################################### # 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 16866 _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' . . . 16866 1 2 '3D CBCA(CO)NH' . . . 16866 1 3 '3D HNCACB' . . . 16866 1 4 '3D C(CO)NH' . . . 16866 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 . . 16866 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 8.455 . . 1 . . . . 1 M HN . 16866 1 2 . 1 1 4 4 MET N N 15 117.973 . . 1 . . . . 1 M N . 16866 1 3 . 1 1 5 5 ALA H H 1 8.528 . . 1 . . . . 2 A HN . 16866 1 4 . 1 1 5 5 ALA N N 15 124.046 . . 1 . . . . 2 A N . 16866 1 5 . 1 1 6 6 ILE H H 1 7.121 . . 1 . . . . 3 I HN . 16866 1 6 . 1 1 6 6 ILE N N 15 117.866 . . 1 . . . . 3 I N . 16866 1 7 . 1 1 7 7 LEU H H 1 8.231 . . 1 . . . . 4 L HN . 16866 1 8 . 1 1 7 7 LEU N N 15 122.253 . . 1 . . . . 4 L N . 16866 1 9 . 1 1 8 8 PHE H H 1 7.170 . . 1 . . . . 5 F HN . 16866 1 10 . 1 1 8 8 PHE N N 15 116.588 . . 1 . . . . 5 F N . 16866 1 11 . 1 1 9 9 ALA H H 1 8.354 . . 1 . . . . 6 A HN . 16866 1 12 . 1 1 9 9 ALA N N 15 126.444 . . 1 . . . . 6 A N . 16866 1 13 . 1 1 10 10 VAL H H 1 9.007 . . 1 . . . . 7 V HN . 16866 1 14 . 1 1 10 10 VAL N N 15 112.707 . . 1 . . . . 7 V N . 16866 1 15 . 1 1 11 11 VAL H H 1 8.167 . . 1 . . . . 8 V HN . 16866 1 16 . 1 1 11 11 VAL N N 15 120.428 . . 1 . . . . 8 V N . 16866 1 17 . 1 1 12 12 ALA H H 1 9.497 . . 1 . . . . 9 A HN . 16866 1 18 . 1 1 12 12 ALA N N 15 129.916 . . 1 . . . . 9 A N . 16866 1 19 . 1 1 13 13 ARG H H 1 8.761 . . 1 . . . . 10 R HN . 16866 1 20 . 1 1 13 13 ARG N N 15 120.810 . . 1 . . . . 10 R N . 16866 1 21 . 1 1 14 14 GLY H H 1 8.391 . . 1 . . . . 11 G HN . 16866 1 22 . 1 1 14 14 GLY N N 15 118.494 . . 1 . . . . 11 G N . 16866 1 23 . 1 1 15 15 THR H H 1 8.217 . . 1 . . . . 12 T HN . 16866 1 24 . 1 1 15 15 THR N N 15 113.468 . . 1 . . . . 12 T N . 16866 1 25 . 1 1 16 16 THR H H 1 8.469 . . 1 . . . . 13 T HN . 16866 1 26 . 1 1 16 16 THR N N 15 120.106 . . 1 . . . . 13 T N . 16866 1 27 . 1 1 17 17 ILE H H 1 8.613 . . 1 . . . . 14 I HN . 16866 1 28 . 1 1 17 17 ILE N N 15 129.050 . . 1 . . . . 14 I N . 16866 1 29 . 1 1 18 18 LEU H H 1 9.246 . . 1 . . . . 15 L HN . 16866 1 30 . 1 1 18 18 LEU N N 15 125.554 . . 1 . . . . 15 L N . 16866 1 31 . 1 1 19 19 ALA H H 1 7.665 . . 1 . . . . 16 A HN . 16866 1 32 . 1 1 19 19 ALA N N 15 116.059 . . 1 . . . . 16 A N . 16866 1 33 . 1 1 20 20 LYS H H 1 8.956 . . 1 . . . . 17 K HN . 16866 1 34 . 1 1 20 20 LYS N N 15 115.477 . . 1 . . . . 17 K N . 16866 1 35 . 1 1 21 21 HIS H H 1 8.297 . . 1 . . . . 18 H HN . 16866 1 36 . 1 1 21 21 HIS N N 15 116.074 . . 1 . . . . 18 H N . 16866 1 37 . 1 1 22 22 ALA H H 1 7.545 . . 1 . . . . 19 A HN . 16866 1 38 . 1 1 22 22 ALA N N 15 126.328 . . 1 . . . . 19 A N . 16866 1 39 . 1 1 23 23 TRP H H 1 8.329 . . 1 . . . . 20 W HN . 16866 1 40 . 1 1 23 23 TRP N N 15 120.672 . . 1 . . . . 20 W N . 16866 1 41 . 1 1 23 23 TRP HE1 H 1 10.319 . . 1 . . . . 20 W HE1 . 16866 1 42 . 1 1 23 23 TRP NE1 N 15 128.191 . . 1 . . . . 20 W NE1 . 16866 1 43 . 1 1 24 24 CYS H H 1 8.028 . . 1 . . . . 21 C HN . 16866 1 44 . 1 1 24 24 CYS N N 15 114.163 . . 1 . . . . 21 C N . 16866 1 45 . 1 1 25 25 GLY H H 1 8.544 . . 1 . . . . 22 G HN . 16866 1 46 . 1 1 25 25 GLY N N 15 107.349 . . 1 . . . . 22 G N . 16866 1 47 . 1 1 26 26 GLY H H 1 7.961 . . 1 . . . . 23 G HN . 16866 1 48 . 1 1 26 26 GLY N N 15 106.793 . . 1 . . . . 23 G N . 16866 1 49 . 1 1 27 27 ASN H H 1 8.220 . . 1 . . . . 24 N HN . 16866 1 50 . 1 1 27 27 ASN N N 15 119.042 . . 1 . . . . 24 N N . 16866 1 51 . 1 1 28 28 PHE H H 1 7.409 . . 1 . . . . 25 F HN . 16866 1 52 . 1 1 28 28 PHE N N 15 117.775 . . 1 . . . . 25 F N . 16866 1 53 . 1 1 29 29 LEU H H 1 8.330 . . 1 . . . . 26 L HN . 16866 1 54 . 1 1 29 29 LEU N N 15 122.781 . . 1 . . . . 26 L N . 16866 1 55 . 1 1 30 30 GLU H H 1 8.223 . . 1 . . . . 27 E HN . 16866 1 56 . 1 1 30 30 GLU N N 15 117.724 . . 1 . . . . 27 E N . 16866 1 57 . 1 1 31 31 VAL H H 1 7.739 . . 1 . . . . 28 V NH . 16866 1 58 . 1 1 31 31 VAL N N 15 115.392 . . 1 . . . . 28 V N . 16866 1 59 . 1 1 32 32 THR H H 1 7.903 . . 1 . . . . 29 T NH . 16866 1 60 . 1 1 32 32 THR N N 15 117.985 . . 1 . . . . 29 T N . 16866 1 61 . 1 1 33 33 GLU H H 1 8.520 . . 1 . . . . 30 E NH . 16866 1 62 . 1 1 33 33 GLU N N 15 119.448 . . 1 . . . . 30 E N . 16866 1 63 . 1 1 34 34 GLN H H 1 7.345 . . 1 . . . . 31 Q NH . 16866 1 64 . 1 1 34 34 GLN N N 15 116.017 . . 1 . . . . 31 Q N . 16866 1 65 . 1 1 35 35 ILE H H 1 7.645 . . 1 . . . . 32 I NH . 16866 1 66 . 1 1 35 35 ILE N N 15 119.646 . . 1 . . . . 32 I N . 16866 1 67 . 1 1 36 36 LEU H H 1 8.681 . . 1 . . . . 33 L NH . 16866 1 68 . 1 1 36 36 LEU N N 15 118.326 . . 1 . . . . 33 L N . 16866 1 69 . 1 1 37 37 ALA H H 1 7.046 . . 1 . . . . 34 A NH . 16866 1 70 . 1 1 37 37 ALA N N 15 115.873 . . 1 . . . . 34 A N . 16866 1 71 . 1 1 38 38 LYS H H 1 7.471 . . 1 . . . . 35 K NH . 16866 1 72 . 1 1 38 38 LYS N N 15 114.618 . . 1 . . . . 35 K N . 16866 1 73 . 1 1 39 39 ILE H H 1 6.916 . . 1 . . . . 36 I NH . 16866 1 74 . 1 1 39 39 ILE N N 15 121.509 . . 1 . . . . 36 I N . 16866 1 75 . 1 1 41 41 SER H H 1 8.570 . . 1 . . . . 38 S HN . 16866 1 76 . 1 1 41 41 SER N N 15 113.833 . . 1 . . . . 38 S N . 16866 1 77 . 1 1 42 42 GLU H H 1 7.440 . . 1 . . . . 39 E HN . 16866 1 78 . 1 1 42 42 GLU N N 15 119.156 . . 1 . . . . 39 E N . 16866 1 79 . 1 1 43 43 ASN H H 1 8.884 . . 1 . . . . 40 N HN . 16866 1 80 . 1 1 43 43 ASN N N 15 120.385 . . 1 . . . . 40 N N . 16866 1 81 . 1 1 44 44 ASN H H 1 8.724 . . 1 . . . . 41 N HN . 16866 1 82 . 1 1 44 44 ASN N N 15 118.745 . . 1 . . . . 41 N N . 16866 1 83 . 1 1 45 45 LYS H H 1 8.089 . . 1 . . . . 42 K HN . 16866 1 84 . 1 1 45 45 LYS N N 15 118.426 . . 1 . . . . 42 K N . 16866 1 85 . 1 1 46 46 LEU H H 1 8.299 . . 1 . . . . 43 L HN . 16866 1 86 . 1 1 46 46 LEU N N 15 123.996 . . 1 . . . . 43 L N . 16866 1 87 . 1 1 47 47 THR H H 1 7.463 . . 1 . . . . 44 T HN . 16866 1 88 . 1 1 47 47 THR N N 15 116.099 . . 1 . . . . 44 T N . 16866 1 89 . 1 1 48 48 TYR H H 1 9.658 . . 1 . . . . 45 Y HN . 16866 1 90 . 1 1 48 48 TYR N N 15 127.864 . . 1 . . . . 45 Y N . 16866 1 91 . 1 1 49 49 SER H H 1 8.411 . . 1 . . . . 46 S HN . 16866 1 92 . 1 1 49 49 SER N N 15 119.426 . . 1 . . . . 46 S N . 16866 1 93 . 1 1 50 50 HIS H H 1 8.633 . . 1 . . . . 47 H HN . 16866 1 94 . 1 1 50 50 HIS N N 15 124.054 . . 1 . . . . 47 H N . 16866 1 95 . 1 1 51 51 GLY H H 1 8.665 . . 1 . . . . 48 G HN . 16866 1 96 . 1 1 51 51 GLY N N 15 116.081 . . 1 . . . . 48 G N . 16866 1 97 . 1 1 52 52 ASN H H 1 8.671 . . 1 . . . . 49 N HN . 16866 1 98 . 1 1 52 52 ASN N N 15 119.938 . . 1 . . . . 49 N N . 16866 1 99 . 1 1 53 53 TYR H H 1 7.956 . . 1 . . . . 50 Y HN . 16866 1 100 . 1 1 53 53 TYR N N 15 115.677 . . 1 . . . . 50 Y N . 16866 1 101 . 1 1 54 54 LEU H H 1 8.587 . . 1 . . . . 51 L HN . 16866 1 102 . 1 1 54 54 LEU N N 15 119.410 . . 1 . . . . 51 L N . 16866 1 103 . 1 1 55 55 PHE H H 1 9.089 . . 1 . . . . 52 F HN . 16866 1 104 . 1 1 55 55 PHE N N 15 120.120 . . 1 . . . . 52 F N . 16866 1 105 . 1 1 56 56 HIS H H 1 8.987 . . 1 . . . . 53 H HN . 16866 1 106 . 1 1 56 56 HIS N N 15 122.106 . . 1 . . . . 53 H N . 16866 1 107 . 1 1 57 57 TYR H H 1 9.529 . . 1 . . . . 54 Y HN . 16866 1 108 . 1 1 57 57 TYR N N 15 117.524 . . 1 . . . . 54 Y N . 16866 1 109 . 1 1 58 58 ILE H H 1 9.167 . . 1 . . . . 55 I HN . 16866 1 110 . 1 1 58 58 ILE N N 15 116.536 . . 1 . . . . 55 I N . 16866 1 111 . 1 1 59 59 CYS H H 1 9.462 . . 1 . . . . 56 C HN . 16866 1 112 . 1 1 59 59 CYS N N 15 126.356 . . 1 . . . . 56 C N . 16866 1 113 . 1 1 60 60 GLN H H 1 9.701 . . 1 . . . . 57 Q HN . 16866 1 114 . 1 1 60 60 GLN N N 15 128.781 . . 1 . . . . 57 Q N . 16866 1 115 . 1 1 61 61 ASP H H 1 9.376 . . 1 . . . . 58 D HN . 16866 1 116 . 1 1 61 61 ASP N N 15 130.220 . . 1 . . . . 58 D N . 16866 1 117 . 1 1 62 62 ARG H H 1 8.876 . . 1 . . . . 59 R HN . 16866 1 118 . 1 1 62 62 ARG N N 15 105.539 . . 1 . . . . 59 R N . 16866 1 119 . 1 1 63 63 ILE H H 1 7.769 . . 1 . . . . 60 I HN . 16866 1 120 . 1 1 63 63 ILE N N 15 121.122 . . 1 . . . . 60 I N . 16866 1 121 . 1 1 64 64 VAL H H 1 9.222 . . 1 . . . . 61 V HN . 16866 1 122 . 1 1 64 64 VAL N N 15 125.548 . . 1 . . . . 61 V N . 16866 1 123 . 1 1 65 65 TYR H H 1 9.221 . . 1 . . . . 62 Y HN . 16866 1 124 . 1 1 65 65 TYR N N 15 126.166 . . 1 . . . . 62 Y N . 16866 1 125 . 1 1 66 66 LEU H H 1 8.900 . . 1 . . . . 63 L HN . 16866 1 126 . 1 1 66 66 LEU N N 15 124.954 . . 1 . . . . 63 L N . 16866 1 127 . 1 1 67 67 CYS H H 1 9.885 . . 1 . . . . 64 C HN . 16866 1 128 . 1 1 67 67 CYS N N 15 117.773 . . 1 . . . . 64 C N . 16866 1 129 . 1 1 68 68 ILE H H 1 8.261 . . 1 . . . . 65 I HN . 16866 1 130 . 1 1 68 68 ILE N N 15 119.388 . . 1 . . . . 65 I N . 16866 1 131 . 1 1 69 69 THR H H 1 9.090 . . 1 . . . . 66 T HN . 16866 1 132 . 1 1 69 69 THR N N 15 115.135 . . 1 . . . . 66 T N . 16866 1 133 . 1 1 70 70 ASP H H 1 8.948 . . 1 . . . . 67 D HN . 16866 1 134 . 1 1 70 70 ASP N N 15 117.420 . . 1 . . . . 67 D N . 16866 1 135 . 1 1 71 71 ASP H H 1 8.526 . . 1 . . . . 68 D HN . 16866 1 136 . 1 1 71 71 ASP N N 15 117.716 . . 1 . . . . 68 D N . 16866 1 137 . 1 1 72 72 ASP H H 1 8.412 . . 1 . . . . 69 D HN . 16866 1 138 . 1 1 72 72 ASP N N 15 116.284 . . 1 . . . . 69 D N . 16866 1 139 . 1 1 73 73 PHE H H 1 7.210 . . 1 . . . . 70 F HN . 16866 1 140 . 1 1 73 73 PHE N N 15 121.526 . . 1 . . . . 70 F N . 16866 1 141 . 1 1 74 74 GLU H H 1 7.846 . . 1 . . . . 71 E HN . 16866 1 142 . 1 1 74 74 GLU N N 15 127.674 . . 1 . . . . 71 E N . 16866 1 143 . 1 1 75 75 ARG H H 1 8.686 . . 1 . . . . 72 R HN . 16866 1 144 . 1 1 75 75 ARG N N 15 127.141 . . 1 . . . . 72 R N . 16866 1 145 . 1 1 76 76 SER H H 1 8.940 . . 1 . . . . 73 S HN . 16866 1 146 . 1 1 76 76 SER N N 15 112.888 . . 1 . . . . 73 S N . 16866 1 147 . 1 1 77 77 ARG H H 1 7.159 . . 1 . . . . 74 R HN . 16866 1 148 . 1 1 77 77 ARG N N 15 120.456 . . 1 . . . . 74 R N . 16866 1 149 . 1 1 78 78 ALA H H 1 7.585 . . 1 . . . . 75 A HN . 16866 1 150 . 1 1 78 78 ALA N N 15 121.541 . . 1 . . . . 75 A N . 16866 1 151 . 1 1 79 79 PHE H H 1 7.979 . . 1 . . . . 76 F HN . 16866 1 152 . 1 1 79 79 PHE N N 15 113.332 . . 1 . . . . 76 F N . 16866 1 153 . 1 1 80 80 ASN H H 1 8.232 . . 1 . . . . 77 N HN . 16866 1 154 . 1 1 80 80 ASN N N 15 119.936 . . 1 . . . . 77 N N . 16866 1 155 . 1 1 81 81 PHE H H 1 7.500 . . 1 . . . . 78 F HN . 16866 1 156 . 1 1 81 81 PHE N N 15 120.001 . . 1 . . . . 78 F N . 16866 1 157 . 1 1 82 82 LEU H H 1 8.330 . . 1 . . . . 79 L HN . 16866 1 158 . 1 1 82 82 LEU N N 15 117.323 . . 1 . . . . 79 L N . 16866 1 159 . 1 1 83 83 ASN H H 1 8.587 . . 1 . . . . 80 N HN . 16866 1 160 . 1 1 83 83 ASN N N 15 116.079 . . 1 . . . . 80 N N . 16866 1 161 . 1 1 84 84 GLU H H 1 7.666 . . 1 . . . . 81 E HN . 16866 1 162 . 1 1 84 84 GLU N N 15 119.145 . . 1 . . . . 81 E N . 16866 1 163 . 1 1 85 85 ILE H H 1 7.904 . . 1 . . . . 82 I HN . 16866 1 164 . 1 1 85 85 ILE N N 15 116.252 . . 1 . . . . 82 I N . 16866 1 165 . 1 1 86 86 LYS H H 1 8.263 . . 1 . . . . 83 K HN . 16866 1 166 . 1 1 86 86 LYS N N 15 122.223 . . 1 . . . . 83 K N . 16866 1 167 . 1 1 87 87 LYS H H 1 7.662 . . 1 . . . . 84 K HN . 16866 1 168 . 1 1 87 87 LYS N N 15 117.233 . . 1 . . . . 84 K N . 16866 1 169 . 1 1 88 88 ARG H H 1 7.743 . . 1 . . . . 85 R HN . 16866 1 170 . 1 1 88 88 ARG N N 15 117.200 . . 1 . . . . 85 R N . 16866 1 171 . 1 1 89 89 PHE H H 1 9.408 . . 1 . . . . 86 F HN . 16866 1 172 . 1 1 89 89 PHE N N 15 122.547 . . 1 . . . . 86 F N . 16866 1 173 . 1 1 90 90 GLN H H 1 9.131 . . 1 . . . . 87 Q HN . 16866 1 174 . 1 1 90 90 GLN N N 15 116.967 . . 1 . . . . 87 Q N . 16866 1 175 . 1 1 91 91 THR H H 1 7.989 . . 1 . . . . 88 T HN . 16866 1 176 . 1 1 91 91 THR N N 15 112.773 . . 1 . . . . 88 T N . 16866 1 177 . 1 1 92 92 THR H H 1 7.714 . . 1 . . . . 89 T HN . 16866 1 178 . 1 1 92 92 THR N N 15 115.265 . . 1 . . . . 89 T N . 16866 1 179 . 1 1 93 93 TYR H H 1 7.772 . . 1 . . . . 90 Y HN . 16866 1 180 . 1 1 93 93 TYR N N 15 114.556 . . 1 . . . . 90 Y N . 16866 1 181 . 1 1 94 94 GLY H H 1 7.821 . . 1 . . . . 91 G HN . 16866 1 182 . 1 1 94 94 GLY N N 15 107.652 . . 1 . . . . 91 G N . 16866 1 183 . 1 1 96 96 ARG H H 1 8.275 . . 1 . . . . 93 R HN . 16866 1 184 . 1 1 96 96 ARG N N 15 121.919 . . 1 . . . . 93 R N . 16866 1 185 . 1 1 97 97 ALA H H 1 7.611 . . 1 . . . . 94 A HN . 16866 1 186 . 1 1 97 97 ALA N N 15 117.203 . . 1 . . . . 94 A N . 16866 1 187 . 1 1 98 98 GLN H H 1 7.748 . . 1 . . . . 95 Q HN . 16866 1 188 . 1 1 98 98 GLN N N 15 110.784 . . 1 . . . . 95 Q N . 16866 1 189 . 1 1 100 100 ALA H H 1 7.150 . . 1 . . . . 97 A HN . 16866 1 190 . 1 1 100 100 ALA N N 15 124.758 . . 1 . . . . 97 A N . 16866 1 191 . 1 1 101 101 LEU H H 1 8.233 . . 1 . . . . 98 L HN . 16866 1 192 . 1 1 101 101 LEU N N 15 121.325 . . 1 . . . . 98 L N . 16866 1 193 . 1 1 106 106 ASN H H 1 7.917 . . 1 . . . . 103 N HN . 16866 1 194 . 1 1 106 106 ASN N N 15 119.855 . . 1 . . . . 103 N N . 16866 1 195 . 1 1 108 108 GLU H H 1 8.297 . . 1 . . . . 105 E HN . 16866 1 196 . 1 1 108 108 GLU N N 15 118.110 . . 1 . . . . 105 E N . 16866 1 197 . 1 1 109 109 PHE H H 1 8.927 . . 1 . . . . 106 F HN . 16866 1 198 . 1 1 109 109 PHE N N 15 117.219 . . 1 . . . . 106 F N . 16866 1 199 . 1 1 110 110 SER H H 1 8.606 . . 1 . . . . 107 S HN . 16866 1 200 . 1 1 110 110 SER N N 15 114.736 . . 1 . . . . 107 S N . 16866 1 201 . 1 1 111 111 SER H H 1 7.561 . . 1 . . . . 108 S HN . 16866 1 202 . 1 1 111 111 SER N N 15 112.963 . . 1 . . . . 108 S N . 16866 1 203 . 1 1 112 112 VAL H H 1 7.016 . . 1 . . . . 109 V HN . 16866 1 204 . 1 1 112 112 VAL N N 15 124.330 . . 1 . . . . 109 V N . 16866 1 205 . 1 1 113 113 LEU H H 1 7.456 . . 1 . . . . 110 L HN . 16866 1 206 . 1 1 113 113 LEU N N 15 117.388 . . 1 . . . . 110 L N . 16866 1 207 . 1 1 115 115 ALA H H 1 7.709 . . 1 . . . . 112 A HN . 16866 1 208 . 1 1 115 115 ALA N N 15 118.330 . . 1 . . . . 112 A N . 16866 1 209 . 1 1 116 116 GLN H H 1 8.183 . . 1 . . . . 113 Q HN . 16866 1 210 . 1 1 116 116 GLN N N 15 115.040 . . 1 . . . . 113 Q N . 16866 1 211 . 1 1 118 118 LYS H H 1 7.660 . . 1 . . . . 115 K HN . 16866 1 212 . 1 1 118 118 LYS N N 15 118.335 . . 1 . . . . 115 K N . 16866 1 213 . 1 1 119 119 HIS H H 1 7.998 . . 1 . . . . 116 H HN . 16866 1 214 . 1 1 119 119 HIS N N 15 117.184 . . 1 . . . . 116 H N . 16866 1 215 . 1 1 121 121 SER H H 1 7.754 . . 1 . . . . 118 S HN . 16866 1 216 . 1 1 121 121 SER N N 15 121.196 . . 1 . . . . 118 S N . 16866 1 stop_ save_