################################### # 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 53743 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'CheA-P1 with kinase-off chemotaxis signaling complexes' _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' . . . 53743 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' . -0.071 . 53743 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 . . 53743 1 2 $software_2 . . 53743 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 8.075063174 . . 1 . . . . . 5 ILE H . 53743 1 2 . 1 . 1 5 5 ILE N N 15 122.13828 . . 1 . . . . . 5 ILE N . 53743 1 3 . 1 . 1 6 6 SER H H 1 8.240632685 . . 1 . . . . . 6 SER H . 53743 1 4 . 1 . 1 6 6 SER N N 15 122.7313104 . . 1 . . . . . 6 SER N . 53743 1 5 . 1 . 1 7 7 ASP H H 1 8.105339383 . . 1 . . . . . 7 ASP H . 53743 1 6 . 1 . 1 7 7 ASP N N 15 122.8723744 . . 1 . . . . . 7 ASP N . 53743 1 7 . 1 . 1 8 8 PHE H H 1 7.79825393 . . 1 . . . . . 8 PHE H . 53743 1 8 . 1 . 1 8 8 PHE N N 15 120.0615394 . . 1 . . . . . 8 PHE N . 53743 1 9 . 1 . 1 9 9 TYR H H 1 7.545678894 . . 1 . . . . . 9 TYR H . 53743 1 10 . 1 . 1 9 9 TYR N N 15 119.0095682 . . 1 . . . . . 9 TYR N . 53743 1 11 . 1 . 1 10 10 GLN H H 1 7.78220515 . . 1 . . . . . 10 GLN H . 53743 1 12 . 1 . 1 10 10 GLN N N 15 118.3685843 . . 1 . . . . . 10 GLN N . 53743 1 13 . 1 . 1 11 11 THR H H 1 7.769223705 . . 1 . . . . . 11 THR H . 53743 1 14 . 1 . 1 11 11 THR N N 15 113.3147615 . . 1 . . . . . 11 THR N . 53743 1 15 . 1 . 1 12 12 PHE H H 1 7.294858925 . . 1 . . . . . 12 PHE H . 53743 1 16 . 1 . 1 12 12 PHE N N 15 122.5422827 . . 1 . . . . . 12 PHE N . 53743 1 17 . 1 . 1 13 13 PHE H H 1 8.167850974 . . 1 . . . . . 13 PHE H . 53743 1 18 . 1 . 1 13 13 PHE N N 15 118.8537155 . . 1 . . . . . 13 PHE N . 53743 1 19 . 1 . 1 14 14 ASP H H 1 8.174786742 . . 1 . . . . . 14 ASP H . 53743 1 20 . 1 . 1 14 14 ASP N N 15 118.398837 . . 1 . . . . . 14 ASP N . 53743 1 21 . 1 . 1 15 15 GLU H H 1 7.898200048 . . 1 . . . . . 15 GLU H . 53743 1 22 . 1 . 1 15 15 GLU N N 15 122.3303339 . . 1 . . . . . 15 GLU N . 53743 1 23 . 1 . 1 16 16 ALA H H 1 9.017893388 . . 1 . . . . . 16 ALA H . 53743 1 24 . 1 . 1 16 16 ALA N N 15 122.7470685 . . 1 . . . . . 16 ALA N . 53743 1 25 . 1 . 1 17 17 ASP H H 1 8.150652773 . . 1 . . . . . 17 ASP H . 53743 1 26 . 1 . 1 17 17 ASP N N 15 118.7130146 . . 1 . . . . . 17 ASP N . 53743 1 27 . 1 . 1 18 18 GLU H H 1 7.243677281 . . 1 . . . . . 18 GLU H . 53743 1 28 . 1 . 1 18 18 GLU N N 15 120.9875954 . . 1 . . . . . 18 GLU N . 53743 1 29 . 1 . 1 21 21 ALA H H 1 7.440097414 . . 1 . . . . . 21 ALA H . 53743 1 30 . 1 . 1 21 21 ALA N N 15 122.7474764 . . 1 . . . . . 21 ALA N . 53743 1 31 . 1 . 1 22 22 ASP H H 1 8.163769445 . . 1 . . . . . 22 ASP H . 53743 1 32 . 1 . 1 22 22 ASP N N 15 121.6959681 . . 1 . . . . . 22 ASP N . 53743 1 33 . 1 . 1 24 24 GLU H H 1 7.98917269 . . 1 . . . . . 24 GLU H . 53743 1 34 . 1 . 1 24 24 GLU N N 15 118.6517241 . . 1 . . . . . 24 GLU N . 53743 1 35 . 1 . 1 25 25 GLN H H 1 7.676412252 . . 1 . . . . . 25 GLN H . 53743 1 36 . 1 . 1 25 25 GLN N N 15 116.0906942 . . 1 . . . . . 25 GLN N . 53743 1 37 . 1 . 1 27 27 LEU H H 1 8.328044494 . . 1 . . . . . 27 LEU H . 53743 1 38 . 1 . 1 27 27 LEU N N 15 120.2170542 . . 1 . . . . . 27 LEU N . 53743 1 39 . 1 . 1 28 28 LEU H H 1 7.789655135 . . 1 . . . . . 28 LEU H . 53743 1 40 . 1 . 1 28 28 LEU N N 15 115.6753125 . . 1 . . . . . 28 LEU N . 53743 1 41 . 1 . 1 29 29 VAL H H 1 6.947340318 . . 1 . . . . . 29 VAL H . 53743 1 42 . 1 . 1 29 29 VAL N N 15 109.5097155 . . 1 . . . . . 29 VAL N . 53743 1 43 . 1 . 1 30 30 LEU H H 1 7.093563952 . . 1 . . . . . 30 LEU H . 53743 1 44 . 1 . 1 30 30 LEU N N 15 126.1932704 . . 1 . . . . . 30 LEU N . 53743 1 45 . 1 . 1 31 31 GLN H H 1 8.749682135 . . 1 . . . . . 31 GLN H . 53743 1 46 . 1 . 1 31 31 GLN N N 15 127.1342326 . . 1 . . . . . 31 GLN N . 53743 1 47 . 1 . 1 33 33 GLU H H 1 8.629190667 . . 1 . . . . . 33 GLU H . 53743 1 48 . 1 . 1 33 33 GLU N N 15 114.2247085 . . 1 . . . . . 33 GLU N . 53743 1 49 . 1 . 1 34 34 ALA H H 1 7.190877447 . . 1 . . . . . 34 ALA H . 53743 1 50 . 1 . 1 34 34 ALA N N 15 121.5929155 . . 1 . . . . . 34 ALA N . 53743 1 51 . 1 . 1 36 36 ASP H H 1 8.220839449 . . 1 . . . . . 36 ASP H . 53743 1 52 . 1 . 1 36 36 ASP N N 15 125.8285766 . . 1 . . . . . 36 ASP N . 53743 1 53 . 1 . 1 37 37 ALA H H 1 8.796107347 . . 1 . . . . . 37 ALA H . 53743 1 54 . 1 . 1 37 37 ALA N N 15 130.4661951 . . 1 . . . . . 37 ALA N . 53743 1 55 . 1 . 1 38 38 GLU H H 1 8.219323075 . . 1 . . . . . 38 GLU H . 53743 1 56 . 1 . 1 38 38 GLU N N 15 117.9851317 . . 1 . . . . . 38 GLU N . 53743 1 57 . 1 . 1 40 40 LEU H H 1 7.835974176 . . 1 . . . . . 40 LEU H . 53743 1 58 . 1 . 1 40 40 LEU N N 15 117.6214381 . . 1 . . . . . 40 LEU N . 53743 1 59 . 1 . 1 41 41 ASN H H 1 8.341962747 . . 1 . . . . . 41 ASN H . 53743 1 60 . 1 . 1 41 41 ASN N N 15 117.8227658 . . 1 . . . . . 41 ASN N . 53743 1 61 . 1 . 1 42 42 ALA H H 1 7.731369656 . . 1 . . . . . 42 ALA H . 53743 1 62 . 1 . 1 42 42 ALA N N 15 123.4466123 . . 1 . . . . . 42 ALA N . 53743 1 63 . 1 . 1 43 43 ILE H H 1 7.755072918 . . 1 . . . . . 43 ILE H . 53743 1 64 . 1 . 1 43 43 ILE N N 15 120.5741017 . . 1 . . . . . 43 ILE N . 53743 1 65 . 1 . 1 45 45 ARG H H 1 8.736098032 . . 1 . . . . . 45 ARG H . 53743 1 66 . 1 . 1 45 45 ARG N N 15 119.0166155 . . 1 . . . . . 45 ARG N . 53743 1 67 . 1 . 1 46 46 ALA H H 1 7.485180283 . . 1 . . . . . 46 ALA H . 53743 1 68 . 1 . 1 46 46 ALA N N 15 122.3253229 . . 1 . . . . . 46 ALA N . 53743 1 69 . 1 . 1 47 47 ALA H H 1 7.717086655 . . 1 . . . . . 47 ALA H . 53743 1 70 . 1 . 1 47 47 ALA N N 15 119.9259225 . . 1 . . . . . 47 ALA N . 53743 1 71 . 1 . 1 48 48 HIS H H 1 8.68420091 . . 1 . . . . . 48 HIS H . 53743 1 72 . 1 . 1 48 48 HIS N N 15 117.0531946 . . 1 . . . . . 48 HIS N . 53743 1 73 . 1 . 1 49 49 SER H H 1 8.210816174 . . 1 . . . . . 49 SER H . 53743 1 74 . 1 . 1 49 49 SER N N 15 117.1365597 . . 1 . . . . . 49 SER N . 53743 1 75 . 1 . 1 50 50 ILE H H 1 8.021844061 . . 1 . . . . . 50 ILE H . 53743 1 76 . 1 . 1 50 50 ILE N N 15 124.5173057 . . 1 . . . . . 50 ILE N . 53743 1 77 . 1 . 1 51 51 LYS H H 1 8.391315826 . . 1 . . . . . 51 LYS H . 53743 1 78 . 1 . 1 51 51 LYS N N 15 121.6831335 . . 1 . . . . . 51 LYS N . 53743 1 79 . 1 . 1 52 52 GLY H H 1 7.658750465 . . 1 . . . . . 52 GLY H . 53743 1 80 . 1 . 1 52 52 GLY N N 15 105.7612493 . . 1 . . . . . 52 GLY N . 53743 1 81 . 1 . 1 53 53 GLY H H 1 7.754617756 . . 1 . . . . . 53 GLY H . 53743 1 82 . 1 . 1 53 53 GLY N N 15 110.8840786 . . 1 . . . . . 53 GLY N . 53743 1 83 . 1 . 1 54 54 ALA H H 1 8.735141342 . . 1 . . . . . 54 ALA H . 53743 1 84 . 1 . 1 54 54 ALA N N 15 123.1661008 . . 1 . . . . . 54 ALA N . 53743 1 85 . 1 . 1 55 55 GLY H H 1 7.896775257 . . 1 . . . . . 55 GLY H . 53743 1 86 . 1 . 1 55 55 GLY N N 15 103.9368613 . . 1 . . . . . 55 GLY N . 53743 1 87 . 1 . 1 56 56 THR H H 1 7.439587989 . . 1 . . . . . 56 THR H . 53743 1 88 . 1 . 1 56 56 THR N N 15 120.5791272 . . 1 . . . . . 56 THR N . 53743 1 89 . 1 . 1 57 57 PHE H H 1 6.734509914 . . 1 . . . . . 57 PHE H . 53743 1 90 . 1 . 1 57 57 PHE N N 15 116.0363462 . . 1 . . . . . 57 PHE N . 53743 1 91 . 1 . 1 58 58 GLY H H 1 7.045175536 . . 1 . . . . . 58 GLY H . 53743 1 92 . 1 . 1 58 58 GLY N N 15 107.4097832 . . 1 . . . . . 58 GLY N . 53743 1 93 . 1 . 1 59 59 PHE H H 1 8.007216184 . . 1 . . . . . 59 PHE H . 53743 1 94 . 1 . 1 59 59 PHE N N 15 122.4215017 . . 1 . . . . . 59 PHE N . 53743 1 95 . 1 . 1 60 60 SER H H 1 7.833353474 . . 1 . . . . . 60 SER H . 53743 1 96 . 1 . 1 60 60 SER N N 15 119.5233209 . . 1 . . . . . 60 SER N . 53743 1 97 . 1 . 1 61 61 VAL H H 1 7.747985492 . . 1 . . . . . 61 VAL H . 53743 1 98 . 1 . 1 61 61 VAL N N 15 122.1508002 . . 1 . . . . . 61 VAL N . 53743 1 99 . 1 . 1 62 62 LEU H H 1 6.605296752 . . 1 . . . . . 62 LEU H . 53743 1 100 . 1 . 1 62 62 LEU N N 15 122.330484 . . 1 . . . . . 62 LEU N . 53743 1 101 . 1 . 1 63 63 GLN H H 1 8.481995448 . . 1 . . . . . 63 GLN H . 53743 1 102 . 1 . 1 63 63 GLN N N 15 122.9084413 . . 1 . . . . . 63 GLN N . 53743 1 103 . 1 . 1 64 64 GLU H H 1 8.222175132 . . 1 . . . . . 64 GLU H . 53743 1 104 . 1 . 1 64 64 GLU N N 15 119.0579282 . . 1 . . . . . 64 GLU N . 53743 1 105 . 1 . 1 65 65 THR H H 1 7.933060616 . . 1 . . . . . 65 THR H . 53743 1 106 . 1 . 1 65 65 THR N N 15 116.6733266 . . 1 . . . . . 65 THR N . 53743 1 107 . 1 . 1 66 66 THR H H 1 8.032554751 . . 1 . . . . . 66 THR H . 53743 1 108 . 1 . 1 66 66 THR N N 15 113.2291333 . . 1 . . . . . 66 THR N . 53743 1 109 . 1 . 1 67 67 HIS H H 1 8.444432692 . . 1 . . . . . 67 HIS H . 53743 1 110 . 1 . 1 67 67 HIS N N 15 122.9942276 . . 1 . . . . . 67 HIS N . 53743 1 111 . 1 . 1 68 68 LEU H H 1 7.623721853 . . 1 . . . . . 68 LEU H . 53743 1 112 . 1 . 1 68 68 LEU N N 15 117.9702431 . . 1 . . . . . 68 LEU N . 53743 1 113 . 1 . 1 69 69 MET H H 1 7.581405755 . . 1 . . . . . 69 MET H . 53743 1 114 . 1 . 1 69 69 MET N N 15 119.0375824 . . 1 . . . . . 69 MET N . 53743 1 115 . 1 . 1 70 70 GLU H H 1 9.27636657 . . 1 . . . . . 70 GLU H . 53743 1 116 . 1 . 1 70 70 GLU N N 15 121.4747223 . . 1 . . . . . 70 GLU N . 53743 1 117 . 1 . 1 71 71 ASN H H 1 7.862974662 . . 1 . . . . . 71 ASN H . 53743 1 118 . 1 . 1 71 71 ASN N N 15 117.3874729 . . 1 . . . . . 71 ASN N . 53743 1 119 . 1 . 1 72 72 LEU H H 1 7.091443081 . . 1 . . . . . 72 LEU H . 53743 1 120 . 1 . 1 72 72 LEU N N 15 119.8088542 . . 1 . . . . . 72 LEU N . 53743 1 121 . 1 . 1 74 74 ASP H H 1 8.652713359 . . 1 . . . . . 74 ASP H . 53743 1 122 . 1 . 1 74 74 ASP N N 15 120.567122 . . 1 . . . . . 74 ASP N . 53743 1 123 . 1 . 1 76 76 ALA H H 1 8.220544202 . . 1 . . . . . 76 ALA H . 53743 1 124 . 1 . 1 76 76 ALA N N 15 121.1273737 . . 1 . . . . . 76 ALA N . 53743 1 125 . 1 . 1 77 77 ARG H H 1 8.637032086 . . 1 . . . . . 77 ARG H . 53743 1 126 . 1 . 1 77 77 ARG N N 15 119.9648278 . . 1 . . . . . 77 ARG N . 53743 1 127 . 1 . 1 79 79 GLY H H 1 7.639231917 . . 1 . . . . . 79 GLY H . 53743 1 128 . 1 . 1 79 79 GLY N N 15 107.9751459 . . 1 . . . . . 79 GLY N . 53743 1 129 . 1 . 1 80 80 GLU H H 1 7.833390712 . . 1 . . . . . 80 GLU H . 53743 1 130 . 1 . 1 80 80 GLU N N 15 118.245399 . . 1 . . . . . 80 GLU N . 53743 1 131 . 1 . 1 81 81 MET H H 1 6.806349788 . . 1 . . . . . 81 MET H . 53743 1 132 . 1 . 1 81 81 MET N N 15 117.5860859 . . 1 . . . . . 81 MET N . 53743 1 133 . 1 . 1 82 82 GLN H H 1 8.524040449 . . 1 . . . . . 82 GLN H . 53743 1 134 . 1 . 1 82 82 GLN N N 15 126.5014423 . . 1 . . . . . 82 GLN N . 53743 1 135 . 1 . 1 84 84 ASN H H 1 6.492643451 . . 1 . . . . . 84 ASN H . 53743 1 136 . 1 . 1 84 84 ASN N N 15 111.937135 . . 1 . . . . . 84 ASN N . 53743 1 137 . 1 . 1 86 86 ASP H H 1 7.805416995 . . 1 . . . . . 86 ASP H . 53743 1 138 . 1 . 1 86 86 ASP N N 15 122.4200023 . . 1 . . . . . 86 ASP N . 53743 1 139 . 1 . 1 87 87 ILE H H 1 8.201157529 . . 1 . . . . . 87 ILE H . 53743 1 140 . 1 . 1 87 87 ILE N N 15 122.9627604 . . 1 . . . . . 87 ILE N . 53743 1 141 . 1 . 1 88 88 ILE H H 1 7.590148832 . . 1 . . . . . 88 ILE H . 53743 1 142 . 1 . 1 88 88 ILE N N 15 119.8896588 . . 1 . . . . . 88 ILE N . 53743 1 143 . 1 . 1 89 89 ASN H H 1 8.276911599 . . 1 . . . . . 89 ASN H . 53743 1 144 . 1 . 1 89 89 ASN N N 15 118.5346872 . . 1 . . . . . 89 ASN N . 53743 1 145 . 1 . 1 90 90 LEU H H 1 7.787434074 . . 1 . . . . . 90 LEU H . 53743 1 146 . 1 . 1 90 90 LEU N N 15 124.9152447 . . 1 . . . . . 90 LEU N . 53743 1 147 . 1 . 1 91 91 PHE H H 1 8.694575781 . . 1 . . . . . 91 PHE H . 53743 1 148 . 1 . 1 91 91 PHE N N 15 123.8281094 . . 1 . . . . . 91 PHE N . 53743 1 149 . 1 . 1 92 92 LEU H H 1 8.602509096 . . 1 . . . . . 92 LEU H . 53743 1 150 . 1 . 1 92 92 LEU N N 15 123.0849872 . . 1 . . . . . 92 LEU N . 53743 1 151 . 1 . 1 93 93 GLU H H 1 8.253689891 . . 1 . . . . . 93 GLU H . 53743 1 152 . 1 . 1 93 93 GLU N N 15 121.7951528 . . 1 . . . . . 93 GLU N . 53743 1 153 . 1 . 1 94 94 THR H H 1 8.48318394 . . 1 . . . . . 94 THR H . 53743 1 154 . 1 . 1 94 94 THR N N 15 118.1219255 . . 1 . . . . . 94 THR N . 53743 1 155 . 1 . 1 96 96 ASP H H 1 7.846489692 . . 1 . . . . . 96 ASP H . 53743 1 156 . 1 . 1 96 96 ASP N N 15 121.2954358 . . 1 . . . . . 96 ASP N . 53743 1 157 . 1 . 1 98 98 MET H H 1 9.052575561 . . 1 . . . . . 98 MET H . 53743 1 158 . 1 . 1 98 98 MET N N 15 122.4866739 . . 1 . . . . . 98 MET N . 53743 1 159 . 1 . 1 99 99 GLN H H 1 8.226565946 . . 1 . . . . . 99 GLN H . 53743 1 160 . 1 . 1 99 99 GLN N N 15 119.4507807 . . 1 . . . . . 99 GLN N . 53743 1 161 . 1 . 1 100 100 GLU H H 1 7.650693193 . . 1 . . . . . 100 GLU H . 53743 1 162 . 1 . 1 100 100 GLU N N 15 119.7459479 . . 1 . . . . . 100 GLU N . 53743 1 163 . 1 . 1 103 103 ASP H H 1 8.456400815 . . 1 . . . . . 103 ASP H . 53743 1 164 . 1 . 1 103 103 ASP N N 15 118.3653005 . . 1 . . . . . 103 ASP N . 53743 1 165 . 1 . 1 104 104 ALA H H 1 7.543006088 . . 1 . . . . . 104 ALA H . 53743 1 166 . 1 . 1 104 104 ALA N N 15 124.8273227 . . 1 . . . . . 104 ALA N . 53743 1 167 . 1 . 1 105 105 TYR H H 1 7.676865587 . . 1 . . . . . 105 TYR H . 53743 1 168 . 1 . 1 105 105 TYR N N 15 119.5535401 . . 1 . . . . . 105 TYR N . 53743 1 169 . 1 . 1 107 107 GLN H H 1 7.075867231 . . 1 . . . . . 107 GLN H . 53743 1 170 . 1 . 1 107 107 GLN N N 15 115.8910554 . . 1 . . . . . 107 GLN N . 53743 1 171 . 1 . 1 108 108 SER H H 1 7.986785154 . . 1 . . . . . 108 SER H . 53743 1 172 . 1 . 1 108 108 SER N N 15 113.5882391 . . 1 . . . . . 108 SER N . 53743 1 173 . 1 . 1 109 109 GLN H H 1 7.992135815 . . 1 . . . . . 109 GLN H . 53743 1 174 . 1 . 1 109 109 GLN N N 15 118.1319107 . . 1 . . . . . 109 GLN N . 53743 1 175 . 1 . 1 110 110 GLU H H 1 8.161360168 . . 1 . . . . . 110 GLU H . 53743 1 176 . 1 . 1 110 110 GLU N N 15 120.7925136 . . 1 . . . . . 110 GLU N . 53743 1 177 . 1 . 1 113 113 ALA H H 1 8.717568055 . . 1 . . . . . 113 ALA H . 53743 1 178 . 1 . 1 113 113 ALA N N 15 132.9705565 . . 1 . . . . . 113 ALA N . 53743 1 179 . 1 . 1 114 114 ALA H H 1 8.178089247 . . 1 . . . . . 114 ALA H . 53743 1 180 . 1 . 1 114 114 ALA N N 15 121.7406429 . . 1 . . . . . 114 ALA N . 53743 1 181 . 1 . 1 115 115 SER H H 1 8.267187163 . . 1 . . . . . 115 SER H . 53743 1 182 . 1 . 1 115 115 SER N N 15 116.6652829 . . 1 . . . . . 115 SER N . 53743 1 183 . 1 . 1 116 116 PHE H H 1 7.126029627 . . 1 . . . . . 116 PHE H . 53743 1 184 . 1 . 1 116 116 PHE N N 15 123.1334332 . . 1 . . . . . 116 PHE N . 53743 1 185 . 1 . 1 118 118 TYR H H 1 7.830563828 . . 1 . . . . . 118 TYR H . 53743 1 186 . 1 . 1 118 118 TYR N N 15 118.9678404 . . 1 . . . . . 118 TYR N . 53743 1 187 . 1 . 1 119 119 ILE H H 1 8.264405247 . . 1 . . . . . 119 ILE H . 53743 1 188 . 1 . 1 119 119 ILE N N 15 122.7313104 . . 1 . . . . . 119 ILE N . 53743 1 189 . 1 . 1 121 121 GLN H H 1 7.445039448 . . 1 . . . . . 121 GLN H . 53743 1 190 . 1 . 1 121 121 GLN N N 15 118.3973044 . . 1 . . . . . 121 GLN N . 53743 1 191 . 1 . 1 122 122 ALA H H 1 7.582747717 . . 1 . . . . . 122 ALA H . 53743 1 192 . 1 . 1 122 122 ALA N N 15 122.729209 . . 1 . . . . . 122 ALA N . 53743 1 193 . 1 . 1 123 123 LEU H H 1 8.419115334 . . 1 . . . . . 123 LEU H . 53743 1 194 . 1 . 1 123 123 LEU N N 15 118.9373488 . . 1 . . . . . 123 LEU N . 53743 1 195 . 1 . 1 125 125 GLN H H 1 7.975409313 . . 1 . . . . . 125 GLN H . 53743 1 196 . 1 . 1 125 125 GLN N N 15 119.8479556 . . 1 . . . . . 125 GLN N . 53743 1 197 . 1 . 1 126 126 LEU H H 1 7.388876884 . . 1 . . . . . 126 LEU H . 53743 1 198 . 1 . 1 126 126 LEU N N 15 119.6540184 . . 1 . . . . . 126 LEU N . 53743 1 199 . 1 . 1 127 127 ALA H H 1 7.415389358 . . 1 . . . . . 127 ALA H . 53743 1 200 . 1 . 1 127 127 ALA N N 15 120.5119222 . . 1 . . . . . 127 ALA N . 53743 1 201 . 1 . 1 128 128 LEU H H 1 7.588069637 . . 1 . . . . . 128 LEU H . 53743 1 202 . 1 . 1 128 128 LEU N N 15 119.3530067 . . 1 . . . . . 128 LEU N . 53743 1 203 . 1 . 1 129 129 GLU H H 1 7.983848176 . . 1 . . . . . 129 GLU H . 53743 1 204 . 1 . 1 129 129 GLU N N 15 120.5841468 . . 1 . . . . . 129 GLU N . 53743 1 205 . 1 . 1 130 130 ALA H H 1 8.078261652 . . 1 . . . . . 130 ALA H . 53743 1 206 . 1 . 1 130 130 ALA N N 15 122.7352076 . . 1 . . . . . 130 ALA N . 53743 1 207 . 1 . 1 131 131 LYS H H 1 7.543585 . . 1 . . . . . 131 LYS H . 53743 1 208 . 1 . 1 131 131 LYS N N 15 117.8605526 . . 1 . . . . . 131 LYS N . 53743 1 209 . 1 . 1 132 132 GLY H H 1 7.866698152 . . 1 . . . . . 132 GLY H . 53743 1 210 . 1 . 1 132 132 GLY N N 15 109.0270471 . . 1 . . . . . 132 GLY N . 53743 1 211 . 1 . 1 133 133 GLU H H 1 8.073512434 . . 1 . . . . . 133 GLU H . 53743 1 212 . 1 . 1 133 133 GLU N N 15 121.1647928 . . 1 . . . . . 133 GLU N . 53743 1 213 . 1 . 1 134 134 THR H H 1 7.655960228 . . 1 . . . . . 134 THR H . 53743 1 214 . 1 . 1 134 134 THR N N 15 120.3093203 . . 1 . . . . . 134 THR N . 53743 1 stop_ save_