################################### # 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 19200 _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 0.20 _Assigned_chem_shift_list.Chem_shift_15N_err 0.12 _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' . . . 19200 1 2 '2D 1H-13C HSQC' . . . 19200 1 3 '5D APSY-CBCACONH' . . . 19200 1 4 '5D APSY-HACACONH' . . . 19200 1 5 '4D APSY-HACANH' . . . 19200 1 6 '3D [1H,1H]-NOESY-15N-HSQC' . . . 19200 1 7 '3D [1H,1H]-NOESY-13C(ali)-HSQC' . . . 19200 1 8 '3D [1H,1H]-NOESY-13C(aro)-HSQC' . . . 19200 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 5 5 VAL H H 1 8.246 0.02 . 1 . . . A 5 VAL H . 19200 1 2 . 1 1 5 5 VAL HA H 1 4.199 0.02 . 1 . . . A 5 VAL HA . 19200 1 3 . 1 1 5 5 VAL HB H 1 1.993 0.02 . 1 . . . A 5 VAL HB . 19200 1 4 . 1 1 5 5 VAL HG11 H 1 0.845 0.02 . 2 . . . A 5 VAL HG11 . 19200 1 5 . 1 1 5 5 VAL HG12 H 1 0.845 0.02 . 2 . . . A 5 VAL HG12 . 19200 1 6 . 1 1 5 5 VAL HG13 H 1 0.845 0.02 . 2 . . . A 5 VAL HG13 . 19200 1 7 . 1 1 5 5 VAL HG21 H 1 0.889 0.02 . 2 . . . A 5 VAL HG21 . 19200 1 8 . 1 1 5 5 VAL HG22 H 1 0.889 0.02 . 2 . . . A 5 VAL HG22 . 19200 1 9 . 1 1 5 5 VAL HG23 H 1 0.889 0.02 . 2 . . . A 5 VAL HG23 . 19200 1 10 . 1 1 5 5 VAL CA C 13 62.696 0.20 . 1 . . . A 5 VAL CA . 19200 1 11 . 1 1 5 5 VAL CB C 13 33.858 0.20 . 1 . . . A 5 VAL CB . 19200 1 12 . 1 1 5 5 VAL CG1 C 13 21.806 0.20 . 2 . . . A 5 VAL CG1 . 19200 1 13 . 1 1 5 5 VAL CG2 C 13 21.388 0.20 . 2 . . . A 5 VAL CG2 . 19200 1 14 . 1 1 5 5 VAL N N 15 122.590 0.12 . 1 . . . A 5 VAL N . 19200 1 15 . 1 1 6 6 THR H H 1 8.243 0.02 . 1 . . . A 6 THR H . 19200 1 16 . 1 1 6 6 THR HA H 1 4.376 0.02 . 1 . . . A 6 THR HA . 19200 1 17 . 1 1 6 6 THR HB H 1 4.076 0.02 . 1 . . . A 6 THR HB . 19200 1 18 . 1 1 6 6 THR HG21 H 1 1.162 0.02 . 1 . . . A 6 THR HG21 . 19200 1 19 . 1 1 6 6 THR HG22 H 1 1.162 0.02 . 1 . . . A 6 THR HG22 . 19200 1 20 . 1 1 6 6 THR HG23 H 1 1.162 0.02 . 1 . . . A 6 THR HG23 . 19200 1 21 . 1 1 6 6 THR CA C 13 61.781 0.20 . 1 . . . A 6 THR CA . 19200 1 22 . 1 1 6 6 THR CB C 13 70.908 0.20 . 1 . . . A 6 THR CB . 19200 1 23 . 1 1 6 6 THR CG2 C 13 22.090 0.20 . 1 . . . A 6 THR CG2 . 19200 1 24 . 1 1 6 6 THR N N 15 119.169 0.12 . 1 . . . A 6 THR N . 19200 1 25 . 1 1 7 7 CYS H H 1 8.656 0.02 . 1 . . . A 7 CYS H . 19200 1 26 . 1 1 7 7 CYS HA H 1 4.824 0.02 . 1 . . . A 7 CYS HA . 19200 1 27 . 1 1 7 7 CYS HB2 H 1 2.557 0.02 . 2 . . . A 7 CYS HB2 . 19200 1 28 . 1 1 7 7 CYS HB3 H 1 3.061 0.02 . 2 . . . A 7 CYS HB3 . 19200 1 29 . 1 1 7 7 CYS CA C 13 53.218 0.20 . 1 . . . A 7 CYS CA . 19200 1 30 . 1 1 7 7 CYS CB C 13 41.125 0.20 . 1 . . . A 7 CYS CB . 19200 1 31 . 1 1 7 7 CYS N N 15 121.405 0.12 . 1 . . . A 7 CYS N . 19200 1 32 . 1 1 8 8 SER H H 1 8.574 0.02 . 1 . . . A 8 SER H . 19200 1 33 . 1 1 8 8 SER HA H 1 4.349 0.02 . 1 . . . A 8 SER HA . 19200 1 34 . 1 1 8 8 SER HB2 H 1 3.836 0.02 . 2 . . . A 8 SER HB2 . 19200 1 35 . 1 1 8 8 SER HB3 H 1 3.609 0.02 . 2 . . . A 8 SER HB3 . 19200 1 36 . 1 1 8 8 SER CA C 13 58.967 0.20 . 1 . . . A 8 SER CA . 19200 1 37 . 1 1 8 8 SER CB C 13 64.571 0.20 . 1 . . . A 8 SER CB . 19200 1 38 . 1 1 8 8 SER N N 15 118.316 0.12 . 1 . . . A 8 SER N . 19200 1 39 . 1 1 9 9 LEU H H 1 8.260 0.02 . 1 . . . A 9 LEU H . 19200 1 40 . 1 1 9 9 LEU HA H 1 4.230 0.02 . 1 . . . A 9 LEU HA . 19200 1 41 . 1 1 9 9 LEU HB2 H 1 1.661 0.02 . 2 . . . A 9 LEU HB2 . 19200 1 42 . 1 1 9 9 LEU HB3 H 1 1.635 0.02 . 2 . . . A 9 LEU HB3 . 19200 1 43 . 1 1 9 9 LEU HG H 1 1.669 0.02 . 1 . . . A 9 LEU HG . 19200 1 44 . 1 1 9 9 LEU HD11 H 1 0.948 0.02 . 2 . . . A 9 LEU HD11 . 19200 1 45 . 1 1 9 9 LEU HD12 H 1 0.948 0.02 . 2 . . . A 9 LEU HD12 . 19200 1 46 . 1 1 9 9 LEU HD13 H 1 0.948 0.02 . 2 . . . A 9 LEU HD13 . 19200 1 47 . 1 1 9 9 LEU HD21 H 1 0.979 0.02 . 2 . . . A 9 LEU HD21 . 19200 1 48 . 1 1 9 9 LEU HD22 H 1 0.979 0.02 . 2 . . . A 9 LEU HD22 . 19200 1 49 . 1 1 9 9 LEU HD23 H 1 0.979 0.02 . 2 . . . A 9 LEU HD23 . 19200 1 50 . 1 1 9 9 LEU CA C 13 57.704 0.20 . 1 . . . A 9 LEU CA . 19200 1 51 . 1 1 9 9 LEU CB C 13 42.300 0.20 . 1 . . . A 9 LEU CB . 19200 1 52 . 1 1 9 9 LEU CG C 13 27.473 0.20 . 1 . . . A 9 LEU CG . 19200 1 53 . 1 1 9 9 LEU CD1 C 13 24.990 0.20 . 2 . . . A 9 LEU CD1 . 19200 1 54 . 1 1 9 9 LEU CD2 C 13 24.991 0.20 . 2 . . . A 9 LEU CD2 . 19200 1 55 . 1 1 9 9 LEU N N 15 122.178 0.12 . 1 . . . A 9 LEU N . 19200 1 56 . 1 1 10 10 GLY H H 1 9.031 0.02 . 1 . . . A 10 GLY H . 19200 1 57 . 1 1 10 10 GLY HA2 H 1 4.270 0.02 . 2 . . . A 10 GLY HA2 . 19200 1 58 . 1 1 10 10 GLY HA3 H 1 3.660 0.02 . 2 . . . A 10 GLY HA3 . 19200 1 59 . 1 1 10 10 GLY CA C 13 45.669 0.20 . 1 . . . A 10 GLY CA . 19200 1 60 . 1 1 10 10 GLY N N 15 112.756 0.12 . 1 . . . A 10 GLY N . 19200 1 61 . 1 1 11 11 TYR H H 1 8.335 0.02 . 1 . . . A 11 TYR H . 19200 1 62 . 1 1 11 11 TYR HA H 1 5.066 0.02 . 1 . . . A 11 TYR HA . 19200 1 63 . 1 1 11 11 TYR HB2 H 1 2.412 0.02 . 2 . . . A 11 TYR HB2 . 19200 1 64 . 1 1 11 11 TYR HB3 H 1 3.209 0.02 . 2 . . . A 11 TYR HB3 . 19200 1 65 . 1 1 11 11 TYR HD1 H 1 6.520 0.02 . 3 . . . A 11 TYR HD1 . 19200 1 66 . 1 1 11 11 TYR HD2 H 1 6.520 0.02 . 3 . . . A 11 TYR HD2 . 19200 1 67 . 1 1 11 11 TYR HE1 H 1 6.608 0.02 . 3 . . . A 11 TYR HE1 . 19200 1 68 . 1 1 11 11 TYR HE2 H 1 6.608 0.02 . 3 . . . A 11 TYR HE2 . 19200 1 69 . 1 1 11 11 TYR CA C 13 57.285 0.20 . 1 . . . A 11 TYR CA . 19200 1 70 . 1 1 11 11 TYR CB C 13 41.830 0.20 . 1 . . . A 11 TYR CB . 19200 1 71 . 1 1 11 11 TYR CD2 C 13 133.067 0.20 . 3 . . . A 11 TYR CD2 . 19200 1 72 . 1 1 11 11 TYR CE2 C 13 118.350 0.20 . 3 . . . A 11 TYR CE2 . 19200 1 73 . 1 1 11 11 TYR N N 15 121.686 0.12 . 1 . . . A 11 TYR N . 19200 1 74 . 1 1 12 12 PHE H H 1 9.791 0.02 . 1 . . . A 12 PHE H . 19200 1 75 . 1 1 12 12 PHE HA H 1 5.183 0.02 . 1 . . . A 12 PHE HA . 19200 1 76 . 1 1 12 12 PHE HB2 H 1 2.895 0.02 . 2 . . . A 12 PHE HB2 . 19200 1 77 . 1 1 12 12 PHE HB3 H 1 3.050 0.02 . 2 . . . A 12 PHE HB3 . 19200 1 78 . 1 1 12 12 PHE HD1 H 1 7.116 0.02 . 3 . . . A 12 PHE HD1 . 19200 1 79 . 1 1 12 12 PHE HD2 H 1 7.116 0.02 . 3 . . . A 12 PHE HD2 . 19200 1 80 . 1 1 12 12 PHE HE1 H 1 7.070 0.02 . 3 . . . A 12 PHE HE1 . 19200 1 81 . 1 1 12 12 PHE HE2 H 1 7.070 0.02 . 3 . . . A 12 PHE HE2 . 19200 1 82 . 1 1 12 12 PHE HZ H 1 7.309 0.02 . 1 . . . A 12 PHE HZ . 19200 1 83 . 1 1 12 12 PHE CA C 13 54.843 0.20 . 1 . . . A 12 PHE CA . 19200 1 84 . 1 1 12 12 PHE CB C 13 41.740 0.20 . 1 . . . A 12 PHE CB . 19200 1 85 . 1 1 12 12 PHE CD1 C 13 133.033 0.20 . 3 . . . A 12 PHE CD1 . 19200 1 86 . 1 1 12 12 PHE CE1 C 13 129.953 0.20 . 3 . . . A 12 PHE CE1 . 19200 1 87 . 1 1 12 12 PHE CZ C 13 131.983 0.20 . 1 . . . A 12 PHE CZ . 19200 1 88 . 1 1 12 12 PHE N N 15 122.244 0.12 . 1 . . . A 12 PHE N . 19200 1 89 . 1 1 13 13 PRO HA H 1 5.002 0.02 . 1 . . . A 13 PRO HA . 19200 1 90 . 1 1 13 13 PRO HB2 H 1 2.027 0.02 . 2 . . . A 13 PRO HB2 . 19200 1 91 . 1 1 13 13 PRO HB3 H 1 1.830 0.02 . 2 . . . A 13 PRO HB3 . 19200 1 92 . 1 1 13 13 PRO HG2 H 1 2.027 0.02 . 2 . . . A 13 PRO HG2 . 19200 1 93 . 1 1 13 13 PRO HG3 H 1 2.116 0.02 . 2 . . . A 13 PRO HG3 . 19200 1 94 . 1 1 13 13 PRO HD2 H 1 3.586 0.02 . 2 . . . A 13 PRO HD2 . 19200 1 95 . 1 1 13 13 PRO HD3 H 1 3.738 0.02 . 2 . . . A 13 PRO HD3 . 19200 1 96 . 1 1 13 13 PRO CA C 13 62.093 0.20 . 1 . . . A 13 PRO CA . 19200 1 97 . 1 1 13 13 PRO CB C 13 32.637 0.20 . 1 . . . A 13 PRO CB . 19200 1 98 . 1 1 13 13 PRO CG C 13 27.500 0.20 . 1 . . . A 13 PRO CG . 19200 1 99 . 1 1 13 13 PRO CD C 13 51.254 0.20 . 1 . . . A 13 PRO CD . 19200 1 100 . 1 1 14 14 CYS H H 1 8.630 0.02 . 1 . . . A 14 CYS H . 19200 1 101 . 1 1 14 14 CYS HA H 1 4.897 0.02 . 1 . . . A 14 CYS HA . 19200 1 102 . 1 1 14 14 CYS HB2 H 1 3.538 0.02 . 2 . . . A 14 CYS HB2 . 19200 1 103 . 1 1 14 14 CYS HB3 H 1 2.955 0.02 . 2 . . . A 14 CYS HB3 . 19200 1 104 . 1 1 14 14 CYS CA C 13 55.375 0.20 . 1 . . . A 14 CYS CA . 19200 1 105 . 1 1 14 14 CYS CB C 13 42.581 0.20 . 1 . . . A 14 CYS CB . 19200 1 106 . 1 1 14 14 CYS N N 15 118.471 0.12 . 1 . . . A 14 CYS N . 19200 1 107 . 1 1 15 15 GLY H H 1 8.372 0.02 . 1 . . . A 15 GLY H . 19200 1 108 . 1 1 15 15 GLY HA2 H 1 4.427 0.02 . 2 . . . A 15 GLY HA2 . 19200 1 109 . 1 1 15 15 GLY HA3 H 1 3.736 0.02 . 2 . . . A 15 GLY HA3 . 19200 1 110 . 1 1 15 15 GLY CA C 13 45.735 0.20 . 1 . . . A 15 GLY CA . 19200 1 111 . 1 1 15 15 GLY N N 15 109.188 0.12 . 1 . . . A 15 GLY N . 19200 1 112 . 1 1 16 16 ASN H H 1 9.709 0.02 . 1 . . . A 16 ASN H . 19200 1 113 . 1 1 16 16 ASN HA H 1 4.533 0.02 . 1 . . . A 16 ASN HA . 19200 1 114 . 1 1 16 16 ASN HB2 H 1 2.845 0.02 . 2 . . . A 16 ASN HB2 . 19200 1 115 . 1 1 16 16 ASN HB3 H 1 2.902 0.02 . 2 . . . A 16 ASN HB3 . 19200 1 116 . 1 1 16 16 ASN HD21 H 1 7.036 0.02 . 2 . . . A 16 ASN HD21 . 19200 1 117 . 1 1 16 16 ASN HD22 H 1 7.705 0.02 . 2 . . . A 16 ASN HD22 . 19200 1 118 . 1 1 16 16 ASN CA C 13 55.543 0.20 . 1 . . . A 16 ASN CA . 19200 1 119 . 1 1 16 16 ASN CB C 13 38.841 0.20 . 1 . . . A 16 ASN CB . 19200 1 120 . 1 1 16 16 ASN N N 15 122.147 0.12 . 1 . . . A 16 ASN N . 19200 1 121 . 1 1 16 16 ASN ND2 N 15 113.877 0.12 . 1 . . . A 16 ASN ND2 . 19200 1 122 . 1 1 17 17 ILE H H 1 8.196 0.02 . 1 . . . A 17 ILE H . 19200 1 123 . 1 1 17 17 ILE HA H 1 4.215 0.02 . 1 . . . A 17 ILE HA . 19200 1 124 . 1 1 17 17 ILE HB H 1 2.024 0.02 . 1 . . . A 17 ILE HB . 19200 1 125 . 1 1 17 17 ILE HG12 H 1 1.450 0.02 . 2 . . . A 17 ILE HG12 . 19200 1 126 . 1 1 17 17 ILE HG13 H 1 1.197 0.02 . 2 . . . A 17 ILE HG13 . 19200 1 127 . 1 1 17 17 ILE HG21 H 1 0.909 0.02 . 1 . . . A 17 ILE HG21 . 19200 1 128 . 1 1 17 17 ILE HG22 H 1 0.909 0.02 . 1 . . . A 17 ILE HG22 . 19200 1 129 . 1 1 17 17 ILE HG23 H 1 0.909 0.02 . 1 . . . A 17 ILE HG23 . 19200 1 130 . 1 1 17 17 ILE HD11 H 1 0.882 0.02 . 1 . . . A 17 ILE HD11 . 19200 1 131 . 1 1 17 17 ILE HD12 H 1 0.882 0.02 . 1 . . . A 17 ILE HD12 . 19200 1 132 . 1 1 17 17 ILE HD13 H 1 0.882 0.02 . 1 . . . A 17 ILE HD13 . 19200 1 133 . 1 1 17 17 ILE CA C 13 61.465 0.20 . 1 . . . A 17 ILE CA . 19200 1 134 . 1 1 17 17 ILE CB C 13 37.913 0.20 . 1 . . . A 17 ILE CB . 19200 1 135 . 1 1 17 17 ILE CG1 C 13 27.747 0.20 . 1 . . . A 17 ILE CG1 . 19200 1 136 . 1 1 17 17 ILE CG2 C 13 18.298 0.20 . 1 . . . A 17 ILE CG2 . 19200 1 137 . 1 1 17 17 ILE CD1 C 13 13.556 0.20 . 1 . . . A 17 ILE CD1 . 19200 1 138 . 1 1 17 17 ILE N N 15 120.251 0.12 . 1 . . . A 17 ILE N . 19200 1 139 . 1 1 18 18 THR H H 1 7.969 0.02 . 1 . . . A 18 THR H . 19200 1 140 . 1 1 18 18 THR HA H 1 3.985 0.02 . 1 . . . A 18 THR HA . 19200 1 141 . 1 1 18 18 THR HB H 1 4.019 0.02 . 1 . . . A 18 THR HB . 19200 1 142 . 1 1 18 18 THR HG21 H 1 1.150 0.02 . 1 . . . A 18 THR HG21 . 19200 1 143 . 1 1 18 18 THR HG22 H 1 1.150 0.02 . 1 . . . A 18 THR HG22 . 19200 1 144 . 1 1 18 18 THR HG23 H 1 1.150 0.02 . 1 . . . A 18 THR HG23 . 19200 1 145 . 1 1 18 18 THR CA C 13 64.041 0.20 . 1 . . . A 18 THR CA . 19200 1 146 . 1 1 18 18 THR CB C 13 69.529 0.20 . 1 . . . A 18 THR CB . 19200 1 147 . 1 1 18 18 THR CG2 C 13 23.016 0.20 . 1 . . . A 18 THR CG2 . 19200 1 148 . 1 1 18 18 THR N N 15 118.356 0.12 . 1 . . . A 18 THR N . 19200 1 149 . 1 1 19 19 LYS H H 1 8.271 0.02 . 1 . . . A 19 LYS H . 19200 1 150 . 1 1 19 19 LYS HA H 1 4.468 0.02 . 1 . . . A 19 LYS HA . 19200 1 151 . 1 1 19 19 LYS HB2 H 1 1.796 0.02 . 2 . . . A 19 LYS HB2 . 19200 1 152 . 1 1 19 19 LYS HB3 H 1 1.750 0.02 . 2 . . . A 19 LYS HB3 . 19200 1 153 . 1 1 19 19 LYS HG2 H 1 1.374 0.02 . 2 . . . A 19 LYS HG2 . 19200 1 154 . 1 1 19 19 LYS HG3 H 1 1.374 0.02 . 2 . . . A 19 LYS HG3 . 19200 1 155 . 1 1 19 19 LYS HD2 H 1 1.736 0.02 . 2 . . . A 19 LYS HD2 . 19200 1 156 . 1 1 19 19 LYS HD3 H 1 1.736 0.02 . 2 . . . A 19 LYS HD3 . 19200 1 157 . 1 1 19 19 LYS HE2 H 1 3.032 0.02 . 2 . . . A 19 LYS HE2 . 19200 1 158 . 1 1 19 19 LYS HE3 H 1 2.962 0.02 . 2 . . . A 19 LYS HE3 . 19200 1 159 . 1 1 19 19 LYS CA C 13 56.099 0.20 . 1 . . . A 19 LYS CA . 19200 1 160 . 1 1 19 19 LYS CB C 13 35.855 0.20 . 1 . . . A 19 LYS CB . 19200 1 161 . 1 1 19 19 LYS CG C 13 25.294 0.20 . 1 . . . A 19 LYS CG . 19200 1 162 . 1 1 19 19 LYS CD C 13 30.250 0.20 . 1 . . . A 19 LYS CD . 19200 1 163 . 1 1 19 19 LYS CE C 13 42.815 0.20 . 1 . . . A 19 LYS CE . 19200 1 164 . 1 1 19 19 LYS N N 15 124.860 0.12 . 1 . . . A 19 LYS N . 19200 1 165 . 1 1 20 20 CYS H H 1 8.543 0.02 . 1 . . . A 20 CYS H . 19200 1 166 . 1 1 20 20 CYS HA H 1 5.203 0.02 . 1 . . . A 20 CYS HA . 19200 1 167 . 1 1 20 20 CYS HB2 H 1 2.880 0.02 . 2 . . . A 20 CYS HB2 . 19200 1 168 . 1 1 20 20 CYS HB3 H 1 2.651 0.02 . 2 . . . A 20 CYS HB3 . 19200 1 169 . 1 1 20 20 CYS CA C 13 55.367 0.20 . 1 . . . A 20 CYS CA . 19200 1 170 . 1 1 20 20 CYS CB C 13 44.418 0.20 . 1 . . . A 20 CYS CB . 19200 1 171 . 1 1 20 20 CYS N N 15 122.195 0.12 . 1 . . . A 20 CYS N . 19200 1 172 . 1 1 21 21 ILE H H 1 9.070 0.02 . 1 . . . A 21 ILE H . 19200 1 173 . 1 1 21 21 ILE HA H 1 4.690 0.02 . 1 . . . A 21 ILE HA . 19200 1 174 . 1 1 21 21 ILE HB H 1 1.723 0.02 . 1 . . . A 21 ILE HB . 19200 1 175 . 1 1 21 21 ILE HG12 H 1 0.948 0.02 . 2 . . . A 21 ILE HG12 . 19200 1 176 . 1 1 21 21 ILE HG13 H 1 1.185 0.02 . 2 . . . A 21 ILE HG13 . 19200 1 177 . 1 1 21 21 ILE HG21 H 1 0.938 0.02 . 1 . . . A 21 ILE HG21 . 19200 1 178 . 1 1 21 21 ILE HG22 H 1 0.938 0.02 . 1 . . . A 21 ILE HG22 . 19200 1 179 . 1 1 21 21 ILE HG23 H 1 0.938 0.02 . 1 . . . A 21 ILE HG23 . 19200 1 180 . 1 1 21 21 ILE HD11 H 1 0.947 0.02 . 1 . . . A 21 ILE HD11 . 19200 1 181 . 1 1 21 21 ILE HD12 H 1 0.947 0.02 . 1 . . . A 21 ILE HD12 . 19200 1 182 . 1 1 21 21 ILE HD13 H 1 0.947 0.02 . 1 . . . A 21 ILE HD13 . 19200 1 183 . 1 1 21 21 ILE CA C 13 58.296 0.20 . 1 . . . A 21 ILE CA . 19200 1 184 . 1 1 21 21 ILE CB C 13 39.854 0.20 . 1 . . . A 21 ILE CB . 19200 1 185 . 1 1 21 21 ILE CG1 C 13 25.175 0.20 . 1 . . . A 21 ILE CG1 . 19200 1 186 . 1 1 21 21 ILE CG2 C 13 18.804 0.20 . 1 . . . A 21 ILE CG2 . 19200 1 187 . 1 1 21 21 ILE CD1 C 13 16.564 0.20 . 1 . . . A 21 ILE CD1 . 19200 1 188 . 1 1 21 21 ILE N N 15 118.915 0.12 . 1 . . . A 21 ILE N . 19200 1 189 . 1 1 22 22 PRO HA H 1 3.311 0.02 . 1 . . . A 22 PRO HA . 19200 1 190 . 1 1 22 22 PRO HB2 H 1 1.394 0.02 . 2 . . . A 22 PRO HB2 . 19200 1 191 . 1 1 22 22 PRO HB3 H 1 0.321 0.02 . 2 . . . A 22 PRO HB3 . 19200 1 192 . 1 1 22 22 PRO HG2 H 1 0.562 0.02 . 2 . . . A 22 PRO HG2 . 19200 1 193 . 1 1 22 22 PRO HG3 H 1 0.990 0.02 . 2 . . . A 22 PRO HG3 . 19200 1 194 . 1 1 22 22 PRO HD2 H 1 1.483 0.02 . 2 . . . A 22 PRO HD2 . 19200 1 195 . 1 1 22 22 PRO HD3 H 1 2.819 0.02 . 2 . . . A 22 PRO HD3 . 19200 1 196 . 1 1 22 22 PRO CA C 13 63.091 0.20 . 1 . . . A 22 PRO CA . 19200 1 197 . 1 1 22 22 PRO CB C 13 32.303 0.20 . 1 . . . A 22 PRO CB . 19200 1 198 . 1 1 22 22 PRO CG C 13 27.770 0.20 . 1 . . . A 22 PRO CG . 19200 1 199 . 1 1 22 22 PRO CD C 13 49.489 0.20 . 1 . . . A 22 PRO CD . 19200 1 200 . 1 1 23 23 GLN H H 1 8.285 0.02 . 1 . . . A 23 GLN H . 19200 1 201 . 1 1 23 23 GLN HA H 1 3.914 0.02 . 1 . . . A 23 GLN HA . 19200 1 202 . 1 1 23 23 GLN HB2 H 1 1.950 0.02 . 2 . . . A 23 GLN HB2 . 19200 1 203 . 1 1 23 23 GLN HB3 H 1 1.905 0.02 . 2 . . . A 23 GLN HB3 . 19200 1 204 . 1 1 23 23 GLN HG2 H 1 2.248 0.02 . 2 . . . A 23 GLN HG2 . 19200 1 205 . 1 1 23 23 GLN HG3 H 1 2.248 0.02 . 2 . . . A 23 GLN HG3 . 19200 1 206 . 1 1 23 23 GLN HE21 H 1 7.325 0.02 . 2 . . . A 23 GLN HE21 . 19200 1 207 . 1 1 23 23 GLN HE22 H 1 6.816 0.02 . 2 . . . A 23 GLN HE22 . 19200 1 208 . 1 1 23 23 GLN CA C 13 59.429 0.20 . 1 . . . A 23 GLN CA . 19200 1 209 . 1 1 23 23 GLN CB C 13 28.229 0.20 . 1 . . . A 23 GLN CB . 19200 1 210 . 1 1 23 23 GLN CG C 13 33.671 0.20 . 1 . . . A 23 GLN CG . 19200 1 211 . 1 1 23 23 GLN N N 15 121.357 0.12 . 1 . . . A 23 GLN N . 19200 1 212 . 1 1 23 23 GLN NE2 N 15 111.092 0.12 . 1 . . . A 23 GLN NE2 . 19200 1 213 . 1 1 24 24 PHE H H 1 7.218 0.02 . 1 . . . A 24 PHE H . 19200 1 214 . 1 1 24 24 PHE HA H 1 4.783 0.02 . 1 . . . A 24 PHE HA . 19200 1 215 . 1 1 24 24 PHE HB2 H 1 3.124 0.02 . 2 . . . A 24 PHE HB2 . 19200 1 216 . 1 1 24 24 PHE HB3 H 1 3.425 0.02 . 2 . . . A 24 PHE HB3 . 19200 1 217 . 1 1 24 24 PHE HD1 H 1 7.322 0.02 . 3 . . . A 24 PHE HD1 . 19200 1 218 . 1 1 24 24 PHE HD2 H 1 7.322 0.02 . 3 . . . A 24 PHE HD2 . 19200 1 219 . 1 1 24 24 PHE HE1 H 1 7.427 0.02 . 3 . . . A 24 PHE HE1 . 19200 1 220 . 1 1 24 24 PHE HE2 H 1 7.427 0.02 . 3 . . . A 24 PHE HE2 . 19200 1 221 . 1 1 24 24 PHE CA C 13 58.205 0.20 . 1 . . . A 24 PHE CA . 19200 1 222 . 1 1 24 24 PHE CB C 13 37.991 0.20 . 1 . . . A 24 PHE CB . 19200 1 223 . 1 1 24 24 PHE CD2 C 13 132.709 0.20 . 3 . . . A 24 PHE CD2 . 19200 1 224 . 1 1 24 24 PHE CE2 C 13 132.791 0.20 . 3 . . . A 24 PHE CE2 . 19200 1 225 . 1 1 24 24 PHE N N 15 113.078 0.12 . 1 . . . A 24 PHE N . 19200 1 226 . 1 1 25 25 TRP H H 1 7.925 0.02 . 1 . . . A 25 TRP H . 19200 1 227 . 1 1 25 25 TRP HA H 1 5.263 0.02 . 1 . . . A 25 TRP HA . 19200 1 228 . 1 1 25 25 TRP HB2 H 1 3.104 0.02 . 2 . . . A 25 TRP HB2 . 19200 1 229 . 1 1 25 25 TRP HB3 H 1 3.842 0.02 . 2 . . . A 25 TRP HB3 . 19200 1 230 . 1 1 25 25 TRP HD1 H 1 6.379 0.02 . 1 . . . A 25 TRP HD1 . 19200 1 231 . 1 1 25 25 TRP HE1 H 1 9.648 0.02 . 1 . . . A 25 TRP HE1 . 19200 1 232 . 1 1 25 25 TRP HE3 H 1 7.148 0.02 . 1 . . . A 25 TRP HE3 . 19200 1 233 . 1 1 25 25 TRP HZ2 H 1 7.339 0.02 . 1 . . . A 25 TRP HZ2 . 19200 1 234 . 1 1 25 25 TRP HZ3 H 1 7.239 0.02 . 1 . . . A 25 TRP HZ3 . 19200 1 235 . 1 1 25 25 TRP HH2 H 1 7.200 0.02 . 1 . . . A 25 TRP HH2 . 19200 1 236 . 1 1 25 25 TRP CA C 13 55.831 0.20 . 1 . . . A 25 TRP CA . 19200 1 237 . 1 1 25 25 TRP CB C 13 28.913 0.20 . 1 . . . A 25 TRP CB . 19200 1 238 . 1 1 25 25 TRP CD1 C 13 123.836 0.20 . 1 . . . A 25 TRP CD1 . 19200 1 239 . 1 1 25 25 TRP CE3 C 13 121.708 0.20 . 1 . . . A 25 TRP CE3 . 19200 1 240 . 1 1 25 25 TRP CZ2 C 13 114.886 0.20 . 1 . . . A 25 TRP CZ2 . 19200 1 241 . 1 1 25 25 TRP CZ3 C 13 121.603 0.20 . 1 . . . A 25 TRP CZ3 . 19200 1 242 . 1 1 25 25 TRP CH2 C 13 125.194 0.20 . 1 . . . A 25 TRP CH2 . 19200 1 243 . 1 1 25 25 TRP N N 15 119.501 0.12 . 1 . . . A 25 TRP N . 19200 1 244 . 1 1 25 25 TRP NE1 N 15 127.005 0.12 . 1 . . . A 25 TRP NE1 . 19200 1 245 . 1 1 26 26 ARG H H 1 8.126 0.02 . 1 . . . A 26 ARG H . 19200 1 246 . 1 1 26 26 ARG HA H 1 4.415 0.02 . 1 . . . A 26 ARG HA . 19200 1 247 . 1 1 26 26 ARG HB2 H 1 1.546 0.02 . 2 . . . A 26 ARG HB2 . 19200 1 248 . 1 1 26 26 ARG HB3 H 1 2.092 0.02 . 2 . . . A 26 ARG HB3 . 19200 1 249 . 1 1 26 26 ARG HG2 H 1 1.546 0.02 . 2 . . . A 26 ARG HG2 . 19200 1 250 . 1 1 26 26 ARG HG3 H 1 1.401 0.02 . 2 . . . A 26 ARG HG3 . 19200 1 251 . 1 1 26 26 ARG HD2 H 1 2.532 0.02 . 2 . . . A 26 ARG HD2 . 19200 1 252 . 1 1 26 26 ARG HD3 H 1 2.874 0.02 . 2 . . . A 26 ARG HD3 . 19200 1 253 . 1 1 26 26 ARG HE H 1 6.925 0.02 . 1 . . . A 26 ARG HE . 19200 1 254 . 1 1 26 26 ARG CA C 13 56.965 0.20 . 1 . . . A 26 ARG CA . 19200 1 255 . 1 1 26 26 ARG CB C 13 30.716 0.20 . 1 . . . A 26 ARG CB . 19200 1 256 . 1 1 26 26 ARG CG C 13 28.161 0.20 . 1 . . . A 26 ARG CG . 19200 1 257 . 1 1 26 26 ARG CD C 13 43.703 0.20 . 1 . . . A 26 ARG CD . 19200 1 258 . 1 1 26 26 ARG N N 15 126.678 0.12 . 1 . . . A 26 ARG N . 19200 1 259 . 1 1 26 26 ARG NE N 15 84.351 0.12 . 1 . . . A 26 ARG NE . 19200 1 260 . 1 1 27 27 CYS H H 1 8.927 0.02 . 1 . . . A 27 CYS H . 19200 1 261 . 1 1 27 27 CYS HA H 1 4.840 0.02 . 1 . . . A 27 CYS HA . 19200 1 262 . 1 1 27 27 CYS HB2 H 1 3.315 0.02 . 2 . . . A 27 CYS HB2 . 19200 1 263 . 1 1 27 27 CYS HB3 H 1 3.030 0.02 . 2 . . . A 27 CYS HB3 . 19200 1 264 . 1 1 27 27 CYS CA C 13 56.090 0.20 . 1 . . . A 27 CYS CA . 19200 1 265 . 1 1 27 27 CYS CB C 13 36.380 0.20 . 1 . . . A 27 CYS CB . 19200 1 266 . 1 1 27 27 CYS N N 15 123.876 0.12 . 1 . . . A 27 CYS N . 19200 1 267 . 1 1 28 28 ASP H H 1 9.642 0.02 . 1 . . . A 28 ASP H . 19200 1 268 . 1 1 28 28 ASP HA H 1 4.865 0.02 . 1 . . . A 28 ASP HA . 19200 1 269 . 1 1 28 28 ASP HB2 H 1 2.588 0.02 . 2 . . . A 28 ASP HB2 . 19200 1 270 . 1 1 28 28 ASP HB3 H 1 3.123 0.02 . 2 . . . A 28 ASP HB3 . 19200 1 271 . 1 1 28 28 ASP CA C 13 52.819 0.20 . 1 . . . A 28 ASP CA . 19200 1 272 . 1 1 28 28 ASP CB C 13 42.189 0.20 . 1 . . . A 28 ASP CB . 19200 1 273 . 1 1 28 28 ASP N N 15 121.299 0.12 . 1 . . . A 28 ASP N . 19200 1 274 . 1 1 29 29 GLY H H 1 9.361 0.02 . 1 . . . A 29 GLY H . 19200 1 275 . 1 1 29 29 GLY HA2 H 1 4.193 0.02 . 2 . . . A 29 GLY HA2 . 19200 1 276 . 1 1 29 29 GLY HA3 H 1 3.517 0.02 . 2 . . . A 29 GLY HA3 . 19200 1 277 . 1 1 29 29 GLY CA C 13 46.113 0.20 . 1 . . . A 29 GLY CA . 19200 1 278 . 1 1 29 29 GLY N N 15 111.548 0.12 . 1 . . . A 29 GLY N . 19200 1 279 . 1 1 30 30 GLN H H 1 7.513 0.02 . 1 . . . A 30 GLN H . 19200 1 280 . 1 1 30 30 GLN HA H 1 4.570 0.02 . 1 . . . A 30 GLN HA . 19200 1 281 . 1 1 30 30 GLN HB2 H 1 1.936 0.02 . 2 . . . A 30 GLN HB2 . 19200 1 282 . 1 1 30 30 GLN HB3 H 1 1.796 0.02 . 2 . . . A 30 GLN HB3 . 19200 1 283 . 1 1 30 30 GLN HG2 H 1 1.936 0.02 . 2 . . . A 30 GLN HG2 . 19200 1 284 . 1 1 30 30 GLN HG3 H 1 1.936 0.02 . 2 . . . A 30 GLN HG3 . 19200 1 285 . 1 1 30 30 GLN HE21 H 1 7.454 0.02 . 2 . . . A 30 GLN HE21 . 19200 1 286 . 1 1 30 30 GLN HE22 H 1 6.393 0.02 . 2 . . . A 30 GLN HE22 . 19200 1 287 . 1 1 30 30 GLN CA C 13 53.953 0.20 . 1 . . . A 30 GLN CA . 19200 1 288 . 1 1 30 30 GLN CB C 13 31.253 0.20 . 1 . . . A 30 GLN CB . 19200 1 289 . 1 1 30 30 GLN CG C 13 34.143 0.20 . 1 . . . A 30 GLN CG . 19200 1 290 . 1 1 30 30 GLN N N 15 119.081 0.12 . 1 . . . A 30 GLN N . 19200 1 291 . 1 1 30 30 GLN NE2 N 15 112.792 0.12 . 1 . . . A 30 GLN NE2 . 19200 1 292 . 1 1 31 31 VAL H H 1 9.403 0.02 . 1 . . . A 31 VAL H . 19200 1 293 . 1 1 31 31 VAL HA H 1 3.949 0.02 . 1 . . . A 31 VAL HA . 19200 1 294 . 1 1 31 31 VAL HB H 1 2.085 0.02 . 1 . . . A 31 VAL HB . 19200 1 295 . 1 1 31 31 VAL HG11 H 1 1.119 0.02 . 2 . . . A 31 VAL HG11 . 19200 1 296 . 1 1 31 31 VAL HG12 H 1 1.119 0.02 . 2 . . . A 31 VAL HG12 . 19200 1 297 . 1 1 31 31 VAL HG13 H 1 1.119 0.02 . 2 . . . A 31 VAL HG13 . 19200 1 298 . 1 1 31 31 VAL HG21 H 1 0.967 0.02 . 2 . . . A 31 VAL HG21 . 19200 1 299 . 1 1 31 31 VAL HG22 H 1 0.967 0.02 . 2 . . . A 31 VAL HG22 . 19200 1 300 . 1 1 31 31 VAL HG23 H 1 0.967 0.02 . 2 . . . A 31 VAL HG23 . 19200 1 301 . 1 1 31 31 VAL CA C 13 65.173 0.20 . 1 . . . A 31 VAL CA . 19200 1 302 . 1 1 31 31 VAL CB C 13 31.503 0.20 . 1 . . . A 31 VAL CB . 19200 1 303 . 1 1 31 31 VAL CG1 C 13 24.011 0.20 . 2 . . . A 31 VAL CG1 . 19200 1 304 . 1 1 31 31 VAL CG2 C 13 22.328 0.20 . 2 . . . A 31 VAL CG2 . 19200 1 305 . 1 1 31 31 VAL N N 15 130.267 0.12 . 1 . . . A 31 VAL N . 19200 1 306 . 1 1 32 32 ASP H H 1 10.474 0.02 . 1 . . . A 32 ASP H . 19200 1 307 . 1 1 32 32 ASP HA H 1 4.859 0.02 . 1 . . . A 32 ASP HA . 19200 1 308 . 1 1 32 32 ASP HB2 H 1 2.721 0.02 . 2 . . . A 32 ASP HB2 . 19200 1 309 . 1 1 32 32 ASP HB3 H 1 2.950 0.02 . 2 . . . A 32 ASP HB3 . 19200 1 310 . 1 1 32 32 ASP CA C 13 56.636 0.20 . 1 . . . A 32 ASP CA . 19200 1 311 . 1 1 32 32 ASP CB C 13 45.816 0.20 . 1 . . . A 32 ASP CB . 19200 1 312 . 1 1 32 32 ASP N N 15 131.364 0.12 . 1 . . . A 32 ASP N . 19200 1 313 . 1 1 33 33 CYS H H 1 8.231 0.02 . 1 . . . A 33 CYS H . 19200 1 314 . 1 1 33 33 CYS HA H 1 4.984 0.02 . 1 . . . A 33 CYS HA . 19200 1 315 . 1 1 33 33 CYS HB2 H 1 3.230 0.02 . 2 . . . A 33 CYS HB2 . 19200 1 316 . 1 1 33 33 CYS HB3 H 1 3.230 0.02 . 2 . . . A 33 CYS HB3 . 19200 1 317 . 1 1 33 33 CYS CA C 13 54.411 0.20 . 1 . . . A 33 CYS CA . 19200 1 318 . 1 1 33 33 CYS CB C 13 43.130 0.20 . 1 . . . A 33 CYS CB . 19200 1 319 . 1 1 33 33 CYS N N 15 119.127 0.12 . 1 . . . A 33 CYS N . 19200 1 320 . 1 1 34 34 ASP HA H 1 4.283 0.02 . 1 . . . A 34 ASP HA . 19200 1 321 . 1 1 34 34 ASP HB2 H 1 2.801 0.02 . 2 . . . A 34 ASP HB2 . 19200 1 322 . 1 1 34 34 ASP HB3 H 1 2.752 0.02 . 2 . . . A 34 ASP HB3 . 19200 1 323 . 1 1 34 34 ASP CA C 13 57.651 0.20 . 1 . . . A 34 ASP CA . 19200 1 324 . 1 1 34 34 ASP CB C 13 40.574 0.20 . 1 . . . A 34 ASP CB . 19200 1 325 . 1 1 35 35 ASN H H 1 7.842 0.02 . 1 . . . A 35 ASN H . 19200 1 326 . 1 1 35 35 ASN HA H 1 4.796 0.02 . 1 . . . A 35 ASN HA . 19200 1 327 . 1 1 35 35 ASN HB2 H 1 3.399 0.02 . 2 . . . A 35 ASN HB2 . 19200 1 328 . 1 1 35 35 ASN HB3 H 1 2.869 0.02 . 2 . . . A 35 ASN HB3 . 19200 1 329 . 1 1 35 35 ASN HD21 H 1 7.859 0.02 . 2 . . . A 35 ASN HD21 . 19200 1 330 . 1 1 35 35 ASN HD22 H 1 7.401 0.02 . 2 . . . A 35 ASN HD22 . 19200 1 331 . 1 1 35 35 ASN CA C 13 52.031 0.20 . 1 . . . A 35 ASN CA . 19200 1 332 . 1 1 35 35 ASN CB C 13 38.525 0.20 . 1 . . . A 35 ASN CB . 19200 1 333 . 1 1 35 35 ASN N N 15 114.887 0.12 . 1 . . . A 35 ASN N . 19200 1 334 . 1 1 35 35 ASN ND2 N 15 112.971 0.12 . 1 . . . A 35 ASN ND2 . 19200 1 335 . 1 1 36 36 GLY H H 1 8.269 0.02 . 1 . . . A 36 GLY H . 19200 1 336 . 1 1 36 36 GLY HA2 H 1 4.215 0.02 . 2 . . . A 36 GLY HA2 . 19200 1 337 . 1 1 36 36 GLY HA3 H 1 3.908 0.02 . 2 . . . A 36 GLY HA3 . 19200 1 338 . 1 1 36 36 GLY CA C 13 46.895 0.20 . 1 . . . A 36 GLY CA . 19200 1 339 . 1 1 36 36 GLY N N 15 106.757 0.12 . 1 . . . A 36 GLY N . 19200 1 340 . 1 1 37 37 SER H H 1 7.900 0.02 . 1 . . . A 37 SER H . 19200 1 341 . 1 1 37 37 SER HA H 1 4.026 0.02 . 1 . . . A 37 SER HA . 19200 1 342 . 1 1 37 37 SER HB2 H 1 3.976 0.02 . 2 . . . A 37 SER HB2 . 19200 1 343 . 1 1 37 37 SER HB3 H 1 4.121 0.02 . 2 . . . A 37 SER HB3 . 19200 1 344 . 1 1 37 37 SER CA C 13 62.619 0.20 . 1 . . . A 37 SER CA . 19200 1 345 . 1 1 37 37 SER CB C 13 63.494 0.20 . 1 . . . A 37 SER CB . 19200 1 346 . 1 1 37 37 SER N N 15 115.625 0.12 . 1 . . . A 37 SER N . 19200 1 347 . 1 1 38 38 ASP H H 1 9.737 0.02 . 1 . . . A 38 ASP H . 19200 1 348 . 1 1 38 38 ASP HA H 1 4.437 0.02 . 1 . . . A 38 ASP HA . 19200 1 349 . 1 1 38 38 ASP HB2 H 1 2.846 0.02 . 2 . . . A 38 ASP HB2 . 19200 1 350 . 1 1 38 38 ASP HB3 H 1 3.170 0.02 . 2 . . . A 38 ASP HB3 . 19200 1 351 . 1 1 38 38 ASP CA C 13 56.398 0.20 . 1 . . . A 38 ASP CA . 19200 1 352 . 1 1 38 38 ASP CB C 13 41.045 0.20 . 1 . . . A 38 ASP CB . 19200 1 353 . 1 1 38 38 ASP N N 15 117.183 0.12 . 1 . . . A 38 ASP N . 19200 1 354 . 1 1 39 39 GLU H H 1 7.511 0.02 . 1 . . . A 39 GLU H . 19200 1 355 . 1 1 39 39 GLU HA H 1 4.866 0.02 . 1 . . . A 39 GLU HA . 19200 1 356 . 1 1 39 39 GLU HB2 H 1 1.520 0.02 . 2 . . . A 39 GLU HB2 . 19200 1 357 . 1 1 39 39 GLU HB3 H 1 2.590 0.02 . 2 . . . A 39 GLU HB3 . 19200 1 358 . 1 1 39 39 GLU HG2 H 1 2.229 0.02 . 2 . . . A 39 GLU HG2 . 19200 1 359 . 1 1 39 39 GLU HG3 H 1 1.937 0.02 . 2 . . . A 39 GLU HG3 . 19200 1 360 . 1 1 39 39 GLU CA C 13 54.774 0.20 . 1 . . . A 39 GLU CA . 19200 1 361 . 1 1 39 39 GLU CB C 13 30.374 0.20 . 1 . . . A 39 GLU CB . 19200 1 362 . 1 1 39 39 GLU CG C 13 37.420 0.20 . 1 . . . A 39 GLU CG . 19200 1 363 . 1 1 39 39 GLU N N 15 116.916 0.12 . 1 . . . A 39 GLU N . 19200 1 364 . 1 1 40 40 GLN H H 1 7.084 0.02 . 1 . . . A 40 GLN H . 19200 1 365 . 1 1 40 40 GLN HA H 1 4.535 0.02 . 1 . . . A 40 GLN HA . 19200 1 366 . 1 1 40 40 GLN HB2 H 1 2.097 0.02 . 2 . . . A 40 GLN HB2 . 19200 1 367 . 1 1 40 40 GLN HB3 H 1 2.001 0.02 . 2 . . . A 40 GLN HB3 . 19200 1 368 . 1 1 40 40 GLN HG2 H 1 2.457 0.02 . 2 . . . A 40 GLN HG2 . 19200 1 369 . 1 1 40 40 GLN HG3 H 1 2.441 0.02 . 2 . . . A 40 GLN HG3 . 19200 1 370 . 1 1 40 40 GLN HE21 H 1 7.472 0.02 . 2 . . . A 40 GLN HE21 . 19200 1 371 . 1 1 40 40 GLN HE22 H 1 6.810 0.02 . 2 . . . A 40 GLN HE22 . 19200 1 372 . 1 1 40 40 GLN CA C 13 55.371 0.20 . 1 . . . A 40 GLN CA . 19200 1 373 . 1 1 40 40 GLN CB C 13 30.705 0.20 . 1 . . . A 40 GLN CB . 19200 1 374 . 1 1 40 40 GLN CG C 13 34.075 0.20 . 1 . . . A 40 GLN CG . 19200 1 375 . 1 1 40 40 GLN N N 15 120.503 0.12 . 1 . . . A 40 GLN N . 19200 1 376 . 1 1 40 40 GLN NE2 N 15 112.149 0.12 . 1 . . . A 40 GLN NE2 . 19200 1 377 . 1 1 41 41 GLY H H 1 8.992 0.02 . 1 . . . A 41 GLY H . 19200 1 378 . 1 1 41 41 GLY HA2 H 1 3.864 0.02 . 2 . . . A 41 GLY HA2 . 19200 1 379 . 1 1 41 41 GLY HA3 H 1 3.950 0.02 . 2 . . . A 41 GLY HA3 . 19200 1 380 . 1 1 41 41 GLY CA C 13 47.145 0.20 . 1 . . . A 41 GLY CA . 19200 1 381 . 1 1 41 41 GLY N N 15 113.842 0.12 . 1 . . . A 41 GLY N . 19200 1 382 . 1 1 42 42 CYS H H 1 7.787 0.02 . 1 . . . A 42 CYS H . 19200 1 383 . 1 1 42 42 CYS HA H 1 4.368 0.02 . 1 . . . A 42 CYS HA . 19200 1 384 . 1 1 42 42 CYS HB2 H 1 3.140 0.02 . 2 . . . A 42 CYS HB2 . 19200 1 385 . 1 1 42 42 CYS HB3 H 1 2.746 0.02 . 2 . . . A 42 CYS HB3 . 19200 1 386 . 1 1 42 42 CYS CA C 13 57.093 0.20 . 1 . . . A 42 CYS CA . 19200 1 387 . 1 1 42 42 CYS CB C 13 41.045 0.20 . 1 . . . A 42 CYS CB . 19200 1 388 . 1 1 42 42 CYS N N 15 124.471 0.12 . 1 . . . A 42 CYS N . 19200 1 stop_ save_