################################### # 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 51363 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name default _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' . . . 51363 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 . . 51363 1 2 $software_2 . . 51363 1 3 $software_3 . . 51363 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 7 7 TYR H H 1 6.246 . . . . . . . . 14 Y H . 51363 1 2 . 1 . 1 7 7 TYR N N 15 113.732 . . . . . . . . 14 Y N . 51363 1 3 . 1 . 1 8 8 PHE H H 1 6.859 . . . . . . . . 15 F H . 51363 1 4 . 1 . 1 8 8 PHE N N 15 120.746 . . . . . . . . 15 F N . 51363 1 5 . 1 . 1 9 9 PHE H H 1 8.869 . . . . . . . . 16 F H . 51363 1 6 . 1 . 1 9 9 PHE N N 15 124.736 . . . . . . . . 16 F N . 51363 1 7 . 1 . 1 15 15 GLU H H 1 8.599 . . . . . . . . 22 E H . 51363 1 8 . 1 . 1 15 15 GLU N N 15 119.249 . . . . . . . . 22 E N . 51363 1 9 . 1 . 1 17 17 ALA H H 1 8.283 . . . . . . . . 24 A H . 51363 1 10 . 1 . 1 17 17 ALA N N 15 121.882 . . . . . . . . 24 A N . 51363 1 11 . 1 . 1 18 18 GLU H H 1 8.074 . . . . . . . . 25 E H . 51363 1 12 . 1 . 1 18 18 GLU N N 15 117.321 . . . . . . . . 25 E N . 51363 1 13 . 1 . 1 19 19 ASP H H 1 7.601 . . . . . . . . 26 D H . 51363 1 14 . 1 . 1 19 19 ASP N N 15 119.594 . . . . . . . . 26 D N . 51363 1 15 . 1 . 1 20 20 TYR H H 1 7.817 . . . . . . . . 27 Y H . 51363 1 16 . 1 . 1 20 20 TYR N N 15 120.974 . . . . . . . . 27 Y N . 51363 1 17 . 1 . 1 21 21 LEU H H 1 7.600 . . . . . . . . 28 L H . 51363 1 18 . 1 . 1 21 21 LEU N N 15 117.790 . . . . . . . . 28 L N . 51363 1 19 . 1 . 1 23 23 GLN H H 1 8.050 . . . . . . . . 30 Q H . 51363 1 20 . 1 . 1 23 23 GLN N N 15 124.957 . . . . . . . . 30 Q N . 51363 1 21 . 1 . 1 24 24 GLY H H 1 7.707 . . . . . . . . 31 G H . 51363 1 22 . 1 . 1 24 24 GLY N N 15 105.077 . . . . . . . . 31 G N . 51363 1 23 . 1 . 1 25 25 GLY H H 1 7.659 . . . . . . . . 32 G H . 51363 1 24 . 1 . 1 25 25 GLY N N 15 108.313 . . . . . . . . 32 G N . 51363 1 25 . 1 . 1 26 26 MET H H 1 8.369 . . . . . . . . 33 M H . 51363 1 26 . 1 . 1 26 26 MET N N 15 119.184 . . . . . . . . 33 M N . 51363 1 27 . 1 . 1 27 27 THR H H 1 6.509 . . . . . . . . 34 T H . 51363 1 28 . 1 . 1 27 27 THR N N 15 109.408 . . . . . . . . 34 T N . 51363 1 29 . 1 . 1 28 28 ASP H H 1 8.467 . . . . . . . . 35 D H . 51363 1 30 . 1 . 1 28 28 ASP N N 15 121.135 . . . . . . . . 35 D N . 51363 1 31 . 1 . 1 29 29 GLY H H 1 9.573 . . . . . . . . 36 G H . 51363 1 32 . 1 . 1 29 29 GLY N N 15 112.863 . . . . . . . . 36 G N . 51363 1 33 . 1 . 1 30 30 LEU H H 1 8.054 . . . . . . . . 37 L H . 51363 1 34 . 1 . 1 30 30 LEU N N 15 128.383 . . . . . . . . 37 L N . 51363 1 35 . 1 . 1 31 31 TYR H H 1 8.051 . . . . . . . . 38 Y H . 51363 1 36 . 1 . 1 31 31 TYR N N 15 121.620 . . . . . . . . 38 Y N . 51363 1 37 . 1 . 1 32 32 LEU H H 1 9.019 . . . . . . . . 39 L H . 51363 1 38 . 1 . 1 32 32 LEU N N 15 114.309 . . . . . . . . 39 L N . 51363 1 39 . 1 . 1 33 33 LEU H H 1 9.145 . . . . . . . . 40 L H . 51363 1 40 . 1 . 1 33 33 LEU N N 15 120.775 . . . . . . . . 40 L N . 51363 1 41 . 1 . 1 34 34 ARG H H 1 9.619 . . . . . . . . 41 R H . 51363 1 42 . 1 . 1 34 34 ARG N N 15 122.358 . . . . . . . . 41 R N . 51363 1 43 . 1 . 1 35 35 GLN H H 1 8.363 . . . . . . . . 42 Q H . 51363 1 44 . 1 . 1 35 35 GLN N N 15 123.904 . . . . . . . . 42 Q N . 51363 1 45 . 1 . 1 36 36 SER H H 1 7.819 . . . . . . . . 43 S H . 51363 1 46 . 1 . 1 36 36 SER N N 15 119.698 . . . . . . . . 43 S N . 51363 1 47 . 1 . 1 38 38 ASN H H 1 7.360 . . . . . . . . 45 N H . 51363 1 48 . 1 . 1 38 38 ASN N N 15 123.413 . . . . . . . . 45 N N . 51363 1 49 . 1 . 1 42 42 GLY H H 1 7.886 . . . . . . . . 49 G H . 51363 1 50 . 1 . 1 42 42 GLY N N 15 105.774 . . . . . . . . 49 G N . 51363 1 51 . 1 . 1 43 43 PHE H H 1 9.395 . . . . . . . . 50 F H . 51363 1 52 . 1 . 1 43 43 PHE N N 15 117.980 . . . . . . . . 50 F N . 51363 1 53 . 1 . 1 44 44 ALA H H 1 9.273 . . . . . . . . 51 A H . 51363 1 54 . 1 . 1 44 44 ALA N N 15 123.035 . . . . . . . . 51 A N . 51363 1 55 . 1 . 1 45 45 LEU H H 1 9.298 . . . . . . . . 52 L H . 51363 1 56 . 1 . 1 45 45 LEU N N 15 126.128 . . . . . . . . 52 L N . 51363 1 57 . 1 . 1 46 46 SER H H 1 8.694 . . . . . . . . 53 S H . 51363 1 58 . 1 . 1 46 46 SER N N 15 124.166 . . . . . . . . 53 S N . 51363 1 59 . 1 . 1 47 47 VAL H H 1 9.202 . . . . . . . . 54 V H . 51363 1 60 . 1 . 1 47 47 VAL N N 15 124.254 . . . . . . . . 54 V N . 51363 1 61 . 1 . 1 48 48 ALA H H 1 8.856 . . . . . . . . 55 A H . 51363 1 62 . 1 . 1 48 48 ALA N N 15 130.845 . . . . . . . . 55 A N . 51363 1 63 . 1 . 1 49 49 HIS H H 1 8.956 . . . . . . . . 56 H H . 51363 1 64 . 1 . 1 49 49 HIS N N 15 119.775 . . . . . . . . 56 H N . 51363 1 65 . 1 . 1 50 50 ASN H H 1 8.820 . . . . . . . . 57 N H . 51363 1 66 . 1 . 1 50 50 ASN N N 15 128.783 . . . . . . . . 57 N N . 51363 1 67 . 1 . 1 51 51 ARG H H 1 9.519 . . . . . . . . 58 R H . 51363 1 68 . 1 . 1 51 51 ARG N N 15 109.167 . . . . . . . . 58 R N . 51363 1 69 . 1 . 1 52 52 LYS H H 1 7.656 . . . . . . . . 59 K H . 51363 1 70 . 1 . 1 52 52 LYS N N 15 120.086 . . . . . . . . 59 K N . 51363 1 71 . 1 . 1 53 53 ALA H H 1 8.295 . . . . . . . . 60 A H . 51363 1 72 . 1 . 1 53 53 ALA N N 15 123.785 . . . . . . . . 60 A N . 51363 1 73 . 1 . 1 54 54 HIS H H 1 8.936 . . . . . . . . 61 H H . 51363 1 74 . 1 . 1 54 54 HIS N N 15 123.744 . . . . . . . . 61 H N . 51363 1 75 . 1 . 1 55 55 HIS H H 1 8.169 . . . . . . . . 62 H H . 51363 1 76 . 1 . 1 55 55 HIS N N 15 120.980 . . . . . . . . 62 H N . 51363 1 77 . 1 . 1 56 56 TYR H H 1 9.301 . . . . . . . . 63 Y H . 51363 1 78 . 1 . 1 56 56 TYR N N 15 122.504 . . . . . . . . 63 Y N . 51363 1 79 . 1 . 1 57 57 THR H H 1 9.051 . . . . . . . . 64 T H . 51363 1 80 . 1 . 1 57 57 THR N N 15 122.106 . . . . . . . . 64 T N . 51363 1 81 . 1 . 1 58 58 ILE H H 1 9.222 . . . . . . . . 65 I H . 51363 1 82 . 1 . 1 58 58 ILE N N 15 130.104 . . . . . . . . 65 I N . 51363 1 83 . 1 . 1 59 59 GLU H H 1 8.425 . . . . . . . . 66 E H . 51363 1 84 . 1 . 1 59 59 GLU N N 15 127.373 . . . . . . . . 66 E N . 51363 1 85 . 1 . 1 61 61 GLU H H 1 8.805 . . . . . . . . 68 E H . 51363 1 86 . 1 . 1 61 61 GLU N N 15 130.084 . . . . . . . . 68 E N . 51363 1 87 . 1 . 1 62 62 LEU H H 1 8.724 . . . . . . . . 69 L H . 51363 1 88 . 1 . 1 62 62 LEU N N 15 123.073 . . . . . . . . 69 L N . 51363 1 89 . 1 . 1 63 63 ASN H H 1 7.848 . . . . . . . . 70 N H . 51363 1 90 . 1 . 1 63 63 ASN N N 15 114.096 . . . . . . . . 70 N N . 51363 1 91 . 1 . 1 64 64 GLY H H 1 8.138 . . . . . . . . 71 G H . 51363 1 92 . 1 . 1 64 64 GLY N N 15 107.787 . . . . . . . . 71 G N . 51363 1 93 . 1 . 1 65 65 THR H H 1 6.844 . . . . . . . . 72 T H . 51363 1 94 . 1 . 1 65 65 THR N N 15 109.172 . . . . . . . . 72 T N . 51363 1 95 . 1 . 1 66 66 TYR H H 1 9.025 . . . . . . . . 73 Y H . 51363 1 96 . 1 . 1 66 66 TYR N N 15 116.164 . . . . . . . . 73 Y N . 51363 1 97 . 1 . 1 67 67 ALA H H 1 8.557 . . . . . . . . 74 A H . 51363 1 98 . 1 . 1 67 67 ALA N N 15 121.944 . . . . . . . . 74 A N . 51363 1 99 . 1 . 1 68 68 ILE H H 1 9.594 . . . . . . . . 75 I H . 51363 1 100 . 1 . 1 68 68 ILE N N 15 124.587 . . . . . . . . 75 I N . 51363 1 101 . 1 . 1 69 69 SER H H 1 9.226 . . . . . . . . 76 S H . 51363 1 102 . 1 . 1 69 69 SER N N 15 123.158 . . . . . . . . 76 S N . 51363 1 103 . 1 . 1 70 70 GLY H H 1 8.867 . . . . . . . . 77 G H . 51363 1 104 . 1 . 1 70 70 GLY N N 15 112.957 . . . . . . . . 77 G N . 51363 1 105 . 1 . 1 71 71 GLY H H 1 8.226 . . . . . . . . 78 G H . 51363 1 106 . 1 . 1 71 71 GLY N N 15 109.278 . . . . . . . . 78 G N . 51363 1 107 . 1 . 1 72 72 ARG H H 1 8.089 . . . . . . . . 79 R H . 51363 1 108 . 1 . 1 72 72 ARG N N 15 120.158 . . . . . . . . 79 R N . 51363 1 109 . 1 . 1 73 73 ALA H H 1 7.666 . . . . . . . . 80 A H . 51363 1 110 . 1 . 1 73 73 ALA N N 15 123.649 . . . . . . . . 80 A N . 51363 1 111 . 1 . 1 74 74 HIS H H 1 9.276 . . . . . . . . 81 H H . 51363 1 112 . 1 . 1 74 74 HIS N N 15 120.501 . . . . . . . . 81 H N . 51363 1 113 . 1 . 1 75 75 ALA H H 1 9.571 . . . . . . . . 82 A H . 51363 1 114 . 1 . 1 75 75 ALA N N 15 123.054 . . . . . . . . 82 A N . 51363 1 115 . 1 . 1 76 76 SER H H 1 7.429 . . . . . . . . 83 S H . 51363 1 116 . 1 . 1 76 76 SER N N 15 106.807 . . . . . . . . 83 S N . 51363 1 117 . 1 . 1 78 78 ALA H H 1 7.855 . . . . . . . . 85 A H . 51363 1 118 . 1 . 1 78 78 ALA N N 15 120.533 . . . . . . . . 85 A N . 51363 1 119 . 1 . 1 79 79 ASP H H 1 7.739 . . . . . . . . 86 D H . 51363 1 120 . 1 . 1 79 79 ASP N N 15 119.596 . . . . . . . . 86 D N . 51363 1 121 . 1 . 1 80 80 LEU H H 1 7.345 . . . . . . . . 87 L H . 51363 1 122 . 1 . 1 80 80 LEU N N 15 124.136 . . . . . . . . 87 L N . 51363 1 123 . 1 . 1 81 81 CYS H H 1 7.908 . . . . . . . . 88 C H . 51363 1 124 . 1 . 1 81 81 CYS N N 15 118.527 . . . . . . . . 88 C N . 51363 1 125 . 1 . 1 82 82 HIS H H 1 8.044 . . . . . . . . 89 H H . 51363 1 126 . 1 . 1 82 82 HIS N N 15 119.911 . . . . . . . . 89 H N . 51363 1 127 . 1 . 1 83 83 TYR H H 1 8.410 . . . . . . . . 90 Y H . 51363 1 128 . 1 . 1 83 83 TYR N N 15 124.064 . . . . . . . . 90 Y N . 51363 1 129 . 1 . 1 84 84 HIS H H 1 7.909 . . . . . . . . 91 H H . 51363 1 130 . 1 . 1 84 84 HIS N N 15 116.961 . . . . . . . . 91 H N . 51363 1 131 . 1 . 1 85 85 SER H H 1 7.376 . . . . . . . . 92 S H . 51363 1 132 . 1 . 1 85 85 SER N N 15 115.980 . . . . . . . . 92 S N . 51363 1 133 . 1 . 1 86 86 GLN H H 1 7.420 . . . . . . . . 93 Q H . 51363 1 134 . 1 . 1 86 86 GLN N N 15 120.184 . . . . . . . . 93 Q N . 51363 1 135 . 1 . 1 89 89 ASP H H 1 8.045 . . . . . . . . 96 D H . 51363 1 136 . 1 . 1 89 89 ASP N N 15 116.833 . . . . . . . . 96 D N . 51363 1 137 . 1 . 1 90 90 GLY H H 1 8.164 . . . . . . . . 97 G H . 51363 1 138 . 1 . 1 90 90 GLY N N 15 106.998 . . . . . . . . 97 G N . 51363 1 139 . 1 . 1 92 92 ILE H H 1 6.843 . . . . . . . . 99 I H . 51363 1 140 . 1 . 1 92 92 ILE N N 15 116.674 . . . . . . . . 99 I N . 51363 1 141 . 1 . 1 94 94 LEU H H 1 7.615 . . . . . . . . 101 L H . 51363 1 142 . 1 . 1 94 94 LEU N N 15 116.527 . . . . . . . . 101 L N . 51363 1 143 . 1 . 1 95 95 LEU H H 1 7.644 . . . . . . . . 102 L H . 51363 1 144 . 1 . 1 95 95 LEU N N 15 121.561 . . . . . . . . 102 L N . 51363 1 145 . 1 . 1 97 97 LYS H H 1 7.542 . . . . . . . . 104 K H . 51363 1 146 . 1 . 1 97 97 LYS N N 15 121.098 . . . . . . . . 104 K N . 51363 1 147 . 1 . 1 99 99 PHE H H 1 9.118 . . . . . . . . 106 F H . 51363 1 148 . 1 . 1 99 99 PHE N N 15 126.187 . . . . . . . . 106 F N . 51363 1 149 . 1 . 1 100 100 ASN H H 1 6.909 . . . . . . . . 107 N H . 51363 1 150 . 1 . 1 100 100 ASN N N 15 120.831 . . . . . . . . 107 N N . 51363 1 151 . 1 . 1 101 101 ARG H H 1 7.881 . . . . . . . . 108 R H . 51363 1 152 . 1 . 1 101 101 ARG N N 15 118.590 . . . . . . . . 108 R N . 51363 1 153 . 1 . 1 105 105 VAL H H 1 7.820 . . . . . . . . 112 V H . 51363 1 154 . 1 . 1 105 105 VAL N N 15 122.895 . . . . . . . . 112 V N . 51363 1 155 . 1 . 1 106 106 GLN H H 1 8.479 . . . . . . . . 113 Q H . 51363 1 156 . 1 . 1 106 106 GLN N N 15 127.761 . . . . . . . . 113 Q N . 51363 1 157 . 1 . 1 161 161 PHE H H 1 7.587 . . . . . . . . 168 F H . 51363 1 158 . 1 . 1 161 161 PHE N N 15 123.952 . . . . . . . . 168 F N . 51363 1 159 . 1 . 1 162 162 HIS H H 1 8.717 . . . . . . . . 169 H H . 51363 1 160 . 1 . 1 162 162 HIS N N 15 127.740 . . . . . . . . 169 H N . 51363 1 161 . 1 . 1 165 165 ILE H H 1 7.090 . . . . . . . . 172 I H . 51363 1 162 . 1 . 1 165 165 ILE N N 15 117.378 . . . . . . . . 172 I N . 51363 1 163 . 1 . 1 166 166 SER H H 1 8.997 . . . . . . . . 173 S H . 51363 1 164 . 1 . 1 166 166 SER N N 15 119.681 . . . . . . . . 173 S N . 51363 1 165 . 1 . 1 167 167 ARG H H 1 9.279 . . . . . . . . 174 R H . 51363 1 166 . 1 . 1 167 167 ARG N N 15 124.293 . . . . . . . . 174 R N . 51363 1 167 . 1 . 1 168 168 ASP H H 1 8.554 . . . . . . . . 175 D H . 51363 1 168 . 1 . 1 168 168 ASP N N 15 120.019 . . . . . . . . 175 D N . 51363 1 169 . 1 . 1 169 169 GLU H H 1 7.954 . . . . . . . . 176 E H . 51363 1 170 . 1 . 1 169 169 GLU N N 15 120.876 . . . . . . . . 176 E N . 51363 1 171 . 1 . 1 170 170 SER H H 1 8.599 . . . . . . . . 177 S H . 51363 1 172 . 1 . 1 170 170 SER N N 15 119.249 . . . . . . . . 177 S N . 51363 1 173 . 1 . 1 171 171 GLU H H 1 7.663 . . . . . . . . 178 E H . 51363 1 174 . 1 . 1 171 171 GLU N N 15 122.877 . . . . . . . . 178 E N . 51363 1 175 . 1 . 1 172 172 GLN H H 1 7.544 . . . . . . . . 179 Q H . 51363 1 176 . 1 . 1 172 172 GLN N N 15 115.351 . . . . . . . . 179 Q N . 51363 1 177 . 1 . 1 173 173 THR H H 1 7.866 . . . . . . . . 180 T H . 51363 1 178 . 1 . 1 173 173 THR N N 15 114.857 . . . . . . . . 180 T N . 51363 1 179 . 1 . 1 174 174 VAL H H 1 7.817 . . . . . . . . 181 V H . 51363 1 180 . 1 . 1 174 174 VAL N N 15 120.974 . . . . . . . . 181 V N . 51363 1 181 . 1 . 1 175 175 LEU H H 1 7.139 . . . . . . . . 182 L H . 51363 1 182 . 1 . 1 175 175 LEU N N 15 117.971 . . . . . . . . 182 L N . 51363 1 183 . 1 . 1 176 176 ILE H H 1 6.983 . . . . . . . . 183 I H . 51363 1 184 . 1 . 1 176 176 ILE N N 15 121.260 . . . . . . . . 183 I N . 51363 1 185 . 1 . 1 177 177 GLY H H 1 8.209 . . . . . . . . 184 G H . 51363 1 186 . 1 . 1 177 177 GLY N N 15 112.827 . . . . . . . . 184 G N . 51363 1 187 . 1 . 1 180 180 THR H H 1 7.118 . . . . . . . . 187 T H . 51363 1 188 . 1 . 1 180 180 THR N N 15 119.375 . . . . . . . . 187 T N . 51363 1 189 . 1 . 1 181 181 ASN H H 1 8.733 . . . . . . . . 188 N H . 51363 1 190 . 1 . 1 181 181 ASN N N 15 126.155 . . . . . . . . 188 N N . 51363 1 191 . 1 . 1 182 182 GLY H H 1 9.590 . . . . . . . . 189 G H . 51363 1 192 . 1 . 1 182 182 GLY N N 15 113.713 . . . . . . . . 189 G N . 51363 1 193 . 1 . 1 183 183 LYS H H 1 7.613 . . . . . . . . 190 K H . 51363 1 194 . 1 . 1 183 183 LYS N N 15 124.456 . . . . . . . . 190 K N . 51363 1 195 . 1 . 1 184 184 PHE H H 1 8.044 . . . . . . . . 191 F H . 51363 1 196 . 1 . 1 184 184 PHE N N 15 119.911 . . . . . . . . 191 F N . 51363 1 197 . 1 . 1 185 185 LEU H H 1 8.791 . . . . . . . . 192 L H . 51363 1 198 . 1 . 1 185 185 LEU N N 15 116.194 . . . . . . . . 192 L N . 51363 1 199 . 1 . 1 186 186 ILE H H 1 9.264 . . . . . . . . 193 I H . 51363 1 200 . 1 . 1 186 186 ILE N N 15 120.402 . . . . . . . . 193 I N . 51363 1 201 . 1 . 1 187 187 ARG H H 1 9.118 . . . . . . . . 194 R H . 51363 1 202 . 1 . 1 187 187 ARG N N 15 124.153 . . . . . . . . 194 R N . 51363 1 203 . 1 . 1 188 188 ALA H H 1 8.461 . . . . . . . . 195 A H . 51363 1 204 . 1 . 1 188 188 ALA N N 15 125.398 . . . . . . . . 195 A N . 51363 1 205 . 1 . 1 189 189 ARG H H 1 7.954 . . . . . . . . 196 R H . 51363 1 206 . 1 . 1 189 189 ARG N N 15 120.876 . . . . . . . . 196 R N . 51363 1 207 . 1 . 1 190 190 ASP H H 1 7.987 . . . . . . . . 197 D H . 51363 1 208 . 1 . 1 190 190 ASP N N 15 119.920 . . . . . . . . 197 D N . 51363 1 209 . 1 . 1 193 193 GLY H H 1 8.292 . . . . . . . . 200 G H . 51363 1 210 . 1 . 1 193 193 GLY N N 15 112.194 . . . . . . . . 200 G N . 51363 1 211 . 1 . 1 194 194 SER H H 1 7.578 . . . . . . . . 201 S H . 51363 1 212 . 1 . 1 194 194 SER N N 15 113.484 . . . . . . . . 201 S N . 51363 1 213 . 1 . 1 195 195 TYR H H 1 8.970 . . . . . . . . 202 Y H . 51363 1 214 . 1 . 1 195 195 TYR N N 15 122.154 . . . . . . . . 202 Y N . 51363 1 215 . 1 . 1 196 196 ALA H H 1 9.301 . . . . . . . . 203 A H . 51363 1 216 . 1 . 1 196 196 ALA N N 15 122.504 . . . . . . . . 203 A N . 51363 1 217 . 1 . 1 197 197 LEU H H 1 9.321 . . . . . . . . 204 L H . 51363 1 218 . 1 . 1 197 197 LEU N N 15 125.273 . . . . . . . . 204 L N . 51363 1 219 . 1 . 1 198 198 CYS H H 1 9.002 . . . . . . . . 205 C H . 51363 1 220 . 1 . 1 198 198 CYS N N 15 127.675 . . . . . . . . 205 C N . 51363 1 221 . 1 . 1 199 199 LEU H H 1 8.772 . . . . . . . . 206 L H . 51363 1 222 . 1 . 1 199 199 LEU N N 15 123.994 . . . . . . . . 206 L N . 51363 1 223 . 1 . 1 200 200 LEU H H 1 8.520 . . . . . . . . 207 L H . 51363 1 224 . 1 . 1 200 200 LEU N N 15 125.208 . . . . . . . . 207 L N . 51363 1 225 . 1 . 1 201 201 HIS H H 1 9.276 . . . . . . . . 208 H H . 51363 1 226 . 1 . 1 201 201 HIS N N 15 127.619 . . . . . . . . 208 H N . 51363 1 227 . 1 . 1 202 202 GLU H H 1 8.733 . . . . . . . . 209 E H . 51363 1 228 . 1 . 1 202 202 GLU N N 15 126.155 . . . . . . . . 209 E N . 51363 1 229 . 1 . 1 203 203 GLY H H 1 8.090 . . . . . . . . 210 G H . 51363 1 230 . 1 . 1 203 203 GLY N N 15 103.271 . . . . . . . . 210 G N . 51363 1 231 . 1 . 1 204 204 LYS H H 1 7.714 . . . . . . . . 211 K H . 51363 1 232 . 1 . 1 204 204 LYS N N 15 121.236 . . . . . . . . 211 K N . 51363 1 233 . 1 . 1 205 205 VAL H H 1 8.410 . . . . . . . . 212 V H . 51363 1 234 . 1 . 1 205 205 VAL N N 15 121.746 . . . . . . . . 212 V N . 51363 1 235 . 1 . 1 206 206 LEU H H 1 9.190 . . . . . . . . 213 L H . 51363 1 236 . 1 . 1 206 206 LEU N N 15 130.012 . . . . . . . . 213 L N . 51363 1 237 . 1 . 1 207 207 HIS H H 1 7.996 . . . . . . . . 214 H H . 51363 1 238 . 1 . 1 207 207 HIS N N 15 119.313 . . . . . . . . 214 H N . 51363 1 239 . 1 . 1 208 208 TYR H H 1 9.333 . . . . . . . . 215 Y H . 51363 1 240 . 1 . 1 208 208 TYR N N 15 122.027 . . . . . . . . 215 Y N . 51363 1 241 . 1 . 1 209 209 ARG H H 1 8.903 . . . . . . . . 216 R H . 51363 1 242 . 1 . 1 209 209 ARG N N 15 125.998 . . . . . . . . 216 R N . 51363 1 243 . 1 . 1 210 210 ILE H H 1 8.051 . . . . . . . . 217 I H . 51363 1 244 . 1 . 1 210 210 ILE N N 15 121.620 . . . . . . . . 217 I N . 51363 1 245 . 1 . 1 211 211 ASP H H 1 8.322 . . . . . . . . 218 D H . 51363 1 246 . 1 . 1 211 211 ASP N N 15 126.155 . . . . . . . . 218 D N . 51363 1 247 . 1 . 1 212 212 ARG H H 1 8.425 . . . . . . . . 219 R H . 51363 1 248 . 1 . 1 212 212 ARG N N 15 122.119 . . . . . . . . 219 R N . 51363 1 249 . 1 . 1 213 213 ASP H H 1 8.757 . . . . . . . . 220 D H . 51363 1 250 . 1 . 1 213 213 ASP N N 15 127.520 . . . . . . . . 220 D N . 51363 1 251 . 1 . 1 215 215 THR H H 1 8.261 . . . . . . . . 222 T H . 51363 1 252 . 1 . 1 215 215 THR N N 15 111.066 . . . . . . . . 222 T N . 51363 1 253 . 1 . 1 216 216 GLY H H 1 8.018 . . . . . . . . 223 G H . 51363 1 254 . 1 . 1 216 216 GLY N N 15 110.439 . . . . . . . . 223 G N . 51363 1 255 . 1 . 1 217 217 LYS H H 1 7.824 . . . . . . . . 224 K H . 51363 1 256 . 1 . 1 217 217 LYS N N 15 121.691 . . . . . . . . 224 K N . 51363 1 257 . 1 . 1 218 218 LEU H H 1 9.217 . . . . . . . . 225 L H . 51363 1 258 . 1 . 1 218 218 LEU N N 15 122.510 . . . . . . . . 225 L N . 51363 1 259 . 1 . 1 219 219 SER H H 1 8.109 . . . . . . . . 226 S H . 51363 1 260 . 1 . 1 219 219 SER N N 15 110.740 . . . . . . . . 226 S N . 51363 1 261 . 1 . 1 220 220 ILE H H 1 9.228 . . . . . . . . 227 I H . 51363 1 262 . 1 . 1 220 220 ILE N N 15 120.959 . . . . . . . . 227 I N . 51363 1 263 . 1 . 1 222 222 GLU H H 1 8.790 . . . . . . . . 229 E H . 51363 1 264 . 1 . 1 222 222 GLU N N 15 118.454 . . . . . . . . 229 E N . 51363 1 265 . 1 . 1 223 223 GLY H H 1 8.631 . . . . . . . . 230 G H . 51363 1 266 . 1 . 1 223 223 GLY N N 15 109.040 . . . . . . . . 230 G N . 51363 1 267 . 1 . 1 224 224 LYS H H 1 7.600 . . . . . . . . 231 K H . 51363 1 268 . 1 . 1 224 224 LYS N N 15 120.404 . . . . . . . . 231 K N . 51363 1 269 . 1 . 1 225 225 LYS H H 1 7.530 . . . . . . . . 232 K H . 51363 1 270 . 1 . 1 225 225 LYS N N 15 120.331 . . . . . . . . 232 K N . 51363 1 271 . 1 . 1 229 229 LEU H H 1 8.977 . . . . . . . . 236 L H . 51363 1 272 . 1 . 1 229 229 LEU N N 15 120.858 . . . . . . . . 236 L N . 51363 1 273 . 1 . 1 233 233 VAL H H 1 7.601 . . . . . . . . 240 V H . 51363 1 274 . 1 . 1 233 233 VAL N N 15 119.594 . . . . . . . . 240 V N . 51363 1 275 . 1 . 1 235 235 HIS H H 1 7.433 . . . . . . . . 242 H H . 51363 1 276 . 1 . 1 235 235 HIS N N 15 119.416 . . . . . . . . 242 H N . 51363 1 277 . 1 . 1 236 236 TYR H H 1 7.441 . . . . . . . . 243 Y H . 51363 1 278 . 1 . 1 236 236 TYR N N 15 115.744 . . . . . . . . 243 Y N . 51363 1 279 . 1 . 1 237 237 SER H H 1 7.074 . . . . . . . . 244 S H . 51363 1 280 . 1 . 1 237 237 SER N N 15 113.034 . . . . . . . . 244 S N . 51363 1 281 . 1 . 1 241 241 ASP H H 1 7.667 . . . . . . . . 248 D H . 51363 1 282 . 1 . 1 241 241 ASP N N 15 114.593 . . . . . . . . 248 D N . 51363 1 283 . 1 . 1 242 242 GLY H H 1 8.170 . . . . . . . . 249 G H . 51363 1 284 . 1 . 1 242 242 GLY N N 15 107.880 . . . . . . . . 249 G N . 51363 1 285 . 1 . 1 243 243 LEU H H 1 7.929 . . . . . . . . 250 L H . 51363 1 286 . 1 . 1 243 243 LEU N N 15 122.289 . . . . . . . . 250 L N . 51363 1 287 . 1 . 1 248 248 THR H H 1 8.363 . . . . . . . . 255 T H . 51363 1 288 . 1 . 1 248 248 THR N N 15 112.389 . . . . . . . . 255 T N . 51363 1 289 . 1 . 1 249 249 VAL H H 1 8.108 . . . . . . . . 256 V H . 51363 1 290 . 1 . 1 249 249 VAL N N 15 121.406 . . . . . . . . 256 V N . 51363 1 291 . 1 . 1 251 251 CYS H H 1 8.678 . . . . . . . . 258 C H . 51363 1 292 . 1 . 1 251 251 CYS N N 15 124.267 . . . . . . . . 258 C N . 51363 1 293 . 1 . 1 252 252 GLN H H 1 8.404 . . . . . . . . 259 Q H . 51363 1 294 . 1 . 1 252 252 GLN N N 15 127.762 . . . . . . . . 259 Q N . 51363 1 295 . 1 . 1 253 253 LYS H H 1 8.354 . . . . . . . . 260 K H . 51363 1 296 . 1 . 1 253 253 LYS N N 15 124.996 . . . . . . . . 260 K N . 51363 1 297 . 1 . 1 254 254 ILE H H 1 8.206 . . . . . . . . 261 I H . 51363 1 298 . 1 . 1 254 254 ILE N N 15 124.140 . . . . . . . . 261 I N . 51363 1 299 . 1 . 1 255 255 GLY H H 1 8.332 . . . . . . . . 262 G H . 51363 1 300 . 1 . 1 255 255 GLY N N 15 113.885 . . . . . . . . 262 G N . 51363 1 301 . 1 . 1 256 256 THR H H 1 7.848 . . . . . . . . 263 T H . 51363 1 302 . 1 . 1 256 256 THR N N 15 114.096 . . . . . . . . 263 T N . 51363 1 stop_ save_