################################### # 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 51201 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name '1H-15N HSQC chemical shifts for cGMP-bound human PKG CBD-B' _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' . . . 51201 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 3 $software_3 . . 51201 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 8 8 HIS H H 1 8.049 0.02 . 1 . . . . . 8 H H . 51201 1 2 . 1 . 1 8 8 HIS N N 15 117.816 0.15 . 1 . . . . . 8 H N . 51201 1 3 . 1 . 1 9 9 THR H H 1 8.004 0.02 . 1 . . . . . 9 T H . 51201 1 4 . 1 . 1 9 9 THR N N 15 113.823 0.15 . 1 . . . . . 9 T N . 51201 1 5 . 1 . 1 10 10 GLU H H 1 7.973 0.02 . 1 . . . . . 10 E H . 51201 1 6 . 1 . 1 10 10 GLU N N 15 123.046 0.15 . 1 . . . . . 10 E N . 51201 1 7 . 1 . 1 11 11 TYR H H 1 8.544 0.02 . 1 . . . . . 11 Y H . 51201 1 8 . 1 . 1 11 11 TYR N N 15 119.523 0.15 . 1 . . . . . 11 Y N . 51201 1 9 . 1 . 1 12 12 MET H H 1 8.310 0.02 . 1 . . . . . 12 M H . 51201 1 10 . 1 . 1 12 12 MET N N 15 119.165 0.15 . 1 . . . . . 12 M N . 51201 1 11 . 1 . 1 13 13 GLU H H 1 8.312 0.02 . 1 . . . . . 13 E H . 51201 1 12 . 1 . 1 13 13 GLU N N 15 117.281 0.15 . 1 . . . . . 13 E N . 51201 1 13 . 1 . 1 14 14 PHE H H 1 8.163 0.02 . 1 . . . . . 14 F H . 51201 1 14 . 1 . 1 14 14 PHE N N 15 119.530 0.15 . 1 . . . . . 14 F N . 51201 1 15 . 1 . 1 17 17 SER H H 1 7.834 0.02 . 1 . . . . . 17 S H . 51201 1 16 . 1 . 1 17 17 SER N N 15 114.325 0.15 . 1 . . . . . 17 S N . 51201 1 17 . 1 . 1 18 18 VAL H H 1 7.439 0.02 . 1 . . . . . 18 V H . 51201 1 18 . 1 . 1 18 18 VAL N N 15 126.837 0.15 . 1 . . . . . 18 V N . 51201 1 19 . 1 . 1 21 21 PHE H H 1 7.478 0.02 . 1 . . . . . 21 F H . 51201 1 20 . 1 . 1 21 21 PHE N N 15 115.763 0.15 . 1 . . . . . 21 F N . 51201 1 21 . 1 . 1 22 22 GLN H H 1 7.702 0.02 . 1 . . . . . 22 Q H . 51201 1 22 . 1 . 1 22 22 GLN N N 15 117.037 0.15 . 1 . . . . . 22 Q N . 51201 1 23 . 1 . 1 23 23 SER H H 1 8.025 0.02 . 1 . . . . . 23 S H . 51201 1 24 . 1 . 1 23 23 SER N N 15 112.532 0.15 . 1 . . . . . 23 S N . 51201 1 25 . 1 . 1 24 24 LEU H H 1 7.553 0.02 . 1 . . . . . 24 L H . 51201 1 26 . 1 . 1 24 24 LEU N N 15 124.087 0.15 . 1 . . . . . 24 L N . 51201 1 27 . 1 . 1 26 26 GLU H H 1 8.965 0.02 . 1 . . . . . 26 E H . 51201 1 28 . 1 . 1 26 26 GLU N N 15 125.137 0.15 . 1 . . . . . 26 E N . 51201 1 29 . 1 . 1 27 27 GLU H H 1 9.268 0.02 . 1 . . . . . 27 E H . 51201 1 30 . 1 . 1 27 27 GLU N N 15 116.392 0.15 . 1 . . . . . 27 E N . 51201 1 31 . 1 . 1 28 28 ILE H H 1 7.224 0.02 . 1 . . . . . 28 I H . 51201 1 32 . 1 . 1 28 28 ILE N N 15 119.020 0.15 . 1 . . . . . 28 I N . 51201 1 33 . 1 . 1 29 29 LEU H H 1 7.797 0.02 . 1 . . . . . 29 L H . 51201 1 34 . 1 . 1 29 29 LEU N N 15 120.218 0.15 . 1 . . . . . 29 L N . 51201 1 35 . 1 . 1 30 30 SER H H 1 8.514 0.02 . 1 . . . . . 30 S H . 51201 1 36 . 1 . 1 30 30 SER N N 15 111.443 0.15 . 1 . . . . . 30 S N . 51201 1 37 . 1 . 1 31 31 LYS H H 1 7.236 0.02 . 1 . . . . . 31 K H . 51201 1 38 . 1 . 1 31 31 LYS N N 15 119.721 0.15 . 1 . . . . . 31 K N . 51201 1 39 . 1 . 1 32 32 LEU H H 1 8.279 0.02 . 1 . . . . . 32 L H . 51201 1 40 . 1 . 1 32 32 LEU N N 15 119.946 0.15 . 1 . . . . . 32 L N . 51201 1 41 . 1 . 1 33 33 ALA H H 1 8.222 0.02 . 1 . . . . . 33 A H . 51201 1 42 . 1 . 1 33 33 ALA N N 15 119.267 0.15 . 1 . . . . . 33 A N . 51201 1 43 . 1 . 1 34 34 ASP H H 1 7.630 0.02 . 1 . . . . . 34 D H . 51201 1 44 . 1 . 1 34 34 ASP N N 15 115.477 0.15 . 1 . . . . . 34 D N . 51201 1 45 . 1 . 1 35 35 VAL H H 1 7.526 0.02 . 1 . . . . . 35 V H . 51201 1 46 . 1 . 1 35 35 VAL N N 15 110.997 0.15 . 1 . . . . . 35 V N . 51201 1 47 . 1 . 1 36 36 LEU H H 1 7.348 0.02 . 1 . . . . . 36 L H . 51201 1 48 . 1 . 1 36 36 LEU N N 15 121.870 0.15 . 1 . . . . . 36 L N . 51201 1 49 . 1 . 1 38 38 GLU H H 1 8.676 0.02 . 1 . . . . . 38 E H . 51201 1 50 . 1 . 1 38 38 GLU N N 15 126.048 0.15 . 1 . . . . . 38 E N . 51201 1 51 . 1 . 1 39 39 THR H H 1 9.085 0.02 . 1 . . . . . 39 T H . 51201 1 52 . 1 . 1 39 39 THR N N 15 121.380 0.15 . 1 . . . . . 39 T N . 51201 1 53 . 1 . 1 40 40 HIS H H 1 8.073 0.02 . 1 . . . . . 40 H H . 51201 1 54 . 1 . 1 40 40 HIS N N 15 122.168 0.15 . 1 . . . . . 40 H N . 51201 1 55 . 1 . 1 41 41 TYR H H 1 9.239 0.02 . 1 . . . . . 41 Y H . 51201 1 56 . 1 . 1 41 41 TYR N N 15 119.603 0.15 . 1 . . . . . 41 Y N . 51201 1 57 . 1 . 1 42 42 GLU H H 1 9.229 0.02 . 1 . . . . . 42 E H . 51201 1 58 . 1 . 1 42 42 GLU N N 15 123.197 0.15 . 1 . . . . . 42 E N . 51201 1 59 . 1 . 1 43 43 ASN H H 1 8.461 0.02 . 1 . . . . . 43 N H . 51201 1 60 . 1 . 1 43 43 ASN N N 15 116.159 0.15 . 1 . . . . . 43 N N . 51201 1 61 . 1 . 1 44 44 GLY H H 1 8.370 0.02 . 1 . . . . . 44 G H . 51201 1 62 . 1 . 1 44 44 GLY N N 15 115.475 0.15 . 1 . . . . . 44 G N . 51201 1 63 . 1 . 1 45 45 GLU H H 1 8.175 0.02 . 1 . . . . . 45 E H . 51201 1 64 . 1 . 1 45 45 GLU N N 15 120.974 0.15 . 1 . . . . . 45 E N . 51201 1 65 . 1 . 1 46 46 TYR H H 1 9.104 0.02 . 1 . . . . . 46 Y H . 51201 1 66 . 1 . 1 46 46 TYR N N 15 123.919 0.15 . 1 . . . . . 46 Y N . 51201 1 67 . 1 . 1 47 47 ILE H H 1 8.686 0.02 . 1 . . . . . 47 I H . 51201 1 68 . 1 . 1 47 47 ILE N N 15 129.890 0.15 . 1 . . . . . 47 I N . 51201 1 69 . 1 . 1 49 49 ARG H H 1 8.576 0.02 . 1 . . . . . 49 R H . 51201 1 70 . 1 . 1 49 49 ARG N N 15 126.704 0.15 . 1 . . . . . 49 R N . 51201 1 71 . 1 . 1 50 50 GLN H H 1 8.409 0.02 . 1 . . . . . 50 Q H . 51201 1 72 . 1 . 1 50 50 GLN N N 15 125.197 0.15 . 1 . . . . . 50 Q N . 51201 1 73 . 1 . 1 51 51 GLY H H 1 8.708 0.02 . 1 . . . . . 51 G H . 51201 1 74 . 1 . 1 51 51 GLY N N 15 113.789 0.15 . 1 . . . . . 51 G N . 51201 1 75 . 1 . 1 52 52 ALA H H 1 7.510 0.02 . 1 . . . . . 52 A H . 51201 1 76 . 1 . 1 52 52 ALA N N 15 122.680 0.15 . 1 . . . . . 52 A N . 51201 1 77 . 1 . 1 53 53 ARG H H 1 8.483 0.02 . 1 . . . . . 53 R H . 51201 1 78 . 1 . 1 53 53 ARG N N 15 119.085 0.15 . 1 . . . . . 53 R N . 51201 1 79 . 1 . 1 54 54 GLY H H 1 8.869 0.02 . 1 . . . . . 54 G H . 51201 1 80 . 1 . 1 54 54 GLY N N 15 110.077 0.15 . 1 . . . . . 54 G N . 51201 1 81 . 1 . 1 56 56 THR H H 1 7.043 0.02 . 1 . . . . . 56 T H . 51201 1 82 . 1 . 1 56 56 THR N N 15 107.851 0.15 . 1 . . . . . 56 T N . 51201 1 83 . 1 . 1 57 57 PHE H H 1 8.716 0.02 . 1 . . . . . 57 F H . 51201 1 84 . 1 . 1 57 57 PHE N N 15 124.041 0.15 . 1 . . . . . 57 F N . 51201 1 85 . 1 . 1 58 58 PHE H H 1 7.670 0.02 . 1 . . . . . 58 F H . 51201 1 86 . 1 . 1 58 58 PHE N N 15 123.009 0.15 . 1 . . . . . 58 F N . 51201 1 87 . 1 . 1 59 59 ILE H H 1 8.738 0.02 . 1 . . . . . 59 I H . 51201 1 88 . 1 . 1 59 59 ILE N N 15 118.246 0.15 . 1 . . . . . 59 I N . 51201 1 89 . 1 . 1 60 60 ILE H H 1 9.105 0.02 . 1 . . . . . 60 I H . 51201 1 90 . 1 . 1 60 60 ILE N N 15 128.054 0.15 . 1 . . . . . 60 I N . 51201 1 91 . 1 . 1 61 61 SER H H 1 8.932 0.02 . 1 . . . . . 61 S H . 51201 1 92 . 1 . 1 61 61 SER N N 15 123.979 0.15 . 1 . . . . . 61 S N . 51201 1 93 . 1 . 1 62 62 LYS H H 1 7.916 0.02 . 1 . . . . . 62 K H . 51201 1 94 . 1 . 1 62 62 LYS N N 15 123.174 0.15 . 1 . . . . . 62 K N . 51201 1 95 . 1 . 1 63 63 GLY H H 1 8.671 0.02 . 1 . . . . . 63 G H . 51201 1 96 . 1 . 1 63 63 GLY N N 15 111.992 0.15 . 1 . . . . . 63 G N . 51201 1 97 . 1 . 1 64 64 THR H H 1 6.188 0.02 . 1 . . . . . 64 T H . 51201 1 98 . 1 . 1 64 64 THR N N 15 106.370 0.15 . 1 . . . . . 64 T N . 51201 1 99 . 1 . 1 65 65 VAL H H 1 8.704 0.02 . 1 . . . . . 65 V H . 51201 1 100 . 1 . 1 65 65 VAL N N 15 110.209 0.15 . 1 . . . . . 65 V N . 51201 1 101 . 1 . 1 66 66 ASN H H 1 9.188 0.02 . 1 . . . . . 66 N H . 51201 1 102 . 1 . 1 66 66 ASN N N 15 118.614 0.15 . 1 . . . . . 66 N N . 51201 1 103 . 1 . 1 67 67 VAL H H 1 8.618 0.02 . 1 . . . . . 67 V H . 51201 1 104 . 1 . 1 67 67 VAL N N 15 123.151 0.15 . 1 . . . . . 67 V N . 51201 1 105 . 1 . 1 68 68 THR H H 1 8.380 0.02 . 1 . . . . . 68 T H . 51201 1 106 . 1 . 1 68 68 THR N N 15 117.590 0.15 . 1 . . . . . 68 T N . 51201 1 107 . 1 . 1 69 69 ARG H H 1 8.929 0.02 . 1 . . . . . 69 R H . 51201 1 108 . 1 . 1 69 69 ARG N N 15 119.560 0.15 . 1 . . . . . 69 R N . 51201 1 109 . 1 . 1 70 70 GLU H H 1 9.909 0.02 . 1 . . . . . 70 E H . 51201 1 110 . 1 . 1 70 70 GLU N N 15 127.496 0.15 . 1 . . . . . 70 E N . 51201 1 111 . 1 . 1 71 71 ASP H H 1 8.936 0.02 . 1 . . . . . 71 D H . 51201 1 112 . 1 . 1 71 71 ASP N N 15 126.780 0.15 . 1 . . . . . 71 D N . 51201 1 113 . 1 . 1 72 72 SER H H 1 7.733 0.02 . 1 . . . . . 72 S H . 51201 1 114 . 1 . 1 72 72 SER N N 15 114.201 0.15 . 1 . . . . . 72 S N . 51201 1 115 . 1 . 1 74 74 SER H H 1 7.981 0.02 . 1 . . . . . 74 S H . 51201 1 116 . 1 . 1 74 74 SER N N 15 111.833 0.15 . 1 . . . . . 74 S N . 51201 1 117 . 1 . 1 75 75 GLU H H 1 7.465 0.02 . 1 . . . . . 75 E H . 51201 1 118 . 1 . 1 75 75 GLU N N 15 120.673 0.15 . 1 . . . . . 75 E N . 51201 1 119 . 1 . 1 76 76 ASP H H 1 8.464 0.02 . 1 . . . . . 76 D H . 51201 1 120 . 1 . 1 76 76 ASP N N 15 121.930 0.15 . 1 . . . . . 76 D N . 51201 1 121 . 1 . 1 78 78 VAL H H 1 8.934 0.02 . 1 . . . . . 78 V H . 51201 1 122 . 1 . 1 78 78 VAL N N 15 123.118 0.15 . 1 . . . . . 78 V N . 51201 1 123 . 1 . 1 79 79 PHE H H 1 8.700 0.02 . 1 . . . . . 79 F H . 51201 1 124 . 1 . 1 79 79 PHE N N 15 127.161 0.15 . 1 . . . . . 79 F N . 51201 1 125 . 1 . 1 80 80 LEU H H 1 8.452 0.02 . 1 . . . . . 80 L H . 51201 1 126 . 1 . 1 80 80 LEU N N 15 126.654 0.15 . 1 . . . . . 80 L N . 51201 1 127 . 1 . 1 81 81 ARG H H 1 6.535 0.02 . 1 . . . . . 81 R H . 51201 1 128 . 1 . 1 81 81 ARG N N 15 111.254 0.15 . 1 . . . . . 81 R N . 51201 1 129 . 1 . 1 82 82 THR H H 1 8.385 0.02 . 1 . . . . . 82 T H . 51201 1 130 . 1 . 1 82 82 THR N N 15 116.367 0.15 . 1 . . . . . 82 T N . 51201 1 131 . 1 . 1 83 83 LEU H H 1 8.496 0.02 . 1 . . . . . 83 L H . 51201 1 132 . 1 . 1 83 83 LEU N N 15 124.338 0.15 . 1 . . . . . 83 L N . 51201 1 133 . 1 . 1 84 84 GLY H H 1 9.594 0.02 . 1 . . . . . 84 G H . 51201 1 134 . 1 . 1 84 84 GLY N N 15 109.515 0.15 . 1 . . . . . 84 G N . 51201 1 135 . 1 . 1 85 85 LYS H H 1 8.172 0.02 . 1 . . . . . 85 K H . 51201 1 136 . 1 . 1 85 85 LYS N N 15 120.007 0.15 . 1 . . . . . 85 K N . 51201 1 137 . 1 . 1 86 86 GLY H H 1 9.660 0.02 . 1 . . . . . 86 G H . 51201 1 138 . 1 . 1 86 86 GLY N N 15 116.681 0.15 . 1 . . . . . 86 G N . 51201 1 139 . 1 . 1 87 87 ASP H H 1 8.637 0.02 . 1 . . . . . 87 D H . 51201 1 140 . 1 . 1 87 87 ASP N N 15 118.205 0.15 . 1 . . . . . 87 D N . 51201 1 141 . 1 . 1 88 88 TRP H H 1 7.467 0.02 . 1 . . . . . 88 W H . 51201 1 142 . 1 . 1 88 88 TRP N N 15 113.750 0.15 . 1 . . . . . 88 W N . 51201 1 143 . 1 . 1 89 89 PHE H H 1 8.723 0.02 . 1 . . . . . 89 F H . 51201 1 144 . 1 . 1 89 89 PHE N N 15 110.913 0.15 . 1 . . . . . 89 F N . 51201 1 145 . 1 . 1 90 90 GLY H H 1 9.786 0.02 . 1 . . . . . 90 G H . 51201 1 146 . 1 . 1 90 90 GLY N N 15 105.731 0.15 . 1 . . . . . 90 G N . 51201 1 147 . 1 . 1 91 91 GLU H H 1 10.476 0.02 . 1 . . . . . 91 E H . 51201 1 148 . 1 . 1 91 91 GLU N N 15 119.158 0.15 . 1 . . . . . 91 E N . 51201 1 149 . 1 . 1 92 92 LYS H H 1 7.236 0.02 . 1 . . . . . 92 K H . 51201 1 150 . 1 . 1 92 92 LYS N N 15 120.504 0.15 . 1 . . . . . 92 K N . 51201 1 151 . 1 . 1 93 93 ALA H H 1 8.470 0.02 . 1 . . . . . 93 A H . 51201 1 152 . 1 . 1 93 93 ALA N N 15 119.903 0.15 . 1 . . . . . 93 A N . 51201 1 153 . 1 . 1 94 94 LEU H H 1 6.808 0.02 . 1 . . . . . 94 L H . 51201 1 154 . 1 . 1 94 94 LEU N N 15 114.443 0.15 . 1 . . . . . 94 L N . 51201 1 155 . 1 . 1 95 95 GLN H H 1 7.482 0.02 . 1 . . . . . 95 Q H . 51201 1 156 . 1 . 1 95 95 GLN N N 15 117.488 0.15 . 1 . . . . . 95 Q N . 51201 1 157 . 1 . 1 96 96 GLY H H 1 7.796 0.02 . 1 . . . . . 96 G H . 51201 1 158 . 1 . 1 96 96 GLY N N 15 109.141 0.15 . 1 . . . . . 96 G N . 51201 1 159 . 1 . 1 97 97 GLU H H 1 8.207 0.02 . 1 . . . . . 97 E H . 51201 1 160 . 1 . 1 97 97 GLU N N 15 123.156 0.15 . 1 . . . . . 97 E N . 51201 1 161 . 1 . 1 98 98 ASP H H 1 8.373 0.02 . 1 . . . . . 98 D H . 51201 1 162 . 1 . 1 98 98 ASP N N 15 120.542 0.15 . 1 . . . . . 98 D N . 51201 1 163 . 1 . 1 99 99 VAL H H 1 7.590 0.02 . 1 . . . . . 99 V H . 51201 1 164 . 1 . 1 99 99 VAL N N 15 114.993 0.15 . 1 . . . . . 99 V N . 51201 1 165 . 1 . 1 101 101 THR H H 1 10.095 0.02 . 1 . . . . . 101 T H . 51201 1 166 . 1 . 1 101 101 THR N N 15 117.833 0.15 . 1 . . . . . 101 T N . 51201 1 167 . 1 . 1 102 102 ALA H H 1 7.413 0.02 . 1 . . . . . 102 A H . 51201 1 168 . 1 . 1 102 102 ALA N N 15 119.739 0.15 . 1 . . . . . 102 A N . 51201 1 169 . 1 . 1 103 103 ASN H H 1 9.105 0.02 . 1 . . . . . 103 N H . 51201 1 170 . 1 . 1 103 103 ASN N N 15 113.254 0.15 . 1 . . . . . 103 N N . 51201 1 171 . 1 . 1 104 104 VAL H H 1 8.659 0.02 . 1 . . . . . 104 V H . 51201 1 172 . 1 . 1 104 104 VAL N N 15 118.876 0.15 . 1 . . . . . 104 V N . 51201 1 173 . 1 . 1 105 105 ILE H H 1 8.989 0.02 . 1 . . . . . 105 I H . 51201 1 174 . 1 . 1 105 105 ILE N N 15 128.632 0.15 . 1 . . . . . 105 I N . 51201 1 175 . 1 . 1 106 106 ALA H H 1 8.724 0.02 . 1 . . . . . 106 A H . 51201 1 176 . 1 . 1 106 106 ALA N N 15 129.987 0.15 . 1 . . . . . 106 A N . 51201 1 177 . 1 . 1 107 107 ALA H H 1 8.665 0.02 . 1 . . . . . 107 A H . 51201 1 178 . 1 . 1 107 107 ALA N N 15 128.784 0.15 . 1 . . . . . 107 A N . 51201 1 179 . 1 . 1 108 108 GLU H H 1 8.182 0.02 . 1 . . . . . 108 E H . 51201 1 180 . 1 . 1 108 108 GLU N N 15 112.897 0.15 . 1 . . . . . 108 E N . 51201 1 181 . 1 . 1 109 109 ALA H H 1 8.234 0.02 . 1 . . . . . 109 A H . 51201 1 182 . 1 . 1 109 109 ALA N N 15 120.792 0.15 . 1 . . . . . 109 A N . 51201 1 183 . 1 . 1 110 110 VAL H H 1 8.567 0.02 . 1 . . . . . 110 V H . 51201 1 184 . 1 . 1 110 110 VAL N N 15 125.909 0.15 . 1 . . . . . 110 V N . 51201 1 185 . 1 . 1 111 111 THR H H 1 8.784 0.02 . 1 . . . . . 111 T H . 51201 1 186 . 1 . 1 111 111 THR N N 15 123.358 0.15 . 1 . . . . . 111 T N . 51201 1 187 . 1 . 1 112 112 CYS H H 1 9.245 0.02 . 1 . . . . . 112 C H . 51201 1 188 . 1 . 1 112 112 CYS N N 15 121.904 0.15 . 1 . . . . . 112 C N . 51201 1 189 . 1 . 1 113 113 LEU H H 1 9.628 0.02 . 1 . . . . . 113 L H . 51201 1 190 . 1 . 1 113 113 LEU N N 15 122.854 0.15 . 1 . . . . . 113 L N . 51201 1 191 . 1 . 1 114 114 VAL H H 1 8.972 0.02 . 1 . . . . . 114 V H . 51201 1 192 . 1 . 1 114 114 VAL N N 15 122.329 0.15 . 1 . . . . . 114 V N . 51201 1 193 . 1 . 1 116 116 ASP H H 1 8.113 0.02 . 1 . . . . . 116 D H . 51201 1 194 . 1 . 1 116 116 ASP N N 15 123.160 0.15 . 1 . . . . . 116 D N . 51201 1 195 . 1 . 1 117 117 ARG H H 1 7.874 0.02 . 1 . . . . . 117 R H . 51201 1 196 . 1 . 1 117 117 ARG N N 15 119.438 0.15 . 1 . . . . . 117 R N . 51201 1 197 . 1 . 1 118 118 ASP H H 1 8.370 0.02 . 1 . . . . . 118 D H . 51201 1 198 . 1 . 1 118 118 ASP N N 15 119.920 0.15 . 1 . . . . . 118 D N . 51201 1 199 . 1 . 1 119 119 SER H H 1 8.451 0.02 . 1 . . . . . 119 S H . 51201 1 200 . 1 . 1 119 119 SER N N 15 119.271 0.15 . 1 . . . . . 119 S N . 51201 1 201 . 1 . 1 120 120 PHE H H 1 8.784 0.02 . 1 . . . . . 120 F H . 51201 1 202 . 1 . 1 120 120 PHE N N 15 121.686 0.15 . 1 . . . . . 120 F N . 51201 1 203 . 1 . 1 121 121 LYS H H 1 8.557 0.02 . 1 . . . . . 121 K H . 51201 1 204 . 1 . 1 121 121 LYS N N 15 120.315 0.15 . 1 . . . . . 121 K N . 51201 1 205 . 1 . 1 122 122 HIS H H 1 7.781 0.02 . 1 . . . . . 122 H H . 51201 1 206 . 1 . 1 122 122 HIS N N 15 114.110 0.15 . 1 . . . . . 122 H N . 51201 1 207 . 1 . 1 123 123 LEU H H 1 8.048 0.02 . 1 . . . . . 123 L H . 51201 1 208 . 1 . 1 123 123 LEU N N 15 115.559 0.15 . 1 . . . . . 123 L N . 51201 1 209 . 1 . 1 124 124 ILE H H 1 7.205 0.02 . 1 . . . . . 124 I H . 51201 1 210 . 1 . 1 124 124 ILE N N 15 112.374 0.15 . 1 . . . . . 124 I N . 51201 1 211 . 1 . 1 125 125 GLY H H 1 7.437 0.02 . 1 . . . . . 125 G H . 51201 1 212 . 1 . 1 125 125 GLY N N 15 106.006 0.15 . 1 . . . . . 125 G N . 51201 1 213 . 1 . 1 126 126 GLY H H 1 7.861 0.02 . 1 . . . . . 126 G H . 51201 1 214 . 1 . 1 126 126 GLY N N 15 106.022 0.15 . 1 . . . . . 126 G N . 51201 1 215 . 1 . 1 127 127 LEU H H 1 7.568 0.02 . 1 . . . . . 127 L H . 51201 1 216 . 1 . 1 127 127 LEU N N 15 122.289 0.15 . 1 . . . . . 127 L N . 51201 1 217 . 1 . 1 128 128 ASP H H 1 8.750 0.02 . 1 . . . . . 128 D H . 51201 1 218 . 1 . 1 128 128 ASP N N 15 126.843 0.15 . 1 . . . . . 128 D N . 51201 1 219 . 1 . 1 129 129 ASP H H 1 8.643 0.02 . 1 . . . . . 129 D H . 51201 1 220 . 1 . 1 129 129 ASP N N 15 115.397 0.15 . 1 . . . . . 129 D N . 51201 1 221 . 1 . 1 130 130 VAL H H 1 7.018 0.02 . 1 . . . . . 130 V H . 51201 1 222 . 1 . 1 130 130 VAL N N 15 115.164 0.15 . 1 . . . . . 130 V N . 51201 1 223 . 1 . 1 131 131 SER H H 1 8.202 0.02 . 1 . . . . . 131 S H . 51201 1 224 . 1 . 1 131 131 SER N N 15 114.377 0.15 . 1 . . . . . 131 S N . 51201 1 225 . 1 . 1 132 132 ASN H H 1 7.949 0.02 . 1 . . . . . 132 N H . 51201 1 226 . 1 . 1 132 132 ASN N N 15 116.931 0.15 . 1 . . . . . 132 N N . 51201 1 227 . 1 . 1 133 133 LYS H H 1 7.235 0.02 . 1 . . . . . 133 K H . 51201 1 228 . 1 . 1 133 133 LYS N N 15 122.254 0.15 . 1 . . . . . 133 K N . 51201 1 229 . 1 . 1 134 134 ALA H H 1 8.285 0.02 . 1 . . . . . 134 A H . 51201 1 230 . 1 . 1 134 134 ALA N N 15 129.991 0.15 . 1 . . . . . 134 A N . 51201 1 231 . 1 . 1 135 135 TYR H H 1 8.206 0.02 . 1 . . . . . 135 Y H . 51201 1 232 . 1 . 1 135 135 TYR N N 15 119.601 0.15 . 1 . . . . . 135 Y N . 51201 1 233 . 1 . 1 137 137 ASP H H 1 8.539 0.02 . 1 . . . . . 137 D H . 51201 1 234 . 1 . 1 137 137 ASP N N 15 121.241 0.15 . 1 . . . . . 137 D N . 51201 1 235 . 1 . 1 138 138 ALA H H 1 8.252 0.02 . 1 . . . . . 138 A H . 51201 1 236 . 1 . 1 138 138 ALA N N 15 124.513 0.15 . 1 . . . . . 138 A N . 51201 1 237 . 1 . 1 139 139 GLU H H 1 8.293 0.02 . 1 . . . . . 139 E H . 51201 1 238 . 1 . 1 139 139 GLU N N 15 119.395 0.15 . 1 . . . . . 139 E N . 51201 1 239 . 1 . 1 144 144 TYR H H 1 8.043 0.02 . 1 . . . . . 144 Y H . 51201 1 240 . 1 . 1 144 144 TYR N N 15 120.720 0.15 . 1 . . . . . 144 Y N . 51201 1 241 . 1 . 1 145 145 GLU H H 1 8.200 0.02 . 1 . . . . . 145 E H . 51201 1 242 . 1 . 1 145 145 GLU N N 15 122.292 0.15 . 1 . . . . . 145 E N . 51201 1 243 . 1 . 1 146 146 ALA H H 1 8.064 0.02 . 1 . . . . . 146 A H . 51201 1 244 . 1 . 1 146 146 ALA N N 15 124.199 0.15 . 1 . . . . . 146 A N . 51201 1 245 . 1 . 1 147 147 GLU H H 1 7.957 0.02 . 1 . . . . . 147 E H . 51201 1 246 . 1 . 1 147 147 GLU N N 15 122.140 0.15 . 1 . . . . . 147 E N . 51201 1 247 . 1 . 1 150 150 PHE H H 1 7.851 0.02 . 1 . . . . . 150 F H . 51201 1 248 . 1 . 1 150 150 PHE N N 15 118.662 0.15 . 1 . . . . . 150 F N . 51201 1 249 . 1 . 1 152 152 ALA H H 1 7.983 0.02 . 1 . . . . . 152 A H . 51201 1 250 . 1 . 1 152 152 ALA N N 15 125.943 0.15 . 1 . . . . . 152 A N . 51201 1 stop_ save_