################################### # 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 53742 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'CheA-P1 with kinase-off chemotaxis signaling complexes and AMPPCP' _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 $chem_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 ; Several peaks with ambiguous assignments have not been included in this assigned chemical shift list. The ambiguity in those peak assignments comes from overlap of 2 peaks during or at the end of assignment transfer from Zhou, H., et. al. (1995). Biochemistry, 34(42), 13858-13870. CheA-P1 conditions. Requests for the assigned chemical shift list that include these ambiguous peaks can be made to Lynmarie Thompson. ; _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 TROSY' . . . 53742 1 stop_ loop_ _Systematic_chem_shift_offset.Type _Systematic_chem_shift_offset.Atom_type _Systematic_chem_shift_offset.Atom_isotope_number _Systematic_chem_shift_offset.Val _Systematic_chem_shift_offset.Val_err _Systematic_chem_shift_offset.Entry_ID _Systematic_chem_shift_offset.Assigned_chem_shift_list_ID na 'all nitrogens' . -0.066 . 53742 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 $software_1 . . 53742 1 2 $software_2 . . 53742 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 ILE H H 1 8.075819543 . . 1 . . . . . 5 ILE H . 53742 1 2 . 1 . 1 5 5 ILE N N 15 122.1165986 . . 1 . . . . . 5 ILE N . 53742 1 3 . 1 . 1 6 6 SER H H 1 8.243003855 . . 1 . . . . . 6 SER H . 53742 1 4 . 1 . 1 6 6 SER N N 15 122.7447464 . . 1 . . . . . 6 SER N . 53742 1 5 . 1 . 1 7 7 ASP H H 1 8.105305183 . . 1 . . . . . 7 ASP H . 53742 1 6 . 1 . 1 7 7 ASP N N 15 122.911986 . . 1 . . . . . 7 ASP N . 53742 1 7 . 1 . 1 8 8 PHE H H 1 7.798696221 . . 1 . . . . . 8 PHE H . 53742 1 8 . 1 . 1 8 8 PHE N N 15 120.0815773 . . 1 . . . . . 8 PHE N . 53742 1 9 . 1 . 1 9 9 TYR H H 1 7.544887773 . . 1 . . . . . 9 TYR H . 53742 1 10 . 1 . 1 9 9 TYR N N 15 119.0400471 . . 1 . . . . . 9 TYR N . 53742 1 11 . 1 . 1 10 10 GLN H H 1 7.787225281 . . 1 . . . . . 10 GLN H . 53742 1 12 . 1 . 1 10 10 GLN N N 15 118.3697529 . . 1 . . . . . 10 GLN N . 53742 1 13 . 1 . 1 11 11 THR H H 1 7.773609552 . . 1 . . . . . 11 THR H . 53742 1 14 . 1 . 1 11 11 THR N N 15 113.3295999 . . 1 . . . . . 11 THR N . 53742 1 15 . 1 . 1 12 12 PHE H H 1 7.29553246 . . 1 . . . . . 12 PHE H . 53742 1 16 . 1 . 1 12 12 PHE N N 15 122.5464796 . . 1 . . . . . 12 PHE N . 53742 1 17 . 1 . 1 13 13 PHE H H 1 8.1744764 . . 1 . . . . . 13 PHE H . 53742 1 18 . 1 . 1 13 13 PHE N N 15 118.9064152 . . 1 . . . . . 13 PHE N . 53742 1 19 . 1 . 1 14 14 ASP H H 1 8.170864072 . . 1 . . . . . 14 ASP H . 53742 1 20 . 1 . 1 14 14 ASP N N 15 118.2632976 . . 1 . . . . . 14 ASP N . 53742 1 21 . 1 . 1 15 15 GLU H H 1 7.901556296 . . 1 . . . . . 15 GLU H . 53742 1 22 . 1 . 1 15 15 GLU N N 15 122.3316837 . . 1 . . . . . 15 GLU N . 53742 1 23 . 1 . 1 16 16 ALA H H 1 9.020642499 . . 1 . . . . . 16 ALA H . 53742 1 24 . 1 . 1 16 16 ALA N N 15 122.731253 . . 1 . . . . . 16 ALA N . 53742 1 25 . 1 . 1 17 17 ASP H H 1 8.153493722 . . 1 . . . . . 17 ASP H . 53742 1 26 . 1 . 1 17 17 ASP N N 15 118.7813517 . . 1 . . . . . 17 ASP N . 53742 1 27 . 1 . 1 18 18 GLU H H 1 7.244936823 . . 1 . . . . . 18 GLU H . 53742 1 28 . 1 . 1 18 18 GLU N N 15 120.9973198 . . 1 . . . . . 18 GLU N . 53742 1 29 . 1 . 1 21 21 ALA H H 1 7.444812651 . . 1 . . . . . 21 ALA H . 53742 1 30 . 1 . 1 21 21 ALA N N 15 122.7466015 . . 1 . . . . . 21 ALA N . 53742 1 31 . 1 . 1 22 22 ASP H H 1 8.162424143 . . 1 . . . . . 22 ASP H . 53742 1 32 . 1 . 1 22 22 ASP N N 15 121.6485496 . . 1 . . . . . 22 ASP N . 53742 1 33 . 1 . 1 24 24 GLU H H 1 7.997459274 . . 1 . . . . . 24 GLU H . 53742 1 34 . 1 . 1 24 24 GLU N N 15 118.7312507 . . 1 . . . . . 24 GLU N . 53742 1 35 . 1 . 1 25 25 GLN H H 1 7.687219534 . . 1 . . . . . 25 GLN H . 53742 1 36 . 1 . 1 25 25 GLN N N 15 116.0607949 . . 1 . . . . . 25 GLN N . 53742 1 37 . 1 . 1 27 27 LEU H H 1 8.335114432 . . 1 . . . . . 27 LEU H . 53742 1 38 . 1 . 1 27 27 LEU N N 15 120.308287 . . 1 . . . . . 27 LEU N . 53742 1 39 . 1 . 1 28 28 LEU H H 1 7.781909873 . . 1 . . . . . 28 LEU H . 53742 1 40 . 1 . 1 28 28 LEU N N 15 115.6959088 . . 1 . . . . . 28 LEU N . 53742 1 41 . 1 . 1 29 29 VAL H H 1 6.943462468 . . 1 . . . . . 29 VAL H . 53742 1 42 . 1 . 1 29 29 VAL N N 15 109.5657302 . . 1 . . . . . 29 VAL N . 53742 1 43 . 1 . 1 30 30 LEU H H 1 7.087145637 . . 1 . . . . . 30 LEU H . 53742 1 44 . 1 . 1 30 30 LEU N N 15 126.0672187 . . 1 . . . . . 30 LEU N . 53742 1 45 . 1 . 1 31 31 GLN H H 1 8.749632128 . . 1 . . . . . 31 GLN H . 53742 1 46 . 1 . 1 31 31 GLN N N 15 127.048912 . . 1 . . . . . 31 GLN N . 53742 1 47 . 1 . 1 33 33 GLU H H 1 8.627307091 . . 1 . . . . . 33 GLU H . 53742 1 48 . 1 . 1 33 33 GLU N N 15 114.218031 . . 1 . . . . . 33 GLU N . 53742 1 49 . 1 . 1 34 34 ALA H H 1 7.198197386 . . 1 . . . . . 34 ALA H . 53742 1 50 . 1 . 1 34 34 ALA N N 15 121.5955433 . . 1 . . . . . 34 ALA N . 53742 1 51 . 1 . 1 36 36 ASP H H 1 8.19856026 . . 1 . . . . . 36 ASP H . 53742 1 52 . 1 . 1 36 36 ASP N N 15 125.8171526 . . 1 . . . . . 36 ASP N . 53742 1 53 . 1 . 1 37 37 ALA H H 1 8.802292648 . . 1 . . . . . 37 ALA H . 53742 1 54 . 1 . 1 37 37 ALA N N 15 130.4278701 . . 1 . . . . . 37 ALA N . 53742 1 55 . 1 . 1 38 38 GLU H H 1 8.213553022 . . 1 . . . . . 38 GLU H . 53742 1 56 . 1 . 1 38 38 GLU N N 15 117.9619923 . . 1 . . . . . 38 GLU N . 53742 1 57 . 1 . 1 40 40 LEU H H 1 7.83889126 . . 1 . . . . . 40 LEU H . 53742 1 58 . 1 . 1 40 40 LEU N N 15 117.7417664 . . 1 . . . . . 40 LEU N . 53742 1 59 . 1 . 1 41 41 ASN H H 1 8.351924594 . . 1 . . . . . 41 ASN H . 53742 1 60 . 1 . 1 41 41 ASN N N 15 117.9239149 . . 1 . . . . . 41 ASN N . 53742 1 61 . 1 . 1 42 42 ALA H H 1 7.732488183 . . 1 . . . . . 42 ALA H . 53742 1 62 . 1 . 1 42 42 ALA N N 15 123.3854376 . . 1 . . . . . 42 ALA N . 53742 1 63 . 1 . 1 43 43 ILE H H 1 7.743138784 . . 1 . . . . . 43 ILE H . 53742 1 64 . 1 . 1 43 43 ILE N N 15 120.5693898 . . 1 . . . . . 43 ILE N . 53742 1 65 . 1 . 1 45 45 ARG H H 1 8.73567122 . . 1 . . . . . 45 ARG H . 53742 1 66 . 1 . 1 45 45 ARG N N 15 118.9611094 . . 1 . . . . . 45 ARG N . 53742 1 67 . 1 . 1 46 46 ALA H H 1 7.474174603 . . 1 . . . . . 46 ALA H . 53742 1 68 . 1 . 1 46 46 ALA N N 15 122.2944665 . . 1 . . . . . 46 ALA N . 53742 1 69 . 1 . 1 47 47 ALA H H 1 7.721206806 . . 1 . . . . . 47 ALA H . 53742 1 70 . 1 . 1 47 47 ALA N N 15 119.9384598 . . 1 . . . . . 47 ALA N . 53742 1 71 . 1 . 1 48 48 HIS H H 1 8.699870678 . . 1 . . . . . 48 HIS H . 53742 1 72 . 1 . 1 48 48 HIS N N 15 116.9714158 . . 1 . . . . . 48 HIS N . 53742 1 73 . 1 . 1 49 49 SER H H 1 8.215870185 . . 1 . . . . . 49 SER H . 53742 1 74 . 1 . 1 49 49 SER N N 15 117.1951554 . . 1 . . . . . 49 SER N . 53742 1 75 . 1 . 1 50 50 ILE H H 1 8.010784178 . . 1 . . . . . 50 ILE H . 53742 1 76 . 1 . 1 50 50 ILE N N 15 124.4718394 . . 1 . . . . . 50 ILE N . 53742 1 77 . 1 . 1 51 51 LYS H H 1 8.381205427 . . 1 . . . . . 51 LYS H . 53742 1 78 . 1 . 1 51 51 LYS N N 15 121.622861 . . 1 . . . . . 51 LYS N . 53742 1 79 . 1 . 1 52 52 GLY H H 1 7.64885549 . . 1 . . . . . 52 GLY H . 53742 1 80 . 1 . 1 52 52 GLY N N 15 105.7330396 . . 1 . . . . . 52 GLY N . 53742 1 81 . 1 . 1 53 53 GLY H H 1 7.754825084 . . 1 . . . . . 53 GLY H . 53742 1 82 . 1 . 1 53 53 GLY N N 15 110.8866247 . . 1 . . . . . 53 GLY N . 53742 1 83 . 1 . 1 54 54 ALA H H 1 8.737575366 . . 1 . . . . . 54 ALA H . 53742 1 84 . 1 . 1 54 54 ALA N N 15 123.1955065 . . 1 . . . . . 54 ALA N . 53742 1 85 . 1 . 1 55 55 GLY H H 1 7.89712732 . . 1 . . . . . 55 GLY H . 53742 1 86 . 1 . 1 55 55 GLY N N 15 103.9683955 . . 1 . . . . . 55 GLY N . 53742 1 87 . 1 . 1 56 56 THR H H 1 7.442599769 . . 1 . . . . . 56 THR H . 53742 1 88 . 1 . 1 56 56 THR N N 15 120.5664466 . . 1 . . . . . 56 THR N . 53742 1 89 . 1 . 1 57 57 PHE H H 1 6.732485385 . . 1 . . . . . 57 PHE H . 53742 1 90 . 1 . 1 57 57 PHE N N 15 116.0827973 . . 1 . . . . . 57 PHE N . 53742 1 91 . 1 . 1 58 58 GLY H H 1 7.045639547 . . 1 . . . . . 58 GLY H . 53742 1 92 . 1 . 1 58 58 GLY N N 15 107.407967 . . 1 . . . . . 58 GLY N . 53742 1 93 . 1 . 1 59 59 PHE H H 1 8.004465192 . . 1 . . . . . 59 PHE H . 53742 1 94 . 1 . 1 59 59 PHE N N 15 122.4027023 . . 1 . . . . . 59 PHE N . 53742 1 95 . 1 . 1 60 60 SER H H 1 7.833498436 . . 1 . . . . . 60 SER H . 53742 1 96 . 1 . 1 60 60 SER N N 15 119.5172961 . . 1 . . . . . 60 SER N . 53742 1 97 . 1 . 1 61 61 VAL H H 1 7.750657431 . . 1 . . . . . 61 VAL H . 53742 1 98 . 1 . 1 61 61 VAL N N 15 122.1806506 . . 1 . . . . . 61 VAL N . 53742 1 99 . 1 . 1 62 62 LEU H H 1 6.60465709 . . 1 . . . . . 62 LEU H . 53742 1 100 . 1 . 1 62 62 LEU N N 15 122.3434413 . . 1 . . . . . 62 LEU N . 53742 1 101 . 1 . 1 63 63 GLN H H 1 8.476612154 . . 1 . . . . . 63 GLN H . 53742 1 102 . 1 . 1 63 63 GLN N N 15 122.8860613 . . 1 . . . . . 63 GLN N . 53742 1 103 . 1 . 1 64 64 GLU H H 1 8.225533321 . . 1 . . . . . 64 GLU H . 53742 1 104 . 1 . 1 64 64 GLU N N 15 119.062763 . . 1 . . . . . 64 GLU N . 53742 1 105 . 1 . 1 65 65 THR H H 1 7.939734418 . . 1 . . . . . 65 THR H . 53742 1 106 . 1 . 1 65 65 THR N N 15 116.7431622 . . 1 . . . . . 65 THR N . 53742 1 107 . 1 . 1 66 66 THR H H 1 8.029358579 . . 1 . . . . . 66 THR H . 53742 1 108 . 1 . 1 66 66 THR N N 15 113.2868721 . . 1 . . . . . 66 THR N . 53742 1 109 . 1 . 1 67 67 HIS H H 1 8.452165009 . . 1 . . . . . 67 HIS H . 53742 1 110 . 1 . 1 67 67 HIS N N 15 122.9657993 . . 1 . . . . . 67 HIS N . 53742 1 111 . 1 . 1 68 68 LEU H H 1 7.643490357 . . 1 . . . . . 68 LEU H . 53742 1 112 . 1 . 1 68 68 LEU N N 15 118.0395945 . . 1 . . . . . 68 LEU N . 53742 1 113 . 1 . 1 69 69 MET H H 1 7.581131391 . . 1 . . . . . 69 MET H . 53742 1 114 . 1 . 1 69 69 MET N N 15 119.0179964 . . 1 . . . . . 69 MET N . 53742 1 115 . 1 . 1 70 70 GLU H H 1 9.274562513 . . 1 . . . . . 70 GLU H . 53742 1 116 . 1 . 1 70 70 GLU N N 15 121.4734305 . . 1 . . . . . 70 GLU N . 53742 1 117 . 1 . 1 71 71 ASN H H 1 7.857762194 . . 1 . . . . . 71 ASN H . 53742 1 118 . 1 . 1 71 71 ASN N N 15 117.5395727 . . 1 . . . . . 71 ASN N . 53742 1 119 . 1 . 1 72 72 LEU H H 1 7.090217684 . . 1 . . . . . 72 LEU H . 53742 1 120 . 1 . 1 72 72 LEU N N 15 119.7990995 . . 1 . . . . . 72 LEU N . 53742 1 121 . 1 . 1 74 74 ASP H H 1 8.654389964 . . 1 . . . . . 74 ASP H . 53742 1 122 . 1 . 1 74 74 ASP N N 15 120.4388584 . . 1 . . . . . 74 ASP N . 53742 1 123 . 1 . 1 76 76 ALA H H 1 8.219665574 . . 1 . . . . . 76 ALA H . 53742 1 124 . 1 . 1 76 76 ALA N N 15 121.1771175 . . 1 . . . . . 76 ALA N . 53742 1 125 . 1 . 1 77 77 ARG H H 1 8.652427354 . . 1 . . . . . 77 ARG H . 53742 1 126 . 1 . 1 77 77 ARG N N 15 120.1211618 . . 1 . . . . . 77 ARG N . 53742 1 127 . 1 . 1 79 79 GLY H H 1 7.636421686 . . 1 . . . . . 79 GLY H . 53742 1 128 . 1 . 1 79 79 GLY N N 15 107.9226291 . . 1 . . . . . 79 GLY N . 53742 1 129 . 1 . 1 80 80 GLU H H 1 7.833777397 . . 1 . . . . . 80 GLU H . 53742 1 130 . 1 . 1 80 80 GLU N N 15 118.2446827 . . 1 . . . . . 80 GLU N . 53742 1 131 . 1 . 1 81 81 MET H H 1 6.811389978 . . 1 . . . . . 81 MET H . 53742 1 132 . 1 . 1 81 81 MET N N 15 117.5399515 . . 1 . . . . . 81 MET N . 53742 1 133 . 1 . 1 82 82 GLN H H 1 8.526703523 . . 1 . . . . . 82 GLN H . 53742 1 134 . 1 . 1 82 82 GLN N N 15 126.4915057 . . 1 . . . . . 82 GLN N . 53742 1 135 . 1 . 1 84 84 ASN H H 1 6.492743021 . . 1 . . . . . 84 ASN H . 53742 1 136 . 1 . 1 84 84 ASN N N 15 111.9734063 . . 1 . . . . . 84 ASN N . 53742 1 137 . 1 . 1 86 86 ASP H H 1 7.806860345 . . 1 . . . . . 86 ASP H . 53742 1 138 . 1 . 1 86 86 ASP N N 15 122.4534715 . . 1 . . . . . 86 ASP N . 53742 1 139 . 1 . 1 87 87 ILE H H 1 8.200260401 . . 1 . . . . . 87 ILE H . 53742 1 140 . 1 . 1 87 87 ILE N N 15 122.9347473 . . 1 . . . . . 87 ILE N . 53742 1 141 . 1 . 1 88 88 ILE H H 1 7.591986422 . . 1 . . . . . 88 ILE H . 53742 1 142 . 1 . 1 88 88 ILE N N 15 119.8656982 . . 1 . . . . . 88 ILE N . 53742 1 143 . 1 . 1 89 89 ASN H H 1 8.278936459 . . 1 . . . . . 89 ASN H . 53742 1 144 . 1 . 1 89 89 ASN N N 15 118.5039465 . . 1 . . . . . 89 ASN N . 53742 1 145 . 1 . 1 91 91 PHE H H 1 8.693895876 . . 1 . . . . . 91 PHE H . 53742 1 146 . 1 . 1 91 91 PHE N N 15 123.7595098 . . 1 . . . . . 91 PHE N . 53742 1 147 . 1 . 1 92 92 LEU H H 1 8.593847325 . . 1 . . . . . 92 LEU H . 53742 1 148 . 1 . 1 92 92 LEU N N 15 123.1203709 . . 1 . . . . . 92 LEU N . 53742 1 149 . 1 . 1 93 93 GLU H H 1 8.261059894 . . 1 . . . . . 93 GLU H . 53742 1 150 . 1 . 1 93 93 GLU N N 15 121.8694445 . . 1 . . . . . 93 GLU N . 53742 1 151 . 1 . 1 94 94 THR H H 1 8.489933574 . . 1 . . . . . 94 THR H . 53742 1 152 . 1 . 1 94 94 THR N N 15 118.0611427 . . 1 . . . . . 94 THR N . 53742 1 153 . 1 . 1 96 96 ASP H H 1 7.845476852 . . 1 . . . . . 96 ASP H . 53742 1 154 . 1 . 1 96 96 ASP N N 15 121.3009899 . . 1 . . . . . 96 ASP N . 53742 1 155 . 1 . 1 98 98 MET H H 1 9.052281109 . . 1 . . . . . 98 MET H . 53742 1 156 . 1 . 1 98 98 MET N N 15 122.4832098 . . 1 . . . . . 98 MET N . 53742 1 157 . 1 . 1 99 99 GLN H H 1 8.226698066 . . 1 . . . . . 99 GLN H . 53742 1 158 . 1 . 1 99 99 GLN N N 15 119.3528135 . . 1 . . . . . 99 GLN N . 53742 1 159 . 1 . 1 100 100 GLU H H 1 7.654186788 . . 1 . . . . . 100 GLU H . 53742 1 160 . 1 . 1 100 100 GLU N N 15 119.7357139 . . 1 . . . . . 100 GLU N . 53742 1 161 . 1 . 1 103 103 ASP H H 1 8.463067835 . . 1 . . . . . 103 ASP H . 53742 1 162 . 1 . 1 103 103 ASP N N 15 118.3691376 . . 1 . . . . . 103 ASP N . 53742 1 163 . 1 . 1 104 104 ALA H H 1 7.540653207 . . 1 . . . . . 104 ALA H . 53742 1 164 . 1 . 1 104 104 ALA N N 15 124.8099279 . . 1 . . . . . 104 ALA N . 53742 1 165 . 1 . 1 105 105 TYR H H 1 7.666353041 . . 1 . . . . . 105 TYR H . 53742 1 166 . 1 . 1 105 105 TYR N N 15 119.6258886 . . 1 . . . . . 105 TYR N . 53742 1 167 . 1 . 1 107 107 GLN H H 1 7.075699367 . . 1 . . . . . 107 GLN H . 53742 1 168 . 1 . 1 107 107 GLN N N 15 115.9380487 . . 1 . . . . . 107 GLN N . 53742 1 169 . 1 . 1 108 108 SER H H 1 7.98819354 . . 1 . . . . . 108 SER H . 53742 1 170 . 1 . 1 108 108 SER N N 15 113.5522241 . . 1 . . . . . 108 SER N . 53742 1 171 . 1 . 1 109 109 GLN H H 1 7.993479667 . . 1 . . . . . 109 GLN H . 53742 1 172 . 1 . 1 109 109 GLN N N 15 118.1562629 . . 1 . . . . . 109 GLN N . 53742 1 173 . 1 . 1 110 110 GLU H H 1 8.162969581 . . 1 . . . . . 110 GLU H . 53742 1 174 . 1 . 1 110 110 GLU N N 15 120.7573693 . . 1 . . . . . 110 GLU N . 53742 1 175 . 1 . 1 113 113 ALA H H 1 8.718363398 . . 1 . . . . . 113 ALA H . 53742 1 176 . 1 . 1 113 113 ALA N N 15 132.9602206 . . 1 . . . . . 113 ALA N . 53742 1 177 . 1 . 1 114 114 ALA H H 1 8.181017796 . . 1 . . . . . 114 ALA H . 53742 1 178 . 1 . 1 114 114 ALA N N 15 121.8073699 . . 1 . . . . . 114 ALA N . 53742 1 179 . 1 . 1 115 115 SER H H 1 8.26796449 . . 1 . . . . . 115 SER H . 53742 1 180 . 1 . 1 115 115 SER N N 15 116.6773467 . . 1 . . . . . 115 SER N . 53742 1 181 . 1 . 1 116 116 PHE H H 1 7.130138235 . . 1 . . . . . 116 PHE H . 53742 1 182 . 1 . 1 116 116 PHE N N 15 123.1238541 . . 1 . . . . . 116 PHE N . 53742 1 183 . 1 . 1 118 118 TYR H H 1 7.831475812 . . 1 . . . . . 118 TYR H . 53742 1 184 . 1 . 1 118 118 TYR N N 15 118.9681793 . . 1 . . . . . 118 TYR N . 53742 1 185 . 1 . 1 119 119 ILE H H 1 8.269257624 . . 1 . . . . . 119 ILE H . 53742 1 186 . 1 . 1 119 119 ILE N N 15 122.6385843 . . 1 . . . . . 119 ILE N . 53742 1 187 . 1 . 1 121 121 GLN H H 1 7.445154926 . . 1 . . . . . 121 GLN H . 53742 1 188 . 1 . 1 121 121 GLN N N 15 118.3818828 . . 1 . . . . . 121 GLN N . 53742 1 189 . 1 . 1 122 122 ALA H H 1 7.585322493 . . 1 . . . . . 122 ALA H . 53742 1 190 . 1 . 1 122 122 ALA N N 15 122.7235036 . . 1 . . . . . 122 ALA N . 53742 1 191 . 1 . 1 123 123 LEU H H 1 8.41462666 . . 1 . . . . . 123 LEU H . 53742 1 192 . 1 . 1 123 123 LEU N N 15 118.9023561 . . 1 . . . . . 123 LEU N . 53742 1 193 . 1 . 1 125 125 GLN H H 1 7.977276214 . . 1 . . . . . 125 GLN H . 53742 1 194 . 1 . 1 125 125 GLN N N 15 119.8163788 . . 1 . . . . . 125 GLN N . 53742 1 195 . 1 . 1 126 126 LEU H H 1 7.38982327 . . 1 . . . . . 126 LEU H . 53742 1 196 . 1 . 1 126 126 LEU N N 15 119.612367 . . 1 . . . . . 126 LEU N . 53742 1 197 . 1 . 1 127 127 ALA H H 1 7.407647521 . . 1 . . . . . 127 ALA H . 53742 1 198 . 1 . 1 127 127 ALA N N 15 120.5136542 . . 1 . . . . . 127 ALA N . 53742 1 199 . 1 . 1 128 128 LEU H H 1 7.597614638 . . 1 . . . . . 128 LEU H . 53742 1 200 . 1 . 1 128 128 LEU N N 15 119.2850592 . . 1 . . . . . 128 LEU N . 53742 1 201 . 1 . 1 129 129 GLU H H 1 7.97917637 . . 1 . . . . . 129 GLU H . 53742 1 202 . 1 . 1 129 129 GLU N N 15 120.5325733 . . 1 . . . . . 129 GLU N . 53742 1 203 . 1 . 1 130 130 ALA H H 1 8.070821158 . . 1 . . . . . 130 ALA H . 53742 1 204 . 1 . 1 130 130 ALA N N 15 122.7068082 . . 1 . . . . . 130 ALA N . 53742 1 205 . 1 . 1 131 131 LYS H H 1 7.542551605 . . 1 . . . . . 131 LYS H . 53742 1 206 . 1 . 1 131 131 LYS N N 15 117.8861228 . . 1 . . . . . 131 LYS N . 53742 1 207 . 1 . 1 132 132 GLY H H 1 7.869573162 . . 1 . . . . . 132 GLY H . 53742 1 208 . 1 . 1 132 132 GLY N N 15 109.0431208 . . 1 . . . . . 132 GLY N . 53742 1 209 . 1 . 1 133 133 GLU H H 1 8.073281807 . . 1 . . . . . 133 GLU H . 53742 1 210 . 1 . 1 133 133 GLU N N 15 121.1641639 . . 1 . . . . . 133 GLU N . 53742 1 211 . 1 . 1 134 134 THR H H 1 7.654842712 . . 1 . . . . . 134 THR H . 53742 1 212 . 1 . 1 134 134 THR N N 15 120.3036957 . . 1 . . . . . 134 THR N . 53742 1 stop_ save_