################################### # 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 18874 _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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 'Digital resolution' _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' . . . 18874 1 2 '2D 1H-1H NOESY' . . . 18874 1 3 '3D 1H-15N NOESY' . . . 18874 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 MET HA H 1 4.401 0.01 . 1 . . . . 187 MET HA . 18874 1 2 . 1 1 2 2 ASP H H 1 8.465 0.01 . 1 . . . . 188 ASP HN . 18874 1 3 . 1 1 2 2 ASP HA H 1 4.562 0.01 . 1 . . . . 188 ASP HA . 18874 1 4 . 1 1 2 2 ASP N N 15 121.094 0.1 . 1 . . . . 188 ASP N . 18874 1 5 . 1 1 3 3 MET H H 1 8.106 0.01 . 1 . . . . 189 MET HN . 18874 1 6 . 1 1 3 3 MET HA H 1 4.805 0.01 . 1 . . . . 189 MET HA . 18874 1 7 . 1 1 3 3 MET HB2 H 1 1.931 0.01 . 2 . . . . 189 MET HB2 . 18874 1 8 . 1 1 3 3 MET HB3 H 1 2.033 0.01 . 2 . . . . 189 MET HB3 . 18874 1 9 . 1 1 3 3 MET N N 15 121.456 0.1 . 1 . . . . 189 MET N . 18874 1 10 . 1 1 4 4 PRO HA H 1 4.455 0.01 . 1 . . . . 190 PRO HA . 18874 1 11 . 1 1 5 5 VAL H H 1 8.230 0.01 . 1 . . . . 191 VAL HN . 18874 1 12 . 1 1 5 5 VAL HA H 1 4.054 0.01 . 1 . . . . 191 VAL HA . 18874 1 13 . 1 1 5 5 VAL HB H 1 2.008 0.01 . 1 . . . . 191 VAL HB . 18874 1 14 . 1 1 5 5 VAL HG11 H 1 0.910 0.01 . 2 . . . . 191 VAL HG11 . 18874 1 15 . 1 1 5 5 VAL HG12 H 1 0.910 0.01 . 2 . . . . 191 VAL HG11 . 18874 1 16 . 1 1 5 5 VAL HG13 H 1 0.910 0.01 . 2 . . . . 191 VAL HG11 . 18874 1 17 . 1 1 5 5 VAL HG21 H 1 0.942 0.01 . 2 . . . . 191 VAL HG21 . 18874 1 18 . 1 1 5 5 VAL HG22 H 1 0.942 0.01 . 2 . . . . 191 VAL HG21 . 18874 1 19 . 1 1 5 5 VAL HG23 H 1 0.942 0.01 . 2 . . . . 191 VAL HG21 . 18874 1 20 . 1 1 5 5 VAL N N 15 120.697 0.1 . 1 . . . . 191 VAL N . 18874 1 21 . 1 1 6 6 ASP H H 1 8.558 0.01 . 1 . . . . 192 ASP HN . 18874 1 22 . 1 1 6 6 ASP HA H 1 4.888 0.01 . 1 . . . . 192 ASP HA . 18874 1 23 . 1 1 6 6 ASP HB2 H 1 2.584 0.01 . 2 . . . . 192 ASP HB2 . 18874 1 24 . 1 1 6 6 ASP HB3 H 1 2.829 0.01 . 2 . . . . 192 ASP HB3 . 18874 1 25 . 1 1 6 6 ASP N N 15 126.224 0.1 . 1 . . . . 192 ASP N . 18874 1 26 . 1 1 7 7 PRO HA H 1 4.411 0.01 . 1 . . . . 193 PRO HA . 18874 1 27 . 1 1 7 7 PRO HB2 H 1 2.285 0.01 . 2 . . . . 193 PRO HB2 . 18874 1 28 . 1 1 7 7 PRO HG2 H 1 1.964 0.01 . 2 . . . . 193 PRO HG2 . 18874 1 29 . 1 1 7 7 PRO HG3 H 1 2.027 0.01 . 2 . . . . 193 PRO HG3 . 18874 1 30 . 1 1 7 7 PRO HD2 H 1 3.880 0.01 . 2 . . . . 193 PRO HD2 . 18874 1 31 . 1 1 8 8 ASN H H 1 8.563 0.01 . 1 . . . . 194 ASN HN . 18874 1 32 . 1 1 8 8 ASN HA H 1 4.689 0.01 . 1 . . . . 194 ASN HA . 18874 1 33 . 1 1 8 8 ASN HB2 H 1 2.724 0.01 . 2 . . . . 194 ASN HB2 . 18874 1 34 . 1 1 8 8 ASN HB3 H 1 2.827 0.01 . 2 . . . . 194 ASN HB3 . 18874 1 35 . 1 1 8 8 ASN HD21 H 1 6.937 0.01 . 2 . . . . 194 ASN HD21 . 18874 1 36 . 1 1 8 8 ASN HD22 H 1 7.814 0.01 . 2 . . . . 194 ASN HD22 . 18874 1 37 . 1 1 8 8 ASN N N 15 117.534 0.1 . 1 . . . . 194 ASN N . 18874 1 38 . 1 1 8 8 ASN ND2 N 15 114.363 0.1 . 1 . . . . 194 ASN ND2 . 18874 1 39 . 1 1 9 9 GLU H H 1 7.830 0.01 . 1 . . . . 195 GLU HN . 18874 1 40 . 1 1 9 9 GLU HA H 1 4.549 0.01 . 1 . . . . 195 GLU HA . 18874 1 41 . 1 1 9 9 GLU HB2 H 1 1.967 0.01 . 2 . . . . 195 GLU HB2 . 18874 1 42 . 1 1 9 9 GLU HB3 H 1 2.020 0.01 . 2 . . . . 195 GLU HB3 . 18874 1 43 . 1 1 9 9 GLU HG2 H 1 2.337 0.01 . 2 . . . . 195 GLU HG2 . 18874 1 44 . 1 1 9 9 GLU N N 15 122.694 0.1 . 1 . . . . 195 GLU N . 18874 1 45 . 1 1 10 10 PRO HA H 1 4.295 0.01 . 1 . . . . 196 PRO HA . 18874 1 46 . 1 1 10 10 PRO HB2 H 1 1.577 0.01 . 2 . . . . 196 PRO HB2 . 18874 1 47 . 1 1 10 10 PRO HB3 H 1 2.095 0.01 . 2 . . . . 196 PRO HB3 . 18874 1 48 . 1 1 10 10 PRO HG2 H 1 1.983 0.01 . 2 . . . . 196 PRO HG2 . 18874 1 49 . 1 1 10 10 PRO HG3 H 1 2.048 0.01 . 2 . . . . 196 PRO HG3 . 18874 1 50 . 1 1 10 10 PRO HD2 H 1 3.686 0.01 . 2 . . . . 196 PRO HD2 . 18874 1 51 . 1 1 10 10 PRO HD3 H 1 3.820 0.01 . 2 . . . . 196 PRO HD3 . 18874 1 52 . 1 1 11 11 THR H H 1 7.531 0.01 . 1 . . . . 197 THR HN . 18874 1 53 . 1 1 11 11 THR HA H 1 4.136 0.01 . 1 . . . . 197 THR HA . 18874 1 54 . 1 1 11 11 THR HB H 1 3.677 0.01 . 1 . . . . 197 THR HB . 18874 1 55 . 1 1 11 11 THR HG21 H 1 1.015 0.01 . 1 . . . . 197 THR HG21 . 18874 1 56 . 1 1 11 11 THR HG22 H 1 1.015 0.01 . 1 . . . . 197 THR HG21 . 18874 1 57 . 1 1 11 11 THR HG23 H 1 1.015 0.01 . 1 . . . . 197 THR HG21 . 18874 1 58 . 1 1 11 11 THR N N 15 109.132 0.1 . 1 . . . . 197 THR N . 18874 1 59 . 1 1 12 12 TYR H H 1 8.296 0.01 . 1 . . . . 198 TYR HN . 18874 1 60 . 1 1 12 12 TYR HA H 1 5.110 0.01 . 1 . . . . 198 TYR HA . 18874 1 61 . 1 1 12 12 TYR HB2 H 1 2.010 0.01 . 2 . . . . 198 TYR HB2 . 18874 1 62 . 1 1 12 12 TYR HB3 H 1 3.112 0.01 . 2 . . . . 198 TYR HB3 . 18874 1 63 . 1 1 12 12 TYR HD2 H 1 7.097 0.01 . 3 . . . . 198 TYR HD2 . 18874 1 64 . 1 1 12 12 TYR HE2 H 1 6.794 0.01 . 3 . . . . 198 TYR HE2 . 18874 1 65 . 1 1 12 12 TYR N N 15 118.240 0.1 . 1 . . . . 198 TYR N . 18874 1 66 . 1 1 13 13 CYS H H 1 7.166 0.01 . 1 . . . . 199 CYS HN . 18874 1 67 . 1 1 13 13 CYS HA H 1 3.701 0.01 . 1 . . . . 199 CYS HA . 18874 1 68 . 1 1 13 13 CYS HB2 H 1 2.375 0.01 . 2 . . . . 199 CYS HB2 . 18874 1 69 . 1 1 13 13 CYS HB3 H 1 4.681 0.01 . 2 . . . . 199 CYS HB3 . 18874 1 70 . 1 1 13 13 CYS N N 15 115.596 0.1 . 1 . . . . 199 CYS N . 18874 1 71 . 1 1 14 14 LEU H H 1 9.896 0.01 . 1 . . . . 200 LEU HN . 18874 1 72 . 1 1 14 14 LEU HA H 1 4.292 0.01 . 1 . . . . 200 LEU HA . 18874 1 73 . 1 1 14 14 LEU HB2 H 1 1.873 0.01 . 2 . . . . 200 LEU HB2 . 18874 1 74 . 1 1 14 14 LEU HB3 H 1 2.005 0.01 . 2 . . . . 200 LEU HB3 . 18874 1 75 . 1 1 14 14 LEU HG H 1 2.200 0.01 . 1 . . . . 200 LEU HG . 18874 1 76 . 1 1 14 14 LEU HD11 H 1 1.169 0.01 . 2 . . . . 200 LEU HD11 . 18874 1 77 . 1 1 14 14 LEU HD12 H 1 1.169 0.01 . 2 . . . . 200 LEU HD11 . 18874 1 78 . 1 1 14 14 LEU HD13 H 1 1.169 0.01 . 2 . . . . 200 LEU HD11 . 18874 1 79 . 1 1 14 14 LEU HD21 H 1 1.150 0.01 . 2 . . . . 200 LEU HD21 . 18874 1 80 . 1 1 14 14 LEU HD22 H 1 1.150 0.01 . 2 . . . . 200 LEU HD21 . 18874 1 81 . 1 1 14 14 LEU HD23 H 1 1.150 0.01 . 2 . . . . 200 LEU HD21 . 18874 1 82 . 1 1 14 14 LEU N N 15 126.702 0.1 . 1 . . . . 200 LEU N . 18874 1 83 . 1 1 15 15 CYS H H 1 7.598 0.01 . 1 . . . . 201 CYS HN . 18874 1 84 . 1 1 15 15 CYS HA H 1 4.604 0.01 . 1 . . . . 201 CYS HA . 18874 1 85 . 1 1 15 15 CYS HB2 H 1 3.149 0.01 . 2 . . . . 201 CYS HB2 . 18874 1 86 . 1 1 15 15 CYS HB3 H 1 3.306 0.01 . 2 . . . . 201 CYS HB3 . 18874 1 87 . 1 1 15 15 CYS N N 15 114.446 0.1 . 1 . . . . 201 CYS N . 18874 1 88 . 1 1 16 16 HIS H H 1 7.657 0.01 . 1 . . . . 202 HIS HN . 18874 1 89 . 1 1 16 16 HIS HA H 1 4.387 0.01 . 1 . . . . 202 HIS HA . 18874 1 90 . 1 1 16 16 HIS HB2 H 1 3.283 0.01 . 2 . . . . 202 HIS HB2 . 18874 1 91 . 1 1 16 16 HIS HB3 H 1 3.558 0.01 . 2 . . . . 202 HIS HB3 . 18874 1 92 . 1 1 16 16 HIS HD2 H 1 7.194 0.01 . 1 . . . . 202 HIS HD2 . 18874 1 93 . 1 1 16 16 HIS N N 15 119.739 0.1 . 1 . . . . 202 HIS N . 18874 1 94 . 1 1 17 17 GLN H H 1 8.090 0.01 . 1 . . . . 203 GLN HN . 18874 1 95 . 1 1 17 17 GLN HA H 1 5.071 0.01 . 1 . . . . 203 GLN HA . 18874 1 96 . 1 1 17 17 GLN HB2 H 1 2.345 0.01 . 2 . . . . 203 GLN HB2 . 18874 1 97 . 1 1 17 17 GLN HG2 H 1 2.521 0.01 . 2 . . . . 203 GLN HG2 . 18874 1 98 . 1 1 17 17 GLN HG3 H 1 2.622 0.01 . 2 . . . . 203 GLN HG3 . 18874 1 99 . 1 1 17 17 GLN HE21 H 1 6.878 0.01 . 2 . . . . 203 GLN HE21 . 18874 1 100 . 1 1 17 17 GLN HE22 H 1 7.528 0.01 . 2 . . . . 203 GLN HE22 . 18874 1 101 . 1 1 17 17 GLN N N 15 117.183 0.1 . 1 . . . . 203 GLN N . 18874 1 102 . 1 1 17 17 GLN NE2 N 15 113.263 0.1 . 1 . . . . 203 GLN NE2 . 18874 1 103 . 1 1 18 18 VAL H H 1 8.196 0.01 . 1 . . . . 204 VAL HN . 18874 1 104 . 1 1 18 18 VAL HA H 1 4.560 0.01 . 1 . . . . 204 VAL HA . 18874 1 105 . 1 1 18 18 VAL HB H 1 2.593 0.01 . 1 . . . . 204 VAL HB . 18874 1 106 . 1 1 18 18 VAL HG11 H 1 1.025 0.01 . 2 . . . . 204 VAL HG11 . 18874 1 107 . 1 1 18 18 VAL HG12 H 1 1.025 0.01 . 2 . . . . 204 VAL HG11 . 18874 1 108 . 1 1 18 18 VAL HG13 H 1 1.025 0.01 . 2 . . . . 204 VAL HG11 . 18874 1 109 . 1 1 18 18 VAL HG21 H 1 1.068 0.01 . 2 . . . . 204 VAL HG21 . 18874 1 110 . 1 1 18 18 VAL HG22 H 1 1.068 0.01 . 2 . . . . 204 VAL HG21 . 18874 1 111 . 1 1 18 18 VAL HG23 H 1 1.068 0.01 . 2 . . . . 204 VAL HG21 . 18874 1 112 . 1 1 18 18 VAL N N 15 113.523 0.1 . 1 . . . . 204 VAL N . 18874 1 113 . 1 1 19 19 SER H H 1 8.887 0.01 . 1 . . . . 205 SER HN . 18874 1 114 . 1 1 19 19 SER HA H 1 4.047 0.01 . 1 . . . . 205 SER HA . 18874 1 115 . 1 1 19 19 SER HB2 H 1 3.658 0.01 . 2 . . . . 205 SER HB2 . 18874 1 116 . 1 1 19 19 SER N N 15 115.303 0.1 . 1 . . . . 205 SER N . 18874 1 117 . 1 1 20 20 TYR H H 1 7.356 0.01 . 1 . . . . 206 TYR HN . 18874 1 118 . 1 1 20 20 TYR HA H 1 4.622 0.01 . 1 . . . . 206 TYR HA . 18874 1 119 . 1 1 20 20 TYR HB2 H 1 2.939 0.01 . 2 . . . . 206 TYR HB2 . 18874 1 120 . 1 1 20 20 TYR HB3 H 1 3.199 0.01 . 2 . . . . 206 TYR HB3 . 18874 1 121 . 1 1 20 20 TYR HD1 H 1 6.911 0.01 . 3 . . . . 206 TYR HD1 . 18874 1 122 . 1 1 20 20 TYR HE1 H 1 6.443 0.01 . 3 . . . . 206 TYR HE1 . 18874 1 123 . 1 1 20 20 TYR HH H 1 7.415 0.01 . 1 . . . . 206 TYR HH . 18874 1 124 . 1 1 20 20 TYR N N 15 120.147 0.1 . 1 . . . . 206 TYR N . 18874 1 125 . 1 1 21 21 GLY H H 1 8.692 0.01 . 1 . . . . 207 GLY HN . 18874 1 126 . 1 1 21 21 GLY HA2 H 1 3.770 0.01 . 2 . . . . 207 GLY HA1 . 18874 1 127 . 1 1 21 21 GLY HA3 H 1 3.862 0.01 . 2 . . . . 207 GLY HA2 . 18874 1 128 . 1 1 21 21 GLY N N 15 109.111 0.1 . 1 . . . . 207 GLY N . 18874 1 129 . 1 1 22 22 GLU H H 1 8.252 0.01 . 1 . . . . 208 GLU HN . 18874 1 130 . 1 1 22 22 GLU HA H 1 3.980 0.01 . 1 . . . . 208 GLU HA . 18874 1 131 . 1 1 22 22 GLU HB2 H 1 0.411 0.01 . 2 . . . . 208 GLU HB2 . 18874 1 132 . 1 1 22 22 GLU HB3 H 1 0.876 0.01 . 2 . . . . 208 GLU HB3 . 18874 1 133 . 1 1 22 22 GLU HG2 H 1 1.743 0.01 . 2 . . . . 208 GLU HG2 . 18874 1 134 . 1 1 22 22 GLU HG3 H 1 1.874 0.01 . 2 . . . . 208 GLU HG3 . 18874 1 135 . 1 1 22 22 GLU N N 15 122.297 0.1 . 1 . . . . 208 GLU N . 18874 1 136 . 1 1 23 23 MET H H 1 8.310 0.01 . 1 . . . . 209 MET HN . 18874 1 137 . 1 1 23 23 MET HA H 1 5.490 0.01 . 1 . . . . 209 MET HA . 18874 1 138 . 1 1 23 23 MET HB2 H 1 1.617 0.01 . 2 . . . . 209 MET HB2 . 18874 1 139 . 1 1 23 23 MET HB3 H 1 1.730 0.01 . 2 . . . . 209 MET HB3 . 18874 1 140 . 1 1 23 23 MET HG2 H 1 2.094 0.01 . 2 . . . . 209 MET HG2 . 18874 1 141 . 1 1 23 23 MET HG3 H 1 2.204 0.01 . 2 . . . . 209 MET HG3 . 18874 1 142 . 1 1 23 23 MET N N 15 124.117 0.1 . 1 . . . . 209 MET N . 18874 1 143 . 1 1 24 24 ILE H H 1 9.680 0.01 . 1 . . . . 210 ILE HN . 18874 1 144 . 1 1 24 24 ILE HA H 1 4.767 0.01 . 1 . . . . 210 ILE HA . 18874 1 145 . 1 1 24 24 ILE HB H 1 1.349 0.01 . 1 . . . . 210 ILE HB . 18874 1 146 . 1 1 24 24 ILE HG12 H 1 0.532 0.01 . 2 . . . . 210 ILE HG12 . 18874 1 147 . 1 1 24 24 ILE HG13 H 1 1.231 0.01 . 2 . . . . 210 ILE HG13 . 18874 1 148 . 1 1 24 24 ILE HG21 H 1 -0.052 0.01 . 1 . . . . 210 ILE HG21 . 18874 1 149 . 1 1 24 24 ILE HG22 H 1 -0.052 0.01 . 1 . . . . 210 ILE HG21 . 18874 1 150 . 1 1 24 24 ILE HG23 H 1 -0.052 0.01 . 1 . . . . 210 ILE HG21 . 18874 1 151 . 1 1 24 24 ILE HD11 H 1 0.244 0.01 . 1 . . . . 210 ILE HD11 . 18874 1 152 . 1 1 24 24 ILE HD12 H 1 0.244 0.01 . 1 . . . . 210 ILE HD11 . 18874 1 153 . 1 1 24 24 ILE HD13 H 1 0.244 0.01 . 1 . . . . 210 ILE HD11 . 18874 1 154 . 1 1 24 24 ILE N N 15 121.993 0.1 . 1 . . . . 210 ILE N . 18874 1 155 . 1 1 25 25 GLY H H 1 8.309 0.01 . 1 . . . . 211 GLY HN . 18874 1 156 . 1 1 25 25 GLY HA2 H 1 2.612 0.01 . 2 . . . . 211 GLY HA1 . 18874 1 157 . 1 1 25 25 GLY HA3 H 1 4.813 0.01 . 2 . . . . 211 GLY HA2 . 18874 1 158 . 1 1 25 25 GLY N N 15 116.320 0.1 . 1 . . . . 211 GLY N . 18874 1 159 . 1 1 26 26 CYS H H 1 8.622 0.01 . 1 . . . . 212 CYS HN . 18874 1 160 . 1 1 26 26 CYS HA H 1 4.597 0.01 . 1 . . . . 212 CYS HA . 18874 1 161 . 1 1 26 26 CYS HB2 H 1 3.090 0.01 . 2 . . . . 212 CYS HB2 . 18874 1 162 . 1 1 26 26 CYS HB3 H 1 3.253 0.01 . 2 . . . . 212 CYS HB3 . 18874 1 163 . 1 1 26 26 CYS N N 15 126.284 0.1 . 1 . . . . 212 CYS N . 18874 1 164 . 1 1 27 27 ASP H H 1 9.024 0.01 . 1 . . . . 213 ASP HN . 18874 1 165 . 1 1 27 27 ASP HA H 1 4.736 0.01 . 1 . . . . 213 ASP HA . 18874 1 166 . 1 1 27 27 ASP HB2 H 1 1.819 0.01 . 2 . . . . 213 ASP HB2 . 18874 1 167 . 1 1 27 27 ASP HB3 H 1 2.555 0.01 . 2 . . . . 213 ASP HB3 . 18874 1 168 . 1 1 27 27 ASP N N 15 127.489 0.1 . 1 . . . . 213 ASP N . 18874 1 169 . 1 1 28 28 ASP H H 1 9.164 0.01 . 1 . . . . 214 ASP HN . 18874 1 170 . 1 1 28 28 ASP HA H 1 5.004 0.01 . 1 . . . . 214 ASP HA . 18874 1 171 . 1 1 28 28 ASP HB2 H 1 2.476 0.01 . 2 . . . . 214 ASP HB2 . 18874 1 172 . 1 1 28 28 ASP HB3 H 1 4.013 0.01 . 2 . . . . 214 ASP HB3 . 18874 1 173 . 1 1 28 28 ASP N N 15 128.012 0.1 . 1 . . . . 214 ASP N . 18874 1 174 . 1 1 29 29 PRO HA H 1 4.427 0.01 . 1 . . . . 215 PRO HA . 18874 1 175 . 1 1 29 29 PRO HB2 H 1 2.342 0.01 . 2 . . . . 215 PRO HB2 . 18874 1 176 . 1 1 29 29 PRO HB3 H 1 2.463 0.01 . 2 . . . . 215 PRO HB3 . 18874 1 177 . 1 1 29 29 PRO HG2 H 1 1.953 0.01 . 2 . . . . 215 PRO HG2 . 18874 1 178 . 1 1 29 29 PRO HG3 H 1 2.045 0.01 . 2 . . . . 215 PRO HG3 . 18874 1 179 . 1 1 29 29 PRO HD2 H 1 3.842 0.01 . 2 . . . . 215 PRO HD2 . 18874 1 180 . 1 1 29 29 PRO HD3 H 1 4.040 0.01 . 2 . . . . 215 PRO HD3 . 18874 1 181 . 1 1 30 30 ASP H H 1 9.002 0.01 . 1 . . . . 216 ASP HN . 18874 1 182 . 1 1 30 30 ASP HA H 1 4.824 0.01 . 1 . . . . 216 ASP HA . 18874 1 183 . 1 1 30 30 ASP HB2 H 1 2.409 0.01 . 2 . . . . 216 ASP HB2 . 18874 1 184 . 1 1 30 30 ASP HB3 H 1 2.828 0.01 . 2 . . . . 216 ASP HB3 . 18874 1 185 . 1 1 30 30 ASP N N 15 118.234 0.1 . 1 . . . . 216 ASP N . 18874 1 186 . 1 1 31 31 CYS H H 1 7.692 0.01 . 1 . . . . 217 CYS HN . 18874 1 187 . 1 1 31 31 CYS HA H 1 3.687 0.01 . 1 . . . . 217 CYS HA . 18874 1 188 . 1 1 31 31 CYS HB2 H 1 2.825 0.01 . 2 . . . . 217 CYS HB2 . 18874 1 189 . 1 1 31 31 CYS HB3 H 1 3.478 0.01 . 2 . . . . 217 CYS HB3 . 18874 1 190 . 1 1 31 31 CYS N N 15 124.858 0.1 . 1 . . . . 217 CYS N . 18874 1 191 . 1 1 32 32 SER H H 1 8.522 0.01 . 1 . . . . 218 SER HN . 18874 1 192 . 1 1 32 32 SER HA H 1 4.471 0.01 . 1 . . . . 218 SER HA . 18874 1 193 . 1 1 32 32 SER HB2 H 1 3.964 0.01 . 2 . . . . 218 SER HB2 . 18874 1 194 . 1 1 32 32 SER HB3 H 1 4.037 0.01 . 2 . . . . 218 SER HB3 . 18874 1 195 . 1 1 32 32 SER N N 15 122.698 0.1 . 1 . . . . 218 SER N . 18874 1 196 . 1 1 33 33 ILE H H 1 8.481 0.01 . 1 . . . . 219 ILE HN . 18874 1 197 . 1 1 33 33 ILE HA H 1 4.137 0.01 . 1 . . . . 219 ILE HA . 18874 1 198 . 1 1 33 33 ILE HB H 1 1.755 0.01 . 1 . . . . 219 ILE HB . 18874 1 199 . 1 1 33 33 ILE HG12 H 1 1.056 0.01 . 2 . . . . 219 ILE HG12 . 18874 1 200 . 1 1 33 33 ILE HG13 H 1 1.655 0.01 . 2 . . . . 219 ILE HG13 . 18874 1 201 . 1 1 33 33 ILE HG21 H 1 0.253 0.01 . 1 . . . . 219 ILE HG21 . 18874 1 202 . 1 1 33 33 ILE HG22 H 1 0.253 0.01 . 1 . . . . 219 ILE HG21 . 18874 1 203 . 1 1 33 33 ILE HG23 H 1 0.253 0.01 . 1 . . . . 219 ILE HG21 . 18874 1 204 . 1 1 33 33 ILE HD11 H 1 0.920 0.01 . 1 . . . . 219 ILE HD11 . 18874 1 205 . 1 1 33 33 ILE HD12 H 1 0.920 0.01 . 1 . . . . 219 ILE HD11 . 18874 1 206 . 1 1 33 33 ILE HD13 H 1 0.920 0.01 . 1 . . . . 219 ILE HD11 . 18874 1 207 . 1 1 33 33 ILE N N 15 126.301 0.1 . 1 . . . . 219 ILE N . 18874 1 208 . 1 1 34 34 GLU H H 1 9.427 0.01 . 1 . . . . 220 GLU HN . 18874 1 209 . 1 1 34 34 GLU HA H 1 3.794 0.01 . 1 . . . . 220 GLU HA . 18874 1 210 . 1 1 34 34 GLU HB2 H 1 1.687 0.01 . 2 . . . . 220 GLU HB2 . 18874 1 211 . 1 1 34 34 GLU HB3 H 1 1.905 0.01 . 2 . . . . 220 GLU HB3 . 18874 1 212 . 1 1 34 34 GLU HG2 H 1 2.002 0.01 . 2 . . . . 220 GLU HG2 . 18874 1 213 . 1 1 34 34 GLU HG3 H 1 2.377 0.01 . 2 . . . . 220 GLU HG3 . 18874 1 214 . 1 1 34 34 GLU N N 15 120.340 0.1 . 1 . . . . 220 GLU N . 18874 1 215 . 1 1 35 35 TRP H H 1 8.015 0.01 . 1 . . . . 221 TRP HN . 18874 1 216 . 1 1 35 35 TRP HA H 1 5.347 0.01 . 1 . . . . 221 TRP HA . 18874 1 217 . 1 1 35 35 TRP HB2 H 1 2.512 0.01 . 2 . . . . 221 TRP HB2 . 18874 1 218 . 1 1 35 35 TRP HB3 H 1 2.656 0.01 . 2 . . . . 221 TRP HB3 . 18874 1 219 . 1 1 35 35 TRP HD1 H 1 6.975 0.01 . 1 . . . . 221 TRP HD1 . 18874 1 220 . 1 1 35 35 TRP HE1 H 1 9.937 0.01 . 1 . . . . 221 TRP HE1 . 18874 1 221 . 1 1 35 35 TRP HE3 H 1 7.028 0.01 . 1 . . . . 221 TRP HE3 . 18874 1 222 . 1 1 35 35 TRP HZ2 H 1 7.414 0.01 . 1 . . . . 221 TRP HZ2 . 18874 1 223 . 1 1 35 35 TRP HZ3 H 1 6.868 0.01 . 1 . . . . 221 TRP HZ3 . 18874 1 224 . 1 1 35 35 TRP HH2 H 1 7.149 0.01 . 1 . . . . 221 TRP HH2 . 18874 1 225 . 1 1 35 35 TRP N N 15 120.904 0.1 . 1 . . . . 221 TRP N . 18874 1 226 . 1 1 35 35 TRP NE1 N 15 128.677 0.01 . 1 . . . . 221 TRP NE1 . 18874 1 227 . 1 1 36 36 PHE H H 1 9.238 0.01 . 1 . . . . 222 PHE HN . 18874 1 228 . 1 1 36 36 PHE HA H 1 4.887 0.01 . 1 . . . . 222 PHE HA . 18874 1 229 . 1 1 36 36 PHE HB2 H 1 2.798 0.01 . 2 . . . . 222 PHE HB2 . 18874 1 230 . 1 1 36 36 PHE HB3 H 1 3.219 0.01 . 2 . . . . 222 PHE HB3 . 18874 1 231 . 1 1 36 36 PHE HD1 H 1 7.662 0.01 . 3 . . . . 222 PHE HD1 . 18874 1 232 . 1 1 36 36 PHE HE1 H 1 7.303 0.01 . 3 . . . . 222 PHE HE1 . 18874 1 233 . 1 1 36 36 PHE HZ H 1 7.924 0.01 . 1 . . . . 222 PHE HZ . 18874 1 234 . 1 1 36 36 PHE N N 15 117.478 0.1 . 1 . . . . 222 PHE N . 18874 1 235 . 1 1 37 37 HIS H H 1 9.446 0.01 . 1 . . . . 223 HIS HN . 18874 1 236 . 1 1 37 37 HIS HA H 1 4.982 0.01 . 1 . . . . 223 HIS HA . 18874 1 237 . 1 1 37 37 HIS HB2 H 1 3.655 0.01 . 2 . . . . 223 HIS HB2 . 18874 1 238 . 1 1 37 37 HIS HB3 H 1 4.021 0.01 . 2 . . . . 223 HIS HB3 . 18874 1 239 . 1 1 37 37 HIS HD2 H 1 6.856 0.01 . 1 . . . . 223 HIS HD2 . 18874 1 240 . 1 1 37 37 HIS N N 15 122.612 0.1 . 1 . . . . 223 HIS N . 18874 1 241 . 1 1 38 38 PHE H H 1 8.443 0.01 . 1 . . . . 224 PHE HN . 18874 1 242 . 1 1 38 38 PHE HA H 1 3.940 0.01 . 1 . . . . 224 PHE HA . 18874 1 243 . 1 1 38 38 PHE HB2 H 1 3.105 0.01 . 2 . . . . 224 PHE HB2 . 18874 1 244 . 1 1 38 38 PHE HB3 H 1 3.338 0.01 . 2 . . . . 224 PHE HB3 . 18874 1 245 . 1 1 38 38 PHE HD1 H 1 6.640 0.01 . 3 . . . . 224 PHE HD1 . 18874 1 246 . 1 1 38 38 PHE HE1 H 1 6.878 0.01 . 3 . . . . 224 PHE HE1 . 18874 1 247 . 1 1 38 38 PHE N N 15 124.244 0.1 . 1 . . . . 224 PHE N . 18874 1 248 . 1 1 39 39 ALA H H 1 9.091 0.01 . 1 . . . . 225 ALA HN . 18874 1 249 . 1 1 39 39 ALA HA H 1 4.315 0.01 . 1 . . . . 225 ALA HA . 18874 1 250 . 1 1 39 39 ALA HB1 H 1 1.611 0.01 . 1 . . . . 225 ALA HB2 . 18874 1 251 . 1 1 39 39 ALA HB2 H 1 1.611 0.01 . 1 . . . . 225 ALA HB2 . 18874 1 252 . 1 1 39 39 ALA HB3 H 1 1.611 0.01 . 1 . . . . 225 ALA HB2 . 18874 1 253 . 1 1 39 39 ALA N N 15 116.489 0.1 . 1 . . . . 225 ALA N . 18874 1 254 . 1 1 40 40 CYS H H 1 7.378 0.01 . 1 . . . . 226 CYS HN . 18874 1 255 . 1 1 40 40 CYS HA H 1 4.255 0.01 . 1 . . . . 226 CYS HA . 18874 1 256 . 1 1 40 40 CYS HB2 H 1 3.269 0.01 . 2 . . . . 226 CYS HB2 . 18874 1 257 . 1 1 40 40 CYS HB3 H 1 3.384 0.01 . 2 . . . . 226 CYS HB3 . 18874 1 258 . 1 1 40 40 CYS N N 15 117.107 0.1 . 1 . . . . 226 CYS N . 18874 1 259 . 1 1 41 41 VAL H H 1 7.368 0.01 . 1 . . . . 227 VAL HN . 18874 1 260 . 1 1 41 41 VAL HA H 1 4.726 0.01 . 1 . . . . 227 VAL HA . 18874 1 261 . 1 1 41 41 VAL HB H 1 2.773 0.01 . 1 . . . . 227 VAL HB . 18874 1 262 . 1 1 41 41 VAL HG11 H 1 0.808 0.01 . 2 . . . . 227 VAL HG11 . 18874 1 263 . 1 1 41 41 VAL HG12 H 1 0.808 0.01 . 2 . . . . 227 VAL HG11 . 18874 1 264 . 1 1 41 41 VAL HG13 H 1 0.808 0.01 . 2 . . . . 227 VAL HG11 . 18874 1 265 . 1 1 41 41 VAL HG21 H 1 0.998 0.01 . 2 . . . . 227 VAL HG21 . 18874 1 266 . 1 1 41 41 VAL HG22 H 1 0.998 0.01 . 2 . . . . 227 VAL HG21 . 18874 1 267 . 1 1 41 41 VAL HG23 H 1 0.998 0.01 . 2 . . . . 227 VAL HG21 . 18874 1 268 . 1 1 41 41 VAL N N 15 106.783 0.1 . 1 . . . . 227 VAL N . 18874 1 269 . 1 1 42 42 GLY H H 1 7.562 0.01 . 1 . . . . 228 GLY HN . 18874 1 270 . 1 1 42 42 GLY HA2 H 1 3.878 0.01 . 2 . . . . 228 GLY HA1 . 18874 1 271 . 1 1 42 42 GLY HA3 H 1 4.012 0.01 . 2 . . . . 228 GLY HA2 . 18874 1 272 . 1 1 42 42 GLY N N 15 108.958 0.1 . 1 . . . . 228 GLY N . 18874 1 273 . 1 1 43 43 LEU H H 1 7.843 0.01 . 1 . . . . 229 LEU HN . 18874 1 274 . 1 1 43 43 LEU HA H 1 4.535 0.01 . 1 . . . . 229 LEU HA . 18874 1 275 . 1 1 43 43 LEU HB2 H 1 0.509 0.01 . 2 . . . . 229 LEU HB2 . 18874 1 276 . 1 1 43 43 LEU HB3 H 1 0.867 0.01 . 2 . . . . 229 LEU HB3 . 18874 1 277 . 1 1 43 43 LEU HG H 1 1.215 0.01 . 1 . . . . 229 LEU HG . 18874 1 278 . 1 1 43 43 LEU HD11 H 1 -0.339 0.01 . 2 . . . . 229 LEU HD11 . 18874 1 279 . 1 1 43 43 LEU HD12 H 1 -0.339 0.01 . 2 . . . . 229 LEU HD11 . 18874 1 280 . 1 1 43 43 LEU HD13 H 1 -0.339 0.01 . 2 . . . . 229 LEU HD11 . 18874 1 281 . 1 1 43 43 LEU HD21 H 1 0.610 0.01 . 2 . . . . 229 LEU HD21 . 18874 1 282 . 1 1 43 43 LEU HD22 H 1 0.610 0.01 . 2 . . . . 229 LEU HD21 . 18874 1 283 . 1 1 43 43 LEU HD23 H 1 0.610 0.01 . 2 . . . . 229 LEU HD21 . 18874 1 284 . 1 1 43 43 LEU N N 15 119.703 0.1 . 1 . . . . 229 LEU N . 18874 1 285 . 1 1 44 44 THR H H 1 8.807 0.01 . 1 . . . . 230 THR HN . 18874 1 286 . 1 1 44 44 THR HA H 1 4.448 0.01 . 1 . . . . 230 THR HA . 18874 1 287 . 1 1 44 44 THR HB H 1 4.284 0.01 . 1 . . . . 230 THR HB . 18874 1 288 . 1 1 44 44 THR HG21 H 1 1.190 0.01 . 1 . . . . 230 THR HG21 . 18874 1 289 . 1 1 44 44 THR HG22 H 1 1.190 0.01 . 1 . . . . 230 THR HG21 . 18874 1 290 . 1 1 44 44 THR HG23 H 1 1.190 0.01 . 1 . . . . 230 THR HG21 . 18874 1 291 . 1 1 44 44 THR N N 15 110.996 0.1 . 1 . . . . 230 THR N . 18874 1 292 . 1 1 45 45 THR H H 1 7.451 0.01 . 1 . . . . 231 THR HN . 18874 1 293 . 1 1 45 45 THR HA H 1 4.560 0.01 . 1 . . . . 231 THR HA . 18874 1 294 . 1 1 45 45 THR HB H 1 4.049 0.01 . 1 . . . . 231 THR HB . 18874 1 295 . 1 1 45 45 THR HG21 H 1 1.107 0.01 . 1 . . . . 231 THR HG21 . 18874 1 296 . 1 1 45 45 THR HG22 H 1 1.107 0.01 . 1 . . . . 231 THR HG21 . 18874 1 297 . 1 1 45 45 THR HG23 H 1 1.107 0.01 . 1 . . . . 231 THR HG21 . 18874 1 298 . 1 1 45 45 THR N N 15 115.038 0.1 . 1 . . . . 231 THR N . 18874 1 299 . 1 1 46 46 LYS H H 1 8.689 0.01 . 1 . . . . 232 LYS HN . 18874 1 300 . 1 1 46 46 LYS HA H 1 4.010 0.01 . 1 . . . . 232 LYS HA . 18874 1 301 . 1 1 46 46 LYS HB2 H 1 1.864 0.01 . 2 . . . . 232 LYS HB2 . 18874 1 302 . 1 1 46 46 LYS HB3 H 1 1.919 0.01 . 2 . . . . 232 LYS HB3 . 18874 1 303 . 1 1 46 46 LYS HG2 H 1 1.457 0.01 . 2 . . . . 232 LYS HG2 . 18874 1 304 . 1 1 46 46 LYS HG3 H 1 1.643 0.01 . 2 . . . . 232 LYS HG3 . 18874 1 305 . 1 1 46 46 LYS HZ1 H 1 6.892 0.01 . 4 . . . . 232 LYS HZ1 . 18874 1 306 . 1 1 46 46 LYS HZ2 H 1 7.610 0.01 . 4 . . . . 232 LYS HZ2 . 18874 1 307 . 1 1 46 46 LYS HZ3 H 1 7.610 0.01 . 4 . . . . 232 LYS HZ2 . 18874 1 308 . 1 1 46 46 LYS N N 15 126.250 0.1 . 1 . . . . 232 LYS N . 18874 1 309 . 1 1 47 47 PRO HA H 1 4.403 0.01 . 1 . . . . 233 PRO HA . 18874 1 310 . 1 1 47 47 PRO HB2 H 1 1.928 0.01 . 2 . . . . 233 PRO HB2 . 18874 1 311 . 1 1 47 47 PRO HB3 H 1 2.306 0.01 . 2 . . . . 233 PRO HB3 . 18874 1 312 . 1 1 47 47 PRO HG2 H 1 1.735 0.01 . 2 . . . . 233 PRO HG2 . 18874 1 313 . 1 1 47 47 PRO HG3 H 1 1.810 0.01 . 2 . . . . 233 PRO HG3 . 18874 1 314 . 1 1 47 47 PRO HD2 H 1 3.349 0.01 . 2 . . . . 233 PRO HD2 . 18874 1 315 . 1 1 47 47 PRO HD3 H 1 3.548 0.01 . 2 . . . . 233 PRO HD3 . 18874 1 316 . 1 1 48 48 ARG H H 1 8.578 0.01 . 1 . . . . 234 ARG HN . 18874 1 317 . 1 1 48 48 ARG HA H 1 4.326 0.01 . 1 . . . . 234 ARG HA . 18874 1 318 . 1 1 48 48 ARG HB2 H 1 1.746 0.01 . 2 . . . . 234 ARG HB2 . 18874 1 319 . 1 1 48 48 ARG HB3 H 1 1.858 0.01 . 2 . . . . 234 ARG HB3 . 18874 1 320 . 1 1 48 48 ARG HG2 H 1 1.650 0.01 . 2 . . . . 234 ARG HG2 . 18874 1 321 . 1 1 48 48 ARG HG3 H 1 1.743 0.01 . 2 . . . . 234 ARG HG3 . 18874 1 322 . 1 1 48 48 ARG HD2 H 1 3.216 0.01 . 2 . . . . 234 ARG HD2 . 18874 1 323 . 1 1 48 48 ARG N N 15 121.325 0.1 . 1 . . . . 234 ARG N . 18874 1 324 . 1 1 49 49 GLY H H 1 8.095 0.01 . 1 . . . . 235 GLY HN . 18874 1 325 . 1 1 49 49 GLY HA2 H 1 3.943 0.01 . 2 . . . . 235 GLY HA1 . 18874 1 326 . 1 1 49 49 GLY HA3 H 1 4.033 0.01 . 2 . . . . 235 GLY HA2 . 18874 1 327 . 1 1 49 49 GLY N N 15 110.765 0.1 . 1 . . . . 235 GLY N . 18874 1 328 . 1 1 50 50 LYS H H 1 8.172 0.01 . 1 . . . . 236 LYS HN . 18874 1 329 . 1 1 50 50 LYS HA H 1 4.254 0.01 . 1 . . . . 236 LYS HA . 18874 1 330 . 1 1 50 50 LYS HB2 H 1 1.651 0.01 . 2 . . . . 236 LYS HB2 . 18874 1 331 . 1 1 50 50 LYS HG2 H 1 1.293 0.01 . 2 . . . . 236 LYS HG2 . 18874 1 332 . 1 1 50 50 LYS HD2 H 1 1.532 0.01 . 2 . . . . 236 LYS HD2 . 18874 1 333 . 1 1 50 50 LYS HE2 H 1 3.009 0.01 . 2 . . . . 236 LYS HE2 . 18874 1 334 . 1 1 50 50 LYS HZ1 H 1 6.989 0.01 . 4 . . . . 236 LYS HZ1 . 18874 1 335 . 1 1 50 50 LYS HZ2 H 1 7.116 0.01 . 4 . . . . 236 LYS HZ2 . 18874 1 336 . 1 1 50 50 LYS HZ3 H 1 7.116 0.01 . 4 . . . . 236 LYS HZ2 . 18874 1 337 . 1 1 50 50 LYS N N 15 120.198 0.1 . 1 . . . . 236 LYS N . 18874 1 338 . 1 1 51 51 TRP H H 1 9.523 0.01 . 1 . . . . 237 TRP HN . 18874 1 339 . 1 1 51 51 TRP HA H 1 4.299 0.01 . 1 . . . . 237 TRP HA . 18874 1 340 . 1 1 51 51 TRP HB2 H 1 2.678 0.01 . 2 . . . . 237 TRP HB2 . 18874 1 341 . 1 1 51 51 TRP HB3 H 1 3.164 0.01 . 2 . . . . 237 TRP HB3 . 18874 1 342 . 1 1 51 51 TRP HD1 H 1 7.175 0.01 . 1 . . . . 237 TRP HD1 . 18874 1 343 . 1 1 51 51 TRP HE1 H 1 9.912 0.01 . 1 . . . . 237 TRP HE1 . 18874 1 344 . 1 1 51 51 TRP HE3 H 1 7.427 0.01 . 1 . . . . 237 TRP HE3 . 18874 1 345 . 1 1 51 51 TRP HZ2 H 1 6.918 0.01 . 1 . . . . 237 TRP HZ2 . 18874 1 346 . 1 1 51 51 TRP HZ3 H 1 6.375 0.01 . 1 . . . . 237 TRP HZ3 . 18874 1 347 . 1 1 51 51 TRP HH2 H 1 5.827 0.01 . 1 . . . . 237 TRP HH2 . 18874 1 348 . 1 1 51 51 TRP N N 15 126.104 0.1 . 1 . . . . 237 TRP N . 18874 1 349 . 1 1 51 51 TRP NE1 N 15 128.570 0.01 . 1 . . . . 237 TRP NE1 . 18874 1 350 . 1 1 52 52 PHE H H 1 6.855 0.01 . 1 . . . . 238 PHE HN . 18874 1 351 . 1 1 52 52 PHE HA H 1 5.103 0.01 . 1 . . . . 238 PHE HA . 18874 1 352 . 1 1 52 52 PHE HB2 H 1 2.279 0.01 . 2 . . . . 238 PHE HB2 . 18874 1 353 . 1 1 52 52 PHE HB3 H 1 2.463 0.01 . 2 . . . . 238 PHE HB3 . 18874 1 354 . 1 1 52 52 PHE HD1 H 1 7.018 0.01 . 3 . . . . 238 PHE HD1 . 18874 1 355 . 1 1 52 52 PHE N N 15 123.597 0.1 . 1 . . . . 238 PHE N . 18874 1 356 . 1 1 53 53 CYS H H 1 9.029 0.01 . 1 . . . . 239 CYS HN . 18874 1 357 . 1 1 53 53 CYS HA H 1 3.570 0.01 . 1 . . . . 239 CYS HA . 18874 1 358 . 1 1 53 53 CYS HB2 H 1 1.929 0.01 . 2 . . . . 239 CYS HB2 . 18874 1 359 . 1 1 53 53 CYS HB3 H 1 2.290 0.01 . 2 . . . . 239 CYS HB3 . 18874 1 360 . 1 1 53 53 CYS N N 15 126.429 0.1 . 1 . . . . 239 CYS N . 18874 1 361 . 1 1 54 54 PRO HA H 1 4.133 0.01 . 1 . . . . 240 PRO HA . 18874 1 362 . 1 1 54 54 PRO HB2 H 1 1.904 0.01 . 2 . . . . 240 PRO HB2 . 18874 1 363 . 1 1 54 54 PRO HB3 H 1 2.443 0.01 . 2 . . . . 240 PRO HB3 . 18874 1 364 . 1 1 54 54 PRO HG2 H 1 2.102 0.01 . 2 . . . . 240 PRO HG2 . 18874 1 365 . 1 1 54 54 PRO HG3 H 1 2.151 0.01 . 2 . . . . 240 PRO HG3 . 18874 1 366 . 1 1 54 54 PRO HD2 H 1 3.362 0.01 . 2 . . . . 240 PRO HD2 . 18874 1 367 . 1 1 54 54 PRO HD3 H 1 3.522 0.01 . 2 . . . . 240 PRO HD3 . 18874 1 368 . 1 1 55 55 ARG H H 1 8.162 0.01 . 1 . . . . 241 ARG HN . 18874 1 369 . 1 1 55 55 ARG HA H 1 4.195 0.01 . 1 . . . . 241 ARG HA . 18874 1 370 . 1 1 55 55 ARG HB2 H 1 2.043 0.01 . 2 . . . . 241 ARG HB2 . 18874 1 371 . 1 1 55 55 ARG HG2 H 1 1.670 0.01 . 2 . . . . 241 ARG HG2 . 18874 1 372 . 1 1 55 55 ARG HG3 H 1 1.748 0.01 . 2 . . . . 241 ARG HG3 . 18874 1 373 . 1 1 55 55 ARG HD2 H 1 3.260 0.01 . 2 . . . . 241 ARG HD2 . 18874 1 374 . 1 1 55 55 ARG N N 15 118.376 0.1 . 1 . . . . 241 ARG N . 18874 1 375 . 1 1 56 56 CYS H H 1 8.895 0.01 . 1 . . . . 242 CYS HN . 18874 1 376 . 1 1 56 56 CYS HA H 1 3.853 0.01 . 1 . . . . 242 CYS HA . 18874 1 377 . 1 1 56 56 CYS HB2 H 1 2.632 0.01 . 2 . . . . 242 CYS HB2 . 18874 1 378 . 1 1 56 56 CYS HB3 H 1 3.026 0.01 . 2 . . . . 242 CYS HB3 . 18874 1 379 . 1 1 56 56 CYS N N 15 125.969 0.1 . 1 . . . . 242 CYS N . 18874 1 380 . 1 1 57 57 SER H H 1 8.523 0.01 . 1 . . . . 243 SER HN . 18874 1 381 . 1 1 57 57 SER HA H 1 3.838 0.01 . 1 . . . . 243 SER HA . 18874 1 382 . 1 1 57 57 SER HB2 H 1 3.628 0.01 . 2 . . . . 243 SER HB2 . 18874 1 383 . 1 1 57 57 SER HB3 H 1 3.771 0.01 . 2 . . . . 243 SER HB3 . 18874 1 384 . 1 1 57 57 SER N N 15 113.360 0.1 . 1 . . . . 243 SER N . 18874 1 385 . 1 1 58 58 GLN H H 1 7.319 0.01 . 1 . . . . 244 GLN HN . 18874 1 386 . 1 1 58 58 GLN HA H 1 4.094 0.01 . 1 . . . . 244 GLN HA . 18874 1 387 . 1 1 58 58 GLN HB2 H 1 2.111 0.01 . 2 . . . . 244 GLN HB2 . 18874 1 388 . 1 1 58 58 GLN HB3 H 1 2.135 0.01 . 2 . . . . 244 GLN HB3 . 18874 1 389 . 1 1 58 58 GLN HG2 H 1 2.396 0.01 . 2 . . . . 244 GLN HG2 . 18874 1 390 . 1 1 58 58 GLN HG3 H 1 2.419 0.01 . 2 . . . . 244 GLN HG3 . 18874 1 391 . 1 1 58 58 GLN HE21 H 1 6.861 0.01 . 2 . . . . 244 GLN HE21 . 18874 1 392 . 1 1 58 58 GLN HE22 H 1 7.483 0.01 . 2 . . . . 244 GLN HE22 . 18874 1 393 . 1 1 58 58 GLN N N 15 119.601 0.1 . 1 . . . . 244 GLN N . 18874 1 394 . 1 1 58 58 GLN NE2 N 15 112.357 0.1 . 1 . . . . 244 GLN NE2 . 18874 1 395 . 1 1 59 59 GLU H H 1 7.938 0.01 . 1 . . . . 245 GLU HN . 18874 1 396 . 1 1 59 59 GLU HA H 1 4.080 0.01 . 1 . . . . 245 GLU HA . 18874 1 397 . 1 1 59 59 GLU HB2 H 1 1.939 0.01 . 2 . . . . 245 GLU HB2 . 18874 1 398 . 1 1 59 59 GLU HB3 H 1 2.028 0.01 . 2 . . . . 245 GLU HB3 . 18874 1 399 . 1 1 59 59 GLU HG2 H 1 2.259 0.01 . 2 . . . . 245 GLU HG2 . 18874 1 400 . 1 1 59 59 GLU HG3 H 1 2.297 0.01 . 2 . . . . 245 GLU HG3 . 18874 1 401 . 1 1 59 59 GLU N N 15 119.379 0.1 . 1 . . . . 245 GLU N . 18874 1 402 . 1 1 60 60 ARG H H 1 7.893 0.01 . 1 . . . . 246 ARG HN . 18874 1 403 . 1 1 60 60 ARG HA H 1 4.120 0.01 . 1 . . . . 246 ARG HA . 18874 1 404 . 1 1 60 60 ARG HB2 H 1 1.569 0.01 . 2 . . . . 246 ARG HB2 . 18874 1 405 . 1 1 60 60 ARG HB3 H 1 1.745 0.01 . 2 . . . . 246 ARG HB3 . 18874 1 406 . 1 1 60 60 ARG HG2 H 1 1.481 0.01 . 2 . . . . 246 ARG HG2 . 18874 1 407 . 1 1 60 60 ARG HD2 H 1 2.676 0.01 . 2 . . . . 246 ARG HD2 . 18874 1 408 . 1 1 60 60 ARG HD3 H 1 2.775 0.01 . 2 . . . . 246 ARG HD3 . 18874 1 409 . 1 1 60 60 ARG N N 15 118.890 0.1 . 1 . . . . 246 ARG N . 18874 1 410 . 1 1 61 61 LYS H H 1 7.684 0.01 . 1 . . . . 247 LYS HN . 18874 1 411 . 1 1 61 61 LYS HA H 1 4.196 0.01 . 1 . . . . 247 LYS HA . 18874 1 412 . 1 1 61 61 LYS HB2 H 1 1.743 0.01 . 2 . . . . 247 LYS HB2 . 18874 1 413 . 1 1 61 61 LYS HB3 H 1 1.822 0.01 . 2 . . . . 247 LYS HB3 . 18874 1 414 . 1 1 61 61 LYS HG2 H 1 1.379 0.01 . 2 . . . . 247 LYS HG2 . 18874 1 415 . 1 1 61 61 LYS HG3 H 1 1.451 0.01 . 2 . . . . 247 LYS HG3 . 18874 1 416 . 1 1 61 61 LYS N N 15 120.108 0.1 . 1 . . . . 247 LYS N . 18874 1 417 . 1 1 62 62 LYS H H 1 7.946 0.01 . 1 . . . . 248 LYS HN . 18874 1 418 . 1 1 62 62 LYS HA H 1 4.252 0.01 . 1 . . . . 248 LYS HA . 18874 1 419 . 1 1 62 62 LYS HB2 H 1 1.723 0.01 . 2 . . . . 248 LYS HB2 . 18874 1 420 . 1 1 62 62 LYS HB3 H 1 1.833 0.01 . 2 . . . . 248 LYS HB3 . 18874 1 421 . 1 1 62 62 LYS HG2 H 1 1.396 0.01 . 2 . . . . 248 LYS HG2 . 18874 1 422 . 1 1 62 62 LYS HD2 H 1 1.637 0.01 . 2 . . . . 248 LYS HD2 . 18874 1 423 . 1 1 62 62 LYS N N 15 121.859 0.1 . 1 . . . . 248 LYS N . 18874 1 424 . 1 1 63 63 LYS H H 1 7.772 0.01 . 1 . . . . 249 LYS HN . 18874 1 425 . 1 1 63 63 LYS HA H 1 4.123 0.01 . 1 . . . . 249 LYS HA . 18874 1 426 . 1 1 63 63 LYS HB2 H 1 1.686 0.01 . 2 . . . . 249 LYS HB2 . 18874 1 427 . 1 1 63 63 LYS HB3 H 1 1.801 0.01 . 2 . . . . 249 LYS HB3 . 18874 1 428 . 1 1 63 63 LYS HG2 H 1 1.372 0.01 . 2 . . . . 249 LYS HG2 . 18874 1 429 . 1 1 63 63 LYS N N 15 127.541 0.1 . 1 . . . . 249 LYS N . 18874 1 stop_ save_