################################### # 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 51895 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name TAK1.prot_cara _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 . _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' . . . 51895 1 2 '3D HNCA' . . . 51895 1 3 '3D HNCACB' . . . 51895 1 4 '3D CBCA(CO)NH' . . . 51895 1 5 '3D HN(CO)CA' . . . 51895 1 6 '3D C(CO)NH' . . . 51895 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 . . 51895 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 2 2 HIS H H 1 8.074 0.020 . 1 . . . . . 382 HIS H . 51895 1 2 . 1 . 1 2 2 HIS CA C 13 53.295 0.3 . 1 . . . . . 382 HIS CA . 51895 1 3 . 1 . 1 2 2 HIS N N 15 119.463 0.3 . 1 . . . . . 382 HIS N . 51895 1 4 . 1 . 1 3 3 MET H H 1 8.343 0.020 . 1 . . . . . 383 MET H . 51895 1 5 . 1 . 1 3 3 MET CA C 13 53.235 0.3 . 1 . . . . . 383 MET CA . 51895 1 6 . 1 . 1 3 3 MET N N 15 122.241 0.3 . 1 . . . . . 383 MET N . 51895 1 7 . 1 . 1 4 4 GLU H H 1 8.347 0.020 . 1 . . . . . 384 GLU H . 51895 1 8 . 1 . 1 4 4 GLU CA C 13 53.543 0.3 . 1 . . . . . 384 GLU CA . 51895 1 9 . 1 . 1 4 4 GLU N N 15 122.539 0.3 . 1 . . . . . 384 GLU N . 51895 1 10 . 1 . 1 5 5 GLY H H 1 8.327 0.020 . 1 . . . . . 385 GLY H . 51895 1 11 . 1 . 1 5 5 GLY CA C 13 41.982 0.3 . 1 . . . . . 385 GLY CA . 51895 1 12 . 1 . 1 5 5 GLY N N 15 110.319 0.3 . 1 . . . . . 385 GLY N . 51895 1 13 . 1 . 1 6 6 LYS H H 1 7.999 0.020 . 1 . . . . . 386 LYS H . 51895 1 14 . 1 . 1 6 6 LYS CA C 13 53.006 0.3 . 1 . . . . . 386 LYS CA . 51895 1 15 . 1 . 1 6 6 LYS N N 15 120.906 0.3 . 1 . . . . . 386 LYS N . 51895 1 16 . 1 . 1 7 7 ARG H H 1 8.268 0.020 . 1 . . . . . 387 ARG H . 51895 1 17 . 1 . 1 7 7 ARG CA C 13 53.136 0.3 . 1 . . . . . 387 ARG CA . 51895 1 18 . 1 . 1 7 7 ARG N N 15 122.759 0.3 . 1 . . . . . 387 ARG N . 51895 1 19 . 1 . 1 8 8 MET H H 1 8.283 0.020 . 1 . . . . . 388 MET H . 51895 1 20 . 1 . 1 8 8 MET CA C 13 52.734 0.3 . 1 . . . . . 388 MET CA . 51895 1 21 . 1 . 1 8 8 MET N N 15 122.802 0.3 . 1 . . . . . 388 MET N . 51895 1 22 . 1 . 1 9 9 SER H H 1 8.158 0.020 . 1 . . . . . 389 SER H . 51895 1 23 . 1 . 1 9 9 SER CA C 13 55.205 0.3 . 1 . . . . . 389 SER CA . 51895 1 24 . 1 . 1 9 9 SER N N 15 117.091 0.3 . 1 . . . . . 389 SER N . 51895 1 25 . 1 . 1 10 10 ALA H H 1 8.312 0.020 . 1 . . . . . 390 ALA H . 51895 1 26 . 1 . 1 10 10 ALA CA C 13 49.950 0.3 . 1 . . . . . 390 ALA CA . 51895 1 27 . 1 . 1 10 10 ALA N N 15 125.485 0.3 . 1 . . . . . 390 ALA N . 51895 1 28 . 1 . 1 11 11 ASP H H 1 8.105 0.020 . 1 . . . . . 391 ASP H . 51895 1 29 . 1 . 1 11 11 ASP CA C 13 51.263 0.3 . 1 . . . . . 391 ASP CA . 51895 1 30 . 1 . 1 11 11 ASP N N 15 118.692 0.3 . 1 . . . . . 391 ASP N . 51895 1 31 . 1 . 1 12 12 MET H H 1 8.126 0.020 . 1 . . . . . 392 MET H . 51895 1 32 . 1 . 1 12 12 MET CA C 13 52.985 0.3 . 1 . . . . . 392 MET CA . 51895 1 33 . 1 . 1 12 12 MET N N 15 121.045 0.3 . 1 . . . . . 392 MET N . 51895 1 34 . 1 . 1 13 13 SER H H 1 8.331 0.020 . 1 . . . . . 393 SER H . 51895 1 35 . 1 . 1 13 13 SER CA C 13 56.594 0.3 . 1 . . . . . 393 SER CA . 51895 1 36 . 1 . 1 13 13 SER N N 15 117.142 0.3 . 1 . . . . . 393 SER N . 51895 1 37 . 1 . 1 14 14 GLU H H 1 8.245 0.020 . 1 . . . . . 394 GLU H . 51895 1 38 . 1 . 1 14 14 GLU CA C 13 55.271 0.3 . 1 . . . . . 394 GLU CA . 51895 1 39 . 1 . 1 14 14 GLU N N 15 122.580 0.3 . 1 . . . . . 394 GLU N . 51895 1 40 . 1 . 1 15 15 ILE H H 1 7.748 0.020 . 1 . . . . . 395 ILE H . 51895 1 41 . 1 . 1 15 15 ILE CA C 13 60.254 0.3 . 1 . . . . . 395 ILE CA . 51895 1 42 . 1 . 1 15 15 ILE N N 15 120.402 0.3 . 1 . . . . . 395 ILE N . 51895 1 43 . 1 . 1 16 16 GLU H H 1 7.975 0.020 . 1 . . . . . 396 GLU H . 51895 1 44 . 1 . 1 16 16 GLU CA C 13 55.220 0.3 . 1 . . . . . 396 GLU CA . 51895 1 45 . 1 . 1 16 16 GLU N N 15 121.533 0.3 . 1 . . . . . 396 GLU N . 51895 1 46 . 1 . 1 17 17 ALA H H 1 8.053 0.020 . 1 . . . . . 397 ALA H . 51895 1 47 . 1 . 1 17 17 ALA CA C 13 50.799 0.3 . 1 . . . . . 397 ALA CA . 51895 1 48 . 1 . 1 17 17 ALA N N 15 123.193 0.3 . 1 . . . . . 397 ALA N . 51895 1 49 . 1 . 1 18 18 ARG H H 1 7.842 0.020 . 1 . . . . . 398 ARG H . 51895 1 50 . 1 . 1 18 18 ARG CA C 13 54.775 0.3 . 1 . . . . . 398 ARG CA . 51895 1 51 . 1 . 1 18 18 ARG N N 15 119.607 0.3 . 1 . . . . . 398 ARG N . 51895 1 52 . 1 . 1 19 19 ILE H H 1 7.856 0.020 . 1 . . . . . 399 ILE H . 51895 1 53 . 1 . 1 19 19 ILE CA C 13 59.837 0.3 . 1 . . . . . 399 ILE CA . 51895 1 54 . 1 . 1 19 19 ILE N N 15 121.183 0.3 . 1 . . . . . 399 ILE N . 51895 1 55 . 1 . 1 20 20 ALA H H 1 8.041 0.020 . 1 . . . . . 400 ALA H . 51895 1 56 . 1 . 1 20 20 ALA CA C 13 50.393 0.3 . 1 . . . . . 400 ALA CA . 51895 1 57 . 1 . 1 20 20 ALA N N 15 125.446 0.3 . 1 . . . . . 400 ALA N . 51895 1 58 . 1 . 1 21 21 ALA H H 1 7.836 0.020 . 1 . . . . . 401 ALA H . 51895 1 59 . 1 . 1 21 21 ALA CA C 13 50.331 0.3 . 1 . . . . . 401 ALA CA . 51895 1 60 . 1 . 1 21 21 ALA N N 15 121.077 0.3 . 1 . . . . . 401 ALA N . 51895 1 61 . 1 . 1 22 22 THR H H 1 7.830 0.020 . 1 . . . . . 402 THR H . 51895 1 62 . 1 . 1 22 22 THR CA C 13 59.700 0.3 . 1 . . . . . 402 THR CA . 51895 1 63 . 1 . 1 22 22 THR N N 15 112.039 0.3 . 1 . . . . . 402 THR N . 51895 1 64 . 1 . 1 23 23 THR H H 1 7.850 0.020 . 1 . . . . . 403 THR H . 51895 1 65 . 1 . 1 23 23 THR CA C 13 59.558 0.3 . 1 . . . . . 403 THR CA . 51895 1 66 . 1 . 1 23 23 THR N N 15 116.002 0.3 . 1 . . . . . 403 THR N . 51895 1 67 . 1 . 1 24 24 ALA H H 1 7.977 0.020 . 1 . . . . . 404 ALA H . 51895 1 68 . 1 . 1 24 24 ALA CA C 13 49.871 0.3 . 1 . . . . . 404 ALA CA . 51895 1 69 . 1 . 1 24 24 ALA N N 15 125.480 0.3 . 1 . . . . . 404 ALA N . 51895 1 70 . 1 . 1 25 25 TYR H H 1 7.883 0.020 . 1 . . . . . 405 TYR H . 51895 1 71 . 1 . 1 25 25 TYR CA C 13 55.127 0.3 . 1 . . . . . 405 TYR CA . 51895 1 72 . 1 . 1 25 25 TYR N N 15 118.878 0.3 . 1 . . . . . 405 TYR N . 51895 1 73 . 1 . 1 26 26 SER H H 1 7.766 0.020 . 1 . . . . . 406 SER H . 51895 1 74 . 1 . 1 26 26 SER CA C 13 55.012 0.3 . 1 . . . . . 406 SER CA . 51895 1 75 . 1 . 1 26 26 SER N N 15 117.567 0.3 . 1 . . . . . 406 SER N . 51895 1 76 . 1 . 1 27 27 LYS H H 1 8.015 0.020 . 1 . . . . . 407 LYS H . 51895 1 77 . 1 . 1 27 27 LYS CA C 13 51.263 0.3 . 1 . . . . . 407 LYS CA . 51895 1 78 . 1 . 1 27 27 LYS N N 15 124.346 0.3 . 1 . . . . . 407 LYS N . 51895 1 79 . 1 . 1 30 30 ARG H H 1 8.251 0.020 . 1 . . . . . 410 ARG H . 51895 1 80 . 1 . 1 30 30 ARG CA C 13 52.963 0.3 . 1 . . . . . 410 ARG CA . 51895 1 81 . 1 . 1 30 30 ARG N N 15 122.357 0.3 . 1 . . . . . 410 ARG N . 51895 1 82 . 1 . 1 31 31 GLY H H 1 8.330 0.020 . 1 . . . . . 411 GLY H . 51895 1 83 . 1 . 1 31 31 GLY CA C 13 41.959 0.3 . 1 . . . . . 411 GLY CA . 51895 1 84 . 1 . 1 31 31 GLY N N 15 110.326 0.3 . 1 . . . . . 411 GLY N . 51895 1 85 . 1 . 1 33 33 ARG H H 1 8.170 0.020 . 1 . . . . . 413 ARG H . 51895 1 86 . 1 . 1 33 33 ARG CA C 13 53.061 0.3 . 1 . . . . . 413 ARG CA . 51895 1 87 . 1 . 1 33 33 ARG N N 15 122.790 0.3 . 1 . . . . . 413 ARG N . 51895 1 88 . 1 . 1 34 34 LYS H H 1 8.391 0.020 . 1 . . . . . 414 LYS H . 51895 1 89 . 1 . 1 34 34 LYS CA C 13 53.524 0.3 . 1 . . . . . 414 LYS CA . 51895 1 90 . 1 . 1 34 34 LYS N N 15 123.458 0.3 . 1 . . . . . 414 LYS N . 51895 1 91 . 1 . 1 35 35 THR H H 1 8.012 0.020 . 1 . . . . . 415 THR H . 51895 1 92 . 1 . 1 35 35 THR CA C 13 58.556 0.3 . 1 . . . . . 415 THR CA . 51895 1 93 . 1 . 1 35 35 THR N N 15 115.833 0.3 . 1 . . . . . 415 THR N . 51895 1 94 . 1 . 1 36 36 ALA H H 1 8.227 0.020 . 1 . . . . . 416 ALA H . 51895 1 95 . 1 . 1 36 36 ALA CA C 13 49.482 0.3 . 1 . . . . . 416 ALA CA . 51895 1 96 . 1 . 1 36 36 ALA N N 15 126.293 0.3 . 1 . . . . . 416 ALA N . 51895 1 97 . 1 . 1 37 37 SER H H 1 8.050 0.020 . 1 . . . . . 417 SER H . 51895 1 98 . 1 . 1 37 37 SER CA C 13 55.228 0.3 . 1 . . . . . 417 SER CA . 51895 1 99 . 1 . 1 37 37 SER N N 15 114.924 0.3 . 1 . . . . . 417 SER N . 51895 1 100 . 1 . 1 38 38 PHE H H 1 8.094 0.020 . 1 . . . . . 418 PHE H . 51895 1 101 . 1 . 1 38 38 PHE CA C 13 55.003 0.3 . 1 . . . . . 418 PHE CA . 51895 1 102 . 1 . 1 38 38 PHE N N 15 121.671 0.3 . 1 . . . . . 418 PHE N . 51895 1 103 . 1 . 1 39 39 GLY H H 1 8.166 0.020 . 1 . . . . . 419 GLY H . 51895 1 104 . 1 . 1 39 39 GLY CA C 13 41.982 0.3 . 1 . . . . . 419 GLY CA . 51895 1 105 . 1 . 1 39 39 GLY N N 15 110.165 0.3 . 1 . . . . . 419 GLY N . 51895 1 106 . 1 . 1 40 40 ASN H H 1 8.118 0.020 . 1 . . . . . 420 ASN H . 51895 1 107 . 1 . 1 40 40 ASN CA C 13 50.116 0.3 . 1 . . . . . 420 ASN CA . 51895 1 108 . 1 . 1 40 40 ASN N N 15 118.722 0.3 . 1 . . . . . 420 ASN N . 51895 1 109 . 1 . 1 41 41 ILE H H 1 8.023 0.020 . 1 . . . . . 421 ILE H . 51895 1 110 . 1 . 1 41 41 ILE CA C 13 58.312 0.3 . 1 . . . . . 421 ILE CA . 51895 1 111 . 1 . 1 41 41 ILE N N 15 121.397 0.3 . 1 . . . . . 421 ILE N . 51895 1 112 . 1 . 1 42 42 LEU H H 1 8.123 0.020 . 1 . . . . . 422 LEU H . 51895 1 113 . 1 . 1 42 42 LEU CA C 13 51.785 0.3 . 1 . . . . . 422 LEU CA . 51895 1 114 . 1 . 1 42 42 LEU N N 15 125.160 0.3 . 1 . . . . . 422 LEU N . 51895 1 115 . 1 . 1 43 43 ASP H H 1 8.042 0.020 . 1 . . . . . 423 ASP H . 51895 1 116 . 1 . 1 43 43 ASP CA C 13 51.243 0.3 . 1 . . . . . 423 ASP CA . 51895 1 117 . 1 . 1 43 43 ASP N N 15 121.465 0.3 . 1 . . . . . 423 ASP N . 51895 1 118 . 1 . 1 44 44 VAL H H 1 7.845 0.020 . 1 . . . . . 424 VAL H . 51895 1 119 . 1 . 1 44 44 VAL CA C 13 56.781 0.3 . 1 . . . . . 424 VAL CA . 51895 1 120 . 1 . 1 44 44 VAL N N 15 121.416 0.3 . 1 . . . . . 424 VAL N . 51895 1 121 . 1 . 1 45 45 PRO CA C 13 59.936 0.3 . 1 . . . . . 425 PRO CA . 51895 1 122 . 1 . 1 46 46 GLU H H 1 8.298 0.020 . 1 . . . . . 426 GLU H . 51895 1 123 . 1 . 1 46 46 GLU CA C 13 53.416 0.3 . 1 . . . . . 426 GLU CA . 51895 1 124 . 1 . 1 46 46 GLU N N 15 121.338 0.3 . 1 . . . . . 426 GLU N . 51895 1 125 . 1 . 1 47 47 ILE H H 1 8.098 0.020 . 1 . . . . . 427 ILE H . 51895 1 126 . 1 . 1 47 47 ILE CA C 13 57.880 0.3 . 1 . . . . . 427 ILE CA . 51895 1 127 . 1 . 1 47 47 ILE N N 15 122.903 0.3 . 1 . . . . . 427 ILE N . 51895 1 128 . 1 . 1 48 48 VAL H H 1 8.182 0.020 . 1 . . . . . 428 VAL H . 51895 1 129 . 1 . 1 48 48 VAL CA C 13 59.176 0.3 . 1 . . . . . 428 VAL CA . 51895 1 130 . 1 . 1 48 48 VAL N N 15 126.112 0.3 . 1 . . . . . 428 VAL N . 51895 1 131 . 1 . 1 49 49 ILE H H 1 8.258 0.020 . 1 . . . . . 429 ILE H . 51895 1 132 . 1 . 1 49 49 ILE CA C 13 57.817 0.3 . 1 . . . . . 429 ILE CA . 51895 1 133 . 1 . 1 49 49 ILE N N 15 126.290 0.3 . 1 . . . . . 429 ILE N . 51895 1 134 . 1 . 1 50 50 SER H H 1 8.292 0.020 . 1 . . . . . 430 SER H . 51895 1 135 . 1 . 1 50 50 SER CA C 13 55.208 0.3 . 1 . . . . . 430 SER CA . 51895 1 136 . 1 . 1 50 50 SER N N 15 120.536 0.3 . 1 . . . . . 430 SER N . 51895 1 137 . 1 . 1 51 51 GLY H H 1 8.344 0.020 . 1 . . . . . 431 GLY H . 51895 1 138 . 1 . 1 51 51 GLY CA C 13 42.333 0.3 . 1 . . . . . 431 GLY CA . 51895 1 139 . 1 . 1 51 51 GLY N N 15 110.982 0.3 . 1 . . . . . 431 GLY N . 51895 1 140 . 1 . 1 52 52 ASN H H 1 8.180 0.020 . 1 . . . . . 432 ASN H . 51895 1 141 . 1 . 1 52 52 ASN CA C 13 50.014 0.3 . 1 . . . . . 432 ASN CA . 51895 1 142 . 1 . 1 52 52 ASN N N 15 118.329 0.3 . 1 . . . . . 432 ASN N . 51895 1 143 . 1 . 1 53 53 GLY H H 1 8.276 0.020 . 1 . . . . . 433 GLY H . 51895 1 144 . 1 . 1 53 53 GLY CA C 13 42.026 0.3 . 1 . . . . . 433 GLY CA . 51895 1 145 . 1 . 1 53 53 GLY N N 15 109.003 0.3 . 1 . . . . . 433 GLY N . 51895 1 146 . 1 . 1 54 54 GLN H H 1 7.929 0.020 . 1 . . . . . 434 GLN H . 51895 1 147 . 1 . 1 54 54 GLN CA C 13 50.625 0.3 . 1 . . . . . 434 GLN CA . 51895 1 148 . 1 . 1 54 54 GLN N N 15 120.209 0.3 . 1 . . . . . 434 GLN N . 51895 1 149 . 1 . 1 55 55 PRO CA C 13 60.002 0.3 . 1 . . . . . 435 PRO CA . 51895 1 150 . 1 . 1 56 56 ARG H H 1 8.359 0.020 . 1 . . . . . 436 ARG H . 51895 1 151 . 1 . 1 56 56 ARG CA C 13 52.933 0.3 . 1 . . . . . 436 ARG CA . 51895 1 152 . 1 . 1 56 56 ARG N N 15 121.798 0.3 . 1 . . . . . 436 ARG N . 51895 1 153 . 1 . 1 57 57 ARG H H 1 8.306 0.020 . 1 . . . . . 437 ARG H . 51895 1 154 . 1 . 1 57 57 ARG CA C 13 53.075 0.3 . 1 . . . . . 437 ARG CA . 51895 1 155 . 1 . 1 57 57 ARG N N 15 123.115 0.3 . 1 . . . . . 437 ARG N . 51895 1 156 . 1 . 1 58 58 ARG H H 1 8.363 0.020 . 1 . . . . . 438 ARG H . 51895 1 157 . 1 . 1 58 58 ARG CA C 13 53.064 0.3 . 1 . . . . . 438 ARG CA . 51895 1 158 . 1 . 1 58 58 ARG N N 15 123.307 0.3 . 1 . . . . . 438 ARG N . 51895 1 159 . 1 . 1 59 59 SER H H 1 8.378 0.020 . 1 . . . . . 439 SER H . 51895 1 160 . 1 . 1 59 59 SER CA C 13 54.954 0.3 . 1 . . . . . 439 SER CA . 51895 1 161 . 1 . 1 59 59 SER N N 15 117.888 0.3 . 1 . . . . . 439 SER N . 51895 1 162 . 1 . 1 60 60 ILE H H 1 8.145 0.020 . 1 . . . . . 440 ILE H . 51895 1 163 . 1 . 1 60 60 ILE CA C 13 58.879 0.3 . 1 . . . . . 440 ILE CA . 51895 1 164 . 1 . 1 60 60 ILE N N 15 122.311 0.3 . 1 . . . . . 440 ILE N . 51895 1 165 . 1 . 1 61 61 GLN H H 1 8.180 0.020 . 1 . . . . . 441 GLN H . 51895 1 166 . 1 . 1 61 61 GLN CA C 13 53.003 0.3 . 1 . . . . . 441 GLN CA . 51895 1 167 . 1 . 1 61 61 GLN N N 15 122.874 0.3 . 1 . . . . . 441 GLN N . 51895 1 168 . 1 . 1 62 62 ASP H H 1 8.030 0.020 . 1 . . . . . 442 ASP H . 51895 1 169 . 1 . 1 62 62 ASP CA C 13 51.257 0.3 . 1 . . . . . 442 ASP CA . 51895 1 170 . 1 . 1 62 62 ASP N N 15 121.472 0.3 . 1 . . . . . 442 ASP N . 51895 1 171 . 1 . 1 63 63 LEU H H 1 8.095 0.020 . 1 . . . . . 443 LEU H . 51895 1 172 . 1 . 1 63 63 LEU CA C 13 52.381 0.3 . 1 . . . . . 443 LEU CA . 51895 1 173 . 1 . 1 63 63 LEU N N 15 122.715 0.3 . 1 . . . . . 443 LEU N . 51895 1 174 . 1 . 1 64 64 THR H H 1 8.076 0.020 . 1 . . . . . 444 THR H . 51895 1 175 . 1 . 1 64 64 THR CA C 13 59.629 0.3 . 1 . . . . . 444 THR CA . 51895 1 176 . 1 . 1 64 64 THR N N 15 114.871 0.3 . 1 . . . . . 444 THR N . 51895 1 177 . 1 . 1 65 65 VAL H H 1 7.945 0.020 . 1 . . . . . 445 VAL H . 51895 1 178 . 1 . 1 65 65 VAL CA C 13 59.435 0.3 . 1 . . . . . 445 VAL CA . 51895 1 179 . 1 . 1 65 65 VAL N N 15 122.628 0.3 . 1 . . . . . 445 VAL N . 51895 1 180 . 1 . 1 66 66 THR H H 1 8.179 0.020 . 1 . . . . . 446 THR H . 51895 1 181 . 1 . 1 66 66 THR CA C 13 59.198 0.3 . 1 . . . . . 446 THR CA . 51895 1 182 . 1 . 1 66 66 THR N N 15 117.811 0.3 . 1 . . . . . 446 THR N . 51895 1 183 . 1 . 1 67 67 GLY H H 1 8.297 0.020 . 1 . . . . . 447 GLY H . 51895 1 184 . 1 . 1 67 67 GLY CA C 13 42.040 0.3 . 1 . . . . . 447 GLY CA . 51895 1 185 . 1 . 1 67 67 GLY N N 15 111.419 0.3 . 1 . . . . . 447 GLY N . 51895 1 186 . 1 . 1 68 68 THR H H 1 7.897 0.020 . 1 . . . . . 448 THR H . 51895 1 187 . 1 . 1 68 68 THR CA C 13 58.579 0.3 . 1 . . . . . 448 THR CA . 51895 1 188 . 1 . 1 68 68 THR N N 15 112.891 0.3 . 1 . . . . . 448 THR N . 51895 1 189 . 1 . 1 69 69 GLU H H 1 8.350 0.020 . 1 . . . . . 449 GLU H . 51895 1 190 . 1 . 1 69 69 GLU CA C 13 51.437 0.3 . 1 . . . . . 449 GLU CA . 51895 1 191 . 1 . 1 69 69 GLU N N 15 124.733 0.3 . 1 . . . . . 449 GLU N . 51895 1 192 . 1 . 1 70 70 PRO CA C 13 60.501 0.3 . 1 . . . . . 450 PRO CA . 51895 1 193 . 1 . 1 71 71 GLY H H 1 8.400 0.020 . 1 . . . . . 451 GLY H . 51895 1 194 . 1 . 1 71 71 GLY CA C 13 41.982 0.3 . 1 . . . . . 451 GLY CA . 51895 1 195 . 1 . 1 71 71 GLY N N 15 109.037 0.3 . 1 . . . . . 451 GLY N . 51895 1 196 . 1 . 1 72 72 GLN H H 1 7.959 0.020 . 1 . . . . . 452 GLN H . 51895 1 197 . 1 . 1 72 72 GLN CA C 13 52.517 0.3 . 1 . . . . . 452 GLN CA . 51895 1 198 . 1 . 1 72 72 GLN N N 15 119.576 0.3 . 1 . . . . . 452 GLN N . 51895 1 199 . 1 . 1 73 73 VAL H H 1 8.111 0.020 . 1 . . . . . 453 VAL H . 51895 1 200 . 1 . 1 73 73 VAL CA C 13 59.616 0.3 . 1 . . . . . 453 VAL CA . 51895 1 201 . 1 . 1 73 73 VAL N N 15 121.506 0.3 . 1 . . . . . 453 VAL N . 51895 1 202 . 1 . 1 74 74 SER H H 1 8.313 0.020 . 1 . . . . . 454 SER H . 51895 1 203 . 1 . 1 74 74 SER CA C 13 55.208 0.3 . 1 . . . . . 454 SER CA . 51895 1 204 . 1 . 1 74 74 SER N N 15 119.339 0.3 . 1 . . . . . 454 SER N . 51895 1 205 . 1 . 1 75 75 SER H H 1 8.213 0.020 . 1 . . . . . 455 SER H . 51895 1 206 . 1 . 1 75 75 SER CA C 13 55.266 0.3 . 1 . . . . . 455 SER CA . 51895 1 207 . 1 . 1 75 75 SER N N 15 117.816 0.3 . 1 . . . . . 455 SER N . 51895 1 208 . 1 . 1 76 76 ARG H H 1 8.177 0.020 . 1 . . . . . 456 ARG H . 51895 1 209 . 1 . 1 76 76 ARG CA C 13 53.003 0.3 . 1 . . . . . 456 ARG CA . 51895 1 210 . 1 . 1 76 76 ARG N N 15 122.630 0.3 . 1 . . . . . 456 ARG N . 51895 1 211 . 1 . 1 77 77 SER H H 1 8.168 0.020 . 1 . . . . . 457 SER H . 51895 1 212 . 1 . 1 77 77 SER CA C 13 55.190 0.3 . 1 . . . . . 457 SER CA . 51895 1 213 . 1 . 1 77 77 SER N N 15 116.711 0.3 . 1 . . . . . 457 SER N . 51895 1 214 . 1 . 1 78 78 SER H H 1 8.233 0.020 . 1 . . . . . 458 SER H . 51895 1 215 . 1 . 1 78 78 SER CA C 13 55.266 0.3 . 1 . . . . . 458 SER CA . 51895 1 216 . 1 . 1 78 78 SER N N 15 117.965 0.3 . 1 . . . . . 458 SER N . 51895 1 217 . 1 . 1 79 79 SER H H 1 8.155 0.020 . 1 . . . . . 459 SER H . 51895 1 218 . 1 . 1 79 79 SER CA C 13 53.235 0.3 . 1 . . . . . 459 SER CA . 51895 1 219 . 1 . 1 79 79 SER N N 15 118.696 0.3 . 1 . . . . . 459 SER N . 51895 1 220 . 1 . 1 80 80 PRO CA C 13 60.449 0.3 . 1 . . . . . 460 PRO CA . 51895 1 221 . 1 . 1 81 81 SER H H 1 8.217 0.020 . 1 . . . . . 461 SER H . 51895 1 222 . 1 . 1 81 81 SER CA C 13 55.266 0.3 . 1 . . . . . 461 SER CA . 51895 1 223 . 1 . 1 81 81 SER N N 15 116.013 0.3 . 1 . . . . . 461 SER N . 51895 1 224 . 1 . 1 82 82 VAL H H 1 7.945 0.020 . 1 . . . . . 462 VAL H . 51895 1 225 . 1 . 1 82 82 VAL CA C 13 59.210 0.3 . 1 . . . . . 462 VAL CA . 51895 1 226 . 1 . 1 82 82 VAL N N 15 121.998 0.3 . 1 . . . . . 462 VAL N . 51895 1 227 . 1 . 1 83 83 ARG H H 1 8.191 0.020 . 1 . . . . . 463 ARG H . 51895 1 228 . 1 . 1 83 83 ARG CA C 13 53.010 0.3 . 1 . . . . . 463 ARG CA . 51895 1 229 . 1 . 1 83 83 ARG N N 15 124.815 0.3 . 1 . . . . . 463 ARG N . 51895 1 230 . 1 . 1 84 84 MET H H 1 8.387 0.020 . 1 . . . . . 464 MET H . 51895 1 231 . 1 . 1 84 84 MET CA C 13 52.460 0.3 . 1 . . . . . 464 MET CA . 51895 1 232 . 1 . 1 84 84 MET N N 15 122.344 0.3 . 1 . . . . . 464 MET N . 51895 1 233 . 1 . 1 85 85 ILE H H 1 8.145 0.020 . 1 . . . . . 465 ILE H . 51895 1 234 . 1 . 1 85 85 ILE CA C 13 57.934 0.3 . 1 . . . . . 465 ILE CA . 51895 1 235 . 1 . 1 85 85 ILE N N 15 123.149 0.3 . 1 . . . . . 465 ILE N . 51895 1 236 . 1 . 1 86 86 THR H H 1 8.168 0.020 . 1 . . . . . 466 THR H . 51895 1 237 . 1 . 1 86 86 THR CA C 13 58.340 0.3 . 1 . . . . . 466 THR CA . 51895 1 238 . 1 . 1 86 86 THR N N 15 118.738 0.3 . 1 . . . . . 466 THR N . 51895 1 239 . 1 . 1 87 87 THR H H 1 8.068 0.020 . 1 . . . . . 467 THR H . 51895 1 240 . 1 . 1 87 87 THR CA C 13 58.514 0.3 . 1 . . . . . 467 THR CA . 51895 1 241 . 1 . 1 87 87 THR N N 15 116.160 0.3 . 1 . . . . . 467 THR N . 51895 1 242 . 1 . 1 88 88 SER H H 1 8.195 0.020 . 1 . . . . . 468 SER H . 51895 1 243 . 1 . 1 88 88 SER CA C 13 55.207 0.3 . 1 . . . . . 468 SER CA . 51895 1 244 . 1 . 1 88 88 SER N N 15 117.873 0.3 . 1 . . . . . 468 SER N . 51895 1 245 . 1 . 1 89 89 GLY H H 1 8.126 0.020 . 1 . . . . . 469 GLY H . 51895 1 246 . 1 . 1 89 89 GLY CA C 13 41.518 0.3 . 1 . . . . . 469 GLY CA . 51895 1 247 . 1 . 1 89 89 GLY N N 15 110.665 0.3 . 1 . . . . . 469 GLY N . 51895 1 248 . 1 . 1 90 90 PRO CA C 13 60.080 0.3 . 1 . . . . . 470 PRO CA . 51895 1 249 . 1 . 1 91 91 THR H H 1 8.205 0.020 . 1 . . . . . 471 THR H . 51895 1 250 . 1 . 1 91 91 THR CA C 13 58.745 0.3 . 1 . . . . . 471 THR CA . 51895 1 251 . 1 . 1 91 91 THR N N 15 114.201 0.3 . 1 . . . . . 471 THR N . 51895 1 252 . 1 . 1 92 92 SER H H 1 8.131 0.020 . 1 . . . . . 472 SER H . 51895 1 253 . 1 . 1 92 92 SER CA C 13 55.185 0.3 . 1 . . . . . 472 SER CA . 51895 1 254 . 1 . 1 92 92 SER N N 15 117.721 0.3 . 1 . . . . . 472 SER N . 51895 1 255 . 1 . 1 93 93 GLU H H 1 8.312 0.020 . 1 . . . . . 473 GLU H . 51895 1 256 . 1 . 1 93 93 GLU CA C 13 53.409 0.3 . 1 . . . . . 473 GLU CA . 51895 1 257 . 1 . 1 93 93 GLU N N 15 123.341 0.3 . 1 . . . . . 473 GLU N . 51895 1 258 . 1 . 1 94 94 LYS H H 1 7.812 0.020 . 1 . . . . . 474 LYS H . 51895 1 259 . 1 . 1 94 94 LYS CA C 13 54.573 0.3 . 1 . . . . . 474 LYS CA . 51895 1 260 . 1 . 1 94 94 LYS N N 15 126.845 0.3 . 1 . . . . . 474 LYS N . 51895 1 stop_ save_