################################### # 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 53749 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name CheA-P1 _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' . . . 53749 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' . 0.067 . 53749 1 na 'all 1H' . 0.004 . 53749 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 . . 53749 1 2 $software_2 . . 53749 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 8.006103034 . . 1 . . . . . 5 ILE H . 53749 1 2 . 1 . 1 5 5 ILE N N 15 121.9232979 . . 1 . . . . . 5 ILE N . 53749 1 3 . 1 . 1 6 6 SER H H 1 8.199673664 . . 1 . . . . . 6 SER H . 53749 1 4 . 1 . 1 6 6 SER N N 15 122.4967026 . . 1 . . . . . 6 SER N . 53749 1 5 . 1 . 1 7 7 ASP H H 1 8.132332475 . . 1 . . . . . 7 ASP H . 53749 1 6 . 1 . 1 7 7 ASP N N 15 122.8994884 . . 1 . . . . . 7 ASP N . 53749 1 7 . 1 . 1 8 8 PHE H H 1 7.794848365 . . 1 . . . . . 8 PHE H . 53749 1 8 . 1 . 1 8 8 PHE N N 15 120.0455113 . . 1 . . . . . 8 PHE N . 53749 1 9 . 1 . 1 9 9 TYR H H 1 7.519863955 . . 1 . . . . . 9 TYR H . 53749 1 10 . 1 . 1 9 9 TYR N N 15 119.1308066 . . 1 . . . . . 9 TYR N . 53749 1 11 . 1 . 1 10 10 GLN H H 1 7.744578441 . . 1 . . . . . 10 GLN H . 53749 1 12 . 1 . 1 10 10 GLN N N 15 118.4473448 . . 1 . . . . . 10 GLN N . 53749 1 13 . 1 . 1 11 11 THR H H 1 7.760073732 . . 1 . . . . . 11 THR H . 53749 1 14 . 1 . 1 11 11 THR N N 15 113.09237 . . 1 . . . . . 11 THR N . 53749 1 15 . 1 . 1 12 12 PHE H H 1 7.320330559 . . 1 . . . . . 12 PHE H . 53749 1 16 . 1 . 1 12 12 PHE N N 15 122.5289326 . . 1 . . . . . 12 PHE N . 53749 1 17 . 1 . 1 13 13 PHE H H 1 8.131511631 . . 1 . . . . . 13 PHE H . 53749 1 18 . 1 . 1 13 13 PHE N N 15 119.0520471 . . 1 . . . . . 13 PHE N . 53749 1 19 . 1 . 1 14 14 ASP H H 1 8.142912412 . . 1 . . . . . 14 ASP H . 53749 1 20 . 1 . 1 14 14 ASP N N 15 118.2013999 . . 1 . . . . . 14 ASP N . 53749 1 21 . 1 . 1 15 15 GLU H H 1 7.88700089 . . 1 . . . . . 15 GLU H . 53749 1 22 . 1 . 1 15 15 GLU N N 15 122.3101178 . . 1 . . . . . 15 GLU N . 53749 1 23 . 1 . 1 16 16 ALA H H 1 9.022267663 . . 1 . . . . . 16 ALA H . 53749 1 24 . 1 . 1 16 16 ALA N N 15 122.6800985 . . 1 . . . . . 16 ALA N . 53749 1 25 . 1 . 1 17 17 ASP H H 1 8.139172559 . . 1 . . . . . 17 ASP H . 53749 1 26 . 1 . 1 17 17 ASP N N 15 118.6264435 . . 1 . . . . . 17 ASP N . 53749 1 27 . 1 . 1 18 18 GLU H H 1 7.228279901 . . 1 . . . . . 18 GLU H . 53749 1 28 . 1 . 1 18 18 GLU N N 15 120.9377812 . . 1 . . . . . 18 GLU N . 53749 1 29 . 1 . 1 21 21 ALA H H 1 7.427929479 . . 1 . . . . . 21 ALA H . 53749 1 30 . 1 . 1 21 21 ALA N N 15 122.6425337 . . 1 . . . . . 21 ALA N . 53749 1 31 . 1 . 1 22 22 ASP H H 1 8.13310782 . . 1 . . . . . 22 ASP H . 53749 1 32 . 1 . 1 22 22 ASP N N 15 121.573898 . . 1 . . . . . 22 ASP N . 53749 1 33 . 1 . 1 24 24 GLU H H 1 7.985889122 . . 1 . . . . . 24 GLU H . 53749 1 34 . 1 . 1 24 24 GLU N N 15 118.6197792 . . 1 . . . . . 24 GLU N . 53749 1 35 . 1 . 1 25 25 GLN H H 1 7.666234381 . . 1 . . . . . 25 GLN H . 53749 1 36 . 1 . 1 25 25 GLN N N 15 115.9346442 . . 1 . . . . . 25 GLN N . 53749 1 37 . 1 . 1 27 27 LEU H H 1 8.32726803 . . 1 . . . . . 27 LEU H . 53749 1 38 . 1 . 1 27 27 LEU N N 15 120.2175991 . . 1 . . . . . 27 LEU N . 53749 1 39 . 1 . 1 28 28 LEU H H 1 7.781748168 . . 1 . . . . . 28 LEU H . 53749 1 40 . 1 . 1 28 28 LEU N N 15 115.5154731 . . 1 . . . . . 28 LEU N . 53749 1 41 . 1 . 1 29 29 VAL H H 1 6.937868947 . . 1 . . . . . 29 VAL H . 53749 1 42 . 1 . 1 29 29 VAL N N 15 109.3910785 . . 1 . . . . . 29 VAL N . 53749 1 43 . 1 . 1 30 30 LEU H H 1 7.099598215 . . 1 . . . . . 30 LEU H . 53749 1 44 . 1 . 1 30 30 LEU N N 15 126.2870102 . . 1 . . . . . 30 LEU N . 53749 1 45 . 1 . 1 31 31 GLN H H 1 8.749097675 . . 1 . . . . . 31 GLN H . 53749 1 46 . 1 . 1 31 31 GLN N N 15 127.1307581 . . 1 . . . . . 31 GLN N . 53749 1 47 . 1 . 1 33 33 GLU H H 1 8.614549449 . . 1 . . . . . 33 GLU H . 53749 1 48 . 1 . 1 33 33 GLU N N 15 114.1389014 . . 1 . . . . . 33 GLU N . 53749 1 49 . 1 . 1 34 34 ALA H H 1 7.188711319 . . 1 . . . . . 34 ALA H . 53749 1 50 . 1 . 1 34 34 ALA N N 15 121.5719924 . . 1 . . . . . 34 ALA N . 53749 1 51 . 1 . 1 36 36 ASP H H 1 8.236802017 . . 1 . . . . . 36 ASP H . 53749 1 52 . 1 . 1 36 36 ASP N N 15 125.8810715 . . 1 . . . . . 36 ASP N . 53749 1 53 . 1 . 1 37 37 ALA H H 1 8.790674881 . . 1 . . . . . 37 ALA H . 53749 1 54 . 1 . 1 37 37 ALA N N 15 130.3485063 . . 1 . . . . . 37 ALA N . 53749 1 55 . 1 . 1 38 38 GLU H H 1 8.196314848 . . 1 . . . . . 38 GLU H . 53749 1 56 . 1 . 1 38 38 GLU N N 15 117.8512049 . . 1 . . . . . 38 GLU N . 53749 1 57 . 1 . 1 40 40 LEU H H 1 7.846600648 . . 1 . . . . . 40 LEU H . 53749 1 58 . 1 . 1 40 40 LEU N N 15 117.6598872 . . 1 . . . . . 40 LEU N . 53749 1 59 . 1 . 1 41 41 ASN H H 1 8.325467739 . . 1 . . . . . 41 ASN H . 53749 1 60 . 1 . 1 41 41 ASN N N 15 117.7326424 . . 1 . . . . . 41 ASN N . 53749 1 61 . 1 . 1 42 42 ALA H H 1 7.750715896 . . 1 . . . . . 42 ALA H . 53749 1 62 . 1 . 1 42 42 ALA N N 15 123.5164998 . . 1 . . . . . 42 ALA N . 53749 1 63 . 1 . 1 43 43 ILE H H 1 7.750665328 . . 1 . . . . . 43 ILE H . 53749 1 64 . 1 . 1 43 43 ILE N N 15 120.576849 . . 1 . . . . . 43 ILE N . 53749 1 65 . 1 . 1 45 45 ARG H H 1 8.716445497 . . 1 . . . . . 45 ARG H . 53749 1 66 . 1 . 1 45 45 ARG N N 15 118.9186185 . . 1 . . . . . 45 ARG N . 53749 1 67 . 1 . 1 46 46 ALA H H 1 7.476913988 . . 1 . . . . . 46 ALA H . 53749 1 68 . 1 . 1 46 46 ALA N N 15 122.2107819 . . 1 . . . . . 46 ALA N . 53749 1 69 . 1 . 1 47 47 ALA H H 1 7.696984139 . . 1 . . . . . 47 ALA H . 53749 1 70 . 1 . 1 47 47 ALA N N 15 119.8499221 . . 1 . . . . . 47 ALA N . 53749 1 71 . 1 . 1 48 48 HIS H H 1 8.677650535 . . 1 . . . . . 48 HIS H . 53749 1 72 . 1 . 1 48 48 HIS N N 15 117.0131126 . . 1 . . . . . 48 HIS N . 53749 1 73 . 1 . 1 49 49 SER H H 1 8.216534612 . . 1 . . . . . 49 SER H . 53749 1 74 . 1 . 1 49 49 SER N N 15 116.9893259 . . 1 . . . . . 49 SER N . 53749 1 75 . 1 . 1 50 50 ILE H H 1 8.029507968 . . 1 . . . . . 50 ILE H . 53749 1 76 . 1 . 1 50 50 ILE N N 15 124.5048717 . . 1 . . . . . 50 ILE N . 53749 1 77 . 1 . 1 51 51 LYS H H 1 8.392610521 . . 1 . . . . . 51 LYS H . 53749 1 78 . 1 . 1 51 51 LYS N N 15 121.5535684 . . 1 . . . . . 51 LYS N . 53749 1 79 . 1 . 1 52 52 GLY H H 1 7.66715349 . . 1 . . . . . 52 GLY H . 53749 1 80 . 1 . 1 52 52 GLY N N 15 105.7328175 . . 1 . . . . . 52 GLY N . 53749 1 81 . 1 . 1 53 53 GLY H H 1 7.738095575 . . 1 . . . . . 53 GLY H . 53749 1 82 . 1 . 1 53 53 GLY N N 15 110.8055111 . . 1 . . . . . 53 GLY N . 53749 1 83 . 1 . 1 54 54 ALA H H 1 8.703415406 . . 1 . . . . . 54 ALA H . 53749 1 84 . 1 . 1 54 54 ALA N N 15 123.1022171 . . 1 . . . . . 54 ALA N . 53749 1 85 . 1 . 1 55 55 GLY H H 1 7.883389964 . . 1 . . . . . 55 GLY H . 53749 1 86 . 1 . 1 55 55 GLY N N 15 103.7618549 . . 1 . . . . . 55 GLY N . 53749 1 87 . 1 . 1 56 56 THR H H 1 7.437058922 . . 1 . . . . . 56 THR H . 53749 1 88 . 1 . 1 56 56 THR N N 15 120.5498433 . . 1 . . . . . 56 THR N . 53749 1 89 . 1 . 1 57 57 PHE H H 1 6.743528614 . . 1 . . . . . 57 PHE H . 53749 1 90 . 1 . 1 57 57 PHE N N 15 116.4454881 . . 1 . . . . . 57 PHE N . 53749 1 91 . 1 . 1 58 58 GLY H H 1 7.031230199 . . 1 . . . . . 58 GLY H . 53749 1 92 . 1 . 1 58 58 GLY N N 15 107.4568159 . . 1 . . . . . 58 GLY N . 53749 1 93 . 1 . 1 59 59 PHE H H 1 7.990211659 . . 1 . . . . . 59 PHE H . 53749 1 94 . 1 . 1 59 59 PHE N N 15 122.4053861 . . 1 . . . . . 59 PHE N . 53749 1 95 . 1 . 1 60 60 SER H H 1 7.83477688 . . 1 . . . . . 60 SER H . 53749 1 96 . 1 . 1 60 60 SER N N 15 119.4162583 . . 1 . . . . . 60 SER N . 53749 1 97 . 1 . 1 61 61 VAL H H 1 7.733095277 . . 1 . . . . . 61 VAL H . 53749 1 98 . 1 . 1 61 61 VAL N N 15 122.0444667 . . 1 . . . . . 61 VAL N . 53749 1 99 . 1 . 1 62 62 LEU H H 1 6.600595886 . . 1 . . . . . 62 LEU H . 53749 1 100 . 1 . 1 62 62 LEU N N 15 122.2423091 . . 1 . . . . . 62 LEU N . 53749 1 101 . 1 . 1 63 63 GLN H H 1 8.47405951 . . 1 . . . . . 63 GLN H . 53749 1 102 . 1 . 1 63 63 GLN N N 15 122.7859624 . . 1 . . . . . 63 GLN N . 53749 1 103 . 1 . 1 64 64 GLU H H 1 8.2156341 . . 1 . . . . . 64 GLU H . 53749 1 104 . 1 . 1 64 64 GLU N N 15 118.8437753 . . 1 . . . . . 64 GLU N . 53749 1 105 . 1 . 1 65 65 THR H H 1 7.928865207 . . 1 . . . . . 65 THR H . 53749 1 106 . 1 . 1 65 65 THR N N 15 116.6061755 . . 1 . . . . . 65 THR N . 53749 1 107 . 1 . 1 66 66 THR H H 1 8.02572674 . . 1 . . . . . 66 THR H . 53749 1 108 . 1 . 1 66 66 THR N N 15 113.1400337 . . 1 . . . . . 66 THR N . 53749 1 109 . 1 . 1 67 67 HIS H H 1 8.440777476 . . 1 . . . . . 67 HIS H . 53749 1 110 . 1 . 1 67 67 HIS N N 15 122.957842 . . 1 . . . . . 67 HIS N . 53749 1 111 . 1 . 1 68 68 LEU H H 1 7.605197398 . . 1 . . . . . 68 LEU H . 53749 1 112 . 1 . 1 68 68 LEU N N 15 117.7985466 . . 1 . . . . . 68 LEU N . 53749 1 113 . 1 . 1 69 69 MET H H 1 7.570150073 . . 1 . . . . . 69 MET H . 53749 1 114 . 1 . 1 69 69 MET N N 15 119.1848694 . . 1 . . . . . 69 MET N . 53749 1 115 . 1 . 1 70 70 GLU H H 1 9.274524404 . . 1 . . . . . 70 GLU H . 53749 1 116 . 1 . 1 70 70 GLU N N 15 121.4709569 . . 1 . . . . . 70 GLU N . 53749 1 117 . 1 . 1 71 71 ASN H H 1 7.868868528 . . 1 . . . . . 71 ASN H . 53749 1 118 . 1 . 1 71 71 ASN N N 15 117.1651165 . . 1 . . . . . 71 ASN N . 53749 1 119 . 1 . 1 72 72 LEU H H 1 7.088034602 . . 1 . . . . . 72 LEU H . 53749 1 120 . 1 . 1 72 72 LEU N N 15 119.7198402 . . 1 . . . . . 72 LEU N . 53749 1 121 . 1 . 1 74 74 ASP H H 1 8.641806552 . . 1 . . . . . 74 ASP H . 53749 1 122 . 1 . 1 74 74 ASP N N 15 120.4397615 . . 1 . . . . . 74 ASP N . 53749 1 123 . 1 . 1 76 76 ALA H H 1 8.214740694 . . 1 . . . . . 76 ALA H . 53749 1 124 . 1 . 1 76 76 ALA N N 15 121.1561958 . . 1 . . . . . 76 ALA N . 53749 1 125 . 1 . 1 77 77 ARG H H 1 8.637400431 . . 1 . . . . . 77 ARG H . 53749 1 126 . 1 . 1 77 77 ARG N N 15 119.8642109 . . 1 . . . . . 77 ARG N . 53749 1 127 . 1 . 1 79 79 GLY H H 1 7.645497966 . . 1 . . . . . 79 GLY H . 53749 1 128 . 1 . 1 79 79 GLY N N 15 107.9094434 . . 1 . . . . . 79 GLY N . 53749 1 129 . 1 . 1 80 80 GLU H H 1 7.821662474 . . 1 . . . . . 80 GLU H . 53749 1 130 . 1 . 1 80 80 GLU N N 15 118.1966123 . . 1 . . . . . 80 GLU N . 53749 1 131 . 1 . 1 81 81 MET H H 1 6.804998249 . . 1 . . . . . 81 MET H . 53749 1 132 . 1 . 1 81 81 MET N N 15 117.5865817 . . 1 . . . . . 81 MET N . 53749 1 133 . 1 . 1 82 82 GLN H H 1 8.523882731 . . 1 . . . . . 82 GLN H . 53749 1 134 . 1 . 1 82 82 GLN N N 15 126.3931069 . . 1 . . . . . 82 GLN N . 53749 1 135 . 1 . 1 84 84 ASN H H 1 6.489780033 . . 1 . . . . . 84 ASN H . 53749 1 136 . 1 . 1 84 84 ASN N N 15 111.8374607 . . 1 . . . . . 84 ASN N . 53749 1 137 . 1 . 1 86 86 ASP H H 1 7.800238059 . . 1 . . . . . 86 ASP H . 53749 1 138 . 1 . 1 86 86 ASP N N 15 122.3473897 . . 1 . . . . . 86 ASP N . 53749 1 139 . 1 . 1 87 87 ILE H H 1 8.199278522 . . 1 . . . . . 87 ILE H . 53749 1 140 . 1 . 1 87 87 ILE N N 15 123.0173502 . . 1 . . . . . 87 ILE N . 53749 1 141 . 1 . 1 88 88 ILE H H 1 7.586988348 . . 1 . . . . . 88 ILE H . 53749 1 142 . 1 . 1 88 88 ILE N N 15 119.8121674 . . 1 . . . . . 88 ILE N . 53749 1 143 . 1 . 1 89 89 ASN H H 1 8.270817082 . . 1 . . . . . 89 ASN H . 53749 1 144 . 1 . 1 89 89 ASN N N 15 118.4518449 . . 1 . . . . . 89 ASN N . 53749 1 145 . 1 . 1 90 90 LEU H H 1 7.778671029 . . 1 . . . . . 90 LEU H . 53749 1 146 . 1 . 1 90 90 LEU N N 15 124.8947887 . . 1 . . . . . 90 LEU N . 53749 1 147 . 1 . 1 91 91 PHE H H 1 8.693713988 . . 1 . . . . . 91 PHE H . 53749 1 148 . 1 . 1 91 91 PHE N N 15 123.7569049 . . 1 . . . . . 91 PHE N . 53749 1 149 . 1 . 1 92 92 LEU H H 1 8.592578866 . . 1 . . . . . 92 LEU H . 53749 1 150 . 1 . 1 92 92 LEU N N 15 123.0673755 . . 1 . . . . . 92 LEU N . 53749 1 151 . 1 . 1 93 93 GLU H H 1 8.243539918 . . 1 . . . . . 93 GLU H . 53749 1 152 . 1 . 1 93 93 GLU N N 15 121.8114007 . . 1 . . . . . 93 GLU N . 53749 1 153 . 1 . 1 94 94 THR H H 1 8.484288969 . . 1 . . . . . 94 THR H . 53749 1 154 . 1 . 1 94 94 THR N N 15 117.958954 . . 1 . . . . . 94 THR N . 53749 1 155 . 1 . 1 96 96 ASP H H 1 7.821143627 . . 1 . . . . . 96 ASP H . 53749 1 156 . 1 . 1 96 96 ASP N N 15 121.1542172 . . 1 . . . . . 96 ASP N . 53749 1 157 . 1 . 1 98 98 MET H H 1 9.053109938 . . 1 . . . . . 98 MET H . 53749 1 158 . 1 . 1 98 98 MET N N 15 122.3964879 . . 1 . . . . . 98 MET N . 53749 1 159 . 1 . 1 99 99 GLN H H 1 8.219500426 . . 1 . . . . . 99 GLN H . 53749 1 160 . 1 . 1 99 99 GLN N N 15 119.3903171 . . 1 . . . . . 99 GLN N . 53749 1 161 . 1 . 1 100 100 GLU H H 1 7.642729356 . . 1 . . . . . 100 GLU H . 53749 1 162 . 1 . 1 100 100 GLU N N 15 119.6840737 . . 1 . . . . . 100 GLU N . 53749 1 163 . 1 . 1 103 103 ASP H H 1 8.448239108 . . 1 . . . . . 103 ASP H . 53749 1 164 . 1 . 1 103 103 ASP N N 15 118.3068368 . . 1 . . . . . 103 ASP N . 53749 1 165 . 1 . 1 104 104 ALA H H 1 7.547008429 . . 1 . . . . . 104 ALA H . 53749 1 166 . 1 . 1 104 104 ALA N N 15 124.7497286 . . 1 . . . . . 104 ALA N . 53749 1 167 . 1 . 1 105 105 TYR H H 1 7.679539882 . . 1 . . . . . 105 TYR H . 53749 1 168 . 1 . 1 105 105 TYR N N 15 119.41396 . . 1 . . . . . 105 TYR N . 53749 1 169 . 1 . 1 107 107 GLN H H 1 7.071884326 . . 1 . . . . . 107 GLN H . 53749 1 170 . 1 . 1 107 107 GLN N N 15 115.9269864 . . 1 . . . . . 107 GLN N . 53749 1 171 . 1 . 1 108 108 SER H H 1 7.984775576 . . 1 . . . . . 108 SER H . 53749 1 172 . 1 . 1 108 108 SER N N 15 113.5012288 . . 1 . . . . . 108 SER N . 53749 1 173 . 1 . 1 109 109 GLN H H 1 8.004130247 . . 1 . . . . . 109 GLN H . 53749 1 174 . 1 . 1 109 109 GLN N N 15 118.1650197 . . 1 . . . . . 109 GLN N . 53749 1 175 . 1 . 1 110 110 GLU H H 1 8.163777651 . . 1 . . . . . 110 GLU H . 53749 1 176 . 1 . 1 110 110 GLU N N 15 120.7694413 . . 1 . . . . . 110 GLU N . 53749 1 177 . 1 . 1 113 113 ALA H H 1 8.708361426 . . 1 . . . . . 113 ALA H . 53749 1 178 . 1 . 1 113 113 ALA N N 15 132.817893 . . 1 . . . . . 113 ALA N . 53749 1 179 . 1 . 1 114 114 ALA H H 1 8.160112395 . . 1 . . . . . 114 ALA H . 53749 1 180 . 1 . 1 114 114 ALA N N 15 121.7948995 . . 1 . . . . . 114 ALA N . 53749 1 181 . 1 . 1 115 115 SER H H 1 8.270258428 . . 1 . . . . . 115 SER H . 53749 1 182 . 1 . 1 115 115 SER N N 15 116.6592545 . . 1 . . . . . 115 SER N . 53749 1 183 . 1 . 1 116 116 PHE H H 1 7.120988361 . . 1 . . . . . 116 PHE H . 53749 1 184 . 1 . 1 116 116 PHE N N 15 122.9903896 . . 1 . . . . . 116 PHE N . 53749 1 185 . 1 . 1 118 118 TYR H H 1 7.841269358 . . 1 . . . . . 118 TYR H . 53749 1 186 . 1 . 1 118 118 TYR N N 15 118.9937438 . . 1 . . . . . 118 TYR N . 53749 1 187 . 1 . 1 119 119 ILE H H 1 8.283965758 . . 1 . . . . . 119 ILE H . 53749 1 188 . 1 . 1 119 119 ILE N N 15 122.667549 . . 1 . . . . . 119 ILE N . 53749 1 189 . 1 . 1 121 121 GLN H H 1 7.449353267 . . 1 . . . . . 121 GLN H . 53749 1 190 . 1 . 1 121 121 GLN N N 15 118.3333875 . . 1 . . . . . 121 GLN N . 53749 1 191 . 1 . 1 122 122 ALA H H 1 7.567370075 . . 1 . . . . . 122 ALA H . 53749 1 192 . 1 . 1 122 122 ALA N N 15 122.6866351 . . 1 . . . . . 122 ALA N . 53749 1 193 . 1 . 1 123 123 LEU H H 1 8.404097864 . . 1 . . . . . 123 LEU H . 53749 1 194 . 1 . 1 123 123 LEU N N 15 118.8063929 . . 1 . . . . . 123 LEU N . 53749 1 195 . 1 . 1 125 125 GLN H H 1 7.947112183 . . 1 . . . . . 125 GLN H . 53749 1 196 . 1 . 1 125 125 GLN N N 15 119.6974665 . . 1 . . . . . 125 GLN N . 53749 1 197 . 1 . 1 126 126 LEU H H 1 7.355471079 . . 1 . . . . . 126 LEU H . 53749 1 198 . 1 . 1 126 126 LEU N N 15 119.4341416 . . 1 . . . . . 126 LEU N . 53749 1 199 . 1 . 1 127 127 ALA H H 1 7.368474842 . . 1 . . . . . 127 ALA H . 53749 1 200 . 1 . 1 127 127 ALA N N 15 120.3620332 . . 1 . . . . . 127 ALA N . 53749 1 201 . 1 . 1 128 128 LEU H H 1 7.598064981 . . 1 . . . . . 128 LEU H . 53749 1 202 . 1 . 1 128 128 LEU N N 15 119.0999156 . . 1 . . . . . 128 LEU N . 53749 1 203 . 1 . 1 129 129 GLU H H 1 7.994918369 . . 1 . . . . . 129 GLU H . 53749 1 204 . 1 . 1 129 129 GLU N N 15 120.5624325 . . 1 . . . . . 129 GLU N . 53749 1 205 . 1 . 1 130 130 ALA H H 1 8.065040183 . . 1 . . . . . 130 ALA H . 53749 1 206 . 1 . 1 130 130 ALA N N 15 122.8185733 . . 1 . . . . . 130 ALA N . 53749 1 207 . 1 . 1 131 131 LYS H H 1 7.57211586 . . 1 . . . . . 131 LYS H . 53749 1 208 . 1 . 1 131 131 LYS N N 15 118.0159074 . . 1 . . . . . 131 LYS N . 53749 1 209 . 1 . 1 132 132 GLY H H 1 7.88507073 . . 1 . . . . . 132 GLY H . 53749 1 210 . 1 . 1 132 132 GLY N N 15 109.1120731 . . 1 . . . . . 132 GLY N . 53749 1 211 . 1 . 1 133 133 GLU H H 1 8.105287466 . . 1 . . . . . 133 GLU H . 53749 1 212 . 1 . 1 133 133 GLU N N 15 121.1962735 . . 1 . . . . . 133 GLU N . 53749 1 213 . 1 . 1 134 134 THR H H 1 7.661982368 . . 1 . . . . . 134 THR H . 53749 1 214 . 1 . 1 134 134 THR N N 15 120.375499 . . 1 . . . . . 134 THR N . 53749 1 stop_ save_