################################### # 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_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 10028 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 '3D 13C-separated NOESY' 1 $sample_1 isotropic 10028 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10028 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 6 6 SER HA H 1 4.571 0.030 . 1 . . . . 6 SER HA . 10028 1 2 . 1 1 6 6 SER CA C 13 58.360 0.300 . 1 . . . . 6 SER CA . 10028 1 3 . 1 1 6 6 SER CB C 13 63.964 0.300 . 1 . . . . 6 SER CB . 10028 1 4 . 1 1 7 7 GLY H H 1 8.411 0.030 . 1 . . . . 7 GLY H . 10028 1 5 . 1 1 7 7 GLY HA2 H 1 4.085 0.030 . 2 . . . . 7 GLY HA2 . 10028 1 6 . 1 1 7 7 GLY HA3 H 1 4.209 0.030 . 2 . . . . 7 GLY HA3 . 10028 1 7 . 1 1 7 7 GLY CA C 13 44.793 0.300 . 1 . . . . 7 GLY CA . 10028 1 8 . 1 1 7 7 GLY N N 15 111.496 0.300 . 1 . . . . 7 GLY N . 10028 1 9 . 1 1 8 8 PRO HA H 1 4.378 0.030 . 1 . . . . 8 PRO HA . 10028 1 10 . 1 1 8 8 PRO HB2 H 1 1.919 0.030 . 2 . . . . 8 PRO HB2 . 10028 1 11 . 1 1 8 8 PRO HB3 H 1 2.280 0.030 . 2 . . . . 8 PRO HB3 . 10028 1 12 . 1 1 8 8 PRO HG2 H 1 1.994 0.030 . 1 . . . . 8 PRO HG2 . 10028 1 13 . 1 1 8 8 PRO HG3 H 1 1.994 0.030 . 1 . . . . 8 PRO HG3 . 10028 1 14 . 1 1 8 8 PRO HD2 H 1 3.625 0.030 . 1 . . . . 8 PRO HD2 . 10028 1 15 . 1 1 8 8 PRO HD3 H 1 3.625 0.030 . 1 . . . . 8 PRO HD3 . 10028 1 16 . 1 1 8 8 PRO C C 13 177.587 0.300 . 1 . . . . 8 PRO C . 10028 1 17 . 1 1 8 8 PRO CA C 13 63.651 0.300 . 1 . . . . 8 PRO CA . 10028 1 18 . 1 1 8 8 PRO CB C 13 32.172 0.300 . 1 . . . . 8 PRO CB . 10028 1 19 . 1 1 8 8 PRO CG C 13 27.232 0.300 . 1 . . . . 8 PRO CG . 10028 1 20 . 1 1 8 8 PRO CD C 13 49.797 0.300 . 1 . . . . 8 PRO CD . 10028 1 21 . 1 1 9 9 LEU H H 1 8.433 0.030 . 1 . . . . 9 LEU H . 10028 1 22 . 1 1 9 9 LEU HA H 1 4.296 0.030 . 1 . . . . 9 LEU HA . 10028 1 23 . 1 1 9 9 LEU HB2 H 1 1.650 0.030 . 2 . . . . 9 LEU HB2 . 10028 1 24 . 1 1 9 9 LEU HB3 H 1 1.541 0.030 . 2 . . . . 9 LEU HB3 . 10028 1 25 . 1 1 9 9 LEU HG H 1 1.607 0.030 . 1 . . . . 9 LEU HG . 10028 1 26 . 1 1 9 9 LEU HD11 H 1 0.891 0.030 . 1 . . . . 9 LEU HD1 . 10028 1 27 . 1 1 9 9 LEU HD12 H 1 0.891 0.030 . 1 . . . . 9 LEU HD1 . 10028 1 28 . 1 1 9 9 LEU HD13 H 1 0.891 0.030 . 1 . . . . 9 LEU HD1 . 10028 1 29 . 1 1 9 9 LEU HD21 H 1 0.837 0.030 . 1 . . . . 9 LEU HD2 . 10028 1 30 . 1 1 9 9 LEU HD22 H 1 0.837 0.030 . 1 . . . . 9 LEU HD2 . 10028 1 31 . 1 1 9 9 LEU HD23 H 1 0.837 0.030 . 1 . . . . 9 LEU HD2 . 10028 1 32 . 1 1 9 9 LEU C C 13 177.854 0.300 . 1 . . . . 9 LEU C . 10028 1 33 . 1 1 9 9 LEU CA C 13 55.513 0.300 . 1 . . . . 9 LEU CA . 10028 1 34 . 1 1 9 9 LEU CB C 13 41.994 0.300 . 1 . . . . 9 LEU CB . 10028 1 35 . 1 1 9 9 LEU CG C 13 27.135 0.300 . 1 . . . . 9 LEU CG . 10028 1 36 . 1 1 9 9 LEU CD1 C 13 24.877 0.300 . 2 . . . . 9 LEU CD1 . 10028 1 37 . 1 1 9 9 LEU CD2 C 13 23.454 0.300 . 2 . . . . 9 LEU CD2 . 10028 1 38 . 1 1 9 9 LEU N N 15 121.349 0.300 . 1 . . . . 9 LEU N . 10028 1 39 . 1 1 10 10 GLU H H 1 8.315 0.030 . 1 . . . . 10 GLU H . 10028 1 40 . 1 1 10 10 GLU HA H 1 4.232 0.030 . 1 . . . . 10 GLU HA . 10028 1 41 . 1 1 10 10 GLU HB2 H 1 1.995 0.030 . 2 . . . . 10 GLU HB2 . 10028 1 42 . 1 1 10 10 GLU HB3 H 1 2.056 0.030 . 2 . . . . 10 GLU HB3 . 10028 1 43 . 1 1 10 10 GLU HG2 H 1 2.238 0.030 . 1 . . . . 10 GLU HG2 . 10028 1 44 . 1 1 10 10 GLU HG3 H 1 2.238 0.030 . 1 . . . . 10 GLU HG3 . 10028 1 45 . 1 1 10 10 GLU C C 13 176.689 0.300 . 1 . . . . 10 GLU C . 10028 1 46 . 1 1 10 10 GLU CA C 13 57.162 0.300 . 1 . . . . 10 GLU CA . 10028 1 47 . 1 1 10 10 GLU CB C 13 29.927 0.300 . 1 . . . . 10 GLU CB . 10028 1 48 . 1 1 10 10 GLU CG C 13 36.427 0.300 . 1 . . . . 10 GLU CG . 10028 1 49 . 1 1 10 10 GLU N N 15 120.898 0.300 . 1 . . . . 10 GLU N . 10028 1 50 . 1 1 11 11 ARG H H 1 8.259 0.030 . 1 . . . . 11 ARG H . 10028 1 51 . 1 1 11 11 ARG HA H 1 4.342 0.030 . 1 . . . . 11 ARG HA . 10028 1 52 . 1 1 11 11 ARG HB2 H 1 1.797 0.030 . 2 . . . . 11 ARG HB2 . 10028 1 53 . 1 1 11 11 ARG HB3 H 1 1.901 0.030 . 2 . . . . 11 ARG HB3 . 10028 1 54 . 1 1 11 11 ARG HG2 H 1 1.627 0.030 . 1 . . . . 11 ARG HG2 . 10028 1 55 . 1 1 11 11 ARG HG3 H 1 1.627 0.030 . 1 . . . . 11 ARG HG3 . 10028 1 56 . 1 1 11 11 ARG HD2 H 1 3.199 0.030 . 2 . . . . 11 ARG HD2 . 10028 1 57 . 1 1 11 11 ARG HD3 H 1 3.194 0.030 . 2 . . . . 11 ARG HD3 . 10028 1 58 . 1 1 11 11 ARG HE H 1 6.898 0.030 . 1 . . . . 11 ARG HE . 10028 1 59 . 1 1 11 11 ARG C C 13 176.373 0.300 . 1 . . . . 11 ARG C . 10028 1 60 . 1 1 11 11 ARG CA C 13 56.316 0.300 . 1 . . . . 11 ARG CA . 10028 1 61 . 1 1 11 11 ARG CB C 13 30.544 0.300 . 1 . . . . 11 ARG CB . 10028 1 62 . 1 1 11 11 ARG CG C 13 27.289 0.300 . 1 . . . . 11 ARG CG . 10028 1 63 . 1 1 11 11 ARG CD C 13 43.278 0.300 . 1 . . . . 11 ARG CD . 10028 1 64 . 1 1 11 11 ARG N N 15 120.392 0.300 . 1 . . . . 11 ARG N . 10028 1 65 . 1 1 12 12 GLU H H 1 8.298 0.030 . 1 . . . . 12 GLU H . 10028 1 66 . 1 1 12 12 GLU HA H 1 4.222 0.030 . 1 . . . . 12 GLU HA . 10028 1 67 . 1 1 12 12 GLU HB2 H 1 2.015 0.030 . 1 . . . . 12 GLU HB2 . 10028 1 68 . 1 1 12 12 GLU HB3 H 1 2.015 0.030 . 1 . . . . 12 GLU HB3 . 10028 1 69 . 1 1 12 12 GLU HG2 H 1 2.251 0.030 . 2 . . . . 12 GLU HG2 . 10028 1 70 . 1 1 12 12 GLU C C 13 177.101 0.300 . 1 . . . . 12 GLU C . 10028 1 71 . 1 1 12 12 GLU CA C 13 56.758 0.300 . 1 . . . . 12 GLU CA . 10028 1 72 . 1 1 12 12 GLU CB C 13 30.009 0.300 . 1 . . . . 12 GLU CB . 10028 1 73 . 1 1 12 12 GLU CG C 13 36.443 0.300 . 1 . . . . 12 GLU CG . 10028 1 74 . 1 1 12 12 GLU N N 15 120.761 0.300 . 1 . . . . 12 GLU N . 10028 1 75 . 1 1 13 13 GLY H H 1 8.490 0.030 . 1 . . . . 13 GLY H . 10028 1 76 . 1 1 13 13 GLY HA2 H 1 3.959 0.030 . 1 . . . . 13 GLY HA2 . 10028 1 77 . 1 1 13 13 GLY HA3 H 1 3.959 0.030 . 1 . . . . 13 GLY HA3 . 10028 1 78 . 1 1 13 13 GLY C C 13 173.823 0.300 . 1 . . . . 13 GLY C . 10028 1 79 . 1 1 13 13 GLY CA C 13 45.439 0.300 . 1 . . . . 13 GLY CA . 10028 1 80 . 1 1 13 13 GLY N N 15 109.950 0.300 . 1 . . . . 13 GLY N . 10028 1 81 . 1 1 14 14 LEU H H 1 8.165 0.030 . 1 . . . . 14 LEU H . 10028 1 82 . 1 1 14 14 LEU HA H 1 4.557 0.030 . 1 . . . . 14 LEU HA . 10028 1 83 . 1 1 14 14 LEU HB2 H 1 1.353 0.030 . 2 . . . . 14 LEU HB2 . 10028 1 84 . 1 1 14 14 LEU HB3 H 1 1.764 0.030 . 2 . . . . 14 LEU HB3 . 10028 1 85 . 1 1 14 14 LEU HG H 1 1.727 0.030 . 1 . . . . 14 LEU HG . 10028 1 86 . 1 1 14 14 LEU HD11 H 1 1.004 0.030 . 1 . . . . 14 LEU HD1 . 10028 1 87 . 1 1 14 14 LEU HD12 H 1 1.004 0.030 . 1 . . . . 14 LEU HD1 . 10028 1 88 . 1 1 14 14 LEU HD13 H 1 1.004 0.030 . 1 . . . . 14 LEU HD1 . 10028 1 89 . 1 1 14 14 LEU HD21 H 1 0.485 0.030 . 1 . . . . 14 LEU HD2 . 10028 1 90 . 1 1 14 14 LEU HD22 H 1 0.485 0.030 . 1 . . . . 14 LEU HD2 . 10028 1 91 . 1 1 14 14 LEU HD23 H 1 0.485 0.030 . 1 . . . . 14 LEU HD2 . 10028 1 92 . 1 1 14 14 LEU C C 13 174.212 0.300 . 1 . . . . 14 LEU C . 10028 1 93 . 1 1 14 14 LEU CA C 13 52.155 0.300 . 1 . . . . 14 LEU CA . 10028 1 94 . 1 1 14 14 LEU CB C 13 42.352 0.300 . 1 . . . . 14 LEU CB . 10028 1 95 . 1 1 14 14 LEU CG C 13 26.832 0.300 . 1 . . . . 14 LEU CG . 10028 1 96 . 1 1 14 14 LEU CD1 C 13 26.633 0.300 . 2 . . . . 14 LEU CD1 . 10028 1 97 . 1 1 14 14 LEU CD2 C 13 23.819 0.300 . 2 . . . . 14 LEU CD2 . 10028 1 98 . 1 1 14 14 LEU N N 15 121.617 0.300 . 1 . . . . 14 LEU N . 10028 1 99 . 1 1 15 15 PRO HA H 1 4.783 0.030 . 1 . . . . 15 PRO HA . 10028 1 100 . 1 1 15 15 PRO HB2 H 1 2.479 0.030 . 2 . . . . 15 PRO HB2 . 10028 1 101 . 1 1 15 15 PRO HB3 H 1 1.897 0.030 . 2 . . . . 15 PRO HB3 . 10028 1 102 . 1 1 15 15 PRO HG2 H 1 1.650 0.030 . 2 . . . . 15 PRO HG2 . 10028 1 103 . 1 1 15 15 PRO HG3 H 1 1.315 0.030 . 2 . . . . 15 PRO HG3 . 10028 1 104 . 1 1 15 15 PRO HD2 H 1 3.457 0.030 . 2 . . . . 15 PRO HD2 . 10028 1 105 . 1 1 15 15 PRO HD3 H 1 2.591 0.030 . 2 . . . . 15 PRO HD3 . 10028 1 106 . 1 1 15 15 PRO CA C 13 61.285 0.300 . 1 . . . . 15 PRO CA . 10028 1 107 . 1 1 15 15 PRO CB C 13 29.605 0.300 . 1 . . . . 15 PRO CB . 10028 1 108 . 1 1 15 15 PRO CG C 13 26.920 0.300 . 1 . . . . 15 PRO CG . 10028 1 109 . 1 1 15 15 PRO CD C 13 50.106 0.300 . 1 . . . . 15 PRO CD . 10028 1 110 . 1 1 16 16 PRO HA H 1 4.481 0.030 . 1 . . . . 16 PRO HA . 10028 1 111 . 1 1 16 16 PRO HB2 H 1 1.928 0.030 . 2 . . . . 16 PRO HB2 . 10028 1 112 . 1 1 16 16 PRO HB3 H 1 2.394 0.030 . 2 . . . . 16 PRO HB3 . 10028 1 113 . 1 1 16 16 PRO HG2 H 1 2.066 0.030 . 2 . . . . 16 PRO HG2 . 10028 1 114 . 1 1 16 16 PRO HG3 H 1 2.166 0.030 . 2 . . . . 16 PRO HG3 . 10028 1 115 . 1 1 16 16 PRO HD2 H 1 3.881 0.030 . 2 . . . . 16 PRO HD2 . 10028 1 116 . 1 1 16 16 PRO HD3 H 1 3.635 0.030 . 2 . . . . 16 PRO HD3 . 10028 1 117 . 1 1 16 16 PRO C C 13 178.243 0.300 . 1 . . . . 16 PRO C . 10028 1 118 . 1 1 16 16 PRO CA C 13 63.964 0.300 . 1 . . . . 16 PRO CA . 10028 1 119 . 1 1 16 16 PRO CB C 13 31.850 0.300 . 1 . . . . 16 PRO CB . 10028 1 120 . 1 1 16 16 PRO CG C 13 27.885 0.300 . 1 . . . . 16 PRO CG . 10028 1 121 . 1 1 16 16 PRO CD C 13 50.353 0.300 . 1 . . . . 16 PRO CD . 10028 1 122 . 1 1 17 17 GLY H H 1 9.121 0.030 . 1 . . . . 17 GLY H . 10028 1 123 . 1 1 17 17 GLY HA2 H 1 3.773 0.030 . 2 . . . . 17 GLY HA2 . 10028 1 124 . 1 1 17 17 GLY HA3 H 1 4.270 0.030 . 2 . . . . 17 GLY HA3 . 10028 1 125 . 1 1 17 17 GLY C C 13 172.439 0.300 . 1 . . . . 17 GLY C . 10028 1 126 . 1 1 17 17 GLY CA C 13 45.690 0.300 . 1 . . . . 17 GLY CA . 10028 1 127 . 1 1 17 17 GLY N N 15 112.550 0.300 . 1 . . . . 17 GLY N . 10028 1 128 . 1 1 18 18 TRP H H 1 7.693 0.030 . 1 . . . . 18 TRP H . 10028 1 129 . 1 1 18 18 TRP HA H 1 5.899 0.030 . 1 . . . . 18 TRP HA . 10028 1 130 . 1 1 18 18 TRP HB2 H 1 3.257 0.030 . 2 . . . . 18 TRP HB2 . 10028 1 131 . 1 1 18 18 TRP HB3 H 1 2.933 0.030 . 2 . . . . 18 TRP HB3 . 10028 1 132 . 1 1 18 18 TRP HD1 H 1 7.089 0.030 . 1 . . . . 18 TRP HD1 . 10028 1 133 . 1 1 18 18 TRP HE1 H 1 10.104 0.030 . 1 . . . . 18 TRP HE1 . 10028 1 134 . 1 1 18 18 TRP HE3 H 1 7.201 0.030 . 1 . . . . 18 TRP HE3 . 10028 1 135 . 1 1 18 18 TRP HZ2 H 1 7.393 0.030 . 1 . . . . 18 TRP HZ2 . 10028 1 136 . 1 1 18 18 TRP HZ3 H 1 6.614 0.030 . 1 . . . . 18 TRP HZ3 . 10028 1 137 . 1 1 18 18 TRP HH2 H 1 6.960 0.030 . 1 . . . . 18 TRP HH2 . 10028 1 138 . 1 1 18 18 TRP C C 13 176.907 0.300 . 1 . . . . 18 TRP C . 10028 1 139 . 1 1 18 18 TRP CA C 13 56.099 0.300 . 1 . . . . 18 TRP CA . 10028 1 140 . 1 1 18 18 TRP CB C 13 32.376 0.300 . 1 . . . . 18 TRP CB . 10028 1 141 . 1 1 18 18 TRP CD1 C 13 127.428 0.300 . 1 . . . . 18 TRP CD1 . 10028 1 142 . 1 1 18 18 TRP CE3 C 13 119.333 0.300 . 1 . . . . 18 TRP CE3 . 10028 1 143 . 1 1 18 18 TRP CZ2 C 13 115.480 0.300 . 1 . . . . 18 TRP CZ2 . 10028 1 144 . 1 1 18 18 TRP CZ3 C 13 120.747 0.300 . 1 . . . . 18 TRP CZ3 . 10028 1 145 . 1 1 18 18 TRP CH2 C 13 123.741 0.300 . 1 . . . . 18 TRP CH2 . 10028 1 146 . 1 1 18 18 TRP N N 15 117.953 0.300 . 1 . . . . 18 TRP N . 10028 1 147 . 1 1 18 18 TRP NE1 N 15 130.061 0.300 . 1 . . . . 18 TRP NE1 . 10028 1 148 . 1 1 19 19 GLU H H 1 9.286 0.030 . 1 . . . . 19 GLU H . 10028 1 149 . 1 1 19 19 GLU HA H 1 4.807 0.030 . 1 . . . . 19 GLU HA . 10028 1 150 . 1 1 19 19 GLU HB2 H 1 2.037 0.030 . 1 . . . . 19 GLU HB2 . 10028 1 151 . 1 1 19 19 GLU HB3 H 1 2.037 0.030 . 1 . . . . 19 GLU HB3 . 10028 1 152 . 1 1 19 19 GLU HG2 H 1 2.211 0.030 . 2 . . . . 19 GLU HG2 . 10028 1 153 . 1 1 19 19 GLU HG3 H 1 2.299 0.030 . 2 . . . . 19 GLU HG3 . 10028 1 154 . 1 1 19 19 GLU C C 13 173.459 0.300 . 1 . . . . 19 GLU C . 10028 1 155 . 1 1 19 19 GLU CA C 13 55.223 0.300 . 1 . . . . 19 GLU CA . 10028 1 156 . 1 1 19 19 GLU CB C 13 34.784 0.300 . 1 . . . . 19 GLU CB . 10028 1 157 . 1 1 19 19 GLU CG C 13 36.428 0.300 . 1 . . . . 19 GLU CG . 10028 1 158 . 1 1 19 19 GLU N N 15 118.265 0.300 . 1 . . . . 19 GLU N . 10028 1 159 . 1 1 20 20 ARG H H 1 8.858 0.030 . 1 . . . . 20 ARG H . 10028 1 160 . 1 1 20 20 ARG HA H 1 4.471 0.030 . 1 . . . . 20 ARG HA . 10028 1 161 . 1 1 20 20 ARG HB2 H 1 1.608 0.030 . 2 . . . . 20 ARG HB2 . 10028 1 162 . 1 1 20 20 ARG HB3 H 1 1.870 0.030 . 2 . . . . 20 ARG HB3 . 10028 1 163 . 1 1 20 20 ARG HG2 H 1 0.978 0.030 . 2 . . . . 20 ARG HG2 . 10028 1 164 . 1 1 20 20 ARG HG3 H 1 1.100 0.030 . 2 . . . . 20 ARG HG3 . 10028 1 165 . 1 1 20 20 ARG HD2 H 1 3.173 0.030 . 2 . . . . 20 ARG HD2 . 10028 1 166 . 1 1 20 20 ARG HD3 H 1 3.270 0.030 . 2 . . . . 20 ARG HD3 . 10028 1 167 . 1 1 20 20 ARG C C 13 174.163 0.300 . 1 . . . . 20 ARG C . 10028 1 168 . 1 1 20 20 ARG CA C 13 55.082 0.300 . 1 . . . . 20 ARG CA . 10028 1 169 . 1 1 20 20 ARG CB C 13 32.172 0.300 . 1 . . . . 20 ARG CB . 10028 1 170 . 1 1 20 20 ARG CG C 13 27.590 0.300 . 1 . . . . 20 ARG CG . 10028 1 171 . 1 1 20 20 ARG CD C 13 43.525 0.300 . 1 . . . . 20 ARG CD . 10028 1 172 . 1 1 20 20 ARG N N 15 126.245 0.300 . 1 . . . . 20 ARG N . 10028 1 173 . 1 1 21 21 VAL H H 1 8.964 0.030 . 1 . . . . 21 VAL H . 10028 1 174 . 1 1 21 21 VAL HA H 1 3.893 0.030 . 1 . . . . 21 VAL HA . 10028 1 175 . 1 1 21 21 VAL HB H 1 0.124 0.030 . 1 . . . . 21 VAL HB . 10028 1 176 . 1 1 21 21 VAL HG11 H 1 0.522 0.030 . 1 . . . . 21 VAL HG1 . 10028 1 177 . 1 1 21 21 VAL HG12 H 1 0.522 0.030 . 1 . . . . 21 VAL HG1 . 10028 1 178 . 1 1 21 21 VAL HG13 H 1 0.522 0.030 . 1 . . . . 21 VAL HG1 . 10028 1 179 . 1 1 21 21 VAL HG21 H 1 0.512 0.030 . 1 . . . . 21 VAL HG2 . 10028 1 180 . 1 1 21 21 VAL HG22 H 1 0.512 0.030 . 1 . . . . 21 VAL HG2 . 10028 1 181 . 1 1 21 21 VAL HG23 H 1 0.512 0.030 . 1 . . . . 21 VAL HG2 . 10028 1 182 . 1 1 21 21 VAL C C 13 173.726 0.300 . 1 . . . . 21 VAL C . 10028 1 183 . 1 1 21 21 VAL CA C 13 61.394 0.300 . 1 . . . . 21 VAL CA . 10028 1 184 . 1 1 21 21 VAL CB C 13 33.606 0.300 . 1 . . . . 21 VAL CB . 10028 1 185 . 1 1 21 21 VAL CG1 C 13 21.852 0.300 . 2 . . . . 21 VAL CG1 . 10028 1 186 . 1 1 21 21 VAL CG2 C 13 21.834 0.300 . 2 . . . . 21 VAL CG2 . 10028 1 187 . 1 1 21 21 VAL N N 15 130.296 0.300 . 1 . . . . 21 VAL N . 10028 1 188 . 1 1 22 22 GLU H H 1 8.098 0.030 . 1 . . . . 22 GLU H . 10028 1 189 . 1 1 22 22 GLU HA H 1 4.602 0.030 . 1 . . . . 22 GLU HA . 10028 1 190 . 1 1 22 22 GLU HB2 H 1 1.853 0.030 . 2 . . . . 22 GLU HB2 . 10028 1 191 . 1 1 22 22 GLU HB3 H 1 1.780 0.030 . 2 . . . . 22 GLU HB3 . 10028 1 192 . 1 1 22 22 GLU HG2 H 1 2.129 0.030 . 1 . . . . 22 GLU HG2 . 10028 1 193 . 1 1 22 22 GLU HG3 H 1 2.129 0.030 . 1 . . . . 22 GLU HG3 . 10028 1 194 . 1 1 22 22 GLU C C 13 175.572 0.300 . 1 . . . . 22 GLU C . 10028 1 195 . 1 1 22 22 GLU CA C 13 54.280 0.300 . 1 . . . . 22 GLU CA . 10028 1 196 . 1 1 22 22 GLU CB C 13 29.844 0.300 . 1 . . . . 22 GLU CB . 10028 1 197 . 1 1 22 22 GLU CG C 13 35.366 0.300 . 1 . . . . 22 GLU CG . 10028 1 198 . 1 1 22 22 GLU N N 15 123.724 0.300 . 1 . . . . 22 GLU N . 10028 1 199 . 1 1 23 23 SER H H 1 8.024 0.030 . 1 . . . . 23 SER H . 10028 1 200 . 1 1 23 23 SER HA H 1 5.027 0.030 . 1 . . . . 23 SER HA . 10028 1 201 . 1 1 23 23 SER HB2 H 1 4.417 0.030 . 2 . . . . 23 SER HB2 . 10028 1 202 . 1 1 23 23 SER HB3 H 1 4.599 0.030 . 2 . . . . 23 SER HB3 . 10028 1 203 . 1 1 23 23 SER C C 13 177.514 0.300 . 1 . . . . 23 SER C . 10028 1 204 . 1 1 23 23 SER CA C 13 55.868 0.300 . 1 . . . . 23 SER CA . 10028 1 205 . 1 1 23 23 SER CB C 13 62.690 0.300 . 1 . . . . 23 SER CB . 10028 1 206 . 1 1 23 23 SER N N 15 118.853 0.300 . 1 . . . . 23 SER N . 10028 1 207 . 1 1 24 24 SER H H 1 8.367 0.030 . 1 . . . . 24 SER H . 10028 1 208 . 1 1 24 24 SER HA H 1 4.261 0.030 . 1 . . . . 24 SER HA . 10028 1 209 . 1 1 24 24 SER HB2 H 1 3.920 0.030 . 2 . . . . 24 SER HB2 . 10028 1 210 . 1 1 24 24 SER HB3 H 1 3.984 0.030 . 2 . . . . 24 SER HB3 . 10028 1 211 . 1 1 24 24 SER C C 13 174.236 0.300 . 1 . . . . 24 SER C . 10028 1 212 . 1 1 24 24 SER CA C 13 60.935 0.300 . 1 . . . . 24 SER CA . 10028 1 213 . 1 1 24 24 SER CB C 13 62.706 0.300 . 1 . . . . 24 SER CB . 10028 1 214 . 1 1 25 25 GLU H H 1 8.067 0.030 . 1 . . . . 25 GLU H . 10028 1 215 . 1 1 25 25 GLU HA H 1 4.120 0.030 . 1 . . . . 25 GLU HA . 10028 1 216 . 1 1 25 25 GLU HB2 H 1 1.327 0.030 . 2 . . . . 25 GLU HB2 . 10028 1 217 . 1 1 25 25 GLU HB3 H 1 1.675 0.030 . 2 . . . . 25 GLU HB3 . 10028 1 218 . 1 1 25 25 GLU HG2 H 1 1.691 0.030 . 2 . . . . 25 GLU HG2 . 10028 1 219 . 1 1 25 25 GLU HG3 H 1 1.133 0.030 . 2 . . . . 25 GLU HG3 . 10028 1 220 . 1 1 25 25 GLU C C 13 177.320 0.300 . 1 . . . . 25 GLU C . 10028 1 221 . 1 1 25 25 GLU CA C 13 57.585 0.300 . 1 . . . . 25 GLU CA . 10028 1 222 . 1 1 25 25 GLU CB C 13 31.905 0.300 . 1 . . . . 25 GLU CB . 10028 1 223 . 1 1 25 25 GLU CG C 13 35.535 0.300 . 1 . . . . 25 GLU CG . 10028 1 224 . 1 1 25 25 GLU N N 15 121.587 0.300 . 1 . . . . 25 GLU N . 10028 1 225 . 1 1 26 26 PHE H H 1 8.513 0.030 . 1 . . . . 26 PHE H . 10028 1 226 . 1 1 26 26 PHE HA H 1 4.294 0.030 . 1 . . . . 26 PHE HA . 10028 1 227 . 1 1 26 26 PHE HB2 H 1 2.293 0.030 . 2 . . . . 26 PHE HB2 . 10028 1 228 . 1 1 26 26 PHE HB3 H 1 2.742 0.030 . 2 . . . . 26 PHE HB3 . 10028 1 229 . 1 1 26 26 PHE HD1 H 1 6.765 0.030 . 1 . . . . 26 PHE HD1 . 10028 1 230 . 1 1 26 26 PHE HD2 H 1 6.765 0.030 . 1 . . . . 26 PHE HD2 . 10028 1 231 . 1 1 26 26 PHE HE1 H 1 6.931 0.030 . 1 . . . . 26 PHE HE1 . 10028 1 232 . 1 1 26 26 PHE HE2 H 1 6.931 0.030 . 1 . . . . 26 PHE HE2 . 10028 1 233 . 1 1 26 26 PHE HZ H 1 6.908 0.030 . 1 . . . . 26 PHE HZ . 10028 1 234 . 1 1 26 26 PHE C C 13 175.547 0.300 . 1 . . . . 26 PHE C . 10028 1 235 . 1 1 26 26 PHE CA C 13 58.573 0.300 . 1 . . . . 26 PHE CA . 10028 1 236 . 1 1 26 26 PHE CB C 13 40.006 0.300 . 1 . . . . 26 PHE CB . 10028 1 237 . 1 1 26 26 PHE CD1 C 13 131.531 0.300 . 1 . . . . 26 PHE CD1 . 10028 1 238 . 1 1 26 26 PHE CD2 C 13 131.531 0.300 . 1 . . . . 26 PHE CD2 . 10028 1 239 . 1 1 26 26 PHE CE1 C 13 130.560 0.300 . 1 . . . . 26 PHE CE1 . 10028 1 240 . 1 1 26 26 PHE CE2 C 13 130.560 0.300 . 1 . . . . 26 PHE CE2 . 10028 1 241 . 1 1 26 26 PHE CZ C 13 128.998 0.300 . 1 . . . . 26 PHE CZ . 10028 1 242 . 1 1 26 26 PHE N N 15 114.645 0.300 . 1 . . . . 26 PHE N . 10028 1 243 . 1 1 27 27 GLY H H 1 7.693 0.030 . 1 . . . . 27 GLY H . 10028 1 244 . 1 1 27 27 GLY HA2 H 1 3.961 0.030 . 2 . . . . 27 GLY HA2 . 10028 1 245 . 1 1 27 27 GLY HA3 H 1 4.294 0.030 . 2 . . . . 27 GLY HA3 . 10028 1 246 . 1 1 27 27 GLY C C 13 172.876 0.300 . 1 . . . . 27 GLY C . 10028 1 247 . 1 1 27 27 GLY CA C 13 45.019 0.300 . 1 . . . . 27 GLY CA . 10028 1 248 . 1 1 27 27 GLY N N 15 110.394 0.300 . 1 . . . . 27 GLY N . 10028 1 249 . 1 1 28 28 THR H H 1 8.400 0.030 . 1 . . . . 28 THR H . 10028 1 250 . 1 1 28 28 THR HA H 1 5.088 0.030 . 1 . . . . 28 THR HA . 10028 1 251 . 1 1 28 28 THR HB H 1 3.949 0.030 . 1 . . . . 28 THR HB . 10028 1 252 . 1 1 28 28 THR HG21 H 1 0.987 0.030 . 1 . . . . 28 THR HG2 . 10028 1 253 . 1 1 28 28 THR HG22 H 1 0.987 0.030 . 1 . . . . 28 THR HG2 . 10028 1 254 . 1 1 28 28 THR HG23 H 1 0.987 0.030 . 1 . . . . 28 THR HG2 . 10028 1 255 . 1 1 28 28 THR C C 13 175.183 0.300 . 1 . . . . 28 THR C . 10028 1 256 . 1 1 28 28 THR CA C 13 62.925 0.300 . 1 . . . . 28 THR CA . 10028 1 257 . 1 1 28 28 THR CB C 13 69.439 0.300 . 1 . . . . 28 THR CB . 10028 1 258 . 1 1 28 28 THR CG2 C 13 21.924 0.300 . 1 . . . . 28 THR CG2 . 10028 1 259 . 1 1 28 28 THR N N 15 117.900 0.300 . 1 . . . . 28 THR N . 10028 1 260 . 1 1 29 29 TYR H H 1 9.175 0.030 . 1 . . . . 29 TYR H . 10028 1 261 . 1 1 29 29 TYR HA H 1 4.762 0.030 . 1 . . . . 29 TYR HA . 10028 1 262 . 1 1 29 29 TYR HB2 H 1 2.751 0.030 . 2 . . . . 29 TYR HB2 . 10028 1 263 . 1 1 29 29 TYR HB3 H 1 2.908 0.030 . 2 . . . . 29 TYR HB3 . 10028 1 264 . 1 1 29 29 TYR HD1 H 1 6.867 0.030 . 1 . . . . 29 TYR HD1 . 10028 1 265 . 1 1 29 29 TYR HD2 H 1 6.867 0.030 . 1 . . . . 29 TYR HD2 . 10028 1 266 . 1 1 29 29 TYR HE1 H 1 6.660 0.030 . 1 . . . . 29 TYR HE1 . 10028 1 267 . 1 1 29 29 TYR HE2 H 1 6.660 0.030 . 1 . . . . 29 TYR HE2 . 10028 1 268 . 1 1 29 29 TYR C C 13 170.375 0.300 . 1 . . . . 29 TYR C . 10028 1 269 . 1 1 29 29 TYR CA C 13 56.210 0.300 . 1 . . . . 29 TYR CA . 10028 1 270 . 1 1 29 29 TYR CB C 13 39.322 0.300 . 1 . . . . 29 TYR CB . 10028 1 271 . 1 1 29 29 TYR CD1 C 13 133.826 0.300 . 1 . . . . 29 TYR CD1 . 10028 1 272 . 1 1 29 29 TYR CD2 C 13 133.826 0.300 . 1 . . . . 29 TYR CD2 . 10028 1 273 . 1 1 29 29 TYR CE1 C 13 117.982 0.300 . 1 . . . . 29 TYR CE1 . 10028 1 274 . 1 1 29 29 TYR CE2 C 13 117.982 0.300 . 1 . . . . 29 TYR CE2 . 10028 1 275 . 1 1 29 29 TYR N N 15 125.920 0.300 . 1 . . . . 29 TYR N . 10028 1 276 . 1 1 30 30 TYR H H 1 8.965 0.030 . 1 . . . . 30 TYR H . 10028 1 277 . 1 1 30 30 TYR HA H 1 5.430 0.030 . 1 . . . . 30 TYR HA . 10028 1 278 . 1 1 30 30 TYR HB2 H 1 2.795 0.030 . 2 . . . . 30 TYR HB2 . 10028 1 279 . 1 1 30 30 TYR HB3 H 1 3.047 0.030 . 2 . . . . 30 TYR HB3 . 10028 1 280 . 1 1 30 30 TYR HD1 H 1 6.739 0.030 . 1 . . . . 30 TYR HD1 . 10028 1 281 . 1 1 30 30 TYR HD2 H 1 6.739 0.030 . 1 . . . . 30 TYR HD2 . 10028 1 282 . 1 1 30 30 TYR HE1 H 1 6.678 0.030 . 1 . . . . 30 TYR HE1 . 10028 1 283 . 1 1 30 30 TYR HE2 H 1 6.678 0.030 . 1 . . . . 30 TYR HE2 . 10028 1 284 . 1 1 30 30 TYR C C 13 174.673 0.300 . 1 . . . . 30 TYR C . 10028 1 285 . 1 1 30 30 TYR CA C 13 56.739 0.300 . 1 . . . . 30 TYR CA . 10028 1 286 . 1 1 30 30 TYR CB C 13 41.959 0.300 . 1 . . . . 30 TYR CB . 10028 1 287 . 1 1 30 30 TYR CD1 C 13 133.277 0.300 . 1 . . . . 30 TYR CD1 . 10028 1 288 . 1 1 30 30 TYR CD2 C 13 133.277 0.300 . 1 . . . . 30 TYR CD2 . 10028 1 289 . 1 1 30 30 TYR CE1 C 13 117.072 0.300 . 1 . . . . 30 TYR CE1 . 10028 1 290 . 1 1 30 30 TYR CE2 C 13 117.072 0.300 . 1 . . . . 30 TYR CE2 . 10028 1 291 . 1 1 30 30 TYR N N 15 116.046 0.300 . 1 . . . . 30 TYR N . 10028 1 292 . 1 1 31 31 VAL H H 1 9.318 0.030 . 1 . . . . 31 VAL H . 10028 1 293 . 1 1 31 31 VAL HA H 1 4.260 0.030 . 1 . . . . 31 VAL HA . 10028 1 294 . 1 1 31 31 VAL HB H 1 1.470 0.030 . 1 . . . . 31 VAL HB . 10028 1 295 . 1 1 31 31 VAL HG11 H 1 -0.419 0.030 . 1 . . . . 31 VAL HG1 . 10028 1 296 . 1 1 31 31 VAL HG12 H 1 -0.419 0.030 . 1 . . . . 31 VAL HG1 . 10028 1 297 . 1 1 31 31 VAL HG13 H 1 -0.419 0.030 . 1 . . . . 31 VAL HG1 . 10028 1 298 . 1 1 31 31 VAL HG21 H 1 0.949 0.030 . 1 . . . . 31 VAL HG2 . 10028 1 299 . 1 1 31 31 VAL HG22 H 1 0.949 0.030 . 1 . . . . 31 VAL HG2 . 10028 1 300 . 1 1 31 31 VAL HG23 H 1 0.949 0.030 . 1 . . . . 31 VAL HG2 . 10028 1 301 . 1 1 31 31 VAL C C 13 173.071 0.300 . 1 . . . . 31 VAL C . 10028 1 302 . 1 1 31 31 VAL CA C 13 61.253 0.300 . 1 . . . . 31 VAL CA . 10028 1 303 . 1 1 31 31 VAL CB C 13 35.119 0.300 . 1 . . . . 31 VAL CB . 10028 1 304 . 1 1 31 31 VAL CG1 C 13 18.185 0.300 . 2 . . . . 31 VAL CG1 . 10028 1 305 . 1 1 31 31 VAL CG2 C 13 23.010 0.300 . 2 . . . . 31 VAL CG2 . 10028 1 306 . 1 1 31 31 VAL N N 15 122.365 0.300 . 1 . . . . 31 VAL N . 10028 1 307 . 1 1 32 32 ASP H H 1 8.042 0.030 . 1 . . . . 32 ASP H . 10028 1 308 . 1 1 32 32 ASP HA H 1 3.184 0.030 . 1 . . . . 32 ASP HA . 10028 1 309 . 1 1 32 32 ASP HB2 H 1 -0.023 0.030 . 2 . . . . 32 ASP HB2 . 10028 1 310 . 1 1 32 32 ASP HB3 H 1 1.815 0.030 . 2 . . . . 32 ASP HB3 . 10028 1 311 . 1 1 32 32 ASP C C 13 177.320 0.300 . 1 . . . . 32 ASP C . 10028 1 312 . 1 1 32 32 ASP CA C 13 50.626 0.300 . 1 . . . . 32 ASP CA . 10028 1 313 . 1 1 32 32 ASP CB C 13 39.157 0.300 . 1 . . . . 32 ASP CB . 10028 1 314 . 1 1 32 32 ASP N N 15 125.886 0.300 . 1 . . . . 32 ASP N . 10028 1 315 . 1 1 33 33 HIS H H 1 8.578 0.030 . 1 . . . . 33 HIS H . 10028 1 316 . 1 1 33 33 HIS HA H 1 3.507 0.030 . 1 . . . . 33 HIS HA . 10028 1 317 . 1 1 33 33 HIS HB2 H 1 2.569 0.030 . 2 . . . . 33 HIS HB2 . 10028 1 318 . 1 1 33 33 HIS HB3 H 1 2.518 0.030 . 2 . . . . 33 HIS HB3 . 10028 1 319 . 1 1 33 33 HIS HD2 H 1 5.474 0.030 . 1 . . . . 33 HIS HD2 . 10028 1 320 . 1 1 33 33 HIS HE1 H 1 5.198 0.030 . 1 . . . . 33 HIS HE1 . 10028 1 321 . 1 1 33 33 HIS C C 13 176.810 0.300 . 1 . . . . 33 HIS C . 10028 1 322 . 1 1 33 33 HIS CA C 13 59.701 0.300 . 1 . . . . 33 HIS CA . 10028 1 323 . 1 1 33 33 HIS CB C 13 30.174 0.300 . 1 . . . . 33 HIS CB . 10028 1 324 . 1 1 33 33 HIS CD2 C 13 116.292 0.300 . 1 . . . . 33 HIS CD2 . 10028 1 325 . 1 1 33 33 HIS CE1 C 13 136.114 0.300 . 1 . . . . 33 HIS CE1 . 10028 1 326 . 1 1 33 33 HIS N N 15 123.327 0.300 . 1 . . . . 33 HIS N . 10028 1 327 . 1 1 34 34 THR H H 1 8.064 0.030 . 1 . . . . 34 THR H . 10028 1 328 . 1 1 34 34 THR HA H 1 3.967 0.030 . 1 . . . . 34 THR HA . 10028 1 329 . 1 1 34 34 THR HB H 1 4.176 0.030 . 1 . . . . 34 THR HB . 10028 1 330 . 1 1 34 34 THR HG21 H 1 1.118 0.030 . 1 . . . . 34 THR HG2 . 10028 1 331 . 1 1 34 34 THR HG22 H 1 1.118 0.030 . 1 . . . . 34 THR HG2 . 10028 1 332 . 1 1 34 34 THR HG23 H 1 1.118 0.030 . 1 . . . . 34 THR HG2 . 10028 1 333 . 1 1 34 34 THR C C 13 175.596 0.300 . 1 . . . . 34 THR C . 10028 1 334 . 1 1 34 34 THR CA C 13 65.661 0.300 . 1 . . . . 34 THR CA . 10028 1 335 . 1 1 34 34 THR CB C 13 67.508 0.300 . 1 . . . . 34 THR CB . 10028 1 336 . 1 1 34 34 THR CG2 C 13 21.823 0.300 . 1 . . . . 34 THR CG2 . 10028 1 337 . 1 1 34 34 THR N N 15 117.143 0.300 . 1 . . . . 34 THR N . 10028 1 338 . 1 1 35 35 ASN H H 1 6.796 0.030 . 1 . . . . 35 ASN H . 10028 1 339 . 1 1 35 35 ASN HA H 1 4.653 0.030 . 1 . . . . 35 ASN HA . 10028 1 340 . 1 1 35 35 ASN HB2 H 1 2.113 0.030 . 2 . . . . 35 ASN HB2 . 10028 1 341 . 1 1 35 35 ASN HB3 H 1 2.573 0.030 . 2 . . . . 35 ASN HB3 . 10028 1 342 . 1 1 35 35 ASN HD21 H 1 8.580 0.030 . 2 . . . . 35 ASN HD21 . 10028 1 343 . 1 1 35 35 ASN HD22 H 1 7.018 0.030 . 2 . . . . 35 ASN HD22 . 10028 1 344 . 1 1 35 35 ASN C C 13 173.143 0.300 . 1 . . . . 35 ASN C . 10028 1 345 . 1 1 35 35 ASN CA C 13 52.931 0.300 . 1 . . . . 35 ASN CA . 10028 1 346 . 1 1 35 35 ASN CB C 13 39.487 0.300 . 1 . . . . 35 ASN CB . 10028 1 347 . 1 1 35 35 ASN N N 15 115.851 0.300 . 1 . . . . 35 ASN N . 10028 1 348 . 1 1 35 35 ASN ND2 N 15 118.098 0.300 . 1 . . . . 35 ASN ND2 . 10028 1 349 . 1 1 36 36 LYS H H 1 7.825 0.030 . 1 . . . . 36 LYS H . 10028 1 350 . 1 1 36 36 LYS HA H 1 3.258 0.030 . 1 . . . . 36 LYS HA . 10028 1 351 . 1 1 36 36 LYS HB2 H 1 2.036 0.030 . 2 . . . . 36 LYS HB2 . 10028 1 352 . 1 1 36 36 LYS HB3 H 1 2.254 0.030 . 2 . . . . 36 LYS HB3 . 10028 1 353 . 1 1 36 36 LYS HG2 H 1 1.209 0.030 . 2 . . . . 36 LYS HG2 . 10028 1 354 . 1 1 36 36 LYS HG3 H 1 1.262 0.030 . 2 . . . . 36 LYS HG3 . 10028 1 355 . 1 1 36 36 LYS HD2 H 1 1.470 0.030 . 2 . . . . 36 LYS HD2 . 10028 1 356 . 1 1 36 36 LYS HD3 H 1 1.557 0.030 . 2 . . . . 36 LYS HD3 . 10028 1 357 . 1 1 36 36 LYS HE2 H 1 2.951 0.030 . 2 . . . . 36 LYS HE2 . 10028 1 358 . 1 1 36 36 LYS C C 13 175.450 0.300 . 1 . . . . 36 LYS C . 10028 1 359 . 1 1 36 36 LYS CA C 13 57.264 0.300 . 1 . . . . 36 LYS CA . 10028 1 360 . 1 1 36 36 LYS CB C 13 27.623 0.300 . 1 . . . . 36 LYS CB . 10028 1 361 . 1 1 36 36 LYS CG C 13 25.150 0.300 . 1 . . . . 36 LYS CG . 10028 1 362 . 1 1 36 36 LYS CD C 13 29.122 0.300 . 1 . . . . 36 LYS CD . 10028 1 363 . 1 1 36 36 LYS CE C 13 42.399 0.300 . 1 . . . . 36 LYS CE . 10028 1 364 . 1 1 36 36 LYS N N 15 118.614 0.300 . 1 . . . . 36 LYS N . 10028 1 365 . 1 1 37 37 ARG H H 1 7.409 0.030 . 1 . . . . 37 ARG H . 10028 1 366 . 1 1 37 37 ARG HA H 1 4.914 0.030 . 1 . . . . 37 ARG HA . 10028 1 367 . 1 1 37 37 ARG HB2 H 1 1.464 0.030 . 2 . . . . 37 ARG HB2 . 10028 1 368 . 1 1 37 37 ARG HB3 H 1 1.750 0.030 . 2 . . . . 37 ARG HB3 . 10028 1 369 . 1 1 37 37 ARG HG2 H 1 1.501 0.030 . 2 . . . . 37 ARG HG2 . 10028 1 370 . 1 1 37 37 ARG HG3 H 1 1.407 0.030 . 2 . . . . 37 ARG HG3 . 10028 1 371 . 1 1 37 37 ARG HD2 H 1 3.161 0.030 . 2 . . . . 37 ARG HD2 . 10028 1 372 . 1 1 37 37 ARG HD3 H 1 3.209 0.030 . 2 . . . . 37 ARG HD3 . 10028 1 373 . 1 1 37 37 ARG C C 13 173.095 0.300 . 1 . . . . 37 ARG C . 10028 1 374 . 1 1 37 37 ARG CA C 13 54.130 0.300 . 1 . . . . 37 ARG CA . 10028 1 375 . 1 1 37 37 ARG CB C 13 34.547 0.300 . 1 . . . . 37 ARG CB . 10028 1 376 . 1 1 37 37 ARG CG C 13 27.042 0.300 . 1 . . . . 37 ARG CG . 10028 1 377 . 1 1 37 37 ARG CD C 13 43.231 0.300 . 1 . . . . 37 ARG CD . 10028 1 378 . 1 1 37 37 ARG N N 15 117.048 0.300 . 1 . . . . 37 ARG N . 10028 1 379 . 1 1 38 38 ALA H H 1 7.262 0.030 . 1 . . . . 38 ALA H . 10028 1 380 . 1 1 38 38 ALA HA H 1 5.402 0.030 . 1 . . . . 38 ALA HA . 10028 1 381 . 1 1 38 38 ALA HB1 H 1 0.667 0.030 . 1 . . . . 38 ALA HB . 10028 1 382 . 1 1 38 38 ALA HB2 H 1 0.667 0.030 . 1 . . . . 38 ALA HB . 10028 1 383 . 1 1 38 38 ALA HB3 H 1 0.667 0.030 . 1 . . . . 38 ALA HB . 10028 1 384 . 1 1 38 38 ALA C C 13 175.474 0.300 . 1 . . . . 38 ALA C . 10028 1 385 . 1 1 38 38 ALA CA C 13 49.158 0.300 . 1 . . . . 38 ALA CA . 10028 1 386 . 1 1 38 38 ALA CB C 13 21.850 0.300 . 1 . . . . 38 ALA CB . 10028 1 387 . 1 1 38 38 ALA N N 15 122.071 0.300 . 1 . . . . 38 ALA N . 10028 1 388 . 1 1 39 39 GLN H H 1 9.369 0.030 . 1 . . . . 39 GLN H . 10028 1 389 . 1 1 39 39 GLN HA H 1 4.699 0.030 . 1 . . . . 39 GLN HA . 10028 1 390 . 1 1 39 39 GLN HB2 H 1 2.215 0.030 . 2 . . . . 39 GLN HB2 . 10028 1 391 . 1 1 39 39 GLN HB3 H 1 2.383 0.030 . 2 . . . . 39 GLN HB3 . 10028 1 392 . 1 1 39 39 GLN HG2 H 1 2.622 0.030 . 2 . . . . 39 GLN HG2 . 10028 1 393 . 1 1 39 39 GLN HG3 H 1 2.410 0.030 . 2 . . . . 39 GLN HG3 . 10028 1 394 . 1 1 39 39 GLN HE21 H 1 7.674 0.030 . 2 . . . . 39 GLN HE21 . 10028 1 395 . 1 1 39 39 GLN HE22 H 1 7.118 0.030 . 2 . . . . 39 GLN HE22 . 10028 1 396 . 1 1 39 39 GLN C C 13 174.382 0.300 . 1 . . . . 39 GLN C . 10028 1 397 . 1 1 39 39 GLN CA C 13 54.528 0.300 . 1 . . . . 39 GLN CA . 10028 1 398 . 1 1 39 39 GLN CB C 13 32.591 0.300 . 1 . . . . 39 GLN CB . 10028 1 399 . 1 1 39 39 GLN CG C 13 32.283 0.300 . 1 . . . . 39 GLN CG . 10028 1 400 . 1 1 39 39 GLN N N 15 114.178 0.300 . 1 . . . . 39 GLN N . 10028 1 401 . 1 1 39 39 GLN NE2 N 15 113.769 0.300 . 1 . . . . 39 GLN NE2 . 10028 1 402 . 1 1 40 40 TYR H H 1 8.833 0.030 . 1 . . . . 40 TYR H . 10028 1 403 . 1 1 40 40 TYR HA H 1 4.874 0.030 . 1 . . . . 40 TYR HA . 10028 1 404 . 1 1 40 40 TYR HB2 H 1 2.892 0.030 . 2 . . . . 40 TYR HB2 . 10028 1 405 . 1 1 40 40 TYR HB3 H 1 3.523 0.030 . 2 . . . . 40 TYR HB3 . 10028 1 406 . 1 1 40 40 TYR HD1 H 1 7.352 0.030 . 1 . . . . 40 TYR HD1 . 10028 1 407 . 1 1 40 40 TYR HD2 H 1 7.352 0.030 . 1 . . . . 40 TYR HD2 . 10028 1 408 . 1 1 40 40 TYR HE1 H 1 6.659 0.030 . 1 . . . . 40 TYR HE1 . 10028 1 409 . 1 1 40 40 TYR HE2 H 1 6.659 0.030 . 1 . . . . 40 TYR HE2 . 10028 1 410 . 1 1 40 40 TYR C C 13 175.523 0.300 . 1 . . . . 40 TYR C . 10028 1 411 . 1 1 40 40 TYR CA C 13 59.595 0.300 . 1 . . . . 40 TYR CA . 10028 1 412 . 1 1 40 40 TYR CB C 13 38.203 0.300 . 1 . . . . 40 TYR CB . 10028 1 413 . 1 1 40 40 TYR CD1 C 13 132.988 0.300 . 1 . . . . 40 TYR CD1 . 10028 1 414 . 1 1 40 40 TYR CD2 C 13 132.988 0.300 . 1 . . . . 40 TYR CD2 . 10028 1 415 . 1 1 40 40 TYR CE1 C 13 118.002 0.300 . 1 . . . . 40 TYR CE1 . 10028 1 416 . 1 1 40 40 TYR CE2 C 13 118.002 0.300 . 1 . . . . 40 TYR CE2 . 10028 1 417 . 1 1 40 40 TYR N N 15 120.309 0.300 . 1 . . . . 40 TYR N . 10028 1 418 . 1 1 41 41 ARG H H 1 7.533 0.030 . 1 . . . . 41 ARG H . 10028 1 419 . 1 1 41 41 ARG HA H 1 4.597 0.030 . 1 . . . . 41 ARG HA . 10028 1 420 . 1 1 41 41 ARG HB2 H 1 1.754 0.030 . 1 . . . . 41 ARG HB2 . 10028 1 421 . 1 1 41 41 ARG HB3 H 1 1.754 0.030 . 1 . . . . 41 ARG HB3 . 10028 1 422 . 1 1 41 41 ARG HG2 H 1 1.678 0.030 . 2 . . . . 41 ARG HG2 . 10028 1 423 . 1 1 41 41 ARG HG3 H 1 1.622 0.030 . 2 . . . . 41 ARG HG3 . 10028 1 424 . 1 1 41 41 ARG HD2 H 1 3.191 0.030 . 2 . . . . 41 ARG HD2 . 10028 1 425 . 1 1 41 41 ARG C C 13 174.795 0.300 . 1 . . . . 41 ARG C . 10028 1 426 . 1 1 41 41 ARG CA C 13 54.731 0.300 . 1 . . . . 41 ARG CA . 10028 1 427 . 1 1 41 41 ARG CB C 13 31.905 0.300 . 1 . . . . 41 ARG CB . 10028 1 428 . 1 1 41 41 ARG CG C 13 26.960 0.300 . 1 . . . . 41 ARG CG . 10028 1 429 . 1 1 41 41 ARG CD C 13 43.443 0.300 . 1 . . . . 41 ARG CD . 10028 1 430 . 1 1 41 41 ARG N N 15 118.237 0.300 . 1 . . . . 41 ARG N . 10028 1 431 . 1 1 42 42 HIS H H 1 8.743 0.030 . 1 . . . . 42 HIS H . 10028 1 432 . 1 1 42 42 HIS HA H 1 2.737 0.030 . 1 . . . . 42 HIS HA . 10028 1 433 . 1 1 42 42 HIS HB2 H 1 2.635 0.030 . 2 . . . . 42 HIS HB2 . 10028 1 434 . 1 1 42 42 HIS HB3 H 1 2.738 0.030 . 2 . . . . 42 HIS HB3 . 10028 1 435 . 1 1 42 42 HIS HD2 H 1 7.073 0.030 . 1 . . . . 42 HIS HD2 . 10028 1 436 . 1 1 42 42 HIS HE1 H 1 7.583 0.030 . 1 . . . . 42 HIS HE1 . 10028 1 437 . 1 1 42 42 HIS C C 13 175.305 0.300 . 1 . . . . 42 HIS C . 10028 1 438 . 1 1 42 42 HIS CA C 13 55.411 0.300 . 1 . . . . 42 HIS CA . 10028 1 439 . 1 1 42 42 HIS CB C 13 30.751 0.300 . 1 . . . . 42 HIS CB . 10028 1 440 . 1 1 42 42 HIS CD2 C 13 118.975 0.300 . 1 . . . . 42 HIS CD2 . 10028 1 441 . 1 1 42 42 HIS CE1 C 13 138.526 0.300 . 1 . . . . 42 HIS CE1 . 10028 1 442 . 1 1 42 42 HIS N N 15 126.651 0.300 . 1 . . . . 42 HIS N . 10028 1 443 . 1 1 43 43 PRO HA H 1 3.776 0.030 . 1 . . . . 43 PRO HA . 10028 1 444 . 1 1 43 43 PRO HB2 H 1 0.766 0.030 . 2 . . . . 43 PRO HB2 . 10028 1 445 . 1 1 43 43 PRO HB3 H 1 0.377 0.030 . 2 . . . . 43 PRO HB3 . 10028 1 446 . 1 1 43 43 PRO HG2 H 1 0.017 0.030 . 2 . . . . 43 PRO HG2 . 10028 1 447 . 1 1 43 43 PRO HG3 H 1 0.575 0.030 . 2 . . . . 43 PRO HG3 . 10028 1 448 . 1 1 43 43 PRO HD2 H 1 2.103 0.030 . 2 . . . . 43 PRO HD2 . 10028 1 449 . 1 1 43 43 PRO HD3 H 1 1.575 0.030 . 2 . . . . 43 PRO HD3 . 10028 1 450 . 1 1 43 43 PRO CA C 13 63.190 0.300 . 1 . . . . 43 PRO CA . 10028 1 451 . 1 1 43 43 PRO CB C 13 30.502 0.300 . 1 . . . . 43 PRO CB . 10028 1 452 . 1 1 43 43 PRO CG C 13 26.774 0.300 . 1 . . . . 43 PRO CG . 10028 1 453 . 1 1 43 43 PRO CD C 13 49.478 0.300 . 1 . . . . 43 PRO CD . 10028 1 454 . 1 1 44 44 SER H H 1 10.099 0.030 . 1 . . . . 44 SER H . 10028 1 455 . 1 1 44 44 SER HA H 1 3.876 0.030 . 1 . . . . 44 SER HA . 10028 1 456 . 1 1 44 44 SER HB2 H 1 3.775 0.030 . 2 . . . . 44 SER HB2 . 10028 1 457 . 1 1 44 44 SER CA C 13 58.400 0.300 . 1 . . . . 44 SER CA . 10028 1 458 . 1 1 44 44 SER CB C 13 64.085 0.300 . 1 . . . . 44 SER CB . 10028 1 459 . 1 1 44 44 SER N N 15 118.725 0.300 . 1 . . . . 44 SER N . 10028 1 460 . 1 1 45 45 GLY H H 1 7.877 0.030 . 1 . . . . 45 GLY H . 10028 1 461 . 1 1 45 45 GLY HA2 H 1 4.035 0.030 . 2 . . . . 45 GLY HA2 . 10028 1 462 . 1 1 45 45 GLY HA3 H 1 3.910 0.030 . 2 . . . . 45 GLY HA3 . 10028 1 463 . 1 1 45 45 GLY CA C 13 44.506 0.300 . 1 . . . . 45 GLY CA . 10028 1 464 . 1 1 45 45 GLY N N 15 109.919 0.300 . 1 . . . . 45 GLY N . 10028 1 465 . 1 1 46 46 PRO HA H 1 4.427 0.030 . 1 . . . . 46 PRO HA . 10028 1 466 . 1 1 46 46 PRO HB2 H 1 1.947 0.030 . 2 . . . . 46 PRO HB2 . 10028 1 467 . 1 1 46 46 PRO HB3 H 1 2.251 0.030 . 2 . . . . 46 PRO HB3 . 10028 1 468 . 1 1 46 46 PRO HG2 H 1 1.959 0.030 . 1 . . . . 46 PRO HG2 . 10028 1 469 . 1 1 46 46 PRO HG3 H 1 1.959 0.030 . 1 . . . . 46 PRO HG3 . 10028 1 470 . 1 1 46 46 PRO HD2 H 1 3.538 0.030 . 2 . . . . 46 PRO HD2 . 10028 1 471 . 1 1 46 46 PRO CA C 13 63.096 0.300 . 1 . . . . 46 PRO CA . 10028 1 472 . 1 1 46 46 PRO CB C 13 32.167 0.300 . 1 . . . . 46 PRO CB . 10028 1 473 . 1 1 46 46 PRO CG C 13 27.078 0.300 . 1 . . . . 46 PRO CG . 10028 1 474 . 1 1 46 46 PRO CD C 13 49.732 0.300 . 1 . . . . 46 PRO CD . 10028 1 475 . 1 1 47 47 SER HA H 1 4.417 0.030 . 1 . . . . 47 SER HA . 10028 1 476 . 1 1 47 47 SER HB2 H 1 3.863 0.030 . 1 . . . . 47 SER HB2 . 10028 1 477 . 1 1 47 47 SER HB3 H 1 3.863 0.030 . 1 . . . . 47 SER HB3 . 10028 1 478 . 1 1 47 47 SER C C 13 174.625 0.300 . 1 . . . . 47 SER C . 10028 1 479 . 1 1 47 47 SER CA C 13 58.467 0.300 . 1 . . . . 47 SER CA . 10028 1 480 . 1 1 47 47 SER CB C 13 63.552 0.300 . 1 . . . . 47 SER CB . 10028 1 481 . 1 1 48 48 SER H H 1 8.234 0.030 . 1 . . . . 48 SER H . 10028 1 482 . 1 1 48 48 SER HA H 1 4.449 0.030 . 1 . . . . 48 SER HA . 10028 1 483 . 1 1 48 48 SER HB2 H 1 3.819 0.030 . 1 . . . . 48 SER HB2 . 10028 1 484 . 1 1 48 48 SER HB3 H 1 3.819 0.030 . 1 . . . . 48 SER HB3 . 10028 1 485 . 1 1 48 48 SER C C 13 173.823 0.300 . 1 . . . . 48 SER C . 10028 1 486 . 1 1 48 48 SER CA C 13 58.326 0.300 . 1 . . . . 48 SER CA . 10028 1 487 . 1 1 48 48 SER CB C 13 64.047 0.300 . 1 . . . . 48 SER CB . 10028 1 488 . 1 1 48 48 SER N N 15 117.482 0.300 . 1 . . . . 48 SER N . 10028 1 489 . 1 1 49 49 GLY H H 1 8.038 0.030 . 1 . . . . 49 GLY H . 10028 1 490 . 1 1 49 49 GLY C C 13 178.971 0.300 . 1 . . . . 49 GLY C . 10028 1 491 . 1 1 49 49 GLY CA C 13 46.195 0.300 . 1 . . . . 49 GLY CA . 10028 1 492 . 1 1 49 49 GLY N N 15 116.688 0.300 . 1 . . . . 49 GLY N . 10028 1 stop_ save_