################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7073 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 . . 2 $sample_1 isotropic 7073 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 9 9 SER H H 1 8.303 0.048 . 1 . . . . 9 SER H . 7073 1 2 . 1 1 9 9 SER CA C 13 58.035 0.01 . 1 . . . . 9 SER CA . 7073 1 3 . 1 1 9 9 SER N N 15 114.981 0.01 . 1 . . . . 9 SER N . 7073 1 4 . 1 1 10 10 LYS H H 1 8.859 0.048 . 1 . . . . 10 LYS H . 7073 1 5 . 1 1 10 10 LYS HA H 1 5.063 0.048 . 1 . . . . 10 LYS HA . 7073 1 6 . 1 1 10 10 LYS CA C 13 55.34 0.01 . 1 . . . . 10 LYS CA . 7073 1 7 . 1 1 10 10 LYS N N 15 122.441 0.01 . 1 . . . . 10 LYS N . 7073 1 8 . 1 1 11 11 TRP H H 1 9.224 0.048 . 1 . . . . 11 TRP H . 7073 1 9 . 1 1 11 11 TRP HA H 1 5.063 0.048 . 1 . . . . 11 TRP HA . 7073 1 10 . 1 1 11 11 TRP CA C 13 55.457 0.01 . 1 . . . . 11 TRP CA . 7073 1 11 . 1 1 11 11 TRP N N 15 127.156 0.01 . 1 . . . . 11 TRP N . 7073 1 12 . 1 1 12 12 ILE H H 1 8.57 0.048 . 1 . . . . 12 ILE H . 7073 1 13 . 1 1 12 12 ILE CA C 13 60.529 0.01 . 1 . . . . 12 ILE CA . 7073 1 14 . 1 1 12 12 ILE N N 15 125.022 0.01 . 1 . . . . 12 ILE N . 7073 1 15 . 1 1 13 13 LYS H H 1 8.153 0.048 . 1 . . . . 13 LYS H . 7073 1 16 . 1 1 13 13 LYS HA H 1 4.912 0.048 . 1 . . . . 13 LYS HA . 7073 1 17 . 1 1 13 13 LYS CA C 13 54.105 0.01 . 1 . . . . 13 LYS CA . 7073 1 18 . 1 1 13 13 LYS N N 15 126.425 0.01 . 1 . . . . 13 LYS N . 7073 1 19 . 1 1 14 14 PHE H H 1 9.67 0.048 . 1 . . . . 14 PHE H . 7073 1 20 . 1 1 14 14 PHE HA H 1 5.586 0.048 . 1 . . . . 14 PHE HA . 7073 1 21 . 1 1 14 14 PHE CA C 13 56.59 0.01 . 1 . . . . 14 PHE CA . 7073 1 22 . 1 1 14 14 PHE N N 15 126.109 0.01 . 1 . . . . 14 PHE N . 7073 1 23 . 1 1 15 15 THR H H 1 8.92 0.048 . 1 . . . . 15 THR H . 7073 1 24 . 1 1 15 15 THR HA H 1 5.045 0.048 . 1 . . . . 15 THR HA . 7073 1 25 . 1 1 15 15 THR CA C 13 61.701 0.01 . 1 . . . . 15 THR CA . 7073 1 26 . 1 1 15 15 THR N N 15 110.504 0.01 . 1 . . . . 15 THR N . 7073 1 27 . 1 1 16 16 THR HA H 1 4.646 0.048 . 1 . . . . 16 THR HA . 7073 1 28 . 1 1 16 16 THR CA C 13 60.296 0.01 . 1 . . . . 16 THR CA . 7073 1 29 . 1 1 16 16 THR H H 1 6.829 0.048 . 1 . . . . 16 THR N . 7073 1 30 . 1 1 17 17 ASN H H 1 7.317 0.048 . 1 . . . . 17 ASN H . 7073 1 31 . 1 1 17 17 ASN HA H 1 5.139 0.048 . 1 . . . . 17 ASN HA . 7073 1 32 . 1 1 17 17 ASN CA C 13 52.266 0.01 . 1 . . . . 17 ASN CA . 7073 1 33 . 1 1 17 17 ASN N N 15 122.854 0.01 . 1 . . . . 17 ASN N . 7073 1 34 . 1 1 18 18 LEU H H 1 7.867 0.048 . 1 . . . . 18 LEU H . 7073 1 35 . 1 1 18 18 LEU HA H 1 4.289 0.048 . 1 . . . . 18 LEU HA . 7073 1 36 . 1 1 18 18 LEU CA C 13 55.469 0.01 . 1 . . . . 18 LEU CA . 7073 1 37 . 1 1 18 18 LEU N N 15 121.903 0.01 . 1 . . . . 18 LEU N . 7073 1 38 . 1 1 19 19 THR H H 1 8.728 0.048 . 1 . . . . 19 THR H . 7073 1 39 . 1 1 19 19 THR HA H 1 4.571 0.048 . 1 . . . . 19 THR HA . 7073 1 40 . 1 1 19 19 THR CA C 13 60.396 0.01 . 1 . . . . 19 THR CA . 7073 1 41 . 1 1 19 19 THR N N 15 112.922 0.01 . 1 . . . . 19 THR N . 7073 1 42 . 1 1 21 21 GLU CA C 13 60.109 0.01 . 1 . . . . 21 GLU CA . 7073 1 43 . 1 1 21 21 GLU N N 15 116.134 0.01 . 1 . . . . 21 GLU N . 7073 1 44 . 1 1 22 22 GLU H H 1 8.624 0.048 . 1 . . . . 22 GLU H . 7073 1 45 . 1 1 22 22 GLU CA C 13 58.618 0.01 . 1 . . . . 22 GLU CA . 7073 1 46 . 1 1 22 22 GLU N N 15 118.933 0.01 . 1 . . . . 22 GLU N . 7073 1 47 . 1 1 23 23 ALA H H 1 9.064 0.048 . 1 . . . . 23 ALA H . 7073 1 48 . 1 1 23 23 ALA HA H 1 3.735 0.048 . 1 . . . . 23 ALA HA . 7073 1 49 . 1 1 23 23 ALA CA C 13 55.089 0.01 . 1 . . . . 23 ALA CA . 7073 1 50 . 1 1 23 23 ALA N N 15 119.725 0.01 . 1 . . . . 23 ALA N . 7073 1 51 . 1 1 24 24 LYS H H 1 7.298 0.048 . 1 . . . . 24 LYS H . 7073 1 52 . 1 1 24 24 LYS HA H 1 3.941 0.048 . 1 . . . . 24 LYS HA . 7073 1 53 . 1 1 24 24 LYS CA C 13 59.632 0.01 . 1 . . . . 24 LYS CA . 7073 1 54 . 1 1 24 24 LYS N N 15 115.914 0.01 . 1 . . . . 24 LYS N . 7073 1 55 . 1 1 25 25 ILE H H 1 6.935 0.048 . 1 . . . . 25 ILE H . 7073 1 56 . 1 1 25 25 ILE HA H 1 3.809 0.048 . 1 . . . . 25 ILE HA . 7073 1 57 . 1 1 25 25 ILE CA C 13 64.174 0.01 . 1 . . . . 25 ILE CA . 7073 1 58 . 1 1 25 25 ILE N N 15 119.258 0.01 . 1 . . . . 25 ILE N . 7073 1 59 . 1 1 26 26 VAL H H 1 8.31 0.048 . 1 . . . . 26 VAL H . 7073 1 60 . 1 1 26 26 VAL HA H 1 3.568 0.048 . 1 . . . . 26 VAL HA . 7073 1 61 . 1 1 26 26 VAL CA C 13 66.653 0.01 . 1 . . . . 26 VAL CA . 7073 1 62 . 1 1 26 26 VAL N N 15 120.817 0.01 . 1 . . . . 26 VAL N . 7073 1 63 . 1 1 27 27 GLN H H 1 8.624 0.048 . 1 . . . . 27 GLN H . 7073 1 64 . 1 1 27 27 GLN CA C 13 60.286 0.01 . 1 . . . . 27 GLN CA . 7073 1 65 . 1 1 27 27 GLN N N 15 118.202 0.01 . 1 . . . . 27 GLN N . 7073 1 66 . 1 1 28 28 TYR H H 1 7.382 0.048 . 1 . . . . 28 TYR H . 7073 1 67 . 1 1 28 28 TYR HA H 1 4.103 0.048 . 1 . . . . 28 TYR HA . 7073 1 68 . 1 1 28 28 TYR CA C 13 61.362 0.01 . 1 . . . . 28 TYR CA . 7073 1 69 . 1 1 28 28 TYR N N 15 118.607 0.01 . 1 . . . . 28 TYR N . 7073 1 70 . 1 1 29 29 GLU H H 1 8.356 0.048 . 1 . . . . 29 GLU H . 7073 1 71 . 1 1 29 29 GLU HA H 1 3.612 0.048 . 1 . . . . 29 GLU HA . 7073 1 72 . 1 1 29 29 GLU CA C 13 59.697 0.01 . 1 . . . . 29 GLU CA . 7073 1 73 . 1 1 29 29 GLU N N 15 120.099 0.01 . 1 . . . . 29 GLU N . 7073 1 74 . 1 1 30 30 LEU H H 1 8.367 0.048 . 1 . . . . 30 LEU H . 7073 1 75 . 1 1 30 30 LEU HA H 1 3.468 0.048 . 1 . . . . 30 LEU HA . 7073 1 76 . 1 1 30 30 LEU CA C 13 57.257 0.01 . 1 . . . . 30 LEU CA . 7073 1 77 . 1 1 30 30 LEU N N 15 115.793 0.01 . 1 . . . . 30 LEU N . 7073 1 78 . 1 1 31 31 SER H H 1 7.69 0.048 . 1 . . . . 31 SER H . 7073 1 79 . 1 1 31 31 SER HA H 1 4.068 0.048 . 1 . . . . 31 SER HA . 7073 1 80 . 1 1 31 31 SER CA C 13 61.456 0.01 . 1 . . . . 31 SER CA . 7073 1 81 . 1 1 31 31 SER N N 15 111.184 0.01 . 1 . . . . 31 SER N . 7073 1 82 . 1 1 32 32 THR H H 1 7.063 0.048 . 1 . . . . 32 THR H . 7073 1 83 . 1 1 32 32 THR HA H 1 4.222 0.048 . 1 . . . . 32 THR HA . 7073 1 84 . 1 1 32 32 THR CA C 13 62.292 0.01 . 1 . . . . 32 THR CA . 7073 1 85 . 1 1 32 32 THR N N 15 109.613 0.01 . 1 . . . . 32 THR N . 7073 1 86 . 1 1 33 33 ARG H H 1 7.424 0.048 . 1 . . . . 33 ARG H . 7073 1 87 . 1 1 33 33 ARG CA C 13 55.973 0.01 . 1 . . . . 33 ARG CA . 7073 1 88 . 1 1 33 33 ARG N N 15 122.98 0.01 . 1 . . . . 33 ARG N . 7073 1 89 . 1 1 34 34 ASP H H 1 8.716 0.048 . 1 . . . . 34 ASP H . 7073 1 90 . 1 1 34 34 ASP CA C 13 57.081 0.01 . 1 . . . . 34 ASP CA . 7073 1 91 . 1 1 34 34 ASP N N 15 123.407 0.01 . 1 . . . . 34 ASP N . 7073 1 92 . 1 1 36 36 PHE H H 1 7.482 0.048 . 1 . . . . 36 PHE H . 7073 1 93 . 1 1 36 36 PHE CA C 13 57.302 0.01 . 1 . . . . 36 PHE CA . 7073 1 94 . 1 1 36 36 PHE N N 15 118.291 0.01 . 1 . . . . 36 PHE N . 7073 1 95 . 1 1 37 37 TYR H H 1 8.599 0.048 . 1 . . . . 37 TYR H . 7073 1 96 . 1 1 37 37 TYR HA H 1 4.527 0.048 . 1 . . . . 37 TYR HA . 7073 1 97 . 1 1 37 37 TYR CA C 13 57.337 0.01 . 1 . . . . 37 TYR CA . 7073 1 98 . 1 1 37 37 TYR N N 15 122.947 0.01 . 1 . . . . 37 TYR N . 7073 1 99 . 1 1 38 38 ARG H H 1 7.809 0.048 . 1 . . . . 38 ARG H . 7073 1 100 . 1 1 38 38 ARG CA C 13 55.526 0.01 . 1 . . . . 38 ARG CA . 7073 1 101 . 1 1 38 38 ARG N N 15 115.448 0.01 . 1 . . . . 38 ARG N . 7073 1 102 . 1 1 40 40 PHE H H 1 9.101 0.048 . 1 . . . . 40 PHE H . 7073 1 103 . 1 1 40 40 PHE CA C 13 56.739 0.01 . 1 . . . . 40 PHE CA . 7073 1 104 . 1 1 40 40 PHE N N 15 127.638 0.01 . 1 . . . . 40 PHE N . 7073 1 105 . 1 1 41 41 ILE H H 1 8.44 0.048 . 1 . . . . 41 ILE H . 7073 1 106 . 1 1 41 41 ILE CA C 13 61.332 0.01 . 1 . . . . 41 ILE CA . 7073 1 107 . 1 1 41 41 ILE N N 15 125.281 0.01 . 1 . . . . 41 ILE N . 7073 1 108 . 1 1 42 42 ASN H H 1 8.885 0.048 . 1 . . . . 42 ASN H . 7073 1 109 . 1 1 42 42 ASN HA H 1 5.224 0.048 . 1 . . . . 42 ASN HA . 7073 1 110 . 1 1 42 42 ASN CA C 13 48.645 0.01 . 1 . . . . 42 ASN CA . 7073 1 111 . 1 1 42 42 ASN N N 15 123.858 0.01 . 1 . . . . 42 ASN N . 7073 1 112 . 1 1 44 44 TYR H H 1 7.684 0.048 . 1 . . . . 44 TYR H . 7073 1 113 . 1 1 44 44 TYR HA H 1 4.366 0.048 . 1 . . . . 44 TYR HA . 7073 1 114 . 1 1 44 44 TYR CA C 13 59.98 0.01 . 1 . . . . 44 TYR CA . 7073 1 115 . 1 1 44 44 TYR N N 15 119.256 0.01 . 1 . . . . 44 TYR N . 7073 1 116 . 1 1 45 45 ALA H H 1 7.108 0.048 . 1 . . . . 45 ALA H . 7073 1 117 . 1 1 45 45 ALA CA C 13 51.513 0.01 . 1 . . . . 45 ALA CA . 7073 1 118 . 1 1 45 45 ALA N N 15 119.865 0.01 . 1 . . . . 45 ALA N . 7073 1 119 . 1 1 46 46 LYS H H 1 7.598 0.048 . 1 . . . . 46 LYS H . 7073 1 120 . 1 1 46 46 LYS HA H 1 3.693 0.048 . 1 . . . . 46 LYS HA . 7073 1 121 . 1 1 46 46 LYS CA C 13 58.305 0.01 . 1 . . . . 46 LYS CA . 7073 1 122 . 1 1 46 46 LYS N N 15 112.81 0.01 . 1 . . . . 46 LYS N . 7073 1 123 . 1 1 47 47 VAL H H 1 7.737 0.048 . 1 . . . . 47 VAL H . 7073 1 124 . 1 1 47 47 VAL HA H 1 5.309 0.048 . 1 . . . . 47 VAL HA . 7073 1 125 . 1 1 47 47 VAL CA C 13 59.692 0.01 . 1 . . . . 47 VAL CA . 7073 1 126 . 1 1 47 47 VAL N N 15 114.034 0.01 . 1 . . . . 47 VAL N . 7073 1 127 . 1 1 48 48 ALA H H 1 9.214 0.048 . 1 . . . . 48 ALA H . 7073 1 128 . 1 1 48 48 ALA HA H 1 5.18 0.048 . 1 . . . . 48 ALA HA . 7073 1 129 . 1 1 48 48 ALA CA C 13 49.933 0.01 . 1 . . . . 48 ALA CA . 7073 1 130 . 1 1 48 48 ALA N N 15 124.741 0.01 . 1 . . . . 48 ALA N . 7073 1 131 . 1 1 49 49 GLU H H 1 9.393 0.048 . 1 . . . . 49 GLU H . 7073 1 132 . 1 1 49 49 GLU HA H 1 5.507 0.048 . 1 . . . . 49 GLU HA . 7073 1 133 . 1 1 49 49 GLU CA C 13 55.076 0.01 . 1 . . . . 49 GLU CA . 7073 1 134 . 1 1 49 49 GLU N N 15 118.93 0.01 . 1 . . . . 49 GLU N . 7073 1 135 . 1 1 50 50 VAL H H 1 8.839 0.048 . 1 . . . . 50 VAL H . 7073 1 136 . 1 1 50 50 VAL HA H 1 5.375 0.048 . 1 . . . . 50 VAL HA . 7073 1 137 . 1 1 50 50 VAL CA C 13 58.088 0.01 . 1 . . . . 50 VAL CA . 7073 1 138 . 1 1 50 50 VAL N N 15 113.17 0.01 . 1 . . . . 50 VAL N . 7073 1 139 . 1 1 51 51 VAL H H 1 8.478 0.048 . 1 . . . . 51 VAL H . 7073 1 140 . 1 1 51 51 VAL CA C 13 61.946 0.01 . 1 . . . . 51 VAL CA . 7073 1 141 . 1 1 51 51 VAL N N 15 120.353 0.01 . 1 . . . . 51 VAL N . 7073 1 142 . 1 1 52 52 ILE H H 1 9.176 0.048 . 1 . . . . 52 ILE H . 7073 1 143 . 1 1 52 52 ILE HA H 1 5.152 0.048 . 1 . . . . 52 ILE HA . 7073 1 144 . 1 1 52 52 ILE CA C 13 58.757 0.01 . 1 . . . . 52 ILE CA . 7073 1 145 . 1 1 52 52 ILE N N 15 120.079 0.01 . 1 . . . . 52 ILE N . 7073 1 146 . 1 1 53 53 ASP H H 1 7.796 0.048 . 1 . . . . 53 ASP H . 7073 1 147 . 1 1 53 53 ASP CA C 13 53.405 0.01 . 1 . . . . 53 ASP CA . 7073 1 148 . 1 1 53 53 ASP N N 15 119.997 0.01 . 1 . . . . 53 ASP N . 7073 1 149 . 1 1 54 54 ASP H H 1 8.573 0.048 . 1 . . . . 54 ASP H . 7073 1 150 . 1 1 54 54 ASP HA H 1 4.134 0.048 . 1 . . . . 54 ASP HA . 7073 1 151 . 1 1 54 54 ASP CA C 13 55.896 0.01 . 1 . . . . 54 ASP CA . 7073 1 152 . 1 1 54 54 ASP N N 15 124.024 0.01 . 1 . . . . 54 ASP N . 7073 1 153 . 1 1 55 55 SER H H 1 8.553 0.048 . 1 . . . . 55 SER H . 7073 1 154 . 1 1 55 55 SER HA H 1 4.307 0.048 . 1 . . . . 55 SER HA . 7073 1 155 . 1 1 55 55 SER CA C 13 60.303 0.01 . 1 . . . . 55 SER CA . 7073 1 156 . 1 1 55 55 SER N N 15 114.92 0.01 . 1 . . . . 55 SER N . 7073 1 157 . 1 1 56 56 LYS H H 1 7.503 0.048 . 1 . . . . 56 LYS H . 7073 1 158 . 1 1 56 56 LYS HA H 1 4.476 0.048 . 1 . . . . 56 LYS HA . 7073 1 159 . 1 1 56 56 LYS CA C 13 55.603 0.01 . 1 . . . . 56 LYS CA . 7073 1 160 . 1 1 56 56 LYS N N 15 119.608 0.01 . 1 . . . . 56 LYS N . 7073 1 161 . 1 1 57 57 VAL H H 1 7.082 0.048 . 1 . . . . 57 VAL H . 7073 1 162 . 1 1 57 57 VAL HA H 1 3.982 0.048 . 1 . . . . 57 VAL HA . 7073 1 163 . 1 1 57 57 VAL CA C 13 61.945 0.01 . 1 . . . . 57 VAL CA . 7073 1 164 . 1 1 57 57 VAL N N 15 118.764 0.01 . 1 . . . . 57 VAL N . 7073 1 165 . 1 1 59 59 ILE H H 1 9.031 0.048 . 1 . . . . 59 ILE H . 7073 1 166 . 1 1 59 59 ILE CA C 13 62.901 0.01 . 1 . . . . 59 ILE CA . 7073 1 167 . 1 1 59 59 ILE N N 15 127.726 0.01 . 1 . . . . 59 ILE N . 7073 1 168 . 1 1 60 60 GLU H H 1 8.144 0.048 . 1 . . . . 60 GLU H . 7073 1 169 . 1 1 60 60 GLU HA H 1 4.015 0.048 . 1 . . . . 60 GLU HA . 7073 1 170 . 1 1 60 60 GLU CA C 13 59.725 0.01 . 1 . . . . 60 GLU CA . 7073 1 171 . 1 1 60 60 GLU N N 15 119.913 0.01 . 1 . . . . 60 GLU N . 7073 1 172 . 1 1 61 61 GLU H H 1 7.572 0.048 . 1 . . . . 61 GLU H . 7073 1 173 . 1 1 61 61 GLU CA C 13 58.746 0.01 . 1 . . . . 61 GLU CA . 7073 1 174 . 1 1 61 61 GLU N N 15 119.799 0.01 . 1 . . . . 61 GLU N . 7073 1 175 . 1 1 62 62 LEU H H 1 7.678 0.048 . 1 . . . . 62 LEU H . 7073 1 176 . 1 1 62 62 LEU HA H 1 3.873 0.048 . 1 . . . . 62 LEU HA . 7073 1 177 . 1 1 62 62 LEU CA C 13 57.79 0.01 . 1 . . . . 62 LEU CA . 7073 1 178 . 1 1 62 62 LEU N N 15 120.737 0.01 . 1 . . . . 62 LEU N . 7073 1 179 . 1 1 63 63 LYS H H 1 8.499 0.048 . 1 . . . . 63 LYS H . 7073 1 180 . 1 1 63 63 LYS HA H 1 3.529 0.048 . 1 . . . . 63 LYS HA . 7073 1 181 . 1 1 63 63 LYS CA C 13 60.632 0.01 . 1 . . . . 63 LYS CA . 7073 1 182 . 1 1 63 63 LYS N N 15 117.938 0.01 . 1 . . . . 63 LYS N . 7073 1 183 . 1 1 64 64 GLU H H 1 7.233 0.048 . 1 . . . . 64 GLU H . 7073 1 184 . 1 1 64 64 GLU HA H 1 4.064 0.048 . 1 . . . . 64 GLU HA . 7073 1 185 . 1 1 64 64 GLU CA C 13 59.056 0.01 . 1 . . . . 64 GLU CA . 7073 1 186 . 1 1 64 64 GLU N N 15 116.776 0.01 . 1 . . . . 64 GLU N . 7073 1 187 . 1 1 65 65 LYS H H 1 8.095 0.048 . 1 . . . . 65 LYS H . 7073 1 188 . 1 1 65 65 LYS HA H 1 3.904 0.048 . 1 . . . . 65 LYS HA . 7073 1 189 . 1 1 65 65 LYS CA C 13 58.427 0.01 . 1 . . . . 65 LYS CA . 7073 1 190 . 1 1 65 65 LYS N N 15 120.335 0.01 . 1 . . . . 65 LYS N . 7073 1 191 . 1 1 66 66 LEU H H 1 7.845 0.048 . 1 . . . . 66 LEU H . 7073 1 192 . 1 1 66 66 LEU HA H 1 3.981 0.048 . 1 . . . . 66 LEU HA . 7073 1 193 . 1 1 66 66 LEU CA C 13 54.215 0.01 . 1 . . . . 66 LEU CA . 7073 1 194 . 1 1 66 66 LEU N N 15 112.02 0.01 . 1 . . . . 66 LEU N . 7073 1 195 . 1 1 67 67 LYS H H 1 7.734 0.048 . 1 . . . . 67 LYS H . 7073 1 196 . 1 1 67 67 LYS HA H 1 3.898 0.048 . 1 . . . . 67 LYS HA . 7073 1 197 . 1 1 67 67 LYS CA C 13 56.723 0.01 . 1 . . . . 67 LYS CA . 7073 1 198 . 1 1 67 67 LYS N N 15 118.982 0.01 . 1 . . . . 67 LYS N . 7073 1 199 . 1 1 68 68 GLY H H 1 7.91 0.048 . 2 . . . . 68 GLY H . 7073 1 200 . 1 1 68 68 GLY CA C 13 45.722 0.01 . 2 . . . . 68 GLY CA . 7073 1 201 . 1 1 68 68 GLY N N 15 104.542 0.01 . 2 . . . . 68 GLY N . 7073 1 202 . 1 1 69 69 GLU H H 1 8.049 0.048 . 1 . . . . 69 GLU H . 7073 1 203 . 1 1 69 69 GLU CA C 13 53.847 0.01 . 1 . . . . 69 GLU CA . 7073 1 204 . 1 1 69 69 GLU N N 15 115.475 0.01 . 1 . . . . 69 GLU N . 7073 1 205 . 1 1 70 70 VAL H H 1 8.848 0.048 . 1 . . . . 70 VAL H . 7073 1 206 . 1 1 70 70 VAL HA H 1 3.16 0.048 . 1 . . . . 70 VAL HA . 7073 1 207 . 1 1 70 70 VAL CA C 13 64.583 0.01 . 1 . . . . 70 VAL CA . 7073 1 208 . 1 1 70 70 VAL N N 15 121.857 0.01 . 1 . . . . 70 VAL N . 7073 1 209 . 1 1 71 71 ILE H H 1 9.452 0.048 . 1 . . . . 71 ILE H . 7073 1 210 . 1 1 71 71 ILE HA H 1 4.17 0.048 . 1 . . . . 71 ILE HA . 7073 1 211 . 1 1 71 71 ILE CA C 13 62.715 0.01 . 1 . . . . 71 ILE CA . 7073 1 212 . 1 1 71 71 ILE N N 15 126.344 0.01 . 1 . . . . 71 ILE N . 7073 1 213 . 1 1 72 72 GLU H H 1 7.512 0.048 . 1 . . . . 72 GLU H . 7073 1 214 . 1 1 72 72 GLU HA H 1 4.521 0.048 . 1 . . . . 72 GLU HA . 7073 1 215 . 1 1 72 72 GLU CA C 13 55.765 0.01 . 1 . . . . 72 GLU CA . 7073 1 216 . 1 1 72 72 GLU N N 15 117.519 0.01 . 1 . . . . 72 GLU N . 7073 1 217 . 1 1 73 73 GLU H H 1 8.443 0.048 . 1 . . . . 73 GLU H . 7073 1 218 . 1 1 73 73 GLU HA H 1 5.35 0.048 . 1 . . . . 73 GLU HA . 7073 1 219 . 1 1 73 73 GLU CA C 13 54.772 0.01 . 1 . . . . 73 GLU CA . 7073 1 220 . 1 1 73 73 GLU N N 15 118.586 0.01 . 1 . . . . 73 GLU N . 7073 1 221 . 1 1 74 74 LYS H H 1 9.581 0.048 . 1 . . . . 74 LYS H . 7073 1 222 . 1 1 74 74 LYS HA H 1 4.705 0.048 . 1 . . . . 74 LYS HA . 7073 1 223 . 1 1 74 74 LYS CA C 13 56.315 0.01 . 1 . . . . 74 LYS CA . 7073 1 224 . 1 1 74 74 LYS N N 15 120.691 0.01 . 1 . . . . 74 LYS N . 7073 1 225 . 1 1 75 75 GLU H H 1 8.808 0.048 . 1 . . . . 75 GLU H . 7073 1 226 . 1 1 75 75 GLU HA H 1 4.593 0.048 . 1 . . . . 75 GLU HA . 7073 1 227 . 1 1 75 75 GLU CA C 13 57.179 0.01 . 1 . . . . 75 GLU CA . 7073 1 228 . 1 1 75 75 GLU N N 15 124.191 0.01 . 1 . . . . 75 GLU N . 7073 1 229 . 1 1 76 76 ILE H H 1 8.204 0.048 . 1 . . . . 76 ILE HN . 7073 1 230 . 1 1 76 76 ILE CA C 13 59.703 0.01 . 1 . . . . 76 ILE CA . 7073 1 231 . 1 1 76 76 ILE N N 15 121.62 0.01 . 1 . . . . 76 ILE N . 7073 1 232 . 1 1 77 77 THR H H 1 8.427 0.048 . 1 . . . . 77 THR HN . 7073 1 233 . 1 1 77 77 THR CA C 13 60.61 0.01 . 1 . . . . 77 THR CA . 7073 1 234 . 1 1 77 77 THR N N 15 116.145 0.01 . 1 . . . . 77 THR N . 7073 1 235 . 1 1 78 78 LEU H H 1 8.612 0.048 . 1 . . . . 78 LEU HN . 7073 1 236 . 1 1 78 78 LEU CA C 13 57.47 0.01 . 1 . . . . 78 LEU CA . 7073 1 237 . 1 1 78 78 LEU N N 15 122.166 0.01 . 1 . . . . 78 LEU N . 7073 1 238 . 1 1 79 79 GLU H H 1 8.258 0.048 . 1 . . . . 79 GLU HN . 7073 1 239 . 1 1 79 79 GLU CA C 13 58.815 0.01 . 1 . . . . 79 GLU CA . 7073 1 240 . 1 1 79 79 GLU N N 15 116.857 0.01 . 1 . . . . 79 GLU N . 7073 1 241 . 1 1 80 80 GLU H H 1 7.655 0.048 . 1 . . . . 80 GLU HN . 7073 1 242 . 1 1 80 80 GLU CA C 13 58.506 0.01 . 1 . . . . 80 GLU CA . 7073 1 243 . 1 1 80 80 GLU N N 15 118.18 0.01 . 1 . . . . 80 GLU N . 7073 1 244 . 1 1 81 81 LEU H H 1 7.836 0.048 . 1 . . . . 81 LEU HN . 7073 1 245 . 1 1 81 81 LEU CA C 13 57.042 0.01 . 1 . . . . 81 LEU CA . 7073 1 246 . 1 1 81 81 LEU N N 15 120.775 0.01 . 1 . . . . 81 LEU N . 7073 1 247 . 1 1 82 82 ILE H H 1 8.046 0.048 . 1 . . . . 82 ILE HN . 7073 1 248 . 1 1 82 82 ILE CA C 13 63.437 0.01 . 1 . . . . 82 ILE CA . 7073 1 249 . 1 1 82 82 ILE N N 15 119.004 0.01 . 1 . . . . 82 ILE N . 7073 1 stop_ save_