################################### # 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 54027 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'BsNusG CTD Assigned Chemical Shifts' _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 HMQC' . . . 54027 1 2 '3D 1H-15N TOCSY' . . . 54027 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 . . 54027 1 2 $software_2 . . 54027 1 3 $software_3 . . 54027 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 4 4 ILE H H 1 7.798 1 . 1 . . . . . 122 ILE HN . 54027 1 2 . 1 . 1 4 4 ILE HA H 1 4.063 1 . 1 . . . . . 122 ILE HA . 54027 1 3 . 1 . 1 4 4 ILE HB H 1 1.66 1 . 1 . . . . . 122 ILE HB . 54027 1 4 . 1 . 1 4 4 ILE HD11 H 1 0.589 1 . 1 . . . . . 122 ILE QD1 . 54027 1 5 . 1 . 1 4 4 ILE HD12 H 1 0.589 1 . 1 . . . . . 122 ILE QD1 . 54027 1 6 . 1 . 1 4 4 ILE HD13 H 1 0.589 1 . 1 . . . . . 122 ILE QD1 . 54027 1 7 . 1 . 1 4 4 ILE N N 15 118.61 1 . 1 . . . . . 122 ILE N . 54027 1 8 . 1 . 1 5 5 ASP H H 1 8.047 1 . 1 . . . . . 123 ASP HN . 54027 1 9 . 1 . 1 5 5 ASP HA H 1 4.548 1 . 1 . . . . . 123 ASP HA . 54027 1 10 . 1 . 1 5 5 ASP HB2 H 1 2.398 1 . 1 . . . . . 123 ASP HB2 . 54027 1 11 . 1 . 1 5 5 ASP HB3 H 1 2.278 1 . 1 . . . . . 123 ASP HB3 . 54027 1 12 . 1 . 1 5 5 ASP N N 15 124.241 1 . 1 . . . . . 123 ASP N . 54027 1 13 . 1 . 1 6 6 PHE H H 1 7.476 1 . 1 . . . . . 124 PHE HN . 54027 1 14 . 1 . 1 6 6 PHE HA H 1 4.971 1 . 1 . . . . . 124 PHE HA . 54027 1 15 . 1 . 1 6 6 PHE HB2 H 1 2.748 1 . 1 . . . . . 124 PHE HB2 . 54027 1 16 . 1 . 1 6 6 PHE HB3 H 1 2.113 1 . 1 . . . . . 124 PHE HB3 . 54027 1 17 . 1 . 1 6 6 PHE N N 15 117.951 1 . 1 . . . . . 124 PHE N . 54027 1 18 . 1 . 1 7 7 GLU H H 1 8.647 1 . 1 . . . . . 125 GLU HN . 54027 1 19 . 1 . 1 7 7 GLU HA H 1 4.601 1 . 1 . . . . . 125 GLU HA . 54027 1 20 . 1 . 1 7 7 GLU HB2 H 1 1.994 1 . 1 . . . . . 125 GLU HB2 . 54027 1 21 . 1 . 1 7 7 GLU HB3 H 1 1.8 1 . 1 . . . . . 125 GLU HB3 . 54027 1 22 . 1 . 1 7 7 GLU HG2 H 1 2.191 1 . 1 . . . . . 125 GLU HG2 . 54027 1 23 . 1 . 1 7 7 GLU N N 15 119.213 1 . 1 . . . . . 125 GLU N . 54027 1 24 . 1 . 1 8 8 LEU H H 1 8.404 1 . 1 . . . . . 126 LEU HN . 54027 1 25 . 1 . 1 8 8 LEU HA H 1 3.66 1 . 1 . . . . . 126 LEU HA . 54027 1 26 . 1 . 1 8 8 LEU HB2 H 1 1.616 1 . 1 . . . . . 126 LEU HB2 . 54027 1 27 . 1 . 1 8 8 LEU HG H 1 1.346 1 . 1 . . . . . 126 LEU HG . 54027 1 28 . 1 . 1 8 8 LEU HD11 H 1 0.877 1 . 1 . . . . . 126 LEU QD1 . 54027 1 29 . 1 . 1 8 8 LEU HD12 H 1 0.877 1 . 1 . . . . . 126 LEU QD1 . 54027 1 30 . 1 . 1 8 8 LEU HD13 H 1 0.877 1 . 1 . . . . . 126 LEU QD1 . 54027 1 31 . 1 . 1 8 8 LEU HD21 H 1 0.738 1 . 1 . . . . . 126 LEU QD2 . 54027 1 32 . 1 . 1 8 8 LEU HD22 H 1 0.738 1 . 1 . . . . . 126 LEU QD2 . 54027 1 33 . 1 . 1 8 8 LEU HD23 H 1 0.738 1 . 1 . . . . . 126 LEU QD2 . 54027 1 34 . 1 . 1 8 8 LEU N N 15 120.095 1 . 1 . . . . . 126 LEU N . 54027 1 35 . 1 . 1 9 9 LYS H H 1 9.166 1 . 1 . . . . . 127 LYS HN . 54027 1 36 . 1 . 1 9 9 LYS HA H 1 3.669 1 . 1 . . . . . 127 LYS HA . 54027 1 37 . 1 . 1 9 9 LYS HB2 H 1 1.927 1 . 1 . . . . . 127 LYS HB2 . 54027 1 38 . 1 . 1 9 9 LYS HG2 H 1 1.27 1 . 1 . . . . . 127 LYS HG2 . 54027 1 39 . 1 . 1 9 9 LYS HE2 H 1 2.899 1 . 1 . . . . . 127 LYS HE2 . 54027 1 40 . 1 . 1 9 9 LYS N N 15 115.737 1 . 1 . . . . . 127 LYS N . 54027 1 41 . 1 . 1 10 10 GLU H H 1 7.771 1 . 1 . . . . . 128 GLU HN . 54027 1 42 . 1 . 1 10 10 GLU HA H 1 4.144 1 . 1 . . . . . 128 GLU HA . 54027 1 43 . 1 . 1 10 10 GLU HB2 H 1 2.181 1 . 1 . . . . . 128 GLU HB2 . 54027 1 44 . 1 . 1 10 10 GLU HG2 H 1 2.335 1 . 1 . . . . . 128 GLU HG2 . 54027 1 45 . 1 . 1 10 10 GLU N N 15 123.148 1 . 1 . . . . . 128 GLU N . 54027 1 46 . 1 . 1 12 12 VAL H H 1 9.125 1 . 1 . . . . . 130 VAL HN . 54027 1 47 . 1 . 1 12 12 VAL HA H 1 4.784 1 . 1 . . . . . 130 VAL HA . 54027 1 48 . 1 . 1 12 12 VAL HB H 1 2.293 1 . 1 . . . . . 130 VAL HB . 54027 1 49 . 1 . 1 12 12 VAL HG11 H 1 0.412 1 . 1 . . . . . 130 VAL QG1 . 54027 1 50 . 1 . 1 12 12 VAL HG12 H 1 0.412 1 . 1 . . . . . 130 VAL QG1 . 54027 1 51 . 1 . 1 12 12 VAL HG13 H 1 0.412 1 . 1 . . . . . 130 VAL QG1 . 54027 1 52 . 1 . 1 12 12 VAL HG21 H 1 0.424 1 . 1 . . . . . 130 VAL QG2 . 54027 1 53 . 1 . 1 12 12 VAL HG22 H 1 0.424 1 . 1 . . . . . 130 VAL QG2 . 54027 1 54 . 1 . 1 12 12 VAL HG23 H 1 0.424 1 . 1 . . . . . 130 VAL QG2 . 54027 1 55 . 1 . 1 12 12 VAL N N 15 119.56 1 . 1 . . . . . 130 VAL N . 54027 1 56 . 1 . 1 13 13 LYS H H 1 8.543 1 . 1 . . . . . 131 LYS HN . 54027 1 57 . 1 . 1 13 13 LYS HA H 1 4.677 1 . 1 . . . . . 131 LYS HA . 54027 1 58 . 1 . 1 13 13 LYS HB2 H 1 1.572 1 . 1 . . . . . 131 LYS HB2 . 54027 1 59 . 1 . 1 13 13 LYS HB3 H 1 1.452 1 . 1 . . . . . 131 LYS HB3 . 54027 1 60 . 1 . 1 13 13 LYS HG2 H 1 1.207 1 . 1 . . . . . 131 LYS HG2 . 54027 1 61 . 1 . 1 13 13 LYS HE2 H 1 2.854 1 . 1 . . . . . 131 LYS HE2 . 54027 1 62 . 1 . 1 13 13 LYS N N 15 118.282 1 . 1 . . . . . 131 LYS N . 54027 1 63 . 1 . 1 14 14 VAL H H 1 8.626 1 . 1 . . . . . 132 VAL HN . 54027 1 64 . 1 . 1 14 14 VAL HA H 1 4.259 1 . 1 . . . . . 132 VAL HA . 54027 1 65 . 1 . 1 14 14 VAL HB H 1 2.381 1 . 1 . . . . . 132 VAL HB . 54027 1 66 . 1 . 1 14 14 VAL HG11 H 1 0.969 1 . 1 . . . . . 132 VAL QG1 . 54027 1 67 . 1 . 1 14 14 VAL HG12 H 1 0.969 1 . 1 . . . . . 132 VAL QG1 . 54027 1 68 . 1 . 1 14 14 VAL HG13 H 1 0.969 1 . 1 . . . . . 132 VAL QG1 . 54027 1 69 . 1 . 1 14 14 VAL HG21 H 1 0.589 1 . 1 . . . . . 132 VAL QG2 . 54027 1 70 . 1 . 1 14 14 VAL HG22 H 1 0.589 1 . 1 . . . . . 132 VAL QG2 . 54027 1 71 . 1 . 1 14 14 VAL HG23 H 1 0.589 1 . 1 . . . . . 132 VAL QG2 . 54027 1 72 . 1 . 1 14 14 VAL N N 15 125.364 1 . 1 . . . . . 132 VAL N . 54027 1 73 . 1 . 1 15 15 ILE H H 1 8.583 1 . 1 . . . . . 133 ILE HN . 54027 1 74 . 1 . 1 15 15 ILE HA H 1 4.782 1 . 1 . . . . . 133 ILE HA . 54027 1 75 . 1 . 1 15 15 ILE HB H 1 2.171 1 . 1 . . . . . 133 ILE HB . 54027 1 76 . 1 . 1 15 15 ILE HG21 H 1 0.764 1 . 1 . . . . . 133 ILE QG2 . 54027 1 77 . 1 . 1 15 15 ILE HG22 H 1 0.764 1 . 1 . . . . . 133 ILE QG2 . 54027 1 78 . 1 . 1 15 15 ILE HG23 H 1 0.764 1 . 1 . . . . . 133 ILE QG2 . 54027 1 79 . 1 . 1 15 15 ILE N N 15 119.532 1 . 1 . . . . . 133 ILE N . 54027 1 80 . 1 . 1 16 16 ASP H H 1 7.342 1 . 1 . . . . . 134 ASP HN . 54027 1 81 . 1 . 1 16 16 ASP HA H 1 4.943 1 . 1 . . . . . 134 ASP HA . 54027 1 82 . 1 . 1 16 16 ASP HB2 H 1 2.811 1 . 1 . . . . . 134 ASP HB2 . 54027 1 83 . 1 . 1 16 16 ASP HB3 H 1 2.259 1 . 1 . . . . . 134 ASP HB3 . 54027 1 84 . 1 . 1 16 16 ASP N N 15 119.759 1 . 1 . . . . . 134 ASP N . 54027 1 85 . 1 . 1 17 17 GLY H H 1 8.109 1 . 1 . . . . . 135 GLY HN . 54027 1 86 . 1 . 1 17 17 GLY HA2 H 1 4.297 1 . 1 . . . . . 135 GLY HA1 . 54027 1 87 . 1 . 1 17 17 GLY HA3 H 1 3.805 1 . 1 . . . . . 135 GLY HA2 . 54027 1 88 . 1 . 1 17 17 GLY N N 15 108.647 1 . 1 . . . . . 135 GLY N . 54027 1 89 . 1 . 1 19 19 PHE H H 1 8.962 1 . 1 . . . . . 137 PHE HN . 54027 1 90 . 1 . 1 19 19 PHE HA H 1 4.514 1 . 1 . . . . . 137 PHE HA . 54027 1 91 . 1 . 1 19 19 PHE HB2 H 1 3.212 1 . 1 . . . . . 137 PHE HB2 . 54027 1 92 . 1 . 1 19 19 PHE HB3 H 1 2.937 1 . 1 . . . . . 137 PHE HB3 . 54027 1 93 . 1 . 1 19 19 PHE N N 15 116.623 1 . 1 . . . . . 137 PHE N . 54027 1 94 . 1 . 1 20 20 ALA H H 1 7.411 1 . 1 . . . . . 138 ALA HN . 54027 1 95 . 1 . 1 20 20 ALA HA H 1 3.502 1 . 1 . . . . . 138 ALA HA . 54027 1 96 . 1 . 1 20 20 ALA HB1 H 1 1.148 1 . 1 . . . . . 138 ALA HB# . 54027 1 97 . 1 . 1 20 20 ALA HB2 H 1 1.148 1 . 1 . . . . . 138 ALA HB# . 54027 1 98 . 1 . 1 20 20 ALA HB3 H 1 1.148 1 . 1 . . . . . 138 ALA HB# . 54027 1 99 . 1 . 1 20 20 ALA N N 15 121.027 1 . 1 . . . . . 138 ALA N . 54027 1 100 . 1 . 1 21 21 ASN H H 1 8.824 1 . 1 . . . . . 139 ASN HN . 54027 1 101 . 1 . 1 21 21 ASN HA H 1 4.13 1 . 1 . . . . . 139 ASN HA . 54027 1 102 . 1 . 1 21 21 ASN HB2 H 1 3.161 1 . 1 . . . . . 139 ASN HB2 . 54027 1 103 . 1 . 1 21 21 ASN HB3 H 1 2.757 1 . 1 . . . . . 139 ASN HB3 . 54027 1 104 . 1 . 1 21 21 ASN HD21 H 1 7.366 1 . 1 . . . . . 139 ASN HD21 . 54027 1 105 . 1 . 1 21 21 ASN HD22 H 1 6.904 1 . 1 . . . . . 139 ASN HD22 . 54027 1 106 . 1 . 1 21 21 ASN N N 15 111.556 1 . 1 . . . . . 139 ASN N . 54027 1 107 . 1 . 1 21 21 ASN ND2 N 15 114.221 1 . 1 . . . . . 139 ASN ND2 . 54027 1 108 . 1 . 1 22 22 PHE H H 1 8.141 1 . 1 . . . . . 140 PHE HN . 54027 1 109 . 1 . 1 22 22 PHE HA H 1 4.769 1 . 1 . . . . . 140 PHE HA . 54027 1 110 . 1 . 1 22 22 PHE HB2 H 1 3.302 1 . 1 . . . . . 140 PHE HB2 . 54027 1 111 . 1 . 1 22 22 PHE HB3 H 1 3.148 1 . 1 . . . . . 140 PHE HB3 . 54027 1 112 . 1 . 1 22 22 PHE N N 15 119.535 1 . 1 . . . . . 140 PHE N . 54027 1 113 . 1 . 1 23 23 THR H H 1 8.501 1 . 1 . . . . . 141 THR HN . 54027 1 114 . 1 . 1 23 23 THR HA H 1 5.48 1 . 1 . . . . . 141 THR HA . 54027 1 115 . 1 . 1 23 23 THR HB H 1 4.143 1 . 1 . . . . . 141 THR HB . 54027 1 116 . 1 . 1 23 23 THR HG21 H 1 1.101 1 . 1 . . . . . 141 THR HG1 . 54027 1 117 . 1 . 1 23 23 THR HG22 H 1 1.101 1 . 1 . . . . . 141 THR HG1 . 54027 1 118 . 1 . 1 23 23 THR HG23 H 1 1.101 1 . 1 . . . . . 141 THR HG1 . 54027 1 119 . 1 . 1 23 23 THR N N 15 109.192 1 . 1 . . . . . 141 THR N . 54027 1 120 . 1 . 1 24 24 GLY H H 1 8.613 1 . 1 . . . . . 142 GLY HN . 54027 1 121 . 1 . 1 24 24 GLY HA2 H 1 3.809 1 . 1 . . . . . 142 GLY HA1 . 54027 1 122 . 1 . 1 24 24 GLY HA3 H 1 4.478 1 . 1 . . . . . 142 GLY HA2 . 54027 1 123 . 1 . 1 24 24 GLY N N 15 104.839 1 . 1 . . . . . 142 GLY N . 54027 1 124 . 1 . 1 25 25 SER H H 1 7.873 1 . 1 . . . . . 143 SER HN . 54027 1 125 . 1 . 1 25 25 SER HA H 1 5.089 1 . 1 . . . . . 143 SER HA . 54027 1 126 . 1 . 1 25 25 SER HB2 H 1 3.649 1 . 1 . . . . . 143 SER HB2 . 54027 1 127 . 1 . 1 25 25 SER HB3 H 1 3.523 1 . 1 . . . . . 143 SER HB3 . 54027 1 128 . 1 . 1 25 25 SER N N 15 112.112 1 . 1 . . . . . 143 SER N . 54027 1 129 . 1 . 1 26 26 ILE H H 1 8.508 1 . 1 . . . . . 144 ILE HN . 54027 1 130 . 1 . 1 26 26 ILE HA H 1 3.809 1 . 1 . . . . . 144 ILE HA . 54027 1 131 . 1 . 1 26 26 ILE HB H 1 2.017 1 . 1 . . . . . 144 ILE HB . 54027 1 132 . 1 . 1 26 26 ILE N N 15 123.823 1 . 1 . . . . . 144 ILE N . 54027 1 133 . 1 . 1 27 27 GLU H H 1 8.886 1 . 1 . . . . . 145 GLU HN . 54027 1 134 . 1 . 1 27 27 GLU HA H 1 4.46 1 . 1 . . . . . 145 GLU HA . 54027 1 135 . 1 . 1 27 27 GLU HB2 H 1 1 1 . 1 . . . . . 145 GLU HB2 . 54027 1 136 . 1 . 1 27 27 GLU HB3 H 1 0.869 1 . 1 . . . . . 145 GLU HB3 . 54027 1 137 . 1 . 1 27 27 GLU HG2 H 1 1.751 1 . 1 . . . . . 145 GLU HG2 . 54027 1 138 . 1 . 1 27 27 GLU HG3 H 1 1.814 1 . 1 . . . . . 145 GLU HG3 . 54027 1 139 . 1 . 1 27 27 GLU N N 15 128.833 1 . 1 . . . . . 145 GLU N . 54027 1 140 . 1 . 1 28 28 GLU H H 1 7.506 1 . 1 . . . . . 146 GLU HN . 54027 1 141 . 1 . 1 28 28 GLU HA H 1 4.343 1 . 1 . . . . . 146 GLU HA . 54027 1 142 . 1 . 1 28 28 GLU HB2 H 1 1.812 1 . 1 . . . . . 146 GLU HB2 . 54027 1 143 . 1 . 1 28 28 GLU HG2 H 1 2.106 1 . 1 . . . . . 146 GLU HG2 . 54027 1 144 . 1 . 1 28 28 GLU N N 15 117.236 1 . 1 . . . . . 146 GLU N . 54027 1 145 . 1 . 1 29 29 ILE H H 1 8.643 1 . 1 . . . . . 147 ILE HN . 54027 1 146 . 1 . 1 29 29 ILE HA H 1 4.228 1 . 1 . . . . . 147 ILE HA . 54027 1 147 . 1 . 1 29 29 ILE HG12 H 1 1.269 1 . 1 . . . . . 147 ILE HG12 . 54027 1 148 . 1 . 1 29 29 ILE HG13 H 1 0.611 1 . 1 . . . . . 147 ILE HG13 . 54027 1 149 . 1 . 1 29 29 ILE HD11 H 1 0.319 1 . 1 . . . . . 147 ILE QD1 . 54027 1 150 . 1 . 1 29 29 ILE HD12 H 1 0.319 1 . 1 . . . . . 147 ILE QD1 . 54027 1 151 . 1 . 1 29 29 ILE HD13 H 1 0.319 1 . 1 . . . . . 147 ILE QD1 . 54027 1 152 . 1 . 1 29 29 ILE N N 15 123.058 1 . 1 . . . . . 147 ILE N . 54027 1 153 . 1 . 1 30 30 ASP H H 1 8.658 1 . 1 . . . . . 148 ASP HN . 54027 1 154 . 1 . 1 30 30 ASP HA H 1 4.845 1 . 1 . . . . . 148 ASP HA . 54027 1 155 . 1 . 1 30 30 ASP HB2 H 1 2.745 1 . 1 . . . . . 148 ASP HB2 . 54027 1 156 . 1 . 1 30 30 ASP HB3 H 1 2.296 1 . 1 . . . . . 148 ASP HB3 . 54027 1 157 . 1 . 1 30 30 ASP N N 15 126.9 1 . 1 . . . . . 148 ASP N . 54027 1 158 . 1 . 1 31 31 TYR H H 1 8.684 1 . 1 . . . . . 149 TYR HN . 54027 1 159 . 1 . 1 31 31 TYR HA H 1 4.232 1 . 1 . . . . . 149 TYR HA . 54027 1 160 . 1 . 1 31 31 TYR HB2 H 1 3.223 1 . 1 . . . . . 149 TYR HB2 . 54027 1 161 . 1 . 1 31 31 TYR HB3 H 1 2.845 1 . 1 . . . . . 149 TYR HB3 . 54027 1 162 . 1 . 1 31 31 TYR N N 15 123.015 1 . 1 . . . . . 149 TYR N . 54027 1 163 . 1 . 1 32 32 ASP H H 1 8.332 1 . 1 . . . . . 150 ASP HN . 54027 1 164 . 1 . 1 32 32 ASP HA H 1 4.49 1 . 1 . . . . . 150 ASP HA . 54027 1 165 . 1 . 1 32 32 ASP HB2 H 1 2.825 1 . 1 . . . . . 150 ASP HB2 . 54027 1 166 . 1 . 1 32 32 ASP HB3 H 1 2.692 1 . 1 . . . . . 150 ASP HB3 . 54027 1 167 . 1 . 1 32 32 ASP N N 15 119.809 1 . 1 . . . . . 150 ASP N . 54027 1 168 . 1 . 1 33 33 LYS H H 1 7.601 1 . 1 . . . . . 151 LYS HN . 54027 1 169 . 1 . 1 33 33 LYS HA H 1 4.232 1 . 1 . . . . . 151 LYS HA . 54027 1 170 . 1 . 1 33 33 LYS HB2 H 1 1.753 1 . 1 . . . . . 151 LYS HB2 . 54027 1 171 . 1 . 1 33 33 LYS HB3 H 1 1.512 1 . 1 . . . . . 151 LYS HB3 . 54027 1 172 . 1 . 1 33 33 LYS HG2 H 1 1.228 1 . 1 . . . . . 151 LYS HG2 . 54027 1 173 . 1 . 1 33 33 LYS HD2 H 1 1.374 1 . 1 . . . . . 151 LYS HD2 . 54027 1 174 . 1 . 1 33 33 LYS HE2 H 1 2.885 1 . 1 . . . . . 151 LYS HE2 . 54027 1 175 . 1 . 1 33 33 LYS N N 15 116.308 1 . 1 . . . . . 151 LYS N . 54027 1 176 . 1 . 1 34 34 SER H H 1 7.457 1 . 1 . . . . . 152 SER HN . 54027 1 177 . 1 . 1 34 34 SER HA H 1 2.958 1 . 1 . . . . . 152 SER HA . 54027 1 178 . 1 . 1 34 34 SER HB2 H 1 3.44 1 . 1 . . . . . 152 SER HB2 . 54027 1 179 . 1 . 1 34 34 SER HB3 H 1 3.859 1 . 1 . . . . . 152 SER HB3 . 54027 1 180 . 1 . 1 34 34 SER N N 15 114.011 1 . 1 . . . . . 152 SER N . 54027 1 181 . 1 . 1 35 35 LYS H H 1 7.554 1 . 1 . . . . . 153 LYS HN . 54027 1 182 . 1 . 1 35 35 LYS HA H 1 4.956 1 . 1 . . . . . 153 LYS HA . 54027 1 183 . 1 . 1 35 35 LYS HB2 H 1 1.547 1 . 1 . . . . . 153 LYS HB2 . 54027 1 184 . 1 . 1 35 35 LYS HG2 H 1 1.081 1 . 1 . . . . . 153 LYS HG2 . 54027 1 185 . 1 . 1 35 35 LYS HD2 H 1 1.349 1 . 1 . . . . . 153 LYS HD2 . 54027 1 186 . 1 . 1 35 35 LYS HE2 H 1 2.767 1 . 1 . . . . . 153 LYS HE2 . 54027 1 187 . 1 . 1 35 35 LYS N N 15 116.342 1 . 1 . . . . . 153 LYS N . 54027 1 188 . 1 . 1 36 36 VAL H H 1 9.116 1 . 1 . . . . . 154 VAL HN . 54027 1 189 . 1 . 1 36 36 VAL HA H 1 4.842 1 . 1 . . . . . 154 VAL HA . 54027 1 190 . 1 . 1 36 36 VAL HB H 1 1.733 1 . 1 . . . . . 154 VAL HB . 54027 1 191 . 1 . 1 36 36 VAL HG11 H 1 0.536 1 . 1 . . . . . 154 VAL QG1 . 54027 1 192 . 1 . 1 36 36 VAL HG12 H 1 0.536 1 . 1 . . . . . 154 VAL QG1 . 54027 1 193 . 1 . 1 36 36 VAL HG13 H 1 0.536 1 . 1 . . . . . 154 VAL QG1 . 54027 1 194 . 1 . 1 36 36 VAL HG21 H 1 0.464 1 . 1 . . . . . 154 VAL QG2 . 54027 1 195 . 1 . 1 36 36 VAL HG22 H 1 0.464 1 . 1 . . . . . 154 VAL QG2 . 54027 1 196 . 1 . 1 36 36 VAL HG23 H 1 0.464 1 . 1 . . . . . 154 VAL QG2 . 54027 1 197 . 1 . 1 36 36 VAL N N 15 114.991 1 . 1 . . . . . 154 VAL N . 54027 1 198 . 1 . 1 37 37 LYS H H 1 8.295 1 . 1 . . . . . 155 LYS HN . 54027 1 199 . 1 . 1 37 37 LYS HA H 1 4.946 1 . 1 . . . . . 155 LYS HA . 54027 1 200 . 1 . 1 37 37 LYS HB2 H 1 1.537 1 . 1 . . . . . 155 LYS HB2 . 54027 1 201 . 1 . 1 37 37 LYS HG2 H 1 1.028 1 . 1 . . . . . 155 LYS HG2 . 54027 1 202 . 1 . 1 37 37 LYS HD2 H 1 1.173 1 . 1 . . . . . 155 LYS HD2 . 54027 1 203 . 1 . 1 37 37 LYS HE2 H 1 2.724 1 . 1 . . . . . 155 LYS HE2 . 54027 1 204 . 1 . 1 37 37 LYS N N 15 122.809 1 . 1 . . . . . 155 LYS N . 54027 1 205 . 1 . 1 38 38 VAL H H 1 8.976 1 . 1 . . . . . 156 VAL HN . 54027 1 206 . 1 . 1 38 38 VAL HA H 1 4.864 1 . 1 . . . . . 156 VAL HA . 54027 1 207 . 1 . 1 38 38 VAL HB H 1 1.496 1 . 1 . . . . . 156 VAL HB . 54027 1 208 . 1 . 1 38 38 VAL HG11 H 1 0.506 1 . 1 . . . . . 156 VAL QG1 . 54027 1 209 . 1 . 1 38 38 VAL HG12 H 1 0.506 1 . 1 . . . . . 156 VAL QG1 . 54027 1 210 . 1 . 1 38 38 VAL HG13 H 1 0.506 1 . 1 . . . . . 156 VAL QG1 . 54027 1 211 . 1 . 1 38 38 VAL HG21 H 1 0.329 1 . 1 . . . . . 156 VAL QG2 . 54027 1 212 . 1 . 1 38 38 VAL HG22 H 1 0.329 1 . 1 . . . . . 156 VAL QG2 . 54027 1 213 . 1 . 1 38 38 VAL HG23 H 1 0.329 1 . 1 . . . . . 156 VAL QG2 . 54027 1 214 . 1 . 1 38 38 VAL N N 15 126.044 1 . 1 . . . . . 156 VAL N . 54027 1 215 . 1 . 1 39 39 PHE H H 1 8.93 1 . 1 . . . . . 157 PHE HN . 54027 1 216 . 1 . 1 39 39 PHE HA H 1 4.896 1 . 1 . . . . . 157 PHE HA . 54027 1 217 . 1 . 1 39 39 PHE HB2 H 1 3.095 1 . 1 . . . . . 157 PHE HB2 . 54027 1 218 . 1 . 1 39 39 PHE HB3 H 1 2.739 1 . 1 . . . . . 157 PHE HB3 . 54027 1 219 . 1 . 1 39 39 PHE N N 15 126.435 1 . 1 . . . . . 157 PHE N . 54027 1 220 . 1 . 1 40 40 VAL H H 1 8.523 1 . 1 . . . . . 158 VAL HN . 54027 1 221 . 1 . 1 40 40 VAL HA H 1 4.103 1 . 1 . . . . . 158 VAL HA . 54027 1 222 . 1 . 1 40 40 VAL HB H 1 1.684 1 . 1 . . . . . 158 VAL HB . 54027 1 223 . 1 . 1 40 40 VAL HG11 H 1 0.622 1 . 1 . . . . . 158 VAL QG1 . 54027 1 224 . 1 . 1 40 40 VAL HG12 H 1 0.622 1 . 1 . . . . . 158 VAL QG1 . 54027 1 225 . 1 . 1 40 40 VAL HG13 H 1 0.622 1 . 1 . . . . . 158 VAL QG1 . 54027 1 226 . 1 . 1 40 40 VAL HG21 H 1 0.423 1 . 1 . . . . . 158 VAL QG2 . 54027 1 227 . 1 . 1 40 40 VAL HG22 H 1 0.423 1 . 1 . . . . . 158 VAL QG2 . 54027 1 228 . 1 . 1 40 40 VAL HG23 H 1 0.423 1 . 1 . . . . . 158 VAL QG2 . 54027 1 229 . 1 . 1 40 40 VAL N N 15 125.614 1 . 1 . . . . . 158 VAL N . 54027 1 230 . 1 . 1 41 41 ASN H H 1 8.956 1 . 1 . . . . . 159 ASN HN . 54027 1 231 . 1 . 1 41 41 ASN HA H 1 4.748 1 . 1 . . . . . 159 ASN HA . 54027 1 232 . 1 . 1 41 41 ASN HB2 H 1 2.835 1 . 1 . . . . . 159 ASN HB2 . 54027 1 233 . 1 . 1 41 41 ASN HB3 H 1 2.671 1 . 1 . . . . . 159 ASN HB3 . 54027 1 234 . 1 . 1 41 41 ASN HD21 H 1 7.446 1 . 1 . . . . . 159 ASN HD21 . 54027 1 235 . 1 . 1 41 41 ASN HD22 H 1 6.688 1 . 1 . . . . . 159 ASN HD22 . 54027 1 236 . 1 . 1 41 41 ASN N N 15 125.461 1 . 1 . . . . . 159 ASN N . 54027 1 237 . 1 . 1 41 41 ASN ND2 N 15 110.83 1 . 1 . . . . . 159 ASN ND2 . 54027 1 238 . 1 . 1 42 42 MET H H 1 8.198 1 . 1 . . . . . 160 MET HN . 54027 1 239 . 1 . 1 42 42 MET HA H 1 4.297 1 . 1 . . . . . 160 MET HA . 54027 1 240 . 1 . 1 42 42 MET HB2 H 1 1.495 1 . 1 . . . . . 160 MET HB2 . 54027 1 241 . 1 . 1 42 42 MET HG2 H 1 1.761 1 . 1 . . . . . 160 MET HG2 . 54027 1 242 . 1 . 1 42 42 MET N N 15 125.209 1 . 1 . . . . . 160 MET N . 54027 1 243 . 1 . 1 45 45 ARG H H 1 7.564 1 . 1 . . . . . 163 ARG HN . 54027 1 244 . 1 . 1 45 45 ARG HA H 1 4.496 1 . 1 . . . . . 163 ARG HA . 54027 1 245 . 1 . 1 45 45 ARG HB2 H 1 1.737 1 . 1 . . . . . 163 ARG HB2 . 54027 1 246 . 1 . 1 45 45 ARG HG2 H 1 1.505 1 . 1 . . . . . 163 ARG HG2 . 54027 1 247 . 1 . 1 45 45 ARG HD2 H 1 3.14 1 . 1 . . . . . 163 ARG HD2 . 54027 1 248 . 1 . 1 45 45 ARG N N 15 120.395 1 . 1 . . . . . 163 ARG N . 54027 1 249 . 1 . 1 47 47 THR H H 1 8.777 1 . 1 . . . . . 165 THR HN . 54027 1 250 . 1 . 1 47 47 THR HA H 1 4.61 1 . 1 . . . . . 165 THR HA . 54027 1 251 . 1 . 1 47 47 THR HB H 1 3.736 1 . 1 . . . . . 165 THR HB . 54027 1 252 . 1 . 1 47 47 THR HG21 H 1 0.945 1 . 1 . . . . . 165 THR HG1 . 54027 1 253 . 1 . 1 47 47 THR HG22 H 1 0.945 1 . 1 . . . . . 165 THR HG1 . 54027 1 254 . 1 . 1 47 47 THR HG23 H 1 0.945 1 . 1 . . . . . 165 THR HG1 . 54027 1 255 . 1 . 1 47 47 THR N N 15 122.344 1 . 1 . . . . . 165 THR N . 54027 1 256 . 1 . 1 49 49 VAL H H 1 8.991 1 . 1 . . . . . 167 VAL HN . 54027 1 257 . 1 . 1 49 49 VAL HA H 1 4.096 1 . 1 . . . . . 167 VAL HA . 54027 1 258 . 1 . 1 49 49 VAL HB H 1 1.597 1 . 1 . . . . . 167 VAL HB . 54027 1 259 . 1 . 1 49 49 VAL HG11 H 1 0.54 1 . 1 . . . . . 167 VAL QG1 . 54027 1 260 . 1 . 1 49 49 VAL HG12 H 1 0.54 1 . 1 . . . . . 167 VAL QG1 . 54027 1 261 . 1 . 1 49 49 VAL HG13 H 1 0.54 1 . 1 . . . . . 167 VAL QG1 . 54027 1 262 . 1 . 1 49 49 VAL HG21 H 1 0.296 1 . 1 . . . . . 167 VAL QG2 . 54027 1 263 . 1 . 1 49 49 VAL HG22 H 1 0.296 1 . 1 . . . . . 167 VAL QG2 . 54027 1 264 . 1 . 1 49 49 VAL HG23 H 1 0.296 1 . 1 . . . . . 167 VAL QG2 . 54027 1 265 . 1 . 1 49 49 VAL N N 15 123.107 1 . 1 . . . . . 167 VAL N . 54027 1 266 . 1 . 1 50 50 GLU H H 1 8.399 1 . 1 . . . . . 168 GLU HN . 54027 1 267 . 1 . 1 50 50 GLU HA H 1 4.985 1 . 1 . . . . . 168 GLU HA . 54027 1 268 . 1 . 1 50 50 GLU HB2 H 1 1.856 1 . 1 . . . . . 168 GLU HB2 . 54027 1 269 . 1 . 1 50 50 GLU HG2 H 1 2.04 1 . 1 . . . . . 168 GLU HG2 . 54027 1 270 . 1 . 1 50 50 GLU N N 15 126.707 1 . 1 . . . . . 168 GLU N . 54027 1 271 . 1 . 1 51 51 LEU H H 1 8.87 1 . 1 . . . . . 169 LEU HN . 54027 1 272 . 1 . 1 51 51 LEU HA H 1 4.779 1 . 1 . . . . . 169 LEU HA . 54027 1 273 . 1 . 1 51 51 LEU HB2 H 1 1.535 1 . 1 . . . . . 169 LEU HB2 . 54027 1 274 . 1 . 1 51 51 LEU HG H 1 1.172 1 . 1 . . . . . 169 LEU HG . 54027 1 275 . 1 . 1 51 51 LEU HD11 H 1 0.822 1 . 1 . . . . . 169 LEU QD1 . 54027 1 276 . 1 . 1 51 51 LEU HD12 H 1 0.822 1 . 1 . . . . . 169 LEU QD1 . 54027 1 277 . 1 . 1 51 51 LEU HD13 H 1 0.822 1 . 1 . . . . . 169 LEU QD1 . 54027 1 278 . 1 . 1 51 51 LEU HD21 H 1 0.541 1 . 1 . . . . . 169 LEU QD2 . 54027 1 279 . 1 . 1 51 51 LEU HD22 H 1 0.541 1 . 1 . . . . . 169 LEU QD2 . 54027 1 280 . 1 . 1 51 51 LEU HD23 H 1 0.541 1 . 1 . . . . . 169 LEU QD2 . 54027 1 281 . 1 . 1 51 51 LEU N N 15 126.881 1 . 1 . . . . . 169 LEU N . 54027 1 282 . 1 . 1 52 52 GLU H H 1 8.884 1 . 1 . . . . . 170 GLU HN . 54027 1 283 . 1 . 1 52 52 GLU HA H 1 4.753 1 . 1 . . . . . 170 GLU HA . 54027 1 284 . 1 . 1 52 52 GLU HB2 H 1 1.773 1 . 1 . . . . . 170 GLU HB2 . 54027 1 285 . 1 . 1 52 52 GLU HG2 H 1 2.351 1 . 1 . . . . . 170 GLU HG2 . 54027 1 286 . 1 . 1 52 52 GLU HG3 H 1 2.249 1 . 1 . . . . . 170 GLU HG3 . 54027 1 287 . 1 . 1 52 52 GLU N N 15 118.378 1 . 1 . . . . . 170 GLU N . 54027 1 288 . 1 . 1 53 53 PHE H H 1 8.258 1 . 1 . . . . . 171 PHE HN . 54027 1 289 . 1 . 1 53 53 PHE HA H 1 4.105 1 . 1 . . . . . 171 PHE HA . 54027 1 290 . 1 . 1 53 53 PHE HB2 H 1 3.246 1 . 1 . . . . . 171 PHE HB2 . 54027 1 291 . 1 . 1 53 53 PHE HB3 H 1 3.06 1 . 1 . . . . . 171 PHE HB3 . 54027 1 292 . 1 . 1 53 53 PHE N N 15 120.239 1 . 1 . . . . . 171 PHE N . 54027 1 293 . 1 . 1 54 54 THR H H 1 8.489 1 . 1 . . . . . 172 THR HN . 54027 1 294 . 1 . 1 54 54 THR HA H 1 4.923 1 . 1 . . . . . 172 THR HA . 54027 1 295 . 1 . 1 54 54 THR HB H 1 4.016 1 . 1 . . . . . 172 THR HB . 54027 1 296 . 1 . 1 54 54 THR HG21 H 1 1.15 1 . 1 . . . . . 172 THR HG1 . 54027 1 297 . 1 . 1 54 54 THR HG22 H 1 1.15 1 . 1 . . . . . 172 THR HG1 . 54027 1 298 . 1 . 1 54 54 THR HG23 H 1 1.15 1 . 1 . . . . . 172 THR HG1 . 54027 1 299 . 1 . 1 54 54 THR N N 15 122.348 1 . 1 . . . . . 172 THR N . 54027 1 300 . 1 . 1 55 55 GLN H H 1 7.87 1 . 1 . . . . . 173 GLN HN . 54027 1 301 . 1 . 1 55 55 GLN HA H 1 4.263 1 . 1 . . . . . 173 GLN HA . 54027 1 302 . 1 . 1 55 55 GLN HB2 H 1 2.167 1 . 1 . . . . . 173 GLN HB2 . 54027 1 303 . 1 . 1 55 55 GLN HG2 H 1 2.339 1 . 1 . . . . . 173 GLN HG2 . 54027 1 304 . 1 . 1 55 55 GLN HE21 H 1 8.335 1 . 1 . . . . . 173 GLN HE21 . 54027 1 305 . 1 . 1 55 55 GLN HE22 H 1 6.729 1 . 1 . . . . . 173 GLN HE22 . 54027 1 306 . 1 . 1 55 55 GLN N N 15 117.748 1 . 1 . . . . . 173 GLN N . 54027 1 307 . 1 . 1 55 55 GLN NE2 N 15 112.817 1 . 1 . . . . . 173 GLN NE2 . 54027 1 308 . 1 . 1 56 56 ILE H H 1 7.212 1 . 1 . . . . . 174 ILE HN . 54027 1 309 . 1 . 1 56 56 ILE HA H 1 5.344 1 . 1 . . . . . 174 ILE HA . 54027 1 310 . 1 . 1 56 56 ILE HB H 1 2.042 1 . 1 . . . . . 174 ILE HB . 54027 1 311 . 1 . 1 56 56 ILE HG12 H 1 1.157 1 . 1 . . . . . 174 ILE HG12 . 54027 1 312 . 1 . 1 56 56 ILE HD11 H 1 0.54 1 . 1 . . . . . 174 ILE QD1 . 54027 1 313 . 1 . 1 56 56 ILE HD12 H 1 0.54 1 . 1 . . . . . 174 ILE QD1 . 54027 1 314 . 1 . 1 56 56 ILE HD13 H 1 0.54 1 . 1 . . . . . 174 ILE QD1 . 54027 1 315 . 1 . 1 56 56 ILE N N 15 111.906 1 . 1 . . . . . 174 ILE N . 54027 1 316 . 1 . 1 57 57 ASP H H 1 8.946 1 . 1 . . . . . 175 ASP HN . 54027 1 317 . 1 . 1 57 57 ASP HA H 1 5.122 1 . 1 . . . . . 175 ASP HA . 54027 1 318 . 1 . 1 57 57 ASP HB2 H 1 2.484 1 . 1 . . . . . 175 ASP HB2 . 54027 1 319 . 1 . 1 57 57 ASP N N 15 117.663 1 . 1 . . . . . 175 ASP N . 54027 1 320 . 1 . 1 58 58 LYS H H 1 8.539 1 . 1 . . . . . 176 LYS HN . 54027 1 321 . 1 . 1 58 58 LYS HA H 1 4.545 1 . 1 . . . . . 176 LYS HA . 54027 1 322 . 1 . 1 58 58 LYS HB2 H 1 1.876 1 . 1 . . . . . 176 LYS HB2 . 54027 1 323 . 1 . 1 58 58 LYS HG2 H 1 1.5 1 . 1 . . . . . 176 LYS HG2 . 54027 1 324 . 1 . 1 58 58 LYS HD2 H 1 1.668 1 . 1 . . . . . 176 LYS HD2 . 54027 1 325 . 1 . 1 58 58 LYS HE2 H 1 2.71 1 . 1 . . . . . 176 LYS HE2 . 54027 1 326 . 1 . 1 58 58 LYS N N 15 121.156 1 . 1 . . . . . 176 LYS N . 54027 1 327 . 1 . 1 59 59 LEU H H 1 8.082 1 . 1 . . . . . 177 LEU HN . 54027 1 328 . 1 . 1 59 59 LEU HA H 1 4.014 1 . 1 . . . . . 177 LEU HA . 54027 1 329 . 1 . 1 59 59 LEU HB2 H 1 1.556 1 . 1 . . . . . 177 LEU HB2 . 54027 1 330 . 1 . 1 59 59 LEU HG H 1 1.434 1 . 1 . . . . . 177 LEU HG . 54027 1 331 . 1 . 1 59 59 LEU HD11 H 1 0.797 1 . 1 . . . . . 177 LEU QD1 . 54027 1 332 . 1 . 1 59 59 LEU HD12 H 1 0.797 1 . 1 . . . . . 177 LEU QD1 . 54027 1 333 . 1 . 1 59 59 LEU HD13 H 1 0.797 1 . 1 . . . . . 177 LEU QD1 . 54027 1 334 . 1 . 1 59 59 LEU N N 15 127.102 1 . 1 . . . . . 177 LEU N . 54027 1 stop_ save_