################################### # 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 16867 _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 . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16867 1 2 '3D C(CO)NH' . . . 16867 1 3 '3D HNCACB' . . . 16867 1 4 '3D HN(CO)CA' . . . 16867 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 1 $SPARKY . . 16867 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 4 4 MET H H 1 8.080 . . 1 . . . . 1 M HN . 16867 1 2 . 1 1 4 4 MET N N 15 119.351 . . 1 . . . . 1 M N . 16867 1 3 . 1 1 5 5 ALA H H 1 8.234 . . 1 . . . . 2 A HN . 16867 1 4 . 1 1 5 5 ALA N N 15 122.443 . . 1 . . . . 2 A N . 16867 1 5 . 1 1 6 6 ILE H H 1 6.972 . . 1 . . . . 3 I HN . 16867 1 6 . 1 1 6 6 ILE N N 15 116.487 . . 1 . . . . 3 I N . 16867 1 7 . 1 1 7 7 LEU H H 1 8.362 . . 1 . . . . 4 L HN . 16867 1 8 . 1 1 7 7 LEU N N 15 122.828 . . 1 . . . . 4 L N . 16867 1 9 . 1 1 8 8 PHE H H 1 7.086 . . 1 . . . . 5 F HN . 16867 1 10 . 1 1 8 8 PHE N N 15 113.878 . . 1 . . . . 5 F N . 16867 1 11 . 1 1 9 9 ALA H H 1 7.919 . . 1 . . . . 6 A HN . 16867 1 12 . 1 1 9 9 ALA N N 15 126.016 . . 1 . . . . 6 A N . 16867 1 13 . 1 1 10 10 VAL H H 1 8.879 . . 1 . . . . 7 V HN . 16867 1 14 . 1 1 10 10 VAL N N 15 115.427 . . 1 . . . . 7 V N . 16867 1 15 . 1 1 11 11 VAL H H 1 8.282 . . 1 . . . . 8 V HN . 16867 1 16 . 1 1 11 11 VAL N N 15 122.534 . . 1 . . . . 8 V N . 16867 1 17 . 1 1 12 12 ALA H H 1 9.457 . . 1 . . . . 9 A HN . 16867 1 18 . 1 1 12 12 ALA N N 15 130.066 . . 1 . . . . 9 A N . 16867 1 19 . 1 1 13 13 ARG H H 1 8.801 . . 1 . . . . 10 R HN . 16867 1 20 . 1 1 13 13 ARG N N 15 121.007 . . 1 . . . . 10 R N . 16867 1 21 . 1 1 14 14 GLY H H 1 8.376 . . 1 . . . . 11 G HN . 16867 1 22 . 1 1 14 14 GLY N N 15 118.045 . . 1 . . . . 11 G N . 16867 1 23 . 1 1 15 15 THR H H 1 8.223 . . 1 . . . . 12 T HN . 16867 1 24 . 1 1 15 15 THR N N 15 113.656 . . 1 . . . . 12 T N . 16867 1 25 . 1 1 16 16 THR H H 1 8.484 . . 1 . . . . 13 T HN . 16867 1 26 . 1 1 16 16 THR N N 15 120.165 . . 1 . . . . 13 T N . 16867 1 27 . 1 1 17 17 ILE H H 1 8.610 . . 1 . . . . 14 I HN . 16867 1 28 . 1 1 17 17 ILE N N 15 129.094 . . 1 . . . . 14 I N . 16867 1 29 . 1 1 18 18 LEU H H 1 9.172 . . 1 . . . . 15 L HN . 16867 1 30 . 1 1 18 18 LEU N N 15 125.182 . . 1 . . . . 15 L N . 16867 1 31 . 1 1 19 19 ALA H H 1 7.637 . . 1 . . . . 16 A HN . 16867 1 32 . 1 1 19 19 ALA N N 15 115.944 . . 1 . . . . 16 A N . 16867 1 33 . 1 1 20 20 LYS H H 1 8.963 . . 1 . . . . 17 K HN . 16867 1 34 . 1 1 20 20 LYS N N 15 115.623 . . 1 . . . . 17 K N . 16867 1 35 . 1 1 21 21 HIS H H 1 8.269 . . 1 . . . . 18 H HN . 16867 1 36 . 1 1 21 21 HIS N N 15 115.445 . . 1 . . . . 18 H N . 16867 1 37 . 1 1 22 22 ALA H H 1 7.557 . . 1 . . . . 19 A HN . 16867 1 38 . 1 1 22 22 ALA N N 15 126.511 . . 1 . . . . 19 A N . 16867 1 39 . 1 1 23 23 TRP HE1 H 1 10.238 . . 1 . . . . 20 W HE1 . 16867 1 40 . 1 1 23 23 TRP NE1 N 15 128.883 . . 1 . . . . 20 W NE1 . 16867 1 41 . 1 1 25 25 GLY H H 1 7.850 . . 1 . . . . 22 G HN . 16867 1 42 . 1 1 25 25 GLY N N 15 105.110 . . 1 . . . . 22 G N . 16867 1 43 . 1 1 26 26 GLY H H 1 8.083 . . 1 . . . . 23 G HN . 16867 1 44 . 1 1 26 26 GLY N N 15 107.663 . . 1 . . . . 23 G N . 16867 1 45 . 1 1 27 27 ASN H H 1 8.078 . . 1 . . . . 24 N HN . 16867 1 46 . 1 1 27 27 ASN N N 15 120.196 . . 1 . . . . 24 N N . 16867 1 47 . 1 1 28 28 PHE H H 1 8.048 . . 1 . . . . 25 F HN . 16867 1 48 . 1 1 28 28 PHE N N 15 116.951 . . 1 . . . . 25 F N . 16867 1 49 . 1 1 29 29 LEU H H 1 8.716 . . 1 . . . . 26 L HN . 16867 1 50 . 1 1 29 29 LEU N N 15 120.234 . . 1 . . . . 26 L N . 16867 1 51 . 1 1 30 30 GLU H H 1 8.284 . . 1 . . . . 27 E HN . 16867 1 52 . 1 1 30 30 GLU N N 15 119.408 . . 1 . . . . 27 E N . 16867 1 53 . 1 1 31 31 VAL H H 1 7.203 . . 1 . . . . 28 V HN . 16867 1 54 . 1 1 31 31 VAL N N 15 115.072 . . 1 . . . . 28 V N . 16867 1 55 . 1 1 32 32 THR H H 1 8.278 . . 1 . . . . 29 T HN . 16867 1 56 . 1 1 32 32 THR N N 15 115.991 . . 1 . . . . 29 T N . 16867 1 57 . 1 1 33 33 GLU H H 1 8.601 . . 1 . . . . 30 E HN . 16867 1 58 . 1 1 33 33 GLU N N 15 119.502 . . 1 . . . . 30 E N . 16867 1 59 . 1 1 34 34 GLN H H 1 6.914 . . 1 . . . . 31 Q HN . 16867 1 60 . 1 1 34 34 GLN N N 15 114.106 . . 1 . . . . 31 Q N . 16867 1 61 . 1 1 35 35 ILE H H 1 7.481 . . 1 . . . . 32 I HN . 16867 1 62 . 1 1 35 35 ILE N N 15 118.677 . . 1 . . . . 32 I N . 16867 1 63 . 1 1 36 36 LEU H H 1 8.681 . . 1 . . . . 33 L HN . 16867 1 64 . 1 1 36 36 LEU N N 15 116.194 . . 1 . . . . 33 L N . 16867 1 65 . 1 1 37 37 ALA H H 1 6.959 . . 1 . . . . 34 A HN . 16867 1 66 . 1 1 37 37 ALA N N 15 116.085 . . 1 . . . . 34 A N . 16867 1 67 . 1 1 38 38 LYS H H 1 7.557 . . 1 . . . . 35 K HN . 16867 1 68 . 1 1 38 38 LYS N N 15 114.946 . . 1 . . . . 35 K N . 16867 1 69 . 1 1 39 39 ILE H H 1 6.918 . . 1 . . . . 36 I HN . 16867 1 70 . 1 1 39 39 ILE N N 15 121.431 . . 1 . . . . 36 I N . 16867 1 71 . 1 1 41 41 SER H H 1 8.493 . . 1 . . . . 38 S HN . 16867 1 72 . 1 1 41 41 SER N N 15 113.589 . . 1 . . . . 38 S N . 16867 1 73 . 1 1 42 42 GLU H H 1 7.550 . . 1 . . . . 39 E HN . 16867 1 74 . 1 1 42 42 GLU N N 15 119.037 . . 1 . . . . 39 E N . 16867 1 75 . 1 1 43 43 ASN H H 1 8.930 . . 1 . . . . 40 N HN . 16867 1 76 . 1 1 43 43 ASN N N 15 120.567 . . 1 . . . . 40 N N . 16867 1 77 . 1 1 44 44 ASN H H 1 8.740 . . 1 . . . . 41 N HN . 16867 1 78 . 1 1 44 44 ASN N N 15 118.399 . . 1 . . . . 41 N N . 16867 1 79 . 1 1 45 45 LYS H H 1 7.994 . . 1 . . . . 42 K HN . 16867 1 80 . 1 1 45 45 LYS N N 15 117.567 . . 1 . . . . 42 K N . 16867 1 81 . 1 1 46 46 LEU H H 1 7.922 . . 1 . . . . 43 L HN . 16867 1 82 . 1 1 46 46 LEU N N 15 122.414 . . 1 . . . . 43 L N . 16867 1 83 . 1 1 47 47 THR H H 1 7.696 . . 1 . . . . 44 T HN . 16867 1 84 . 1 1 47 47 THR N N 15 116.012 . . 1 . . . . 44 T N . 16867 1 85 . 1 1 48 48 TYR H H 1 9.816 . . 1 . . . . 45 Y HN . 16867 1 86 . 1 1 48 48 TYR N N 15 123.306 . . 1 . . . . 45 Y N . 16867 1 87 . 1 1 49 49 SER H H 1 8.317 . . 1 . . . . 46 S HN . 16867 1 88 . 1 1 49 49 SER N N 15 117.251 . . 1 . . . . 46 S N . 16867 1 89 . 1 1 50 50 HIS H H 1 8.578 . . 1 . . . . 47 H HN . 16867 1 90 . 1 1 50 50 HIS N N 15 121.585 . . 1 . . . . 47 H N . 16867 1 91 . 1 1 51 51 GLY H H 1 8.823 . . 1 . . . . 48 G HN . 16867 1 92 . 1 1 51 51 GLY N N 15 116.464 . . 1 . . . . 48 G N . 16867 1 93 . 1 1 52 52 ASN H H 1 8.688 . . 1 . . . . 49 N HN . 16867 1 94 . 1 1 52 52 ASN N N 15 123.635 . . 1 . . . . 49 N N . 16867 1 95 . 1 1 53 53 TYR H H 1 8.099 . . 1 . . . . 50 Y HN . 16867 1 96 . 1 1 53 53 TYR N N 15 115.517 . . 1 . . . . 50 Y N . 16867 1 97 . 1 1 54 54 LEU H H 1 8.724 . . 1 . . . . 51 L HN . 16867 1 98 . 1 1 54 54 LEU N N 15 118.936 . . 1 . . . . 51 L N . 16867 1 99 . 1 1 55 55 PHE H H 1 9.334 . . 1 . . . . 52 F HN . 16867 1 100 . 1 1 55 55 PHE N N 15 119.674 . . 1 . . . . 52 F N . 16867 1 101 . 1 1 56 56 HIS H H 1 9.043 . . 1 . . . . 53 H HN . 16867 1 102 . 1 1 56 56 HIS N N 15 122.353 . . 1 . . . . 53 H N . 16867 1 103 . 1 1 57 57 TYR H H 1 9.353 . . 1 . . . . 54 Y HN . 16867 1 104 . 1 1 57 57 TYR N N 15 116.890 . . 1 . . . . 54 Y N . 16867 1 105 . 1 1 58 58 ILE H H 1 9.040 . . 1 . . . . 55 I HN . 16867 1 106 . 1 1 58 58 ILE N N 15 115.956 . . 1 . . . . 55 I N . 16867 1 107 . 1 1 59 59 CYS H H 1 9.504 . . 1 . . . . 56 C HN . 16867 1 108 . 1 1 59 59 CYS N N 15 126.941 . . 1 . . . . 56 C N . 16867 1 109 . 1 1 60 60 GLN H H 1 9.737 . . 1 . . . . 57 Q HN . 16867 1 110 . 1 1 60 60 GLN N N 15 129.383 . . 1 . . . . 57 Q N . 16867 1 111 . 1 1 61 61 ASP H H 1 9.384 . . 1 . . . . 58 D HN . 16867 1 112 . 1 1 61 61 ASP N N 15 130.430 . . 1 . . . . 58 D N . 16867 1 113 . 1 1 62 62 ARG H H 1 8.952 . . 1 . . . . 59 R HN . 16867 1 114 . 1 1 62 62 ARG N N 15 105.555 . . 1 . . . . 59 R N . 16867 1 115 . 1 1 63 63 ILE H H 1 7.775 . . 1 . . . . 60 I HN . 16867 1 116 . 1 1 63 63 ILE N N 15 121.112 . . 1 . . . . 60 I N . 16867 1 117 . 1 1 64 64 VAL H H 1 9.255 . . 1 . . . . 61 V HN . 16867 1 118 . 1 1 64 64 VAL N N 15 125.560 . . 1 . . . . 61 V N . 16867 1 119 . 1 1 65 65 TYR H H 1 9.189 . . 1 . . . . 62 Y HN . 16867 1 120 . 1 1 65 65 TYR N N 15 125.882 . . 1 . . . . 62 Y N . 16867 1 121 . 1 1 66 66 LEU H H 1 8.861 . . 1 . . . . 63 L HN . 16867 1 122 . 1 1 66 66 LEU N N 15 124.869 . . 1 . . . . 63 L N . 16867 1 123 . 1 1 67 67 CYS H H 1 9.772 . . 1 . . . . 64 C HN . 16867 1 124 . 1 1 67 67 CYS N N 15 117.172 . . 1 . . . . 64 C N . 16867 1 125 . 1 1 68 68 ILE H H 1 8.089 . . 1 . . . . 65 I HN . 16867 1 126 . 1 1 68 68 ILE N N 15 118.678 . . 1 . . . . 65 I N . 16867 1 127 . 1 1 69 69 THR H H 1 9.472 . . 1 . . . . 66 T HN . 16867 1 128 . 1 1 69 69 THR N N 15 115.723 . . 1 . . . . 66 T N . 16867 1 129 . 1 1 70 70 ASP H H 1 8.921 . . 1 . . . . 67 D HN . 16867 1 130 . 1 1 70 70 ASP N N 15 118.506 . . 1 . . . . 67 D N . 16867 1 131 . 1 1 71 71 ASP H H 1 8.352 . . 1 . . . . 68 D HN . 16867 1 132 . 1 1 71 71 ASP N N 15 121.181 . . 1 . . . . 68 D N . 16867 1 133 . 1 1 72 72 ASP H H 1 8.040 . . 1 . . . . 69 D HN . 16867 1 134 . 1 1 72 72 ASP N N 15 118.247 . . 1 . . . . 69 D N . 16867 1 135 . 1 1 73 73 PHE H H 1 7.315 . . 1 . . . . 70 F HN . 16867 1 136 . 1 1 73 73 PHE N N 15 122.078 . . 1 . . . . 70 F N . 16867 1 137 . 1 1 74 74 GLU H H 1 8.495 . . 1 . . . . 71 E HN . 16867 1 138 . 1 1 74 74 GLU N N 15 129.886 . . 1 . . . . 71 E N . 16867 1 139 . 1 1 75 75 ARG H H 1 8.845 . . 1 . . . . 72 R HN . 16867 1 140 . 1 1 75 75 ARG N N 15 125.238 . . 1 . . . . 72 R N . 16867 1 141 . 1 1 76 76 SER H H 1 9.116 . . 1 . . . . 73 S HN . 16867 1 142 . 1 1 76 76 SER N N 15 113.333 . . 1 . . . . 73 S N . 16867 1 143 . 1 1 77 77 ARG H H 1 6.905 . . 1 . . . . 74 R HN . 16867 1 144 . 1 1 77 77 ARG N N 15 120.111 . . 1 . . . . 74 R N . 16867 1 145 . 1 1 78 78 ALA H H 1 7.607 . . 1 . . . . 75 A HN . 16867 1 146 . 1 1 78 78 ALA N N 15 121.961 . . 1 . . . . 75 A N . 16867 1 147 . 1 1 79 79 PHE H H 1 8.223 . . 1 . . . . 76 F HN . 16867 1 148 . 1 1 79 79 PHE N N 15 113.656 . . 1 . . . . 76 F N . 16867 1 149 . 1 1 80 80 ASN H H 1 8.233 . . 1 . . . . 77 N HN . 16867 1 150 . 1 1 80 80 ASN N N 15 119.813 . . 1 . . . . 77 N N . 16867 1 151 . 1 1 81 81 PHE H H 1 7.568 . . 1 . . . . 78 F HN . 16867 1 152 . 1 1 81 81 PHE N N 15 120.045 . . 1 . . . . 78 F N . 16867 1 153 . 1 1 82 82 LEU H H 1 8.062 . . 1 . . . . 79 L HN . 16867 1 154 . 1 1 82 82 LEU N N 15 117.675 . . 1 . . . . 79 L N . 16867 1 155 . 1 1 83 83 ASN H H 1 8.524 . . 1 . . . . 80 N HN . 16867 1 156 . 1 1 83 83 ASN N N 15 116.153 . . 1 . . . . 80 N N . 16867 1 157 . 1 1 84 84 GLU H H 1 7.727 . . 1 . . . . 81 E HN . 16867 1 158 . 1 1 84 84 GLU N N 15 120.274 . . 1 . . . . 81 E N . 16867 1 159 . 1 1 85 85 ILE H H 1 7.955 . . 1 . . . . 82 I HN . 16867 1 160 . 1 1 85 85 ILE N N 15 115.478 . . 1 . . . . 82 I N . 16867 1 161 . 1 1 86 86 LYS H H 1 8.171 . . 1 . . . . 83 K HN . 16867 1 162 . 1 1 86 86 LYS N N 15 122.284 . . 1 . . . . 83 K N . 16867 1 163 . 1 1 87 87 LYS H H 1 7.715 . . 1 . . . . 84 K HN . 16867 1 164 . 1 1 87 87 LYS N N 15 117.788 . . 1 . . . . 84 K N . 16867 1 165 . 1 1 88 88 ARG H H 1 7.878 . . 1 . . . . 85 R HN . 16867 1 166 . 1 1 88 88 ARG N N 15 117.501 . . 1 . . . . 85 R N . 16867 1 167 . 1 1 89 89 PHE H H 1 9.406 . . 1 . . . . 86 F HN . 16867 1 168 . 1 1 89 89 PHE N N 15 122.819 . . 1 . . . . 86 F N . 16867 1 169 . 1 1 90 90 GLN H H 1 9.133 . . 1 . . . . 87 Q HN . 16867 1 170 . 1 1 90 90 GLN N N 15 117.107 . . 1 . . . . 87 Q N . 16867 1 171 . 1 1 91 91 THR H H 1 8.057 . . 1 . . . . 88 T HN . 16867 1 172 . 1 1 91 91 THR N N 15 113.043 . . 1 . . . . 88 T N . 16867 1 173 . 1 1 92 92 THR H H 1 7.715 . . 1 . . . . 89 T HN . 16867 1 174 . 1 1 92 92 THR N N 15 115.301 . . 1 . . . . 89 T N . 16867 1 175 . 1 1 93 93 TYR H H 1 7.737 . . 1 . . . . 90 Y HN . 16867 1 176 . 1 1 93 93 TYR N N 15 114.444 . . 1 . . . . 90 Y N . 16867 1 177 . 1 1 94 94 GLY H H 1 7.846 . . 1 . . . . 91 G HN . 16867 1 178 . 1 1 94 94 GLY N N 15 107.695 . . 1 . . . . 91 G N . 16867 1 179 . 1 1 96 96 ARG H H 1 8.294 . . 1 . . . . 93 R HN . 16867 1 180 . 1 1 96 96 ARG N N 15 121.846 . . 1 . . . . 93 R N . 16867 1 181 . 1 1 97 97 ALA H H 1 7.524 . . 1 . . . . 94 A HN . 16867 1 182 . 1 1 97 97 ALA N N 15 117.084 . . 1 . . . . 94 A N . 16867 1 183 . 1 1 98 98 GLN H H 1 7.766 . . 1 . . . . 95 Q HN . 16867 1 184 . 1 1 98 98 GLN N N 15 110.776 . . 1 . . . . 95 Q N . 16867 1 185 . 1 1 100 100 ALA H H 1 7.063 . . 1 . . . . 97 A HN . 16867 1 186 . 1 1 100 100 ALA N N 15 124.491 . . 1 . . . . 97 A N . 16867 1 187 . 1 1 101 101 LEU H H 1 8.248 . . 1 . . . . 98 L HN . 16867 1 188 . 1 1 101 101 LEU N N 15 121.498 . . 1 . . . . 98 L N . 16867 1 189 . 1 1 108 108 GLU H H 1 8.160 . . 1 . . . . 105 E HN . 16867 1 190 . 1 1 108 108 GLU N N 15 117.660 . . 1 . . . . 105 E N . 16867 1 191 . 1 1 109 109 PHE H H 1 8.977 . . 1 . . . . 106 F HN . 16867 1 192 . 1 1 109 109 PHE N N 15 117.073 . . 1 . . . . 106 F N . 16867 1 193 . 1 1 110 110 SER H H 1 8.696 . . 1 . . . . 107 S HN . 16867 1 194 . 1 1 110 110 SER N N 15 114.892 . . 1 . . . . 107 S N . 16867 1 195 . 1 1 111 111 SER H H 1 7.564 . . 1 . . . . 108 S HN . 16867 1 196 . 1 1 111 111 SER N N 15 113.723 . . 1 . . . . 108 S N . 16867 1 197 . 1 1 112 112 VAL H H 1 6.878 . . 1 . . . . 109 V HN . 16867 1 198 . 1 1 112 112 VAL N N 15 124.876 . . 1 . . . . 109 V N . 16867 1 199 . 1 1 113 113 LEU H H 1 7.586 . . 1 . . . . 110 L HN . 16867 1 200 . 1 1 113 113 LEU N N 15 116.645 . . 1 . . . . 110 L N . 16867 1 201 . 1 1 114 114 ALA H H 1 8.032 . . 1 . . . . 111 A HN . 16867 1 202 . 1 1 114 114 ALA N N 15 117.870 . . 1 . . . . 111 A N . 16867 1 203 . 1 1 115 115 ALA H H 1 7.702 . . 1 . . . . 112 A HN . 16867 1 204 . 1 1 115 115 ALA N N 15 119.195 . . 1 . . . . 112 A N . 16867 1 205 . 1 1 116 116 GLN H H 1 8.596 . . 1 . . . . 113 Q HN . 16867 1 206 . 1 1 116 116 GLN N N 15 115.584 . . 1 . . . . 113 Q N . 16867 1 207 . 1 1 118 118 LYS H H 1 7.610 . . 1 . . . . 115 K HN . 16867 1 208 . 1 1 118 118 LYS N N 15 117.795 . . 1 . . . . 115 K N . 16867 1 209 . 1 1 119 119 HIS H H 1 8.069 . . 1 . . . . 116 H HN . 16867 1 210 . 1 1 119 119 HIS N N 15 116.544 . . 1 . . . . 116 H N . 16867 1 211 . 1 1 122 122 GLU H H 1 7.638 . . 1 . . . . 119 E HN . 16867 1 212 . 1 1 122 122 GLU N N 15 118.587 . . 1 . . . . 119 E N . 16867 1 213 . 1 1 125 125 GLY H H 1 8.417 . . 1 . . . . 122 G HN . 16867 1 214 . 1 1 125 125 GLY N N 15 108.180 . . 1 . . . . 122 G N . 16867 1 215 . 1 1 141 141 GLY H H 1 8.355 . . 1 . . . . 138 G HN . 16867 1 216 . 1 1 141 141 GLY N N 15 105.625 . . 1 . . . . 138 G N . 16867 1 217 . 1 1 151 151 ALA H H 1 8.608 . . 1 . . . . 148 A HN . 16867 1 218 . 1 1 151 151 ALA N N 15 126.353 . . 1 . . . . 148 A N . 16867 1 219 . 1 1 152 152 GLN H H 1 8.522 . . 1 . . . . 149 Q HN . 16867 1 220 . 1 1 152 152 GLN N N 15 118.969 . . 1 . . . . 149 Q N . 16867 1 221 . 1 1 154 154 GLY H H 1 8.117 . . 1 . . . . 151 G HN . 16867 1 222 . 1 1 154 154 GLY N N 15 106.754 . . 1 . . . . 151 G N . 16867 1 223 . 1 1 164 164 THR H H 1 8.343 . . 1 . . . . 161 T HN . 16867 1 224 . 1 1 164 164 THR N N 15 112.349 . . 1 . . . . 161 T N . 16867 1 225 . 1 1 170 170 SER H H 1 8.366 . . 1 . . . . 167 S HN . 16867 1 226 . 1 1 170 170 SER N N 15 116.499 . . 1 . . . . 167 S N . 16867 1 227 . 1 1 171 171 SER H H 1 8.476 . . 1 . . . . 168 S HN . 16867 1 228 . 1 1 171 171 SER N N 15 117.075 . . 1 . . . . 168 S N . 16867 1 229 . 1 1 176 176 THR H H 1 8.191 . . 1 . . . . 173 T HN . 16867 1 230 . 1 1 176 176 THR N N 15 114.360 . . 1 . . . . 173 T N . 16867 1 231 . 1 1 177 177 THR H H 1 8.174 . . 1 . . . . 174 T HN . 16867 1 232 . 1 1 177 177 THR N N 15 115.019 . . 1 . . . . 174 T N . 16867 1 233 . 1 1 183 183 ARG H H 1 7.849 . . 1 . . . . 180 R HN . 16867 1 234 . 1 1 183 183 ARG N N 15 124.600 . . 1 . . . . 180 R N . 16867 1 stop_ save_