR CA . 30728 1 105 . 1 . 1 12 12 TYR CB C 13 42.656 0.010 . 1 . . . . A 12 TYR CB . 30728 1 106 . 1 . 1 12 12 TYR CD1 C 13 133.076 0.000 . 1 . . . . A 12 TYR CD1 . 30728 1 107 . 1 . 1 12 12 TYR CD2 C 13 133.076 0.000 . 1 . . . . A 12 TYR CD2 . 30728 1 108 . 1 . 1 12 12 TYR CE1 C 13 117.931 0.000 . 1 . . . . A 12 TYR CE1 . 30728 1 109 . 1 . 1 12 12 TYR CE2 C 13 117.931 0.000 . 1 . . . . A 12 TYR CE2 . 30728 1 110 . 1 . 1 12 12 TYR N N 15 121.813 0.000 . 1 . . . . A 12 TYR N . 30728 1 111 . 1 . 1 13 13 PHE H H 1 9.050 0.012 . 1 . . . . A 13 PHE H . 30728 1 112 . 1 . 1 13 13 PHE HA H 1 4.816 0.006 . 1 . . . . A 13 PHE HA . 30728 1 113 . 1 . 1 13 13 PHE HB2 H 1 2.919 0.008 . 2 . . . . A 13 PHE HB2 . 30728 1 114 . 1 . 1 13 13 PHE HB3 H 1 3.104 0.005 . 2 . . . . A 13 PHE HB3 . 30728 1 115 . 1 . 1 13 13 PHE HD1 H 1 7.333 0.003 . 1 . . . . A 13 PHE HD1 . 30728 1 116 . 1 . 1 13 13 PHE HD2 H 1 7.333 0.003 . 1 . . . . A 13 PHE HD2 . 30728 1 117 . 1 . 1 13 13 PHE HE1 H 1 7.388 0.003 . 1 . . . . A 13 PHE HE1 . 30728 1 118 . 1 . 1 13 13 PHE HE2 H 1 7.388 0.003 . 1 . . . . A 13 PHE HE2 . 30728 1 119 . 1 . 1 13 13 PHE HZ H 1 7.315 0.003 . 1 . . . . A 13 PHE HZ . 30728 1 120 . 1 . 1 13 13 PHE CB C 13 41.431 0.004 . 1 . . . . A 13 PHE CB . 30728 1 121 . 1 . 1 13 13 PHE CD1 C 13 131.838 0.000 . 1 . . . . A 13 PHE CD1 . 30728 1 122 . 1 . 1 13 13 PHE CD2 C 13 131.838 0.000 . 1 . . . . A 13 PHE CD2 . 30728 1 123 . 1 . 1 13 13 PHE CE1 C 13 131.570 0.000 . 1 . . . . A 13 PHE CE1 . 30728 1 124 . 1 . 1 13 13 PHE CE2 C 13 131.570 0.000 . 1 . . . . A 13 PHE CE2 . 30728 1 125 . 1 . 1 13 13 PHE CZ C 13 129.965 0.000 . 1 . . . . A 13 PHE CZ . 30728 1 126 . 1 . 1 13 13 PHE N N 15 121.687 0.000 . 1 . . . . A 13 PHE N . 30728 1 127 . 1 . 1 14 14 ARG H H 1 9.119 0.010 . 1 . . . . A 14 ARG H . 30728 1 128 . 1 . 1 14 14 ARG HA H 1 3.593 0.003 . 1 . . . . A 14 ARG HA . 30728 1 129 . 1 . 1 14 14 ARG HB2 H 1 1.601 0.005 . 2 . . . . A 14 ARG HB2 . 30728 1 130 . 1 . 1 14 14 ARG HB3 H 1 1.717 0.005 . 2 . . . . A 14 ARG HB3 . 30728 1 131 . 1 . 1 14 14 ARG HG2 H 1 0.642 0.008 . 2 . . . . A 14 ARG HG2 . 30728 1 132 . 1 . 1 14 14 ARG HG3 H 1 1.096 0.003 . 2 . . . . A 14 ARG HG3 . 30728 1 133 . 1 . 1 14 14 ARG HD2 H 1 2.942 0.007 . 1 . . . . A 14 ARG HD2 . 30728 1 134 . 1 . 1 14 14 ARG HD3 H 1 2.942 0.007 . 1 . . . . A 14 ARG HD3 . 30728 1 135 . 1 . 1 14 14 ARG HE H 1 6.981 0.003 . 1 . . . . A 14 ARG HE . 30728 1 136 . 1 . 1 14 14 ARG CA C 13 57.862 0.000 . 1 . . . . A 14 ARG CA . 30728 1 137 . 1 . 1 14 14 ARG CB C 13 27.483 0.000 . 1 . . . . A 14 ARG CB . 30728 1 138 . 1 . 1 14 14 ARG CG C 13 27.006 0.008 . 1 . . . . A 14 ARG CG . 30728 1 139 . 1 . 1 14 14 ARG CD C 13 43.512 0.000 . 1 . . . . A 14 ARG CD . 30728 1 140 . 1 . 1 14 14 ARG NE N 15 85.401 0.000 . 1 . . . . A 14 ARG NE . 30728 1 141 . 1 . 1 15 15 ASN H H 1 8.625 0.004 . 1 . . . . A 15 ASN H . 30728 1 142 . 1 . 1 15 15 ASN HA H 1 4.521 0.004 . 1 . . . . A 15 ASN HA . 30728 1 143 . 1 . 1 15 15 ASN HB2 H 1 2.940 0.007 . 2 . . . . A 15 ASN HB2 . 30728 1 144 . 1 . 1 15 15 ASN HB3 H 1 3.012 0.003 . 2 . . . . A 15 ASN HB3 . 30728 1 145 . 1 . 1 15 15 ASN HD21 H 1 6.894 0.003 . 1 . . . . A 15 ASN HD21 . 30728 1 146 . 1 . 1 15 15 ASN HD22 H 1 7.566 0.004 . 1 . . . . A 15 ASN HD22 . 30728 1 147 . 1 . 1 15 15 ASN CA C 13 54.327 0.000 . 1 . . . . A 15 ASN CA . 30728 1 148 . 1 . 1 15 15 ASN CB C 13 38.006 0.000 . 1 . . . . A 15 ASN CB . 30728 1 149 . 1 . 1 15 15 ASN N N 15 113.983 0.000 . 1 . . . . A 15 ASN N . 30728 1 150 . 1 . 1 15 15 ASN ND2 N 15 112.953 0.002 . 1 . . . . A 15 ASN ND2 . 30728 1 151 . 1 . 1 16 16 SER H H 1 8.180 0.004 . 1 . . . . A 16 SER H . 30728 1 152 . 1 . 1 16 16 SER HA H 1 4.821 0.006 . 1 . . . . A 16 SER HA . 30728 1 153 . 1 . 1 16 16 SER HB2 H 1 3.915 0.010 . 2 . . . . A 16 SER HB2 . 30728 1 154 . 1 . 1 16 16 SER HB3 H 1 3.938 0.018 . 2 . . . . A 16 SER HB3 . 30728 1 155 . 1 . 1 16 16 SER CB C 13 64.706 0.000 . 1 . . . . A 16 SER CB . 30728 1 156 . 1 . 1 16 16 SER N N 15 115.352 0.000 . 1 . . . . A 16 SER N . 30728 1 157 . 1 . 1 17 17 GLN H H 1 9.057 0.010 . 1 . . . . A 17 GLN H . 30728 1 158 . 1 . 1 17 17 GLN HA H 1 3.886 0.012 . 1 . . . . A 17 GLN HA . 30728 1 159 . 1 . 1 17 17 GLN HB2 H 1 1.847 0.004 . 2 . . . . A 17 GLN HB2 . 30728 1 160 . 1 . 1 17 17 GLN HB3 H 1 2.004 0.008 . 2 . . . . A 17 GLN HB3 . 30728 1 161 . 1 . 1 17 17 GLN HG2 H 1 1.768 0.019 . 2 . . . . A 17 GLN HG2 . 30728 1 162 . 1 . 1 17 17 GLN HG3 H 1 1.820 0.014 . 2 . . . . A 17 GLN HG3 . 30728 1 163 . 1 . 1 17 17 GLN HE21 H 1 6.924 0.004 . 1 . . . . A 17 GLN HE21 . 30728 1 164 . 1 . 1 17 17 GLN HE22 H 1 7.232 0.005 . 1 . . . . A 17 GLN HE22 . 30728 1 165 . 1 . 1 17 17 GLN CA C 13 56.653 0.000 . 1 . . . . A 17 GLN CA . 30728 1 166 . 1 . 1 17 17 GLN CB C 13 29.939 0.008 . 1 . . . . A 17 GLN CB . 30728 1 167 . 1 . 1 17 17 GLN CG C 13 35.813 0.002 . 1 . . . . A 17 GLN CG . 30728 1 168 . 1 . 1 17 17 GLN NE2 N 15 110.550 0.003 . 1 . . . . A 17 GLN NE2 . 30728 1 169 . 1 . 1 18 18 ILE H H 1 8.851 0.005 . 1 . . . . A 18 ILE H . 30728 1 170 . 1 . 1 18 18 ILE HA H 1 4.209 0.004 . 1 . . . . A 18 ILE HA . 30728 1 171 . 1 . 1 18 18 ILE HB H 1 1.729 0.005 . 1 . . . . A 18 ILE HB . 30728 1 172 . 1 . 1 18 18 ILE HG12 H 1 0.976 0.005 . 2 . . . . A 18 ILE HG12 . 30728 1 173 . 1 . 1 18 18 ILE HG13 H 1 1.316 0.004 . 2 . . . . A 18 ILE HG13 . 30728 1 174 . 1 . 1 18 18 ILE HG21 H 1 0.856 0.003 . 1 . . . . A 18 ILE HG21 . 30728 1 175 . 1 . 1 18 18 ILE HG22 H 1 0.856 0.003 . 1 . . . . A 18 ILE HG22 . 30728 1 176 . 1 . 1 18 18 ILE HG23 H 1 0.856 0.003 . 1 . . . . A 18 ILE HG23 . 30728 1 177 . 1 . 1 18 18 ILE HD11 H 1 0.767 0.006 . 1 . . . . A 18 ILE HD11 . 30728 1 178 . 1 . 1 18 18 ILE HD12 H 1 0.767 0.006 . 1 . . . . A 18 ILE HD12 . 30728 1 179 . 1 . 1 18 18 ILE HD13 H 1 0.767 0.006 . 1 . . . . A 18 ILE HD13 . 30728 1 180 . 1 . 1 18 18 ILE CA C 13 61.874 0.000 . 1 . . . . A 18 ILE CA . 30728 1 181 . 1 . 1 18 18 ILE CB C 13 38.905 0.000 . 1 . . . . A 18 ILE CB . 30728 1 182 . 1 . 1 18 18 ILE CG1 C 13 27.275 0.005 . 1 . . . . A 18 ILE CG1 . 30728 1 183 . 1 . 1 18 18 ILE CG2 C 13 17.911 0.000 . 1 . . . . A 18 ILE CG2 . 30728 1 184 . 1 . 1 18 18 ILE CD1 C 13 12.878 0.000 . 1 . . . . A 18 ILE CD1 . 30728 1 185 . 1 . 1 19 19 CYS H H 1 7.625 0.004 . 1 . . . . A 19 CYS H . 30728 1 186 . 1 . 1 19 19 CYS HA H 1 4.958 0.002 . 1 . . . . A 19 CYS HA . 30728 1 187 . 1 . 1 19 19 CYS HB2 H 1 2.852 0.010 . 2 . . . . A 19 CYS HB2 . 30728 1 188 . 1 . 1 19 19 CYS HB3 H 1 3.187 0.007 . 2 . . . . A 19 CYS HB3 . 30728 1 189 . 1 . 1 19 19 CYS CA C 13 54.470 0.000 . 1 . . . . A 19 CYS CA . 30728 1 190 . 1 . 1 19 19 CYS CB C 13 43.088 0.007 . 1 . . . . A 19 CYS CB . 30728 1 191 . 1 . 1 20 20 HIS H H 1 8.376 0.004 . 1 . . . . A 20 HIS H . 30728 1 192 . 1 . 1 20 20 HIS HA H 1 5.109 0.011 . 1 . . . . A 20 HIS HA . 30728 1 193 . 1 . 1 20 20 HIS HB2 H 1 3.257 0.007 . 2 . . . . A 20 HIS HB2 . 30728 1 194 . 1 . 1 20 20 HIS HB3 H 1 3.512 0.007 . 2 . . . . A 20 HIS HB3 . 30728 1 195 . 1 . 1 20 20 HIS HD2 H 1 7.321 0.003 . 1 . . . . A 20 HIS HD2 . 30728 1 196 . 1 . 1 20 20 HIS HE1 H 1 8.548 0.006 . 1 . . . . A 20 HIS HE1 . 30728 1 197 . 1 . 1 20 20 HIS CA C 13 52.521 0.000 . 1 . . . . A 20 HIS CA . 30728 1 198 . 1 . 1 20 20 HIS CB C 13 31.065 0.008 . 1 . . . . A 20 HIS CB . 30728 1 199 . 1 . 1 20 20 HIS CD2 C 13 122.118 0.000 . 1 . . . . A 20 HIS CD2 . 30728 1 200 . 1 . 1 20 20 HIS CE1 C 13 137.233 0.000 . 1 . . . . A 20 HIS CE1 . 30728 1 201 . 1 . 1 20 20 HIS N N 15 116.332 0.000 . 1 . . . . A 20 HIS N . 30728 1 202 . 1 . 1 21 21 CYS H H 1 9.283 0.005 . 1 . . . . A 21 CYS H . 30728 1 203 . 1 . 1 21 21 CYS HA H 1 4.753 0.011 . 1 . . . . A 21 CYS HA . 30728 1 204 . 1 . 1 21 21 CYS HB2 H 1 2.804 0.005 . 2 . . . . A 21 CYS HB2 . 30728 1 205 . 1 . 1 21 21 CYS HB3 H 1 3.318 0.006 . 2 . . . . A 21 CYS HB3 . 30728 1 206 . 1 . 1 21 21 CYS CA C 13 53.839 0.000 . 1 . . . . A 21 CYS CA . 30728 1 207 . 1 . 1 21 21 CYS CB C 13 39.867 0.000 . 1 . . . . A 21 CYS CB . 30728 1 208 . 1 . 1 21 21 CYS N N 15 119.727 0.000 . 1 . . . . A 21 CYS N . 30728 1 209 . 1 . 1 22 22 CYS H H 1 9.256 0.006 . 1 . . . . A 22 CYS H . 30728 1 210 . 1 . 1 22 22 CYS HA H 1 4.750 0.010 . 1 . . . . A 22 CYS HA . 30728 1 211 . 1 . 1 22 22 CYS HB2 H 1 3.169 0.014 . 2 . . . . A 22 CYS HB2 . 30728 1 212 . 1 . 1 22 22 CYS HB3 H 1 3.625 0.004 . 2 . . . . A 22 CYS HB3 . 30728 1 213 . 1 . 1 22 22 CYS CA C 13 54.841 0.000 . 1 . . . . A 22 CYS CA . 30728 1 214 . 1 . 1 22 22 CYS CB C 13 44.202 0.003 . 1 . . . . A 22 CYS CB . 30728 1 215 . 1 . 1 22 22 CYS N N 15 123.463 0.000 . 1 . . . . A 22 CYS N . 30728 1 216 . 1 . 1 23 23 NH2 N N 15 108.036 0.000 . 1 . . . . A 23 NH2 N . 30728 1 217 . 1 . 1 23 23 NH2 HN1 H 1 7.246 0.002 . 1 . . . . A 23 NH2 HN1 . 30728 1 218 . 1 . 1 23 23 NH2 HN2 H 1 7.701 0.001 . 1 . . . . A 23 NH2 HN2 . 30728 1 stop_ save_