################################### # 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_sample_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_sample_1 _Assigned_chem_shift_list.Entry_ID 53747 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'CheA-P1 with 2%PEG and 420uM ZnCl2' _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' . . . 53747 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 . . 53747 1 2 $software_2 . . 53747 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 8.029297422 . . 1 . . . . . 5 ILE H . 53747 1 2 . 1 . 1 5 5 ILE N N 15 122.0891961 . . 1 . . . . . 5 ILE N . 53747 1 3 . 1 . 1 6 6 SER H H 1 8.224773732 . . 1 . . . . . 6 SER H . 53747 1 4 . 1 . 1 6 6 SER N N 15 122.7243731 . . 1 . . . . . 6 SER N . 53747 1 5 . 1 . 1 7 7 ASP H H 1 8.127659324 . . 1 . . . . . 7 ASP H . 53747 1 6 . 1 . 1 7 7 ASP N N 15 122.9604338 . . 1 . . . . . 7 ASP N . 53747 1 7 . 1 . 1 8 8 PHE H H 1 7.793256126 . . 1 . . . . . 8 PHE H . 53747 1 8 . 1 . 1 8 8 PHE N N 15 120.1083862 . . 1 . . . . . 8 PHE N . 53747 1 9 . 1 . 1 9 9 TYR H H 1 7.526979285 . . 1 . . . . . 9 TYR H . 53747 1 10 . 1 . 1 9 9 TYR N N 15 119.107372 . . 1 . . . . . 9 TYR N . 53747 1 11 . 1 . 1 10 10 GLN H H 1 7.75389726 . . 1 . . . . . 10 GLN H . 53747 1 12 . 1 . 1 10 10 GLN N N 15 118.3783727 . . 1 . . . . . 10 GLN N . 53747 1 13 . 1 . 1 11 11 THR H H 1 7.763328485 . . 1 . . . . . 11 THR H . 53747 1 14 . 1 . 1 11 11 THR N N 15 113.2706178 . . 1 . . . . . 11 THR N . 53747 1 15 . 1 . 1 12 12 PHE H H 1 7.306893902 . . 1 . . . . . 12 PHE H . 53747 1 16 . 1 . 1 12 12 PHE N N 15 122.5823031 . . 1 . . . . . 12 PHE N . 53747 1 17 . 1 . 1 13 13 PHE H H 1 8.149675615 . . 1 . . . . . 13 PHE H . 53747 1 18 . 1 . 1 13 13 PHE N N 15 119.0556152 . . 1 . . . . . 13 PHE N . 53747 1 19 . 1 . 1 14 14 ASP H H 1 8.147757253 . . 1 . . . . . 14 ASP H . 53747 1 20 . 1 . 1 14 14 ASP N N 15 118.2564942 . . 1 . . . . . 14 ASP N . 53747 1 21 . 1 . 1 15 15 GLU H H 1 7.897504133 . . 1 . . . . . 15 GLU H . 53747 1 22 . 1 . 1 15 15 GLU N N 15 122.3355479 . . 1 . . . . . 15 GLU N . 53747 1 23 . 1 . 1 16 16 ALA H H 1 9.032991701 . . 1 . . . . . 16 ALA H . 53747 1 24 . 1 . 1 16 16 ALA N N 15 122.7505246 . . 1 . . . . . 16 ALA N . 53747 1 25 . 1 . 1 17 17 ASP H H 1 8.136331558 . . 1 . . . . . 17 ASP H . 53747 1 26 . 1 . 1 17 17 ASP N N 15 118.7214966 . . 1 . . . . . 17 ASP N . 53747 1 27 . 1 . 1 18 18 GLU H H 1 7.232731092 . . 1 . . . . . 18 GLU H . 53747 1 28 . 1 . 1 18 18 GLU N N 15 120.9516578 . . 1 . . . . . 18 GLU N . 53747 1 29 . 1 . 1 21 21 ALA H H 1 7.435164117 . . 1 . . . . . 21 ALA H . 53747 1 30 . 1 . 1 21 21 ALA N N 15 122.7313472 . . 1 . . . . . 21 ALA N . 53747 1 31 . 1 . 1 22 22 ASP H H 1 8.153922486 . . 1 . . . . . 22 ASP H . 53747 1 32 . 1 . 1 22 22 ASP N N 15 121.6572155 . . 1 . . . . . 22 ASP N . 53747 1 33 . 1 . 1 24 24 GLU H H 1 7.986879792 . . 1 . . . . . 24 GLU H . 53747 1 34 . 1 . 1 24 24 GLU N N 15 118.6669317 . . 1 . . . . . 24 GLU N . 53747 1 35 . 1 . 1 25 25 GLN H H 1 7.668456328 . . 1 . . . . . 25 GLN H . 53747 1 36 . 1 . 1 25 25 GLN N N 15 116.077871 . . 1 . . . . . 25 GLN N . 53747 1 37 . 1 . 1 27 27 LEU H H 1 8.329596903 . . 1 . . . . . 27 LEU H . 53747 1 38 . 1 . 1 27 27 LEU N N 15 120.2606356 . . 1 . . . . . 27 LEU N . 53747 1 39 . 1 . 1 28 28 LEU H H 1 7.787932961 . . 1 . . . . . 28 LEU H . 53747 1 40 . 1 . 1 28 28 LEU N N 15 115.6665622 . . 1 . . . . . 28 LEU N . 53747 1 41 . 1 . 1 29 29 VAL H H 1 6.941557962 . . 1 . . . . . 29 VAL H . 53747 1 42 . 1 . 1 29 29 VAL N N 15 109.6157094 . . 1 . . . . . 29 VAL N . 53747 1 43 . 1 . 1 30 30 LEU H H 1 7.091053761 . . 1 . . . . . 30 LEU H . 53747 1 44 . 1 . 1 30 30 LEU N N 15 126.1043086 . . 1 . . . . . 30 LEU N . 53747 1 45 . 1 . 1 31 31 GLN H H 1 8.751733696 . . 1 . . . . . 31 GLN H . 53747 1 46 . 1 . 1 31 31 GLN N N 15 127.0846656 . . 1 . . . . . 31 GLN N . 53747 1 47 . 1 . 1 33 33 GLU H H 1 8.613766668 . . 1 . . . . . 33 GLU H . 53747 1 48 . 1 . 1 33 33 GLU N N 15 114.2148607 . . 1 . . . . . 33 GLU N . 53747 1 49 . 1 . 1 34 34 ALA H H 1 7.19777095 . . 1 . . . . . 34 ALA H . 53747 1 50 . 1 . 1 34 34 ALA N N 15 121.6447457 . . 1 . . . . . 34 ALA N . 53747 1 51 . 1 . 1 36 36 ASP H H 1 8.207306721 . . 1 . . . . . 36 ASP H . 53747 1 52 . 1 . 1 36 36 ASP N N 15 125.8519705 . . 1 . . . . . 36 ASP N . 53747 1 53 . 1 . 1 37 37 ALA H H 1 8.799612301 . . 1 . . . . . 37 ALA H . 53747 1 54 . 1 . 1 37 37 ALA N N 15 130.46561 . . 1 . . . . . 37 ALA N . 53747 1 55 . 1 . 1 38 38 GLU H H 1 8.211672743 . . 1 . . . . . 38 GLU H . 53747 1 56 . 1 . 1 38 38 GLU N N 15 117.8820336 . . 1 . . . . . 38 GLU N . 53747 1 57 . 1 . 1 40 40 LEU H H 1 7.831580428 . . 1 . . . . . 40 LEU H . 53747 1 58 . 1 . 1 40 40 LEU N N 15 117.7130309 . . 1 . . . . . 40 LEU N . 53747 1 59 . 1 . 1 41 41 ASN H H 1 8.348952395 . . 1 . . . . . 41 ASN H . 53747 1 60 . 1 . 1 41 41 ASN N N 15 117.8318822 . . 1 . . . . . 41 ASN N . 53747 1 61 . 1 . 1 42 42 ALA H H 1 7.721093486 . . 1 . . . . . 42 ALA H . 53747 1 62 . 1 . 1 42 42 ALA N N 15 123.4042855 . . 1 . . . . . 42 ALA N . 53747 1 63 . 1 . 1 43 43 ILE H H 1 7.741511333 . . 1 . . . . . 43 ILE H . 53747 1 64 . 1 . 1 43 43 ILE N N 15 120.5717747 . . 1 . . . . . 43 ILE N . 53747 1 65 . 1 . 1 45 45 ARG H H 1 8.726037976 . . 1 . . . . . 45 ARG H . 53747 1 66 . 1 . 1 45 45 ARG N N 15 118.9394006 . . 1 . . . . . 45 ARG N . 53747 1 67 . 1 . 1 46 46 ALA H H 1 7.475008293 . . 1 . . . . . 46 ALA H . 53747 1 68 . 1 . 1 46 46 ALA N N 15 122.2897866 . . 1 . . . . . 46 ALA N . 53747 1 69 . 1 . 1 47 47 ALA H H 1 7.715747753 . . 1 . . . . . 47 ALA H . 53747 1 70 . 1 . 1 47 47 ALA N N 15 119.9334911 . . 1 . . . . . 47 ALA N . 53747 1 71 . 1 . 1 48 48 HIS H H 1 8.693879316 . . 1 . . . . . 48 HIS H . 53747 1 72 . 1 . 1 48 48 HIS N N 15 116.9838857 . . 1 . . . . . 48 HIS N . 53747 1 73 . 1 . 1 49 49 SER H H 1 8.209003272 . . 1 . . . . . 49 SER H . 53747 1 74 . 1 . 1 49 49 SER N N 15 117.1223823 . . 1 . . . . . 49 SER N . 53747 1 75 . 1 . 1 50 50 ILE H H 1 8.019857943 . . 1 . . . . . 50 ILE H . 53747 1 76 . 1 . 1 50 50 ILE N N 15 124.5299564 . . 1 . . . . . 50 ILE N . 53747 1 77 . 1 . 1 51 51 LYS H H 1 8.383570991 . . 1 . . . . . 51 LYS H . 53747 1 78 . 1 . 1 51 51 LYS N N 15 121.5967126 . . 1 . . . . . 51 LYS N . 53747 1 79 . 1 . 1 52 52 GLY H H 1 7.652164198 . . 1 . . . . . 52 GLY H . 53747 1 80 . 1 . 1 52 52 GLY N N 15 105.6997499 . . 1 . . . . . 52 GLY N . 53747 1 81 . 1 . 1 53 53 GLY H H 1 7.735518345 . . 1 . . . . . 53 GLY H . 53747 1 82 . 1 . 1 53 53 GLY N N 15 110.805027 . . 1 . . . . . 53 GLY N . 53747 1 83 . 1 . 1 54 54 ALA H H 1 8.706203808 . . 1 . . . . . 54 ALA H . 53747 1 84 . 1 . 1 54 54 ALA N N 15 123.1672847 . . 1 . . . . . 54 ALA N . 53747 1 85 . 1 . 1 55 55 GLY H H 1 7.896401762 . . 1 . . . . . 55 GLY H . 53747 1 86 . 1 . 1 55 55 GLY N N 15 103.8542976 . . 1 . . . . . 55 GLY N . 53747 1 87 . 1 . 1 56 56 THR H H 1 7.441457799 . . 1 . . . . . 56 THR H . 53747 1 88 . 1 . 1 56 56 THR N N 15 120.6080777 . . 1 . . . . . 56 THR N . 53747 1 89 . 1 . 1 57 57 PHE H H 1 6.738893828 . . 1 . . . . . 57 PHE H . 53747 1 90 . 1 . 1 57 57 PHE N N 15 116.3768626 . . 1 . . . . . 57 PHE N . 53747 1 91 . 1 . 1 58 58 GLY H H 1 7.037470011 . . 1 . . . . . 58 GLY H . 53747 1 92 . 1 . 1 58 58 GLY N N 15 107.5026709 . . 1 . . . . . 58 GLY N . 53747 1 93 . 1 . 1 59 59 PHE H H 1 7.998077256 . . 1 . . . . . 59 PHE H . 53747 1 94 . 1 . 1 59 59 PHE N N 15 122.4696512 . . 1 . . . . . 59 PHE N . 53747 1 95 . 1 . 1 60 60 SER H H 1 7.834977917 . . 1 . . . . . 60 SER H . 53747 1 96 . 1 . 1 60 60 SER N N 15 119.5058926 . . 1 . . . . . 60 SER N . 53747 1 97 . 1 . 1 61 61 VAL H H 1 7.741288268 . . 1 . . . . . 61 VAL H . 53747 1 98 . 1 . 1 61 61 VAL N N 15 122.1559065 . . 1 . . . . . 61 VAL N . 53747 1 99 . 1 . 1 62 62 LEU H H 1 6.602893745 . . 1 . . . . . 62 LEU H . 53747 1 100 . 1 . 1 62 62 LEU N N 15 122.3241108 . . 1 . . . . . 62 LEU N . 53747 1 101 . 1 . 1 63 63 GLN H H 1 8.479755524 . . 1 . . . . . 63 GLN H . 53747 1 102 . 1 . 1 63 63 GLN N N 15 122.8926986 . . 1 . . . . . 63 GLN N . 53747 1 103 . 1 . 1 64 64 GLU H H 1 8.22390063 . . 1 . . . . . 64 GLU H . 53747 1 104 . 1 . 1 64 64 GLU N N 15 118.9544229 . . 1 . . . . . 64 GLU N . 53747 1 105 . 1 . 1 65 65 THR H H 1 7.932256359 . . 1 . . . . . 65 THR H . 53747 1 106 . 1 . 1 65 65 THR N N 15 116.6802626 . . 1 . . . . . 65 THR N . 53747 1 107 . 1 . 1 66 66 THR H H 1 8.031812157 . . 1 . . . . . 66 THR H . 53747 1 108 . 1 . 1 66 66 THR N N 15 113.2705019 . . 1 . . . . . 66 THR N . 53747 1 109 . 1 . 1 67 67 HIS H H 1 8.446684386 . . 1 . . . . . 67 HIS H . 53747 1 110 . 1 . 1 67 67 HIS N N 15 122.9606227 . . 1 . . . . . 67 HIS N . 53747 1 111 . 1 . 1 68 68 LEU H H 1 7.624280295 . . 1 . . . . . 68 LEU H . 53747 1 112 . 1 . 1 68 68 LEU N N 15 117.9453433 . . 1 . . . . . 68 LEU N . 53747 1 113 . 1 . 1 69 69 MET H H 1 7.582533115 . . 1 . . . . . 69 MET H . 53747 1 114 . 1 . 1 69 69 MET N N 15 119.0279421 . . 1 . . . . . 69 MET N . 53747 1 115 . 1 . 1 70 70 GLU H H 1 9.27390917 . . 1 . . . . . 70 GLU H . 53747 1 116 . 1 . 1 70 70 GLU N N 15 121.4587129 . . 1 . . . . . 70 GLU N . 53747 1 117 . 1 . 1 71 71 ASN H H 1 7.867023478 . . 1 . . . . . 71 ASN H . 53747 1 118 . 1 . 1 71 71 ASN N N 15 117.3565297 . . 1 . . . . . 71 ASN N . 53747 1 119 . 1 . 1 72 72 LEU H H 1 7.08600423 . . 1 . . . . . 72 LEU H . 53747 1 120 . 1 . 1 72 72 LEU N N 15 119.7917249 . . 1 . . . . . 72 LEU N . 53747 1 121 . 1 . 1 74 74 ASP H H 1 8.650225266 . . 1 . . . . . 74 ASP H . 53747 1 122 . 1 . 1 74 74 ASP N N 15 120.4954096 . . 1 . . . . . 74 ASP N . 53747 1 123 . 1 . 1 76 76 ALA H H 1 8.216809097 . . 1 . . . . . 76 ALA H . 53747 1 124 . 1 . 1 76 76 ALA N N 15 121.1747232 . . 1 . . . . . 76 ALA N . 53747 1 125 . 1 . 1 77 77 ARG H H 1 8.648246828 . . 1 . . . . . 77 ARG H . 53747 1 126 . 1 . 1 77 77 ARG N N 15 120.0077604 . . 1 . . . . . 77 ARG N . 53747 1 127 . 1 . 1 79 79 GLY H H 1 7.637691278 . . 1 . . . . . 79 GLY H . 53747 1 128 . 1 . 1 79 79 GLY N N 15 107.9436702 . . 1 . . . . . 79 GLY N . 53747 1 129 . 1 . 1 80 80 GLU H H 1 7.833658227 . . 1 . . . . . 80 GLU H . 53747 1 130 . 1 . 1 80 80 GLU N N 15 118.2744182 . . 1 . . . . . 80 GLU N . 53747 1 131 . 1 . 1 81 81 MET H H 1 6.807480317 . . 1 . . . . . 81 MET H . 53747 1 132 . 1 . 1 81 81 MET N N 15 117.5616851 . . 1 . . . . . 81 MET N . 53747 1 133 . 1 . 1 82 82 GLN H H 1 8.521114247 . . 1 . . . . . 82 GLN H . 53747 1 134 . 1 . 1 82 82 GLN N N 15 126.5082704 . . 1 . . . . . 82 GLN N . 53747 1 135 . 1 . 1 84 84 ASN H H 1 6.490672954 . . 1 . . . . . 84 ASN H . 53747 1 136 . 1 . 1 84 84 ASN N N 15 111.9220885 . . 1 . . . . . 84 ASN N . 53747 1 137 . 1 . 1 86 86 ASP H H 1 7.807543071 . . 1 . . . . . 86 ASP H . 53747 1 138 . 1 . 1 86 86 ASP N N 15 122.433581 . . 1 . . . . . 86 ASP N . 53747 1 139 . 1 . 1 87 87 ILE H H 1 8.202438568 . . 1 . . . . . 87 ILE H . 53747 1 140 . 1 . 1 87 87 ILE N N 15 123.0012256 . . 1 . . . . . 87 ILE N . 53747 1 141 . 1 . 1 88 88 ILE H H 1 7.590547169 . . 1 . . . . . 88 ILE H . 53747 1 142 . 1 . 1 88 88 ILE N N 15 119.8840866 . . 1 . . . . . 88 ILE N . 53747 1 143 . 1 . 1 89 89 ASN H H 1 8.277310903 . . 1 . . . . . 89 ASN H . 53747 1 144 . 1 . 1 89 89 ASN N N 15 118.4935669 . . 1 . . . . . 89 ASN N . 53747 1 145 . 1 . 1 90 90 LEU H H 1 7.787252167 . . 1 . . . . . 90 LEU H . 53747 1 146 . 1 . 1 90 90 LEU N N 15 124.9609191 . . 1 . . . . . 90 LEU N . 53747 1 147 . 1 . 1 91 91 PHE H H 1 8.689479286 . . 1 . . . . . 91 PHE H . 53747 1 148 . 1 . 1 91 91 PHE N N 15 123.7852685 . . 1 . . . . . 91 PHE N . 53747 1 149 . 1 . 1 92 92 LEU H H 1 8.591648196 . . 1 . . . . . 92 LEU H . 53747 1 150 . 1 . 1 92 92 LEU N N 15 123.066277 . . 1 . . . . . 92 LEU N . 53747 1 151 . 1 . 1 93 93 GLU H H 1 8.253528687 . . 1 . . . . . 93 GLU H . 53747 1 152 . 1 . 1 93 93 GLU N N 15 121.8660738 . . 1 . . . . . 93 GLU N . 53747 1 153 . 1 . 1 94 94 THR H H 1 8.485514268 . . 1 . . . . . 94 THR H . 53747 1 154 . 1 . 1 94 94 THR N N 15 117.993034 . . 1 . . . . . 94 THR N . 53747 1 155 . 1 . 1 96 96 ASP H H 1 7.839781293 . . 1 . . . . . 96 ASP H . 53747 1 156 . 1 . 1 96 96 ASP N N 15 121.2708076 . . 1 . . . . . 96 ASP N . 53747 1 157 . 1 . 1 98 98 MET H H 1 9.050422353 . . 1 . . . . . 98 MET H . 53747 1 158 . 1 . 1 98 98 MET N N 15 122.4978447 . . 1 . . . . . 98 MET N . 53747 1 159 . 1 . 1 99 99 GLN H H 1 8.220551476 . . 1 . . . . . 99 GLN H . 53747 1 160 . 1 . 1 99 99 GLN N N 15 119.2973148 . . 1 . . . . . 99 GLN N . 53747 1 161 . 1 . 1 100 100 GLU H H 1 7.64612879 . . 1 . . . . . 100 GLU H . 53747 1 162 . 1 . 1 100 100 GLU N N 15 119.7234102 . . 1 . . . . . 100 GLU N . 53747 1 163 . 1 . 1 103 103 ASP H H 1 8.450359166 . . 1 . . . . . 103 ASP H . 53747 1 164 . 1 . 1 103 103 ASP N N 15 118.3357556 . . 1 . . . . . 103 ASP N . 53747 1 165 . 1 . 1 104 104 ALA H H 1 7.540928028 . . 1 . . . . . 104 ALA H . 53747 1 166 . 1 . 1 104 104 ALA N N 15 124.8057358 . . 1 . . . . . 104 ALA N . 53747 1 167 . 1 . 1 105 105 TYR H H 1 7.676861034 . . 1 . . . . . 105 TYR H . 53747 1 168 . 1 . 1 105 105 TYR N N 15 119.4778053 . . 1 . . . . . 105 TYR N . 53747 1 169 . 1 . 1 107 107 GLN H H 1 7.069787639 . . 1 . . . . . 107 GLN H . 53747 1 170 . 1 . 1 107 107 GLN N N 15 115.965865 . . 1 . . . . . 107 GLN N . 53747 1 171 . 1 . 1 108 108 SER H H 1 7.985525205 . . 1 . . . . . 108 SER H . 53747 1 172 . 1 . 1 108 108 SER N N 15 113.5653535 . . 1 . . . . . 108 SER N . 53747 1 173 . 1 . 1 109 109 GLN H H 1 8.00054205 . . 1 . . . . . 109 GLN H . 53747 1 174 . 1 . 1 109 109 GLN N N 15 118.1900489 . . 1 . . . . . 109 GLN N . 53747 1 175 . 1 . 1 110 110 GLU H H 1 8.1649989 . . 1 . . . . . 110 GLU H . 53747 1 176 . 1 . 1 110 110 GLU N N 15 120.8391056 . . 1 . . . . . 110 GLU N . 53747 1 177 . 1 . 1 113 113 ALA H H 1 8.714624918 . . 1 . . . . . 113 ALA H . 53747 1 178 . 1 . 1 113 113 ALA N N 15 132.9665173 . . 1 . . . . . 113 ALA N . 53747 1 179 . 1 . 1 114 114 ALA H H 1 8.164525918 . . 1 . . . . . 114 ALA H . 53747 1 180 . 1 . 1 114 114 ALA N N 15 121.7897903 . . 1 . . . . . 114 ALA N . 53747 1 181 . 1 . 1 115 115 SER H H 1 8.25972374 . . 1 . . . . . 115 SER H . 53747 1 182 . 1 . 1 115 115 SER N N 15 116.6668596 . . 1 . . . . . 115 SER N . 53747 1 183 . 1 . 1 116 116 PHE H H 1 7.124303561 . . 1 . . . . . 116 PHE H . 53747 1 184 . 1 . 1 116 116 PHE N N 15 123.1187141 . . 1 . . . . . 116 PHE N . 53747 1 185 . 1 . 1 118 118 TYR H H 1 7.836632153 . . 1 . . . . . 118 TYR H . 53747 1 186 . 1 . 1 118 118 TYR N N 15 119.004893 . . 1 . . . . . 118 TYR N . 53747 1 187 . 1 . 1 119 119 ILE H H 1 8.278251539 . . 1 . . . . . 119 ILE H . 53747 1 188 . 1 . 1 119 119 ILE N N 15 122.7243677 . . 1 . . . . . 119 ILE N . 53747 1 189 . 1 . 1 121 121 GLN H H 1 7.442326448 . . 1 . . . . . 121 GLN H . 53747 1 190 . 1 . 1 121 121 GLN N N 15 118.4036883 . . 1 . . . . . 121 GLN N . 53747 1 191 . 1 . 1 122 122 ALA H H 1 7.575003222 . . 1 . . . . . 122 ALA H . 53747 1 192 . 1 . 1 122 122 ALA N N 15 122.7326392 . . 1 . . . . . 122 ALA N . 53747 1 193 . 1 . 1 123 123 LEU H H 1 8.411566896 . . 1 . . . . . 123 LEU H . 53747 1 194 . 1 . 1 123 123 LEU N N 15 118.8979971 . . 1 . . . . . 123 LEU N . 53747 1 195 . 1 . 1 125 125 GLN H H 1 7.971968264 . . 1 . . . . . 125 GLN H . 53747 1 196 . 1 . 1 125 125 GLN N N 15 119.7930512 . . 1 . . . . . 125 GLN N . 53747 1 197 . 1 . 1 126 126 LEU H H 1 7.376223037 . . 1 . . . . . 126 LEU H . 53747 1 198 . 1 . 1 126 126 LEU N N 15 119.6014029 . . 1 . . . . . 126 LEU N . 53747 1 199 . 1 . 1 127 127 ALA H H 1 7.398286762 . . 1 . . . . . 127 ALA H . 53747 1 200 . 1 . 1 127 127 ALA N N 15 120.4844104 . . 1 . . . . . 127 ALA N . 53747 1 201 . 1 . 1 128 128 LEU H H 1 7.5893507 . . 1 . . . . . 128 LEU H . 53747 1 202 . 1 . 1 128 128 LEU N N 15 119.2795334 . . 1 . . . . . 128 LEU N . 53747 1 203 . 1 . 1 129 129 GLU H H 1 7.981116347 . . 1 . . . . . 129 GLU H . 53747 1 204 . 1 . 1 129 129 GLU N N 15 120.5950771 . . 1 . . . . . 129 GLU N . 53747 1 205 . 1 . 1 130 130 ALA H H 1 8.066412261 . . 1 . . . . . 130 ALA H . 53747 1 206 . 1 . 1 130 130 ALA N N 15 122.7705111 . . 1 . . . . . 130 ALA N . 53747 1 207 . 1 . 1 131 131 LYS H H 1 7.549815328 . . 1 . . . . . 131 LYS H . 53747 1 208 . 1 . 1 131 131 LYS N N 15 117.9514407 . . 1 . . . . . 131 LYS N . 53747 1 209 . 1 . 1 132 132 GLY H H 1 7.869950388 . . 1 . . . . . 132 GLY H . 53747 1 210 . 1 . 1 132 132 GLY N N 15 109.0377266 . . 1 . . . . . 132 GLY N . 53747 1 211 . 1 . 1 133 133 GLU H H 1 8.080974929 . . 1 . . . . . 133 GLU H . 53747 1 212 . 1 . 1 133 133 GLU N N 15 121.1912136 . . 1 . . . . . 133 GLU N . 53747 1 213 . 1 . 1 134 134 THR H H 1 7.663295734 . . 1 . . . . . 134 THR H . 53747 1 214 . 1 . 1 134 134 THR N N 15 120.3662212 . . 1 . . . . . 134 THR N . 53747 1 stop_ save_