################################### # 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_shift_set1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set1 _Assigned_chem_shift_list.Entry_ID 4883 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample1 . 4883 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 2 2 LYS N N 15 123.160 0.250 . 1 . . . . . . . . 4883 1 2 . 1 1 2 2 LYS H H 1 8.760 0.030 . 1 . . . . . . . . 4883 1 3 . 1 1 3 3 ILE N N 15 129.658 0.250 . 1 . . . . . . . . 4883 1 4 . 1 1 3 3 ILE H H 1 8.729 0.030 . 1 . . . . . . . . 4883 1 5 . 1 1 4 4 PHE N N 15 126.670 0.250 . 1 . . . . . . . . 4883 1 6 . 1 1 4 4 PHE H H 1 8.532 0.030 . 1 . . . . . . . . 4883 1 7 . 1 1 5 5 SER N N 15 112.439 0.250 . 1 . . . . . . . . 4883 1 8 . 1 1 5 5 SER H H 1 7.765 0.030 . 1 . . . . . . . . 4883 1 9 . 1 1 6 6 LYS N N 15 122.810 0.250 . 1 . . . . . . . . 4883 1 10 . 1 1 6 6 LYS H H 1 8.573 0.030 . 1 . . . . . . . . 4883 1 11 . 1 1 7 7 CYS N N 15 113.420 0.250 . 1 . . . . . . . . 4883 1 12 . 1 1 7 7 CYS H H 1 8.689 0.030 . 1 . . . . . . . . 4883 1 13 . 1 1 8 8 GLU N N 15 123.548 0.250 . 1 . . . . . . . . 4883 1 14 . 1 1 8 8 GLU H H 1 7.741 0.030 . 1 . . . . . . . . 4883 1 15 . 1 1 9 9 LEU N N 15 119.783 0.250 . 1 . . . . . . . . 4883 1 16 . 1 1 9 9 LEU H H 1 8.584 0.030 . 1 . . . . . . . . 4883 1 17 . 1 1 10 10 ALA N N 15 121.087 0.250 . 1 . . . . . . . . 4883 1 18 . 1 1 10 10 ALA H H 1 8.498 0.030 . 1 . . . . . . . . 4883 1 19 . 1 1 11 11 ARG N N 15 116.128 0.250 . 1 . . . . . . . . 4883 1 20 . 1 1 11 11 ARG H H 1 8.028 0.030 . 1 . . . . . . . . 4883 1 21 . 1 1 12 12 LYS N N 15 121.317 0.250 . 1 . . . . . . . . 4883 1 22 . 1 1 12 12 LYS H H 1 7.776 0.030 . 1 . . . . . . . . 4883 1 23 . 1 1 13 13 LEU N N 15 117.538 0.250 . 1 . . . . . . . . 4883 1 24 . 1 1 13 13 LEU H H 1 9.041 0.030 . 1 . . . . . . . . 4883 1 25 . 1 1 14 14 LYS N N 15 121.834 0.250 . 1 . . . . . . . . 4883 1 26 . 1 1 14 14 LYS H H 1 8.632 0.030 . 1 . . . . . . . . 4883 1 27 . 1 1 15 15 SER N N 15 115.850 0.250 . 1 . . . . . . . . 4883 1 28 . 1 1 15 15 SER H H 1 7.970 0.030 . 1 . . . . . . . . 4883 1 29 . 1 1 16 16 MET N N 15 117.999 0.250 . 1 . . . . . . . . 4883 1 30 . 1 1 16 16 MET H H 1 7.062 0.030 . 1 . . . . . . . . 4883 1 31 . 1 1 17 17 GLY N N 15 106.373 0.250 . 1 . . . . . . . . 4883 1 32 . 1 1 17 17 GLY H H 1 7.524 0.030 . 1 . . . . . . . . 4883 1 33 . 1 1 18 18 MET N N 15 112.531 0.250 . 1 . . . . . . . . 4883 1 34 . 1 1 18 18 MET H H 1 7.231 0.030 . 1 . . . . . . . . 4883 1 35 . 1 1 19 19 ASP N N 15 118.015 0.250 . 1 . . . . . . . . 4883 1 36 . 1 1 19 19 ASP H H 1 8.874 0.030 . 1 . . . . . . . . 4883 1 37 . 1 1 20 20 GLY N N 15 119.343 0.250 . 1 . . . . . . . . 4883 1 38 . 1 1 20 20 GLY H H 1 8.600 0.030 . 1 . . . . . . . . 4883 1 39 . 1 1 21 21 PHE N N 15 125.816 0.250 . 1 . . . . . . . . 4883 1 40 . 1 1 21 21 PHE H H 1 8.127 0.030 . 1 . . . . . . . . 4883 1 41 . 1 1 22 22 HIS N N 15 128.441 0.250 . 1 . . . . . . . . 4883 1 42 . 1 1 22 22 HIS H H 1 9.277 0.030 . 1 . . . . . . . . 4883 1 43 . 1 1 23 23 GLY N N 15 102.115 0.250 . 1 . . . . . . . . 4883 1 44 . 1 1 23 23 GLY H H 1 7.862 0.030 . 1 . . . . . . . . 4883 1 45 . 1 1 24 24 TYR N N 15 119.158 0.250 . 1 . . . . . . . . 4883 1 46 . 1 1 24 24 TYR H H 1 7.406 0.030 . 1 . . . . . . . . 4883 1 47 . 1 1 25 25 SER N N 15 119.557 0.250 . 1 . . . . . . . . 4883 1 48 . 1 1 25 25 SER H H 1 8.975 0.030 . 1 . . . . . . . . 4883 1 49 . 1 1 26 26 LEU N N 15 121.366 0.250 . 1 . . . . . . . . 4883 1 50 . 1 1 26 26 LEU H H 1 8.775 0.030 . 1 . . . . . . . . 4883 1 51 . 1 1 27 27 ALA N N 15 117.332 0.250 . 1 . . . . . . . . 4883 1 52 . 1 1 27 27 ALA H H 1 9.129 0.030 . 1 . . . . . . . . 4883 1 53 . 1 1 28 28 ASN N N 15 115.749 0.250 . 1 . . . . . . . . 4883 1 54 . 1 1 28 28 ASN H H 1 7.782 0.030 . 1 . . . . . . . . 4883 1 55 . 1 1 29 29 TRP N N 15 118.460 0.250 . 1 . . . . . . . . 4883 1 56 . 1 1 29 29 TRP H H 1 7.374 0.030 . 1 . . . . . . . . 4883 1 57 . 1 1 30 30 VAL N N 15 116.671 0.250 . 1 . . . . . . . . 4883 1 58 . 1 1 30 30 VAL H H 1 8.264 0.030 . 1 . . . . . . . . 4883 1 59 . 1 1 31 31 CYS N N 15 120.456 0.250 . 1 . . . . . . . . 4883 1 60 . 1 1 31 31 CYS H H 1 8.634 0.030 . 1 . . . . . . . . 4883 1 61 . 1 1 32 32 MET N N 15 119.233 0.250 . 1 . . . . . . . . 4883 1 62 . 1 1 32 32 MET H H 1 8.220 0.030 . 1 . . . . . . . . 4883 1 63 . 1 1 33 33 ALA N N 15 121.986 0.250 . 1 . . . . . . . . 4883 1 64 . 1 1 33 33 ALA H H 1 7.553 0.030 . 1 . . . . . . . . 4883 1 65 . 1 1 34 34 GLU N N 15 120.007 0.250 . 1 . . . . . . . . 4883 1 66 . 1 1 34 34 GLU H H 1 8.754 0.030 . 1 . . . . . . . . 4883 1 67 . 1 1 35 35 TYR N N 15 113.072 0.250 . 1 . . . . . . . . 4883 1 68 . 1 1 35 35 TYR H H 1 7.664 0.030 . 1 . . . . . . . . 4883 1 69 . 1 1 36 36 GLU N N 15 119.107 0.250 . 1 . . . . . . . . 4883 1 70 . 1 1 36 36 GLU H H 1 8.717 0.030 . 1 . . . . . . . . 4883 1 71 . 1 1 37 37 SER N N 15 108.311 0.250 . 1 . . . . . . . . 4883 1 72 . 1 1 37 37 SER H H 1 7.982 0.030 . 1 . . . . . . . . 4883 1 73 . 1 1 38 38 ASN N N 15 125.304 0.250 . 1 . . . . . . . . 4883 1 74 . 1 1 38 38 ASN H H 1 7.995 0.030 . 1 . . . . . . . . 4883 1 75 . 1 1 39 39 PHE N N 15 104.911 0.250 . 1 . . . . . . . . 4883 1 76 . 1 1 39 39 PHE H H 1 7.150 0.030 . 1 . . . . . . . . 4883 1 77 . 1 1 40 40 ASN N N 15 118.142 0.250 . 1 . . . . . . . . 4883 1 78 . 1 1 40 40 ASN H H 1 7.269 0.030 . 1 . . . . . . . . 4883 1 79 . 1 1 41 41 THR N N 15 115.921 0.250 . 1 . . . . . . . . 4883 1 80 . 1 1 41 41 THR H H 1 8.234 0.030 . 1 . . . . . . . . 4883 1 81 . 1 1 42 42 GLN N N 15 114.663 0.250 . 1 . . . . . . . . 4883 1 82 . 1 1 42 42 GLN H H 1 7.601 0.030 . 1 . . . . . . . . 4883 1 83 . 1 1 43 43 ALA N N 15 122.697 0.250 . 1 . . . . . . . . 4883 1 84 . 1 1 43 43 ALA H H 1 6.962 0.030 . 1 . . . . . . . . 4883 1 85 . 1 1 44 44 PHE N N 15 120.509 0.250 . 1 . . . . . . . . 4883 1 86 . 1 1 44 44 PHE H H 1 8.276 0.030 . 1 . . . . . . . . 4883 1 87 . 1 1 45 45 ASN N N 15 124.748 0.250 . 1 . . . . . . . . 4883 1 88 . 1 1 45 45 ASN H H 1 7.876 0.030 . 1 . . . . . . . . 4883 1 89 . 1 1 46 46 GLY N N 15 112.503 0.250 . 1 . . . . . . . . 4883 1 90 . 1 1 46 46 GLY H H 1 8.536 0.030 . 1 . . . . . . . . 4883 1 91 . 1 1 47 47 ARG N N 15 120.493 0.250 . 1 . . . . . . . . 4883 1 92 . 1 1 47 47 ARG H H 1 7.687 0.030 . 1 . . . . . . . . 4883 1 93 . 1 1 48 48 ASN N N 15 120.477 0.250 . 1 . . . . . . . . 4883 1 94 . 1 1 48 48 ASN H H 1 7.930 0.030 . 1 . . . . . . . . 4883 1 95 . 1 1 49 49 SER N N 15 118.244 0.250 . 1 . . . . . . . . 4883 1 96 . 1 1 49 49 SER H H 1 8.928 0.030 . 1 . . . . . . . . 4883 1 97 . 1 1 50 50 ASN N N 15 117.062 0.250 . 1 . . . . . . . . 4883 1 98 . 1 1 50 50 ASN H H 1 8.091 0.030 . 1 . . . . . . . . 4883 1 99 . 1 1 51 51 GLY N N 15 107.342 0.250 . 1 . . . . . . . . 4883 1 100 . 1 1 51 51 GLY H H 1 8.004 0.030 . 1 . . . . . . . . 4883 1 101 . 1 1 52 52 SER N N 15 115.836 0.250 . 1 . . . . . . . . 4883 1 102 . 1 1 52 52 SER H H 1 7.770 0.030 . 1 . . . . . . . . 4883 1 103 . 1 1 53 53 SER N N 15 114.083 0.250 . 1 . . . . . . . . 4883 1 104 . 1 1 53 53 SER H H 1 8.545 0.030 . 1 . . . . . . . . 4883 1 105 . 1 1 55 55 TYR N N 15 118.761 0.250 . 1 . . . . . . . . 4883 1 106 . 1 1 55 55 TYR H H 1 9.027 0.030 . 1 . . . . . . . . 4883 1 107 . 1 1 56 56 GLY N N 15 112.673 0.250 . 1 . . . . . . . . 4883 1 108 . 1 1 56 56 GLY H H 1 9.062 0.030 . 1 . . . . . . . . 4883 1 109 . 1 1 57 57 ILE N N 15 123.930 0.250 . 1 . . . . . . . . 4883 1 110 . 1 1 57 57 ILE H H 1 9.746 0.030 . 1 . . . . . . . . 4883 1 111 . 1 1 58 58 PHE N N 15 117.300 0.250 . 1 . . . . . . . . 4883 1 112 . 1 1 58 58 PHE H H 1 8.922 0.030 . 1 . . . . . . . . 4883 1 113 . 1 1 59 59 GLN N N 15 116.203 0.250 . 1 . . . . . . . . 4883 1 114 . 1 1 59 59 GLN H H 1 8.227 0.030 . 1 . . . . . . . . 4883 1 115 . 1 1 60 60 LEU N N 15 119.657 0.250 . 1 . . . . . . . . 4883 1 116 . 1 1 60 60 LEU H H 1 7.782 0.030 . 1 . . . . . . . . 4883 1 117 . 1 1 61 61 ASN N N 15 118.095 0.250 . 1 . . . . . . . . 4883 1 118 . 1 1 61 61 ASN H H 1 9.203 0.030 . 1 . . . . . . . . 4883 1 119 . 1 1 62 62 SER N N 15 113.708 0.250 . 1 . . . . . . . . 4883 1 120 . 1 1 62 62 SER H H 1 8.031 0.030 . 1 . . . . . . . . 4883 1 121 . 1 1 63 63 LYS N N 15 123.255 0.250 . 1 . . . . . . . . 4883 1 122 . 1 1 63 63 LYS H H 1 8.497 0.030 . 1 . . . . . . . . 4883 1 123 . 1 1 64 64 TRP N N 15 114.472 0.250 . 1 . . . . . . . . 4883 1 124 . 1 1 64 64 TRP H H 1 7.108 0.030 . 1 . . . . . . . . 4883 1 125 . 1 1 65 65 TRP N N 15 114.773 0.250 . 1 . . . . . . . . 4883 1 126 . 1 1 65 65 TRP H H 1 7.273 0.030 . 1 . . . . . . . . 4883 1 127 . 1 1 66 66 CYS N N 15 111.179 0.250 . 1 . . . . . . . . 4883 1 128 . 1 1 66 66 CYS H H 1 7.535 0.030 . 1 . . . . . . . . 4883 1 129 . 1 1 67 67 LYS N N 15 121.899 0.250 . 1 . . . . . . . . 4883 1 130 . 1 1 67 67 LYS H H 1 8.574 0.030 . 1 . . . . . . . . 4883 1 131 . 1 1 68 68 SER N N 15 124.859 0.250 . 1 . . . . . . . . 4883 1 132 . 1 1 68 68 SER H H 1 9.183 0.030 . 1 . . . . . . . . 4883 1 133 . 1 1 69 69 ASN N N 15 119.170 0.250 . 1 . . . . . . . . 4883 1 134 . 1 1 69 69 ASN H H 1 8.551 0.030 . 1 . . . . . . . . 4883 1 135 . 1 1 70 70 SER N N 15 112.562 0.250 . 1 . . . . . . . . 4883 1 136 . 1 1 70 70 SER H H 1 8.249 0.030 . 1 . . . . . . . . 4883 1 137 . 1 1 71 71 HIS N N 15 118.062 0.250 . 1 . . . . . . . . 4883 1 138 . 1 1 71 71 HIS H H 1 7.898 0.030 . 1 . . . . . . . . 4883 1 139 . 1 1 72 72 SER N N 15 118.707 0.250 . 1 . . . . . . . . 4883 1 140 . 1 1 72 72 SER H H 1 8.511 0.030 . 1 . . . . . . . . 4883 1 141 . 1 1 73 73 SER N N 15 115.643 0.250 . 1 . . . . . . . . 4883 1 142 . 1 1 73 73 SER H H 1 8.196 0.030 . 1 . . . . . . . . 4883 1 143 . 1 1 74 74 ALA N N 15 126.589 0.250 . 1 . . . . . . . . 4883 1 144 . 1 1 74 74 ALA H H 1 7.865 0.030 . 1 . . . . . . . . 4883 1 145 . 1 1 75 75 ASN N N 15 113.597 0.250 . 1 . . . . . . . . 4883 1 146 . 1 1 75 75 ASN H H 1 8.496 0.030 . 1 . . . . . . . . 4883 1 147 . 1 1 76 76 ALA N N 15 119.889 0.250 . 1 . . . . . . . . 4883 1 148 . 1 1 76 76 ALA H H 1 8.522 0.030 . 1 . . . . . . . . 4883 1 149 . 1 1 77 77 CYS N N 15 111.179 0.250 . 1 . . . . . . . . 4883 1 150 . 1 1 77 77 CYS H H 1 8.926 0.030 . 1 . . . . . . . . 4883 1 151 . 1 1 78 78 ASN N N 15 120.159 0.250 . 1 . . . . . . . . 4883 1 152 . 1 1 78 78 ASN H H 1 7.944 0.030 . 1 . . . . . . . . 4883 1 153 . 1 1 79 79 ILE N N 15 121.224 0.250 . 1 . . . . . . . . 4883 1 154 . 1 1 79 79 ILE H H 1 9.265 0.030 . 1 . . . . . . . . 4883 1 155 . 1 1 80 80 MET N N 15 123.033 0.250 . 1 . . . . . . . . 4883 1 156 . 1 1 80 80 MET H H 1 7.717 0.030 . 1 . . . . . . . . 4883 1 157 . 1 1 81 81 CYS N N 15 121.753 0.250 . 1 . . . . . . . . 4883 1 158 . 1 1 81 81 CYS H H 1 8.597 0.030 . 1 . . . . . . . . 4883 1 159 . 1 1 82 82 SER N N 15 111.336 0.250 . 1 . . . . . . . . 4883 1 160 . 1 1 82 82 SER H H 1 8.197 0.030 . 1 . . . . . . . . 4883 1 161 . 1 1 84 84 PHE N N 15 121.478 0.250 . 1 . . . . . . . . 4883 1 162 . 1 1 84 84 PHE H H 1 8.236 0.030 . 1 . . . . . . . . 4883 1 163 . 1 1 85 85 LEU N N 15 113.488 0.250 . 1 . . . . . . . . 4883 1 164 . 1 1 85 85 LEU H H 1 7.025 0.030 . 1 . . . . . . . . 4883 1 165 . 1 1 86 86 ASP N N 15 119.444 0.250 . 1 . . . . . . . . 4883 1 166 . 1 1 86 86 ASP H H 1 7.415 0.030 . 1 . . . . . . . . 4883 1 167 . 1 1 87 87 ASP N N 15 114.388 0.250 . 1 . . . . . . . . 4883 1 168 . 1 1 87 87 ASP H H 1 7.835 0.030 . 1 . . . . . . . . 4883 1 169 . 1 1 88 88 ASN N N 15 115.773 0.250 . 1 . . . . . . . . 4883 1 170 . 1 1 88 88 ASN H H 1 7.195 0.030 . 1 . . . . . . . . 4883 1 171 . 1 1 89 89 ILE N N 15 120.810 0.250 . 1 . . . . . . . . 4883 1 172 . 1 1 89 89 ILE H H 1 9.164 0.030 . 1 . . . . . . . . 4883 1 173 . 1 1 90 90 ASP N N 15 123.840 0.250 . 1 . . . . . . . . 4883 1 174 . 1 1 90 90 ASP H H 1 8.574 0.030 . 1 . . . . . . . . 4883 1 175 . 1 1 91 91 ASP N N 15 120.805 0.250 . 1 . . . . . . . . 4883 1 176 . 1 1 91 91 ASP H H 1 8.485 0.030 . 1 . . . . . . . . 4883 1 177 . 1 1 92 92 ASP N N 15 119.367 0.250 . 1 . . . . . . . . 4883 1 178 . 1 1 92 92 ASP H H 1 9.591 0.030 . 1 . . . . . . . . 4883 1 179 . 1 1 93 93 ILE N N 15 117.856 0.250 . 1 . . . . . . . . 4883 1 180 . 1 1 93 93 ILE H H 1 8.902 0.030 . 1 . . . . . . . . 4883 1 181 . 1 1 94 94 ALA N N 15 121.105 0.250 . 1 . . . . . . . . 4883 1 182 . 1 1 94 94 ALA H H 1 7.681 0.030 . 1 . . . . . . . . 4883 1 183 . 1 1 95 95 CYS N N 15 115.594 0.250 . 1 . . . . . . . . 4883 1 184 . 1 1 95 95 CYS H H 1 8.108 0.030 . 1 . . . . . . . . 4883 1 185 . 1 1 96 96 ALA N N 15 123.760 0.250 . 1 . . . . . . . . 4883 1 186 . 1 1 96 96 ALA H H 1 8.717 0.030 . 1 . . . . . . . . 4883 1 187 . 1 1 97 97 LYS N N 15 113.260 0.250 . 1 . . . . . . . . 4883 1 188 . 1 1 97 97 LYS H H 1 7.843 0.030 . 1 . . . . . . . . 4883 1 189 . 1 1 98 98 ARG N N 15 117.327 0.250 . 1 . . . . . . . . 4883 1 190 . 1 1 98 98 ARG H H 1 7.077 0.030 . 1 . . . . . . . . 4883 1 191 . 1 1 99 99 VAL N N 15 122.830 0.250 . 1 . . . . . . . . 4883 1 192 . 1 1 99 99 VAL H H 1 8.220 0.030 . 1 . . . . . . . . 4883 1 193 . 1 1 100 100 VAL N N 15 112.688 0.250 . 1 . . . . . . . . 4883 1 194 . 1 1 100 100 VAL H H 1 7.250 0.030 . 1 . . . . . . . . 4883 1 195 . 1 1 101 101 LYS N N 15 116.331 0.250 . 1 . . . . . . . . 4883 1 196 . 1 1 101 101 LYS H H 1 6.964 0.030 . 1 . . . . . . . . 4883 1 197 . 1 1 102 102 ASP N N 15 120.996 0.250 . 1 . . . . . . . . 4883 1 198 . 1 1 102 102 ASP H H 1 7.302 0.030 . 1 . . . . . . . . 4883 1 199 . 1 1 104 104 ASN N N 15 112.693 0.250 . 1 . . . . . . . . 4883 1 200 . 1 1 104 104 ASN H H 1 8.397 0.030 . 1 . . . . . . . . 4883 1 201 . 1 1 105 105 GLY N N 15 109.765 0.250 . 1 . . . . . . . . 4883 1 202 . 1 1 105 105 GLY H H 1 8.292 0.030 . 1 . . . . . . . . 4883 1 203 . 1 1 106 106 MET N N 15 122.245 0.250 . 1 . . . . . . . . 4883 1 204 . 1 1 106 106 MET H H 1 7.316 0.030 . 1 . . . . . . . . 4883 1 205 . 1 1 107 107 SER N N 15 112.662 0.250 . 1 . . . . . . . . 4883 1 206 . 1 1 107 107 SER H H 1 7.839 0.030 . 1 . . . . . . . . 4883 1 207 . 1 1 108 108 ALA N N 15 120.858 0.250 . 1 . . . . . . . . 4883 1 208 . 1 1 108 108 ALA H H 1 6.662 0.030 . 1 . . . . . . . . 4883 1 209 . 1 1 109 109 TRP N N 15 117.951 0.250 . 1 . . . . . . . . 4883 1 210 . 1 1 109 109 TRP H H 1 7.984 0.030 . 1 . . . . . . . . 4883 1 211 . 1 1 110 110 VAL N N 15 127.036 0.250 . 1 . . . . . . . . 4883 1 212 . 1 1 110 110 VAL H H 1 8.973 0.030 . 1 . . . . . . . . 4883 1 213 . 1 1 111 111 ALA N N 15 119.286 0.250 . 1 . . . . . . . . 4883 1 214 . 1 1 111 111 ALA H H 1 8.162 0.030 . 1 . . . . . . . . 4883 1 215 . 1 1 112 112 TRP N N 15 116.394 0.250 . 1 . . . . . . . . 4883 1 216 . 1 1 112 112 TRP H H 1 7.531 0.030 . 1 . . . . . . . . 4883 1 217 . 1 1 113 113 VAL N N 15 122.937 0.250 . 1 . . . . . . . . 4883 1 218 . 1 1 113 113 VAL H H 1 7.915 0.030 . 1 . . . . . . . . 4883 1 219 . 1 1 114 114 LYS N N 15 114.091 0.250 . 1 . . . . . . . . 4883 1 220 . 1 1 114 114 LYS H H 1 7.748 0.030 . 1 . . . . . . . . 4883 1 221 . 1 1 115 115 HIS N N 15 110.264 0.250 . 1 . . . . . . . . 4883 1 222 . 1 1 115 115 HIS H H 1 7.309 0.030 . 1 . . . . . . . . 4883 1 223 . 1 1 116 116 CYS N N 15 114.917 0.250 . 1 . . . . . . . . 4883 1 224 . 1 1 116 116 CYS H H 1 7.493 0.030 . 1 . . . . . . . . 4883 1 225 . 1 1 117 117 LYS N N 15 121.206 0.250 . 1 . . . . . . . . 4883 1 226 . 1 1 117 117 LYS H H 1 6.724 0.030 . 1 . . . . . . . . 4883 1 227 . 1 1 118 118 GLY N N 15 114.217 0.250 . 1 . . . . . . . . 4883 1 228 . 1 1 118 118 GLY H H 1 8.681 0.030 . 1 . . . . . . . . 4883 1 229 . 1 1 119 119 LYS N N 15 119.286 0.250 . 1 . . . . . . . . 4883 1 230 . 1 1 119 119 LYS H H 1 7.211 0.030 . 1 . . . . . . . . 4883 1 231 . 1 1 120 120 ASP N N 15 118.999 0.250 . 1 . . . . . . . . 4883 1 232 . 1 1 120 120 ASP H H 1 8.470 0.030 . 1 . . . . . . . . 4883 1 233 . 1 1 121 121 LEU N N 15 129.355 0.250 . 1 . . . . . . . . 4883 1 234 . 1 1 121 121 LEU H H 1 8.792 0.030 . 1 . . . . . . . . 4883 1 235 . 1 1 122 122 SER N N 15 118.966 0.250 . 1 . . . . . . . . 4883 1 236 . 1 1 122 122 SER H H 1 8.709 0.030 . 1 . . . . . . . . 4883 1 237 . 1 1 123 123 LYS N N 15 119.159 0.250 . 1 . . . . . . . . 4883 1 238 . 1 1 123 123 LYS H H 1 8.656 0.030 . 1 . . . . . . . . 4883 1 239 . 1 1 124 124 TYR N N 15 124.685 0.250 . 1 . . . . . . . . 4883 1 240 . 1 1 124 124 TYR H H 1 7.589 0.030 . 1 . . . . . . . . 4883 1 241 . 1 1 125 125 LEU N N 15 114.388 0.250 . 1 . . . . . . . . 4883 1 242 . 1 1 125 125 LEU H H 1 8.933 0.030 . 1 . . . . . . . . 4883 1 243 . 1 1 126 126 ALA N N 15 124.584 0.250 . 1 . . . . . . . . 4883 1 244 . 1 1 126 126 ALA H H 1 7.330 0.030 . 1 . . . . . . . . 4883 1 245 . 1 1 127 127 SER N N 15 111.138 0.250 . 1 . . . . . . . . 4883 1 246 . 1 1 127 127 SER H H 1 8.556 0.030 . 1 . . . . . . . . 4883 1 247 . 1 1 128 128 CYS N N 15 117.233 0.250 . 1 . . . . . . . . 4883 1 248 . 1 1 128 128 CYS H H 1 7.685 0.030 . 1 . . . . . . . . 4883 1 249 . 1 1 129 129 ASN N N 15 118.523 0.250 . 1 . . . . . . . . 4883 1 250 . 1 1 129 129 ASN H H 1 8.227 0.030 . 1 . . . . . . . . 4883 1 251 . 1 1 130 130 LEU N N 15 125.559 0.250 . 1 . . . . . . . . 4883 1 252 . 1 1 130 130 LEU H H 1 7.828 0.030 . 1 . . . . . . . . 4883 1 stop_ save_