################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16703 _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 $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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-15N HSQC' . . . 16703 1 2 '2D 1H-13C HSQC' . . . 16703 1 3 '2D 1H-1H TOCSY' . . . 16703 1 4 '2D 1H-1H NOESY' . . . 16703 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $SPARKY . . 16703 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLU HA H 1 3.915 0.02 . 1 . . . . 1 GLU HA . 16703 1 2 . 1 1 1 1 GLU HB2 H 1 2.011 0.004 . 1 . . . . 1 GLU HB2 . 16703 1 3 . 1 1 1 1 GLU HB3 H 1 2.011 0.004 . 1 . . . . 1 GLU HB3 . 16703 1 4 . 1 1 1 1 GLU HG2 H 1 2.407 0.002 . 1 . . . . 1 GLU HG2 . 16703 1 5 . 1 1 1 1 GLU HG3 H 1 2.407 0.002 . 1 . . . . 1 GLU HG3 . 16703 1 6 . 1 1 1 1 GLU CB C 13 28.693 0.2 . 1 . . . . 1 GLU CB . 16703 1 7 . 1 1 1 1 GLU CG C 13 31.921 0.2 . 1 . . . . 1 GLU CG . 16703 1 8 . 1 1 2 2 ALA H H 1 8.563 0.004 . 1 . . . . 2 ALA H . 16703 1 9 . 1 1 2 2 ALA HA H 1 4.198 0.004 . 1 . . . . 2 ALA HA . 16703 1 10 . 1 1 2 2 ALA HB1 H 1 1.224 0.004 . 1 . . . . 2 ALA QB . 16703 1 11 . 1 1 2 2 ALA HB2 H 1 1.224 0.004 . 1 . . . . 2 ALA QB . 16703 1 12 . 1 1 2 2 ALA HB3 H 1 1.224 0.004 . 1 . . . . 2 ALA QB . 16703 1 13 . 1 1 2 2 ALA CA C 13 52.272 0.2 . 1 . . . . 2 ALA CA . 16703 1 14 . 1 1 2 2 ALA CB C 13 19.191 0.2 . 1 . . . . 2 ALA CB . 16703 1 15 . 1 1 2 2 ALA N N 15 127.199 0.2 . 1 . . . . 2 ALA N . 16703 1 16 . 1 1 3 3 ALA H H 1 8.197 0.003 . 1 . . . . 3 ALA H . 16703 1 17 . 1 1 3 3 ALA HA H 1 4.162 0.007 . 1 . . . . 3 ALA HA . 16703 1 18 . 1 1 3 3 ALA HB1 H 1 1.190 0.003 . 1 . . . . 3 ALA QB . 16703 1 19 . 1 1 3 3 ALA HB2 H 1 1.190 0.003 . 1 . . . . 3 ALA QB . 16703 1 20 . 1 1 3 3 ALA HB3 H 1 1.190 0.003 . 1 . . . . 3 ALA QB . 16703 1 21 . 1 1 3 3 ALA CA C 13 52.009 0.2 . 1 . . . . 3 ALA CA . 16703 1 22 . 1 1 3 3 ALA CB C 13 19.315 0.2 . 1 . . . . 3 ALA CB . 16703 1 23 . 1 1 3 3 ALA N N 15 124.191 0.2 . 1 . . . . 3 ALA N . 16703 1 24 . 1 1 4 4 VAL H H 1 8.014 0.003 . 1 . . . . 4 VAL H . 16703 1 25 . 1 1 4 4 VAL HA H 1 3.834 0.003 . 1 . . . . 4 VAL HA . 16703 1 26 . 1 1 4 4 VAL HB H 1 1.819 0.005 . 1 . . . . 4 VAL HB . 16703 1 27 . 1 1 4 4 VAL HG11 H 1 0.731 0.002 . 2 . . . . 4 VAL QG1 . 16703 1 28 . 1 1 4 4 VAL HG12 H 1 0.731 0.002 . 2 . . . . 4 VAL QG1 . 16703 1 29 . 1 1 4 4 VAL HG13 H 1 0.731 0.002 . 2 . . . . 4 VAL QG1 . 16703 1 30 . 1 1 4 4 VAL HG21 H 1 0.740 0.006 . 2 . . . . 4 VAL QG2 . 16703 1 31 . 1 1 4 4 VAL HG22 H 1 0.740 0.006 . 2 . . . . 4 VAL QG2 . 16703 1 32 . 1 1 4 4 VAL HG23 H 1 0.740 0.006 . 2 . . . . 4 VAL QG2 . 16703 1 33 . 1 1 4 4 VAL CA C 13 62.114 0.2 . 1 . . . . 4 VAL CA . 16703 1 34 . 1 1 4 4 VAL CB C 13 32.606 0.2 . 1 . . . . 4 VAL CB . 16703 1 35 . 1 1 4 4 VAL CG1 C 13 21.065 0.2 . 1 . . . . 4 VAL CG1 . 16703 1 36 . 1 1 4 4 VAL CG2 C 13 20.338 0.2 . 1 . . . . 4 VAL CG2 . 16703 1 37 . 1 1 4 4 VAL N N 15 119.993 0.2 . 1 . . . . 4 VAL N . 16703 1 38 . 1 1 5 5 CYS H H 1 7.557 0.002 . 1 . . . . 5 CYS H . 16703 1 39 . 1 1 5 5 CYS HA H 1 4.507 0.001 . 1 . . . . 5 CYS HA . 16703 1 40 . 1 1 5 5 CYS HB2 H 1 0.488 0.003 . 1 . . . . 5 CYS HB2 . 16703 1 41 . 1 1 5 5 CYS HB3 H 1 1.891 0.003 . 1 . . . . 5 CYS HB3 . 16703 1 42 . 1 1 5 5 CYS CB C 13 34.880 0.001 . 1 . . . . 5 CYS CB . 16703 1 43 . 1 1 5 5 CYS N N 15 121.625 0.2 . 1 . . . . 5 CYS N . 16703 1 44 . 1 1 6 6 THR H H 1 8.487 0.004 . 1 . . . . 6 THR H . 16703 1 45 . 1 1 6 6 THR HA H 1 4.655 0.02 . 1 . . . . 6 THR HA . 16703 1 46 . 1 1 6 6 THR HG21 H 1 1.400 0.002 . 1 . . . . 6 THR QG2 . 16703 1 47 . 1 1 6 6 THR HG22 H 1 1.400 0.002 . 1 . . . . 6 THR QG2 . 16703 1 48 . 1 1 6 6 THR HG23 H 1 1.400 0.002 . 1 . . . . 6 THR QG2 . 16703 1 49 . 1 1 6 6 THR CG2 C 13 18.456 0.2 . 1 . . . . 6 THR CG2 . 16703 1 50 . 1 1 7 7 THR H H 1 8.274 0.001 . 1 . . . . 7 THR H . 16703 1 51 . 1 1 7 7 THR HA H 1 4.518 0.02 . 1 . . . . 7 THR HA . 16703 1 52 . 1 1 7 7 THR HB H 1 4.441 0.009 . 1 . . . . 7 THR HB . 16703 1 53 . 1 1 7 7 THR HG21 H 1 1.140 0.008 . 1 . . . . 7 THR QG2 . 16703 1 54 . 1 1 7 7 THR HG22 H 1 1.140 0.008 . 1 . . . . 7 THR QG2 . 16703 1 55 . 1 1 7 7 THR HG23 H 1 1.140 0.008 . 1 . . . . 7 THR QG2 . 16703 1 56 . 1 1 7 7 THR CA C 13 60.712 0.2 . 1 . . . . 7 THR CA . 16703 1 57 . 1 1 7 7 THR CB C 13 70.885 0.2 . 1 . . . . 7 THR CB . 16703 1 58 . 1 1 7 7 THR CG2 C 13 21.008 0.2 . 1 . . . . 7 THR CG2 . 16703 1 59 . 1 1 7 7 THR N N 15 112.339 0.2 . 1 . . . . 7 THR N . 16703 1 60 . 1 1 8 8 GLU H H 1 7.488 0.001 . 1 . . . . 8 GLU H . 16703 1 61 . 1 1 8 8 GLU HA H 1 3.982 0.002 . 1 . . . . 8 GLU HA . 16703 1 62 . 1 1 8 8 GLU HB2 H 1 1.947 0.001 . 1 . . . . 8 GLU HB2 . 16703 1 63 . 1 1 8 8 GLU HB3 H 1 1.841 0.006 . 1 . . . . 8 GLU HB3 . 16703 1 64 . 1 1 8 8 GLU HG2 H 1 2.355 0.002 . 1 . . . . 8 GLU HG2 . 16703 1 65 . 1 1 8 8 GLU HG3 H 1 2.250 0.005 . 1 . . . . 8 GLU HG3 . 16703 1 66 . 1 1 8 8 GLU CA C 13 57.002 0.2 . 1 . . . . 8 GLU CA . 16703 1 67 . 1 1 8 8 GLU CB C 13 28.544 0.003 . 1 . . . . 8 GLU CB . 16703 1 68 . 1 1 8 8 GLU CG C 13 32.621 0.001 . 1 . . . . 8 GLU CG . 16703 1 69 . 1 1 8 8 GLU N N 15 120.013 0.2 . 1 . . . . 8 GLU N . 16703 1 70 . 1 1 9 9 TRP H H 1 8.727 0.001 . 1 . . . . 9 TRP H . 16703 1 71 . 1 1 9 9 TRP HA H 1 4.848 0.003 . 1 . . . . 9 TRP HA . 16703 1 72 . 1 1 9 9 TRP HB2 H 1 3.083 0.004 . 1 . . . . 9 TRP HB2 . 16703 1 73 . 1 1 9 9 TRP HB3 H 1 3.273 0.001 . 1 . . . . 9 TRP HB3 . 16703 1 74 . 1 1 9 9 TRP HD1 H 1 7.109 0.002 . 1 . . . . 9 TRP HD1 . 16703 1 75 . 1 1 9 9 TRP HE1 H 1 10.051 0.001 . 1 . . . . 9 TRP HE1 . 16703 1 76 . 1 1 9 9 TRP HE3 H 1 7.618 0.001 . 1 . . . . 9 TRP HE3 . 16703 1 77 . 1 1 9 9 TRP HH2 H 1 6.993 0.003 . 1 . . . . 9 TRP HH2 . 16703 1 78 . 1 1 9 9 TRP HZ2 H 1 7.338 0.001 . 1 . . . . 9 TRP HZ2 . 16703 1 79 . 1 1 9 9 TRP HZ3 H 1 6.930 0.001 . 1 . . . . 9 TRP HZ3 . 16703 1 80 . 1 1 9 9 TRP CA C 13 56.549 0.2 . 1 . . . . 9 TRP CA . 16703 1 81 . 1 1 9 9 TRP CB C 13 29.206 0.2 . 1 . . . . 9 TRP CB . 16703 1 82 . 1 1 9 9 TRP CD1 C 13 128.121 0.2 . 1 . . . . 9 TRP CD1 . 16703 1 83 . 1 1 9 9 TRP CE3 C 13 121.489 0.2 . 1 . . . . 9 TRP CE3 . 16703 1 84 . 1 1 9 9 TRP CH2 C 13 124.440 0.2 . 1 . . . . 9 TRP CH2 . 16703 1 85 . 1 1 9 9 TRP CZ2 C 13 114.292 0.2 . 1 . . . . 9 TRP CZ2 . 16703 1 86 . 1 1 9 9 TRP CZ3 C 13 121.793 0.2 . 1 . . . . 9 TRP CZ3 . 16703 1 87 . 1 1 9 9 TRP N N 15 127.379 0.2 . 1 . . . . 9 TRP N . 16703 1 88 . 1 1 9 9 TRP NE1 N 15 129.241 0.2 . 1 . . . . 9 TRP NE1 . 16703 1 89 . 1 1 10 10 ASP H H 1 8.692 0.001 . 1 . . . . 10 ASP H . 16703 1 90 . 1 1 10 10 ASP HA H 1 4.564 0.004 . 1 . . . . 10 ASP HA . 16703 1 91 . 1 1 10 10 ASP HB2 H 1 2.592 0.007 . 1 . . . . 10 ASP HB2 . 16703 1 92 . 1 1 10 10 ASP HB3 H 1 2.592 0.007 . 1 . . . . 10 ASP HB3 . 16703 1 93 . 1 1 10 10 ASP CA C 13 51.578 0.2 . 1 . . . . 10 ASP CA . 16703 1 94 . 1 1 10 10 ASP CB C 13 37.672 0.2 . 1 . . . . 10 ASP CB . 16703 1 95 . 1 1 10 10 ASP N N 15 125.690 0.2 . 1 . . . . 10 ASP N . 16703 1 96 . 1 1 11 11 PRO HA H 1 3.967 0.003 . 1 . . . . 11 PRO HA . 16703 1 97 . 1 1 11 11 PRO HB2 H 1 0.890 0.004 . 1 . . . . 11 PRO HB2 . 16703 1 98 . 1 1 11 11 PRO HB3 H 1 0.595 0.004 . 1 . . . . 11 PRO HB3 . 16703 1 99 . 1 1 11 11 PRO HD2 H 1 3.075 0.003 . 1 . . . . 11 PRO HD2 . 16703 1 100 . 1 1 11 11 PRO HD3 H 1 1.035 0.003 . 1 . . . . 11 PRO HD3 . 16703 1 101 . 1 1 11 11 PRO HG2 H 1 1.403 0.001 . 1 . . . . 11 PRO HG2 . 16703 1 102 . 1 1 11 11 PRO HG3 H 1 1.280 0.002 . 1 . . . . 11 PRO HG3 . 16703 1 103 . 1 1 11 11 PRO CA C 13 62.800 0.2 . 1 . . . . 11 PRO CA . 16703 1 104 . 1 1 11 11 PRO CB C 13 33.191 0.001 . 1 . . . . 11 PRO CB . 16703 1 105 . 1 1 11 11 PRO CD C 13 49.043 0.001 . 1 . . . . 11 PRO CD . 16703 1 106 . 1 1 11 11 PRO CG C 13 27.714 0.2 . 1 . . . . 11 PRO CG . 16703 1 107 . 1 1 12 12 VAL H H 1 7.969 0.004 . 1 . . . . 12 VAL H . 16703 1 108 . 1 1 12 12 VAL HA H 1 4.326 0.003 . 1 . . . . 12 VAL HA . 16703 1 109 . 1 1 12 12 VAL HB H 1 1.705 0.005 . 1 . . . . 12 VAL HB . 16703 1 110 . 1 1 12 12 VAL HG11 H 1 0.722 0.002 . 1 . . . . 12 VAL QG1 . 16703 1 111 . 1 1 12 12 VAL HG12 H 1 0.722 0.002 . 1 . . . . 12 VAL QG1 . 16703 1 112 . 1 1 12 12 VAL HG13 H 1 0.722 0.002 . 1 . . . . 12 VAL QG1 . 16703 1 113 . 1 1 12 12 VAL HG21 H 1 0.479 0.001 . 1 . . . . 12 VAL QG2 . 16703 1 114 . 1 1 12 12 VAL HG22 H 1 0.479 0.001 . 1 . . . . 12 VAL QG2 . 16703 1 115 . 1 1 12 12 VAL HG23 H 1 0.479 0.001 . 1 . . . . 12 VAL QG2 . 16703 1 116 . 1 1 12 12 VAL CA C 13 59.495 0.2 . 1 . . . . 12 VAL CA . 16703 1 117 . 1 1 12 12 VAL CB C 13 35.295 0.2 . 1 . . . . 12 VAL CB . 16703 1 118 . 1 1 12 12 VAL CG1 C 13 22.656 0.2 . 1 . . . . 12 VAL CG1 . 16703 1 119 . 1 1 12 12 VAL CG2 C 13 20.670 0.2 . 1 . . . . 12 VAL CG2 . 16703 1 120 . 1 1 12 12 VAL N N 15 109.977 0.2 . 1 . . . . 12 VAL N . 16703 1 121 . 1 1 13 13 CYS H H 1 8.271 0.001 . 1 . . . . 13 CYS H . 16703 1 122 . 1 1 13 13 CYS HA H 1 5.093 0.003 . 1 . . . . 13 CYS HA . 16703 1 123 . 1 1 13 13 CYS HB2 H 1 2.281 0.003 . 1 . . . . 13 CYS HB2 . 16703 1 124 . 1 1 13 13 CYS HB3 H 1 1.164 0.002 . 1 . . . . 13 CYS HB3 . 16703 1 125 . 1 1 13 13 CYS CA C 13 53.832 0.2 . 1 . . . . 13 CYS CA . 16703 1 126 . 1 1 13 13 CYS CB C 13 38.435 0.001 . 1 . . . . 13 CYS CB . 16703 1 127 . 1 1 13 13 CYS N N 15 120.135 0.2 . 1 . . . . 13 CYS N . 16703 1 128 . 1 1 14 14 GLY H H 1 9.469 0.001 . 1 . . . . 14 GLY H . 16703 1 129 . 1 1 14 14 GLY HA2 H 1 4.031 0.001 . 1 . . . . 14 GLY HA2 . 16703 1 130 . 1 1 14 14 GLY HA3 H 1 4.552 0.005 . 1 . . . . 14 GLY HA3 . 16703 1 131 . 1 1 14 14 GLY CA C 13 45.763 0.2 . 1 . . . . 14 GLY CA . 16703 1 132 . 1 1 14 14 GLY N N 15 116.365 0.2 . 1 . . . . 14 GLY N . 16703 1 133 . 1 1 15 15 LYS H H 1 8.703 0.003 . 1 . . . . 15 LYS H . 16703 1 134 . 1 1 15 15 LYS HA H 1 3.883 0.002 . 1 . . . . 15 LYS HA . 16703 1 135 . 1 1 15 15 LYS HB2 H 1 1.595 0.001 . 1 . . . . 15 LYS HB2 . 16703 1 136 . 1 1 15 15 LYS HB3 H 1 1.876 0.003 . 1 . . . . 15 LYS HB3 . 16703 1 137 . 1 1 15 15 LYS HD2 H 1 1.477 0.002 . 2 . . . . 15 LYS HD2 . 16703 1 138 . 1 1 15 15 LYS HD3 H 1 1.544 0.001 . 2 . . . . 15 LYS HD3 . 16703 1 139 . 1 1 15 15 LYS HE2 H 1 2.853 0.003 . 1 . . . . 15 LYS HE2 . 16703 1 140 . 1 1 15 15 LYS HE3 H 1 2.853 0.003 . 1 . . . . 15 LYS HE3 . 16703 1 141 . 1 1 15 15 LYS HG2 H 1 1.115 0.002 . 1 . . . . 15 LYS HG2 . 16703 1 142 . 1 1 15 15 LYS HG3 H 1 1.100 0.001 . 1 . . . . 15 LYS HG3 . 16703 1 143 . 1 1 15 15 LYS HZ1 H 1 7.456 0.002 . 1 . . . . 15 LYS HZ1 . 16703 1 144 . 1 1 15 15 LYS HZ2 H 1 7.456 0.002 . 1 . . . . 15 LYS HZ2 . 16703 1 145 . 1 1 15 15 LYS HZ3 H 1 7.456 0.002 . 1 . . . . 15 LYS HZ3 . 16703 1 146 . 1 1 15 15 LYS CA C 13 59.116 0.2 . 1 . . . . 15 LYS CA . 16703 1 147 . 1 1 15 15 LYS CB C 13 32.331 0.001 . 1 . . . . 15 LYS CB . 16703 1 148 . 1 1 15 15 LYS CD C 13 29.226 0.001 . 1 . . . . 15 LYS CD . 16703 1 149 . 1 1 15 15 LYS CG C 13 26.675 0.001 . 1 . . . . 15 LYS CG . 16703 1 150 . 1 1 15 15 LYS N N 15 121.851 0.2 . 1 . . . . 15 LYS N . 16703 1 151 . 1 1 16 16 ASP H H 1 8.170 0.002 . 1 . . . . 16 ASP H . 16703 1 152 . 1 1 16 16 ASP HA H 1 4.311 0.003 . 1 . . . . 16 ASP HA . 16703 1 153 . 1 1 16 16 ASP HB2 H 1 2.572 0.005 . 2 . . . . 16 ASP HB2 . 16703 1 154 . 1 1 16 16 ASP HB3 H 1 2.884 0.004 . 2 . . . . 16 ASP HB3 . 16703 1 155 . 1 1 16 16 ASP CA C 13 55.681 0.2 . 1 . . . . 16 ASP CA . 16703 1 156 . 1 1 16 16 ASP CB C 13 39.753 0.2 . 1 . . . . 16 ASP CB . 16703 1 157 . 1 1 16 16 ASP N N 15 116.171 0.2 . 1 . . . . 16 ASP N . 16703 1 158 . 1 1 17 17 GLY H H 1 8.097 0.002 . 1 . . . . 17 GLY H . 16703 1 159 . 1 1 17 17 GLY HA2 H 1 3.590 0.007 . 1 . . . . 17 GLY HA2 . 16703 1 160 . 1 1 17 17 GLY HA3 H 1 4.010 0.004 . 1 . . . . 17 GLY HA3 . 16703 1 161 . 1 1 17 17 GLY CA C 13 45.767 0.001 . 1 . . . . 17 GLY CA . 16703 1 162 . 1 1 17 17 GLY N N 15 108.564 0.2 . 1 . . . . 17 GLY N . 16703 1 163 . 1 1 18 18 LYS H H 1 7.770 0.002 . 1 . . . . 18 LYS H . 16703 1 164 . 1 1 18 18 LYS HA H 1 4.277 0.002 . 1 . . . . 18 LYS HA . 16703 1 165 . 1 1 18 18 LYS HB2 H 1 1.283 0.001 . 1 . . . . 18 LYS HB2 . 16703 1 166 . 1 1 18 18 LYS HB3 H 1 1.654 0.003 . 1 . . . . 18 LYS HB3 . 16703 1 167 . 1 1 18 18 LYS HD2 H 1 1.342 0.004 . 2 . . . . 18 LYS HD2 . 16703 1 168 . 1 1 18 18 LYS HD3 H 1 1.420 0.002 . 2 . . . . 18 LYS HD3 . 16703 1 169 . 1 1 18 18 LYS HE2 H 1 2.666 0.003 . 1 . . . . 18 LYS HE2 . 16703 1 170 . 1 1 18 18 LYS HE3 H 1 2.666 0.003 . 1 . . . . 18 LYS HE3 . 16703 1 171 . 1 1 18 18 LYS HG2 H 1 0.803 0.002 . 2 . . . . 18 LYS HG2 . 16703 1 172 . 1 1 18 18 LYS HG3 H 1 0.978 0.001 . 2 . . . . 18 LYS HG3 . 16703 1 173 . 1 1 18 18 LYS HZ1 H 1 7.316 0.002 . 1 . . . . 18 LYS HZ1 . 16703 1 174 . 1 1 18 18 LYS HZ2 H 1 7.316 0.002 . 1 . . . . 18 LYS HZ2 . 16703 1 175 . 1 1 18 18 LYS HZ3 H 1 7.316 0.002 . 1 . . . . 18 LYS HZ3 . 16703 1 176 . 1 1 18 18 LYS CA C 13 55.078 0.2 . 1 . . . . 18 LYS CA . 16703 1 177 . 1 1 18 18 LYS CB C 13 33.563 0.001 . 1 . . . . 18 LYS CB . 16703 1 178 . 1 1 18 18 LYS CD C 13 28.889 0.001 . 1 . . . . 18 LYS CD . 16703 1 179 . 1 1 18 18 LYS CE C 13 42.056 0.2 . 1 . . . . 18 LYS CE . 16703 1 180 . 1 1 18 18 LYS CG C 13 25.472 0.001 . 1 . . . . 18 LYS CG . 16703 1 181 . 1 1 18 18 LYS N N 15 121.705 0.2 . 1 . . . . 18 LYS N . 16703 1 182 . 1 1 19 19 THR H H 1 8.185 0.004 . 1 . . . . 19 THR H . 16703 1 183 . 1 1 19 19 THR HA H 1 4.731 0.004 . 1 . . . . 19 THR HA . 16703 1 184 . 1 1 19 19 THR HB H 1 3.866 0.007 . 1 . . . . 19 THR HB . 16703 1 185 . 1 1 19 19 THR HG21 H 1 1.015 0.004 . 1 . . . . 19 THR QG2 . 16703 1 186 . 1 1 19 19 THR HG22 H 1 1.015 0.004 . 1 . . . . 19 THR QG2 . 16703 1 187 . 1 1 19 19 THR HG23 H 1 1.015 0.004 . 1 . . . . 19 THR QG2 . 16703 1 188 . 1 1 19 19 THR CA C 13 62.667 0.2 . 1 . . . . 19 THR CA . 16703 1 189 . 1 1 19 19 THR CB C 13 69.475 0.2 . 1 . . . . 19 THR CB . 16703 1 190 . 1 1 19 19 THR CG2 C 13 23.686 0.2 . 1 . . . . 19 THR CG2 . 16703 1 191 . 1 1 19 19 THR N N 15 121.578 0.2 . 1 . . . . 19 THR N . 16703 1 192 . 1 1 20 20 TYR H H 1 9.204 0.001 . 1 . . . . 20 TYR H . 16703 1 193 . 1 1 20 20 TYR HA H 1 4.409 0.001 . 1 . . . . 20 TYR HA . 16703 1 194 . 1 1 20 20 TYR HB2 H 1 2.443 0.004 . 1 . . . . 20 TYR HB2 . 16703 1 195 . 1 1 20 20 TYR HB3 H 1 2.773 0.003 . 1 . . . . 20 TYR HB3 . 16703 1 196 . 1 1 20 20 TYR HD1 H 1 6.854 0.001 . 1 . . . . 20 TYR HD1 . 16703 1 197 . 1 1 20 20 TYR CA C 13 57.204 0.2 . 1 . . . . 20 TYR CA . 16703 1 198 . 1 1 20 20 TYR CB C 13 41.719 0.001 . 1 . . . . 20 TYR CB . 16703 1 199 . 1 1 20 20 TYR CD1 C 13 133.262 0.2 . 1 . . . . 20 TYR CD1 . 16703 1 200 . 1 1 21 21 SER H H 1 8.990 0.2 . 1 . . . . 21 SER H . 16703 1 201 . 1 1 21 21 SER HA H 1 3.719 0.002 . 1 . . . . 21 SER HA . 16703 1 202 . 1 1 21 21 SER HB2 H 1 3.798 0.004 . 2 . . . . 21 SER HB2 . 16703 1 203 . 1 1 21 21 SER HB3 H 1 3.947 0.004 . 2 . . . . 21 SER HB3 . 16703 1 204 . 1 1 21 21 SER CA C 13 61.937 0.2 . 1 . . . . 21 SER CA . 16703 1 205 . 1 1 21 21 SER CB C 13 63.384 0.001 . 1 . . . . 21 SER CB . 16703 1 206 . 1 1 21 21 SER N N 15 116.869 0.2 . 1 . . . . 21 SER N . 16703 1 207 . 1 1 22 22 ASN H H 1 7.245 0.001 . 1 . . . . 22 ASN H . 16703 1 208 . 1 1 22 22 ASN HA H 1 4.697 0.02 . 1 . . . . 22 ASN HA . 16703 1 209 . 1 1 22 22 ASN HB2 H 1 3.334 0.003 . 1 . . . . 22 ASN HB2 . 16703 1 210 . 1 1 22 22 ASN HB3 H 1 2.900 0.001 . 1 . . . . 22 ASN HB3 . 16703 1 211 . 1 1 22 22 ASN HD21 H 1 8.458 0.02 . 1 . . . . 22 ASN HD21 . 16703 1 212 . 1 1 22 22 ASN HD22 H 1 6.514 0.003 . 1 . . . . 22 ASN HD22 . 16703 1 213 . 1 1 22 22 ASN CA C 13 52.886 0.2 . 1 . . . . 22 ASN CA . 16703 1 214 . 1 1 22 22 ASN CB C 13 39.989 0.001 . 1 . . . . 22 ASN CB . 16703 1 215 . 1 1 22 22 ASN N N 15 105.510 0.2 . 1 . . . . 22 ASN N . 16703 1 216 . 1 1 22 22 ASN ND2 N 15 116.904 0.2 . 1 . . . . 22 ASN ND2 . 16703 1 217 . 1 1 23 23 LEU H H 1 8.686 0.001 . 1 . . . . 23 LEU H . 16703 1 218 . 1 1 23 23 LEU HA H 1 3.752 0.003 . 1 . . . . 23 LEU HA . 16703 1 219 . 1 1 23 23 LEU HB2 H 1 1.448 0.005 . 1 . . . . 23 LEU HB2 . 16703 1 220 . 1 1 23 23 LEU HB3 H 1 1.542 0.001 . 1 . . . . 23 LEU HB3 . 16703 1 221 . 1 1 23 23 LEU HD11 H 1 0.745 0.004 . 1 . . . . 23 LEU QD1 . 16703 1 222 . 1 1 23 23 LEU HD12 H 1 0.745 0.004 . 1 . . . . 23 LEU QD1 . 16703 1 223 . 1 1 23 23 LEU HD13 H 1 0.745 0.004 . 1 . . . . 23 LEU QD1 . 16703 1 224 . 1 1 23 23 LEU HD21 H 1 0.800 0.001 . 1 . . . . 23 LEU QD2 . 16703 1 225 . 1 1 23 23 LEU HD22 H 1 0.800 0.001 . 1 . . . . 23 LEU QD2 . 16703 1 226 . 1 1 23 23 LEU HD23 H 1 0.800 0.001 . 1 . . . . 23 LEU QD2 . 16703 1 227 . 1 1 23 23 LEU HG H 1 1.597 0.003 . 1 . . . . 23 LEU HG . 16703 1 228 . 1 1 23 23 LEU CA C 13 57.494 0.2 . 1 . . . . 23 LEU CA . 16703 1 229 . 1 1 23 23 LEU CB C 13 42.819 0.2 . 1 . . . . 23 LEU CB . 16703 1 230 . 1 1 23 23 LEU CD1 C 13 25.227 0.2 . 1 . . . . 23 LEU CD1 . 16703 1 231 . 1 1 23 23 LEU CD2 C 13 24.624 0.2 . 1 . . . . 23 LEU CD2 . 16703 1 232 . 1 1 23 23 LEU CG C 13 26.547 0.2 . 1 . . . . 23 LEU CG . 16703 1 233 . 1 1 23 23 LEU N N 15 118.677 0.2 . 1 . . . . 23 LEU N . 16703 1 234 . 1 1 24 24 CYS H H 1 8.056 0.001 . 1 . . . . 24 CYS H . 16703 1 235 . 1 1 24 24 CYS HA H 1 4.027 0.001 . 1 . . . . 24 CYS HA . 16703 1 236 . 1 1 24 24 CYS HB2 H 1 3.089 0.001 . 1 . . . . 24 CYS HB2 . 16703 1 237 . 1 1 24 24 CYS HB3 H 1 2.611 0.003 . 1 . . . . 24 CYS HB3 . 16703 1 238 . 1 1 24 24 CYS CA C 13 60.547 0.2 . 1 . . . . 24 CYS CA . 16703 1 239 . 1 1 24 24 CYS CB C 13 35.034 0.2 . 1 . . . . 24 CYS CB . 16703 1 240 . 1 1 24 24 CYS N N 15 119.408 0.2 . 1 . . . . 24 CYS N . 16703 1 241 . 1 1 25 25 TRP H H 1 7.480 0.003 . 1 . . . . 25 TRP H . 16703 1 242 . 1 1 25 25 TRP HA H 1 4.263 0.006 . 1 . . . . 25 TRP HA . 16703 1 243 . 1 1 25 25 TRP HB2 H 1 3.646 0.002 . 1 . . . . 25 TRP HB2 . 16703 1 244 . 1 1 25 25 TRP HB3 H 1 3.121 0.005 . 1 . . . . 25 TRP HB3 . 16703 1 245 . 1 1 25 25 TRP HD1 H 1 7.240 0.001 . 1 . . . . 25 TRP HD1 . 16703 1 246 . 1 1 25 25 TRP HE1 H 1 9.668 0.001 . 1 . . . . 25 TRP HE1 . 16703 1 247 . 1 1 25 25 TRP HE3 H 1 7.742 0.003 . 1 . . . . 25 TRP HE3 . 16703 1 248 . 1 1 25 25 TRP HH2 H 1 7.128 0.005 . 1 . . . . 25 TRP HH2 . 16703 1 249 . 1 1 25 25 TRP HZ2 H 1 7.155 0.004 . 1 . . . . 25 TRP HZ2 . 16703 1 250 . 1 1 25 25 TRP HZ3 H 1 7.056 0.001 . 1 . . . . 25 TRP HZ3 . 16703 1 251 . 1 1 25 25 TRP CA C 13 59.907 0.2 . 1 . . . . 25 TRP CA . 16703 1 252 . 1 1 25 25 TRP CB C 13 30.486 0.2 . 1 . . . . 25 TRP CB . 16703 1 253 . 1 1 25 25 TRP CD1 C 13 128.463 0.2 . 1 . . . . 25 TRP CD1 . 16703 1 254 . 1 1 25 25 TRP CE3 C 13 121.231 0.2 . 1 . . . . 25 TRP CE3 . 16703 1 255 . 1 1 25 25 TRP CH2 C 13 124.721 0.2 . 1 . . . . 25 TRP CH2 . 16703 1 256 . 1 1 25 25 TRP CZ2 C 13 114.999 0.2 . 1 . . . . 25 TRP CZ2 . 16703 1 257 . 1 1 25 25 TRP CZ3 C 13 122.217 0.2 . 1 . . . . 25 TRP CZ3 . 16703 1 258 . 1 1 25 25 TRP N N 15 120.460 0.2 . 1 . . . . 25 TRP N . 16703 1 259 . 1 1 25 25 TRP NE1 N 15 127.771 0.2 . 1 . . . . 25 TRP NE1 . 16703 1 260 . 1 1 26 26 LEU H H 1 7.199 0.003 . 1 . . . . 26 LEU H . 16703 1 261 . 1 1 26 26 LEU HA H 1 2.818 0.006 . 1 . . . . 26 LEU HA . 16703 1 262 . 1 1 26 26 LEU HB2 H 1 1.638 0.006 . 1 . . . . 26 LEU HB2 . 16703 1 263 . 1 1 26 26 LEU HB3 H 1 0.856 0.002 . 1 . . . . 26 LEU HB3 . 16703 1 264 . 1 1 26 26 LEU HD11 H 1 0.223 0.002 . 1 . . . . 26 LEU QD1 . 16703 1 265 . 1 1 26 26 LEU HD12 H 1 0.223 0.002 . 1 . . . . 26 LEU QD1 . 16703 1 266 . 1 1 26 26 LEU HD13 H 1 0.223 0.002 . 1 . . . . 26 LEU QD1 . 16703 1 267 . 1 1 26 26 LEU HD21 H 1 0.484 0.001 . 1 . . . . 26 LEU QD2 . 16703 1 268 . 1 1 26 26 LEU HD22 H 1 0.484 0.001 . 1 . . . . 26 LEU QD2 . 16703 1 269 . 1 1 26 26 LEU HD23 H 1 0.484 0.001 . 1 . . . . 26 LEU QD2 . 16703 1 270 . 1 1 26 26 LEU HG H 1 1.200 0.003 . 1 . . . . 26 LEU HG . 16703 1 271 . 1 1 26 26 LEU CA C 13 58.654 0.2 . 1 . . . . 26 LEU CA . 16703 1 272 . 1 1 26 26 LEU CB C 13 41.320 0.2 . 1 . . . . 26 LEU CB . 16703 1 273 . 1 1 26 26 LEU CD1 C 13 26.326 0.2 . 1 . . . . 26 LEU CD1 . 16703 1 274 . 1 1 26 26 LEU CD2 C 13 26.984 0.2 . 1 . . . . 26 LEU CD2 . 16703 1 275 . 1 1 26 26 LEU CG C 13 25.793 0.2 . 1 . . . . 26 LEU CG . 16703 1 276 . 1 1 26 26 LEU N N 15 122.277 0.2 . 1 . . . . 26 LEU N . 16703 1 277 . 1 1 27 27 ASN H H 1 8.339 0.02 . 1 . . . . 27 ASN H . 16703 1 278 . 1 1 27 27 ASN HA H 1 4.301 0.003 . 1 . . . . 27 ASN HA . 16703 1 279 . 1 1 27 27 ASN HB2 H 1 2.785 0.004 . 1 . . . . 27 ASN HB2 . 16703 1 280 . 1 1 27 27 ASN HB3 H 1 2.649 0.003 . 1 . . . . 27 ASN HB3 . 16703 1 281 . 1 1 27 27 ASN HD21 H 1 7.399 0.003 . 1 . . . . 27 ASN HD21 . 16703 1 282 . 1 1 27 27 ASN HD22 H 1 6.485 0.001 . 1 . . . . 27 ASN HD22 . 16703 1 283 . 1 1 27 27 ASN CB C 13 37.587 0.2 . 1 . . . . 27 ASN CB . 16703 1 284 . 1 1 27 27 ASN N N 15 117.517 0.2 . 1 . . . . 27 ASN N . 16703 1 285 . 1 1 27 27 ASN ND2 N 15 110.298 0.001 . 1 . . . . 27 ASN ND2 . 16703 1 286 . 1 1 28 28 GLU H H 1 8.264 0.2 . 1 . . . . 28 GLU H . 16703 1 287 . 1 1 28 28 GLU HA H 1 3.923 0.001 . 1 . . . . 28 GLU HA . 16703 1 288 . 1 1 28 28 GLU HB2 H 1 2.179 0.001 . 1 . . . . 28 GLU HB2 . 16703 1 289 . 1 1 28 28 GLU HB3 H 1 2.043 0.001 . 1 . . . . 28 GLU HB3 . 16703 1 290 . 1 1 28 28 GLU HG2 H 1 2.404 0.001 . 2 . . . . 28 GLU HG2 . 16703 1 291 . 1 1 28 28 GLU HG3 H 1 2.458 0.001 . 2 . . . . 28 GLU HG3 . 16703 1 292 . 1 1 28 28 GLU CA C 13 58.686 0.2 . 1 . . . . 28 GLU CA . 16703 1 293 . 1 1 28 28 GLU CB C 13 27.837 0.2 . 1 . . . . 28 GLU CB . 16703 1 294 . 1 1 28 28 GLU CG C 13 33.383 0.001 . 1 . . . . 28 GLU CG . 16703 1 295 . 1 1 28 28 GLU N N 15 120.827 0.2 . 1 . . . . 28 GLU N . 16703 1 296 . 1 1 29 29 ALA H H 1 7.426 0.004 . 1 . . . . 29 ALA H . 16703 1 297 . 1 1 29 29 ALA HA H 1 4.233 0.004 . 1 . . . . 29 ALA HA . 16703 1 298 . 1 1 29 29 ALA HB1 H 1 1.539 0.001 . 1 . . . . 29 ALA QB . 16703 1 299 . 1 1 29 29 ALA HB2 H 1 1.539 0.001 . 1 . . . . 29 ALA QB . 16703 1 300 . 1 1 29 29 ALA HB3 H 1 1.539 0.001 . 1 . . . . 29 ALA QB . 16703 1 301 . 1 1 29 29 ALA CA C 13 53.135 0.2 . 1 . . . . 29 ALA CA . 16703 1 302 . 1 1 29 29 ALA CB C 13 19.440 0.2 . 1 . . . . 29 ALA CB . 16703 1 303 . 1 1 29 29 ALA N N 15 120.234 0.2 . 1 . . . . 29 ALA N . 16703 1 304 . 1 1 30 30 GLY H H 1 7.678 0.001 . 1 . . . . 30 GLY H . 16703 1 305 . 1 1 30 30 GLY HA2 H 1 3.712 0.02 . 1 . . . . 30 GLY HA2 . 16703 1 306 . 1 1 30 30 GLY HA3 H 1 3.814 0.006 . 1 . . . . 30 GLY HA3 . 16703 1 307 . 1 1 30 30 GLY CA C 13 46.002 0.2 . 1 . . . . 30 GLY CA . 16703 1 308 . 1 1 30 30 GLY N N 15 105.842 0.2 . 1 . . . . 30 GLY N . 16703 1 309 . 1 1 31 31 VAL H H 1 6.503 0.002 . 1 . . . . 31 VAL H . 16703 1 310 . 1 1 31 31 VAL HA H 1 3.965 0.001 . 1 . . . . 31 VAL HA . 16703 1 311 . 1 1 31 31 VAL HB H 1 1.611 0.006 . 1 . . . . 31 VAL HB . 16703 1 312 . 1 1 31 31 VAL HG11 H 1 0.965 0.004 . 1 . . . . 31 VAL QG1 . 16703 1 313 . 1 1 31 31 VAL HG12 H 1 0.965 0.004 . 1 . . . . 31 VAL QG1 . 16703 1 314 . 1 1 31 31 VAL HG13 H 1 0.965 0.004 . 1 . . . . 31 VAL QG1 . 16703 1 315 . 1 1 31 31 VAL HG21 H 1 0.781 0.005 . 1 . . . . 31 VAL QG2 . 16703 1 316 . 1 1 31 31 VAL HG22 H 1 0.781 0.005 . 1 . . . . 31 VAL QG2 . 16703 1 317 . 1 1 31 31 VAL HG23 H 1 0.781 0.005 . 1 . . . . 31 VAL QG2 . 16703 1 318 . 1 1 31 31 VAL CA C 13 60.902 0.2 . 1 . . . . 31 VAL CA . 16703 1 319 . 1 1 31 31 VAL CB C 13 34.101 0.2 . 1 . . . . 31 VAL CB . 16703 1 320 . 1 1 31 31 VAL CG1 C 13 21.102 0.2 . 1 . . . . 31 VAL CG1 . 16703 1 321 . 1 1 31 31 VAL CG2 C 13 20.245 0.2 . 1 . . . . 31 VAL CG2 . 16703 1 322 . 1 1 31 31 VAL N N 15 116.242 0.2 . 1 . . . . 31 VAL N . 16703 1 323 . 1 1 32 32 GLY H H 1 8.454 0.001 . 1 . . . . 32 GLY H . 16703 1 324 . 1 1 32 32 GLY HA2 H 1 3.788 0.005 . 1 . . . . 32 GLY HA2 . 16703 1 325 . 1 1 32 32 GLY HA3 H 1 3.552 0.005 . 1 . . . . 32 GLY HA3 . 16703 1 326 . 1 1 32 32 GLY CA C 13 44.440 0.005 . 1 . . . . 32 GLY CA . 16703 1 327 . 1 1 32 32 GLY N N 15 110.218 0.2 . 1 . . . . 32 GLY N . 16703 1 328 . 1 1 33 33 LEU H H 1 8.536 0.002 . 1 . . . . 33 LEU H . 16703 1 329 . 1 1 33 33 LEU HA H 1 3.831 0.001 . 1 . . . . 33 LEU HA . 16703 1 330 . 1 1 33 33 LEU HB2 H 1 1.098 0.001 . 1 . . . . 33 LEU HB2 . 16703 1 331 . 1 1 33 33 LEU HB3 H 1 1.675 0.001 . 1 . . . . 33 LEU HB3 . 16703 1 332 . 1 1 33 33 LEU HD11 H 1 0.664 0.006 . 1 . . . . 33 LEU QD1 . 16703 1 333 . 1 1 33 33 LEU HD12 H 1 0.664 0.006 . 1 . . . . 33 LEU QD1 . 16703 1 334 . 1 1 33 33 LEU HD13 H 1 0.664 0.006 . 1 . . . . 33 LEU QD1 . 16703 1 335 . 1 1 33 33 LEU HD21 H 1 0.476 0.002 . 1 . . . . 33 LEU QD2 . 16703 1 336 . 1 1 33 33 LEU HD22 H 1 0.476 0.002 . 1 . . . . 33 LEU QD2 . 16703 1 337 . 1 1 33 33 LEU HD23 H 1 0.476 0.002 . 1 . . . . 33 LEU QD2 . 16703 1 338 . 1 1 33 33 LEU HG H 1 0.913 0.002 . 1 . . . . 33 LEU HG . 16703 1 339 . 1 1 33 33 LEU CA C 13 55.820 0.2 . 1 . . . . 33 LEU CA . 16703 1 340 . 1 1 33 33 LEU CB C 13 42.970 0.001 . 1 . . . . 33 LEU CB . 16703 1 341 . 1 1 33 33 LEU CD1 C 13 26.031 0.2 . 1 . . . . 33 LEU CD1 . 16703 1 342 . 1 1 33 33 LEU CD2 C 13 24.584 0.2 . 1 . . . . 33 LEU CD2 . 16703 1 343 . 1 1 33 33 LEU CG C 13 27.101 0.2 . 1 . . . . 33 LEU CG . 16703 1 344 . 1 1 33 33 LEU N N 15 124.162 0.2 . 1 . . . . 33 LEU N . 16703 1 345 . 1 1 34 34 ASP H H 1 8.985 0.001 . 1 . . . . 34 ASP H . 16703 1 346 . 1 1 34 34 ASP HA H 1 4.691 0.001 . 1 . . . . 34 ASP HA . 16703 1 347 . 1 1 34 34 ASP HB2 H 1 1.938 0.001 . 2 . . . . 34 ASP HB2 . 16703 1 348 . 1 1 34 34 ASP HB3 H 1 2.319 0.003 . 2 . . . . 34 ASP HB3 . 16703 1 349 . 1 1 34 34 ASP CA C 13 54.865 0.2 . 1 . . . . 34 ASP CA . 16703 1 350 . 1 1 34 34 ASP CB C 13 41.279 0.001 . 1 . . . . 34 ASP CB . 16703 1 351 . 1 1 34 34 ASP N N 15 126.095 0.2 . 1 . . . . 34 ASP N . 16703 1 352 . 1 1 35 35 HIS H H 1 7.233 0.001 . 1 . . . . 35 HIS H . 16703 1 353 . 1 1 35 35 HIS HA H 1 4.711 0.001 . 1 . . . . 35 HIS HA . 16703 1 354 . 1 1 35 35 HIS HB2 H 1 3.148 0.2 . 1 . . . . 35 HIS HB2 . 16703 1 355 . 1 1 35 35 HIS HB3 H 1 3.376 0.002 . 1 . . . . 35 HIS HB3 . 16703 1 356 . 1 1 35 35 HIS HD2 H 1 7.064 0.004 . 1 . . . . 35 HIS HD2 . 16703 1 357 . 1 1 35 35 HIS HE1 H 1 8.347 0.007 . 1 . . . . 35 HIS HE1 . 16703 1 358 . 1 1 35 35 HIS CA C 13 53.939 0.2 . 1 . . . . 35 HIS CA . 16703 1 359 . 1 1 35 35 HIS CB C 13 30.175 0.2 . 1 . . . . 35 HIS CB . 16703 1 360 . 1 1 35 35 HIS CD2 C 13 121.405 0.2 . 1 . . . . 35 HIS CD2 . 16703 1 361 . 1 1 35 35 HIS CE1 C 13 136.115 0.2 . 1 . . . . 35 HIS CE1 . 16703 1 362 . 1 1 35 35 HIS N N 15 106.061 0.2 . 1 . . . . 35 HIS N . 16703 1 363 . 1 1 36 36 GLU H H 1 9.205 0.001 . 1 . . . . 36 GLU H . 16703 1 364 . 1 1 36 36 GLU HA H 1 4.111 0.002 . 1 . . . . 36 GLU HA . 16703 1 365 . 1 1 36 36 GLU HB2 H 1 1.982 0.004 . 2 . . . . 36 GLU HB2 . 16703 1 366 . 1 1 36 36 GLU HB3 H 1 2.193 0.001 . 2 . . . . 36 GLU HB3 . 16703 1 367 . 1 1 36 36 GLU HG2 H 1 2.362 0.002 . 2 . . . . 36 GLU HG2 . 16703 1 368 . 1 1 36 36 GLU HG3 H 1 2.501 0.003 . 2 . . . . 36 GLU HG3 . 16703 1 369 . 1 1 36 36 GLU CA C 13 57.432 0.2 . 1 . . . . 36 GLU CA . 16703 1 370 . 1 1 36 36 GLU CB C 13 28.782 0.2 . 1 . . . . 36 GLU CB . 16703 1 371 . 1 1 36 36 GLU CG C 13 33.183 0.2 . 1 . . . . 36 GLU CG . 16703 1 372 . 1 1 37 37 GLY H H 1 8.053 0.001 . 1 . . . . 37 GLY H . 16703 1 373 . 1 1 37 37 GLY HA2 H 1 3.379 0.001 . 1 . . . . 37 GLY HA2 . 16703 1 374 . 1 1 37 37 GLY HA3 H 1 4.398 0.001 . 1 . . . . 37 GLY HA3 . 16703 1 375 . 1 1 37 37 GLY CA C 13 44.447 0.001 . 1 . . . . 37 GLY CA . 16703 1 376 . 1 1 37 37 GLY N N 15 115.066 0.2 . 1 . . . . 37 GLY N . 16703 1 377 . 1 1 38 38 GLU H H 1 7.989 0.002 . 1 . . . . 38 GLU H . 16703 1 378 . 1 1 38 38 GLU HA H 1 3.765 0.003 . 1 . . . . 38 GLU HA . 16703 1 379 . 1 1 38 38 GLU HB2 H 1 1.784 0.004 . 1 . . . . 38 GLU HB2 . 16703 1 380 . 1 1 38 38 GLU HB3 H 1 1.934 0.001 . 1 . . . . 38 GLU HB3 . 16703 1 381 . 1 1 38 38 GLU HG2 H 1 2.272 0.004 . 1 . . . . 38 GLU HG2 . 16703 1 382 . 1 1 38 38 GLU HG3 H 1 2.272 0.004 . 1 . . . . 38 GLU HG3 . 16703 1 383 . 1 1 38 38 GLU CA C 13 55.837 0.2 . 1 . . . . 38 GLU CA . 16703 1 384 . 1 1 38 38 GLU CB C 13 29.123 0.001 . 1 . . . . 38 GLU CB . 16703 1 385 . 1 1 38 38 GLU CG C 13 33.690 0.2 . 1 . . . . 38 GLU CG . 16703 1 386 . 1 1 38 38 GLU N N 15 111.776 0.2 . 1 . . . . 38 GLU N . 16703 1 387 . 1 1 39 39 CYS H H 1 8.162 0.003 . 1 . . . . 39 CYS H . 16703 1 388 . 1 1 39 39 CYS HA H 1 4.307 0.002 . 1 . . . . 39 CYS HA . 16703 1 389 . 1 1 39 39 CYS HB2 H 1 2.367 0.003 . 2 . . . . 39 CYS HB2 . 16703 1 390 . 1 1 39 39 CYS HB3 H 1 2.859 0.006 . 2 . . . . 39 CYS HB3 . 16703 1 391 . 1 1 39 39 CYS CA C 13 53.393 0.2 . 1 . . . . 39 CYS CA . 16703 1 392 . 1 1 39 39 CYS CB C 13 37.330 0.001 . 1 . . . . 39 CYS CB . 16703 1 393 . 1 1 39 39 CYS N N 15 118.303 0.2 . 1 . . . . 39 CYS N . 16703 1 stop_ save_