################################### # 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 51441 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Tetrahymena Ctc1 OB-A domain' _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 TROSY' . . . 51441 1 2 '3D HNCA' . . . 51441 1 3 '3D CBCA(CO)NH' . . . 51441 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 . . 51441 1 2 $software_2 . . 51441 1 4 $software_4 . . 51441 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 GLU H H 1 8.635 0.00 . . . . . . . 2 GLU H . 51441 1 2 . 1 . 1 2 2 GLU N N 15 122.329 0.00 . . . . . . . 2 GLU N . 51441 1 3 . 1 . 1 3 3 ILE H H 1 8.102 0.00 . . . . . . . 3 ILE H . 51441 1 4 . 1 . 1 3 3 ILE N N 15 121.393 0.00 . . . . . . . 3 ILE N . 51441 1 5 . 1 . 1 4 4 GLU H H 1 8.353 0.00 . . . . . . . 4 GLU H . 51441 1 6 . 1 . 1 4 4 GLU N N 15 124.974 0.00 . . . . . . . 4 GLU N . 51441 1 7 . 1 . 1 5 5 GLU H H 1 8.299 0.00 . . . . . . . 5 GLU H . 51441 1 8 . 1 . 1 5 5 GLU N N 15 122.184 0.00 . . . . . . . 5 GLU N . 51441 1 9 . 1 . 1 6 6 ASP H H 1 8.296 0.00 . . . . . . . 6 ASP H . 51441 1 10 . 1 . 1 6 6 ASP N N 15 121.293 0.00 . . . . . . . 6 ASP N . 51441 1 11 . 1 . 1 7 7 LEU H H 1 8.218 0.00 . . . . . . . 7 LEU H . 51441 1 12 . 1 . 1 7 7 LEU N N 15 124.251 0.00 . . . . . . . 7 LEU N . 51441 1 13 . 1 . 1 8 8 ASN H H 1 8.225 0.00 . . . . . . . 8 ASN H . 51441 1 14 . 1 . 1 8 8 ASN N N 15 117.746 0.00 . . . . . . . 8 ASN N . 51441 1 15 . 1 . 1 9 9 LEU H H 1 7.720 0.00 . . . . . . . 9 LEU H . 51441 1 16 . 1 . 1 9 9 LEU N N 15 119.601 0.00 . . . . . . . 9 LEU N . 51441 1 17 . 1 . 1 10 10 LYS H H 1 7.808 0.00 . . . . . . . 10 LYS H . 51441 1 18 . 1 . 1 10 10 LYS N N 15 120.294 0.00 . . . . . . . 10 LYS N . 51441 1 19 . 1 . 1 11 11 ILE H H 1 7.607 0.00 . . . . . . . 11 ILE H . 51441 1 20 . 1 . 1 11 11 ILE N N 15 117.544 0.00 . . . . . . . 11 ILE N . 51441 1 21 . 1 . 1 12 12 LEU H H 1 7.350 0.00 . . . . . . . 12 LEU H . 51441 1 22 . 1 . 1 12 12 LEU N N 15 119.038 0.00 . . . . . . . 12 LEU N . 51441 1 23 . 1 . 1 13 13 GLU H H 1 7.722 0.00 . . . . . . . 13 GLU H . 51441 1 24 . 1 . 1 13 13 GLU N N 15 118.235 0.00 . . . . . . . 13 GLU N . 51441 1 25 . 1 . 1 14 14 ASP H H 1 7.833 0.00 . . . . . . . 14 ASP H . 51441 1 26 . 1 . 1 14 14 ASP N N 15 121.869 0.00 . . . . . . . 14 ASP N . 51441 1 27 . 1 . 1 15 15 VAL H H 1 8.231 0.00 . . . . . . . 15 VAL H . 51441 1 28 . 1 . 1 15 15 VAL N N 15 121.403 0.00 . . . . . . . 15 VAL N . 51441 1 29 . 1 . 1 16 16 LYS H H 1 8.002 0.00 . . . . . . . 16 LYS H . 51441 1 30 . 1 . 1 16 16 LYS N N 15 118.665 0.00 . . . . . . . 16 LYS N . 51441 1 31 . 1 . 1 17 17 LYS H H 1 7.745 0.00 . . . . . . . 17 LYS H . 51441 1 32 . 1 . 1 17 17 LYS N N 15 116.059 0.00 . . . . . . . 17 LYS N . 51441 1 33 . 1 . 1 18 18 LEU H H 1 8.348 0.00 . . . . . . . 18 LEU H . 51441 1 34 . 1 . 1 18 18 LEU N N 15 119.920 0.00 . . . . . . . 18 LEU N . 51441 1 35 . 1 . 1 19 19 TYR H H 1 9.478 0.00 . . . . . . . 19 TYR H . 51441 1 36 . 1 . 1 19 19 TYR N N 15 125.223 0.00 . . . . . . . 19 TYR N . 51441 1 37 . 1 . 1 20 20 LEU H H 1 8.007 0.00 . . . . . . . 20 LEU H . 51441 1 38 . 1 . 1 20 20 LEU N N 15 118.999 0.00 . . . . . . . 20 LEU N . 51441 1 39 . 1 . 1 21 21 GLN H H 1 8.278 0.00 . . . . . . . 21 GLN H . 51441 1 40 . 1 . 1 21 21 GLN N N 15 118.263 0.00 . . . . . . . 21 GLN N . 51441 1 41 . 1 . 1 22 22 SER H H 1 7.885 0.00 . . . . . . . 22 SER H . 51441 1 42 . 1 . 1 22 22 SER N N 15 111.527 0.00 . . . . . . . 22 SER N . 51441 1 43 . 1 . 1 23 23 PHE H H 1 7.386 0.00 . . . . . . . 23 PHE H . 51441 1 44 . 1 . 1 23 23 PHE N N 15 121.326 0.00 . . . . . . . 23 PHE N . 51441 1 45 . 1 . 1 24 24 ASP H H 1 8.772 0.00 . . . . . . . 24 ASP H . 51441 1 46 . 1 . 1 24 24 ASP N N 15 118.094 0.00 . . . . . . . 24 ASP N . 51441 1 47 . 1 . 1 25 25 TYR H H 1 7.733 0.00 . . . . . . . 25 TYR H . 51441 1 48 . 1 . 1 25 25 TYR N N 15 120.249 0.00 . . . . . . . 25 TYR N . 51441 1 49 . 1 . 1 26 26 ILE H H 1 7.912 0.00 . . . . . . . 26 ILE H . 51441 1 50 . 1 . 1 26 26 ILE N N 15 118.787 0.00 . . . . . . . 26 ILE N . 51441 1 51 . 1 . 1 27 27 LYS H H 1 8.168 0.00 . . . . . . . 27 LYS H . 51441 1 52 . 1 . 1 27 27 LYS N N 15 117.645 0.00 . . . . . . . 27 LYS N . 51441 1 53 . 1 . 1 28 28 ASN H H 1 8.082 0.00 . . . . . . . 28 ASN H . 51441 1 54 . 1 . 1 28 28 ASN N N 15 113.103 0.00 . . . . . . . 28 ASN N . 51441 1 55 . 1 . 1 29 29 GLY H H 1 7.550 0.00 . . . . . . . 29 GLY H . 51441 1 56 . 1 . 1 29 29 GLY N N 15 109.916 0.00 . . . . . . . 29 GLY N . 51441 1 57 . 1 . 1 30 30 ILE H H 1 8.027 0.00 . . . . . . . 30 ILE H . 51441 1 58 . 1 . 1 30 30 ILE N N 15 123.261 0.00 . . . . . . . 30 ILE N . 51441 1 59 . 1 . 1 31 31 SER H H 1 8.187 0.00 . . . . . . . 31 SER H . 51441 1 60 . 1 . 1 31 31 SER N N 15 118.102 0.00 . . . . . . . 31 SER N . 51441 1 61 . 1 . 1 33 33 SER H H 1 8.084 0.00 . . . . . . . 33 SER H . 51441 1 62 . 1 . 1 33 33 SER N N 15 117.055 0.00 . . . . . . . 33 SER N . 51441 1 63 . 1 . 1 34 34 LEU H H 1 8.009 0.00 . . . . . . . 34 LEU H . 51441 1 64 . 1 . 1 34 34 LEU N N 15 124.504 0.00 . . . . . . . 34 LEU N . 51441 1 65 . 1 . 1 36 36 SER H H 1 8.214 0.00 . . . . . . . 36 SER H . 51441 1 66 . 1 . 1 36 36 SER N N 15 114.718 0.00 . . . . . . . 36 SER N . 51441 1 67 . 1 . 1 37 37 ASP H H 1 8.204 0.00 . . . . . . . 37 ASP H . 51441 1 68 . 1 . 1 37 37 ASP N N 15 121.372 0.00 . . . . . . . 37 ASP N . 51441 1 69 . 1 . 1 38 38 LYS H H 1 7.953 0.00 . . . . . . . 38 LYS H . 51441 1 70 . 1 . 1 38 38 LYS N N 15 120.693 0.00 . . . . . . . 38 LYS N . 51441 1 71 . 1 . 1 40 40 PHE H H 1 8.024 0.00 . . . . . . . 40 PHE H . 51441 1 72 . 1 . 1 40 40 PHE N N 15 119.872 0.00 . . . . . . . 40 PHE N . 51441 1 73 . 1 . 1 41 41 LEU H H 1 8.032 0.00 . . . . . . . 41 LEU H . 51441 1 74 . 1 . 1 41 41 LEU N N 15 123.135 0.00 . . . . . . . 41 LEU N . 51441 1 75 . 1 . 1 42 42 ALA H H 1 8.229 0.00 . . . . . . . 42 ALA H . 51441 1 76 . 1 . 1 42 42 ALA N N 15 124.503 0.00 . . . . . . . 42 ALA N . 51441 1 77 . 1 . 1 43 43 ASP H H 1 8.169 0.00 . . . . . . . 43 ASP H . 51441 1 78 . 1 . 1 43 43 ASP N N 15 118.934 0.00 . . . . . . . 43 ASP N . 51441 1 79 . 1 . 1 44 44 ASP H H 1 8.065 0.00 . . . . . . . 44 ASP H . 51441 1 80 . 1 . 1 44 44 ASP N N 15 118.810 0.00 . . . . . . . 44 ASP N . 51441 1 81 . 1 . 1 45 45 ASP H H 1 8.090 0.00 . . . . . . . 45 ASP H . 51441 1 82 . 1 . 1 45 45 ASP N N 15 119.806 0.00 . . . . . . . 45 ASP N . 51441 1 83 . 1 . 1 46 46 ILE H H 1 7.810 0.00 . . . . . . . 46 ILE H . 51441 1 84 . 1 . 1 46 46 ILE N N 15 120.091 0.00 . . . . . . . 46 ILE N . 51441 1 85 . 1 . 1 47 47 ASP H H 1 8.317 0.00 . . . . . . . 47 ASP H . 51441 1 86 . 1 . 1 47 47 ASP N N 15 124.829 0.00 . . . . . . . 47 ASP N . 51441 1 87 . 1 . 1 48 48 LEU H H 1 7.977 0.00 . . . . . . . 48 LEU H . 51441 1 88 . 1 . 1 48 48 LEU N N 15 124.565 0.00 . . . . . . . 48 LEU N . 51441 1 89 . 1 . 1 49 49 SER H H 1 8.389 0.00 . . . . . . . 49 SER H . 51441 1 90 . 1 . 1 49 49 SER N N 15 116.092 0.00 . . . . . . . 49 SER N . 51441 1 91 . 1 . 1 50 50 ARG H H 1 7.453 0.00 . . . . . . . 50 ARG H . 51441 1 92 . 1 . 1 50 50 ARG N N 15 120.076 0.00 . . . . . . . 50 ARG N . 51441 1 93 . 1 . 1 51 51 ILE H H 1 8.836 0.00 . . . . . . . 51 ILE H . 51441 1 94 . 1 . 1 51 51 ILE N N 15 114.104 0.00 . . . . . . . 51 ILE N . 51441 1 95 . 1 . 1 52 52 THR H H 1 7.627 0.00 . . . . . . . 52 THR H . 51441 1 96 . 1 . 1 52 52 THR N N 15 117.867 0.00 . . . . . . . 52 THR N . 51441 1 97 . 1 . 1 53 53 PHE H H 1 8.612 0.00 . . . . . . . 53 PHE H . 51441 1 98 . 1 . 1 53 53 PHE N N 15 121.235 0.00 . . . . . . . 53 PHE N . 51441 1 99 . 1 . 1 54 54 LEU H H 1 7.166 0.00 . . . . . . . 54 LEU H . 51441 1 100 . 1 . 1 54 54 LEU N N 15 119.945 0.00 . . . . . . . 54 LEU N . 51441 1 101 . 1 . 1 55 55 TYR H H 1 8.058 0.00 . . . . . . . 55 TYR H . 51441 1 102 . 1 . 1 55 55 TYR N N 15 118.177 0.00 . . . . . . . 55 TYR N . 51441 1 103 . 1 . 1 56 56 LYS H H 1 8.774 0.00 . . . . . . . 56 LYS H . 51441 1 104 . 1 . 1 56 56 LYS N N 15 129.946 0.00 . . . . . . . 56 LYS N . 51441 1 105 . 1 . 1 57 57 PHE H H 1 8.214 0.00 . . . . . . . 57 PHE H . 51441 1 106 . 1 . 1 57 57 PHE N N 15 125.054 0.00 . . . . . . . 57 PHE N . 51441 1 107 . 1 . 1 58 58 ILE H H 1 8.261 0.00 . . . . . . . 58 ILE H . 51441 1 108 . 1 . 1 58 58 ILE N N 15 127.690 0.00 . . . . . . . 58 ILE N . 51441 1 109 . 1 . 1 59 59 SER H H 1 7.489 0.00 . . . . . . . 59 SER H . 51441 1 110 . 1 . 1 59 59 SER N N 15 109.412 0.00 . . . . . . . 59 SER N . 51441 1 111 . 1 . 1 60 60 VAL H H 1 8.687 0.00 . . . . . . . 60 VAL H . 51441 1 112 . 1 . 1 60 60 VAL N N 15 121.198 0.00 . . . . . . . 60 VAL N . 51441 1 113 . 1 . 1 61 61 ASN H H 1 8.700 0.00 . . . . . . . 61 ASN H . 51441 1 114 . 1 . 1 61 61 ASN N N 15 129.623 0.00 . . . . . . . 61 ASN N . 51441 1 115 . 1 . 1 63 63 THR H H 1 8.587 0.00 . . . . . . . 63 THR H . 51441 1 116 . 1 . 1 63 63 THR N N 15 116.391 0.00 . . . . . . . 63 THR N . 51441 1 117 . 1 . 1 64 64 LEU H H 1 8.470 0.00 . . . . . . . 64 LEU H . 51441 1 118 . 1 . 1 64 64 LEU N N 15 128.322 0.00 . . . . . . . 64 LEU N . 51441 1 119 . 1 . 1 65 65 LEU H H 1 8.999 0.00 . . . . . . . 65 LEU H . 51441 1 120 . 1 . 1 65 65 LEU N N 15 123.939 0.00 . . . . . . . 65 LEU N . 51441 1 121 . 1 . 1 66 66 LEU H H 1 8.528 0.00 . . . . . . . 66 LEU H . 51441 1 122 . 1 . 1 66 66 LEU N N 15 129.675 0.00 . . . . . . . 66 LEU N . 51441 1 123 . 1 . 1 67 67 ILE H H 1 8.327 0.00 . . . . . . . 67 ILE H . 51441 1 124 . 1 . 1 67 67 ILE N N 15 120.734 0.00 . . . . . . . 67 ILE N . 51441 1 125 . 1 . 1 71 71 THR H H 1 7.528 0.00 . . . . . . . 71 THR H . 51441 1 126 . 1 . 1 71 71 THR N N 15 106.499 0.00 . . . . . . . 71 THR N . 51441 1 127 . 1 . 1 72 72 GLN H H 1 7.822 0.00 . . . . . . . 72 GLN H . 51441 1 128 . 1 . 1 72 72 GLN N N 15 116.480 0.00 . . . . . . . 72 GLN N . 51441 1 129 . 1 . 1 73 73 ALA H H 1 7.347 0.00 . . . . . . . 73 ALA H . 51441 1 130 . 1 . 1 73 73 ALA N N 15 121.864 0.00 . . . . . . . 73 ALA N . 51441 1 131 . 1 . 1 74 74 LYS H H 1 8.369 0.00 . . . . . . . 74 LYS H . 51441 1 132 . 1 . 1 74 74 LYS N N 15 121.855 0.00 . . . . . . . 74 LYS N . 51441 1 133 . 1 . 1 75 75 ARG H H 1 9.077 0.00 . . . . . . . 75 ARG H . 51441 1 134 . 1 . 1 75 75 ARG N N 15 121.972 0.00 . . . . . . . 75 ARG N . 51441 1 135 . 1 . 1 76 76 ARG H H 1 8.729 0.00 . . . . . . . 76 ARG H . 51441 1 136 . 1 . 1 76 76 ARG N N 15 122.109 0.00 . . . . . . . 76 ARG N . 51441 1 137 . 1 . 1 77 77 ILE H H 1 9.179 0.00 . . . . . . . 77 ILE H . 51441 1 138 . 1 . 1 77 77 ILE N N 15 120.682 0.00 . . . . . . . 77 ILE N . 51441 1 139 . 1 . 1 78 78 PHE H H 1 9.810 0.00 . . . . . . . 78 PHE H . 51441 1 140 . 1 . 1 78 78 PHE N N 15 127.680 0.00 . . . . . . . 78 PHE N . 51441 1 141 . 1 . 1 79 79 GLN H H 1 9.691 0.00 . . . . . . . 79 GLN H . 51441 1 142 . 1 . 1 79 79 GLN N N 15 130.078 0.00 . . . . . . . 79 GLN N . 51441 1 143 . 1 . 1 80 80 GLY H H 1 8.880 0.00 . . . . . . . 80 GLY H . 51441 1 144 . 1 . 1 80 80 GLY N N 15 112.719 0.00 . . . . . . . 80 GLY N . 51441 1 145 . 1 . 1 81 81 GLU H H 1 8.727 0.00 . . . . . . . 81 GLU H . 51441 1 146 . 1 . 1 81 81 GLU N N 15 116.318 0.00 . . . . . . . 81 GLU N . 51441 1 147 . 1 . 1 82 82 TYR H H 1 9.021 0.00 . . . . . . . 82 TYR H . 51441 1 148 . 1 . 1 82 82 TYR N N 15 118.532 0.00 . . . . . . . 82 TYR N . 51441 1 149 . 1 . 1 83 83 LEU H H 1 7.165 0.00 . . . . . . . 83 LEU H . 51441 1 150 . 1 . 1 83 83 LEU N N 15 125.475 0.00 . . . . . . . 83 LEU N . 51441 1 151 . 1 . 1 84 84 TYR H H 1 9.036 0.00 . . . . . . . 84 TYR H . 51441 1 152 . 1 . 1 84 84 TYR N N 15 129.996 0.00 . . . . . . . 84 TYR N . 51441 1 153 . 1 . 1 85 85 GLY H H 1 8.857 0.00 . . . . . . . 85 GLY H . 51441 1 154 . 1 . 1 85 85 GLY N N 15 113.667 0.00 . . . . . . . 85 GLY N . 51441 1 155 . 1 . 1 87 87 LYS H H 1 7.817 0.00 . . . . . . . 87 LYS H . 51441 1 156 . 1 . 1 87 87 LYS N N 15 121.790 0.00 . . . . . . . 87 LYS N . 51441 1 157 . 1 . 1 88 88 LYS H H 1 8.570 0.00 . . . . . . . 88 LYS H . 51441 1 158 . 1 . 1 88 88 LYS N N 15 126.531 0.00 . . . . . . . 88 LYS N . 51441 1 159 . 1 . 1 89 89 ILE H H 1 8.832 0.00 . . . . . . . 89 ILE H . 51441 1 160 . 1 . 1 89 89 ILE N N 15 131.282 0.00 . . . . . . . 89 ILE N . 51441 1 161 . 1 . 1 90 90 GLN H H 1 7.989 0.00 . . . . . . . 90 GLN H . 51441 1 162 . 1 . 1 90 90 GLN N N 15 123.190 0.00 . . . . . . . 90 GLN N . 51441 1 163 . 1 . 1 91 91 PHE H H 1 8.450 0.00 . . . . . . . 91 PHE H . 51441 1 164 . 1 . 1 91 91 PHE N N 15 121.639 0.00 . . . . . . . 91 PHE N . 51441 1 165 . 1 . 1 92 92 ASN H H 1 8.844 0.00 . . . . . . . 92 ASN H . 51441 1 166 . 1 . 1 92 92 ASN N N 15 124.476 0.00 . . . . . . . 92 ASN N . 51441 1 167 . 1 . 1 93 93 ILE H H 1 8.906 0.00 . . . . . . . 93 ILE H . 51441 1 168 . 1 . 1 93 93 ILE N N 15 126.417 0.00 . . . . . . . 93 ILE N . 51441 1 169 . 1 . 1 94 94 ILE H H 1 8.940 0.00 . . . . . . . 94 ILE H . 51441 1 170 . 1 . 1 94 94 ILE N N 15 118.800 0.00 . . . . . . . 94 ILE N . 51441 1 171 . 1 . 1 95 95 ALA H H 1 9.870 0.00 . . . . . . . 95 ALA H . 51441 1 172 . 1 . 1 95 95 ALA N N 15 123.323 0.00 . . . . . . . 95 ALA N . 51441 1 173 . 1 . 1 96 96 LYS H H 1 8.434 0.00 . . . . . . . 96 LYS H . 51441 1 174 . 1 . 1 96 96 LYS N N 15 117.484 0.00 . . . . . . . 96 LYS N . 51441 1 175 . 1 . 1 97 97 ASN H H 1 7.017 0.00 . . . . . . . 97 ASN H . 51441 1 176 . 1 . 1 97 97 ASN N N 15 109.397 0.00 . . . . . . . 97 ASN N . 51441 1 177 . 1 . 1 99 99 GLU H H 1 8.355 0.00 . . . . . . . 99 GLU H . 51441 1 178 . 1 . 1 99 99 GLU N N 15 122.901 0.00 . . . . . . . 99 GLU N . 51441 1 179 . 1 . 1 100 100 ILE H H 1 8.340 0.00 . . . . . . . 100 ILE H . 51441 1 180 . 1 . 1 100 100 ILE N N 15 120.563 0.00 . . . . . . . 100 ILE N . 51441 1 181 . 1 . 1 101 101 GLU H H 1 7.988 0.00 . . . . . . . 101 GLU H . 51441 1 182 . 1 . 1 101 101 GLU N N 15 121.184 0.00 . . . . . . . 101 GLU N . 51441 1 183 . 1 . 1 102 102 ARG H H 1 7.937 0.00 . . . . . . . 102 ARG H . 51441 1 184 . 1 . 1 102 102 ARG N N 15 117.097 0.00 . . . . . . . 102 ARG N . 51441 1 185 . 1 . 1 103 103 GLU H H 1 7.261 0.00 . . . . . . . 103 GLU H . 51441 1 186 . 1 . 1 103 103 GLU N N 15 119.504 0.00 . . . . . . . 103 GLU N . 51441 1 187 . 1 . 1 104 104 LEU H H 1 8.123 0.00 . . . . . . . 104 LEU H . 51441 1 188 . 1 . 1 104 104 LEU N N 15 119.739 0.00 . . . . . . . 104 LEU N . 51441 1 189 . 1 . 1 105 105 ILE H H 1 8.142 0.00 . . . . . . . 105 ILE H . 51441 1 190 . 1 . 1 105 105 ILE N N 15 117.976 0.00 . . . . . . . 105 ILE N . 51441 1 191 . 1 . 1 106 106 GLN H H 1 6.919 0.00 . . . . . . . 106 GLN H . 51441 1 192 . 1 . 1 106 106 GLN N N 15 115.401 0.00 . . . . . . . 106 GLN N . 51441 1 193 . 1 . 1 107 107 PHE H H 1 7.659 0.00 . . . . . . . 107 PHE H . 51441 1 194 . 1 . 1 107 107 PHE N N 15 119.027 0.00 . . . . . . . 107 PHE N . 51441 1 195 . 1 . 1 108 108 PHE H H 1 7.594 0.00 . . . . . . . 108 PHE H . 51441 1 196 . 1 . 1 108 108 PHE N N 15 119.282 0.00 . . . . . . . 108 PHE N . 51441 1 197 . 1 . 1 109 109 LYS H H 1 7.592 0.00 . . . . . . . 109 LYS H . 51441 1 198 . 1 . 1 109 109 LYS N N 15 120.707 0.00 . . . . . . . 109 LYS N . 51441 1 199 . 1 . 1 110 110 LYS H H 1 8.398 0.00 . . . . . . . 110 LYS H . 51441 1 200 . 1 . 1 110 110 LYS N N 15 121.287 0.00 . . . . . . . 110 LYS N . 51441 1 201 . 1 . 1 112 112 TYR H H 1 9.079 0.00 . . . . . . . 112 TYR H . 51441 1 202 . 1 . 1 112 112 TYR N N 15 115.658 0.00 . . . . . . . 112 TYR N . 51441 1 203 . 1 . 1 113 113 GLN H H 1 7.684 0.00 . . . . . . . 113 GLN H . 51441 1 204 . 1 . 1 113 113 GLN N N 15 120.305 0.00 . . . . . . . 113 GLN N . 51441 1 205 . 1 . 1 114 114 CYS H H 1 8.352 0.00 . . . . . . . 114 CYS H . 51441 1 206 . 1 . 1 114 114 CYS N N 15 120.144 0.00 . . . . . . . 114 CYS N . 51441 1 207 . 1 . 1 115 115 TYR H H 1 9.529 0.00 . . . . . . . 115 TYR H . 51441 1 208 . 1 . 1 115 115 TYR N N 15 120.909 0.00 . . . . . . . 115 TYR N . 51441 1 209 . 1 . 1 116 116 ILE H H 1 8.863 0.00 . . . . . . . 116 ILE H . 51441 1 210 . 1 . 1 116 116 ILE N N 15 119.369 0.00 . . . . . . . 116 ILE N . 51441 1 211 . 1 . 1 117 117 MET H H 1 8.273 0.00 . . . . . . . 117 MET H . 51441 1 212 . 1 . 1 117 117 MET N N 15 125.664 0.00 . . . . . . . 117 MET N . 51441 1 213 . 1 . 1 118 118 HIS H H 1 8.800 0.00 . . . . . . . 118 HIS H . 51441 1 214 . 1 . 1 118 118 HIS N N 15 122.451 0.00 . . . . . . . 118 HIS N . 51441 1 215 . 1 . 1 119 119 ASN H H 1 8.251 0.00 . . . . . . . 119 ASN H . 51441 1 216 . 1 . 1 119 119 ASN N N 15 128.755 0.00 . . . . . . . 119 ASN N . 51441 1 217 . 1 . 1 120 120 VAL H H 1 9.289 0.00 . . . . . . . 120 VAL H . 51441 1 218 . 1 . 1 120 120 VAL N N 15 123.621 0.00 . . . . . . . 120 VAL N . 51441 1 219 . 1 . 1 121 121 GLN H H 1 8.299 0.00 . . . . . . . 121 GLN H . 51441 1 220 . 1 . 1 121 121 GLN N N 15 122.937 0.00 . . . . . . . 121 GLN N . 51441 1 221 . 1 . 1 122 122 VAL H H 1 8.508 0.00 . . . . . . . 122 VAL H . 51441 1 222 . 1 . 1 122 122 VAL N N 15 124.963 0.00 . . . . . . . 122 VAL N . 51441 1 223 . 1 . 1 123 123 PHE H H 1 8.930 0.00 . . . . . . . 123 PHE H . 51441 1 224 . 1 . 1 123 123 PHE N N 15 129.768 0.00 . . . . . . . 123 PHE N . 51441 1 225 . 1 . 1 124 124 GLN H H 1 8.134 0.00 . . . . . . . 124 GLN H . 51441 1 226 . 1 . 1 124 124 GLN N N 15 124.000 0.00 . . . . . . . 124 GLN N . 51441 1 227 . 1 . 1 125 125 MET H H 1 8.595 0.00 . . . . . . . 125 MET H . 51441 1 228 . 1 . 1 125 125 MET N N 15 123.017 0.00 . . . . . . . 125 MET N . 51441 1 229 . 1 . 1 126 126 LEU H H 1 8.334 0.00 . . . . . . . 126 LEU H . 51441 1 230 . 1 . 1 126 126 LEU N N 15 124.845 0.00 . . . . . . . 126 LEU N . 51441 1 231 . 1 . 1 127 127 ASN H H 1 8.418 0.00 . . . . . . . 127 ASN H . 51441 1 232 . 1 . 1 127 127 ASN N N 15 120.783 0.00 . . . . . . . 127 ASN N . 51441 1 233 . 1 . 1 128 128 LYS H H 1 8.377 0.00 . . . . . . . 128 LYS H . 51441 1 234 . 1 . 1 128 128 LYS N N 15 122.130 0.00 . . . . . . . 128 LYS N . 51441 1 235 . 1 . 1 129 129 ASN H H 1 8.339 0.00 . . . . . . . 129 ASN H . 51441 1 236 . 1 . 1 129 129 ASN N N 15 119.283 0.00 . . . . . . . 129 ASN N . 51441 1 237 . 1 . 1 133 133 ASN H H 1 8.303 0.00 . . . . . . . 133 ASN H . 51441 1 238 . 1 . 1 133 133 ASN N N 15 118.495 0.00 . . . . . . . 133 ASN N . 51441 1 239 . 1 . 1 134 134 VAL H H 1 7.911 0.00 . . . . . . . 134 VAL H . 51441 1 240 . 1 . 1 134 134 VAL N N 15 119.890 0.00 . . . . . . . 134 VAL N . 51441 1 241 . 1 . 1 135 135 VAL H H 1 8.025 0.00 . . . . . . . 135 VAL H . 51441 1 242 . 1 . 1 135 135 VAL N N 15 123.396 0.00 . . . . . . . 135 VAL N . 51441 1 243 . 1 . 1 136 136 GLU H H 1 8.275 0.00 . . . . . . . 136 GLU H . 51441 1 244 . 1 . 1 136 136 GLU N N 15 123.577 0.00 . . . . . . . 136 GLU N . 51441 1 245 . 1 . 1 137 137 PHE H H 1 8.054 0.00 . . . . . . . 137 PHE H . 51441 1 246 . 1 . 1 137 137 PHE N N 15 119.881 0.00 . . . . . . . 137 PHE N . 51441 1 247 . 1 . 1 138 138 MET H H 1 8.131 0.00 . . . . . . . 138 MET H . 51441 1 248 . 1 . 1 138 138 MET N N 15 121.612 0.00 . . . . . . . 138 MET N . 51441 1 249 . 1 . 1 139 139 ASP H H 1 8.308 0.00 . . . . . . . 139 ASP H . 51441 1 250 . 1 . 1 139 139 ASP N N 15 121.711 0.00 . . . . . . . 139 ASP N . 51441 1 251 . 1 . 1 140 140 SER H H 1 8.093 0.00 . . . . . . . 140 SER H . 51441 1 252 . 1 . 1 140 140 SER N N 15 115.767 0.00 . . . . . . . 140 SER N . 51441 1 253 . 1 . 1 141 141 GLU H H 1 8.457 0.00 . . . . . . . 141 GLU H . 51441 1 254 . 1 . 1 141 141 GLU N N 15 122.487 0.00 . . . . . . . 141 GLU N . 51441 1 255 . 1 . 1 142 142 ASP H H 1 8.153 0.00 . . . . . . . 142 ASP H . 51441 1 256 . 1 . 1 142 142 ASP N N 15 120.284 0.00 . . . . . . . 142 ASP N . 51441 1 257 . 1 . 1 143 143 LEU H H 1 8.028 0.00 . . . . . . . 143 LEU H . 51441 1 258 . 1 . 1 143 143 LEU N N 15 122.374 0.00 . . . . . . . 143 LEU N . 51441 1 259 . 1 . 1 144 144 GLN H H 1 8.248 0.00 . . . . . . . 144 GLN H . 51441 1 260 . 1 . 1 144 144 GLN N N 15 119.767 0.00 . . . . . . . 144 GLN N . 51441 1 261 . 1 . 1 147 147 VAL H H 1 7.953 0.00 . . . . . . . 147 VAL H . 51441 1 262 . 1 . 1 147 147 VAL N N 15 120.405 0.00 . . . . . . . 147 VAL N . 51441 1 263 . 1 . 1 148 148 ASP H H 1 8.243 0.00 . . . . . . . 148 ASP H . 51441 1 264 . 1 . 1 148 148 ASP N N 15 123.123 0.00 . . . . . . . 148 ASP N . 51441 1 265 . 1 . 1 149 149 CYS H H 1 7.946 0.00 . . . . . . . 149 CYS H . 51441 1 266 . 1 . 1 149 149 CYS N N 15 119.490 0.00 . . . . . . . 149 CYS N . 51441 1 267 . 1 . 1 150 150 GLN H H 1 8.387 0.00 . . . . . . . 150 GLN H . 51441 1 268 . 1 . 1 150 150 GLN N N 15 122.925 0.00 . . . . . . . 150 GLN N . 51441 1 269 . 1 . 1 151 151 LEU H H 1 7.791 0.00 . . . . . . . 151 LEU H . 51441 1 270 . 1 . 1 151 151 LEU N N 15 122.649 0.00 . . . . . . . 151 LEU N . 51441 1 271 . 1 . 1 152 152 TYR H H 1 8.627 0.00 . . . . . . . 152 TYR H . 51441 1 272 . 1 . 1 152 152 TYR N N 15 122.754 0.00 . . . . . . . 152 TYR N . 51441 1 273 . 1 . 1 153 153 TYR H H 1 8.455 0.00 . . . . . . . 153 TYR H . 51441 1 274 . 1 . 1 153 153 TYR N N 15 119.600 0.00 . . . . . . . 153 TYR N . 51441 1 275 . 1 . 1 154 154 LEU H H 1 9.306 0.00 . . . . . . . 154 LEU H . 51441 1 276 . 1 . 1 154 154 LEU N N 15 126.378 0.00 . . . . . . . 154 LEU N . 51441 1 277 . 1 . 1 155 155 ILE H H 1 8.667 0.00 . . . . . . . 155 ILE H . 51441 1 278 . 1 . 1 155 155 ILE N N 15 127.251 0.00 . . . . . . . 155 ILE N . 51441 1 279 . 1 . 1 156 156 ASP H H 1 8.261 0.00 . . . . . . . 156 ASP H . 51441 1 280 . 1 . 1 156 156 ASP N N 15 127.690 0.00 . . . . . . . 156 ASP N . 51441 1 281 . 1 . 1 157 157 GLU H H 1 10.021 0.00 . . . . . . . 157 GLU H . 51441 1 282 . 1 . 1 157 157 GLU N N 15 117.770 0.00 . . . . . . . 157 GLU N . 51441 1 283 . 1 . 1 158 158 SER H H 1 8.066 0.00 . . . . . . . 158 SER H . 51441 1 284 . 1 . 1 158 158 SER N N 15 113.929 0.00 . . . . . . . 158 SER N . 51441 1 285 . 1 . 1 159 159 SER H H 1 7.533 0.00 . . . . . . . 159 SER H . 51441 1 286 . 1 . 1 159 159 SER N N 15 119.339 0.00 . . . . . . . 159 SER N . 51441 1 287 . 1 . 1 160 160 HIS H H 1 9.085 0.00 . . . . . . . 160 HIS H . 51441 1 288 . 1 . 1 160 160 HIS N N 15 121.612 0.00 . . . . . . . 160 HIS N . 51441 1 289 . 1 . 1 161 161 VAL H H 1 8.339 0.00 . . . . . . . 161 VAL H . 51441 1 290 . 1 . 1 161 161 VAL N N 15 124.605 0.00 . . . . . . . 161 VAL N . 51441 1 291 . 1 . 1 162 162 LEU H H 1 8.851 0.00 . . . . . . . 162 LEU H . 51441 1 292 . 1 . 1 162 162 LEU N N 15 126.729 0.00 . . . . . . . 162 LEU N . 51441 1 293 . 1 . 1 163 163 GLU H H 1 8.688 0.00 . . . . . . . 163 GLU H . 51441 1 294 . 1 . 1 163 163 GLU N N 15 122.680 0.00 . . . . . . . 163 GLU N . 51441 1 295 . 1 . 1 164 164 ASP H H 1 8.474 0.00 . . . . . . . 164 ASP H . 51441 1 296 . 1 . 1 164 164 ASP N N 15 123.507 0.00 . . . . . . . 164 ASP N . 51441 1 297 . 1 . 1 165 165 ASP H H 1 8.692 0.00 . . . . . . . 165 ASP H . 51441 1 298 . 1 . 1 165 165 ASP N N 15 123.550 0.00 . . . . . . . 165 ASP N . 51441 1 299 . 1 . 1 166 166 SER H H 1 8.208 0.00 . . . . . . . 166 SER H . 51441 1 300 . 1 . 1 166 166 SER N N 15 112.391 0.00 . . . . . . . 166 SER N . 51441 1 301 . 1 . 1 167 167 MET H H 1 7.865 0.00 . . . . . . . 167 MET H . 51441 1 302 . 1 . 1 167 167 MET N N 15 116.962 0.00 . . . . . . . 167 MET N . 51441 1 303 . 1 . 1 168 168 ASP H H 1 8.502 0.00 . . . . . . . 168 ASP H . 51441 1 304 . 1 . 1 168 168 ASP N N 15 121.399 0.00 . . . . . . . 168 ASP N . 51441 1 305 . 1 . 1 169 169 PHE H H 1 9.557 0.00 . . . . . . . 169 PHE H . 51441 1 306 . 1 . 1 169 169 PHE N N 15 123.978 0.00 . . . . . . . 169 PHE N . 51441 1 307 . 1 . 1 170 170 ILE H H 1 8.992 0.00 . . . . . . . 170 ILE H . 51441 1 308 . 1 . 1 170 170 ILE N N 15 121.880 0.00 . . . . . . . 170 ILE N . 51441 1 309 . 1 . 1 171 171 SER H H 1 8.270 0.00 . . . . . . . 171 SER H . 51441 1 310 . 1 . 1 171 171 SER N N 15 115.618 0.00 . . . . . . . 171 SER N . 51441 1 311 . 1 . 1 172 172 THR H H 1 7.410 0.00 . . . . . . . 172 THR H . 51441 1 312 . 1 . 1 172 172 THR N N 15 119.711 0.00 . . . . . . . 172 THR N . 51441 1 313 . 1 . 1 173 173 LEU H H 1 7.686 0.00 . . . . . . . 173 LEU H . 51441 1 314 . 1 . 1 173 173 LEU N N 15 121.005 0.00 . . . . . . . 173 LEU N . 51441 1 315 . 1 . 1 174 174 THR H H 1 8.208 0.00 . . . . . . . 174 THR H . 51441 1 316 . 1 . 1 174 174 THR N N 15 112.391 0.00 . . . . . . . 174 THR N . 51441 1 317 . 1 . 1 175 175 ARG H H 1 7.627 0.00 . . . . . . . 175 ARG H . 51441 1 318 . 1 . 1 175 175 ARG N N 15 121.013 0.00 . . . . . . . 175 ARG N . 51441 1 319 . 1 . 1 176 176 LEU H H 1 7.580 0.00 . . . . . . . 176 LEU H . 51441 1 320 . 1 . 1 176 176 LEU N N 15 119.158 0.00 . . . . . . . 176 LEU N . 51441 1 321 . 1 . 1 177 177 SER H H 1 8.171 0.00 . . . . . . . 177 SER H . 51441 1 322 . 1 . 1 177 177 SER N N 15 112.550 0.00 . . . . . . . 177 SER N . 51441 1 323 . 1 . 1 178 178 ASP H H 1 8.205 0.00 . . . . . . . 178 ASP H . 51441 1 324 . 1 . 1 178 178 ASP N N 15 124.093 0.00 . . . . . . . 178 ASP N . 51441 1 325 . 1 . 1 180 180 PHE H H 1 7.614 0.00 . . . . . . . 180 PHE H . 51441 1 326 . 1 . 1 180 180 PHE N N 15 120.608 0.00 . . . . . . . 180 PHE N . 51441 1 327 . 1 . 1 183 183 ASN H H 1 8.025 0.00 . . . . . . . 183 ASN H . 51441 1 328 . 1 . 1 183 183 ASN N N 15 125.923 0.00 . . . . . . . 183 ASN N . 51441 1 stop_ save_