################################### # 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 53878 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Assigned_chemical_shifts_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 HSQC' . . . 53878 1 2 '3D 1H-15N NOESY' . . . 53878 1 3 '3D 1H-15N TOCSY' . . . 53878 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 . . 53878 1 2 $software_2 . . 53878 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 13 13 GLY H H 1 8.411 0.003 . . . . . . . 13 G HN . 53878 1 2 . 1 . 1 13 13 GLY N N 15 110.578 0.07 . . . . . . . 13 G N . 53878 1 3 . 1 . 1 14 14 LEU H H 1 8.066 0.003 . . . . . . . 14 L HN . 53878 1 4 . 1 . 1 14 14 LEU N N 15 121.402 0.07 . . . . . . . 14 L N . 53878 1 5 . 1 . 1 15 15 VAL H H 1 8.059 0.003 . . . . . . . 15 V HN . 53878 1 6 . 1 . 1 15 15 VAL N N 15 121.708 0.07 . . . . . . . 15 V N . 53878 1 7 . 1 . 1 17 17 ARG H H 1 8.504 0.003 . . . . . . . 17 R HN . 53878 1 8 . 1 . 1 17 17 ARG N N 15 121.949 0.07 . . . . . . . 17 R N . 53878 1 9 . 1 . 1 18 18 GLY H H 1 8.531 0.003 . . . . . . . 18 G HN . 53878 1 10 . 1 . 1 18 18 GLY N N 15 110.247 0.07 . . . . . . . 18 G N . 53878 1 11 . 1 . 1 22 22 ALA H H 1 8.411 0.003 . . . . . . . 22 A HN . 53878 1 12 . 1 . 1 22 22 ALA N N 15 123.292 0.07 . . . . . . . 22 A N . 53878 1 13 . 1 . 1 23 23 ASP H H 1 8.077 0.003 . . . . . . . 23 D HN . 53878 1 14 . 1 . 1 23 23 ASP N N 15 117.576 0.07 . . . . . . . 23 D N . 53878 1 15 . 1 . 1 24 24 GLN H H 1 7.959 0.003 . . . . . . . 24 Q HN . 53878 1 16 . 1 . 1 24 24 GLN N N 15 117.677 0.07 . . . . . . . 24 Q N . 53878 1 17 . 1 . 1 25 25 LEU H H 1 7.844 0.003 . . . . . . . 25 L HN . 53878 1 18 . 1 . 1 25 25 LEU N N 15 121.004 0.07 . . . . . . . 25 L N . 53878 1 19 . 1 . 1 26 26 THR H H 1 8.784 0.003 . . . . . . . 26 T HN . 53878 1 20 . 1 . 1 26 26 THR N N 15 112.886 0.07 . . . . . . . 26 T N . 53878 1 21 . 1 . 1 27 27 GLU H H 1 9.031 0.003 . . . . . . . 27 E HN . 53878 1 22 . 1 . 1 27 27 GLU N N 15 120.507 0.07 . . . . . . . 27 E N . 53878 1 23 . 1 . 1 28 28 GLU H H 1 8.749 0.003 . . . . . . . 28 E HN . 53878 1 24 . 1 . 1 28 28 GLU N N 15 119.423 0.07 . . . . . . . 28 E N . 53878 1 25 . 1 . 1 29 29 GLN H H 1 7.743 0.003 . . . . . . . 29 Q HN . 53878 1 26 . 1 . 1 29 29 GLN N N 15 120.747 0.07 . . . . . . . 29 Q N . 53878 1 27 . 1 . 1 30 30 ILE H H 1 8.252 0.003 . . . . . . . 30 I HN . 53878 1 28 . 1 . 1 30 30 ILE N N 15 118.534 0.07 . . . . . . . 30 I N . 53878 1 29 . 1 . 1 31 31 ALA H H 1 7.962 0.003 . . . . . . . 31 A HN . 53878 1 30 . 1 . 1 31 31 ALA N N 15 120.660 0.07 . . . . . . . 31 A N . 53878 1 31 . 1 . 1 32 32 GLU H H 1 7.799 0.003 . . . . . . . 32 E HN . 53878 1 32 . 1 . 1 32 32 GLU N N 15 120.381 0.07 . . . . . . . 32 E N . 53878 1 33 . 1 . 1 33 33 PHE H H 1 8.788 0.003 . . . . . . . 33 F HN . 53878 1 34 . 1 . 1 33 33 PHE N N 15 120.403 0.07 . . . . . . . 33 F N . 53878 1 35 . 1 . 1 34 34 LYS H H 1 9.274 0.003 . . . . . . . 34 K HN . 53878 1 36 . 1 . 1 34 34 LYS N N 15 121.683 0.07 . . . . . . . 34 K N . 53878 1 37 . 1 . 1 35 35 GLU H H 1 8.098 0.003 . . . . . . . 35 E HN . 53878 1 38 . 1 . 1 35 35 GLU N N 15 120.743 0.07 . . . . . . . 35 E N . 53878 1 39 . 1 . 1 36 36 ALA H H 1 7.625 0.003 . . . . . . . 36 A HN . 53878 1 40 . 1 . 1 36 36 ALA N N 15 120.955 0.07 . . . . . . . 36 A N . 53878 1 41 . 1 . 1 37 37 PHE H H 1 8.528 0.003 . . . . . . . 37 F HN . 53878 1 42 . 1 . 1 37 37 PHE N N 15 117.995 0.07 . . . . . . . 37 F N . 53878 1 43 . 1 . 1 38 38 SER H H 1 8.477 0.003 . . . . . . . 38 S HN . 53878 1 44 . 1 . 1 38 38 SER N N 15 111.229 0.07 . . . . . . . 38 S N . 53878 1 45 . 1 . 1 39 39 LEU H H 1 7.369 0.003 . . . . . . . 39 L HN . 53878 1 46 . 1 . 1 39 39 LEU N N 15 121.405 0.07 . . . . . . . 39 L N . 53878 1 47 . 1 . 1 40 40 PHE H H 1 7.398 0.003 . . . . . . . 40 F HN . 53878 1 48 . 1 . 1 40 40 PHE N N 15 114.851 0.07 . . . . . . . 40 F N . 53878 1 49 . 1 . 1 41 41 ASP H H 1 7.315 0.003 . . . . . . . 41 D HN . 53878 1 50 . 1 . 1 41 41 ASP N N 15 122.826 0.07 . . . . . . . 41 D N . 53878 1 51 . 1 . 1 42 42 LYS H H 1 8.030 0.003 . . . . . . . 42 K HN . 53878 1 52 . 1 . 1 42 42 LYS N N 15 123.803 0.07 . . . . . . . 42 K N . 53878 1 53 . 1 . 1 43 43 ASP H H 1 8.671 0.003 . . . . . . . 43 D HN . 53878 1 54 . 1 . 1 43 43 ASP N N 15 116.910 0.07 . . . . . . . 43 D N . 53878 1 55 . 1 . 1 44 44 GLY H H 1 7.992 0.003 . . . . . . . 44 G HN . 53878 1 56 . 1 . 1 44 44 GLY N N 15 110.801 0.07 . . . . . . . 44 G N . 53878 1 57 . 1 . 1 45 45 ASP H H 1 8.777 0.003 . . . . . . . 45 D HN . 53878 1 58 . 1 . 1 45 45 ASP N N 15 121.115 0.07 . . . . . . . 45 D N . 53878 1 59 . 1 . 1 46 46 GLY H H 1 10.251 0.003 . . . . . . . 46 G HN . 53878 1 60 . 1 . 1 46 46 GLY N N 15 112.446 0.07 . . . . . . . 46 G N . 53878 1 61 . 1 . 1 47 47 THR H H 1 7.704 0.003 . . . . . . . 47 T HN . 53878 1 62 . 1 . 1 47 47 THR N N 15 110.358 0.07 . . . . . . . 47 T N . 53878 1 63 . 1 . 1 48 48 ILE H H 1 8.298 0.003 . . . . . . . 48 I HN . 53878 1 64 . 1 . 1 48 48 ILE N N 15 110.997 0.07 . . . . . . . 48 I N . 53878 1 65 . 1 . 1 49 49 THR H H 1 8.319 0.003 . . . . . . . 49 T HN . 53878 1 66 . 1 . 1 49 49 THR N N 15 110.986 0.07 . . . . . . . 49 T N . 53878 1 67 . 1 . 1 50 50 THR H H 1 8.334 0.003 . . . . . . . 50 T HN . 53878 1 68 . 1 . 1 50 50 THR N N 15 112.871 0.07 . . . . . . . 50 T N . 53878 1 69 . 1 . 1 51 51 LYS H H 1 7.657 0.003 . . . . . . . 51 K HN . 53878 1 70 . 1 . 1 51 51 LYS N N 15 119.108 0.07 . . . . . . . 51 K N . 53878 1 71 . 1 . 1 52 52 GLU H H 1 7.523 0.003 . . . . . . . 52 E HN . 53878 1 72 . 1 . 1 52 52 GLU N N 15 117.558 0.07 . . . . . . . 52 E N . 53878 1 73 . 1 . 1 53 53 LEU H H 1 7.352 0.003 . . . . . . . 53 L HN . 53878 1 74 . 1 . 1 53 53 LEU N N 15 121.162 0.07 . . . . . . . 53 L N . 53878 1 75 . 1 . 1 54 54 GLY H H 1 8.843 0.003 . . . . . . . 54 G HN . 53878 1 76 . 1 . 1 54 54 GLY N N 15 105.668 0.07 . . . . . . . 54 G N . 53878 1 77 . 1 . 1 55 55 THR H H 1 7.535 0.003 . . . . . . . 55 T HN . 53878 1 78 . 1 . 1 55 55 THR N N 15 118.570 0.07 . . . . . . . 55 T N . 53878 1 79 . 1 . 1 56 56 VAL H H 1 7.968 0.003 . . . . . . . 56 V HN . 53878 1 80 . 1 . 1 56 56 VAL N N 15 122.931 0.07 . . . . . . . 56 V N . 53878 1 81 . 1 . 1 57 57 MET H H 1 8.466 0.003 . . . . . . . 57 M HN . 53878 1 82 . 1 . 1 57 57 MET N N 15 118.896 0.07 . . . . . . . 57 M N . 53878 1 83 . 1 . 1 58 58 ARG H H 1 8.524 0.003 . . . . . . . 58 R HN . 53878 1 84 . 1 . 1 58 58 ARG N N 15 119.629 0.07 . . . . . . . 58 R N . 53878 1 85 . 1 . 1 59 59 SER H H 1 8.124 0.003 . . . . . . . 59 S HN . 53878 1 86 . 1 . 1 59 59 SER N N 15 119.282 0.07 . . . . . . . 59 S N . 53878 1 87 . 1 . 1 60 60 LEU H H 1 7.350 0.003 . . . . . . . 60 L HN . 53878 1 88 . 1 . 1 60 60 LEU N N 15 121.434 0.07 . . . . . . . 60 L N . 53878 1 89 . 1 . 1 61 61 GLY H H 1 7.922 0.003 . . . . . . . 61 G HN . 53878 1 90 . 1 . 1 61 61 GLY N N 15 107.357 0.07 . . . . . . . 61 G N . 53878 1 91 . 1 . 1 62 62 GLN H H 1 7.787 0.003 . . . . . . . 62 Q HN . 53878 1 92 . 1 . 1 62 62 GLN N N 15 118.043 0.07 . . . . . . . 62 Q N . 53878 1 93 . 1 . 1 63 63 ASN H H 1 8.683 0.003 . . . . . . . 63 N HN . 53878 1 94 . 1 . 1 63 63 ASN N N 15 116.906 0.07 . . . . . . . 63 N N . 53878 1 95 . 1 . 1 65 65 THR H H 1 8.809 0.003 . . . . . . . 65 T HN . 53878 1 96 . 1 . 1 65 65 THR N N 15 113.514 0.07 . . . . . . . 65 T N . 53878 1 97 . 1 . 1 66 66 GLU H H 1 8.866 0.003 . . . . . . . 66 E HN . 53878 1 98 . 1 . 1 66 66 GLU N N 15 120.698 0.07 . . . . . . . 66 E N . 53878 1 99 . 1 . 1 67 67 ALA H H 1 8.331 0.003 . . . . . . . 67 A HN . 53878 1 100 . 1 . 1 67 67 ALA N N 15 121.265 0.07 . . . . . . . 67 A N . 53878 1 101 . 1 . 1 68 68 GLU H H 1 7.754 0.003 . . . . . . . 68 E HN . 53878 1 102 . 1 . 1 68 68 GLU N N 15 119.181 0.07 . . . . . . . 68 E N . 53878 1 103 . 1 . 1 69 69 LEU H H 1 8.347 0.003 . . . . . . . 69 L HN . 53878 1 104 . 1 . 1 69 69 LEU N N 15 120.302 0.07 . . . . . . . 69 L N . 53878 1 105 . 1 . 1 70 70 GLN H H 1 8.079 0.003 . . . . . . . 70 Q HN . 53878 1 106 . 1 . 1 70 70 GLN N N 15 117.784 0.07 . . . . . . . 70 Q N . 53878 1 107 . 1 . 1 71 71 ASP H H 1 7.849 0.003 . . . . . . . 71 D HN . 53878 1 108 . 1 . 1 71 71 ASP N N 15 119.179 0.07 . . . . . . . 71 D N . 53878 1 109 . 1 . 1 72 72 MET H H 1 7.976 0.003 . . . . . . . 72 M HN . 53878 1 110 . 1 . 1 72 72 MET N N 15 119.341 0.07 . . . . . . . 72 M N . 53878 1 111 . 1 . 1 73 73 ILE H H 1 8.361 0.003 . . . . . . . 73 I HN . 53878 1 112 . 1 . 1 73 73 ILE N N 15 119.296 0.07 . . . . . . . 73 I N . 53878 1 113 . 1 . 1 74 74 ASN H H 1 8.283 0.003 . . . . . . . 74 N HN . 53878 1 114 . 1 . 1 74 74 ASN N N 15 117.688 0.07 . . . . . . . 74 N N . 53878 1 115 . 1 . 1 75 75 GLU H H 1 7.597 0.003 . . . . . . . 75 E HN . 53878 1 116 . 1 . 1 75 75 GLU N N 15 117.624 0.07 . . . . . . . 75 E N . 53878 1 117 . 1 . 1 76 76 VAL H H 1 7.647 0.003 . . . . . . . 76 V HN . 53878 1 118 . 1 . 1 76 76 VAL N N 15 113.452 0.07 . . . . . . . 76 V N . 53878 1 119 . 1 . 1 77 77 ASP H H 1 8.485 0.003 . . . . . . . 77 D HN . 53878 1 120 . 1 . 1 77 77 ASP N N 15 122.196 0.07 . . . . . . . 77 D N . 53878 1 121 . 1 . 1 78 78 ALA H H 1 8.147 0.003 . . . . . . . 78 A HN . 53878 1 122 . 1 . 1 78 78 ALA N N 15 125.175 0.07 . . . . . . . 78 A N . 53878 1 123 . 1 . 1 79 79 ASP H H 1 8.434 0.003 . . . . . . . 79 D HN . 53878 1 124 . 1 . 1 79 79 ASP N N 15 115.067 0.07 . . . . . . . 79 D N . 53878 1 125 . 1 . 1 80 80 GLY H H 1 7.918 0.003 . . . . . . . 80 G HN . 53878 1 126 . 1 . 1 80 80 GLY N N 15 109.261 0.07 . . . . . . . 80 G N . 53878 1 127 . 1 . 1 81 81 ASN H H 1 9.239 0.003 . . . . . . . 81 N HN . 53878 1 128 . 1 . 1 81 81 ASN N N 15 120.037 0.07 . . . . . . . 81 N N . 53878 1 129 . 1 . 1 82 82 GLY H H 1 9.987 0.003 . . . . . . . 82 G HN . 53878 1 130 . 1 . 1 82 82 GLY N N 15 110.445 0.07 . . . . . . . 82 G N . 53878 1 131 . 1 . 1 83 83 THR H H 1 7.602 0.003 . . . . . . . 83 T HN . 53878 1 132 . 1 . 1 83 83 THR N N 15 111.051 0.07 . . . . . . . 83 T N . 53878 1 133 . 1 . 1 84 84 ILE H H 1 8.921 0.003 . . . . . . . 84 I HN . 53878 1 134 . 1 . 1 84 84 ILE N N 15 119.002 0.07 . . . . . . . 84 I N . 53878 1 135 . 1 . 1 85 85 ASP H H 1 8.600 0.003 . . . . . . . 85 D HN . 53878 1 136 . 1 . 1 85 85 ASP N N 15 124.852 0.07 . . . . . . . 85 D N . 53878 1 137 . 1 . 1 86 86 PHE H H 1 8.638 0.003 . . . . . . . 86 F HN . 53878 1 138 . 1 . 1 86 86 PHE N N 15 118.793 0.07 . . . . . . . 86 F N . 53878 1 139 . 1 . 1 88 88 GLU H H 1 8.093 0.003 . . . . . . . 88 E HN . 53878 1 140 . 1 . 1 88 88 GLU N N 15 117.956 0.07 . . . . . . . 88 E N . 53878 1 141 . 1 . 1 89 89 PHE H H 1 8.492 0.003 . . . . . . . 89 F HN . 53878 1 142 . 1 . 1 89 89 PHE N N 15 122.661 0.07 . . . . . . . 89 F N . 53878 1 143 . 1 . 1 90 90 LEU H H 1 8.475 0.003 . . . . . . . 90 L HN . 53878 1 144 . 1 . 1 90 90 LEU N N 15 118.810 0.07 . . . . . . . 90 L N . 53878 1 145 . 1 . 1 91 91 THR H H 1 7.688 0.003 . . . . . . . 91 T HN . 53878 1 146 . 1 . 1 91 91 THR N N 15 115.050 0.07 . . . . . . . 91 T N . 53878 1 147 . 1 . 1 92 92 MET H H 1 7.729 0.003 . . . . . . . 92 M HN . 53878 1 148 . 1 . 1 92 92 MET N N 15 121.341 0.07 . . . . . . . 92 M N . 53878 1 149 . 1 . 1 93 93 MET H H 1 7.977 0.003 . . . . . . . 93 M HN . 53878 1 150 . 1 . 1 93 93 MET N N 15 118.290 0.07 . . . . . . . 93 M N . 53878 1 151 . 1 . 1 94 94 ALA H H 1 8.317 0.003 . . . . . . . 94 A HN . 53878 1 152 . 1 . 1 94 94 ALA N N 15 121.327 0.07 . . . . . . . 94 A N . 53878 1 153 . 1 . 1 95 95 ARG H H 1 7.571 0.003 . . . . . . . 95 R HN . 53878 1 154 . 1 . 1 95 95 ARG N N 15 116.798 0.07 . . . . . . . 95 R N . 53878 1 155 . 1 . 1 96 96 LYS H H 1 7.706 0.003 . . . . . . . 96 K HN . 53878 1 156 . 1 . 1 96 96 LYS N N 15 118.449 0.07 . . . . . . . 96 K N . 53878 1 157 . 1 . 1 97 97 MET H H 1 7.976 0.003 . . . . . . . 97 M HN . 53878 1 158 . 1 . 1 97 97 MET N N 15 117.514 0.07 . . . . . . . 97 M N . 53878 1 159 . 1 . 1 98 98 LYS H H 1 7.742 0.003 . . . . . . . 98 K HN . 53878 1 160 . 1 . 1 98 98 LYS N N 15 120.354 0.07 . . . . . . . 98 K N . 53878 1 161 . 1 . 1 99 99 ASP H H 1 8.340 0.003 . . . . . . . 99 D HN . 53878 1 162 . 1 . 1 99 99 ASP N N 15 122.456 0.07 . . . . . . . 99 D N . 53878 1 163 . 1 . 1 100 100 THR H H 1 8.164 0.003 . . . . . . . 100 T HN . 53878 1 164 . 1 . 1 100 100 THR N N 15 115.213 0.07 . . . . . . . 100 T N . 53878 1 165 . 1 . 1 101 101 ASP H H 1 8.462 0.003 . . . . . . . 101 D HN . 53878 1 166 . 1 . 1 101 101 ASP N N 15 123.389 0.07 . . . . . . . 101 D N . 53878 1 167 . 1 . 1 102 102 SER H H 1 8.464 0.003 . . . . . . . 102 S HN . 53878 1 168 . 1 . 1 102 102 SER N N 15 117.384 0.07 . . . . . . . 102 S N . 53878 1 169 . 1 . 1 103 103 GLU H H 1 8.413 0.003 . . . . . . . 103 E HN . 53878 1 170 . 1 . 1 103 103 GLU N N 15 122.148 0.07 . . . . . . . 103 E N . 53878 1 171 . 1 . 1 104 104 GLU H H 1 8.184 0.003 . . . . . . . 104 E HN . 53878 1 172 . 1 . 1 104 104 GLU N N 15 118.761 0.07 . . . . . . . 104 E N . 53878 1 173 . 1 . 1 105 105 GLU H H 1 8.033 0.003 . . . . . . . 105 E HN . 53878 1 174 . 1 . 1 105 105 GLU N N 15 119.378 0.07 . . . . . . . 105 E N . 53878 1 175 . 1 . 1 106 106 ILE H H 1 7.937 0.003 . . . . . . . 106 I HN . 53878 1 176 . 1 . 1 106 106 ILE N N 15 120.367 0.07 . . . . . . . 106 I N . 53878 1 177 . 1 . 1 107 107 ARG H H 1 8.361 0.003 . . . . . . . 107 R HN . 53878 1 178 . 1 . 1 107 107 ARG N N 15 119.640 0.07 . . . . . . . 107 R N . 53878 1 179 . 1 . 1 108 108 GLU H H 1 8.410 0.003 . . . . . . . 108 E HN . 53878 1 180 . 1 . 1 108 108 GLU N N 15 117.191 0.07 . . . . . . . 108 E N . 53878 1 181 . 1 . 1 109 109 ALA H H 1 7.508 0.003 . . . . . . . 109 A HN . 53878 1 182 . 1 . 1 109 109 ALA N N 15 121.490 0.07 . . . . . . . 109 A N . 53878 1 183 . 1 . 1 110 110 PHE H H 1 7.498 0.003 . . . . . . . 110 F HN . 53878 1 184 . 1 . 1 110 110 PHE N N 15 114.259 0.07 . . . . . . . 110 F N . 53878 1 185 . 1 . 1 111 111 ARG H H 1 8.254 0.003 . . . . . . . 111 R HN . 53878 1 186 . 1 . 1 111 111 ARG N N 15 118.291 0.07 . . . . . . . 111 R N . 53878 1 187 . 1 . 1 112 112 VAL H H 1 7.181 0.003 . . . . . . . 112 V HN . 53878 1 188 . 1 . 1 112 112 VAL N N 15 116.899 0.07 . . . . . . . 112 V N . 53878 1 189 . 1 . 1 113 113 PHE H H 1 7.363 0.003 . . . . . . . 113 F HN . 53878 1 190 . 1 . 1 113 113 PHE N N 15 115.829 0.07 . . . . . . . 113 F N . 53878 1 191 . 1 . 1 114 114 ASP H H 1 7.845 0.003 . . . . . . . 114 D HN . 53878 1 192 . 1 . 1 114 114 ASP N N 15 121.730 0.07 . . . . . . . 114 D N . 53878 1 193 . 1 . 1 115 115 LYS H H 1 8.361 0.003 . . . . . . . 115 K HN . 53878 1 194 . 1 . 1 115 115 LYS N N 15 124.409 0.07 . . . . . . . 115 K N . 53878 1 195 . 1 . 1 116 116 ASP H H 1 8.658 0.003 . . . . . . . 116 D HN . 53878 1 196 . 1 . 1 116 116 ASP N N 15 116.050 0.07 . . . . . . . 116 D N . 53878 1 197 . 1 . 1 117 117 GLY H H 1 7.957 0.003 . . . . . . . 117 G HN . 53878 1 198 . 1 . 1 117 117 GLY N N 15 110.609 0.07 . . . . . . . 117 G N . 53878 1 199 . 1 . 1 118 118 ASN H H 1 8.960 0.003 . . . . . . . 118 N HN . 53878 1 200 . 1 . 1 118 118 ASN N N 15 119.146 0.07 . . . . . . . 118 N N . 53878 1 201 . 1 . 1 119 119 GLY H H 1 10.111 0.003 . . . . . . . 119 G HN . 53878 1 202 . 1 . 1 119 119 GLY N N 15 111.147 0.07 . . . . . . . 119 G N . 53878 1 203 . 1 . 1 120 120 TYR H H 1 7.893 0.003 . . . . . . . 120 Y HN . 53878 1 204 . 1 . 1 120 120 TYR N N 15 118.823 0.07 . . . . . . . 120 Y N . 53878 1 205 . 1 . 1 121 121 ILE H H 1 8.592 0.003 . . . . . . . 121 I HN . 53878 1 206 . 1 . 1 121 121 ILE N N 15 113.290 0.07 . . . . . . . 121 I N . 53878 1 207 . 1 . 1 122 122 SER H H 1 8.948 0.003 . . . . . . . 122 S HN . 53878 1 208 . 1 . 1 122 122 SER N N 15 117.420 0.07 . . . . . . . 122 S N . 53878 1 209 . 1 . 1 123 123 ALA H H 1 8.801 0.003 . . . . . . . 123 A HN . 53878 1 210 . 1 . 1 123 123 ALA N N 15 124.747 0.07 . . . . . . . 123 A N . 53878 1 211 . 1 . 1 124 124 ALA H H 1 8.266 0.003 . . . . . . . 124 A HN . 53878 1 212 . 1 . 1 124 124 ALA N N 15 119.368 0.07 . . . . . . . 124 A N . 53878 1 213 . 1 . 1 125 125 GLU H H 1 7.741 0.003 . . . . . . . 125 E HN . 53878 1 214 . 1 . 1 125 125 GLU N N 15 120.869 0.07 . . . . . . . 125 E N . 53878 1 215 . 1 . 1 126 126 LEU H H 1 8.236 0.003 . . . . . . . 126 L HN . 53878 1 216 . 1 . 1 126 126 LEU N N 15 120.940 0.07 . . . . . . . 126 L N . 53878 1 217 . 1 . 1 127 127 ARG H H 1 8.069 0.003 . . . . . . . 127 R HN . 53878 1 218 . 1 . 1 127 127 ARG N N 15 117.608 0.07 . . . . . . . 127 R N . 53878 1 219 . 1 . 1 128 128 HIS H H 1 7.749 0.003 . . . . . . . 128 H HN . 53878 1 220 . 1 . 1 128 128 HIS N N 15 119.464 0.07 . . . . . . . 128 H N . 53878 1 221 . 1 . 1 129 129 VAL H H 1 8.116 0.003 . . . . . . . 129 V HN . 53878 1 222 . 1 . 1 129 129 VAL N N 15 119.749 0.07 . . . . . . . 129 V N . 53878 1 223 . 1 . 1 130 130 MET H H 1 8.196 0.003 . . . . . . . 130 M HN . 53878 1 224 . 1 . 1 130 130 MET N N 15 115.499 0.07 . . . . . . . 130 M N . 53878 1 225 . 1 . 1 131 131 THR H H 1 7.955 0.003 . . . . . . . 131 T HN . 53878 1 226 . 1 . 1 131 131 THR N N 15 110.875 0.07 . . . . . . . 131 T N . 53878 1 227 . 1 . 1 132 132 ASN H H 1 7.646 0.003 . . . . . . . 132 N HN . 53878 1 228 . 1 . 1 132 132 ASN N N 15 120.210 0.07 . . . . . . . 132 N N . 53878 1 229 . 1 . 1 133 133 LEU H H 1 7.727 0.003 . . . . . . . 133 L HN . 53878 1 230 . 1 . 1 133 133 LEU N N 15 120.178 0.07 . . . . . . . 133 L N . 53878 1 231 . 1 . 1 134 134 GLY H H 1 8.198 0.003 . . . . . . . 134 G HN . 53878 1 232 . 1 . 1 134 134 GLY N N 15 108.226 0.07 . . . . . . . 134 G N . 53878 1 233 . 1 . 1 135 135 GLU H H 1 8.167 0.003 . . . . . . . 135 E HN . 53878 1 234 . 1 . 1 135 135 GLU N N 15 120.580 0.07 . . . . . . . 135 E N . 53878 1 235 . 1 . 1 136 136 LYS H H 1 8.267 0.003 . . . . . . . 136 K HN . 53878 1 236 . 1 . 1 136 136 LYS N N 15 120.512 0.07 . . . . . . . 136 K N . 53878 1 237 . 1 . 1 138 138 THR H H 1 8.986 0.003 . . . . . . . 138 T HN . 53878 1 238 . 1 . 1 138 138 THR N N 15 113.751 0.07 . . . . . . . 138 T N . 53878 1 239 . 1 . 1 139 139 ASP H H 1 8.811 0.003 . . . . . . . 139 D HN . 53878 1 240 . 1 . 1 139 139 ASP N N 15 121.163 0.07 . . . . . . . 139 D N . 53878 1 241 . 1 . 1 140 140 GLU H H 1 8.596 0.003 . . . . . . . 140 E HN . 53878 1 242 . 1 . 1 140 140 GLU N N 15 118.228 0.07 . . . . . . . 140 E N . 53878 1 243 . 1 . 1 141 141 GLU H H 1 7.803 0.003 . . . . . . . 141 E HN . 53878 1 244 . 1 . 1 141 141 GLU N N 15 120.736 0.07 . . . . . . . 141 E N . 53878 1 245 . 1 . 1 142 142 VAL H H 1 8.209 0.003 . . . . . . . 142 V HN . 53878 1 246 . 1 . 1 142 142 VAL N N 15 120.923 0.07 . . . . . . . 142 V N . 53878 1 247 . 1 . 1 143 143 ASP H H 1 8.383 0.003 . . . . . . . 143 D HN . 53878 1 248 . 1 . 1 143 143 ASP N N 15 119.620 0.07 . . . . . . . 143 D N . 53878 1 249 . 1 . 1 144 144 GLU H H 1 7.863 0.003 . . . . . . . 144 E HN . 53878 1 250 . 1 . 1 144 144 GLU N N 15 119.435 0.07 . . . . . . . 144 E N . 53878 1 251 . 1 . 1 145 145 MET H H 1 7.904 0.003 . . . . . . . 145 M HN . 53878 1 252 . 1 . 1 145 145 MET N N 15 118.869 0.07 . . . . . . . 145 M N . 53878 1 253 . 1 . 1 146 146 ILE H H 1 8.339 0.003 . . . . . . . 146 I HN . 53878 1 254 . 1 . 1 146 146 ILE N N 15 118.568 0.07 . . . . . . . 146 I N . 53878 1 255 . 1 . 1 147 147 ARG H H 1 7.954 0.003 . . . . . . . 147 R HN . 53878 1 256 . 1 . 1 147 147 ARG N N 15 119.943 0.07 . . . . . . . 147 R N . 53878 1 257 . 1 . 1 148 148 GLU H H 1 7.853 0.003 . . . . . . . 148 E HN . 53878 1 258 . 1 . 1 148 148 GLU N N 15 117.156 0.07 . . . . . . . 148 E N . 53878 1 259 . 1 . 1 149 149 ALA H H 1 7.632 0.003 . . . . . . . 149 A HN . 53878 1 260 . 1 . 1 149 149 ALA N N 15 121.674 0.07 . . . . . . . 149 A N . 53878 1 261 . 1 . 1 150 150 ASP H H 1 8.369 0.003 . . . . . . . 150 D HN . 53878 1 262 . 1 . 1 150 150 ASP N N 15 119.979 0.07 . . . . . . . 150 D N . 53878 1 263 . 1 . 1 151 151 ILE H H 1 7.833 0.003 . . . . . . . 151 I HN . 53878 1 264 . 1 . 1 151 151 ILE N N 15 121.482 0.07 . . . . . . . 151 I N . 53878 1 265 . 1 . 1 152 152 ASP H H 1 8.620 0.003 . . . . . . . 152 D HN . 53878 1 266 . 1 . 1 152 152 ASP N N 15 124.389 0.07 . . . . . . . 152 D N . 53878 1 267 . 1 . 1 153 153 GLY H H 1 8.363 0.003 . . . . . . . 153 G HN . 53878 1 268 . 1 . 1 153 153 GLY N N 15 108.279 0.07 . . . . . . . 153 G N . 53878 1 269 . 1 . 1 154 154 ASP H H 1 8.318 0.003 . . . . . . . 154 D HN . 53878 1 270 . 1 . 1 154 154 ASP N N 15 119.737 0.07 . . . . . . . 154 D N . 53878 1 271 . 1 . 1 155 155 GLY H H 1 8.608 0.003 . . . . . . . 155 G HN . 53878 1 272 . 1 . 1 155 155 GLY N N 15 109.945 0.07 . . . . . . . 155 G N . 53878 1 273 . 1 . 1 156 156 GLN H H 1 8.333 0.003 . . . . . . . 156 Q HN . 53878 1 274 . 1 . 1 156 156 GLN N N 15 119.766 0.07 . . . . . . . 156 Q N . 53878 1 275 . 1 . 1 157 157 VAL H H 1 9.458 0.003 . . . . . . . 157 V HN . 53878 1 276 . 1 . 1 157 157 VAL N N 15 119.508 0.07 . . . . . . . 157 V N . 53878 1 277 . 1 . 1 158 158 ASN H H 1 8.808 0.003 . . . . . . . 158 N HN . 53878 1 278 . 1 . 1 158 158 ASN N N 15 125.443 0.07 . . . . . . . 158 N N . 53878 1 279 . 1 . 1 159 159 TYR H H 1 7.524 0.003 . . . . . . . 159 Y HN . 53878 1 280 . 1 . 1 159 159 TYR N N 15 122.281 0.07 . . . . . . . 159 Y N . 53878 1 281 . 1 . 1 160 160 GLU H H 1 8.160 0.003 . . . . . . . 160 E HN . 53878 1 282 . 1 . 1 160 160 GLU N N 15 126.245 0.07 . . . . . . . 160 E N . 53878 1 283 . 1 . 1 161 161 GLU H H 1 7.814 0.003 . . . . . . . 161 E HN . 53878 1 284 . 1 . 1 161 161 GLU N N 15 117.471 0.07 . . . . . . . 161 E N . 53878 1 285 . 1 . 1 162 162 PHE H H 1 7.566 0.003 . . . . . . . 162 F HN . 53878 1 286 . 1 . 1 162 162 PHE N N 15 119.155 0.07 . . . . . . . 162 F N . 53878 1 287 . 1 . 1 163 163 VAL H H 1 8.170 0.003 . . . . . . . 163 V HN . 53878 1 288 . 1 . 1 163 163 VAL N N 15 120.316 0.07 . . . . . . . 163 V N . 53878 1 289 . 1 . 1 164 164 GLN H H 1 7.880 0.003 . . . . . . . 164 Q HN . 53878 1 290 . 1 . 1 164 164 GLN N N 15 117.442 0.07 . . . . . . . 164 Q N . 53878 1 291 . 1 . 1 165 165 MET H H 1 7.780 0.003 . . . . . . . 165 M HN . 53878 1 292 . 1 . 1 165 165 MET N N 15 118.300 0.07 . . . . . . . 165 M N . 53878 1 293 . 1 . 1 166 166 MET H H 1 7.979 0.003 . . . . . . . 166 M HN . 53878 1 294 . 1 . 1 166 166 MET N N 15 116.235 0.07 . . . . . . . 166 M N . 53878 1 295 . 1 . 1 167 167 THR H H 1 7.709 0.003 . . . . . . . 167 T HN . 53878 1 296 . 1 . 1 167 167 THR N N 15 110.510 0.07 . . . . . . . 167 T N . 53878 1 297 . 1 . 1 168 168 ALA H H 1 7.628 0.003 . . . . . . . 168 A HN . 53878 1 298 . 1 . 1 168 168 ALA N N 15 125.803 0.07 . . . . . . . 168 A N . 53878 1 299 . 1 . 1 169 169 LYS H H 1 7.724 0.003 . . . . . . . 169 K HN . 53878 1 300 . 1 . 1 169 169 LYS N N 15 125.742 0.07 . . . . . . . 169 K N . 53878 1 stop_ save_