################################### # 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 30749 _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' . . . 30749 1 2 '2D 1H-1H NOESY' . . . 30749 1 3 '2D 1H-13C HSQC' . . . 30749 1 4 '2D 1H-15N HSQC' . . . 30749 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 PCA N N 15 125.325 0.000 . . . . . . A 1 PCA N . 30749 1 2 . 1 . 1 1 1 PCA CA C 13 59.368 0.000 . . . . . . A 1 PCA CA . 30749 1 3 . 1 . 1 1 1 PCA CG C 13 27.746 0.000 . . . . . . A 1 PCA CG . 30749 1 4 . 1 . 1 1 1 PCA HA H 1 4.348 0.000 . . . . . . A 1 PCA HA . 30749 1 5 . 1 . 1 1 1 PCA HB2 H 1 2.021 0.000 . . . . . . A 1 PCA HB2 . 30749 1 6 . 1 . 1 1 1 PCA HB3 H 1 2.021 0.000 . . . . . . A 1 PCA HB3 . 30749 1 7 . 1 . 1 1 1 PCA HG2 H 1 2.511 0.000 . . . . . . A 1 PCA HG2 . 30749 1 8 . 1 . 1 1 1 PCA HG3 H 1 2.511 0.000 . . . . . . A 1 PCA HG3 . 30749 1 9 . 1 . 1 2 2 ARG H H 1 8.519 0.000 . . . . . . A 2 ARG H . 30749 1 10 . 1 . 1 2 2 ARG HA H 1 4.267 0.000 . . . . . . A 2 ARG HA . 30749 1 11 . 1 . 1 2 2 ARG HB2 H 1 1.818 0.000 . . . . . . A 2 ARG HB2 . 30749 1 12 . 1 . 1 2 2 ARG HB3 H 1 1.747 0.000 . . . . . . A 2 ARG HB3 . 30749 1 13 . 1 . 1 2 2 ARG HG2 H 1 1.616 0.000 . . . . . . A 2 ARG HG2 . 30749 1 14 . 1 . 1 2 2 ARG HG3 H 1 1.616 0.000 . . . . . . A 2 ARG HG3 . 30749 1 15 . 1 . 1 2 2 ARG HD2 H 1 3.165 0.001 . . . . . . A 2 ARG HD2 . 30749 1 16 . 1 . 1 2 2 ARG HD3 H 1 3.165 0.001 . . . . . . A 2 ARG HD3 . 30749 1 17 . 1 . 1 2 2 ARG HE H 1 7.236 0.000 . . . . . . A 2 ARG HE . 30749 1 18 . 1 . 1 2 2 ARG CA C 13 57.963 0.000 . . . . . . A 2 ARG CA . 30749 1 19 . 1 . 1 2 2 ARG N N 15 121.489 0.000 . . . . . . A 2 ARG N . 30749 1 20 . 1 . 1 3 3 GLY H H 1 8.636 0.000 . . . . . . A 3 GLY H . 30749 1 21 . 1 . 1 3 3 GLY HA2 H 1 3.959 0.000 . . . . . . A 3 GLY HA2 . 30749 1 22 . 1 . 1 3 3 GLY HA3 H 1 3.959 0.000 . . . . . . A 3 GLY HA3 . 30749 1 23 . 1 . 1 3 3 GLY CA C 13 44.781 0.000 . . . . . . A 3 GLY CA . 30749 1 24 . 1 . 1 3 3 GLY N N 15 110.738 0.000 . . . . . . A 3 GLY N . 30749 1 25 . 1 . 1 4 4 SER H H 1 8.238 0.000 . . . . . . A 4 SER H . 30749 1 26 . 1 . 1 4 4 SER HA H 1 4.765 0.000 . . . . . . A 4 SER HA . 30749 1 27 . 1 . 1 4 4 SER HB2 H 1 4.138 0.000 . . . . . . A 4 SER HB2 . 30749 1 28 . 1 . 1 4 4 SER HB3 H 1 3.928 0.000 . . . . . . A 4 SER HB3 . 30749 1 29 . 1 . 1 4 4 SER CB C 13 63.013 0.000 . . . . . . A 4 SER CB . 30749 1 30 . 1 . 1 4 4 SER N N 15 116.598 0.000 . . . . . . A 4 SER N . 30749 1 31 . 1 . 1 5 5 PRO HA H 1 4.245 0.000 . . . . . . A 5 PRO HA . 30749 1 32 . 1 . 1 5 5 PRO HB2 H 1 2.190 0.000 . . . . . . A 5 PRO HB2 . 30749 1 33 . 1 . 1 5 5 PRO HB3 H 1 1.837 0.000 . . . . . . A 5 PRO HB3 . 30749 1 34 . 1 . 1 5 5 PRO HG2 H 1 2.128 0.000 . . . . . . A 5 PRO HG2 . 30749 1 35 . 1 . 1 5 5 PRO HG3 H 1 1.933 0.000 . . . . . . A 5 PRO HG3 . 30749 1 36 . 1 . 1 5 5 PRO CA C 13 65.502 0.000 . . . . . . A 5 PRO CA . 30749 1 37 . 1 . 1 6 6 ARG H H 1 8.454 0.000 . . . . . . A 6 ARG H . 30749 1 38 . 1 . 1 6 6 ARG HA H 1 4.042 0.000 . . . . . . A 6 ARG HA . 30749 1 39 . 1 . 1 6 6 ARG HB2 H 1 1.832 0.000 . . . . . . A 6 ARG HB2 . 30749 1 40 . 1 . 1 6 6 ARG HB3 H 1 1.710 0.000 . . . . . . A 6 ARG HB3 . 30749 1 41 . 1 . 1 6 6 ARG HG2 H 1 1.628 0.000 . . . . . . A 6 ARG HG2 . 30749 1 42 . 1 . 1 6 6 ARG HG3 H 1 1.628 0.000 . . . . . . A 6 ARG HG3 . 30749 1 43 . 1 . 1 6 6 ARG HD2 H 1 3.164 0.000 . . . . . . A 6 ARG HD2 . 30749 1 44 . 1 . 1 6 6 ARG HD3 H 1 3.164 0.000 . . . . . . A 6 ARG HD3 . 30749 1 45 . 1 . 1 6 6 ARG HE H 1 7.348 0.000 . . . . . . A 6 ARG HE . 30749 1 46 . 1 . 1 7 7 ALA H H 1 7.831 0.000 . . . . . . A 7 ALA H . 30749 1 47 . 1 . 1 7 7 ALA HA H 1 4.155 0.000 . . . . . . A 7 ALA HA . 30749 1 48 . 1 . 1 7 7 ALA HB1 H 1 1.485 0.000 . . . . . . A 7 ALA HB1 . 30749 1 49 . 1 . 1 7 7 ALA HB2 H 1 1.485 0.000 . . . . . . A 7 ALA HB2 . 30749 1 50 . 1 . 1 7 7 ALA HB3 H 1 1.485 0.000 . . . . . . A 7 ALA HB3 . 30749 1 51 . 1 . 1 7 7 ALA CA C 13 55.052 0.000 . . . . . . A 7 ALA CA . 30749 1 52 . 1 . 1 7 7 ALA CB C 13 18.117 0.000 . . . . . . A 7 ALA CB . 30749 1 53 . 1 . 1 7 7 ALA N N 15 123.706 0.000 . . . . . . A 7 ALA N . 30749 1 54 . 1 . 1 8 8 GLU H H 1 8.232 0.000 . . . . . . A 8 GLU H . 30749 1 55 . 1 . 1 8 8 GLU HA H 1 3.997 0.000 . . . . . . A 8 GLU HA . 30749 1 56 . 1 . 1 8 8 GLU HB2 H 1 2.064 0.000 . . . . . . A 8 GLU HB2 . 30749 1 57 . 1 . 1 8 8 GLU HB3 H 1 2.064 0.000 . . . . . . A 8 GLU HB3 . 30749 1 58 . 1 . 1 8 8 GLU HG2 H 1 2.397 0.000 . . . . . . A 8 GLU HG2 . 30749 1 59 . 1 . 1 8 8 GLU HG3 H 1 2.276 0.000 . . . . . . A 8 GLU HG3 . 30749 1 60 . 1 . 1 8 8 GLU CA C 13 58.646 0.000 . . . . . . A 8 GLU CA . 30749 1 61 . 1 . 1 8 8 GLU CG C 13 35.071 0.000 . . . . . . A 8 GLU CG . 30749 1 62 . 1 . 1 8 8 GLU N N 15 117.777 0.000 . . . . . . A 8 GLU N . 30749 1 63 . 1 . 1 9 9 TYR H H 1 8.127 0.000 . . . . . . A 9 TYR H . 30749 1 64 . 1 . 1 9 9 TYR HA H 1 4.630 0.000 . . . . . . A 9 TYR HA . 30749 1 65 . 1 . 1 9 9 TYR HB2 H 1 3.254 0.000 . . . . . . A 9 TYR HB2 . 30749 1 66 . 1 . 1 9 9 TYR HB3 H 1 3.157 0.000 . . . . . . A 9 TYR HB3 . 30749 1 67 . 1 . 1 9 9 TYR HD1 H 1 6.984 0.005 . . . . . . A 9 TYR HD1 . 30749 1 68 . 1 . 1 9 9 TYR HD2 H 1 6.984 0.005 . . . . . . A 9 TYR HD2 . 30749 1 69 . 1 . 1 9 9 TYR HE1 H 1 6.613 0.000 . . . . . . A 9 TYR HE1 . 30749 1 70 . 1 . 1 9 9 TYR HE2 H 1 6.613 0.000 . . . . . . A 9 TYR HE2 . 30749 1 71 . 1 . 1 9 9 TYR CA C 13 60.360 0.000 . . . . . . A 9 TYR CA . 30749 1 72 . 1 . 1 9 9 TYR CB C 13 38.509 0.000 . . . . . . A 9 TYR CB . 30749 1 73 . 1 . 1 9 9 TYR N N 15 122.000 0.000 . . . . . . A 9 TYR N . 30749 1 74 . 1 . 1 10 10 GLU H H 1 8.048 0.000 . . . . . . A 10 GLU H . 30749 1 75 . 1 . 1 10 10 GLU HA H 1 3.839 0.000 . . . . . . A 10 GLU HA . 30749 1 76 . 1 . 1 10 10 GLU HB2 H 1 2.135 0.000 . . . . . . A 10 GLU HB2 . 30749 1 77 . 1 . 1 10 10 GLU HB3 H 1 2.135 0.000 . . . . . . A 10 GLU HB3 . 30749 1 78 . 1 . 1 10 10 GLU HG2 H 1 2.576 0.000 . . . . . . A 10 GLU HG2 . 30749 1 79 . 1 . 1 10 10 GLU HG3 H 1 2.576 0.000 . . . . . . A 10 GLU HG3 . 30749 1 80 . 1 . 1 10 10 GLU CA C 13 58.666 0.000 . . . . . . A 10 GLU CA . 30749 1 81 . 1 . 1 10 10 GLU CG C 13 33.502 0.000 . . . . . . A 10 GLU CG . 30749 1 82 . 1 . 1 10 10 GLU N N 15 118.825 0.000 . . . . . . A 10 GLU N . 30749 1 83 . 1 . 1 11 11 VAL H H 1 7.619 0.000 . . . . . . A 11 VAL H . 30749 1 84 . 1 . 1 11 11 VAL HA H 1 3.612 0.000 . . . . . . A 11 VAL HA . 30749 1 85 . 1 . 1 11 11 VAL HB H 1 2.066 0.000 . . . . . . A 11 VAL HB . 30749 1 86 . 1 . 1 11 11 VAL HG21 H 1 0.913 0.000 . . . . . . A 11 VAL HG21 . 30749 1 87 . 1 . 1 11 11 VAL HG22 H 1 0.913 0.000 . . . . . . A 11 VAL HG22 . 30749 1 88 . 1 . 1 11 11 VAL HG23 H 1 0.913 0.000 . . . . . . A 11 VAL HG23 . 30749 1 89 . 1 . 1 11 11 VAL CA C 13 66.359 0.000 . . . . . . A 11 VAL CA . 30749 1 90 . 1 . 1 11 11 VAL CG1 C 13 22.391 0.000 . . . . . . A 11 VAL CG1 . 30749 1 91 . 1 . 1 11 11 VAL CG2 C 13 20.933 0.000 . . . . . . A 11 VAL CG2 . 30749 1 92 . 1 . 1 11 11 VAL N N 15 119.114 0.000 . . . . . . A 11 VAL N . 30749 1 93 . 1 . 1 12 12 CYS H H 1 8.003 0.000 . . . . . . A 12 CYS H . 30749 1 94 . 1 . 1 12 12 CYS HA H 1 4.093 0.000 . . . . . . A 12 CYS HA . 30749 1 95 . 1 . 1 12 12 CYS HB2 H 1 3.419 0.000 . . . . . . A 12 CYS HB2 . 30749 1 96 . 1 . 1 12 12 CYS HB3 H 1 3.065 0.000 . . . . . . A 12 CYS HB3 . 30749 1 97 . 1 . 1 12 12 CYS CA C 13 59.957 0.000 . . . . . . A 12 CYS CA . 30749 1 98 . 1 . 1 12 12 CYS CB C 13 36.712 0.000 . . . . . . A 12 CYS CB . 30749 1 99 . 1 . 1 12 12 CYS N N 15 120.645 0.000 . . . . . . A 12 CYS N . 30749 1 100 . 1 . 1 13 13 ARG H H 1 8.502 0.000 . . . . . . A 13 ARG H . 30749 1 101 . 1 . 1 13 13 ARG HA H 1 3.563 0.000 . . . . . . A 13 ARG HA . 30749 1 102 . 1 . 1 13 13 ARG HB2 H 1 1.564 0.000 . . . . . . A 13 ARG HB2 . 30749 1 103 . 1 . 1 13 13 ARG HB3 H 1 1.406 0.001 . . . . . . A 13 ARG HB3 . 30749 1 104 . 1 . 1 13 13 ARG HG2 H 1 1.340 0.000 . . . . . . A 13 ARG HG2 . 30749 1 105 . 1 . 1 13 13 ARG HG3 H 1 1.224 0.000 . . . . . . A 13 ARG HG3 . 30749 1 106 . 1 . 1 13 13 ARG HD2 H 1 2.985 0.000 . . . . . . A 13 ARG HD2 . 30749 1 107 . 1 . 1 13 13 ARG HD3 H 1 2.784 0.002 . . . . . . A 13 ARG HD3 . 30749 1 108 . 1 . 1 13 13 ARG HE H 1 7.190 0.000 . . . . . . A 13 ARG HE . 30749 1 109 . 1 . 1 13 13 ARG CA C 13 59.946 0.000 . . . . . . A 13 ARG CA . 30749 1 110 . 1 . 1 13 13 ARG CB C 13 29.690 0.000 . . . . . . A 13 ARG CB . 30749 1 111 . 1 . 1 13 13 ARG CG C 13 27.367 0.000 . . . . . . A 13 ARG CG . 30749 1 112 . 1 . 1 13 13 ARG N N 15 119.906 0.000 . . . . . . A 13 ARG N . 30749 1 113 . 1 . 1 14 14 LEU H H 1 7.812 0.000 . . . . . . A 14 LEU H . 30749 1 114 . 1 . 1 14 14 LEU HA H 1 4.038 0.000 . . . . . . A 14 LEU HA . 30749 1 115 . 1 . 1 14 14 LEU HB2 H 1 1.729 0.000 . . . . . . A 14 LEU HB2 . 30749 1 116 . 1 . 1 14 14 LEU HB3 H 1 1.640 0.000 . . . . . . A 14 LEU HB3 . 30749 1 117 . 1 . 1 14 14 LEU HD11 H 1 0.860 0.000 . . . . . . A 14 LEU HD11 . 30749 1 118 . 1 . 1 14 14 LEU HD12 H 1 0.860 0.000 . . . . . . A 14 LEU HD12 . 30749 1 119 . 1 . 1 14 14 LEU HD13 H 1 0.860 0.000 . . . . . . A 14 LEU HD13 . 30749 1 120 . 1 . 1 14 14 LEU HD21 H 1 0.831 0.000 . . . . . . A 14 LEU HD21 . 30749 1 121 . 1 . 1 14 14 LEU HD22 H 1 0.831 0.000 . . . . . . A 14 LEU HD22 . 30749 1 122 . 1 . 1 14 14 LEU HD23 H 1 0.831 0.000 . . . . . . A 14 LEU HD23 . 30749 1 123 . 1 . 1 14 14 LEU CA C 13 57.894 0.000 . . . . . . A 14 LEU CA . 30749 1 124 . 1 . 1 14 14 LEU CD2 C 13 23.618 0.000 . . . . . . A 14 LEU CD2 . 30749 1 125 . 1 . 1 14 14 LEU N N 15 120.504 0.000 . . . . . . A 14 LEU N . 30749 1 126 . 1 . 1 15 15 ARG H H 1 8.041 0.000 . . . . . . A 15 ARG H . 30749 1 127 . 1 . 1 15 15 ARG HA H 1 4.038 0.000 . . . . . . A 15 ARG HA . 30749 1 128 . 1 . 1 15 15 ARG HB2 H 1 1.935 0.000 . . . . . . A 15 ARG HB2 . 30749 1 129 . 1 . 1 15 15 ARG HB3 H 1 1.935 0.000 . . . . . . A 15 ARG HB3 . 30749 1 130 . 1 . 1 15 15 ARG HG2 H 1 1.760 0.000 . . . . . . A 15 ARG HG2 . 30749 1 131 . 1 . 1 15 15 ARG HG3 H 1 1.633 0.000 . . . . . . A 15 ARG HG3 . 30749 1 132 . 1 . 1 15 15 ARG HD2 H 1 3.116 0.000 . . . . . . A 15 ARG HD2 . 30749 1 133 . 1 . 1 15 15 ARG HD3 H 1 3.116 0.000 . . . . . . A 15 ARG HD3 . 30749 1 134 . 1 . 1 15 15 ARG HE H 1 7.161 0.002 . . . . . . A 15 ARG HE . 30749 1 135 . 1 . 1 15 15 ARG CA C 13 57.871 0.000 . . . . . . A 15 ARG CA . 30749 1 136 . 1 . 1 15 15 ARG N N 15 119.003 0.000 . . . . . . A 15 ARG N . 30749 1 137 . 1 . 1 16 16 CYS H H 1 7.921 0.000 . . . . . . A 16 CYS H . 30749 1 138 . 1 . 1 16 16 CYS HA H 1 4.445 0.000 . . . . . . A 16 CYS HA . 30749 1 139 . 1 . 1 16 16 CYS HB2 H 1 3.312 0.000 . . . . . . A 16 CYS HB2 . 30749 1 140 . 1 . 1 16 16 CYS HB3 H 1 2.972 0.000 . . . . . . A 16 CYS HB3 . 30749 1 141 . 1 . 1 16 16 CYS CA C 13 56.590 0.000 . . . . . . A 16 CYS CA . 30749 1 142 . 1 . 1 16 16 CYS CB C 13 37.166 0.000 . . . . . . A 16 CYS CB . 30749 1 143 . 1 . 1 16 16 CYS N N 15 116.228 0.000 . . . . . . A 16 CYS N . 30749 1 144 . 1 . 1 17 17 GLN H H 1 7.653 0.000 . . . . . . A 17 GLN H . 30749 1 145 . 1 . 1 17 17 GLN HA H 1 3.997 0.000 . . . . . . A 17 GLN HA . 30749 1 146 . 1 . 1 17 17 GLN HB2 H 1 2.486 0.000 . . . . . . A 17 GLN HB2 . 30749 1 147 . 1 . 1 17 17 GLN HB3 H 1 2.486 0.000 . . . . . . A 17 GLN HB3 . 30749 1 148 . 1 . 1 17 17 GLN HG2 H 1 2.259 0.000 . . . . . . A 17 GLN HG2 . 30749 1 149 . 1 . 1 17 17 GLN HG3 H 1 2.205 0.000 . . . . . . A 17 GLN HG3 . 30749 1 150 . 1 . 1 17 17 GLN HE21 H 1 7.207 0.001 . . . . . . A 17 GLN HE21 . 30749 1 151 . 1 . 1 17 17 GLN HE22 H 1 6.718 0.001 . . . . . . A 17 GLN HE22 . 30749 1 152 . 1 . 1 17 17 GLN CA C 13 59.440 0.000 . . . . . . A 17 GLN CA . 30749 1 153 . 1 . 1 17 17 GLN N N 15 116.545 0.000 . . . . . . A 17 GLN N . 30749 1 154 . 1 . 1 18 18 VAL H H 1 7.583 0.000 . . . . . . A 18 VAL H . 30749 1 155 . 1 . 1 18 18 VAL HA H 1 4.059 0.000 . . . . . . A 18 VAL HA . 30749 1 156 . 1 . 1 18 18 VAL HB H 1 2.111 0.000 . . . . . . A 18 VAL HB . 30749 1 157 . 1 . 1 18 18 VAL HG21 H 1 0.928 0.000 . . . . . . A 18 VAL HG21 . 30749 1 158 . 1 . 1 18 18 VAL HG22 H 1 0.928 0.000 . . . . . . A 18 VAL HG22 . 30749 1 159 . 1 . 1 18 18 VAL HG23 H 1 0.928 0.000 . . . . . . A 18 VAL HG23 . 30749 1 160 . 1 . 1 18 18 VAL CA C 13 63.316 0.000 . . . . . . A 18 VAL CA . 30749 1 161 . 1 . 1 18 18 VAL CG1 C 13 20.933 0.000 . . . . . . A 18 VAL CG1 . 30749 1 162 . 1 . 1 18 18 VAL CG2 C 13 20.933 0.000 . . . . . . A 18 VAL CG2 . 30749 1 163 . 1 . 1 18 18 VAL N N 15 114.979 0.000 . . . . . . A 18 VAL N . 30749 1 164 . 1 . 1 19 19 ALA H H 1 8.179 0.000 . . . . . . A 19 ALA H . 30749 1 165 . 1 . 1 19 19 ALA HA H 1 4.269 0.000 . . . . . . A 19 ALA HA . 30749 1 166 . 1 . 1 19 19 ALA HB1 H 1 1.434 0.001 . . . . . . A 19 ALA HB1 . 30749 1 167 . 1 . 1 19 19 ALA HB2 H 1 1.434 0.001 . . . . . . A 19 ALA HB2 . 30749 1 168 . 1 . 1 19 19 ALA HB3 H 1 1.434 0.001 . . . . . . A 19 ALA HB3 . 30749 1 169 . 1 . 1 19 19 ALA CA C 13 56.383 0.000 . . . . . . A 19 ALA CA . 30749 1 170 . 1 . 1 19 19 ALA CB C 13 19.917 0.000 . . . . . . A 19 ALA CB . 30749 1 171 . 1 . 1 20 20 GLU H H 1 7.500 0.000 . . . . . . A 20 GLU H . 30749 1 172 . 1 . 1 20 20 GLU HA H 1 4.617 0.000 . . . . . . A 20 GLU HA . 30749 1 173 . 1 . 1 20 20 GLU HB2 H 1 2.070 0.000 . . . . . . A 20 GLU HB2 . 30749 1 174 . 1 . 1 20 20 GLU HB3 H 1 1.878 0.000 . . . . . . A 20 GLU HB3 . 30749 1 175 . 1 . 1 20 20 GLU HG2 H 1 2.455 0.000 . . . . . . A 20 GLU HG2 . 30749 1 176 . 1 . 1 20 20 GLU HG3 H 1 2.298 0.000 . . . . . . A 20 GLU HG3 . 30749 1 177 . 1 . 1 20 20 GLU CA C 13 54.019 0.000 . . . . . . A 20 GLU CA . 30749 1 178 . 1 . 1 20 20 GLU CB C 13 32.530 0.000 . . . . . . A 20 GLU CB . 30749 1 179 . 1 . 1 20 20 GLU N N 15 114.099 0.000 . . . . . . A 20 GLU N . 30749 1 180 . 1 . 1 21 21 ARG H H 1 8.463 0.000 . . . . . . A 21 ARG H . 30749 1 181 . 1 . 1 21 21 ARG HA H 1 4.379 0.000 . . . . . . A 21 ARG HA . 30749 1 182 . 1 . 1 21 21 ARG HB2 H 1 1.571 0.000 . . . . . . A 21 ARG HB2 . 30749 1 183 . 1 . 1 21 21 ARG HB3 H 1 1.571 0.000 . . . . . . A 21 ARG HB3 . 30749 1 184 . 1 . 1 21 21 ARG HG2 H 1 1.832 0.000 . . . . . . A 21 ARG HG2 . 30749 1 185 . 1 . 1 21 21 ARG HG3 H 1 1.713 0.001 . . . . . . A 21 ARG HG3 . 30749 1 186 . 1 . 1 21 21 ARG HD2 H 1 3.154 0.000 . . . . . . A 21 ARG HD2 . 30749 1 187 . 1 . 1 21 21 ARG HD3 H 1 3.154 0.000 . . . . . . A 21 ARG HD3 . 30749 1 188 . 1 . 1 21 21 ARG HE H 1 7.172 0.000 . . . . . . A 21 ARG HE . 30749 1 189 . 1 . 1 21 21 ARG CA C 13 55.802 0.000 . . . . . . A 21 ARG CA . 30749 1 190 . 1 . 1 21 21 ARG CB C 13 31.074 0.000 . . . . . . A 21 ARG CB . 30749 1 191 . 1 . 1 21 21 ARG N N 15 121.296 0.000 . . . . . . A 21 ARG N . 30749 1 192 . 1 . 1 22 22 GLY H H 1 8.340 0.000 . . . . . . A 22 GLY H . 30749 1 193 . 1 . 1 22 22 GLY HA2 H 1 4.248 0.000 . . . . . . A 22 GLY HA2 . 30749 1 194 . 1 . 1 22 22 GLY HA3 H 1 3.918 0.000 . . . . . . A 22 GLY HA3 . 30749 1 195 . 1 . 1 22 22 GLY CA C 13 44.349 0.000 . . . . . . A 22 GLY CA . 30749 1 196 . 1 . 1 22 22 GLY N N 15 110.668 0.000 . . . . . . A 22 GLY N . 30749 1 197 . 1 . 1 23 23 VAL H H 1 8.427 0.000 . . . . . . A 23 VAL H . 30749 1 198 . 1 . 1 23 23 VAL HA H 1 3.694 0.000 . . . . . . A 23 VAL HA . 30749 1 199 . 1 . 1 23 23 VAL HB H 1 2.021 0.000 . . . . . . A 23 VAL HB . 30749 1 200 . 1 . 1 23 23 VAL HG21 H 1 0.941 0.000 . . . . . . A 23 VAL HG21 . 30749 1 201 . 1 . 1 23 23 VAL HG22 H 1 0.941 0.000 . . . . . . A 23 VAL HG22 . 30749 1 202 . 1 . 1 23 23 VAL HG23 H 1 0.941 0.000 . . . . . . A 23 VAL HG23 . 30749 1 203 . 1 . 1 23 23 VAL CA C 13 66.152 0.000 . . . . . . A 23 VAL CA . 30749 1 204 . 1 . 1 23 23 VAL CB C 13 31.756 0.000 . . . . . . A 23 VAL CB . 30749 1 205 . 1 . 1 23 23 VAL CG1 C 13 21.576 0.000 . . . . . . A 23 VAL CG1 . 30749 1 206 . 1 . 1 23 23 VAL CG2 C 13 20.568 0.000 . . . . . . A 23 VAL CG2 . 30749 1 207 . 1 . 1 23 23 VAL N N 15 122.352 0.000 . . . . . . A 23 VAL N . 30749 1 208 . 1 . 1 24 24 GLU H H 1 8.637 0.000 . . . . . . A 24 GLU H . 30749 1 209 . 1 . 1 24 24 GLU HA H 1 4.049 0.000 . . . . . . A 24 GLU HA . 30749 1 210 . 1 . 1 24 24 GLU HB2 H 1 2.046 0.000 . . . . . . A 24 GLU HB2 . 30749 1 211 . 1 . 1 24 24 GLU HB3 H 1 1.974 0.000 . . . . . . A 24 GLU HB3 . 30749 1 212 . 1 . 1 24 24 GLU HG2 H 1 2.383 0.000 . . . . . . A 24 GLU HG2 . 30749 1 213 . 1 . 1 24 24 GLU HG3 H 1 2.383 0.000 . . . . . . A 24 GLU HG3 . 30749 1 214 . 1 . 1 24 24 GLU CA C 13 58.263 0.000 . . . . . . A 24 GLU CA . 30749 1 215 . 1 . 1 24 24 GLU CG C 13 31.869 0.000 . . . . . . A 24 GLU CG . 30749 1 216 . 1 . 1 24 24 GLU N N 15 120.170 0.000 . . . . . . A 24 GLU N . 30749 1 217 . 1 . 1 25 25 GLN H H 1 8.321 0.000 . . . . . . A 25 GLN H . 30749 1 218 . 1 . 1 25 25 GLN HA H 1 3.959 0.000 . . . . . . A 25 GLN HA . 30749 1 219 . 1 . 1 25 25 GLN HB2 H 1 2.093 0.000 . . . . . . A 25 GLN HB2 . 30749 1 220 . 1 . 1 25 25 GLN HB3 H 1 2.093 0.000 . . . . . . A 25 GLN HB3 . 30749 1 221 . 1 . 1 25 25 GLN HG2 H 1 2.541 0.000 . . . . . . A 25 GLN HG2 . 30749 1 222 . 1 . 1 25 25 GLN HG3 H 1 2.449 0.000 . . . . . . A 25 GLN HG3 . 30749 1 223 . 1 . 1 25 25 GLN HE21 H 1 7.559 0.002 . . . . . . A 25 GLN HE21 . 30749 1 224 . 1 . 1 25 25 GLN HE22 H 1 6.882 0.001 . . . . . . A 25 GLN HE22 . 30749 1 225 . 1 . 1 25 25 GLN CA C 13 59.025 0.000 . . . . . . A 25 GLN CA . 30749 1 226 . 1 . 1 25 25 GLN CB C 13 32.734 0.000 . . . . . . A 25 GLN CB . 30749 1 227 . 1 . 1 25 25 GLN CG C 13 34.503 0.000 . . . . . . A 25 GLN CG . 30749 1 228 . 1 . 1 25 25 GLN N N 15 119.096 0.000 . . . . . . A 25 GLN N . 30749 1 229 . 1 . 1 26 26 GLN H H 1 8.402 0.000 . . . . . . A 26 GLN H . 30749 1 230 . 1 . 1 26 26 GLN HA H 1 3.732 0.000 . . . . . . A 26 GLN HA . 30749 1 231 . 1 . 1 26 26 GLN HB2 H 1 2.352 0.000 . . . . . . A 26 GLN HB2 . 30749 1 232 . 1 . 1 26 26 GLN HB3 H 1 2.352 0.000 . . . . . . A 26 GLN HB3 . 30749 1 233 . 1 . 1 26 26 GLN HG2 H 1 2.434 0.000 . . . . . . A 26 GLN HG2 . 30749 1 234 . 1 . 1 26 26 GLN HG3 H 1 2.434 0.000 . . . . . . A 26 GLN HG3 . 30749 1 235 . 1 . 1 26 26 GLN HE21 H 1 7.439 0.000 . . . . . . A 26 GLN HE21 . 30749 1 236 . 1 . 1 26 26 GLN HE22 H 1 6.761 0.001 . . . . . . A 26 GLN HE22 . 30749 1 237 . 1 . 1 26 26 GLN CA C 13 60.183 0.000 . . . . . . A 26 GLN CA . 30749 1 238 . 1 . 1 26 26 GLN N N 15 120.855 0.000 . . . . . . A 26 GLN N . 30749 1 239 . 1 . 1 27 27 ARG H H 1 8.342 0.000 . . . . . . A 27 ARG H . 30749 1 240 . 1 . 1 27 27 ARG HA H 1 4.007 0.000 . . . . . . A 27 ARG HA . 30749 1 241 . 1 . 1 27 27 ARG HB2 H 1 1.908 0.000 . . . . . . A 27 ARG HB2 . 30749 1 242 . 1 . 1 27 27 ARG HB3 H 1 1.787 0.001 . . . . . . A 27 ARG HB3 . 30749 1 243 . 1 . 1 27 27 ARG HG2 H 1 1.609 0.000 . . . . . . A 27 ARG HG2 . 30749 1 244 . 1 . 1 27 27 ARG HG3 H 1 1.609 0.000 . . . . . . A 27 ARG HG3 . 30749 1 245 . 1 . 1 27 27 ARG HD2 H 1 3.150 0.000 . . . . . . A 27 ARG HD2 . 30749 1 246 . 1 . 1 27 27 ARG HD3 H 1 3.150 0.000 . . . . . . A 27 ARG HD3 . 30749 1 247 . 1 . 1 27 27 ARG HE H 1 7.246 0.001 . . . . . . A 27 ARG HE . 30749 1 248 . 1 . 1 27 27 ARG CA C 13 57.917 0.000 . . . . . . A 27 ARG CA . 30749 1 249 . 1 . 1 27 27 ARG N N 15 119.659 0.000 . . . . . . A 27 ARG N . 30749 1 250 . 1 . 1 28 28 LYS H H 1 7.917 0.000 . . . . . . A 28 LYS H . 30749 1 251 . 1 . 1 28 28 LYS HA H 1 4.045 0.000 . . . . . . A 28 LYS HA . 30749 1 252 . 1 . 1 28 28 LYS HB2 H 1 1.849 0.000 . . . . . . A 28 LYS HB2 . 30749 1 253 . 1 . 1 28 28 LYS HB3 H 1 1.849 0.000 . . . . . . A 28 LYS HB3 . 30749 1 254 . 1 . 1 28 28 LYS HG2 H 1 1.551 0.000 . . . . . . A 28 LYS HG2 . 30749 1 255 . 1 . 1 28 28 LYS HG3 H 1 1.437 0.000 . . . . . . A 28 LYS HG3 . 30749 1 256 . 1 . 1 28 28 LYS CA C 13 59.232 0.000 . . . . . . A 28 LYS CA . 30749 1 257 . 1 . 1 28 28 LYS CB C 13 29.422 0.000 . . . . . . A 28 LYS CB . 30749 1 258 . 1 . 1 28 28 LYS CG C 13 25.023 0.000 . . . . . . A 28 LYS CG . 30749 1 259 . 1 . 1 28 28 LYS N N 15 120.135 0.000 . . . . . . A 28 LYS N . 30749 1 260 . 1 . 1 29 29 CYS H H 1 7.766 0.000 . . . . . . A 29 CYS H . 30749 1 261 . 1 . 1 29 29 CYS HA H 1 4.228 0.000 . . . . . . A 29 CYS HA . 30749 1 262 . 1 . 1 29 29 CYS HB2 H 1 3.443 0.000 . . . . . . A 29 CYS HB2 . 30749 1 263 . 1 . 1 29 29 CYS HB3 H 1 3.010 0.000 . . . . . . A 29 CYS HB3 . 30749 1 264 . 1 . 1 29 29 CYS CA C 13 59.740 0.000 . . . . . . A 29 CYS CA . 30749 1 265 . 1 . 1 29 29 CYS CB C 13 35.245 0.000 . . . . . . A 29 CYS CB . 30749 1 266 . 1 . 1 30 30 GLU H H 1 8.584 0.000 . . . . . . A 30 GLU H . 30749 1 267 . 1 . 1 30 30 GLU HA H 1 3.670 0.000 . . . . . . A 30 GLU HA . 30749 1 268 . 1 . 1 30 30 GLU HB2 H 1 2.235 0.001 . . . . . . A 30 GLU HB2 . 30749 1 269 . 1 . 1 30 30 GLU HB3 H 1 2.136 0.000 . . . . . . A 30 GLU HB3 . 30749 1 270 . 1 . 1 30 30 GLU HG2 H 1 2.644 0.000 . . . . . . A 30 GLU HG2 . 30749 1 271 . 1 . 1 30 30 GLU HG3 H 1 2.644 0.000 . . . . . . A 30 GLU HG3 . 30749 1 272 . 1 . 1 30 30 GLU CA C 13 59.537 0.000 . . . . . . A 30 GLU CA . 30749 1 273 . 1 . 1 30 30 GLU CG C 13 34.732 0.000 . . . . . . A 30 GLU CG . 30749 1 274 . 1 . 1 30 30 GLU N N 15 120.662 0.000 . . . . . . A 30 GLU N . 30749 1 275 . 1 . 1 31 31 GLN H H 1 8.217 0.000 . . . . . . A 31 GLN H . 30749 1 276 . 1 . 1 31 31 GLN HA H 1 4.107 0.000 . . . . . . A 31 GLN HA . 30749 1 277 . 1 . 1 31 31 GLN HB2 H 1 2.207 0.000 . . . . . . A 31 GLN HB2 . 30749 1 278 . 1 . 1 31 31 GLN HB3 H 1 2.207 0.000 . . . . . . A 31 GLN HB3 . 30749 1 279 . 1 . 1 31 31 GLN HG2 H 1 2.286 0.000 . . . . . . A 31 GLN HG2 . 30749 1 280 . 1 . 1 31 31 GLN HG3 H 1 2.286 0.000 . . . . . . A 31 GLN HG3 . 30749 1 281 . 1 . 1 31 31 GLN CA C 13 59.048 0.000 . . . . . . A 31 GLN CA . 30749 1 282 . 1 . 1 31 31 GLN CB C 13 32.066 0.000 . . . . . . A 31 GLN CB . 30749 1 283 . 1 . 1 31 31 GLN N N 15 121.366 0.000 . . . . . . A 31 GLN N . 30749 1 284 . 1 . 1 32 32 VAL H H 1 7.764 0.000 . . . . . . A 32 VAL H . 30749 1 285 . 1 . 1 32 32 VAL HA H 1 3.749 0.000 . . . . . . A 32 VAL HA . 30749 1 286 . 1 . 1 32 32 VAL HB H 1 2.359 0.000 . . . . . . A 32 VAL HB . 30749 1 287 . 1 . 1 32 32 VAL HG21 H 1 0.940 0.000 . . . . . . A 32 VAL HG21 . 30749 1 288 . 1 . 1 32 32 VAL HG22 H 1 0.940 0.000 . . . . . . A 32 VAL HG22 . 30749 1 289 . 1 . 1 32 32 VAL HG23 H 1 0.940 0.000 . . . . . . A 32 VAL HG23 . 30749 1 290 . 1 . 1 32 32 VAL CA C 13 66.741 0.000 . . . . . . A 32 VAL CA . 30749 1 291 . 1 . 1 32 32 VAL CG1 C 13 22.391 0.000 . . . . . . A 32 VAL CG1 . 30749 1 292 . 1 . 1 32 32 VAL CG2 C 13 21.233 0.000 . . . . . . A 32 VAL CG2 . 30749 1 293 . 1 . 1 32 32 VAL N N 15 121.947 0.000 . . . . . . A 32 VAL N . 30749 1 294 . 1 . 1 33 33 CYS H H 1 7.882 0.000 . . . . . . A 33 CYS H . 30749 1 295 . 1 . 1 33 33 CYS HA H 1 4.383 0.000 . . . . . . A 33 CYS HA . 30749 1 296 . 1 . 1 33 33 CYS HB2 H 1 3.272 0.001 . . . . . . A 33 CYS HB2 . 30749 1 297 . 1 . 1 33 33 CYS HB3 H 1 3.168 0.000 . . . . . . A 33 CYS HB3 . 30749 1 298 . 1 . 1 33 33 CYS CA C 13 57.045 0.000 . . . . . . A 33 CYS CA . 30749 1 299 . 1 . 1 33 33 CYS CB C 13 36.237 0.000 . . . . . . A 33 CYS CB . 30749 1 300 . 1 . 1 33 33 CYS N N 15 117.108 0.000 . . . . . . A 33 CYS N . 30749 1 301 . 1 . 1 34 34 GLU H H 1 8.398 0.000 . . . . . . A 34 GLU H . 30749 1 302 . 1 . 1 34 34 GLU HA H 1 4.035 0.000 . . . . . . A 34 GLU HA . 30749 1 303 . 1 . 1 34 34 GLU HB2 H 1 2.341 0.000 . . . . . . A 34 GLU HB2 . 30749 1 304 . 1 . 1 34 34 GLU HB3 H 1 2.225 0.000 . . . . . . A 34 GLU HB3 . 30749 1 305 . 1 . 1 34 34 GLU HG2 H 1 2.510 0.000 . . . . . . A 34 GLU HG2 . 30749 1 306 . 1 . 1 34 34 GLU HG3 H 1 2.510 0.000 . . . . . . A 34 GLU HG3 . 30749 1 307 . 1 . 1 34 34 GLU CA C 13 59.301 0.000 . . . . . . A 34 GLU CA . 30749 1 308 . 1 . 1 35 35 GLU H H 1 8.199 0.000 . . . . . . A 35 GLU H . 30749 1 309 . 1 . 1 35 35 GLU HA H 1 4.228 0.000 . . . . . . A 35 GLU HA . 30749 1 310 . 1 . 1 35 35 GLU HB2 H 1 2.517 0.000 . . . . . . A 35 GLU HB2 . 30749 1 311 . 1 . 1 35 35 GLU HB3 H 1 2.517 0.000 . . . . . . A 35 GLU HB3 . 30749 1 312 . 1 . 1 35 35 GLU HG2 H 1 2.074 0.000 . . . . . . A 35 GLU HG2 . 30749 1 313 . 1 . 1 35 35 GLU HG3 H 1 2.074 0.000 . . . . . . A 35 GLU HG3 . 30749 1 314 . 1 . 1 35 35 GLU CA C 13 56.948 0.000 . . . . . . A 35 GLU CA . 30749 1 315 . 1 . 1 35 35 GLU N N 15 118.217 0.000 . . . . . . A 35 GLU N . 30749 1 316 . 1 . 1 36 36 ARG H H 1 8.042 0.000 . . . . . . A 36 ARG H . 30749 1 317 . 1 . 1 36 36 ARG HA H 1 4.221 0.000 . . . . . . A 36 ARG HA . 30749 1 318 . 1 . 1 36 36 ARG HB2 H 1 2.008 0.000 . . . . . . A 36 ARG HB2 . 30749 1 319 . 1 . 1 36 36 ARG HB3 H 1 1.918 0.001 . . . . . . A 36 ARG HB3 . 30749 1 320 . 1 . 1 36 36 ARG HG2 H 1 1.826 0.000 . . . . . . A 36 ARG HG2 . 30749 1 321 . 1 . 1 36 36 ARG HG3 H 1 1.730 0.000 . . . . . . A 36 ARG HG3 . 30749 1 322 . 1 . 1 36 36 ARG HD2 H 1 3.254 0.000 . . . . . . A 36 ARG HD2 . 30749 1 323 . 1 . 1 36 36 ARG HD3 H 1 3.150 0.000 . . . . . . A 36 ARG HD3 . 30749 1 324 . 1 . 1 36 36 ARG HE H 1 7.523 0.000 . . . . . . A 36 ARG HE . 30749 1 325 . 1 . 1 36 36 ARG CA C 13 57.456 0.000 . . . . . . A 36 ARG CA . 30749 1 326 . 1 . 1 36 36 ARG N N 15 119.207 0.000 . . . . . . A 36 ARG N . 30749 1 327 . 1 . 1 37 37 LEU H H 1 7.630 0.000 . . . . . . A 37 LEU H . 30749 1 328 . 1 . 1 37 37 LEU HA H 1 4.266 0.000 . . . . . . A 37 LEU HA . 30749 1 329 . 1 . 1 37 37 LEU HB2 H 1 1.450 0.000 . . . . . . A 37 LEU HB2 . 30749 1 330 . 1 . 1 37 37 LEU HB3 H 1 1.318 0.000 . . . . . . A 37 LEU HB3 . 30749 1 331 . 1 . 1 37 37 LEU HG H 1 1.853 0.000 . . . . . . A 37 LEU HG . 30749 1 332 . 1 . 1 37 37 LEU HD11 H 1 0.681 0.000 . . . . . . A 37 LEU HD11 . 30749 1 333 . 1 . 1 37 37 LEU HD12 H 1 0.681 0.000 . . . . . . A 37 LEU HD12 . 30749 1 334 . 1 . 1 37 37 LEU HD13 H 1 0.681 0.000 . . . . . . A 37 LEU HD13 . 30749 1 335 . 1 . 1 37 37 LEU HD21 H 1 0.305 0.000 . . . . . . A 37 LEU HD21 . 30749 1 336 . 1 . 1 37 37 LEU HD22 H 1 0.305 0.000 . . . . . . A 37 LEU HD22 . 30749 1 337 . 1 . 1 37 37 LEU HD23 H 1 0.305 0.000 . . . . . . A 37 LEU HD23 . 30749 1 338 . 1 . 1 37 37 LEU CA C 13 56.487 0.000 . . . . . . A 37 LEU CA . 30749 1 339 . 1 . 1 37 37 LEU CG C 13 26.802 0.000 . . . . . . A 37 LEU CG . 30749 1 340 . 1 . 1 37 37 LEU CD2 C 13 24.406 0.000 . . . . . . A 37 LEU CD2 . 30749 1 341 . 1 . 1 37 37 LEU N N 15 120.821 0.000 . . . . . . A 37 LEU N . 30749 1 342 . 1 . 1 38 38 ARG H H 1 8.234 0.000 . . . . . . A 38 ARG H . 30749 1 343 . 1 . 1 38 38 ARG HA H 1 4.045 0.000 . . . . . . A 38 ARG HA . 30749 1 344 . 1 . 1 38 38 ARG HB2 H 1 1.956 0.000 . . . . . . A 38 ARG HB2 . 30749 1 345 . 1 . 1 38 38 ARG HB3 H 1 1.956 0.000 . . . . . . A 38 ARG HB3 . 30749 1 346 . 1 . 1 38 38 ARG HG2 H 1 1.801 0.001 . . . . . . A 38 ARG HG2 . 30749 1 347 . 1 . 1 38 38 ARG HG3 H 1 1.730 0.000 . . . . . . A 38 ARG HG3 . 30749 1 348 . 1 . 1 38 38 ARG HD2 H 1 3.171 0.000 . . . . . . A 38 ARG HD2 . 30749 1 349 . 1 . 1 38 38 ARG HD3 H 1 3.171 0.000 . . . . . . A 38 ARG HD3 . 30749 1 350 . 1 . 1 38 38 ARG HE H 1 7.302 0.000 . . . . . . A 38 ARG HE . 30749 1 351 . 1 . 1 38 38 ARG CA C 13 57.848 0.000 . . . . . . A 38 ARG CA . 30749 1 352 . 1 . 1 38 38 ARG N N 15 118.709 0.000 . . . . . . A 38 ARG N . 30749 1 353 . 1 . 1 39 39 GLU H H 1 8.360 0.000 . . . . . . A 39 GLU H . 30749 1 354 . 1 . 1 39 39 GLU HA H 1 4.031 0.000 . . . . . . A 39 GLU HA . 30749 1 355 . 1 . 1 39 39 GLU HB2 H 1 2.274 0.000 . . . . . . A 39 GLU HB2 . 30749 1 356 . 1 . 1 39 39 GLU HB3 H 1 2.177 0.000 . . . . . . A 39 GLU HB3 . 30749 1 357 . 1 . 1 39 39 GLU HG2 H 1 2.551 0.000 . . . . . . A 39 GLU HG2 . 30749 1 358 . 1 . 1 39 39 GLU HG3 H 1 2.493 0.000 . . . . . . A 39 GLU HG3 . 30749 1 359 . 1 . 1 39 39 GLU CA C 13 58.863 0.000 . . . . . . A 39 GLU CA . 30749 1 360 . 1 . 1 39 39 GLU N N 15 121.067 0.000 . . . . . . A 39 GLU N . 30749 1 361 . 1 . 1 40 40 ARG H H 1 8.009 0.000 . . . . . . A 40 ARG H . 30749 1 362 . 1 . 1 40 40 ARG HA H 1 3.966 0.000 . . . . . . A 40 ARG HA . 30749 1 363 . 1 . 1 40 40 ARG HB2 H 1 1.873 0.000 . . . . . . A 40 ARG HB2 . 30749 1 364 . 1 . 1 40 40 ARG HB3 H 1 1.733 0.001 . . . . . . A 40 ARG HB3 . 30749 1 365 . 1 . 1 40 40 ARG HG2 H 1 1.568 0.000 . . . . . . A 40 ARG HG2 . 30749 1 366 . 1 . 1 40 40 ARG HG3 H 1 1.568 0.000 . . . . . . A 40 ARG HG3 . 30749 1 367 . 1 . 1 40 40 ARG HD2 H 1 3.164 0.000 . . . . . . A 40 ARG HD2 . 30749 1 368 . 1 . 1 40 40 ARG HD3 H 1 3.164 0.000 . . . . . . A 40 ARG HD3 . 30749 1 369 . 1 . 1 40 40 ARG HE H 1 7.282 0.000 . . . . . . A 40 ARG HE . 30749 1 370 . 1 . 1 40 40 ARG CA C 13 59.048 0.000 . . . . . . A 40 ARG CA . 30749 1 371 . 1 . 1 40 40 ARG N N 15 118.111 0.000 . . . . . . A 40 ARG N . 30749 1 372 . 1 . 1 41 41 GLU H H 1 7.968 0.000 . . . . . . A 41 GLU H . 30749 1 373 . 1 . 1 41 41 GLU HA H 1 4.052 0.000 . . . . . . A 41 GLU HA . 30749 1 374 . 1 . 1 41 41 GLU HB2 H 1 2.624 0.000 . . . . . . A 41 GLU HB2 . 30749 1 375 . 1 . 1 41 41 GLU HB3 H 1 2.438 0.000 . . . . . . A 41 GLU HB3 . 30749 1 376 . 1 . 1 41 41 GLU HG2 H 1 2.177 0.000 . . . . . . A 41 GLU HG2 . 30749 1 377 . 1 . 1 41 41 GLU HG3 H 1 2.177 0.000 . . . . . . A 41 GLU HG3 . 30749 1 378 . 1 . 1 41 41 GLU CA C 13 58.817 0.000 . . . . . . A 41 GLU CA . 30749 1 379 . 1 . 1 41 41 GLU CB C 13 33.873 0.000 . . . . . . A 41 GLU CB . 30749 1 380 . 1 . 1 41 41 GLU N N 15 117.654 0.000 . . . . . . A 41 GLU N . 30749 1 381 . 1 . 1 42 42 GLN H H 1 7.919 0.000 . . . . . . A 42 GLN H . 30749 1 382 . 1 . 1 42 42 GLN HA H 1 4.272 0.000 . . . . . . A 42 GLN HA . 30749 1 383 . 1 . 1 42 42 GLN HB2 H 1 2.153 0.001 . . . . . . A 42 GLN HB2 . 30749 1 384 . 1 . 1 42 42 GLN HB3 H 1 2.067 0.000 . . . . . . A 42 GLN HB3 . 30749 1 385 . 1 . 1 42 42 GLN HG2 H 1 2.428 0.000 . . . . . . A 42 GLN HG2 . 30749 1 386 . 1 . 1 42 42 GLN HG3 H 1 2.428 0.000 . . . . . . A 42 GLN HG3 . 30749 1 387 . 1 . 1 42 42 GLN CA C 13 53.492 0.000 . . . . . . A 42 GLN CA . 30749 1 388 . 1 . 1 42 42 GLN N N 15 118.332 0.000 . . . . . . A 42 GLN N . 30749 1 389 . 1 . 1 43 43 GLY H H 1 8.168 0.000 . . . . . . A 43 GLY H . 30749 1 390 . 1 . 1 43 43 GLY HA2 H 1 3.980 0.000 . . . . . . A 43 GLY HA2 . 30749 1 391 . 1 . 1 43 43 GLY HA3 H 1 3.918 0.000 . . . . . . A 43 GLY HA3 . 30749 1 392 . 1 . 1 43 43 GLY CA C 13 45.500 0.000 . . . . . . A 43 GLY CA . 30749 1 393 . 1 . 1 43 43 GLY N N 15 108.662 0.000 . . . . . . A 43 GLY N . 30749 1 394 . 1 . 1 44 44 ARG H H 1 8.130 0.000 . . . . . . A 44 ARG H . 30749 1 395 . 1 . 1 44 44 ARG HA H 1 4.376 0.000 . . . . . . A 44 ARG HA . 30749 1 396 . 1 . 1 44 44 ARG HB2 H 1 1.887 0.000 . . . . . . A 44 ARG HB2 . 30749 1 397 . 1 . 1 44 44 ARG HB3 H 1 1.732 0.000 . . . . . . A 44 ARG HB3 . 30749 1 398 . 1 . 1 44 44 ARG HG2 H 1 1.613 0.000 . . . . . . A 44 ARG HG2 . 30749 1 399 . 1 . 1 44 44 ARG HG3 H 1 1.613 0.000 . . . . . . A 44 ARG HG3 . 30749 1 400 . 1 . 1 44 44 ARG HD2 H 1 3.178 0.000 . . . . . . A 44 ARG HD2 . 30749 1 401 . 1 . 1 44 44 ARG HD3 H 1 3.178 0.000 . . . . . . A 44 ARG HD3 . 30749 1 402 . 1 . 1 44 44 ARG HE H 1 7.193 0.000 . . . . . . A 44 ARG HE . 30749 1 403 . 1 . 1 44 44 ARG CA C 13 55.802 0.000 . . . . . . A 44 ARG CA . 30749 1 404 . 1 . 1 44 44 ARG N N 15 119.941 0.000 . . . . . . A 44 ARG N . 30749 1 405 . 1 . 1 45 45 GLY H H 1 8.428 0.000 . . . . . . A 45 GLY H . 30749 1 406 . 1 . 1 45 45 GLY HA2 H 1 3.904 0.000 . . . . . . A 45 GLY HA2 . 30749 1 407 . 1 . 1 45 45 GLY HA3 H 1 3.904 0.000 . . . . . . A 45 GLY HA3 . 30749 1 408 . 1 . 1 45 45 GLY CA C 13 45.273 0.000 . . . . . . A 45 GLY CA . 30749 1 409 . 1 . 1 45 45 GLY N N 15 109.472 0.000 . . . . . . A 45 GLY N . 30749 1 410 . 1 . 1 46 46 GLU H H 1 8.197 0.000 . . . . . . A 46 GLU H . 30749 1 411 . 1 . 1 46 46 GLU HA H 1 4.321 0.000 . . . . . . A 46 GLU HA . 30749 1 412 . 1 . 1 46 46 GLU HB2 H 1 1.911 0.000 . . . . . . A 46 GLU HB2 . 30749 1 413 . 1 . 1 46 46 GLU HB3 H 1 1.911 0.000 . . . . . . A 46 GLU HB3 . 30749 1 414 . 1 . 1 46 46 GLU HG2 H 1 2.366 0.000 . . . . . . A 46 GLU HG2 . 30749 1 415 . 1 . 1 46 46 GLU HG3 H 1 2.366 0.000 . . . . . . A 46 GLU HG3 . 30749 1 416 . 1 . 1 46 46 GLU CA C 13 55.711 0.000 . . . . . . A 46 GLU CA . 30749 1 417 . 1 . 1 46 46 GLU N N 15 119.167 0.000 . . . . . . A 46 GLU N . 30749 1 418 . 1 . 1 47 47 ASP H H 1 8.477 0.000 . . . . . . A 47 ASP H . 30749 1 419 . 1 . 1 47 47 ASP HA H 1 4.668 0.000 . . . . . . A 47 ASP HA . 30749 1 420 . 1 . 1 47 47 ASP HB2 H 1 2.841 0.000 . . . . . . A 47 ASP HB2 . 30749 1 421 . 1 . 1 47 47 ASP HB3 H 1 2.718 0.000 . . . . . . A 47 ASP HB3 . 30749 1 422 . 1 . 1 47 47 ASP CA C 13 53.337 0.000 . . . . . . A 47 ASP CA . 30749 1 423 . 1 . 1 47 47 ASP CB C 13 33.829 0.000 . . . . . . A 47 ASP CB . 30749 1 424 . 1 . 1 47 47 ASP N N 15 120.170 0.000 . . . . . . A 47 ASP N . 30749 1 425 . 1 . 1 48 48 VAL H H 1 7.980 0.000 . . . . . . A 48 VAL H . 30749 1 426 . 1 . 1 48 48 VAL HA H 1 4.118 0.000 . . . . . . A 48 VAL HA . 30749 1 427 . 1 . 1 48 48 VAL HB H 1 2.073 0.000 . . . . . . A 48 VAL HB . 30749 1 428 . 1 . 1 48 48 VAL HG21 H 1 0.859 0.001 . . . . . . A 48 VAL HG21 . 30749 1 429 . 1 . 1 48 48 VAL HG22 H 1 0.859 0.001 . . . . . . A 48 VAL HG22 . 30749 1 430 . 1 . 1 48 48 VAL HG23 H 1 0.859 0.001 . . . . . . A 48 VAL HG23 . 30749 1 431 . 1 . 1 48 48 VAL CA C 13 61.960 0.000 . . . . . . A 48 VAL CA . 30749 1 432 . 1 . 1 48 48 VAL CB C 13 31.735 0.000 . . . . . . A 48 VAL CB . 30749 1 433 . 1 . 1 48 48 VAL CG1 C 13 21.018 0.000 . . . . . . A 48 VAL CG1 . 30749 1 434 . 1 . 1 48 48 VAL CG2 C 13 19.882 0.000 . . . . . . A 48 VAL CG2 . 30749 1 435 . 1 . 1 48 48 VAL N N 15 119.149 0.000 . . . . . . A 48 VAL N . 30749 1 436 . 1 . 1 49 49 ASP H H 1 8.150 0.000 . . . . . . A 49 ASP H . 30749 1 437 . 1 . 1 49 49 ASP HA H 1 4.513 0.000 . . . . . . A 49 ASP HA . 30749 1 438 . 1 . 1 49 49 ASP HB2 H 1 2.816 0.000 . . . . . . A 49 ASP HB2 . 30749 1 439 . 1 . 1 49 49 ASP HB3 H 1 2.756 0.000 . . . . . . A 49 ASP HB3 . 30749 1 440 . 1 . 1 49 49 ASP CA C 13 53.410 0.000 . . . . . . A 49 ASP CA . 30749 1 441 . 1 . 1 49 49 ASP CB C 13 39.491 0.000 . . . . . . A 49 ASP CB . 30749 1 stop_ save_