################################### # 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 30142 _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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' . . . 30142 1 2 '2D 1H-1H NOESY' . . . 30142 1 3 '2D 1H-1H NOESY' . . . 30142 1 4 '2D 1H-15N HSQC' . . . 30142 1 5 '2D 1H-13C HSQC' . . . 30142 1 6 '2D ECOSY' . . . 30142 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.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 CYS HA H 1 4.387 0.001 . 1 . . . A 1 CYS HA . 30142 1 2 . 1 1 1 1 CYS HB2 H 1 3.013 0.009 . 2 . . . A 1 CYS HB2 . 30142 1 3 . 1 1 1 1 CYS HB3 H 1 3.467 0.008 . 2 . . . A 1 CYS HB3 . 30142 1 4 . 1 1 1 1 CYS CA C 13 57.051 0.000 . 1 . . . A 1 CYS CA . 30142 1 5 . 1 1 1 1 CYS CB C 13 45.821 0.010 . 1 . . . A 1 CYS CB . 30142 1 6 . 1 1 2 2 SER H H 1 9.204 0.003 . 1 . . . A 2 SER H . 30142 1 7 . 1 1 2 2 SER HA H 1 5.705 0.002 . 1 . . . A 2 SER HA . 30142 1 8 . 1 1 2 2 SER HB2 H 1 3.697 0.006 . 2 . . . A 2 SER HB2 . 30142 1 9 . 1 1 2 2 SER HB3 H 1 3.770 0.005 . 2 . . . A 2 SER HB3 . 30142 1 10 . 1 1 2 2 SER CA C 13 57.579 0.000 . 1 . . . A 2 SER CA . 30142 1 11 . 1 1 2 2 SER CB C 13 66.129 0.006 . 1 . . . A 2 SER CB . 30142 1 12 . 1 1 2 2 SER N N 15 122.444 0.000 . 1 . . . A 2 SER N . 30142 1 13 . 1 1 3 3 TYR H H 1 8.931 0.001 . 1 . . . A 3 TYR H . 30142 1 14 . 1 1 3 3 TYR HA H 1 4.973 0.002 . 1 . . . A 3 TYR HA . 30142 1 15 . 1 1 3 3 TYR HB2 H 1 3.106 0.001 . 1 . . . A 3 TYR HB2 . 30142 1 16 . 1 1 3 3 TYR HB3 H 1 3.106 0.001 . 1 . . . A 3 TYR HB3 . 30142 1 17 . 1 1 3 3 TYR HD1 H 1 6.974 0.002 . 3 . . . A 3 TYR HD1 . 30142 1 18 . 1 1 3 3 TYR HD2 H 1 6.974 0.002 . 3 . . . A 3 TYR HD2 . 30142 1 19 . 1 1 3 3 TYR HE1 H 1 6.704 0.003 . 3 . . . A 3 TYR HE1 . 30142 1 20 . 1 1 3 3 TYR HE2 H 1 6.704 0.003 . 3 . . . A 3 TYR HE2 . 30142 1 21 . 1 1 3 3 TYR CA C 13 57.048 0.000 . 1 . . . A 3 TYR CA . 30142 1 22 . 1 1 3 3 TYR CB C 13 41.363 0.000 . 1 . . . A 3 TYR CB . 30142 1 23 . 1 1 3 3 TYR N N 15 120.544 0.000 . 1 . . . A 3 TYR N . 30142 1 24 . 1 1 4 4 THR H H 1 8.567 0.001 . 1 . . . A 4 THR H . 30142 1 25 . 1 1 4 4 THR HA H 1 5.048 0.002 . 1 . . . A 4 THR HA . 30142 1 26 . 1 1 4 4 THR HB H 1 4.004 0.002 . 1 . . . A 4 THR HB . 30142 1 27 . 1 1 4 4 THR HG21 H 1 1.147 0.002 . 1 . . . A 4 THR HG21 . 30142 1 28 . 1 1 4 4 THR HG22 H 1 1.147 0.002 . 1 . . . A 4 THR HG22 . 30142 1 29 . 1 1 4 4 THR HG23 H 1 1.147 0.002 . 1 . . . A 4 THR HG23 . 30142 1 30 . 1 1 4 4 THR CA C 13 61.107 0.000 . 1 . . . A 4 THR CA . 30142 1 31 . 1 1 4 4 THR CB C 13 71.096 0.000 . 1 . . . A 4 THR CB . 30142 1 32 . 1 1 4 4 THR CG2 C 13 22.017 0.000 . 1 . . . A 4 THR CG2 . 30142 1 33 . 1 1 4 4 THR N N 15 117.104 0.000 . 1 . . . A 4 THR N . 30142 1 34 . 1 1 5 5 CYS H H 1 8.959 0.003 . 1 . . . A 5 CYS H . 30142 1 35 . 1 1 5 5 CYS HA H 1 5.324 0.002 . 1 . . . A 5 CYS HA . 30142 1 36 . 1 1 5 5 CYS HB2 H 1 3.007 0.006 . 2 . . . A 5 CYS HB2 . 30142 1 37 . 1 1 5 5 CYS HB3 H 1 3.352 0.004 . 2 . . . A 5 CYS HB3 . 30142 1 38 . 1 1 5 5 CYS CA C 13 51.875 0.000 . 1 . . . A 5 CYS CA . 30142 1 39 . 1 1 5 5 CYS CB C 13 41.739 0.007 . 1 . . . A 5 CYS CB . 30142 1 40 . 1 1 5 5 CYS N N 15 123.757 0.000 . 1 . . . A 5 CYS N . 30142 1 41 . 1 1 6 6 DPR CA C 13 57.943 0.000 . 1 . . . A 6 DPR CA . 30142 1 42 . 1 1 6 6 DPR CB C 13 30.513 0.000 . 1 . . . A 6 DPR CB . 30142 1 43 . 1 1 6 6 DPR CD C 13 51.081 0.001 . 1 . . . A 6 DPR CD . 30142 1 44 . 1 1 6 6 DPR CG C 13 27.800 0.023 . 1 . . . A 6 DPR CG . 30142 1 45 . 1 1 6 6 DPR HA H 1 3.943 0.002 . 1 . . . A 6 DPR HA . 30142 1 46 . 1 1 6 6 DPR HB2 H 1 2.321 0.002 . 2 . . . A 6 DPR HB2 . 30142 1 47 . 1 1 6 6 DPR HB3 H 1 1.936 0.011 . 2 . . . A 6 DPR HB3 . 30142 1 48 . 1 1 6 6 DPR HD2 H 1 3.942 0.002 . 2 . . . A 6 DPR HD2 . 30142 1 49 . 1 1 6 6 DPR HD3 H 1 3.642 0.002 . 2 . . . A 6 DPR HD3 . 30142 1 50 . 1 1 6 6 DPR HG2 H 1 2.174 0.006 . 2 . . . A 6 DPR HG2 . 30142 1 51 . 1 1 6 6 DPR HG3 H 1 2.040 0.017 . 2 . . . A 6 DPR HG3 . 30142 1 52 . 1 1 7 7 PRO HA H 1 4.494 0.002 . 1 . . . A 7 PRO HA . 30142 1 53 . 1 1 7 7 PRO HB2 H 1 2.104 0.006 . 2 . . . A 7 PRO HB2 . 30142 1 54 . 1 1 7 7 PRO HB3 H 1 2.240 0.003 . 2 . . . A 7 PRO HB3 . 30142 1 55 . 1 1 7 7 PRO HG2 H 1 1.944 0.001 . 2 . . . A 7 PRO HG2 . 30142 1 56 . 1 1 7 7 PRO HG3 H 1 2.087 0.011 . 2 . . . A 7 PRO HG3 . 30142 1 57 . 1 1 7 7 PRO HD2 H 1 3.755 0.005 . 2 . . . A 7 PRO HD2 . 30142 1 58 . 1 1 7 7 PRO HD3 H 1 4.012 0.001 . 2 . . . A 7 PRO HD3 . 30142 1 59 . 1 1 7 7 PRO CA C 13 63.590 0.000 . 1 . . . A 7 PRO CA . 30142 1 60 . 1 1 7 7 PRO CB C 13 32.317 0.004 . 1 . . . A 7 PRO CB . 30142 1 61 . 1 1 7 7 PRO CG C 13 26.438 0.003 . 1 . . . A 7 PRO CG . 30142 1 62 . 1 1 7 7 PRO CD C 13 50.506 0.012 . 1 . . . A 7 PRO CD . 30142 1 63 . 1 1 8 8 GLN H H 1 7.639 0.004 . 1 . . . A 8 GLN H . 30142 1 64 . 1 1 8 8 GLN HA H 1 4.448 0.004 . 1 . . . A 8 GLN HA . 30142 1 65 . 1 1 8 8 GLN HB2 H 1 1.752 0.010 . 2 . . . A 8 GLN HB2 . 30142 1 66 . 1 1 8 8 GLN HB3 H 1 1.949 0.004 . 2 . . . A 8 GLN HB3 . 30142 1 67 . 1 1 8 8 GLN HG2 H 1 2.067 0.002 . 2 . . . A 8 GLN HG2 . 30142 1 68 . 1 1 8 8 GLN HG3 H 1 2.128 0.002 . 2 . . . A 8 GLN HG3 . 30142 1 69 . 1 1 8 8 GLN CA C 13 55.004 0.000 . 1 . . . A 8 GLN CA . 30142 1 70 . 1 1 8 8 GLN CG C 13 33.807 0.010 . 1 . . . A 8 GLN CG . 30142 1 71 . 1 1 8 8 GLN N N 15 120.191 0.000 . 1 . . . A 8 GLN N . 30142 1 72 . 1 1 9 9 THR H H 1 8.315 0.002 . 1 . . . A 9 THR H . 30142 1 73 . 1 1 9 9 THR HA H 1 4.655 0.003 . 1 . . . A 9 THR HA . 30142 1 74 . 1 1 9 9 THR HB H 1 3.745 0.005 . 1 . . . A 9 THR HB . 30142 1 75 . 1 1 9 9 THR HG21 H 1 0.988 0.002 . 1 . . . A 9 THR HG21 . 30142 1 76 . 1 1 9 9 THR HG22 H 1 0.988 0.002 . 1 . . . A 9 THR HG22 . 30142 1 77 . 1 1 9 9 THR HG23 H 1 0.988 0.002 . 1 . . . A 9 THR HG23 . 30142 1 78 . 1 1 9 9 THR CA C 13 61.987 0.000 . 1 . . . A 9 THR CA . 30142 1 79 . 1 1 9 9 THR CB C 13 70.207 0.000 . 1 . . . A 9 THR CB . 30142 1 80 . 1 1 9 9 THR CG2 C 13 21.255 0.000 . 1 . . . A 9 THR CG2 . 30142 1 81 . 1 1 9 9 THR N N 15 119.726 0.000 . 1 . . . A 9 THR N . 30142 1 82 . 1 1 10 10 TYR H H 1 8.944 0.002 . 1 . . . A 10 TYR H . 30142 1 83 . 1 1 10 10 TYR HA H 1 4.539 0.004 . 1 . . . A 10 TYR HA . 30142 1 84 . 1 1 10 10 TYR HB2 H 1 2.189 0.001 . 2 . . . A 10 TYR HB2 . 30142 1 85 . 1 1 10 10 TYR HB3 H 1 2.721 0.002 . 2 . . . A 10 TYR HB3 . 30142 1 86 . 1 1 10 10 TYR HD1 H 1 6.952 0.006 . 3 . . . A 10 TYR HD1 . 30142 1 87 . 1 1 10 10 TYR HD2 H 1 6.952 0.006 . 3 . . . A 10 TYR HD2 . 30142 1 88 . 1 1 10 10 TYR HE1 H 1 6.711 0.005 . 3 . . . A 10 TYR HE1 . 30142 1 89 . 1 1 10 10 TYR HE2 H 1 6.711 0.005 . 3 . . . A 10 TYR HE2 . 30142 1 90 . 1 1 10 10 TYR CA C 13 56.729 0.000 . 1 . . . A 10 TYR CA . 30142 1 91 . 1 1 10 10 TYR CB C 13 40.943 0.017 . 1 . . . A 10 TYR CB . 30142 1 92 . 1 1 10 10 TYR N N 15 127.171 0.000 . 1 . . . A 10 TYR N . 30142 1 93 . 1 1 11 11 THR H H 1 8.212 0.001 . 1 . . . A 11 THR H . 30142 1 94 . 1 1 11 11 THR HA H 1 4.880 0.006 . 1 . . . A 11 THR HA . 30142 1 95 . 1 1 11 11 THR HB H 1 3.807 0.005 . 1 . . . A 11 THR HB . 30142 1 96 . 1 1 11 11 THR HG21 H 1 1.041 0.002 . 1 . . . A 11 THR HG21 . 30142 1 97 . 1 1 11 11 THR HG22 H 1 1.041 0.002 . 1 . . . A 11 THR HG22 . 30142 1 98 . 1 1 11 11 THR HG23 H 1 1.041 0.002 . 1 . . . A 11 THR HG23 . 30142 1 99 . 1 1 11 11 THR CA C 13 61.102 0.000 . 1 . . . A 11 THR CA . 30142 1 100 . 1 1 11 11 THR CB C 13 70.622 0.000 . 1 . . . A 11 THR CB . 30142 1 101 . 1 1 11 11 THR CG2 C 13 21.322 0.000 . 1 . . . A 11 THR CG2 . 30142 1 102 . 1 1 11 11 THR N N 15 116.230 0.000 . 1 . . . A 11 THR N . 30142 1 103 . 1 1 12 12 PHE H H 1 8.631 0.003 . 1 . . . A 12 PHE H . 30142 1 104 . 1 1 12 12 PHE HA H 1 5.031 0.003 . 1 . . . A 12 PHE HA . 30142 1 105 . 1 1 12 12 PHE HB2 H 1 2.716 0.003 . 2 . . . A 12 PHE HB2 . 30142 1 106 . 1 1 12 12 PHE HB3 H 1 3.287 0.006 . 2 . . . A 12 PHE HB3 . 30142 1 107 . 1 1 12 12 PHE HD1 H 1 7.232 0.006 . 3 . . . A 12 PHE HD1 . 30142 1 108 . 1 1 12 12 PHE HD2 H 1 7.232 0.006 . 3 . . . A 12 PHE HD2 . 30142 1 109 . 1 1 12 12 PHE HE1 H 1 7.304 0.002 . 3 . . . A 12 PHE HE1 . 30142 1 110 . 1 1 12 12 PHE HE2 H 1 7.304 0.002 . 3 . . . A 12 PHE HE2 . 30142 1 111 . 1 1 12 12 PHE CA C 13 55.419 0.000 . 1 . . . A 12 PHE CA . 30142 1 112 . 1 1 12 12 PHE CB C 13 42.487 0.005 . 1 . . . A 12 PHE CB . 30142 1 113 . 1 1 12 12 PHE N N 15 122.624 0.000 . 1 . . . A 12 PHE N . 30142 1 114 . 1 1 13 13 PRO HA H 1 4.390 0.003 . 1 . . . A 13 PRO HA . 30142 1 115 . 1 1 13 13 PRO HB2 H 1 2.164 0.001 . 2 . . . A 13 PRO HB2 . 30142 1 116 . 1 1 13 13 PRO HB3 H 1 2.502 0.003 . 2 . . . A 13 PRO HB3 . 30142 1 117 . 1 1 13 13 PRO HG2 H 1 2.271 0.005 . 2 . . . A 13 PRO HG2 . 30142 1 118 . 1 1 13 13 PRO HG3 H 1 2.264 0.000 . 2 . . . A 13 PRO HG3 . 30142 1 119 . 1 1 13 13 PRO HD2 H 1 4.021 0.003 . 1 . . . A 13 PRO HD2 . 30142 1 120 . 1 1 13 13 PRO HD3 H 1 4.021 0.003 . 1 . . . A 13 PRO HD3 . 30142 1 121 . 1 1 13 13 PRO CA C 13 65.489 0.000 . 1 . . . A 13 PRO CA . 30142 1 122 . 1 1 13 13 PRO CB C 13 32.367 0.018 . 1 . . . A 13 PRO CB . 30142 1 123 . 1 1 13 13 PRO CG C 13 27.862 0.000 . 1 . . . A 13 PRO CG . 30142 1 124 . 1 1 13 13 PRO CD C 13 50.881 0.000 . 1 . . . A 13 PRO CD . 30142 1 125 . 1 1 14 14 THR H H 1 7.192 0.001 . 1 . . . A 14 THR H . 30142 1 126 . 1 1 14 14 THR HA H 1 4.853 0.006 . 1 . . . A 14 THR HA . 30142 1 127 . 1 1 14 14 THR HB H 1 4.569 0.008 . 1 . . . A 14 THR HB . 30142 1 128 . 1 1 14 14 THR HG21 H 1 1.270 0.005 . 1 . . . A 14 THR HG21 . 30142 1 129 . 1 1 14 14 THR HG22 H 1 1.270 0.005 . 1 . . . A 14 THR HG22 . 30142 1 130 . 1 1 14 14 THR HG23 H 1 1.270 0.005 . 1 . . . A 14 THR HG23 . 30142 1 131 . 1 1 14 14 THR CA C 13 58.901 0.000 . 1 . . . A 14 THR CA . 30142 1 132 . 1 1 14 14 THR CB C 13 71.961 0.000 . 1 . . . A 14 THR CB . 30142 1 133 . 1 1 14 14 THR CG2 C 13 21.415 0.000 . 1 . . . A 14 THR CG2 . 30142 1 134 . 1 1 14 14 THR N N 15 103.370 0.000 . 1 . . . A 14 THR N . 30142 1 135 . 1 1 15 15 CYS H H 1 9.438 0.000 . 1 . . . A 15 CYS H . 30142 1 136 . 1 1 15 15 CYS HA H 1 4.709 0.006 . 1 . . . A 15 CYS HA . 30142 1 137 . 1 1 15 15 CYS HB2 H 1 3.070 0.006 . 2 . . . A 15 CYS HB2 . 30142 1 138 . 1 1 15 15 CYS HB3 H 1 3.291 0.004 . 2 . . . A 15 CYS HB3 . 30142 1 139 . 1 1 15 15 CYS CA C 13 56.523 0.000 . 1 . . . A 15 CYS CA . 30142 1 140 . 1 1 15 15 CYS CB C 13 39.566 0.012 . 1 . . . A 15 CYS CB . 30142 1 141 . 1 1 15 15 CYS N N 15 119.991 0.000 . 1 . . . A 15 CYS N . 30142 1 142 . 1 1 16 16 GLU H H 1 8.650 0.001 . 1 . . . A 16 GLU H . 30142 1 143 . 1 1 16 16 GLU HA H 1 4.054 0.004 . 1 . . . A 16 GLU HA . 30142 1 144 . 1 1 16 16 GLU HB2 H 1 1.977 0.005 . 2 . . . A 16 GLU HB2 . 30142 1 145 . 1 1 16 16 GLU HB3 H 1 2.050 0.003 . 2 . . . A 16 GLU HB3 . 30142 1 146 . 1 1 16 16 GLU HG2 H 1 2.334 0.008 . 2 . . . A 16 GLU HG2 . 30142 1 147 . 1 1 16 16 GLU HG3 H 1 2.386 0.005 . 2 . . . A 16 GLU HG3 . 30142 1 148 . 1 1 16 16 GLU CA C 13 58.979 0.000 . 1 . . . A 16 GLU CA . 30142 1 149 . 1 1 16 16 GLU CB C 13 28.457 0.034 . 1 . . . A 16 GLU CB . 30142 1 150 . 1 1 16 16 GLU CG C 13 34.752 0.028 . 1 . . . A 16 GLU CG . 30142 1 151 . 1 1 16 16 GLU N N 15 122.401 0.000 . 1 . . . A 16 GLU N . 30142 1 152 . 1 1 17 17 GLU H H 1 7.755 0.001 . 1 . . . A 17 GLU H . 30142 1 153 . 1 1 17 17 GLU HA H 1 3.940 0.004 . 1 . . . A 17 GLU HA . 30142 1 154 . 1 1 17 17 GLU HB2 H 1 1.984 0.011 . 2 . . . A 17 GLU HB2 . 30142 1 155 . 1 1 17 17 GLU HB3 H 1 1.992 0.005 . 2 . . . A 17 GLU HB3 . 30142 1 156 . 1 1 17 17 GLU HG2 H 1 2.293 0.007 . 1 . . . A 17 GLU HG2 . 30142 1 157 . 1 1 17 17 GLU HG3 H 1 2.293 0.007 . 1 . . . A 17 GLU HG3 . 30142 1 158 . 1 1 17 17 GLU CA C 13 58.024 0.000 . 1 . . . A 17 GLU CA . 30142 1 159 . 1 1 17 17 GLU CB C 13 28.618 0.000 . 1 . . . A 17 GLU CB . 30142 1 160 . 1 1 17 17 GLU CG C 13 34.466 0.000 . 1 . . . A 17 GLU CG . 30142 1 161 . 1 1 17 17 GLU N N 15 118.734 0.000 . 1 . . . A 17 GLU N . 30142 1 162 . 1 1 18 18 ALA H H 1 7.339 0.003 . 1 . . . A 18 ALA H . 30142 1 163 . 1 1 18 18 ALA HA H 1 3.181 0.009 . 1 . . . A 18 ALA HA . 30142 1 164 . 1 1 18 18 ALA HB1 H 1 1.247 0.003 . 1 . . . A 18 ALA HB1 . 30142 1 165 . 1 1 18 18 ALA HB2 H 1 1.247 0.003 . 1 . . . A 18 ALA HB2 . 30142 1 166 . 1 1 18 18 ALA HB3 H 1 1.247 0.003 . 1 . . . A 18 ALA HB3 . 30142 1 167 . 1 1 18 18 ALA CA C 13 54.366 0.000 . 1 . . . A 18 ALA CA . 30142 1 168 . 1 1 18 18 ALA CB C 13 18.629 0.000 . 1 . . . A 18 ALA CB . 30142 1 169 . 1 1 18 18 ALA N N 15 120.991 0.000 . 1 . . . A 18 ALA N . 30142 1 170 . 1 1 19 19 LYS H H 1 7.653 0.003 . 1 . . . A 19 LYS H . 30142 1 171 . 1 1 19 19 LYS HA H 1 3.903 0.002 . 1 . . . A 19 LYS HA . 30142 1 172 . 1 1 19 19 LYS HB2 H 1 1.789 0.010 . 1 . . . A 19 LYS HB2 . 30142 1 173 . 1 1 19 19 LYS HB3 H 1 1.789 0.010 . 1 . . . A 19 LYS HB3 . 30142 1 174 . 1 1 19 19 LYS HG2 H 1 1.361 0.005 . 1 . . . A 19 LYS HG2 . 30142 1 175 . 1 1 19 19 LYS HG3 H 1 1.465 0.002 . 1 . . . A 19 LYS HG3 . 30142 1 176 . 1 1 19 19 LYS HD2 H 1 1.616 0.005 . 1 . . . A 19 LYS HD2 . 30142 1 177 . 1 1 19 19 LYS HD3 H 1 1.616 0.005 . 1 . . . A 19 LYS HD3 . 30142 1 178 . 1 1 19 19 LYS HE2 H 1 2.915 0.007 . 1 . . . A 19 LYS HE2 . 30142 1 179 . 1 1 19 19 LYS HE3 H 1 2.915 0.007 . 1 . . . A 19 LYS HE3 . 30142 1 180 . 1 1 19 19 LYS CA C 13 58.122 0.000 . 1 . . . A 19 LYS CA . 30142 1 181 . 1 1 19 19 LYS CB C 13 32.481 0.000 . 1 . . . A 19 LYS CB . 30142 1 182 . 1 1 19 19 LYS CG C 13 25.102 0.015 . 1 . . . A 19 LYS CG . 30142 1 183 . 1 1 19 19 LYS CD C 13 29.061 0.000 . 1 . . . A 19 LYS CD . 30142 1 184 . 1 1 19 19 LYS CE C 13 41.842 0.000 . 1 . . . A 19 LYS CE . 30142 1 185 . 1 1 19 19 LYS N N 15 115.251 0.000 . 1 . . . A 19 LYS N . 30142 1 186 . 1 1 20 20 LYS H H 1 7.354 0.005 . 1 . . . A 20 LYS H . 30142 1 187 . 1 1 20 20 LYS HA H 1 4.097 0.001 . 1 . . . A 20 LYS HA . 30142 1 188 . 1 1 20 20 LYS HB2 H 1 1.751 0.003 . 2 . . . A 20 LYS HB2 . 30142 1 189 . 1 1 20 20 LYS HB3 H 1 1.822 0.002 . 2 . . . A 20 LYS HB3 . 30142 1 190 . 1 1 20 20 LYS HG2 H 1 1.345 0.002 . 2 . . . A 20 LYS HG2 . 30142 1 191 . 1 1 20 20 LYS HG3 H 1 1.444 0.002 . 2 . . . A 20 LYS HG3 . 30142 1 192 . 1 1 20 20 LYS HD2 H 1 1.612 0.004 . 1 . . . A 20 LYS HD2 . 30142 1 193 . 1 1 20 20 LYS HD3 H 1 1.612 0.004 . 1 . . . A 20 LYS HD3 . 30142 1 194 . 1 1 20 20 LYS HE2 H 1 2.912 0.001 . 1 . . . A 20 LYS HE2 . 30142 1 195 . 1 1 20 20 LYS HE3 H 1 2.912 0.001 . 1 . . . A 20 LYS HE3 . 30142 1 196 . 1 1 20 20 LYS CA C 13 57.289 0.000 . 1 . . . A 20 LYS CA . 30142 1 197 . 1 1 20 20 LYS CB C 13 32.737 0.000 . 1 . . . A 20 LYS CB . 30142 1 198 . 1 1 20 20 LYS CG C 13 25.151 0.000 . 1 . . . A 20 LYS CG . 30142 1 199 . 1 1 20 20 LYS CD C 13 29.069 0.000 . 1 . . . A 20 LYS CD . 30142 1 200 . 1 1 20 20 LYS CE C 13 41.824 0.000 . 1 . . . A 20 LYS CE . 30142 1 201 . 1 1 20 20 LYS N N 15 117.581 0.000 . 1 . . . A 20 LYS N . 30142 1 202 . 1 1 21 21 MET H H 1 7.461 0.001 . 1 . . . A 21 MET H . 30142 1 203 . 1 1 21 21 MET HA H 1 4.317 0.003 . 1 . . . A 21 MET HA . 30142 1 204 . 1 1 21 21 MET HB2 H 1 1.781 0.005 . 2 . . . A 21 MET HB2 . 30142 1 205 . 1 1 21 21 MET HB3 H 1 1.934 0.006 . 2 . . . A 21 MET HB3 . 30142 1 206 . 1 1 21 21 MET HG2 H 1 2.410 0.006 . 1 . . . A 21 MET HG2 . 30142 1 207 . 1 1 21 21 MET HG3 H 1 2.410 0.006 . 1 . . . A 21 MET HG3 . 30142 1 208 . 1 1 21 21 MET CA C 13 55.220 0.000 . 1 . . . A 21 MET CA . 30142 1 209 . 1 1 21 21 MET CG C 13 32.142 0.000 . 1 . . . A 21 MET CG . 30142 1 210 . 1 1 21 21 MET N N 15 117.846 0.000 . 1 . . . A 21 MET N . 30142 1 211 . 1 1 22 22 LYS H H 1 7.954 0.001 . 1 . . . A 22 LYS H . 30142 1 212 . 1 1 22 22 LYS HA H 1 4.031 0.002 . 1 . . . A 22 LYS HA . 30142 1 213 . 1 1 22 22 LYS HB2 H 1 1.640 0.008 . 2 . . . A 22 LYS HB2 . 30142 1 214 . 1 1 22 22 LYS HB3 H 1 1.687 0.005 . 2 . . . A 22 LYS HB3 . 30142 1 215 . 1 1 22 22 LYS HG2 H 1 1.292 0.006 . 1 . . . A 22 LYS HG2 . 30142 1 216 . 1 1 22 22 LYS HG3 H 1 1.292 0.006 . 1 . . . A 22 LYS HG3 . 30142 1 217 . 1 1 22 22 LYS HD2 H 1 1.578 0.001 . 1 . . . A 22 LYS HD2 . 30142 1 218 . 1 1 22 22 LYS HD3 H 1 1.578 0.001 . 1 . . . A 22 LYS HD3 . 30142 1 219 . 1 1 22 22 LYS HE2 H 1 2.932 0.000 . 1 . . . A 22 LYS HE2 . 30142 1 220 . 1 1 22 22 LYS HE3 H 1 2.932 0.000 . 1 . . . A 22 LYS HE3 . 30142 1 221 . 1 1 22 22 LYS CA C 13 56.897 0.000 . 1 . . . A 22 LYS CA . 30142 1 222 . 1 1 22 22 LYS CB C 13 32.235 0.006 . 1 . . . A 22 LYS CB . 30142 1 223 . 1 1 22 22 LYS CG C 13 24.611 0.000 . 1 . . . A 22 LYS CG . 30142 1 224 . 1 1 22 22 LYS CD C 13 28.978 0.000 . 1 . . . A 22 LYS CD . 30142 1 225 . 1 1 22 22 LYS N N 15 121.997 0.000 . 1 . . . A 22 LYS N . 30142 1 226 . 1 1 23 23 LYS H H 1 7.902 0.003 . 1 . . . A 23 LYS H . 30142 1 227 . 1 1 23 23 LYS HA H 1 4.178 0.003 . 1 . . . A 23 LYS HA . 30142 1 228 . 1 1 23 23 LYS HB2 H 1 1.696 0.008 . 2 . . . A 23 LYS HB2 . 30142 1 229 . 1 1 23 23 LYS HB3 H 1 1.729 0.014 . 2 . . . A 23 LYS HB3 . 30142 1 230 . 1 1 23 23 LYS HG2 H 1 1.234 0.008 . 2 . . . A 23 LYS HG2 . 30142 1 231 . 1 1 23 23 LYS HG3 H 1 1.342 0.004 . 2 . . . A 23 LYS HG3 . 30142 1 232 . 1 1 23 23 LYS HD2 H 1 1.565 0.004 . 1 . . . A 23 LYS HD2 . 30142 1 233 . 1 1 23 23 LYS HD3 H 1 1.565 0.004 . 1 . . . A 23 LYS HD3 . 30142 1 234 . 1 1 23 23 LYS HE2 H 1 2.873 0.000 . 1 . . . A 23 LYS HE2 . 30142 1 235 . 1 1 23 23 LYS HE3 H 1 2.873 0.000 . 1 . . . A 23 LYS HE3 . 30142 1 236 . 1 1 23 23 LYS CA C 13 56.368 0.000 . 1 . . . A 23 LYS CA . 30142 1 237 . 1 1 23 23 LYS CB C 13 33.403 0.064 . 1 . . . A 23 LYS CB . 30142 1 238 . 1 1 23 23 LYS CG C 13 24.886 0.000 . 1 . . . A 23 LYS CG . 30142 1 239 . 1 1 23 23 LYS N N 15 121.750 0.000 . 1 . . . A 23 LYS N . 30142 1 240 . 1 1 24 24 ARG H H 1 8.098 0.002 . 1 . . . A 24 ARG H . 30142 1 241 . 1 1 24 24 ARG HA H 1 4.277 0.002 . 1 . . . A 24 ARG HA . 30142 1 242 . 1 1 24 24 ARG HB2 H 1 1.680 0.002 . 2 . . . A 24 ARG HB2 . 30142 1 243 . 1 1 24 24 ARG HB3 H 1 1.873 0.003 . 2 . . . A 24 ARG HB3 . 30142 1 244 . 1 1 24 24 ARG HG2 H 1 1.551 0.003 . 1 . . . A 24 ARG HG2 . 30142 1 245 . 1 1 24 24 ARG HG3 H 1 1.551 0.003 . 1 . . . A 24 ARG HG3 . 30142 1 246 . 1 1 24 24 ARG HD2 H 1 3.042 0.002 . 1 . . . A 24 ARG HD2 . 30142 1 247 . 1 1 24 24 ARG HD3 H 1 3.042 0.002 . 1 . . . A 24 ARG HD3 . 30142 1 248 . 1 1 24 24 ARG HE H 1 7.115 0.001 . 1 . . . A 24 ARG HE . 30142 1 249 . 1 1 24 24 ARG CA C 13 56.181 0.000 . 1 . . . A 24 ARG CA . 30142 1 250 . 1 1 24 24 ARG CB C 13 30.450 0.015 . 1 . . . A 24 ARG CB . 30142 1 251 . 1 1 24 24 ARG CG C 13 26.999 0.000 . 1 . . . A 24 ARG CG . 30142 1 252 . 1 1 24 24 ARG CD C 13 43.066 0.000 . 1 . . . A 24 ARG CD . 30142 1 253 . 1 1 24 24 ARG N N 15 120.795 0.000 . 1 . . . A 24 ARG N . 30142 1 254 . 1 1 25 25 CYS H H 1 7.908 0.002 . 1 . . . A 25 CYS H . 30142 1 255 . 1 1 25 25 CYS HA H 1 4.552 0.004 . 1 . . . A 25 CYS HA . 30142 1 256 . 1 1 25 25 CYS HB2 H 1 3.232 0.008 . 2 . . . A 25 CYS HB2 . 30142 1 257 . 1 1 25 25 CYS HB3 H 1 3.256 0.011 . 2 . . . A 25 CYS HB3 . 30142 1 258 . 1 1 25 25 CYS CA C 13 56.743 0.000 . 1 . . . A 25 CYS CA . 30142 1 259 . 1 1 25 25 CYS CB C 13 42.863 0.002 . 1 . . . A 25 CYS CB . 30142 1 260 . 1 1 25 25 CYS N N 15 123.423 0.000 . 1 . . . A 25 CYS N . 30142 1 stop_ save_