################################### # 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 30580 _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' . . . 30580 1 2 '2D 1H-1H NOESY' . . . 30580 1 3 '2D 1H-15N HSQC' . . . 30580 1 4 '2D 1H-13C HSQC' . . . 30580 1 5 '2D 1H-1H NOESY' . . . 30580 1 6 '2D 1H-1H NOESY' . . . 30580 1 7 '2D 1H-1H NOESY' . . . 30580 1 8 '2D 1H-1H NOESY' . . . 30580 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 PRO HA H 1 4.397 0.000 . . . . . . A 1 PRO HA . 30580 1 2 . 1 1 1 1 PRO HB2 H 1 2.457 0.000 . . . . . . A 1 PRO HB2 . 30580 1 3 . 1 1 1 1 PRO HB3 H 1 2.022 0.000 . . . . . . A 1 PRO HB3 . 30580 1 4 . 1 1 1 1 PRO HG2 H 1 2.051 0.000 . . . . . . A 1 PRO HG2 . 30580 1 5 . 1 1 1 1 PRO HG3 H 1 2.051 0.000 . . . . . . A 1 PRO HG3 . 30580 1 6 . 1 1 1 1 PRO HD2 H 1 3.378 0.000 . . . . . . A 1 PRO HD2 . 30580 1 7 . 1 1 1 1 PRO HD3 H 1 3.378 0.000 . . . . . . A 1 PRO HD3 . 30580 1 8 . 1 1 1 1 PRO CA C 13 62.232 0.000 . . . . . . A 1 PRO CA . 30580 1 9 . 1 1 1 1 PRO CB C 13 32.356 0.000 . . . . . . A 1 PRO CB . 30580 1 10 . 1 1 2 2 ARG H H 1 8.800 0.000 . . . . . . A 2 ARG H . 30580 1 11 . 1 1 2 2 ARG HA H 1 4.336 0.000 . . . . . . A 2 ARG HA . 30580 1 12 . 1 1 2 2 ARG HB2 H 1 1.850 0.000 . . . . . . A 2 ARG HB2 . 30580 1 13 . 1 1 2 2 ARG HB3 H 1 1.782 0.000 . . . . . . A 2 ARG HB3 . 30580 1 14 . 1 1 2 2 ARG HG2 H 1 1.671 0.000 . . . . . . A 2 ARG HG2 . 30580 1 15 . 1 1 2 2 ARG HG3 H 1 1.671 0.000 . . . . . . A 2 ARG HG3 . 30580 1 16 . 1 1 2 2 ARG HD2 H 1 3.185 0.000 . . . . . . A 2 ARG HD2 . 30580 1 17 . 1 1 2 2 ARG HD3 H 1 3.185 0.000 . . . . . . A 2 ARG HD3 . 30580 1 18 . 1 1 2 2 ARG HE H 1 7.263 0.007 . . . . . . A 2 ARG HE . 30580 1 19 . 1 1 2 2 ARG CA C 13 55.841 0.000 . . . . . . A 2 ARG CA . 30580 1 20 . 1 1 2 2 ARG CB C 13 30.757 0.000 . . . . . . A 2 ARG CB . 30580 1 21 . 1 1 2 2 ARG N N 15 120.953 0.000 . . . . . . A 2 ARG N . 30580 1 22 . 1 1 3 3 GLY H H 1 8.592 0.000 . . . . . . A 3 GLY H . 30580 1 23 . 1 1 3 3 GLY HA2 H 1 4.070 0.000 . . . . . . A 3 GLY HA2 . 30580 1 24 . 1 1 3 3 GLY HA3 H 1 3.917 0.000 . . . . . . A 3 GLY HA3 . 30580 1 25 . 1 1 3 3 GLY CA C 13 44.688 0.000 . . . . . . A 3 GLY CA . 30580 1 26 . 1 1 3 3 GLY N N 15 110.747 0.000 . . . . . . A 3 GLY N . 30580 1 27 . 1 1 4 4 SER H H 1 8.482 0.000 . . . . . . A 4 SER H . 30580 1 28 . 1 1 4 4 SER HA H 1 4.829 0.000 . . . . . . A 4 SER HA . 30580 1 29 . 1 1 4 4 SER HB2 H 1 4.121 0.000 . . . . . . A 4 SER HB2 . 30580 1 30 . 1 1 4 4 SER HB3 H 1 3.960 0.000 . . . . . . A 4 SER HB3 . 30580 1 31 . 1 1 4 4 SER CB C 13 63.286 0.000 . . . . . . A 4 SER CB . 30580 1 32 . 1 1 4 4 SER N N 15 116.914 0.000 . . . . . . A 4 SER N . 30580 1 33 . 1 1 5 5 PRO HA H 1 4.328 0.000 . . . . . . A 5 PRO HA . 30580 1 34 . 1 1 5 5 PRO HB2 H 1 2.246 0.000 . . . . . . A 5 PRO HB2 . 30580 1 35 . 1 1 5 5 PRO HB3 H 1 1.926 0.000 . . . . . . A 5 PRO HB3 . 30580 1 36 . 1 1 5 5 PRO HG2 H 1 2.151 0.000 . . . . . . A 5 PRO HG2 . 30580 1 37 . 1 1 5 5 PRO HG3 H 1 1.960 0.000 . . . . . . A 5 PRO HG3 . 30580 1 38 . 1 1 5 5 PRO HD2 H 1 3.903 0.000 . . . . . . A 5 PRO HD2 . 30580 1 39 . 1 1 5 5 PRO HD3 H 1 3.903 0.000 . . . . . . A 5 PRO HD3 . 30580 1 40 . 1 1 5 5 PRO CA C 13 65.089 0.000 . . . . . . A 5 PRO CA . 30580 1 41 . 1 1 5 5 PRO CB C 13 31.995 0.000 . . . . . . A 5 PRO CB . 30580 1 42 . 1 1 6 6 ARG H H 1 8.475 0.001 . . . . . . A 6 ARG H . 30580 1 43 . 1 1 6 6 ARG HA H 1 4.211 0.000 . . . . . . A 6 ARG HA . 30580 1 44 . 1 1 6 6 ARG HB2 H 1 1.889 0.000 . . . . . . A 6 ARG HB2 . 30580 1 45 . 1 1 6 6 ARG HB3 H 1 1.751 0.000 . . . . . . A 6 ARG HB3 . 30580 1 46 . 1 1 6 6 ARG HG2 H 1 1.667 0.000 . . . . . . A 6 ARG HG2 . 30580 1 47 . 1 1 6 6 ARG HG3 H 1 1.667 0.000 . . . . . . A 6 ARG HG3 . 30580 1 48 . 1 1 6 6 ARG HD2 H 1 3.189 0.000 . . . . . . A 6 ARG HD2 . 30580 1 49 . 1 1 6 6 ARG HD3 H 1 3.189 0.000 . . . . . . A 6 ARG HD3 . 30580 1 50 . 1 1 6 6 ARG HE H 1 7.441 0.000 . . . . . . A 6 ARG HE . 30580 1 51 . 1 1 6 6 ARG CA C 13 58.370 0.000 . . . . . . A 6 ARG CA . 30580 1 52 . 1 1 6 6 ARG CB C 13 29.869 0.000 . . . . . . A 6 ARG CB . 30580 1 53 . 1 1 6 6 ARG N N 15 118.165 0.000 . . . . . . A 6 ARG N . 30580 1 54 . 1 1 7 7 THR H H 1 7.891 0.000 . . . . . . A 7 THR H . 30580 1 55 . 1 1 7 7 THR HA H 1 4.137 0.000 . . . . . . A 7 THR HA . 30580 1 56 . 1 1 7 7 THR HB H 1 4.344 0.000 . . . . . . A 7 THR HB . 30580 1 57 . 1 1 7 7 THR HG21 H 1 1.293 0.001 . . . . . . A 7 THR HG21 . 30580 1 58 . 1 1 7 7 THR HG22 H 1 1.293 0.001 . . . . . . A 7 THR HG22 . 30580 1 59 . 1 1 7 7 THR HG23 H 1 1.293 0.001 . . . . . . A 7 THR HG23 . 30580 1 60 . 1 1 7 7 THR CA C 13 65.089 0.000 . . . . . . A 7 THR CA . 30580 1 61 . 1 1 7 7 THR CB C 13 68.807 0.000 . . . . . . A 7 THR CB . 30580 1 62 . 1 1 7 7 THR CG2 C 13 21.838 0.000 . . . . . . A 7 THR CG2 . 30580 1 63 . 1 1 7 7 THR N N 15 113.757 0.000 . . . . . . A 7 THR N . 30580 1 64 . 1 1 8 8 GLU H H 1 8.390 0.000 . . . . . . A 8 GLU H . 30580 1 65 . 1 1 8 8 GLU HA H 1 4.126 0.000 . . . . . . A 8 GLU HA . 30580 1 66 . 1 1 8 8 GLU HB2 H 1 2.059 0.000 . . . . . . A 8 GLU HB2 . 30580 1 67 . 1 1 8 8 GLU HB3 H 1 1.949 0.001 . . . . . . A 8 GLU HB3 . 30580 1 68 . 1 1 8 8 GLU HG2 H 1 2.360 0.001 . . . . . . A 8 GLU HG2 . 30580 1 69 . 1 1 8 8 GLU HG3 H 1 2.360 0.001 . . . . . . A 8 GLU HG3 . 30580 1 70 . 1 1 8 8 GLU CA C 13 59.002 0.000 . . . . . . A 8 GLU CA . 30580 1 71 . 1 1 8 8 GLU CB C 13 29.153 0.000 . . . . . . A 8 GLU CB . 30580 1 72 . 1 1 8 8 GLU N N 15 122.226 0.000 . . . . . . A 8 GLU N . 30580 1 73 . 1 1 9 9 TYR H H 1 8.229 0.002 . . . . . . A 9 TYR H . 30580 1 74 . 1 1 9 9 TYR HA H 1 4.621 0.000 . . . . . . A 9 TYR HA . 30580 1 75 . 1 1 9 9 TYR HB2 H 1 3.206 0.007 . . . . . . A 9 TYR HB2 . 30580 1 76 . 1 1 9 9 TYR HB3 H 1 3.140 0.005 . . . . . . A 9 TYR HB3 . 30580 1 77 . 1 1 9 9 TYR HD1 H 1 7.030 0.000 . . . . . . A 9 TYR HD1 . 30580 1 78 . 1 1 9 9 TYR HD2 H 1 7.030 0.000 . . . . . . A 9 TYR HD2 . 30580 1 79 . 1 1 9 9 TYR HE1 H 1 6.643 0.002 . . . . . . A 9 TYR HE1 . 30580 1 80 . 1 1 9 9 TYR HE2 H 1 6.643 0.002 . . . . . . A 9 TYR HE2 . 30580 1 81 . 1 1 9 9 TYR CA C 13 60.459 0.000 . . . . . . A 9 TYR CA . 30580 1 82 . 1 1 9 9 TYR CB C 13 38.784 0.000 . . . . . . A 9 TYR CB . 30580 1 83 . 1 1 9 9 TYR N N 15 121.633 0.000 . . . . . . A 9 TYR N . 30580 1 84 . 1 1 10 10 GLU H H 1 8.382 0.000 . . . . . . A 10 GLU H . 30580 1 85 . 1 1 10 10 GLU HA H 1 3.701 0.000 . . . . . . A 10 GLU HA . 30580 1 86 . 1 1 10 10 GLU HB2 H 1 2.228 0.000 . . . . . . A 10 GLU HB2 . 30580 1 87 . 1 1 10 10 GLU HB3 H 1 2.228 0.000 . . . . . . A 10 GLU HB3 . 30580 1 88 . 1 1 10 10 GLU HG2 H 1 2.422 0.000 . . . . . . A 10 GLU HG2 . 30580 1 89 . 1 1 10 10 GLU HG3 H 1 2.422 0.000 . . . . . . A 10 GLU HG3 . 30580 1 90 . 1 1 10 10 GLU CA C 13 60.178 0.000 . . . . . . A 10 GLU CA . 30580 1 91 . 1 1 10 10 GLU CB C 13 28.813 0.000 . . . . . . A 10 GLU CB . 30580 1 92 . 1 1 10 10 GLU N N 15 121.798 0.000 . . . . . . A 10 GLU N . 30580 1 93 . 1 1 11 11 ALA H H 1 7.877 0.000 . . . . . . A 11 ALA H . 30580 1 94 . 1 1 11 11 ALA HA H 1 4.090 0.006 . . . . . . A 11 ALA HA . 30580 1 95 . 1 1 11 11 ALA HB1 H 1 1.446 0.000 . . . . . . A 11 ALA HB1 . 30580 1 96 . 1 1 11 11 ALA HB2 H 1 1.446 0.000 . . . . . . A 11 ALA HB2 . 30580 1 97 . 1 1 11 11 ALA HB3 H 1 1.446 0.000 . . . . . . A 11 ALA HB3 . 30580 1 98 . 1 1 11 11 ALA CA C 13 54.823 0.000 . . . . . . A 11 ALA CA . 30580 1 99 . 1 1 11 11 ALA CB C 13 17.738 0.000 . . . . . . A 11 ALA CB . 30580 1 100 . 1 1 11 11 ALA N N 15 115.834 0.000 . . . . . . A 11 ALA N . 30580 1 101 . 1 1 12 12 CYS H H 1 8.125 0.004 . . . . . . A 12 CYS H . 30580 1 102 . 1 1 12 12 CYS HA H 1 4.145 0.000 . . . . . . A 12 CYS HA . 30580 1 103 . 1 1 12 12 CYS HB2 H 1 3.486 0.000 . . . . . . A 12 CYS HB2 . 30580 1 104 . 1 1 12 12 CYS HB3 H 1 3.115 0.000 . . . . . . A 12 CYS HB3 . 30580 1 105 . 1 1 12 12 CYS CA C 13 58.124 0.000 . . . . . . A 12 CYS CA . 30580 1 106 . 1 1 12 12 CYS CB C 13 36.840 0.000 . . . . . . A 12 CYS CB . 30580 1 107 . 1 1 12 12 CYS N N 15 119.729 0.000 . . . . . . A 12 CYS N . 30580 1 108 . 1 1 13 13 ARG H H 1 8.289 0.000 . . . . . . A 13 ARG H . 30580 1 109 . 1 1 13 13 ARG HA H 1 3.633 0.000 . . . . . . A 13 ARG HA . 30580 1 110 . 1 1 13 13 ARG HB2 H 1 1.702 0.000 . . . . . . A 13 ARG HB2 . 30580 1 111 . 1 1 13 13 ARG HB3 H 1 1.579 0.000 . . . . . . A 13 ARG HB3 . 30580 1 112 . 1 1 13 13 ARG HG2 H 1 1.374 0.000 . . . . . . A 13 ARG HG2 . 30580 1 113 . 1 1 13 13 ARG HG3 H 1 1.233 0.000 . . . . . . A 13 ARG HG3 . 30580 1 114 . 1 1 13 13 ARG HD2 H 1 3.021 0.001 . . . . . . A 13 ARG HD2 . 30580 1 115 . 1 1 13 13 ARG HD3 H 1 2.792 0.000 . . . . . . A 13 ARG HD3 . 30580 1 116 . 1 1 13 13 ARG HE H 1 7.247 0.000 . . . . . . A 13 ARG HE . 30580 1 117 . 1 1 13 13 ARG CA C 13 60.126 0.000 . . . . . . A 13 ARG CA . 30580 1 118 . 1 1 13 13 ARG CB C 13 29.800 0.000 . . . . . . A 13 ARG CB . 30580 1 119 . 1 1 13 13 ARG CG C 13 27.301 0.000 . . . . . . A 13 ARG CG . 30580 1 120 . 1 1 13 13 ARG N N 15 120.097 0.000 . . . . . . A 13 ARG N . 30580 1 121 . 1 1 14 14 VAL H H 1 7.876 0.003 . . . . . . A 14 VAL H . 30580 1 122 . 1 1 14 14 VAL HA H 1 3.687 0.000 . . . . . . A 14 VAL HA . 30580 1 123 . 1 1 14 14 VAL HB H 1 2.027 0.000 . . . . . . A 14 VAL HB . 30580 1 124 . 1 1 14 14 VAL HG21 H 1 0.935 0.000 . . . . . . A 14 VAL HG21 . 30580 1 125 . 1 1 14 14 VAL HG22 H 1 0.935 0.000 . . . . . . A 14 VAL HG22 . 30580 1 126 . 1 1 14 14 VAL HG23 H 1 0.935 0.000 . . . . . . A 14 VAL HG23 . 30580 1 127 . 1 1 14 14 VAL CA C 13 66.201 0.000 . . . . . . A 14 VAL CA . 30580 1 128 . 1 1 14 14 VAL CB C 13 32.843 0.000 . . . . . . A 14 VAL CB . 30580 1 129 . 1 1 14 14 VAL CG1 C 13 22.603 0.000 . . . . . . A 14 VAL CG1 . 30580 1 130 . 1 1 14 14 VAL CG2 C 13 21.033 0.000 . . . . . . A 14 VAL CG2 . 30580 1 131 . 1 1 14 14 VAL N N 15 119.714 0.000 . . . . . . A 14 VAL N . 30580 1 132 . 1 1 15 15 ARG H H 1 8.230 0.000 . . . . . . A 15 ARG H . 30580 1 133 . 1 1 15 15 ARG HA H 1 3.845 0.000 . . . . . . A 15 ARG HA . 30580 1 134 . 1 1 15 15 ARG HB2 H 1 1.712 0.000 . . . . . . A 15 ARG HB2 . 30580 1 135 . 1 1 15 15 ARG HB3 H 1 1.589 0.000 . . . . . . A 15 ARG HB3 . 30580 1 136 . 1 1 15 15 ARG HG2 H 1 2.078 0.000 . . . . . . A 15 ARG HG2 . 30580 1 137 . 1 1 15 15 ARG HG3 H 1 1.950 0.000 . . . . . . A 15 ARG HG3 . 30580 1 138 . 1 1 15 15 ARG HD2 H 1 3.184 0.000 . . . . . . A 15 ARG HD2 . 30580 1 139 . 1 1 15 15 ARG HD3 H 1 3.184 0.000 . . . . . . A 15 ARG HD3 . 30580 1 140 . 1 1 15 15 ARG CA C 13 58.563 0.000 . . . . . . A 15 ARG CA . 30580 1 141 . 1 1 15 15 ARG CB C 13 29.858 0.000 . . . . . . A 15 ARG CB . 30580 1 142 . 1 1 15 15 ARG N N 15 119.570 0.000 . . . . . . A 15 ARG N . 30580 1 143 . 1 1 16 16 CYS H H 1 7.985 0.000 . . . . . . A 16 CYS H . 30580 1 144 . 1 1 16 16 CYS HA H 1 4.435 0.001 . . . . . . A 16 CYS HA . 30580 1 145 . 1 1 16 16 CYS HB2 H 1 3.218 0.000 . . . . . . A 16 CYS HB2 . 30580 1 146 . 1 1 16 16 CYS HB3 H 1 2.993 0.000 . . . . . . A 16 CYS HB3 . 30580 1 147 . 1 1 16 16 CYS CA C 13 53.980 0.000 . . . . . . A 16 CYS CA . 30580 1 148 . 1 1 16 16 CYS CB C 13 37.316 0.000 . . . . . . A 16 CYS CB . 30580 1 149 . 1 1 16 16 CYS N N 15 115.621 0.000 . . . . . . A 16 CYS N . 30580 1 150 . 1 1 17 17 GLN H H 1 7.577 0.000 . . . . . . A 17 GLN H . 30580 1 151 . 1 1 17 17 GLN HA H 1 4.030 0.000 . . . . . . A 17 GLN HA . 30580 1 152 . 1 1 17 17 GLN HB2 H 1 2.319 0.001 . . . . . . A 17 GLN HB2 . 30580 1 153 . 1 1 17 17 GLN HB3 H 1 2.181 0.001 . . . . . . A 17 GLN HB3 . 30580 1 154 . 1 1 17 17 GLN HG2 H 1 2.452 0.001 . . . . . . A 17 GLN HG2 . 30580 1 155 . 1 1 17 17 GLN HG3 H 1 2.452 0.001 . . . . . . A 17 GLN HG3 . 30580 1 156 . 1 1 17 17 GLN CA C 13 57.825 0.000 . . . . . . A 17 GLN CA . 30580 1 157 . 1 1 17 17 GLN CB C 13 28.149 0.000 . . . . . . A 17 GLN CB . 30580 1 158 . 1 1 17 17 GLN N N 15 116.690 0.000 . . . . . . A 17 GLN N . 30580 1 159 . 1 1 18 18 VAL H H 1 7.695 0.000 . . . . . . A 18 VAL H . 30580 1 160 . 1 1 18 18 VAL HA H 1 4.077 0.000 . . . . . . A 18 VAL HA . 30580 1 161 . 1 1 18 18 VAL HB H 1 2.111 0.000 . . . . . . A 18 VAL HB . 30580 1 162 . 1 1 18 18 VAL HG21 H 1 0.945 0.000 . . . . . . A 18 VAL HG21 . 30580 1 163 . 1 1 18 18 VAL HG22 H 1 0.945 0.000 . . . . . . A 18 VAL HG22 . 30580 1 164 . 1 1 18 18 VAL HG23 H 1 0.945 0.000 . . . . . . A 18 VAL HG23 . 30580 1 165 . 1 1 18 18 VAL CA C 13 63.444 0.000 . . . . . . A 18 VAL CA . 30580 1 166 . 1 1 18 18 VAL CB C 13 32.839 0.000 . . . . . . A 18 VAL CB . 30580 1 167 . 1 1 18 18 VAL CG1 C 13 21.024 0.000 . . . . . . A 18 VAL CG1 . 30580 1 168 . 1 1 18 18 VAL CG2 C 13 20.976 0.000 . . . . . . A 18 VAL CG2 . 30580 1 169 . 1 1 18 18 VAL N N 15 114.903 0.000 . . . . . . A 18 VAL N . 30580 1 170 . 1 1 19 19 ALA H H 1 8.342 0.000 . . . . . . A 19 ALA H . 30580 1 171 . 1 1 19 19 ALA HA H 1 4.322 0.000 . . . . . . A 19 ALA HA . 30580 1 172 . 1 1 19 19 ALA HB1 H 1 1.441 0.000 . . . . . . A 19 ALA HB1 . 30580 1 173 . 1 1 19 19 ALA HB2 H 1 1.441 0.000 . . . . . . A 19 ALA HB2 . 30580 1 174 . 1 1 19 19 ALA HB3 H 1 1.441 0.000 . . . . . . A 19 ALA HB3 . 30580 1 175 . 1 1 19 19 ALA CA C 13 53.313 0.000 . . . . . . A 19 ALA CA . 30580 1 176 . 1 1 19 19 ALA CB C 13 20.304 0.000 . . . . . . A 19 ALA CB . 30580 1 177 . 1 1 19 19 ALA N N 15 120.843 0.000 . . . . . . A 19 ALA N . 30580 1 178 . 1 1 20 20 GLU H H 1 7.296 0.000 . . . . . . A 20 GLU H . 30580 1 179 . 1 1 20 20 GLU HA H 1 4.662 0.000 . . . . . . A 20 GLU HA . 30580 1 180 . 1 1 20 20 GLU HB2 H 1 2.046 0.000 . . . . . . A 20 GLU HB2 . 30580 1 181 . 1 1 20 20 GLU HB3 H 1 1.768 0.000 . . . . . . A 20 GLU HB3 . 30580 1 182 . 1 1 20 20 GLU HG2 H 1 2.342 0.000 . . . . . . A 20 GLU HG2 . 30580 1 183 . 1 1 20 20 GLU HG3 H 1 2.216 0.000 . . . . . . A 20 GLU HG3 . 30580 1 184 . 1 1 20 20 GLU CB C 13 29.833 0.000 . . . . . . A 20 GLU CB . 30580 1 185 . 1 1 20 20 GLU N N 15 116.497 0.000 . . . . . . A 20 GLU N . 30580 1 186 . 1 1 21 21 HIS H H 1 8.724 0.001 . . . . . . A 21 HIS H . 30580 1 187 . 1 1 21 21 HIS HA H 1 4.717 0.000 . . . . . . A 21 HIS HA . 30580 1 188 . 1 1 21 21 HIS HB2 H 1 3.232 0.000 . . . . . . A 21 HIS HB2 . 30580 1 189 . 1 1 21 21 HIS HB3 H 1 3.116 0.000 . . . . . . A 21 HIS HB3 . 30580 1 190 . 1 1 21 21 HIS CB C 13 29.509 0.000 . . . . . . A 21 HIS CB . 30580 1 191 . 1 1 21 21 HIS N N 15 119.394 0.000 . . . . . . A 21 HIS N . 30580 1 192 . 1 1 22 22 GLY H H 1 8.469 0.000 . . . . . . A 22 GLY H . 30580 1 193 . 1 1 22 22 GLY HA2 H 1 4.401 0.000 . . . . . . A 22 GLY HA2 . 30580 1 194 . 1 1 22 22 GLY HA3 H 1 3.811 0.000 . . . . . . A 22 GLY HA3 . 30580 1 195 . 1 1 22 22 GLY CA C 13 44.251 0.000 . . . . . . A 22 GLY CA . 30580 1 196 . 1 1 22 22 GLY N N 15 113.008 0.000 . . . . . . A 22 GLY N . 30580 1 197 . 1 1 23 23 VAL H H 1 8.392 0.000 . . . . . . A 23 VAL H . 30580 1 198 . 1 1 23 23 VAL HA H 1 3.753 0.000 . . . . . . A 23 VAL HA . 30580 1 199 . 1 1 23 23 VAL HB H 1 2.051 0.000 . . . . . . A 23 VAL HB . 30580 1 200 . 1 1 23 23 VAL HG21 H 1 0.976 0.003 . . . . . . A 23 VAL HG21 . 30580 1 201 . 1 1 23 23 VAL HG22 H 1 0.976 0.003 . . . . . . A 23 VAL HG22 . 30580 1 202 . 1 1 23 23 VAL HG23 H 1 0.976 0.003 . . . . . . A 23 VAL HG23 . 30580 1 203 . 1 1 23 23 VAL CA C 13 66.148 0.000 . . . . . . A 23 VAL CA . 30580 1 204 . 1 1 23 23 VAL CB C 13 31.753 0.000 . . . . . . A 23 VAL CB . 30580 1 205 . 1 1 23 23 VAL CG1 C 13 21.536 0.000 . . . . . . A 23 VAL CG1 . 30580 1 206 . 1 1 23 23 VAL CG2 C 13 21.394 0.000 . . . . . . A 23 VAL CG2 . 30580 1 207 . 1 1 23 23 VAL N N 15 122.710 0.000 . . . . . . A 23 VAL N . 30580 1 208 . 1 1 24 24 GLU H H 1 8.588 0.000 . . . . . . A 24 GLU H . 30580 1 209 . 1 1 24 24 GLU HA H 1 4.083 0.000 . . . . . . A 24 GLU HA . 30580 1 210 . 1 1 24 24 GLU HB2 H 1 2.074 0.000 . . . . . . A 24 GLU HB2 . 30580 1 211 . 1 1 24 24 GLU HB3 H 1 2.074 0.000 . . . . . . A 24 GLU HB3 . 30580 1 212 . 1 1 24 24 GLU HG2 H 1 2.365 0.000 . . . . . . A 24 GLU HG2 . 30580 1 213 . 1 1 24 24 GLU HG3 H 1 2.365 0.000 . . . . . . A 24 GLU HG3 . 30580 1 214 . 1 1 24 24 GLU CA C 13 59.300 0.000 . . . . . . A 24 GLU CA . 30580 1 215 . 1 1 24 24 GLU CB C 13 29.191 0.000 . . . . . . A 24 GLU CB . 30580 1 216 . 1 1 24 24 GLU N N 15 120.163 0.000 . . . . . . A 24 GLU N . 30580 1 217 . 1 1 25 25 ARG H H 1 8.179 0.000 . . . . . . A 25 ARG H . 30580 1 218 . 1 1 25 25 ARG HA H 1 3.947 0.000 . . . . . . A 25 ARG HA . 30580 1 219 . 1 1 25 25 ARG HB2 H 1 1.927 0.000 . . . . . . A 25 ARG HB2 . 30580 1 220 . 1 1 25 25 ARG HB3 H 1 1.873 0.000 . . . . . . A 25 ARG HB3 . 30580 1 221 . 1 1 25 25 ARG HG2 H 1 1.793 0.000 . . . . . . A 25 ARG HG2 . 30580 1 222 . 1 1 25 25 ARG HG3 H 1 1.618 0.000 . . . . . . A 25 ARG HG3 . 30580 1 223 . 1 1 25 25 ARG HD2 H 1 3.375 0.000 . . . . . . A 25 ARG HD2 . 30580 1 224 . 1 1 25 25 ARG HD3 H 1 3.318 0.000 . . . . . . A 25 ARG HD3 . 30580 1 225 . 1 1 25 25 ARG HE H 1 7.416 0.000 . . . . . . A 25 ARG HE . 30580 1 226 . 1 1 25 25 ARG CA C 13 59.300 0.000 . . . . . . A 25 ARG CA . 30580 1 227 . 1 1 25 25 ARG CB C 13 27.725 0.000 . . . . . . A 25 ARG CB . 30580 1 228 . 1 1 25 25 ARG N N 15 119.088 0.000 . . . . . . A 25 ARG N . 30580 1 229 . 1 1 26 26 GLN H H 1 8.371 0.000 . . . . . . A 26 GLN H . 30580 1 230 . 1 1 26 26 GLN HA H 1 3.701 0.000 . . . . . . A 26 GLN HA . 30580 1 231 . 1 1 26 26 GLN HB2 H 1 2.226 0.000 . . . . . . A 26 GLN HB2 . 30580 1 232 . 1 1 26 26 GLN HB3 H 1 2.226 0.000 . . . . . . A 26 GLN HB3 . 30580 1 233 . 1 1 26 26 GLN HG2 H 1 2.421 0.000 . . . . . . A 26 GLN HG2 . 30580 1 234 . 1 1 26 26 GLN HG3 H 1 2.421 0.000 . . . . . . A 26 GLN HG3 . 30580 1 235 . 1 1 26 26 GLN CA C 13 56.983 0.000 . . . . . . A 26 GLN CA . 30580 1 236 . 1 1 26 26 GLN CB C 13 27.774 0.000 . . . . . . A 26 GLN CB . 30580 1 237 . 1 1 26 26 GLN N N 15 120.206 0.000 . . . . . . A 26 GLN N . 30580 1 238 . 1 1 27 27 ARG H H 1 8.486 0.000 . . . . . . A 27 ARG H . 30580 1 239 . 1 1 27 27 ARG HA H 1 4.050 0.000 . . . . . . A 27 ARG HA . 30580 1 240 . 1 1 27 27 ARG HB2 H 1 1.946 0.000 . . . . . . A 27 ARG HB2 . 30580 1 241 . 1 1 27 27 ARG HB3 H 1 1.797 0.000 . . . . . . A 27 ARG HB3 . 30580 1 242 . 1 1 27 27 ARG HG2 H 1 1.614 0.000 . . . . . . A 27 ARG HG2 . 30580 1 243 . 1 1 27 27 ARG HG3 H 1 1.614 0.000 . . . . . . A 27 ARG HG3 . 30580 1 244 . 1 1 27 27 ARG HD2 H 1 3.192 0.000 . . . . . . A 27 ARG HD2 . 30580 1 245 . 1 1 27 27 ARG HD3 H 1 3.192 0.000 . . . . . . A 27 ARG HD3 . 30580 1 246 . 1 1 27 27 ARG HE H 1 7.360 0.001 . . . . . . A 27 ARG HE . 30580 1 247 . 1 1 27 27 ARG CA C 13 59.423 0.000 . . . . . . A 27 ARG CA . 30580 1 248 . 1 1 27 27 ARG CB C 13 29.744 0.000 . . . . . . A 27 ARG CB . 30580 1 249 . 1 1 27 27 ARG N N 15 120.250 0.000 . . . . . . A 27 ARG N . 30580 1 250 . 1 1 28 28 ARG H H 1 7.970 0.000 . . . . . . A 28 ARG H . 30580 1 251 . 1 1 28 28 ARG HA H 1 4.092 0.000 . . . . . . A 28 ARG HA . 30580 1 252 . 1 1 28 28 ARG HB2 H 1 1.885 0.000 . . . . . . A 28 ARG HB2 . 30580 1 253 . 1 1 28 28 ARG HB3 H 1 1.789 0.000 . . . . . . A 28 ARG HB3 . 30580 1 254 . 1 1 28 28 ARG HG2 H 1 1.663 0.000 . . . . . . A 28 ARG HG2 . 30580 1 255 . 1 1 28 28 ARG HG3 H 1 1.663 0.000 . . . . . . A 28 ARG HG3 . 30580 1 256 . 1 1 28 28 ARG HD2 H 1 3.192 0.000 . . . . . . A 28 ARG HD2 . 30580 1 257 . 1 1 28 28 ARG HD3 H 1 3.192 0.000 . . . . . . A 28 ARG HD3 . 30580 1 258 . 1 1 28 28 ARG HE H 1 7.372 0.000 . . . . . . A 28 ARG HE . 30580 1 259 . 1 1 28 28 ARG CA C 13 59.599 0.000 . . . . . . A 28 ARG CA . 30580 1 260 . 1 1 28 28 ARG CB C 13 30.710 0.000 . . . . . . A 28 ARG CB . 30580 1 261 . 1 1 28 28 ARG N N 15 119.500 0.000 . . . . . . A 28 ARG N . 30580 1 262 . 1 1 29 29 CYS H H 1 7.774 0.002 . . . . . . A 29 CYS H . 30580 1 263 . 1 1 29 29 CYS HA H 1 4.268 0.001 . . . . . . A 29 CYS HA . 30580 1 264 . 1 1 29 29 CYS HB2 H 1 3.447 0.002 . . . . . . A 29 CYS HB2 . 30580 1 265 . 1 1 29 29 CYS HB3 H 1 2.997 0.002 . . . . . . A 29 CYS HB3 . 30580 1 266 . 1 1 29 29 CYS CA C 13 56.772 0.000 . . . . . . A 29 CYS CA . 30580 1 267 . 1 1 29 29 CYS CB C 13 35.041 0.000 . . . . . . A 29 CYS CB . 30580 1 268 . 1 1 29 29 CYS N N 15 119.133 0.000 . . . . . . A 29 CYS N . 30580 1 269 . 1 1 30 30 GLN H H 1 8.486 0.000 . . . . . . A 30 GLN H . 30580 1 270 . 1 1 30 30 GLN HA H 1 3.750 0.000 . . . . . . A 30 GLN HA . 30580 1 271 . 1 1 30 30 GLN HB2 H 1 2.259 0.000 . . . . . . A 30 GLN HB2 . 30580 1 272 . 1 1 30 30 GLN HB3 H 1 2.259 0.000 . . . . . . A 30 GLN HB3 . 30580 1 273 . 1 1 30 30 GLN HG2 H 1 2.561 0.000 . . . . . . A 30 GLN HG2 . 30580 1 274 . 1 1 30 30 GLN HG3 H 1 2.561 0.000 . . . . . . A 30 GLN HG3 . 30580 1 275 . 1 1 30 30 GLN CA C 13 59.599 0.000 . . . . . . A 30 GLN CA . 30580 1 276 . 1 1 30 30 GLN CB C 13 27.579 0.000 . . . . . . A 30 GLN CB . 30580 1 277 . 1 1 30 30 GLN N N 15 120.602 0.000 . . . . . . A 30 GLN N . 30580 1 278 . 1 1 31 31 GLN H H 1 8.186 0.000 . . . . . . A 31 GLN H . 30580 1 279 . 1 1 31 31 GLN HA H 1 4.140 0.000 . . . . . . A 31 GLN HA . 30580 1 280 . 1 1 31 31 GLN HB2 H 1 2.452 0.000 . . . . . . A 31 GLN HB2 . 30580 1 281 . 1 1 31 31 GLN HB3 H 1 2.354 0.000 . . . . . . A 31 GLN HB3 . 30580 1 282 . 1 1 31 31 GLN HG2 H 1 2.613 0.000 . . . . . . A 31 GLN HG2 . 30580 1 283 . 1 1 31 31 GLN HG3 H 1 2.613 0.000 . . . . . . A 31 GLN HG3 . 30580 1 284 . 1 1 31 31 GLN CA C 13 58.984 0.000 . . . . . . A 31 GLN CA . 30580 1 285 . 1 1 31 31 GLN CB C 13 34.135 0.000 . . . . . . A 31 GLN CB . 30580 1 286 . 1 1 31 31 GLN CG C 13 34.105 0.000 . . . . . . A 31 GLN CG . 30580 1 287 . 1 1 31 31 GLN N N 15 121.226 0.000 . . . . . . A 31 GLN N . 30580 1 288 . 1 1 32 32 VAL H H 1 7.855 0.000 . . . . . . A 32 VAL H . 30580 1 289 . 1 1 32 32 VAL HA H 1 3.720 0.000 . . . . . . A 32 VAL HA . 30580 1 290 . 1 1 32 32 VAL HB H 1 2.420 0.000 . . . . . . A 32 VAL HB . 30580 1 291 . 1 1 32 32 VAL HG21 H 1 0.971 0.000 . . . . . . A 32 VAL HG21 . 30580 1 292 . 1 1 32 32 VAL HG22 H 1 0.971 0.000 . . . . . . A 32 VAL HG22 . 30580 1 293 . 1 1 32 32 VAL HG23 H 1 0.971 0.000 . . . . . . A 32 VAL HG23 . 30580 1 294 . 1 1 32 32 VAL CA C 13 66.956 0.000 . . . . . . A 32 VAL CA . 30580 1 295 . 1 1 32 32 VAL CB C 13 31.030 0.000 . . . . . . A 32 VAL CB . 30580 1 296 . 1 1 32 32 VAL CG1 C 13 22.452 0.000 . . . . . . A 32 VAL CG1 . 30580 1 297 . 1 1 32 32 VAL CG2 C 13 20.580 0.000 . . . . . . A 32 VAL CG2 . 30580 1 298 . 1 1 32 32 VAL N N 15 115.560 0.000 . . . . . . A 32 VAL N . 30580 1 299 . 1 1 33 33 CYS H H 1 7.920 0.004 . . . . . . A 33 CYS H . 30580 1 300 . 1 1 33 33 CYS HA H 1 4.406 0.000 . . . . . . A 33 CYS HA . 30580 1 301 . 1 1 33 33 CYS HB2 H 1 3.288 0.000 . . . . . . A 33 CYS HB2 . 30580 1 302 . 1 1 33 33 CYS HB3 H 1 3.203 0.000 . . . . . . A 33 CYS HB3 . 30580 1 303 . 1 1 33 33 CYS CA C 13 57.049 0.000 . . . . . . A 33 CYS CA . 30580 1 304 . 1 1 33 33 CYS CB C 13 36.364 0.000 . . . . . . A 33 CYS CB . 30580 1 305 . 1 1 33 33 CYS N N 15 117.438 0.000 . . . . . . A 33 CYS N . 30580 1 306 . 1 1 34 34 GLU H H 1 8.386 0.004 . . . . . . A 34 GLU H . 30580 1 307 . 1 1 34 34 GLU HA H 1 4.041 0.000 . . . . . . A 34 GLU HA . 30580 1 308 . 1 1 34 34 GLU HB2 H 1 2.267 0.000 . . . . . . A 34 GLU HB2 . 30580 1 309 . 1 1 34 34 GLU HB3 H 1 2.267 0.000 . . . . . . A 34 GLU HB3 . 30580 1 310 . 1 1 34 34 GLU HG2 H 1 2.492 0.000 . . . . . . A 34 GLU HG2 . 30580 1 311 . 1 1 34 34 GLU HG3 H 1 2.492 0.000 . . . . . . A 34 GLU HG3 . 30580 1 312 . 1 1 34 34 GLU CA C 13 59.177 0.000 . . . . . . A 34 GLU CA . 30580 1 313 . 1 1 34 34 GLU CB C 13 33.743 0.000 . . . . . . A 34 GLU CB . 30580 1 314 . 1 1 34 34 GLU N N 15 120.560 0.000 . . . . . . A 34 GLU N . 30580 1 315 . 1 1 35 35 LYS H H 1 8.195 0.000 . . . . . . A 35 LYS H . 30580 1 316 . 1 1 35 35 LYS HA H 1 4.004 0.000 . . . . . . A 35 LYS HA . 30580 1 317 . 1 1 35 35 LYS HB2 H 1 1.995 0.000 . . . . . . A 35 LYS HB2 . 30580 1 318 . 1 1 35 35 LYS HB3 H 1 1.689 0.000 . . . . . . A 35 LYS HB3 . 30580 1 319 . 1 1 35 35 LYS HG2 H 1 1.564 0.000 . . . . . . A 35 LYS HG2 . 30580 1 320 . 1 1 35 35 LYS HG3 H 1 1.421 0.000 . . . . . . A 35 LYS HG3 . 30580 1 321 . 1 1 35 35 LYS CA C 13 59.581 0.000 . . . . . . A 35 LYS CA . 30580 1 322 . 1 1 35 35 LYS CB C 13 29.372 0.000 . . . . . . A 35 LYS CB . 30580 1 323 . 1 1 35 35 LYS CG C 13 24.946 0.000 . . . . . . A 35 LYS CG . 30580 1 324 . 1 1 35 35 LYS N N 15 120.157 0.000 . . . . . . A 35 LYS N . 30580 1 325 . 1 1 36 36 ARG H H 1 8.091 0.000 . . . . . . A 36 ARG H . 30580 1 326 . 1 1 36 36 ARG HA H 1 4.229 0.000 . . . . . . A 36 ARG HA . 30580 1 327 . 1 1 36 36 ARG HB2 H 1 1.961 0.000 . . . . . . A 36 ARG HB2 . 30580 1 328 . 1 1 36 36 ARG HB3 H 1 1.835 0.000 . . . . . . A 36 ARG HB3 . 30580 1 329 . 1 1 36 36 ARG HG2 H 1 1.729 0.000 . . . . . . A 36 ARG HG2 . 30580 1 330 . 1 1 36 36 ARG HG3 H 1 1.729 0.000 . . . . . . A 36 ARG HG3 . 30580 1 331 . 1 1 36 36 ARG HD2 H 1 3.257 0.000 . . . . . . A 36 ARG HD2 . 30580 1 332 . 1 1 36 36 ARG HD3 H 1 3.177 0.000 . . . . . . A 36 ARG HD3 . 30580 1 333 . 1 1 36 36 ARG HE H 1 7.567 0.000 . . . . . . A 36 ARG HE . 30580 1 334 . 1 1 36 36 ARG CA C 13 57.439 0.000 . . . . . . A 36 ARG CA . 30580 1 335 . 1 1 36 36 ARG CB C 13 30.186 0.000 . . . . . . A 36 ARG CB . 30580 1 336 . 1 1 36 36 ARG N N 15 117.957 0.000 . . . . . . A 36 ARG N . 30580 1 337 . 1 1 37 37 LEU H H 1 7.681 0.000 . . . . . . A 37 LEU H . 30580 1 338 . 1 1 37 37 LEU HA H 1 4.277 0.000 . . . . . . A 37 LEU HA . 30580 1 339 . 1 1 37 37 LEU HB2 H 1 1.821 0.002 . . . . . . A 37 LEU HB2 . 30580 1 340 . 1 1 37 37 LEU HB3 H 1 1.498 0.004 . . . . . . A 37 LEU HB3 . 30580 1 341 . 1 1 37 37 LEU HG H 1 1.346 0.000 . . . . . . A 37 LEU HG . 30580 1 342 . 1 1 37 37 LEU HD11 H 1 0.708 0.000 . . . . . . A 37 LEU HD11 . 30580 1 343 . 1 1 37 37 LEU HD12 H 1 0.708 0.000 . . . . . . A 37 LEU HD12 . 30580 1 344 . 1 1 37 37 LEU HD13 H 1 0.708 0.000 . . . . . . A 37 LEU HD13 . 30580 1 345 . 1 1 37 37 LEU HD21 H 1 0.327 0.000 . . . . . . A 37 LEU HD21 . 30580 1 346 . 1 1 37 37 LEU HD22 H 1 0.327 0.000 . . . . . . A 37 LEU HD22 . 30580 1 347 . 1 1 37 37 LEU HD23 H 1 0.327 0.000 . . . . . . A 37 LEU HD23 . 30580 1 348 . 1 1 37 37 LEU CA C 13 56.175 0.000 . . . . . . A 37 LEU CA . 30580 1 349 . 1 1 37 37 LEU CG C 13 26.838 0.000 . . . . . . A 37 LEU CG . 30580 1 350 . 1 1 37 37 LEU CD2 C 13 24.125 0.000 . . . . . . A 37 LEU CD2 . 30580 1 351 . 1 1 37 37 LEU N N 15 121.974 0.000 . . . . . . A 37 LEU N . 30580 1 352 . 1 1 38 38 ARG H H 1 8.015 0.000 . . . . . . A 38 ARG H . 30580 1 353 . 1 1 38 38 ARG HA H 1 4.039 0.000 . . . . . . A 38 ARG HA . 30580 1 354 . 1 1 38 38 ARG HB2 H 1 1.892 0.000 . . . . . . A 38 ARG HB2 . 30580 1 355 . 1 1 38 38 ARG HB3 H 1 1.751 0.000 . . . . . . A 38 ARG HB3 . 30580 1 356 . 1 1 38 38 ARG HG2 H 1 1.610 0.000 . . . . . . A 38 ARG HG2 . 30580 1 357 . 1 1 38 38 ARG HG3 H 1 1.610 0.000 . . . . . . A 38 ARG HG3 . 30580 1 358 . 1 1 38 38 ARG HD2 H 1 3.154 0.000 . . . . . . A 38 ARG HD2 . 30580 1 359 . 1 1 38 38 ARG HD3 H 1 3.154 0.000 . . . . . . A 38 ARG HD3 . 30580 1 360 . 1 1 38 38 ARG HE H 1 7.275 0.000 . . . . . . A 38 ARG HE . 30580 1 361 . 1 1 38 38 ARG CA C 13 58.580 0.000 . . . . . . A 38 ARG CA . 30580 1 362 . 1 1 38 38 ARG CB C 13 27.232 0.000 . . . . . . A 38 ARG CB . 30580 1 363 . 1 1 38 38 ARG N N 15 117.682 0.000 . . . . . . A 38 ARG N . 30580 1 364 . 1 1 39 39 GLU H H 1 8.041 0.000 . . . . . . A 39 GLU H . 30580 1 365 . 1 1 39 39 GLU HA H 1 4.137 0.000 . . . . . . A 39 GLU HA . 30580 1 366 . 1 1 39 39 GLU HB2 H 1 2.562 0.000 . . . . . . A 39 GLU HB2 . 30580 1 367 . 1 1 39 39 GLU HB3 H 1 2.393 0.000 . . . . . . A 39 GLU HB3 . 30580 1 368 . 1 1 39 39 GLU HG2 H 1 2.206 0.000 . . . . . . A 39 GLU HG2 . 30580 1 369 . 1 1 39 39 GLU HG3 H 1 2.121 0.000 . . . . . . A 39 GLU HG3 . 30580 1 370 . 1 1 39 39 GLU CA C 13 58.528 0.000 . . . . . . A 39 GLU CA . 30580 1 371 . 1 1 39 39 GLU CB C 13 34.828 0.000 . . . . . . A 39 GLU CB . 30580 1 372 . 1 1 39 39 GLU N N 15 118.858 0.000 . . . . . . A 39 GLU N . 30580 1 373 . 1 1 40 40 ARG H H 1 7.869 0.000 . . . . . . A 40 ARG H . 30580 1 374 . 1 1 40 40 ARG HA H 1 4.077 0.000 . . . . . . A 40 ARG HA . 30580 1 375 . 1 1 40 40 ARG HB2 H 1 1.946 0.000 . . . . . . A 40 ARG HB2 . 30580 1 376 . 1 1 40 40 ARG HB3 H 1 1.732 0.000 . . . . . . A 40 ARG HB3 . 30580 1 377 . 1 1 40 40 ARG HG2 H 1 1.443 0.000 . . . . . . A 40 ARG HG2 . 30580 1 378 . 1 1 40 40 ARG HG3 H 1 1.443 0.000 . . . . . . A 40 ARG HG3 . 30580 1 379 . 1 1 40 40 ARG HD2 H 1 3.181 0.000 . . . . . . A 40 ARG HD2 . 30580 1 380 . 1 1 40 40 ARG HD3 H 1 3.181 0.000 . . . . . . A 40 ARG HD3 . 30580 1 381 . 1 1 40 40 ARG HE H 1 7.231 0.000 . . . . . . A 40 ARG HE . 30580 1 382 . 1 1 40 40 ARG CA C 13 59.177 0.000 . . . . . . A 40 ARG CA . 30580 1 383 . 1 1 40 40 ARG CB C 13 29.432 0.000 . . . . . . A 40 ARG CB . 30580 1 384 . 1 1 40 40 ARG N N 15 125.701 0.000 . . . . . . A 40 ARG N . 30580 1 385 . 1 1 41 41 GLU H H 1 8.226 0.003 . . . . . . A 41 GLU H . 30580 1 386 . 1 1 41 41 GLU HA H 1 4.264 0.000 . . . . . . A 41 GLU HA . 30580 1 387 . 1 1 41 41 GLU HB2 H 1 2.105 0.000 . . . . . . A 41 GLU HB2 . 30580 1 388 . 1 1 41 41 GLU HB3 H 1 2.035 0.000 . . . . . . A 41 GLU HB3 . 30580 1 389 . 1 1 41 41 GLU HG2 H 1 2.524 0.004 . . . . . . A 41 GLU HG2 . 30580 1 390 . 1 1 41 41 GLU HG3 H 1 2.348 0.000 . . . . . . A 41 GLU HG3 . 30580 1 391 . 1 1 41 41 GLU CA C 13 59.792 0.000 . . . . . . A 41 GLU CA . 30580 1 392 . 1 1 41 41 GLU CB C 13 29.131 0.000 . . . . . . A 41 GLU CB . 30580 1 393 . 1 1 41 41 GLU N N 15 118.078 0.000 . . . . . . A 41 GLU N . 30580 1 394 . 1 1 42 42 GLY H H 1 8.081 0.009 . . . . . . A 42 GLY H . 30580 1 395 . 1 1 42 42 GLY HA2 H 1 3.958 0.003 . . . . . . A 42 GLY HA2 . 30580 1 396 . 1 1 42 42 GLY HA3 H 1 3.958 0.003 . . . . . . A 42 GLY HA3 . 30580 1 397 . 1 1 42 42 GLY CA C 13 45.550 0.000 . . . . . . A 42 GLY CA . 30580 1 398 . 1 1 42 42 GLY N N 15 119.179 0.000 . . . . . . A 42 GLY N . 30580 1 399 . 1 1 43 43 ARG H H 1 8.004 0.000 . . . . . . A 43 ARG H . 30580 1 400 . 1 1 43 43 ARG HA H 1 4.348 0.000 . . . . . . A 43 ARG HA . 30580 1 401 . 1 1 43 43 ARG HB2 H 1 1.881 0.000 . . . . . . A 43 ARG HB2 . 30580 1 402 . 1 1 43 43 ARG HB3 H 1 1.740 0.000 . . . . . . A 43 ARG HB3 . 30580 1 403 . 1 1 43 43 ARG HG2 H 1 1.633 0.000 . . . . . . A 43 ARG HG2 . 30580 1 404 . 1 1 43 43 ARG HG3 H 1 1.633 0.000 . . . . . . A 43 ARG HG3 . 30580 1 405 . 1 1 43 43 ARG HD2 H 1 3.185 0.000 . . . . . . A 43 ARG HD2 . 30580 1 406 . 1 1 43 43 ARG HD3 H 1 3.185 0.000 . . . . . . A 43 ARG HD3 . 30580 1 407 . 1 1 43 43 ARG HE H 1 7.229 0.000 . . . . . . A 43 ARG HE . 30580 1 408 . 1 1 43 43 ARG CA C 13 56.631 0.000 . . . . . . A 43 ARG CA . 30580 1 409 . 1 1 43 43 ARG CB C 13 30.698 0.000 . . . . . . A 43 ARG CB . 30580 1 410 . 1 1 43 43 ARG N N 15 119.836 0.000 . . . . . . A 43 ARG N . 30580 1 411 . 1 1 44 44 ARG H H 1 8.364 0.000 . . . . . . A 44 ARG H . 30580 1 412 . 1 1 44 44 ARG HA H 1 4.279 0.000 . . . . . . A 44 ARG HA . 30580 1 413 . 1 1 44 44 ARG HB2 H 1 1.835 0.000 . . . . . . A 44 ARG HB2 . 30580 1 414 . 1 1 44 44 ARG HB3 H 1 1.763 0.000 . . . . . . A 44 ARG HB3 . 30580 1 415 . 1 1 44 44 ARG HG2 H 1 1.610 0.000 . . . . . . A 44 ARG HG2 . 30580 1 416 . 1 1 44 44 ARG HG3 H 1 1.610 0.000 . . . . . . A 44 ARG HG3 . 30580 1 417 . 1 1 44 44 ARG HD2 H 1 3.185 0.000 . . . . . . A 44 ARG HD2 . 30580 1 418 . 1 1 44 44 ARG HD3 H 1 3.185 0.000 . . . . . . A 44 ARG HD3 . 30580 1 419 . 1 1 44 44 ARG HE H 1 7.210 0.000 . . . . . . A 44 ARG HE . 30580 1 420 . 1 1 44 44 ARG CA C 13 57.790 0.000 . . . . . . A 44 ARG CA . 30580 1 421 . 1 1 44 44 ARG CB C 13 30.306 0.000 . . . . . . A 44 ARG CB . 30580 1 422 . 1 1 44 44 ARG N N 15 121.589 0.000 . . . . . . A 44 ARG N . 30580 1 423 . 1 1 45 45 GLU H H 1 8.434 0.001 . . . . . . A 45 GLU H . 30580 1 424 . 1 1 45 45 GLU HA H 1 4.364 0.000 . . . . . . A 45 GLU HA . 30580 1 425 . 1 1 45 45 GLU HB2 H 1 2.068 0.000 . . . . . . A 45 GLU HB2 . 30580 1 426 . 1 1 45 45 GLU HB3 H 1 1.954 0.000 . . . . . . A 45 GLU HB3 . 30580 1 427 . 1 1 45 45 GLU HG2 H 1 2.374 0.000 . . . . . . A 45 GLU HG2 . 30580 1 428 . 1 1 45 45 GLU HG3 H 1 2.374 0.000 . . . . . . A 45 GLU HG3 . 30580 1 429 . 1 1 45 45 GLU CA C 13 55.841 0.000 . . . . . . A 45 GLU CA . 30580 1 430 . 1 1 45 45 GLU CB C 13 29.884 0.000 . . . . . . A 45 GLU CB . 30580 1 431 . 1 1 45 45 GLU N N 15 122.335 0.000 . . . . . . A 45 GLU N . 30580 1 432 . 1 1 46 46 VAL H H 1 8.161 0.003 . . . . . . A 46 VAL H . 30580 1 433 . 1 1 46 46 VAL HA H 1 4.137 0.000 . . . . . . A 46 VAL HA . 30580 1 434 . 1 1 46 46 VAL HB H 1 2.079 0.000 . . . . . . A 46 VAL HB . 30580 1 435 . 1 1 46 46 VAL HG21 H 1 0.898 0.000 . . . . . . A 46 VAL HG21 . 30580 1 436 . 1 1 46 46 VAL HG22 H 1 0.898 0.000 . . . . . . A 46 VAL HG22 . 30580 1 437 . 1 1 46 46 VAL HG23 H 1 0.898 0.000 . . . . . . A 46 VAL HG23 . 30580 1 438 . 1 1 46 46 VAL CA C 13 62.057 0.000 . . . . . . A 46 VAL CA . 30580 1 439 . 1 1 46 46 VAL CB C 13 32.808 0.000 . . . . . . A 46 VAL CB . 30580 1 440 . 1 1 46 46 VAL CG1 C 13 24.796 0.000 . . . . . . A 46 VAL CG1 . 30580 1 441 . 1 1 46 46 VAL CG2 C 13 20.075 0.000 . . . . . . A 46 VAL CG2 . 30580 1 442 . 1 1 46 46 VAL N N 15 120.569 0.000 . . . . . . A 46 VAL N . 30580 1 443 . 1 1 47 47 ASP H H 1 8.153 0.000 . . . . . . A 47 ASP H . 30580 1 444 . 1 1 47 47 ASP HA H 1 4.497 0.000 . . . . . . A 47 ASP HA . 30580 1 445 . 1 1 47 47 ASP HB2 H 1 2.820 0.000 . . . . . . A 47 ASP HB2 . 30580 1 446 . 1 1 47 47 ASP HB3 H 1 2.741 0.000 . . . . . . A 47 ASP HB3 . 30580 1 447 . 1 1 47 47 ASP CA C 13 53.963 0.000 . . . . . . A 47 ASP CA . 30580 1 448 . 1 1 47 47 ASP CB C 13 40.087 0.000 . . . . . . A 47 ASP CB . 30580 1 stop_ save_