################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25553 _Assigned_chem_shift_list.ID 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 $chemical_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 '15N IPAP-HSQC' 1 $sample_1 isotropic 25553 1 2 '15N IPAP-HSQC' 2 $sample_2 anisotropic 25553 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 1 1 MET H H 1 8.647 . . 1 . . . A 1 MET H . 25553 1 2 . 1 1 1 1 MET N N 15 125.399 . . 1 . . . A 1 MET N . 25553 1 3 . 1 1 2 2 SER H H 1 8.456 . . 1 . . . A 2 SER H . 25553 1 4 . 1 1 2 2 SER CA C 13 58.536 . . 1 . . . A 2 SER CA . 25553 1 5 . 1 1 2 2 SER N N 15 116.497 . . 1 . . . A 2 SER N . 25553 1 6 . 1 1 3 3 ASP H H 1 8.291 . . 1 . . . A 3 ASP H . 25553 1 7 . 1 1 3 3 ASP N N 15 122.166 . . 1 . . . A 3 ASP N . 25553 1 8 . 1 1 4 4 GLN H H 1 8.250 . . 1 . . . A 4 GLN H . 25553 1 9 . 1 1 4 4 GLN N N 15 119.634 . . 1 . . . A 4 GLN N . 25553 1 10 . 1 1 5 5 GLU H H 1 8.278 . . 1 . . . A 5 GLU H . 25553 1 11 . 1 1 5 5 GLU N N 15 121.555 . . 1 . . . A 5 GLU N . 25553 1 12 . 1 1 6 6 ALA H H 1 8.300 . . 1 . . . A 6 ALA H . 25553 1 13 . 1 1 6 6 ALA N N 15 125.392 . . 1 . . . A 6 ALA N . 25553 1 14 . 1 1 7 7 LYS H H 1 8.345 . . 1 . . . A 7 LYS H . 25553 1 15 . 1 1 7 7 LYS CA C 13 61.997 . . 1 . . . A 7 LYS CA . 25553 1 16 . 1 1 7 7 LYS CB C 13 69.572 . . 1 . . . A 7 LYS CB . 25553 1 17 . 1 1 7 7 LYS N N 15 122.249 . . 1 . . . A 7 LYS N . 25553 1 18 . 1 1 9 9 SER H H 1 8.648 . . 1 . . . A 9 SER H . 25553 1 19 . 1 1 9 9 SER N N 15 116.955 . . 1 . . . A 9 SER N . 25553 1 20 . 1 1 10 10 THR H H 1 8.306 . . 1 . . . A 10 THR H . 25553 1 21 . 1 1 10 10 THR N N 15 115.893 . . 1 . . . A 10 THR N . 25553 1 22 . 1 1 11 11 GLU H H 1 7.801 . . 1 . . . A 11 GLU H . 25553 1 23 . 1 1 11 11 GLU CA C 13 64.005 . . 1 . . . A 11 GLU CA . 25553 1 24 . 1 1 11 11 GLU CB C 13 33.299 . . 1 . . . A 11 GLU CB . 25553 1 25 . 1 1 11 11 GLU N N 15 125.995 . . 1 . . . A 11 GLU N . 25553 1 26 . 1 1 12 12 ASP H H 1 8.413 . . 1 . . . A 12 ASP H . 25553 1 27 . 1 1 12 12 ASP CA C 13 54.261 . . 1 . . . A 12 ASP CA . 25553 1 28 . 1 1 12 12 ASP CB C 13 41.184 . . 1 . . . A 12 ASP CB . 25553 1 29 . 1 1 12 12 ASP N N 15 122.112 . . 1 . . . A 12 ASP N . 25553 1 30 . 1 1 13 13 LEU H H 1 8.448 . . 1 . . . A 13 LEU H . 25553 1 31 . 1 1 13 13 LEU CA C 13 55.626 . . 1 . . . A 13 LEU CA . 25553 1 32 . 1 1 13 13 LEU CB C 13 41.909 . . 1 . . . A 13 LEU CB . 25553 1 33 . 1 1 13 13 LEU N N 15 123.821 . . 1 . . . A 13 LEU N . 25553 1 34 . 1 1 14 14 GLY H H 1 8.486 . . 1 . . . A 14 GLY H . 25553 1 35 . 1 1 14 14 GLY N N 15 109.007 . . 1 . . . A 14 GLY N . 25553 1 36 . 1 1 15 15 ASP H H 1 8.241 . . 1 . . . A 15 ASP H . 25553 1 37 . 1 1 15 15 ASP N N 15 120.475 . . 1 . . . A 15 ASP N . 25553 1 38 . 1 1 16 16 LYS H H 1 8.341 . . 1 . . . A 16 LYS H . 25553 1 39 . 1 1 16 16 LYS N N 15 121.239 . . 1 . . . A 16 LYS N . 25553 1 40 . 1 1 17 17 LYS H H 1 8.364 . . 1 . . . A 17 LYS H . 25553 1 41 . 1 1 17 17 LYS N N 15 121.961 . . 1 . . . A 17 LYS N . 25553 1 42 . 1 1 18 18 GLU H H 1 8.552 . . 1 . . . A 18 GLU H . 25553 1 43 . 1 1 18 18 GLU N N 15 121.945 . . 1 . . . A 18 GLU N . 25553 1 44 . 1 1 19 19 GLY H H 1 8.496 . . 1 . . . A 19 GLY H . 25553 1 45 . 1 1 19 19 GLY N N 15 109.685 . . 1 . . . A 19 GLY N . 25553 1 46 . 1 1 20 20 GLU H H 1 8.243 . . 1 . . . A 20 GLU H . 25553 1 47 . 1 1 20 20 GLU N N 15 119.405 . . 1 . . . A 20 GLU N . 25553 1 48 . 1 1 21 21 TYR H H 1 8.445 . . 1 . . . A 21 TYR H . 25553 1 49 . 1 1 21 21 TYR N N 15 119.454 . . 1 . . . A 21 TYR N . 25553 1 50 . 1 1 22 22 ILE H H 1 9.150 . . 1 . . . A 22 ILE H . 25553 1 51 . 1 1 22 22 ILE N N 15 116.473 . . 1 . . . A 22 ILE N . 25553 1 52 . 1 1 23 23 LYS H H 1 8.681 . . 1 . . . A 23 LYS H . 25553 1 53 . 1 1 23 23 LYS N N 15 124.373 . . 1 . . . A 23 LYS N . 25553 1 54 . 1 1 24 24 LEU H H 1 8.972 . . 1 . . . A 24 LEU H . 25553 1 55 . 1 1 24 24 LEU N N 15 124.469 . . 1 . . . A 24 LEU N . 25553 1 56 . 1 1 25 25 LYS H H 1 8.693 . . 1 . . . A 25 LYS H . 25553 1 57 . 1 1 25 25 LYS N N 15 120.713 . . 1 . . . A 25 LYS N . 25553 1 58 . 1 1 26 26 VAL H H 1 9.109 . . 1 . . . A 26 VAL H . 25553 1 59 . 1 1 26 26 VAL N N 15 124.266 . . 1 . . . A 26 VAL N . 25553 1 60 . 1 1 27 27 ILE H H 1 9.182 . . 1 . . . A 27 ILE H . 25553 1 61 . 1 1 27 27 ILE N N 15 127.219 . . 1 . . . A 27 ILE N . 25553 1 62 . 1 1 28 28 GLY H H 1 8.474 . . 1 . . . A 28 GLY H . 25553 1 63 . 1 1 28 28 GLY N N 15 113.517 . . 1 . . . A 28 GLY N . 25553 1 64 . 1 1 29 29 GLN H H 1 8.777 . . 1 . . . A 29 GLN H . 25553 1 65 . 1 1 29 29 GLN N N 15 120.402 . . 1 . . . A 29 GLN N . 25553 1 66 . 1 1 30 30 ASP H H 1 8.395 . . 1 . . . A 30 ASP H . 25553 1 67 . 1 1 30 30 ASP N N 15 118.456 . . 1 . . . A 30 ASP N . 25553 1 68 . 1 1 31 31 SER H H 1 8.037 . . 1 . . . A 31 SER H . 25553 1 69 . 1 1 31 31 SER N N 15 111.091 . . 1 . . . A 31 SER N . 25553 1 70 . 1 1 32 32 SER H H 1 8.129 . . 1 . . . A 32 SER H . 25553 1 71 . 1 1 32 32 SER N N 15 117.531 . . 1 . . . A 32 SER N . 25553 1 72 . 1 1 33 33 GLU H H 1 8.646 . . 1 . . . A 33 GLU H . 25553 1 73 . 1 1 33 33 GLU N N 15 121.992 . . 1 . . . A 33 GLU N . 25553 1 74 . 1 1 34 34 ILE H H 1 8.752 . . 1 . . . A 34 ILE H . 25553 1 75 . 1 1 34 34 ILE N N 15 124.429 . . 1 . . . A 34 ILE N . 25553 1 76 . 1 1 35 35 HIS H H 1 8.724 . . 1 . . . A 35 HIS H . 25553 1 77 . 1 1 35 35 HIS N N 15 126.008 . . 1 . . . A 35 HIS N . 25553 1 78 . 1 1 36 36 PHE H H 1 9.152 . . 1 . . . A 36 PHE H . 25553 1 79 . 1 1 36 36 PHE N N 15 120.095 . . 1 . . . A 36 PHE N . 25553 1 80 . 1 1 37 37 LYS H H 1 8.828 . . 1 . . . A 37 LYS H . 25553 1 81 . 1 1 37 37 LYS N N 15 123.638 . . 1 . . . A 37 LYS N . 25553 1 82 . 1 1 38 38 VAL H H 1 9.199 . . 1 . . . A 38 VAL H . 25553 1 83 . 1 1 38 38 VAL N N 15 119.691 . . 1 . . . A 38 VAL N . 25553 1 84 . 1 1 40 40 MET H H 1 8.636 . . 1 . . . A 40 MET H . 25553 1 85 . 1 1 40 40 MET N N 15 120.339 . . 1 . . . A 40 MET N . 25553 1 86 . 1 1 41 41 THR H H 1 7.004 . . 1 . . . A 41 THR H . 25553 1 87 . 1 1 41 41 THR N N 15 130.421 . . 1 . . . A 41 THR N . 25553 1 88 . 1 1 42 42 THR H H 1 7.212 . . 1 . . . A 42 THR H . 25553 1 89 . 1 1 42 42 THR N N 15 120.469 . . 1 . . . A 42 THR N . 25553 1 90 . 1 1 43 43 HIS H H 1 8.236 . . 1 . . . A 43 HIS H . 25553 1 91 . 1 1 43 43 HIS N N 15 116.909 . . 1 . . . A 43 HIS N . 25553 1 92 . 1 1 44 44 LEU H H 1 9.373 . . 1 . . . A 44 LEU H . 25553 1 93 . 1 1 44 44 LEU N N 15 124.587 . . 1 . . . A 44 LEU N . 25553 1 94 . 1 1 45 45 LYS H H 1 8.581 . . 1 . . . A 45 LYS H . 25553 1 95 . 1 1 45 45 LYS N N 15 121.350 . . 1 . . . A 45 LYS N . 25553 1 96 . 1 1 46 46 LYS H H 1 7.447 . . 1 . . . A 46 LYS H . 25553 1 97 . 1 1 46 46 LYS N N 15 114.002 . . 1 . . . A 46 LYS N . 25553 1 98 . 1 1 47 47 LEU H H 1 6.757 . . 1 . . . A 47 LEU H . 25553 1 99 . 1 1 47 47 LEU N N 15 121.848 . . 1 . . . A 47 LEU N . 25553 1 100 . 1 1 48 48 LYS H H 1 7.641 . . 1 . . . A 48 LYS H . 25553 1 101 . 1 1 48 48 LYS N N 15 118.450 . . 1 . . . A 48 LYS N . 25553 1 102 . 1 1 49 49 GLU H H 1 8.601 . . 1 . . . A 49 GLU H . 25553 1 103 . 1 1 49 49 GLU N N 15 120.214 . . 1 . . . A 49 GLU N . 25553 1 104 . 1 1 50 50 SER H H 1 8.066 . . 1 . . . A 50 SER H . 25553 1 105 . 1 1 50 50 SER N N 15 116.063 . . 1 . . . A 50 SER N . 25553 1 106 . 1 1 51 51 TYR H H 1 8.990 . . 1 . . . A 51 TYR H . 25553 1 107 . 1 1 51 51 TYR N N 15 121.658 . . 1 . . . A 51 TYR N . 25553 1 108 . 1 1 52 52 CYS H H 1 8.454 . . 1 . . . A 52 CYS H . 25553 1 109 . 1 1 52 52 CYS N N 15 117.818 . . 1 . . . A 52 CYS N . 25553 1 110 . 1 1 53 53 GLN H H 1 8.302 . . 1 . . . A 53 GLN H . 25553 1 111 . 1 1 53 53 GLN N N 15 118.730 . . 1 . . . A 53 GLN N . 25553 1 112 . 1 1 54 54 ARG H H 1 7.984 . . 1 . . . A 54 ARG H . 25553 1 113 . 1 1 54 54 ARG N N 15 120.164 . . 1 . . . A 54 ARG N . 25553 1 114 . 1 1 55 55 GLN H H 1 7.796 . . 1 . . . A 55 GLN H . 25553 1 115 . 1 1 55 55 GLN N N 15 114.277 . . 1 . . . A 55 GLN N . 25553 1 116 . 1 1 56 56 GLY H H 1 7.927 . . 1 . . . A 56 GLY H . 25553 1 117 . 1 1 56 56 GLY N N 15 109.154 . . 1 . . . A 56 GLY N . 25553 1 118 . 1 1 57 57 VAL H H 1 7.586 . . 1 . . . A 57 VAL H . 25553 1 119 . 1 1 57 57 VAL N N 15 112.596 . . 1 . . . A 57 VAL N . 25553 1 120 . 1 1 59 59 MET H H 1 8.658 . . 1 . . . A 59 MET H . 25553 1 121 . 1 1 59 59 MET N N 15 125.439 . . 1 . . . A 59 MET N . 25553 1 122 . 1 1 60 60 ASN H H 1 8.644 . . 1 . . . A 60 ASN H . 25553 1 123 . 1 1 60 60 ASN N N 15 113.488 . . 1 . . . A 60 ASN N . 25553 1 124 . 1 1 61 61 SER H H 1 7.972 . . 1 . . . A 61 SER H . 25553 1 125 . 1 1 61 61 SER N N 15 114.354 . . 1 . . . A 61 SER N . 25553 1 126 . 1 1 62 62 LEU H H 1 7.500 . . 1 . . . A 62 LEU H . 25553 1 127 . 1 1 62 62 LEU N N 15 121.938 . . 1 . . . A 62 LEU N . 25553 1 128 . 1 1 63 63 ARG H H 1 8.989 . . 1 . . . A 63 ARG H . 25553 1 129 . 1 1 63 63 ARG N N 15 121.523 . . 1 . . . A 63 ARG N . 25553 1 130 . 1 1 64 64 PHE H H 1 8.922 . . 1 . . . A 64 PHE H . 25553 1 131 . 1 1 64 64 PHE N N 15 123.031 . . 1 . . . A 64 PHE N . 25553 1 132 . 1 1 65 65 LEU H H 1 9.765 . . 1 . . . A 65 LEU H . 25553 1 133 . 1 1 65 65 LEU CA C 13 53.268 . . 1 . . . A 65 LEU CA . 25553 1 134 . 1 1 65 65 LEU N N 15 124.233 . . 1 . . . A 65 LEU N . 25553 1 135 . 1 1 66 66 PHE H H 1 8.992 . . 1 . . . A 66 PHE H . 25553 1 136 . 1 1 66 66 PHE N N 15 119.418 . . 1 . . . A 66 PHE N . 25553 1 137 . 1 1 67 67 GLU H H 1 9.421 . . 1 . . . A 67 GLU H . 25553 1 138 . 1 1 67 67 GLU N N 15 129.229 . . 1 . . . A 67 GLU N . 25553 1 139 . 1 1 68 68 GLY H H 1 8.901 . . 1 . . . A 68 GLY H . 25553 1 140 . 1 1 68 68 GLY N N 15 133.446 . . 1 . . . A 68 GLY N . 25553 1 141 . 1 1 69 69 GLN H H 1 8.026 . . 1 . . . A 69 GLN H . 25553 1 142 . 1 1 69 69 GLN N N 15 120.668 . . 1 . . . A 69 GLN N . 25553 1 143 . 1 1 70 70 ARG H H 1 8.842 . . 1 . . . A 70 ARG H . 25553 1 144 . 1 1 70 70 ARG N N 15 124.718 . . 1 . . . A 70 ARG N . 25553 1 145 . 1 1 71 71 ILE H H 1 8.943 . . 1 . . . A 71 ILE H . 25553 1 146 . 1 1 71 71 ILE N N 15 126.632 . . 1 . . . A 71 ILE N . 25553 1 147 . 1 1 72 72 ALA H H 1 11.082 . . 1 . . . A 72 ALA H . 25553 1 148 . 1 1 72 72 ALA N N 15 109.283 . . 1 . . . A 72 ALA N . 25553 1 149 . 1 1 73 73 ASP H H 1 8.813 . . 1 . . . A 73 ASP H . 25553 1 150 . 1 1 73 73 ASP N N 15 120.436 . . 1 . . . A 73 ASP N . 25553 1 151 . 1 1 74 74 ASN H H 1 7.754 . . 1 . . . A 74 ASN H . 25553 1 152 . 1 1 74 74 ASN N N 15 109.502 . . 1 . . . A 74 ASN N . 25553 1 153 . 1 1 75 75 HIS H H 1 7.152 . . 1 . . . A 75 HIS H . 25553 1 154 . 1 1 75 75 HIS CB C 13 33.557 . . 1 . . . A 75 HIS CB . 25553 1 155 . 1 1 75 75 HIS N N 15 119.774 . . 1 . . . A 75 HIS N . 25553 1 156 . 1 1 76 76 THR H H 1 7.353 . . 1 . . . A 76 THR H . 25553 1 157 . 1 1 76 76 THR CA C 13 57.529 . . 1 . . . A 76 THR CA . 25553 1 158 . 1 1 76 76 THR N N 15 108.335 . . 1 . . . A 76 THR N . 25553 1 159 . 1 1 78 78 LYS H H 1 8.118 . . 1 . . . A 78 LYS H . 25553 1 160 . 1 1 78 78 LYS N N 15 115.350 . . 1 . . . A 78 LYS N . 25553 1 161 . 1 1 79 79 GLU H H 1 7.980 . . 1 . . . A 79 GLU H . 25553 1 162 . 1 1 79 79 GLU CB C 13 36.135 . . 1 . . . A 79 GLU CB . 25553 1 163 . 1 1 79 79 GLU N N 15 120.853 . . 1 . . . A 79 GLU N . 25553 1 164 . 1 1 80 80 LEU H H 1 7.488 . . 1 . . . A 80 LEU H . 25553 1 165 . 1 1 80 80 LEU N N 15 115.048 . . 1 . . . A 80 LEU N . 25553 1 166 . 1 1 81 81 GLY H H 1 7.680 . . 1 . . . A 81 GLY H . 25553 1 167 . 1 1 81 81 GLY N N 15 108.185 . . 1 . . . A 81 GLY N . 25553 1 168 . 1 1 82 82 MET H H 1 7.679 . . 1 . . . A 82 MET H . 25553 1 169 . 1 1 82 82 MET N N 15 117.789 . . 1 . . . A 82 MET N . 25553 1 170 . 1 1 83 83 GLU H H 1 9.294 . . 1 . . . A 83 GLU H . 25553 1 171 . 1 1 83 83 GLU N N 15 120.994 . . 1 . . . A 83 GLU N . 25553 1 172 . 1 1 84 84 GLU H H 1 8.338 . . 1 . . . A 84 GLU H . 25553 1 173 . 1 1 84 84 GLU N N 15 119.709 . . 1 . . . A 84 GLU N . 25553 1 174 . 1 1 85 85 GLU H H 1 9.389 . . 1 . . . A 85 GLU H . 25553 1 175 . 1 1 85 85 GLU CA C 13 58.580 . . 1 . . . A 85 GLU CA . 25553 1 176 . 1 1 85 85 GLU N N 15 118.776 . . 1 . . . A 85 GLU N . 25553 1 177 . 1 1 86 86 ASP H H 1 7.977 . . 1 . . . A 86 ASP H . 25553 1 178 . 1 1 86 86 ASP N N 15 120.870 . . 1 . . . A 86 ASP N . 25553 1 179 . 1 1 87 87 VAL H H 1 8.397 . . 1 . . . A 87 VAL H . 25553 1 180 . 1 1 87 87 VAL N N 15 114.496 . . 1 . . . A 87 VAL N . 25553 1 181 . 1 1 88 88 ILE H H 1 9.225 . . 1 . . . A 88 ILE H . 25553 1 182 . 1 1 88 88 ILE N N 15 127.112 . . 1 . . . A 88 ILE N . 25553 1 183 . 1 1 89 89 GLU H H 1 8.864 . . 1 . . . A 89 GLU H . 25553 1 184 . 1 1 89 89 GLU N N 15 125.965 . . 1 . . . A 89 GLU N . 25553 1 185 . 1 1 90 90 VAL H H 1 7.891 . . 1 . . . A 90 VAL H . 25553 1 186 . 1 1 90 90 VAL N N 15 120.387 . . 1 . . . A 90 VAL N . 25553 1 187 . 1 1 92 92 GLN H H 1 8.765 . . 1 . . . A 92 GLN H . 25553 1 188 . 1 1 92 92 GLN N N 15 120.844 . . 1 . . . A 92 GLN N . 25553 1 189 . 1 1 93 93 GLU H H 1 8.647 . . 1 . . . A 93 GLU H . 25553 1 190 . 1 1 93 93 GLU N N 15 125.444 . . 1 . . . A 93 GLU N . 25553 1 191 . 1 1 94 94 GLN H H 1 8.817 . . 1 . . . A 94 GLN H . 25553 1 192 . 1 1 94 94 GLN N N 15 122.909 . . 1 . . . A 94 GLN N . 25553 1 193 . 1 1 95 95 THR H H 1 8.445 . . 1 . . . A 95 THR H . 25553 1 194 . 1 1 95 95 THR N N 15 115.903 . . 1 . . . A 95 THR N . 25553 1 195 . 1 1 96 96 GLY H H 1 8.561 . . 1 . . . A 96 GLY H . 25553 1 196 . 1 1 96 96 GLY N N 15 111.388 . . 1 . . . A 96 GLY N . 25553 1 197 . 1 1 97 97 HIS H H 1 8.355 . . 1 . . . A 97 HIS HN . 25553 1 198 . 1 1 97 97 HIS N N 15 108.599 . . 1 . . . A 97 HIS N . 25553 1 stop_ save_