################################### # 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 30284 _Assigned_chem_shift_list.ID 1 _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' . . . 30284 1 2 '3D TROSY-HNCA' . . . 30284 1 3 '3D 15N-NOESY' . . . 30284 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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 GLY H H 1 8.341 0.01 . 1 . . . . A 2 GLY H . 30284 1 2 . 1 1 2 2 GLY CA C 13 44.778 0.14 . 1 . . . . A 2 GLY CA . 30284 1 3 . 1 1 2 2 GLY N N 15 111.657 0.14 . 1 . . . . A 2 GLY N . 30284 1 4 . 1 1 3 3 GLU H H 1 7.498 0.01 . 1 . . . . A 3 GLU H . 30284 1 5 . 1 1 3 3 GLU CA C 13 56.842 0.14 . 1 . . . . A 3 GLU CA . 30284 1 6 . 1 1 3 3 GLU N N 15 118.180 0.14 . 1 . . . . A 3 GLU N . 30284 1 7 . 1 1 5 5 SER H H 1 8.711 0.01 . 1 . . . . A 5 SER H . 30284 1 8 . 1 1 5 5 SER CA C 13 57.317 0.14 . 1 . . . . A 5 SER CA . 30284 1 9 . 1 1 5 5 SER N N 15 114.846 0.14 . 1 . . . . A 5 SER N . 30284 1 10 . 1 1 6 6 ILE H H 1 9.064 0.01 . 1 . . . . A 6 ILE H . 30284 1 11 . 1 1 6 6 ILE CA C 13 58.507 0.14 . 1 . . . . A 6 ILE CA . 30284 1 12 . 1 1 6 6 ILE N N 15 125.801 0.14 . 1 . . . . A 6 ILE N . 30284 1 13 . 1 1 7 7 SER H H 1 9.062 0.01 . 1 . . . . A 7 SER H . 30284 1 14 . 1 1 7 7 SER CA C 13 56.561 0.14 . 1 . . . . A 7 SER CA . 30284 1 15 . 1 1 7 7 SER N N 15 118.948 0.14 . 1 . . . . A 7 SER N . 30284 1 16 . 1 1 8 8 ILE H H 1 8.736 0.01 . 1 . . . . A 8 ILE H . 30284 1 17 . 1 1 8 8 ILE CA C 13 58.360 0.14 . 1 . . . . A 8 ILE CA . 30284 1 18 . 1 1 8 8 ILE N N 15 119.953 0.14 . 1 . . . . A 8 ILE N . 30284 1 19 . 1 1 9 9 GLY H H 1 9.115 0.01 . 1 . . . . A 9 GLY H . 30284 1 20 . 1 1 9 9 GLY CA C 13 45.382 0.14 . 1 . . . . A 9 GLY CA . 30284 1 21 . 1 1 9 9 GLY N N 15 109.831 0.14 . 1 . . . . A 9 GLY N . 30284 1 22 . 1 1 10 10 TYR H H 1 8.839 0.01 . 1 . . . . A 10 TYR H . 30284 1 23 . 1 1 10 10 TYR CA C 13 56.693 0.14 . 1 . . . . A 10 TYR CA . 30284 1 24 . 1 1 10 10 TYR N N 15 122.199 0.14 . 1 . . . . A 10 TYR N . 30284 1 25 . 1 1 11 11 ALA H H 1 6.842 0.01 . 1 . . . . A 11 ALA H . 30284 1 26 . 1 1 11 11 ALA CA C 13 48.354 0.14 . 1 . . . . A 11 ALA CA . 30284 1 27 . 1 1 11 11 ALA N N 15 126.929 0.14 . 1 . . . . A 11 ALA N . 30284 1 28 . 1 1 12 12 GLN H H 1 7.750 0.01 . 1 . . . . A 12 GLN H . 30284 1 29 . 1 1 12 12 GLN CA C 13 54.750 0.14 . 1 . . . . A 12 GLN CA . 30284 1 30 . 1 1 12 12 GLN N N 15 118.732 0.14 . 1 . . . . A 12 GLN N . 30284 1 31 . 1 1 23 23 ASP H H 1 8.127 0.01 . 1 . . . . A 23 ASP H . 30284 1 32 . 1 1 23 23 ASP CA C 13 51.885 0.14 . 1 . . . . A 23 ASP CA . 30284 1 33 . 1 1 23 23 ASP N N 15 114.643 0.14 . 1 . . . . A 23 ASP N . 30284 1 34 . 1 1 26 26 PRO CA C 13 62.884 0.14 . 1 . . . . A 26 PRO CA . 30284 1 35 . 1 1 27 27 ARG H H 1 8.212 0.01 . 1 . . . . A 27 ARG H . 30284 1 36 . 1 1 27 27 ARG CA C 13 54.299 0.14 . 1 . . . . A 27 ARG CA . 30284 1 37 . 1 1 27 27 ARG N N 15 120.938 0.14 . 1 . . . . A 27 ARG N . 30284 1 38 . 1 1 28 28 GLY H H 1 8.652 0.01 . 1 . . . . A 28 GLY H . 30284 1 39 . 1 1 28 28 GLY CA C 13 47.090 0.14 . 1 . . . . A 28 GLY CA . 30284 1 40 . 1 1 28 28 GLY N N 15 111.436 0.14 . 1 . . . . A 28 GLY N . 30284 1 41 . 1 1 29 29 PHE H H 1 8.552 0.01 . 1 . . . . A 29 PHE H . 30284 1 42 . 1 1 29 29 PHE CA C 13 54.750 0.14 . 1 . . . . A 29 PHE CA . 30284 1 43 . 1 1 29 29 PHE N N 15 121.574 0.14 . 1 . . . . A 29 PHE N . 30284 1 44 . 1 1 30 30 ASN H H 1 8.546 0.01 . 1 . . . . A 30 ASN H . 30284 1 45 . 1 1 30 30 ASN CA C 13 50.133 0.14 . 1 . . . . A 30 ASN CA . 30284 1 46 . 1 1 30 30 ASN N N 15 116.935 0.14 . 1 . . . . A 30 ASN N . 30284 1 47 . 1 1 31 31 LEU H H 1 9.121 0.01 . 1 . . . . A 31 LEU H . 30284 1 48 . 1 1 31 31 LEU CA C 13 53.888 0.14 . 1 . . . . A 31 LEU CA . 30284 1 49 . 1 1 31 31 LEU N N 15 128.531 0.14 . 1 . . . . A 31 LEU N . 30284 1 50 . 1 1 32 32 LYS H H 1 8.668 0.01 . 1 . . . . A 32 LYS H . 30284 1 51 . 1 1 32 32 LYS CA C 13 55.854 0.14 . 1 . . . . A 32 LYS CA . 30284 1 52 . 1 1 32 32 LYS N N 15 119.457 0.14 . 1 . . . . A 32 LYS N . 30284 1 53 . 1 1 33 33 TYR H H 1 8.469 0.01 . 1 . . . . A 33 TYR H . 30284 1 54 . 1 1 33 33 TYR CA C 13 56.058 0.14 . 1 . . . . A 33 TYR CA . 30284 1 55 . 1 1 33 33 TYR N N 15 120.526 0.14 . 1 . . . . A 33 TYR N . 30284 1 56 . 1 1 34 34 ARG H H 1 8.496 0.01 . 1 . . . . A 34 ARG H . 30284 1 57 . 1 1 34 34 ARG CA C 13 52.176 0.14 . 1 . . . . A 34 ARG CA . 30284 1 58 . 1 1 34 34 ARG N N 15 129.254 0.14 . 1 . . . . A 34 ARG N . 30284 1 59 . 1 1 35 35 TYR H H 1 8.645 0.01 . 1 . . . . A 35 TYR H . 30284 1 60 . 1 1 35 35 TYR CA C 13 56.777 0.14 . 1 . . . . A 35 TYR CA . 30284 1 61 . 1 1 35 35 TYR N N 15 124.579 0.14 . 1 . . . . A 35 TYR N . 30284 1 62 . 1 1 41 41 TRP HE1 H 1 10.559 0.01 . 1 . . . . A 41 TRP HE1 . 30284 1 63 . 1 1 41 41 TRP CA C 13 56.418 0.14 . 1 . . . . A 41 TRP CA . 30284 1 64 . 1 1 41 41 TRP NE1 N 15 128.954 0.14 . 1 . . . . A 41 TRP NE1 . 30284 1 65 . 1 1 42 42 GLY H H 1 8.658 0.01 . 1 . . . . A 42 GLY H . 30284 1 66 . 1 1 42 42 GLY CA C 13 45.942 0.14 . 1 . . . . A 42 GLY CA . 30284 1 67 . 1 1 42 42 GLY N N 15 107.726 0.14 . 1 . . . . A 42 GLY N . 30284 1 68 . 1 1 43 43 VAL H H 1 8.927 0.01 . 1 . . . . A 43 VAL H . 30284 1 69 . 1 1 43 43 VAL CA C 13 58.685 0.14 . 1 . . . . A 43 VAL CA . 30284 1 70 . 1 1 43 43 VAL N N 15 117.395 0.14 . 1 . . . . A 43 VAL N . 30284 1 71 . 1 1 44 44 ILE H H 1 9.029 0.01 . 1 . . . . A 44 ILE H . 30284 1 72 . 1 1 44 44 ILE CA C 13 58.104 0.14 . 1 . . . . A 44 ILE CA . 30284 1 73 . 1 1 44 44 ILE N N 15 125.539 0.14 . 1 . . . . A 44 ILE N . 30284 1 74 . 1 1 45 45 GLY H H 1 8.957 0.01 . 1 . . . . A 45 GLY H . 30284 1 75 . 1 1 45 45 GLY CA C 13 43.205 0.14 . 1 . . . . A 45 GLY CA . 30284 1 76 . 1 1 45 45 GLY N N 15 110.424 0.14 . 1 . . . . A 45 GLY N . 30284 1 77 . 1 1 46 46 SER H H 1 9.223 0.01 . 1 . . . . A 46 SER H . 30284 1 78 . 1 1 46 46 SER CA C 13 56.279 0.14 . 1 . . . . A 46 SER CA . 30284 1 79 . 1 1 46 46 SER N N 15 116.169 0.14 . 1 . . . . A 46 SER N . 30284 1 80 . 1 1 47 47 PHE H H 1 8.885 0.01 . 1 . . . . A 47 PHE H . 30284 1 81 . 1 1 47 47 PHE CA C 13 55.021 0.14 . 1 . . . . A 47 PHE CA . 30284 1 82 . 1 1 47 47 PHE N N 15 126.564 0.14 . 1 . . . . A 47 PHE N . 30284 1 83 . 1 1 48 48 ALA H H 1 8.500 0.01 . 1 . . . . A 48 ALA H . 30284 1 84 . 1 1 48 48 ALA CA C 13 49.921 0.14 . 1 . . . . A 48 ALA CA . 30284 1 85 . 1 1 48 48 ALA N N 15 133.031 0.14 . 1 . . . . A 48 ALA N . 30284 1 86 . 1 1 49 49 GLN H H 1 7.530 0.01 . 1 . . . . A 49 GLN H . 30284 1 87 . 1 1 49 49 GLN CA C 13 53.824 0.14 . 1 . . . . A 49 GLN CA . 30284 1 88 . 1 1 49 49 GLN N N 15 115.882 0.14 . 1 . . . . A 49 GLN N . 30284 1 89 . 1 1 50 50 THR H H 1 9.305 0.01 . 1 . . . . A 50 THR H . 30284 1 90 . 1 1 50 50 THR CA C 13 59.279 0.14 . 1 . . . . A 50 THR CA . 30284 1 91 . 1 1 50 50 THR N N 15 115.626 0.14 . 1 . . . . A 50 THR N . 30284 1 92 . 1 1 66 66 GLY H H 1 8.206 0.01 . 1 . . . . A 66 GLY H . 30284 1 93 . 1 1 66 66 GLY N N 15 106.022 0.14 . 1 . . . . A 66 GLY N . 30284 1 94 . 1 1 70 70 TYR H H 1 8.729 0.01 . 1 . . . . A 70 TYR H . 30284 1 95 . 1 1 70 70 TYR CA C 13 55.237 0.14 . 1 . . . . A 70 TYR CA . 30284 1 96 . 1 1 70 70 TYR N N 15 123.108 0.14 . 1 . . . . A 70 TYR N . 30284 1 97 . 1 1 71 71 TYR H H 1 8.443 0.01 . 1 . . . . A 71 TYR H . 30284 1 98 . 1 1 71 71 TYR CA C 13 54.750 0.14 . 1 . . . . A 71 TYR CA . 30284 1 99 . 1 1 71 71 TYR N N 15 123.387 0.14 . 1 . . . . A 71 TYR N . 30284 1 100 . 1 1 72 72 SER H H 1 8.758 0.01 . 1 . . . . A 72 SER H . 30284 1 101 . 1 1 72 72 SER CA C 13 55.716 0.14 . 1 . . . . A 72 SER CA . 30284 1 102 . 1 1 72 72 SER N N 15 113.909 0.14 . 1 . . . . A 72 SER N . 30284 1 103 . 1 1 73 73 VAL H H 1 8.129 0.01 . 1 . . . . A 73 VAL H . 30284 1 104 . 1 1 73 73 VAL CA C 13 60.249 0.14 . 1 . . . . A 73 VAL CA . 30284 1 105 . 1 1 73 73 VAL N N 15 118.409 0.14 . 1 . . . . A 73 VAL N . 30284 1 106 . 1 1 74 74 THR H H 1 9.238 0.01 . 1 . . . . A 74 THR H . 30284 1 107 . 1 1 74 74 THR CA C 13 59.231 0.14 . 1 . . . . A 74 THR CA . 30284 1 108 . 1 1 74 74 THR N N 15 115.604 0.14 . 1 . . . . A 74 THR N . 30284 1 109 . 1 1 75 75 ALA H H 1 9.012 0.01 . 1 . . . . A 75 ALA H . 30284 1 110 . 1 1 75 75 ALA CA C 13 51.214 0.14 . 1 . . . . A 75 ALA CA . 30284 1 111 . 1 1 75 75 ALA N N 15 118.971 0.14 . 1 . . . . A 75 ALA N . 30284 1 112 . 1 1 76 76 GLY H H 1 8.762 0.01 . 1 . . . . A 76 GLY H . 30284 1 113 . 1 1 76 76 GLY CA C 13 46.006 0.14 . 1 . . . . A 76 GLY CA . 30284 1 114 . 1 1 76 76 GLY N N 15 103.004 0.14 . 1 . . . . A 76 GLY N . 30284 1 115 . 1 1 77 77 PRO CA C 13 61.502 0.14 . 1 . . . . A 77 PRO CA . 30284 1 116 . 1 1 78 78 VAL H H 1 8.236 0.01 . 1 . . . . A 78 VAL H . 30284 1 117 . 1 1 78 78 VAL CA C 13 58.392 0.14 . 1 . . . . A 78 VAL CA . 30284 1 118 . 1 1 78 78 VAL N N 15 115.601 0.14 . 1 . . . . A 78 VAL N . 30284 1 119 . 1 1 79 79 PHE H H 1 9.457 0.01 . 1 . . . . A 79 PHE H . 30284 1 120 . 1 1 79 79 PHE CA C 13 54.929 0.14 . 1 . . . . A 79 PHE CA . 30284 1 121 . 1 1 79 79 PHE N N 15 130.925 0.14 . 1 . . . . A 79 PHE N . 30284 1 122 . 1 1 80 80 ARG H H 1 8.812 0.01 . 1 . . . . A 80 ARG H . 30284 1 123 . 1 1 80 80 ARG CA C 13 55.448 0.14 . 1 . . . . A 80 ARG CA . 30284 1 124 . 1 1 80 80 ARG N N 15 131.491 0.14 . 1 . . . . A 80 ARG N . 30284 1 125 . 1 1 81 81 ILE H H 1 8.141 0.01 . 1 . . . . A 81 ILE H . 30284 1 126 . 1 1 81 81 ILE CA C 13 63.122 0.14 . 1 . . . . A 81 ILE CA . 30284 1 127 . 1 1 81 81 ILE N N 15 127.124 0.14 . 1 . . . . A 81 ILE N . 30284 1 128 . 1 1 82 82 ASN H H 1 7.812 0.01 . 1 . . . . A 82 ASN H . 30284 1 129 . 1 1 82 82 ASN CA C 13 51.740 0.14 . 1 . . . . A 82 ASN CA . 30284 1 130 . 1 1 82 82 ASN N N 15 112.923 0.14 . 1 . . . . A 82 ASN N . 30284 1 131 . 1 1 83 83 GLU H H 1 9.023 0.01 . 1 . . . . A 83 GLU H . 30284 1 132 . 1 1 83 83 GLU CA C 13 58.798 0.14 . 1 . . . . A 83 GLU CA . 30284 1 133 . 1 1 83 83 GLU N N 15 115.906 0.14 . 1 . . . . A 83 GLU N . 30284 1 134 . 1 1 84 84 TYR H H 1 8.095 0.01 . 1 . . . . A 84 TYR H . 30284 1 135 . 1 1 84 84 TYR CA C 13 58.598 0.14 . 1 . . . . A 84 TYR CA . 30284 1 136 . 1 1 84 84 TYR N N 15 113.771 0.14 . 1 . . . . A 84 TYR N . 30284 1 137 . 1 1 85 85 VAL H H 1 7.817 0.01 . 1 . . . . A 85 VAL H . 30284 1 138 . 1 1 85 85 VAL CA C 13 61.040 0.14 . 1 . . . . A 85 VAL CA . 30284 1 139 . 1 1 85 85 VAL N N 15 117.600 0.14 . 1 . . . . A 85 VAL N . 30284 1 140 . 1 1 86 86 SER H H 1 8.214 0.01 . 1 . . . . A 86 SER H . 30284 1 141 . 1 1 86 86 SER CA C 13 56.710 0.14 . 1 . . . . A 86 SER CA . 30284 1 142 . 1 1 86 86 SER N N 15 118.974 0.14 . 1 . . . . A 86 SER N . 30284 1 143 . 1 1 87 87 LEU H H 1 9.167 0.01 . 1 . . . . A 87 LEU H . 30284 1 144 . 1 1 87 87 LEU CA C 13 53.693 0.14 . 1 . . . . A 87 LEU CA . 30284 1 145 . 1 1 87 87 LEU N N 15 124.178 0.14 . 1 . . . . A 87 LEU N . 30284 1 146 . 1 1 88 88 TYR H H 1 8.676 0.01 . 1 . . . . A 88 TYR H . 30284 1 147 . 1 1 88 88 TYR CA C 13 55.438 0.14 . 1 . . . . A 88 TYR CA . 30284 1 148 . 1 1 88 88 TYR N N 15 118.131 0.14 . 1 . . . . A 88 TYR N . 30284 1 149 . 1 1 89 89 GLY H H 1 7.649 0.01 . 1 . . . . A 89 GLY H . 30284 1 150 . 1 1 89 89 GLY CA C 13 43.194 0.14 . 1 . . . . A 89 GLY CA . 30284 1 151 . 1 1 89 89 GLY N N 15 103.862 0.14 . 1 . . . . A 89 GLY N . 30284 1 152 . 1 1 90 90 LEU H H 1 8.461 0.01 . 1 . . . . A 90 LEU H . 30284 1 153 . 1 1 90 90 LEU CA C 13 53.434 0.14 . 1 . . . . A 90 LEU CA . 30284 1 154 . 1 1 90 90 LEU N N 15 117.712 0.14 . 1 . . . . A 90 LEU N . 30284 1 155 . 1 1 91 91 LEU H H 1 9.231 0.01 . 1 . . . . A 91 LEU H . 30284 1 156 . 1 1 91 91 LEU CA C 13 53.644 0.14 . 1 . . . . A 91 LEU CA . 30284 1 157 . 1 1 91 91 LEU N N 15 121.005 0.14 . 1 . . . . A 91 LEU N . 30284 1 158 . 1 1 92 92 GLY H H 1 8.539 0.01 . 1 . . . . A 92 GLY H . 30284 1 159 . 1 1 92 92 GLY CA C 13 46.687 0.14 . 1 . . . . A 92 GLY CA . 30284 1 160 . 1 1 92 92 GLY N N 15 109.411 0.14 . 1 . . . . A 92 GLY N . 30284 1 161 . 1 1 93 93 ALA H H 1 8.829 0.01 . 1 . . . . A 93 ALA H . 30284 1 162 . 1 1 93 93 ALA CA C 13 49.771 0.14 . 1 . . . . A 93 ALA CA . 30284 1 163 . 1 1 93 93 ALA N N 15 127.108 0.14 . 1 . . . . A 93 ALA N . 30284 1 164 . 1 1 94 94 GLY H H 1 8.843 0.01 . 1 . . . . A 94 GLY H . 30284 1 165 . 1 1 94 94 GLY CA C 13 42.716 0.14 . 1 . . . . A 94 GLY CA . 30284 1 166 . 1 1 94 94 GLY N N 15 107.995 0.14 . 1 . . . . A 94 GLY N . 30284 1 167 . 1 1 95 95 HIS H H 1 9.041 0.01 . 1 . . . . A 95 HIS H . 30284 1 168 . 1 1 95 95 HIS CA C 13 54.225 0.14 . 1 . . . . A 95 HIS CA . 30284 1 169 . 1 1 95 95 HIS N N 15 122.206 0.14 . 1 . . . . A 95 HIS N . 30284 1 170 . 1 1 96 96 GLY H H 1 8.409 0.01 . 1 . . . . A 96 GLY H . 30284 1 171 . 1 1 96 96 GLY CA C 13 42.981 0.14 . 1 . . . . A 96 GLY CA . 30284 1 172 . 1 1 96 96 GLY N N 15 112.510 0.14 . 1 . . . . A 96 GLY N . 30284 1 173 . 1 1 113 113 THR CA C 13 61.417 0.14 . 1 . . . . A 113 THR CA . 30284 1 174 . 1 1 114 114 SER H H 1 9.179 0.01 . 1 . . . . A 114 SER H . 30284 1 175 . 1 1 114 114 SER CA C 13 55.963 0.14 . 1 . . . . A 114 SER CA . 30284 1 176 . 1 1 114 114 SER N N 15 120.075 0.14 . 1 . . . . A 114 SER N . 30284 1 177 . 1 1 115 115 LEU H H 1 8.229 0.01 . 1 . . . . A 115 LEU H . 30284 1 178 . 1 1 115 115 LEU CA C 13 55.567 0.14 . 1 . . . . A 115 LEU CA . 30284 1 179 . 1 1 115 115 LEU N N 15 121.541 0.14 . 1 . . . . A 115 LEU N . 30284 1 180 . 1 1 116 116 ALA H H 1 8.497 0.01 . 1 . . . . A 116 ALA H . 30284 1 181 . 1 1 116 116 ALA CA C 13 50.061 0.14 . 1 . . . . A 116 ALA CA . 30284 1 182 . 1 1 116 116 ALA N N 15 128.944 0.14 . 1 . . . . A 116 ALA N . 30284 1 183 . 1 1 117 117 TYR H H 1 8.289 0.01 . 1 . . . . A 117 TYR H . 30284 1 184 . 1 1 117 117 TYR CA C 13 54.453 0.14 . 1 . . . . A 117 TYR CA . 30284 1 185 . 1 1 117 117 TYR N N 15 115.939 0.14 . 1 . . . . A 117 TYR N . 30284 1 186 . 1 1 118 118 GLY H H 1 9.245 0.01 . 1 . . . . A 118 GLY H . 30284 1 187 . 1 1 118 118 GLY CA C 13 46.130 0.14 . 1 . . . . A 118 GLY CA . 30284 1 188 . 1 1 118 118 GLY N N 15 106.738 0.14 . 1 . . . . A 118 GLY N . 30284 1 189 . 1 1 119 119 ALA H H 1 8.829 0.01 . 1 . . . . A 119 ALA H . 30284 1 190 . 1 1 119 119 ALA CA C 13 51.226 0.14 . 1 . . . . A 119 ALA CA . 30284 1 191 . 1 1 119 119 ALA N N 15 119.403 0.14 . 1 . . . . A 119 ALA N . 30284 1 192 . 1 1 120 120 GLY H H 1 7.909 0.01 . 1 . . . . A 120 GLY H . 30284 1 193 . 1 1 120 120 GLY CA C 13 45.676 0.14 . 1 . . . . A 120 GLY CA . 30284 1 194 . 1 1 120 120 GLY N N 15 105.764 0.14 . 1 . . . . A 120 GLY N . 30284 1 195 . 1 1 121 121 LEU H H 1 8.987 0.01 . 1 . . . . A 121 LEU H . 30284 1 196 . 1 1 121 121 LEU CA C 13 53.017 0.14 . 1 . . . . A 121 LEU CA . 30284 1 197 . 1 1 121 121 LEU N N 15 115.861 0.14 . 1 . . . . A 121 LEU N . 30284 1 198 . 1 1 122 122 GLN H H 1 8.094 0.01 . 1 . . . . A 122 GLN H . 30284 1 199 . 1 1 122 122 GLN CA C 13 54.760 0.14 . 1 . . . . A 122 GLN CA . 30284 1 200 . 1 1 122 122 GLN N N 15 112.510 0.14 . 1 . . . . A 122 GLN N . 30284 1 201 . 1 1 123 123 PHE H H 1 9.960 0.01 . 1 . . . . A 123 PHE H . 30284 1 202 . 1 1 123 123 PHE CA C 13 53.845 0.14 . 1 . . . . A 123 PHE CA . 30284 1 203 . 1 1 123 123 PHE N N 15 126.346 0.14 . 1 . . . . A 123 PHE N . 30284 1 204 . 1 1 124 124 ASN H H 1 9.485 0.01 . 1 . . . . A 124 ASN H . 30284 1 205 . 1 1 124 124 ASN CA C 13 50.860 0.14 . 1 . . . . A 124 ASN CA . 30284 1 206 . 1 1 124 124 ASN N N 15 122.919 0.14 . 1 . . . . A 124 ASN N . 30284 1 207 . 1 1 125 125 PRO CA C 13 63.480 0.14 . 1 . . . . A 125 PRO CA . 30284 1 208 . 1 1 126 126 HIS H H 1 7.558 0.01 . 1 . . . . A 126 HIS H . 30284 1 209 . 1 1 126 126 HIS CA C 13 53.938 0.14 . 1 . . . . A 126 HIS CA . 30284 1 210 . 1 1 126 126 HIS N N 15 116.482 0.14 . 1 . . . . A 126 HIS N . 30284 1 211 . 1 1 129 129 PHE CA C 13 56.281 0.14 . 1 . . . . A 129 PHE CA . 30284 1 212 . 1 1 130 130 VAL H H 1 7.635 0.01 . 1 . . . . A 130 VAL H . 30284 1 213 . 1 1 130 130 VAL CA C 13 60.128 0.14 . 1 . . . . A 130 VAL CA . 30284 1 214 . 1 1 130 130 VAL N N 15 124.116 0.14 . 1 . . . . A 130 VAL N . 30284 1 215 . 1 1 131 131 ILE H H 1 8.791 0.01 . 1 . . . . A 131 ILE H . 30284 1 216 . 1 1 131 131 ILE CA C 13 60.415 0.14 . 1 . . . . A 131 ILE CA . 30284 1 217 . 1 1 131 131 ILE N N 15 124.881 0.14 . 1 . . . . A 131 ILE N . 30284 1 218 . 1 1 132 132 ASP H H 1 8.930 0.01 . 1 . . . . A 132 ASP H . 30284 1 219 . 1 1 132 132 ASP CA C 13 53.325 0.14 . 1 . . . . A 132 ASP CA . 30284 1 220 . 1 1 132 132 ASP N N 15 130.640 0.14 . 1 . . . . A 132 ASP N . 30284 1 221 . 1 1 133 133 ALA H H 1 8.712 0.01 . 1 . . . . A 133 ALA H . 30284 1 222 . 1 1 133 133 ALA CA C 13 51.223 0.14 . 1 . . . . A 133 ALA CA . 30284 1 223 . 1 1 133 133 ALA N N 15 126.820 0.14 . 1 . . . . A 133 ALA N . 30284 1 224 . 1 1 134 134 SER H H 1 9.058 0.01 . 1 . . . . A 134 SER H . 30284 1 225 . 1 1 134 134 SER CA C 13 58.068 0.14 . 1 . . . . A 134 SER CA . 30284 1 226 . 1 1 134 134 SER N N 15 113.771 0.14 . 1 . . . . A 134 SER N . 30284 1 227 . 1 1 135 135 TYR H H 1 8.867 0.01 . 1 . . . . A 135 TYR H . 30284 1 228 . 1 1 135 135 TYR CA C 13 56.138 0.14 . 1 . . . . A 135 TYR CA . 30284 1 229 . 1 1 135 135 TYR N N 15 118.690 0.14 . 1 . . . . A 135 TYR N . 30284 1 230 . 1 1 136 136 GLU H H 1 8.451 0.01 . 1 . . . . A 136 GLU H . 30284 1 231 . 1 1 136 136 GLU CA C 13 53.919 0.14 . 1 . . . . A 136 GLU CA . 30284 1 232 . 1 1 136 136 GLU N N 15 126.281 0.14 . 1 . . . . A 136 GLU N . 30284 1 233 . 1 1 137 137 TYR H H 1 9.126 0.01 . 1 . . . . A 137 TYR H . 30284 1 234 . 1 1 137 137 TYR CA C 13 55.836 0.14 . 1 . . . . A 137 TYR CA . 30284 1 235 . 1 1 137 137 TYR N N 15 123.052 0.14 . 1 . . . . A 137 TYR N . 30284 1 236 . 1 1 138 138 SER H H 1 7.669 0.01 . 1 . . . . A 138 SER H . 30284 1 237 . 1 1 138 138 SER CA C 13 58.261 0.14 . 1 . . . . A 138 SER CA . 30284 1 238 . 1 1 138 138 SER N N 15 118.553 0.14 . 1 . . . . A 138 SER N . 30284 1 239 . 1 1 139 139 LYS H H 1 8.669 0.01 . 1 . . . . A 139 LYS H . 30284 1 240 . 1 1 139 139 LYS CA C 13 55.095 0.14 . 1 . . . . A 139 LYS CA . 30284 1 241 . 1 1 139 139 LYS N N 15 128.457 0.14 . 1 . . . . A 139 LYS N . 30284 1 242 . 1 1 145 145 VAL H H 1 8.625 0.01 . 1 . . . . A 145 VAL H . 30284 1 243 . 1 1 145 145 VAL CA C 13 60.731 0.14 . 1 . . . . A 145 VAL CA . 30284 1 244 . 1 1 145 145 VAL N N 15 123.749 0.14 . 1 . . . . A 145 VAL N . 30284 1 245 . 1 1 146 146 GLY H H 1 8.430 0.01 . 1 . . . . A 146 GLY H . 30284 1 246 . 1 1 146 146 GLY CA C 13 44.016 0.14 . 1 . . . . A 146 GLY CA . 30284 1 247 . 1 1 146 146 GLY N N 15 117.342 0.14 . 1 . . . . A 146 GLY N . 30284 1 248 . 1 1 147 147 THR H H 1 9.024 0.01 . 1 . . . . A 147 THR H . 30284 1 249 . 1 1 147 147 THR CA C 13 61.338 0.14 . 1 . . . . A 147 THR CA . 30284 1 250 . 1 1 147 147 THR N N 15 125.471 0.14 . 1 . . . . A 147 THR N . 30284 1 251 . 1 1 148 148 TRP H H 1 8.398 0.01 . 1 . . . . A 148 TRP H . 30284 1 252 . 1 1 148 148 TRP HE1 H 1 9.788 0.01 . 1 . . . . A 148 TRP HE1 . 30284 1 253 . 1 1 148 148 TRP CA C 13 53.693 0.14 . 1 . . . . A 148 TRP CA . 30284 1 254 . 1 1 148 148 TRP N N 15 123.598 0.14 . 1 . . . . A 148 TRP N . 30284 1 255 . 1 1 148 148 TRP NE1 N 15 128.415 0.14 . 1 . . . . A 148 TRP NE1 . 30284 1 256 . 1 1 149 149 MET H H 1 8.978 0.01 . 1 . . . . A 149 MET H . 30284 1 257 . 1 1 149 149 MET CA C 13 54.425 0.14 . 1 . . . . A 149 MET CA . 30284 1 258 . 1 1 149 149 MET N N 15 117.697 0.14 . 1 . . . . A 149 MET N . 30284 1 259 . 1 1 150 150 LEU H H 1 8.536 0.01 . 1 . . . . A 150 LEU H . 30284 1 260 . 1 1 150 150 LEU CA C 13 54.073 0.14 . 1 . . . . A 150 LEU CA . 30284 1 261 . 1 1 150 150 LEU N N 15 122.685 0.14 . 1 . . . . A 150 LEU N . 30284 1 262 . 1 1 151 151 GLY H H 1 9.783 0.01 . 1 . . . . A 151 GLY H . 30284 1 263 . 1 1 151 151 GLY CA C 13 45.992 0.14 . 1 . . . . A 151 GLY CA . 30284 1 264 . 1 1 151 151 GLY N N 15 112.366 0.14 . 1 . . . . A 151 GLY N . 30284 1 265 . 1 1 152 152 ALA H H 1 8.782 0.01 . 1 . . . . A 152 ALA H . 30284 1 266 . 1 1 152 152 ALA CA C 13 49.823 0.14 . 1 . . . . A 152 ALA CA . 30284 1 267 . 1 1 152 152 ALA N N 15 119.259 0.14 . 1 . . . . A 152 ALA N . 30284 1 268 . 1 1 153 153 GLY H H 1 8.558 0.01 . 1 . . . . A 153 GLY H . 30284 1 269 . 1 1 153 153 GLY CA C 13 46.651 0.14 . 1 . . . . A 153 GLY CA . 30284 1 270 . 1 1 153 153 GLY N N 15 104.366 0.14 . 1 . . . . A 153 GLY N . 30284 1 271 . 1 1 154 154 TYR H H 1 8.368 0.01 . 1 . . . . A 154 TYR H . 30284 1 272 . 1 1 154 154 TYR CA C 13 54.965 0.14 . 1 . . . . A 154 TYR CA . 30284 1 273 . 1 1 154 154 TYR N N 15 122.127 0.14 . 1 . . . . A 154 TYR N . 30284 1 274 . 1 1 155 155 ARG H H 1 7.446 0.01 . 1 . . . . A 155 ARG H . 30284 1 275 . 1 1 155 155 ARG CA C 13 53.472 0.14 . 1 . . . . A 155 ARG CA . 30284 1 276 . 1 1 155 155 ARG N N 15 130.219 0.14 . 1 . . . . A 155 ARG N . 30284 1 stop_ save_