################################### # 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 53876 _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' . . . 53876 1 2 '3D HNCO' . . . 53876 1 3 '3D HNCA' . . . 53876 1 4 '3D HN(CO)CA' . . . 53876 1 5 '3D HNCACB' . . . 53876 1 6 '3D CBCA(CO)NH' . . . 53876 1 7 '3D C(CO)NH' . . . 53876 1 8 '3D 1H-15N NOESY' . . . 53876 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 . . 53876 1 2 $software_2 . . 53876 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 8.397 0.003 . . . . . . . 13 G HN . 53876 1 2 . 1 . 1 13 13 GLY N N 15 110.490 0.09 . . . . . . . 13 G N . 53876 1 3 . 1 . 1 14 14 LEU H H 1 8.055 0.003 . . . . . . . 14 L HN . 53876 1 4 . 1 . 1 14 14 LEU N N 15 121.368 0.09 . . . . . . . 14 L N . 53876 1 5 . 1 . 1 15 15 VAL H H 1 8.053 0.003 . . . . . . . 15 V HN . 53876 1 6 . 1 . 1 15 15 VAL N N 15 121.707 0.09 . . . . . . . 15 V N . 53876 1 7 . 1 . 1 17 17 ARG H H 1 8.491 0.003 . . . . . . . 17 R HN . 53876 1 8 . 1 . 1 17 17 ARG N N 15 121.876 0.09 . . . . . . . 17 R N . 53876 1 9 . 1 . 1 18 18 GLY H H 1 8.525 0.003 . . . . . . . 18 G HN . 53876 1 10 . 1 . 1 18 18 GLY N N 15 110.216 0.09 . . . . . . . 18 G N . 53876 1 11 . 1 . 1 19 19 SER H H 1 8.188 0.003 . . . . . . . 19 S HN . 53876 1 12 . 1 . 1 19 19 SER N N 15 115.429 0.09 . . . . . . . 19 S N . 53876 1 13 . 1 . 1 22 22 ALA H H 1 8.384 0.003 . . . . . . . 22 A HN . 53876 1 14 . 1 . 1 22 22 ALA N N 15 123.139 0.09 . . . . . . . 22 A N . 53876 1 15 . 1 . 1 23 23 ASP H H 1 8.071 0.003 . . . . . . . 23 D HN . 53876 1 16 . 1 . 1 23 23 ASP N N 15 117.384 0.09 . . . . . . . 23 D N . 53876 1 17 . 1 . 1 24 24 GLN H H 1 7.958 0.003 . . . . . . . 24 Q HN . 53876 1 18 . 1 . 1 24 24 GLN N N 15 117.533 0.09 . . . . . . . 24 Q N . 53876 1 19 . 1 . 1 25 25 LEU H H 1 7.829 0.003 . . . . . . . 25 L HN . 53876 1 20 . 1 . 1 25 25 LEU N N 15 120.732 0.09 . . . . . . . 25 L N . 53876 1 21 . 1 . 1 26 26 THR H H 1 8.769 0.003 . . . . . . . 26 T HN . 53876 1 22 . 1 . 1 26 26 THR N N 15 112.662 0.09 . . . . . . . 26 T N . 53876 1 23 . 1 . 1 27 27 GLU H H 1 9.037 0.003 . . . . . . . 27 E HN . 53876 1 24 . 1 . 1 27 27 GLU N N 15 120.506 0.09 . . . . . . . 27 E N . 53876 1 25 . 1 . 1 28 28 GLU H H 1 8.746 0.003 . . . . . . . 28 E HN . 53876 1 26 . 1 . 1 28 28 GLU N N 15 119.340 0.09 . . . . . . . 28 E N . 53876 1 27 . 1 . 1 29 29 GLN H H 1 7.740 0.003 . . . . . . . 29 Q HN . 53876 1 28 . 1 . 1 29 29 GLN N N 15 120.611 0.09 . . . . . . . 29 Q N . 53876 1 29 . 1 . 1 30 30 ILE H H 1 8.251 0.003 . . . . . . . 30 I HN . 53876 1 30 . 1 . 1 30 30 ILE N N 15 118.514 0.09 . . . . . . . 30 I N . 53876 1 31 . 1 . 1 31 31 ALA H H 1 7.973 0.003 . . . . . . . 31 A HN . 53876 1 32 . 1 . 1 31 31 ALA N N 15 120.670 0.09 . . . . . . . 31 A N . 53876 1 33 . 1 . 1 32 32 GLU H H 1 7.809 0.003 . . . . . . . 32 E HN . 53876 1 34 . 1 . 1 32 32 GLU N N 15 120.239 0.09 . . . . . . . 32 E N . 53876 1 35 . 1 . 1 33 33 PHE H H 1 8.780 0.003 . . . . . . . 33 F HN . 53876 1 36 . 1 . 1 33 33 PHE N N 15 120.268 0.09 . . . . . . . 33 F N . 53876 1 37 . 1 . 1 34 34 LYS H H 1 9.267 0.003 . . . . . . . 34 K HN . 53876 1 38 . 1 . 1 34 34 LYS N N 15 121.592 0.09 . . . . . . . 34 K N . 53876 1 39 . 1 . 1 35 35 GLU H H 1 8.097 0.003 . . . . . . . 35 E HN . 53876 1 40 . 1 . 1 35 35 GLU N N 15 120.626 0.09 . . . . . . . 35 E N . 53876 1 41 . 1 . 1 36 36 ALA H H 1 7.639 0.003 . . . . . . . 36 A HN . 53876 1 42 . 1 . 1 36 36 ALA N N 15 120.902 0.09 . . . . . . . 36 A N . 53876 1 43 . 1 . 1 37 37 PHE H H 1 8.522 0.003 . . . . . . . 37 F HN . 53876 1 44 . 1 . 1 37 37 PHE N N 15 117.872 0.09 . . . . . . . 37 F N . 53876 1 45 . 1 . 1 38 38 SER H H 1 8.471 0.003 . . . . . . . 38 S HN . 53876 1 46 . 1 . 1 38 38 SER N N 15 111.162 0.09 . . . . . . . 38 S N . 53876 1 47 . 1 . 1 39 39 LEU H H 1 7.380 0.003 . . . . . . . 39 L HN . 53876 1 48 . 1 . 1 39 39 LEU N N 15 121.286 0.09 . . . . . . . 39 L N . 53876 1 49 . 1 . 1 40 40 PHE H H 1 7.390 0.003 . . . . . . . 40 F HN . 53876 1 50 . 1 . 1 40 40 PHE N N 15 114.785 0.09 . . . . . . . 40 F N . 53876 1 51 . 1 . 1 41 41 ASP H H 1 7.323 0.003 . . . . . . . 41 D HN . 53876 1 52 . 1 . 1 41 41 ASP N N 15 122.740 0.09 . . . . . . . 41 D N . 53876 1 53 . 1 . 1 42 42 LYS H H 1 8.039 0.003 . . . . . . . 42 K HN . 53876 1 54 . 1 . 1 42 42 LYS N N 15 123.643 0.09 . . . . . . . 42 K N . 53876 1 55 . 1 . 1 43 43 ASP H H 1 8.637 0.003 . . . . . . . 43 D HN . 53876 1 56 . 1 . 1 43 43 ASP N N 15 116.793 0.09 . . . . . . . 43 D N . 53876 1 57 . 1 . 1 44 44 GLY H H 1 7.991 0.003 . . . . . . . 44 G HN . 53876 1 58 . 1 . 1 44 44 GLY N N 15 110.659 0.09 . . . . . . . 44 G N . 53876 1 59 . 1 . 1 45 45 ASP H H 1 8.768 0.003 . . . . . . . 45 D HN . 53876 1 60 . 1 . 1 45 45 ASP N N 15 121.099 0.09 . . . . . . . 45 D N . 53876 1 61 . 1 . 1 46 46 GLY H H 1 10.276 0.003 . . . . . . . 46 G HN . 53876 1 62 . 1 . 1 46 46 GLY N N 15 112.423 0.09 . . . . . . . 46 G N . 53876 1 63 . 1 . 1 47 47 THR H H 1 7.730 0.003 . . . . . . . 47 T HN . 53876 1 64 . 1 . 1 47 47 THR N N 15 110.370 0.09 . . . . . . . 47 T N . 53876 1 65 . 1 . 1 48 48 ILE H H 1 8.338 0.003 . . . . . . . 48 I HN . 53876 1 66 . 1 . 1 48 48 ILE N N 15 111.111 0.09 . . . . . . . 48 I N . 53876 1 67 . 1 . 1 49 49 THR H H 1 8.335 0.003 . . . . . . . 49 T HN . 53876 1 68 . 1 . 1 49 49 THR N N 15 110.965 0.09 . . . . . . . 49 T N . 53876 1 69 . 1 . 1 50 50 THR H H 1 8.329 0.003 . . . . . . . 50 T HN . 53876 1 70 . 1 . 1 50 50 THR N N 15 112.724 0.09 . . . . . . . 50 T N . 53876 1 71 . 1 . 1 51 51 LYS H H 1 7.659 0.003 . . . . . . . 51 K HN . 53876 1 72 . 1 . 1 51 51 LYS N N 15 119.138 0.09 . . . . . . . 51 K N . 53876 1 73 . 1 . 1 52 52 GLU H H 1 7.527 0.003 . . . . . . . 52 E HN . 53876 1 74 . 1 . 1 52 52 GLU N N 15 117.542 0.09 . . . . . . . 52 E N . 53876 1 75 . 1 . 1 53 53 LEU H H 1 7.352 0.003 . . . . . . . 53 L HN . 53876 1 76 . 1 . 1 53 53 LEU N N 15 121.116 0.09 . . . . . . . 53 L N . 53876 1 77 . 1 . 1 54 54 GLY H H 1 8.826 0.003 . . . . . . . 54 G HN . 53876 1 78 . 1 . 1 54 54 GLY N N 15 105.666 0.09 . . . . . . . 54 G N . 53876 1 79 . 1 . 1 55 55 THR H H 1 7.542 0.003 . . . . . . . 55 T HN . 53876 1 80 . 1 . 1 55 55 THR N N 15 118.546 0.09 . . . . . . . 55 T N . 53876 1 81 . 1 . 1 56 56 VAL H H 1 7.967 0.003 . . . . . . . 56 V HN . 53876 1 82 . 1 . 1 56 56 VAL N N 15 122.852 0.09 . . . . . . . 56 V N . 53876 1 83 . 1 . 1 57 57 MET H H 1 8.460 0.003 . . . . . . . 57 M HN . 53876 1 84 . 1 . 1 57 57 MET N N 15 118.722 0.09 . . . . . . . 57 M N . 53876 1 85 . 1 . 1 58 58 ARG H H 1 8.514 0.003 . . . . . . . 58 R HN . 53876 1 86 . 1 . 1 58 58 ARG N N 15 119.626 0.09 . . . . . . . 58 R N . 53876 1 87 . 1 . 1 59 59 SER H H 1 8.122 0.003 . . . . . . . 59 S HN . 53876 1 88 . 1 . 1 59 59 SER N N 15 119.212 0.09 . . . . . . . 59 S N . 53876 1 89 . 1 . 1 60 60 LEU H H 1 7.350 0.003 . . . . . . . 60 L HN . 53876 1 90 . 1 . 1 60 60 LEU N N 15 121.294 0.09 . . . . . . . 60 L N . 53876 1 91 . 1 . 1 61 61 GLY H H 1 7.924 0.003 . . . . . . . 61 G HN . 53876 1 92 . 1 . 1 61 61 GLY N N 15 107.282 0.09 . . . . . . . 61 G N . 53876 1 93 . 1 . 1 62 62 GLN H H 1 7.802 0.003 . . . . . . . 62 Q HN . 53876 1 94 . 1 . 1 62 62 GLN N N 15 117.963 0.09 . . . . . . . 62 Q N . 53876 1 95 . 1 . 1 63 63 ASN H H 1 8.674 0.003 . . . . . . . 63 N HN . 53876 1 96 . 1 . 1 63 63 ASN N N 15 116.822 0.09 . . . . . . . 63 N N . 53876 1 97 . 1 . 1 65 65 THR H H 1 8.788 0.003 . . . . . . . 65 T HN . 53876 1 98 . 1 . 1 65 65 THR N N 15 113.377 0.09 . . . . . . . 65 T N . 53876 1 99 . 1 . 1 66 66 GLU H H 1 8.870 0.003 . . . . . . . 66 E HN . 53876 1 100 . 1 . 1 66 66 GLU N N 15 120.706 0.09 . . . . . . . 66 E N . 53876 1 101 . 1 . 1 67 67 ALA H H 1 8.334 0.003 . . . . . . . 67 A HN . 53876 1 102 . 1 . 1 67 67 ALA N N 15 121.148 0.09 . . . . . . . 67 A N . 53876 1 103 . 1 . 1 68 68 GLU H H 1 7.747 0.003 . . . . . . . 68 E HN . 53876 1 104 . 1 . 1 68 68 GLU N N 15 119.074 0.09 . . . . . . . 68 E N . 53876 1 105 . 1 . 1 69 69 LEU H H 1 8.344 0.003 . . . . . . . 69 L HN . 53876 1 106 . 1 . 1 69 69 LEU N N 15 120.293 0.09 . . . . . . . 69 L N . 53876 1 107 . 1 . 1 70 70 GLN H H 1 8.095 0.003 . . . . . . . 70 Q HN . 53876 1 108 . 1 . 1 70 70 GLN N N 15 117.788 0.09 . . . . . . . 70 Q N . 53876 1 109 . 1 . 1 71 71 ASP H H 1 7.854 0.003 . . . . . . . 71 D HN . 53876 1 110 . 1 . 1 71 71 ASP N N 15 119.132 0.09 . . . . . . . 71 D N . 53876 1 111 . 1 . 1 72 72 MET H H 1 7.964 0.003 . . . . . . . 72 M HN . 53876 1 112 . 1 . 1 72 72 MET N N 15 119.232 0.09 . . . . . . . 72 M N . 53876 1 113 . 1 . 1 73 73 ILE H H 1 8.364 0.003 . . . . . . . 73 I HN . 53876 1 114 . 1 . 1 73 73 ILE N N 15 119.253 0.09 . . . . . . . 73 I N . 53876 1 115 . 1 . 1 74 74 ASN H H 1 8.274 0.003 . . . . . . . 74 N HN . 53876 1 116 . 1 . 1 74 74 ASN N N 15 117.629 0.09 . . . . . . . 74 N N . 53876 1 117 . 1 . 1 75 75 GLU H H 1 7.598 0.003 . . . . . . . 75 E HN . 53876 1 118 . 1 . 1 75 75 GLU N N 15 117.590 0.09 . . . . . . . 75 E N . 53876 1 119 . 1 . 1 76 76 VAL H H 1 7.644 0.003 . . . . . . . 76 V HN . 53876 1 120 . 1 . 1 76 76 VAL N N 15 113.346 0.09 . . . . . . . 76 V N . 53876 1 121 . 1 . 1 77 77 ASP H H 1 8.485 0.003 . . . . . . . 77 D HN . 53876 1 122 . 1 . 1 77 77 ASP N N 15 122.196 0.09 . . . . . . . 77 D N . 53876 1 123 . 1 . 1 78 78 ALA H H 1 8.149 0.003 . . . . . . . 78 A HN . 53876 1 124 . 1 . 1 78 78 ALA N N 15 125.157 0.09 . . . . . . . 78 A N . 53876 1 125 . 1 . 1 79 79 ASP H H 1 8.437 0.003 . . . . . . . 79 D HN . 53876 1 126 . 1 . 1 79 79 ASP N N 15 115.073 0.09 . . . . . . . 79 D N . 53876 1 127 . 1 . 1 80 80 GLY H H 1 7.925 0.003 . . . . . . . 80 G HN . 53876 1 128 . 1 . 1 80 80 GLY N N 15 109.211 0.09 . . . . . . . 80 G N . 53876 1 129 . 1 . 1 81 81 ASN H H 1 9.243 0.003 . . . . . . . 81 N HN . 53876 1 130 . 1 . 1 81 81 ASN N N 15 119.937 0.09 . . . . . . . 81 N N . 53876 1 131 . 1 . 1 82 82 GLY H H 1 9.988 0.003 . . . . . . . 82 G HN . 53876 1 132 . 1 . 1 82 82 GLY N N 15 110.425 0.09 . . . . . . . 82 G N . 53876 1 133 . 1 . 1 83 83 THR H H 1 7.602 0.003 . . . . . . . 83 T HN . 53876 1 134 . 1 . 1 83 83 THR N N 15 111.036 0.09 . . . . . . . 83 T N . 53876 1 135 . 1 . 1 84 84 ILE H H 1 8.915 0.003 . . . . . . . 84 I HN . 53876 1 136 . 1 . 1 84 84 ILE N N 15 118.916 0.09 . . . . . . . 84 I N . 53876 1 137 . 1 . 1 85 85 ASP H H 1 8.647 0.003 . . . . . . . 85 D HN . 53876 1 138 . 1 . 1 85 85 ASP N N 15 124.874 0.09 . . . . . . . 85 D N . 53876 1 139 . 1 . 1 86 86 PHE H H 1 8.641 0.003 . . . . . . . 86 F HN . 53876 1 140 . 1 . 1 86 86 PHE N N 15 118.750 0.09 . . . . . . . 86 F N . 53876 1 141 . 1 . 1 88 88 GLU H H 1 8.091 0.003 . . . . . . . 88 E HN . 53876 1 142 . 1 . 1 88 88 GLU N N 15 117.944 0.09 . . . . . . . 88 E N . 53876 1 143 . 1 . 1 89 89 PHE H H 1 8.489 0.003 . . . . . . . 89 F HN . 53876 1 144 . 1 . 1 89 89 PHE N N 15 122.419 0.09 . . . . . . . 89 F N . 53876 1 145 . 1 . 1 90 90 LEU H H 1 8.486 0.003 . . . . . . . 90 L HN . 53876 1 146 . 1 . 1 90 90 LEU N N 15 118.773 0.09 . . . . . . . 90 L N . 53876 1 147 . 1 . 1 91 91 THR H H 1 7.713 0.003 . . . . . . . 91 T HN . 53876 1 148 . 1 . 1 91 91 THR N N 15 115.065 0.09 . . . . . . . 91 T N . 53876 1 149 . 1 . 1 92 92 MET H H 1 7.743 0.003 . . . . . . . 92 M HN . 53876 1 150 . 1 . 1 92 92 MET N N 15 121.267 0.09 . . . . . . . 92 M N . 53876 1 151 . 1 . 1 93 93 MET H H 1 8.004 0.003 . . . . . . . 93 M HN . 53876 1 152 . 1 . 1 93 93 MET N N 15 117.564 0.09 . . . . . . . 93 M N . 53876 1 153 . 1 . 1 94 94 ALA H H 1 8.354 0.003 . . . . . . . 94 A HN . 53876 1 154 . 1 . 1 94 94 ALA N N 15 121.358 0.09 . . . . . . . 94 A N . 53876 1 155 . 1 . 1 95 95 ARG H H 1 7.609 0.003 . . . . . . . 95 R HN . 53876 1 156 . 1 . 1 95 95 ARG N N 15 116.729 0.09 . . . . . . . 95 R N . 53876 1 157 . 1 . 1 96 96 LYS H H 1 7.718 0.003 . . . . . . . 96 K HN . 53876 1 158 . 1 . 1 96 96 LYS N N 15 118.379 0.09 . . . . . . . 96 K N . 53876 1 159 . 1 . 1 97 97 MET H H 1 8.003 0.003 . . . . . . . 97 M HN . 53876 1 160 . 1 . 1 97 97 MET N N 15 118.045 0.09 . . . . . . . 97 M N . 53876 1 161 . 1 . 1 98 98 LYS H H 1 7.724 0.003 . . . . . . . 98 K HN . 53876 1 162 . 1 . 1 98 98 LYS N N 15 120.045 0.09 . . . . . . . 98 K N . 53876 1 163 . 1 . 1 99 99 ASP H H 1 8.273 0.003 . . . . . . . 99 D HN . 53876 1 164 . 1 . 1 99 99 ASP N N 15 121.815 0.09 . . . . . . . 99 D N . 53876 1 165 . 1 . 1 100 100 THR H H 1 8.126 0.003 . . . . . . . 100 T HN . 53876 1 166 . 1 . 1 100 100 THR N N 15 114.955 0.09 . . . . . . . 100 T N . 53876 1 167 . 1 . 1 101 101 ASP H H 1 8.442 0.003 . . . . . . . 101 D HN . 53876 1 168 . 1 . 1 101 101 ASP N N 15 123.304 0.09 . . . . . . . 101 D N . 53876 1 169 . 1 . 1 102 102 SER H H 1 8.439 0.003 . . . . . . . 102 S HN . 53876 1 170 . 1 . 1 102 102 SER N N 15 117.114 0.09 . . . . . . . 102 S N . 53876 1 171 . 1 . 1 139 139 ASP H H 1 8.800 0.003 . . . . . . . 139 D HN . 53876 1 172 . 1 . 1 139 139 ASP N N 15 121.183 0.09 . . . . . . . 139 D N . 53876 1 173 . 1 . 1 140 140 GLU H H 1 8.592 0.003 . . . . . . . 140 E HN . 53876 1 174 . 1 . 1 140 140 GLU N N 15 118.347 0.09 . . . . . . . 140 E N . 53876 1 175 . 1 . 1 141 141 GLU H H 1 7.814 0.003 . . . . . . . 141 E HN . 53876 1 176 . 1 . 1 141 141 GLU N N 15 120.669 0.09 . . . . . . . 141 E N . 53876 1 177 . 1 . 1 168 168 ALA H H 1 7.702 0.003 . . . . . . . 168 A HN . 53876 1 178 . 1 . 1 168 168 ALA N N 15 125.424 0.09 . . . . . . . 168 A N . 53876 1 179 . 1 . 1 171 171 GLY H H 1 8.363 0.003 . . . . . . . 171 G HN . 53876 1 180 . 1 . 1 171 171 GLY N N 15 108.886 0.09 . . . . . . . 171 G N . 53876 1 181 . 1 . 1 172 172 THR H H 1 8.203 0.003 . . . . . . . 172 T HN . 53876 1 182 . 1 . 1 172 172 THR N N 15 112.745 0.09 . . . . . . . 172 T N . 53876 1 183 . 1 . 1 173 173 ASP H H 1 8.487 0.003 . . . . . . . 173 D HN . 53876 1 184 . 1 . 1 173 173 ASP N N 15 122.060 0.09 . . . . . . . 173 D N . 53876 1 185 . 1 . 1 174 174 ASP H H 1 8.222 0.003 . . . . . . . 174 D HN . 53876 1 186 . 1 . 1 174 174 ASP N N 15 120.099 0.09 . . . . . . . 174 D N . 53876 1 187 . 1 . 1 175 175 ASP H H 1 8.242 0.003 . . . . . . . 175 D HN . 53876 1 188 . 1 . 1 175 175 ASP N N 15 120.535 0.09 . . . . . . . 175 D N . 53876 1 189 . 1 . 1 176 176 ASP H H 1 8.275 0.003 . . . . . . . 176 D HN . 53876 1 190 . 1 . 1 176 176 ASP N N 15 120.324 0.09 . . . . . . . 176 D N . 53876 1 191 . 1 . 1 177 177 LYS H H 1 8.091 0.003 . . . . . . . 177 K HN . 53876 1 192 . 1 . 1 177 177 LYS N N 15 120.594 0.09 . . . . . . . 177 K N . 53876 1 193 . 1 . 1 180 180 GLY H H 1 8.227 0.003 . . . . . . . 180 G HN . 53876 1 194 . 1 . 1 180 180 GLY N N 15 107.641 0.09 . . . . . . . 180 G N . 53876 1 195 . 1 . 1 207 207 ASN H H 1 7.582 0.003 . . . . . . . 207 N HN . 53876 1 196 . 1 . 1 207 207 ASN N N 15 115.568 0.09 . . . . . . . 207 N N . 53876 1 197 . 1 . 1 208 208 LEU H H 1 7.467 0.003 . . . . . . . 208 L HN . 53876 1 198 . 1 . 1 208 208 LEU N N 15 120.546 0.09 . . . . . . . 208 L N . 53876 1 199 . 1 . 1 209 209 VAL H H 1 7.717 0.003 . . . . . . . 209 V HN . 53876 1 200 . 1 . 1 209 209 VAL N N 15 121.029 0.09 . . . . . . . 209 V N . 53876 1 201 . 1 . 1 211 211 ARG H H 1 8.494 0.003 . . . . . . . 211 R HN . 53876 1 202 . 1 . 1 211 211 ARG N N 15 122.000 0.09 . . . . . . . 211 R N . 53876 1 203 . 1 . 1 212 212 THR H H 1 8.265 0.003 . . . . . . . 212 T HN . 53876 1 204 . 1 . 1 212 212 THR N N 15 115.811 0.09 . . . . . . . 212 T N . 53876 1 205 . 1 . 1 213 213 GLU H H 1 8.479 0.003 . . . . . . . 213 E HN . 53876 1 206 . 1 . 1 213 213 GLU N N 15 123.727 0.09 . . . . . . . 213 E N . 53876 1 207 . 1 . 1 214 214 SER H H 1 8.010 0.003 . . . . . . . 214 S HN . 53876 1 208 . 1 . 1 214 214 SER N N 15 122.411 0.09 . . . . . . . 214 S N . 53876 1 stop_ save_