################################### # 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 50409 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name SoRNHI _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 '3D CBCA(CO)NH' . . . 50409 1 2 '3D HNCO' . . . 50409 1 3 '3D HNCACB' . . . 50409 1 4 '3D HNCA' . . . 50409 1 5 '3D HN(CA)CO' . . . 50409 1 6 '2D 1H-15N HSQC' . . . 50409 1 7 '3D 1H-15N NOESY' . . . 50409 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 . . 50409 1 2 $software_2 . . 50409 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 4 4 LEU H H 1 8.652 . . . . . . . . 4 L H . 50409 1 2 . 1 . 1 4 4 LEU N N 15 125.271 . . . . . . . . 4 L N . 50409 1 3 . 1 . 1 5 5 LYS H H 1 8.918 . . . . . . . . 5 K H . 50409 1 4 . 1 . 1 5 5 LYS N N 15 124.573 . . . . . . . . 5 K N . 50409 1 5 . 1 . 1 6 6 LEU H H 1 8.077 . . . . . . . . 6 L H . 50409 1 6 . 1 . 1 6 6 LEU N N 15 124.748 . . . . . . . . 6 L N . 50409 1 7 . 1 . 1 7 7 ILE H H 1 8.998 . . . . . . . . 7 I H . 50409 1 8 . 1 . 1 7 7 ILE N N 15 126.589 . . . . . . . . 7 I N . 50409 1 9 . 1 . 1 8 8 HIS H H 1 8.613 . . . . . . . . 8 H H . 50409 1 10 . 1 . 1 8 8 HIS N N 15 124.362 . . . . . . . . 8 H N . 50409 1 11 . 1 . 1 9 9 ILE H H 1 8.707 . . . . . . . . 9 I H . 50409 1 12 . 1 . 1 9 9 ILE N N 15 122.677 . . . . . . . . 9 I N . 50409 1 13 . 1 . 1 10 10 PHE H H 1 9.46 . . . . . . . . 10 F H . 50409 1 14 . 1 . 1 10 10 PHE N N 15 129.724 . . . . . . . . 10 F N . 50409 1 15 . 1 . 1 11 11 THR H H 1 7.837 . . . . . . . . 11 T H . 50409 1 16 . 1 . 1 11 11 THR N N 15 109.477 . . . . . . . . 11 T N . 50409 1 17 . 1 . 1 12 12 ASP H H 1 8.77 . . . . . . . . 12 D H . 50409 1 18 . 1 . 1 12 12 ASP N N 15 117.184 . . . . . . . . 12 D N . 50409 1 19 . 1 . 1 13 13 GLY H H 1 8.724 . . . . . . . . 13 G H . 50409 1 20 . 1 . 1 13 13 GLY N N 15 107.083 . . . . . . . . 13 G N . 50409 1 21 . 1 . 1 14 14 SER H H 1 8.79 . . . . . . . . 14 S H . 50409 1 22 . 1 . 1 14 14 SER N N 15 113.966 . . . . . . . . 14 S N . 50409 1 23 . 1 . 1 15 15 CYS H H 1 8.356 . . . . . . . . 15 C H . 50409 1 24 . 1 . 1 15 15 CYS N N 15 121.926 . . . . . . . . 15 C N . 50409 1 25 . 1 . 1 16 16 LEU H H 1 9.011 . . . . . . . . 16 L H . 50409 1 26 . 1 . 1 16 16 LEU N N 15 127.128 . . . . . . . . 16 L N . 50409 1 27 . 1 . 1 17 17 GLY H H 1 7.739 . . . . . . . . 17 G H . 50409 1 28 . 1 . 1 17 17 GLY N N 15 108.233 . . . . . . . . 17 G N . 50409 1 29 . 1 . 1 18 18 ASN H H 1 8.152 . . . . . . . . 18 N H . 50409 1 30 . 1 . 1 18 18 ASN N N 15 116.085 . . . . . . . . 18 N N . 50409 1 31 . 1 . 1 20 20 GLY H H 1 8.3 . . . . . . . . 20 G H . 50409 1 32 . 1 . 1 20 20 GLY N N 15 106.445 . . . . . . . . 20 G N . 50409 1 33 . 1 . 1 22 22 GLY H H 1 8.887 . . . . . . . . 22 G H . 50409 1 34 . 1 . 1 22 22 GLY N N 15 107.853 . . . . . . . . 22 G N . 50409 1 35 . 1 . 1 23 23 GLY H H 1 8.91 . . . . . . . . 23 G H . 50409 1 36 . 1 . 1 23 23 GLY N N 15 105.654 . . . . . . . . 23 G N . 50409 1 37 . 1 . 1 24 24 TYR H H 1 8.131 . . . . . . . . 24 Y H . 50409 1 38 . 1 . 1 24 24 TYR N N 15 113.367 . . . . . . . . 24 Y N . 50409 1 39 . 1 . 1 25 25 GLY H H 1 9.028 . . . . . . . . 25 G H . 50409 1 40 . 1 . 1 25 25 GLY N N 15 105.664 . . . . . . . . 25 G N . 50409 1 41 . 1 . 1 26 26 ILE H H 1 9.079 . . . . . . . . 26 I H . 50409 1 42 . 1 . 1 26 26 ILE N N 15 123.968 . . . . . . . . 26 I N . 50409 1 43 . 1 . 1 27 27 VAL H H 1 8.597 . . . . . . . . 27 V H . 50409 1 44 . 1 . 1 27 27 VAL N N 15 125.452 . . . . . . . . 27 V N . 50409 1 45 . 1 . 1 28 28 MET H H 1 9.318 . . . . . . . . 28 M H . 50409 1 46 . 1 . 1 28 28 MET N N 15 125.088 . . . . . . . . 28 M N . 50409 1 47 . 1 . 1 29 29 ASN H H 1 9.573 . . . . . . . . 29 N H . 50409 1 48 . 1 . 1 29 29 ASN N N 15 122.765 . . . . . . . . 29 N N . 50409 1 49 . 1 . 1 30 30 TYR H H 1 8.588 . . . . . . . . 30 Y H . 50409 1 50 . 1 . 1 30 30 TYR N N 15 124.717 . . . . . . . . 30 Y N . 50409 1 51 . 1 . 1 31 31 LYS H H 1 9.294 . . . . . . . . 31 K H . 50409 1 52 . 1 . 1 31 31 LYS N N 15 126.382 . . . . . . . . 31 K N . 50409 1 53 . 1 . 1 32 32 GLY H H 1 8.455 . . . . . . . . 32 G H . 50409 1 54 . 1 . 1 32 32 GLY N N 15 106.652 . . . . . . . . 32 G N . 50409 1 55 . 1 . 1 33 33 HIS H H 1 8.196 . . . . . . . . 33 H H . 50409 1 56 . 1 . 1 33 33 HIS N N 15 119.346 . . . . . . . . 33 H N . 50409 1 57 . 1 . 1 34 34 THR H H 1 8.725 . . . . . . . . 34 T H . 50409 1 58 . 1 . 1 34 34 THR N N 15 120.267 . . . . . . . . 34 T N . 50409 1 59 . 1 . 1 35 35 LYS H H 1 9.126 . . . . . . . . 35 K H . 50409 1 60 . 1 . 1 35 35 LYS N N 15 126.978 . . . . . . . . 35 K N . 50409 1 61 . 1 . 1 36 36 GLU H H 1 8.639 . . . . . . . . 36 E H . 50409 1 62 . 1 . 1 36 36 GLU N N 15 123.194 . . . . . . . . 36 E N . 50409 1 63 . 1 . 1 37 37 MET H H 1 9.044 . . . . . . . . 37 M H . 50409 1 64 . 1 . 1 37 37 MET N N 15 119.565 . . . . . . . . 37 M N . 50409 1 65 . 1 . 1 38 38 SER H H 1 8.211 . . . . . . . . 38 S H . 50409 1 66 . 1 . 1 38 38 SER N N 15 111.764 . . . . . . . . 38 S N . 50409 1 67 . 1 . 1 39 39 ASP H H 1 6.685 . . . . . . . . 39 D H . 50409 1 68 . 1 . 1 39 39 ASP N N 15 115.234 . . . . . . . . 39 D N . 50409 1 69 . 1 . 1 40 40 GLY H H 1 7.938 . . . . . . . . 40 G H . 50409 1 70 . 1 . 1 40 40 GLY N N 15 104.255 . . . . . . . . 40 G N . 50409 1 71 . 1 . 1 41 41 PHE H H 1 9.146 . . . . . . . . 41 F H . 50409 1 72 . 1 . 1 41 41 PHE N N 15 116.669 . . . . . . . . 41 F N . 50409 1 73 . 1 . 1 42 42 SER H H 1 9.218 . . . . . . . . 42 S H . 50409 1 74 . 1 . 1 42 42 SER N N 15 116.12 . . . . . . . . 42 S N . 50409 1 75 . 1 . 1 43 43 LEU H H 1 6.916 . . . . . . . . 43 L H . 50409 1 76 . 1 . 1 43 43 LEU N N 15 118.497 . . . . . . . . 43 L N . 50409 1 77 . 1 . 1 44 44 THR H H 1 8.589 . . . . . . . . 44 T H . 50409 1 78 . 1 . 1 44 44 THR N N 15 123.803 . . . . . . . . 44 T N . 50409 1 79 . 1 . 1 45 45 THR H H 1 8.438 . . . . . . . . 45 T H . 50409 1 80 . 1 . 1 45 45 THR N N 15 106.511 . . . . . . . . 45 T N . 50409 1 81 . 1 . 1 46 46 ASN H H 1 8.969 . . . . . . . . 46 N H . 50409 1 82 . 1 . 1 46 46 ASN N N 15 120.483 . . . . . . . . 46 N N . 50409 1 83 . 1 . 1 47 47 ASN H H 1 8.639 . . . . . . . . 47 N H . 50409 1 84 . 1 . 1 47 47 ASN N N 15 115.615 . . . . . . . . 47 N N . 50409 1 85 . 1 . 1 48 48 ARG H H 1 7.422 . . . . . . . . 48 R H . 50409 1 86 . 1 . 1 48 48 ARG N N 15 115.593 . . . . . . . . 48 R N . 50409 1 87 . 1 . 1 49 49 MET H H 1 7.669 . . . . . . . . 49 M H . 50409 1 88 . 1 . 1 49 49 MET N N 15 117.629 . . . . . . . . 49 M N . 50409 1 89 . 1 . 1 50 50 GLU H H 1 8.353 . . . . . . . . 50 E H . 50409 1 90 . 1 . 1 50 50 GLU N N 15 116.873 . . . . . . . . 50 E N . 50409 1 91 . 1 . 1 51 51 LEU H H 1 7.016 . . . . . . . . 51 L H . 50409 1 92 . 1 . 1 51 51 LEU N N 15 113.598 . . . . . . . . 51 L N . 50409 1 93 . 1 . 1 52 52 LEU H H 1 8.637 . . . . . . . . 52 L H . 50409 1 94 . 1 . 1 52 52 LEU N N 15 118.896 . . . . . . . . 52 L N . 50409 1 95 . 1 . 1 53 53 ALA H H 1 7.158 . . . . . . . . 53 A H . 50409 1 96 . 1 . 1 53 53 ALA N N 15 116.149 . . . . . . . . 53 A N . 50409 1 97 . 1 . 1 55 55 ILE H H 1 7.045 . . . . . . . . 55 I H . 50409 1 98 . 1 . 1 55 55 ILE N N 15 117.63 . . . . . . . . 55 I N . 50409 1 99 . 1 . 1 56 56 VAL H H 1 8.459 . . . . . . . . 56 V H . 50409 1 100 . 1 . 1 56 56 VAL N N 15 119.5 . . . . . . . . 56 V N . 50409 1 101 . 1 . 1 57 57 ALA H H 1 7.71 . . . . . . . . 57 A H . 50409 1 102 . 1 . 1 57 57 ALA N N 15 120.546 . . . . . . . . 57 A N . 50409 1 103 . 1 . 1 58 58 LEU H H 1 8.176 . . . . . . . . 58 L H . 50409 1 104 . 1 . 1 58 58 LEU N N 15 113.526 . . . . . . . . 58 L N . 50409 1 105 . 1 . 1 59 59 GLU H H 1 9.031 . . . . . . . . 59 E H . 50409 1 106 . 1 . 1 59 59 GLU N N 15 118.916 . . . . . . . . 59 E N . 50409 1 107 . 1 . 1 60 60 ALA H H 1 7.335 . . . . . . . . 60 A H . 50409 1 108 . 1 . 1 60 60 ALA N N 15 119.462 . . . . . . . . 60 A N . 50409 1 109 . 1 . 1 61 61 LEU H H 1 7.151 . . . . . . . . 61 L H . 50409 1 110 . 1 . 1 61 61 LEU N N 15 119.738 . . . . . . . . 61 L N . 50409 1 111 . 1 . 1 62 62 LYS H H 1 8.489 . . . . . . . . 62 K H . 50409 1 112 . 1 . 1 62 62 LYS N N 15 120.952 . . . . . . . . 62 K N . 50409 1 113 . 1 . 1 63 63 GLU H H 1 7.669 . . . . . . . . 63 E H . 50409 1 114 . 1 . 1 63 63 GLU N N 15 117.629 . . . . . . . . 63 E N . 50409 1 115 . 1 . 1 65 65 CYS H H 1 10.958 . . . . . . . . 65 C H . 50409 1 116 . 1 . 1 65 65 CYS N N 15 125.117 . . . . . . . . 65 C N . 50409 1 117 . 1 . 1 66 66 LYS H H 1 8.828 . . . . . . . . 66 K H . 50409 1 118 . 1 . 1 66 66 LYS N N 15 123.347 . . . . . . . . 66 K N . 50409 1 119 . 1 . 1 67 67 ILE H H 1 8.742 . . . . . . . . 67 I H . 50409 1 120 . 1 . 1 67 67 ILE N N 15 124.587 . . . . . . . . 67 I N . 50409 1 121 . 1 . 1 68 68 ILE H H 1 7.99 . . . . . . . . 68 I H . 50409 1 122 . 1 . 1 68 68 ILE N N 15 127.377 . . . . . . . . 68 I N . 50409 1 123 . 1 . 1 69 69 LEU H H 1 8.473 . . . . . . . . 69 L H . 50409 1 124 . 1 . 1 69 69 LEU N N 15 136.357 . . . . . . . . 69 L N . 50409 1 125 . 1 . 1 70 70 THR H H 1 8.639 . . . . . . . . 70 T H . 50409 1 126 . 1 . 1 70 70 THR N N 15 123.194 . . . . . . . . 70 T N . 50409 1 127 . 1 . 1 71 71 SER H H 1 8.3 . . . . . . . . 71 S H . 50409 1 128 . 1 . 1 71 71 SER N N 15 120.565 . . . . . . . . 71 S N . 50409 1 129 . 1 . 1 72 72 ASP H H 1 8.752 . . . . . . . . 72 D H . 50409 1 130 . 1 . 1 72 72 ASP N N 15 124.046 . . . . . . . . 72 D N . 50409 1 131 . 1 . 1 73 73 SER H H 1 8.337 . . . . . . . . 73 S H . 50409 1 132 . 1 . 1 73 73 SER N N 15 114.438 . . . . . . . . 73 S N . 50409 1 133 . 1 . 1 74 74 GLN H H 1 9.005 . . . . . . . . 74 Q H . 50409 1 134 . 1 . 1 74 74 GLN N N 15 132.122 . . . . . . . . 74 Q N . 50409 1 135 . 1 . 1 75 75 TYR H H 1 8.678 . . . . . . . . 75 Y H . 50409 1 136 . 1 . 1 75 75 TYR N N 15 123.096 . . . . . . . . 75 Y N . 50409 1 137 . 1 . 1 76 76 MET H H 1 8.448 . . . . . . . . 76 M H . 50409 1 138 . 1 . 1 76 76 MET N N 15 117.865 . . . . . . . . 76 M N . 50409 1 139 . 1 . 1 77 77 ARG H H 1 7.513 . . . . . . . . 77 R H . 50409 1 140 . 1 . 1 77 77 ARG N N 15 118.518 . . . . . . . . 77 R N . 50409 1 141 . 1 . 1 78 78 GLN H H 1 7.559 . . . . . . . . 78 Q H . 50409 1 142 . 1 . 1 78 78 GLN N N 15 115.784 . . . . . . . . 78 Q N . 50409 1 143 . 1 . 1 79 79 GLY H H 1 7.556 . . . . . . . . 79 G H . 50409 1 144 . 1 . 1 79 79 GLY N N 15 107.702 . . . . . . . . 79 G N . 50409 1 145 . 1 . 1 80 80 ILE H H 1 8.305 . . . . . . . . 80 I H . 50409 1 146 . 1 . 1 80 80 ILE N N 15 120.592 . . . . . . . . 80 I N . 50409 1 147 . 1 . 1 81 81 MET H H 1 8.22 . . . . . . . . 81 M H . 50409 1 148 . 1 . 1 81 81 MET N N 15 114.469 . . . . . . . . 81 M N . 50409 1 149 . 1 . 1 82 82 THR H H 1 7.39 . . . . . . . . 82 T H . 50409 1 150 . 1 . 1 82 82 THR N N 15 111.829 . . . . . . . . 82 T N . 50409 1 151 . 1 . 1 83 83 TRP H H 1 7.723 . . . . . . . . 83 W H . 50409 1 152 . 1 . 1 83 83 TRP HE1 H 1 10.071 . . . . . . . . 83 W He1 . 50409 1 153 . 1 . 1 83 83 TRP N N 15 121.7 . . . . . . . . 83 W N . 50409 1 154 . 1 . 1 83 83 TRP NE1 N 15 128.585 . . . . . . . . 83 W Ne1 . 50409 1 155 . 1 . 1 84 84 ILE H H 1 8.521 . . . . . . . . 84 I H . 50409 1 156 . 1 . 1 84 84 ILE N N 15 117.619 . . . . . . . . 84 I N . 50409 1 157 . 1 . 1 85 85 HIS H H 1 7.856 . . . . . . . . 85 H H . 50409 1 158 . 1 . 1 85 85 HIS N N 15 117.513 . . . . . . . . 85 H N . 50409 1 159 . 1 . 1 86 86 GLY H H 1 7.33 . . . . . . . . 86 G H . 50409 1 160 . 1 . 1 86 86 GLY N N 15 105.74 . . . . . . . . 86 G N . 50409 1 161 . 1 . 1 87 87 TRP H H 1 8.042 . . . . . . . . 87 W H . 50409 1 162 . 1 . 1 87 87 TRP HE1 H 1 9.69 . . . . . . . . 87 W He1 . 50409 1 163 . 1 . 1 87 87 TRP N N 15 122.616 . . . . . . . . 87 W N . 50409 1 164 . 1 . 1 87 87 TRP NE1 N 15 127.705 . . . . . . . . 87 W Ne1 . 50409 1 165 . 1 . 1 88 88 LYS H H 1 8.196 . . . . . . . . 88 K H . 50409 1 166 . 1 . 1 88 88 LYS N N 15 119.346 . . . . . . . . 88 K N . 50409 1 167 . 1 . 1 89 89 LYS H H 1 7.188 . . . . . . . . 89 K H . 50409 1 168 . 1 . 1 89 89 LYS N N 15 118.499 . . . . . . . . 89 K N . 50409 1 169 . 1 . 1 90 90 LYS H H 1 7.376 . . . . . . . . 90 K H . 50409 1 170 . 1 . 1 90 90 LYS N N 15 117.585 . . . . . . . . 90 K N . 50409 1 171 . 1 . 1 91 91 GLY H H 1 7.804 . . . . . . . . 91 G H . 50409 1 172 . 1 . 1 91 91 GLY N N 15 108.981 . . . . . . . . 91 G N . 50409 1 173 . 1 . 1 92 92 TRP HE1 H 1 10.402 . . . . . . . . 92 W He1 . 50409 1 174 . 1 . 1 92 92 TRP NE1 N 15 129.522 . . . . . . . . 92 W Ne1 . 50409 1 175 . 1 . 1 96 96 ASN H H 1 7.984 . . . . . . . . 96 N H . 50409 1 176 . 1 . 1 96 96 ASN N N 15 118.266 . . . . . . . . 96 N N . 50409 1 177 . 1 . 1 97 97 ARG H H 1 8.22 . . . . . . . . 97 R H . 50409 1 178 . 1 . 1 97 97 ARG N N 15 114.469 . . . . . . . . 97 R N . 50409 1 179 . 1 . 1 98 98 THR H H 1 8.176 . . . . . . . . 98 T H . 50409 1 180 . 1 . 1 98 98 THR N N 15 113.526 . . . . . . . . 98 T N . 50409 1 181 . 1 . 1 100 100 VAL H H 1 7.763 . . . . . . . . 100 V H . 50409 1 182 . 1 . 1 100 100 VAL N N 15 120.969 . . . . . . . . 100 V N . 50409 1 183 . 1 . 1 101 101 LYS H H 1 8.365 . . . . . . . . 101 K H . 50409 1 184 . 1 . 1 101 101 LYS N N 15 127.745 . . . . . . . . 101 K N . 50409 1 185 . 1 . 1 102 102 ASN H H 1 9.55 . . . . . . . . 102 N H . 50409 1 186 . 1 . 1 102 102 ASN N N 15 116.647 . . . . . . . . 102 N N . 50409 1 187 . 1 . 1 103 103 VAL H H 1 7.749 . . . . . . . . 103 V H . 50409 1 188 . 1 . 1 103 103 VAL N N 15 118.824 . . . . . . . . 103 V N . 50409 1 189 . 1 . 1 104 104 ASP H H 1 8.516 . . . . . . . . 104 D H . 50409 1 190 . 1 . 1 104 104 ASP N N 15 118.658 . . . . . . . . 104 D N . 50409 1 191 . 1 . 1 105 105 LEU H H 1 7.188 . . . . . . . . 105 L H . 50409 1 192 . 1 . 1 105 105 LEU N N 15 118.499 . . . . . . . . 105 L N . 50409 1 193 . 1 . 1 106 106 TRP H H 1 8.21 . . . . . . . . 106 W H . 50409 1 194 . 1 . 1 106 106 TRP HE1 H 1 9.538 . . . . . . . . 106 W He1 . 50409 1 195 . 1 . 1 106 106 TRP N N 15 120.686 . . . . . . . . 106 W N . 50409 1 196 . 1 . 1 106 106 TRP NE1 N 15 127.973 . . . . . . . . 106 W Ne1 . 50409 1 197 . 1 . 1 107 107 LYS H H 1 8.342 . . . . . . . . 107 K H . 50409 1 198 . 1 . 1 107 107 LYS N N 15 115.447 . . . . . . . . 107 K N . 50409 1 199 . 1 . 1 108 108 ARG H H 1 6.989 . . . . . . . . 108 R H . 50409 1 200 . 1 . 1 108 108 ARG N N 15 119.121 . . . . . . . . 108 R N . 50409 1 201 . 1 . 1 109 109 LEU H H 1 8.788 . . . . . . . . 109 L H . 50409 1 202 . 1 . 1 109 109 LEU N N 15 122.669 . . . . . . . . 109 L N . 50409 1 203 . 1 . 1 110 110 ASP H H 1 8.446 . . . . . . . . 110 D H . 50409 1 204 . 1 . 1 110 110 ASP N N 15 117.404 . . . . . . . . 110 D N . 50409 1 205 . 1 . 1 111 111 LYS H H 1 7.853 . . . . . . . . 111 K H . 50409 1 206 . 1 . 1 111 111 LYS N N 15 116.378 . . . . . . . . 111 K N . 50409 1 207 . 1 . 1 112 112 ALA H H 1 8.18 . . . . . . . . 112 A H . 50409 1 208 . 1 . 1 112 112 ALA N N 15 120.909 . . . . . . . . 112 A N . 50409 1 209 . 1 . 1 113 113 ALA H H 1 8.623 . . . . . . . . 113 A H . 50409 1 210 . 1 . 1 113 113 ALA N N 15 117.322 . . . . . . . . 113 A N . 50409 1 211 . 1 . 1 114 114 GLN H H 1 7.413 . . . . . . . . 114 Q H . 50409 1 212 . 1 . 1 114 114 GLN N N 15 113.783 . . . . . . . . 114 Q N . 50409 1 213 . 1 . 1 115 115 LEU H H 1 7.194 . . . . . . . . 115 L H . 50409 1 214 . 1 . 1 115 115 LEU N N 15 117.731 . . . . . . . . 115 L N . 50409 1 215 . 1 . 1 116 116 HIS H H 1 7.172 . . . . . . . . 116 H H . 50409 1 216 . 1 . 1 116 116 HIS N N 15 115.374 . . . . . . . . 116 H N . 50409 1 217 . 1 . 1 117 117 GLN H H 1 8.3 . . . . . . . . 117 Q H . 50409 1 218 . 1 . 1 117 117 GLN N N 15 120.565 . . . . . . . . 117 Q N . 50409 1 219 . 1 . 1 118 118 ILE H H 1 8.58 . . . . . . . . 118 I H . 50409 1 220 . 1 . 1 118 118 ILE N N 15 125.129 . . . . . . . . 118 I N . 50409 1 221 . 1 . 1 119 119 ASP H H 1 8.747 . . . . . . . . 119 D H . 50409 1 222 . 1 . 1 119 119 ASP N N 15 129.295 . . . . . . . . 119 D N . 50409 1 223 . 1 . 1 120 120 TRP H H 1 7.998 . . . . . . . . 120 W H . 50409 1 224 . 1 . 1 120 120 TRP HE1 H 1 10.283 . . . . . . . . 120 W He1 . 50409 1 225 . 1 . 1 120 120 TRP N N 15 126.244 . . . . . . . . 120 W N . 50409 1 226 . 1 . 1 120 120 TRP NE1 N 15 129.553 . . . . . . . . 120 W Ne1 . 50409 1 227 . 1 . 1 121 121 ARG H H 1 8.868 . . . . . . . . 121 R H . 50409 1 228 . 1 . 1 121 121 ARG N N 15 125.129 . . . . . . . . 121 R N . 50409 1 229 . 1 . 1 122 122 TRP H H 1 8.041 . . . . . . . . 122 W H . 50409 1 230 . 1 . 1 122 122 TRP HE1 H 1 9.848 . . . . . . . . 122 W He1 . 50409 1 231 . 1 . 1 122 122 TRP N N 15 123.051 . . . . . . . . 122 W N . 50409 1 232 . 1 . 1 122 122 TRP NE1 N 15 128.122 . . . . . . . . 122 W Ne1 . 50409 1 233 . 1 . 1 123 123 VAL H H 1 8.157 . . . . . . . . 123 V H . 50409 1 234 . 1 . 1 123 123 VAL N N 15 117.843 . . . . . . . . 123 V N . 50409 1 235 . 1 . 1 124 124 LYS H H 1 8.455 . . . . . . . . 124 K H . 50409 1 236 . 1 . 1 124 124 LYS N N 15 121.819 . . . . . . . . 124 K N . 50409 1 237 . 1 . 1 125 125 GLY H H 1 8.383 . . . . . . . . 125 G H . 50409 1 238 . 1 . 1 125 125 GLY N N 15 110.549 . . . . . . . . 125 G N . 50409 1 239 . 1 . 1 126 126 HIS H H 1 8.363 . . . . . . . . 126 H H . 50409 1 240 . 1 . 1 126 126 HIS N N 15 115.269 . . . . . . . . 126 H N . 50409 1 241 . 1 . 1 127 127 ALA H H 1 8.127 . . . . . . . . 127 A H . 50409 1 242 . 1 . 1 127 127 ALA N N 15 123.329 . . . . . . . . 127 A N . 50409 1 243 . 1 . 1 128 128 GLY H H 1 8.829 . . . . . . . . 128 G H . 50409 1 244 . 1 . 1 128 128 GLY N N 15 109.878 . . . . . . . . 128 G N . 50409 1 245 . 1 . 1 129 129 HIS H H 1 8.041 . . . . . . . . 129 H H . 50409 1 246 . 1 . 1 129 129 HIS N N 15 119.296 . . . . . . . . 129 H N . 50409 1 247 . 1 . 1 130 130 ALA H H 1 8.822 . . . . . . . . 130 A H . 50409 1 248 . 1 . 1 130 130 ALA N N 15 126.875 . . . . . . . . 130 A N . 50409 1 249 . 1 . 1 131 131 GLU H H 1 9.626 . . . . . . . . 131 E H . 50409 1 250 . 1 . 1 131 131 GLU N N 15 118.169 . . . . . . . . 131 E N . 50409 1 251 . 1 . 1 132 132 ASN H H 1 7.621 . . . . . . . . 132 N H . 50409 1 252 . 1 . 1 132 132 ASN N N 15 117.106 . . . . . . . . 132 N N . 50409 1 253 . 1 . 1 133 133 GLU H H 1 8.345 . . . . . . . . 133 E H . 50409 1 254 . 1 . 1 133 133 GLU N N 15 121.382 . . . . . . . . 133 E N . 50409 1 255 . 1 . 1 134 134 ARG H H 1 7.954 . . . . . . . . 134 R H . 50409 1 256 . 1 . 1 134 134 ARG N N 15 120.866 . . . . . . . . 134 R N . 50409 1 257 . 1 . 1 135 135 CYS H H 1 8.187 . . . . . . . . 135 C H . 50409 1 258 . 1 . 1 135 135 CYS N N 15 117.573 . . . . . . . . 135 C N . 50409 1 259 . 1 . 1 136 136 ASP H H 1 7.824 . . . . . . . . 136 D H . 50409 1 260 . 1 . 1 136 136 ASP N N 15 120.415 . . . . . . . . 136 D N . 50409 1 261 . 1 . 1 137 137 GLN H H 1 7.888 . . . . . . . . 137 Q H . 50409 1 262 . 1 . 1 137 137 GLN N N 15 118.879 . . . . . . . . 137 Q N . 50409 1 263 . 1 . 1 138 138 LEU H H 1 8.504 . . . . . . . . 138 L H . 50409 1 264 . 1 . 1 138 138 LEU N N 15 119.848 . . . . . . . . 138 L N . 50409 1 265 . 1 . 1 139 139 ALA H H 1 8.404 . . . . . . . . 139 A H . 50409 1 266 . 1 . 1 139 139 ALA N N 15 123.238 . . . . . . . . 139 A N . 50409 1 267 . 1 . 1 140 140 ARG H H 1 8.267 . . . . . . . . 140 R H . 50409 1 268 . 1 . 1 140 140 ARG N N 15 116.629 . . . . . . . . 140 R N . 50409 1 269 . 1 . 1 141 141 ALA H H 1 7.951 . . . . . . . . 141 A H . 50409 1 270 . 1 . 1 141 141 ALA N N 15 119.388 . . . . . . . . 141 A N . 50409 1 271 . 1 . 1 142 142 ALA H H 1 7.588 . . . . . . . . 142 A H . 50409 1 272 . 1 . 1 142 142 ALA N N 15 119.222 . . . . . . . . 142 A N . 50409 1 273 . 1 . 1 143 143 ALA H H 1 7.82 . . . . . . . . 143 A H . 50409 1 274 . 1 . 1 143 143 ALA N N 15 120.074 . . . . . . . . 143 A N . 50409 1 275 . 1 . 1 144 144 GLU H H 1 7.812 . . . . . . . . 144 E H . 50409 1 276 . 1 . 1 144 144 GLU N N 15 112.077 . . . . . . . . 144 E N . 50409 1 277 . 1 . 1 145 145 ALA H H 1 7.045 . . . . . . . . 145 A H . 50409 1 278 . 1 . 1 145 145 ALA N N 15 123.434 . . . . . . . . 145 A N . 50409 1 279 . 1 . 1 146 146 ASN H H 1 8.021 . . . . . . . . 146 N H . 50409 1 280 . 1 . 1 146 146 ASN N N 15 115.482 . . . . . . . . 146 N N . 50409 1 281 . 1 . 1 148 148 THR H H 1 8.219 . . . . . . . . 148 T H . 50409 1 282 . 1 . 1 148 148 THR N N 15 109.294 . . . . . . . . 148 T N . 50409 1 283 . 1 . 1 149 149 GLN H H 1 7.806 . . . . . . . . 149 Q H . 50409 1 284 . 1 . 1 149 149 GLN N N 15 124.462 . . . . . . . . 149 Q N . 50409 1 285 . 1 . 1 150 150 ILE H H 1 8.684 . . . . . . . . 150 I H . 50409 1 286 . 1 . 1 150 150 ILE N N 15 126.452 . . . . . . . . 150 I N . 50409 1 287 . 1 . 1 151 151 ASP H H 1 9.598 . . . . . . . . 151 D H . 50409 1 288 . 1 . 1 151 151 ASP N N 15 126.585 . . . . . . . . 151 D N . 50409 1 289 . 1 . 1 152 152 THR H H 1 8.323 . . . . . . . . 152 T H . 50409 1 290 . 1 . 1 152 152 THR N N 15 118.177 . . . . . . . . 152 T N . 50409 1 291 . 1 . 1 153 153 GLY H H 1 7.871 . . . . . . . . 153 G H . 50409 1 292 . 1 . 1 153 153 GLY N N 15 107.023 . . . . . . . . 153 G N . 50409 1 293 . 1 . 1 154 154 TYR H H 1 7.38 . . . . . . . . 154 Y H . 50409 1 294 . 1 . 1 154 154 TYR N N 15 121.743 . . . . . . . . 154 Y N . 50409 1 295 . 1 . 1 155 155 GLN H H 1 7.62 . . . . . . . . 155 Q H . 50409 1 296 . 1 . 1 155 155 GLN N N 15 126.448 . . . . . . . . 155 Q N . 50409 1 297 . 1 . 1 156 156 ALA H H 1 8.066 . . . . . . . . 156 A H . 50409 1 298 . 1 . 1 156 156 ALA N N 15 125.268 . . . . . . . . 156 A N . 50409 1 299 . 1 . 1 157 157 GLU H H 1 8.281 . . . . . . . . 157 E H . 50409 1 300 . 1 . 1 157 157 GLU N N 15 120.031 . . . . . . . . 157 E N . 50409 1 301 . 1 . 1 158 158 SER H H 1 7.888 . . . . . . . . 158 S H . 50409 1 302 . 1 . 1 158 158 SER N N 15 122.021 . . . . . . . . 158 S N . 50409 1 stop_ save_