################################### # 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_assignments_tm6 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assignments_tm6 _Assigned_chem_shift_list.Entry_ID 17040 _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 '2D DQF-COSY' . . . 17040 1 2 '2D 1H-1H TOCSY' . . . 17040 1 3 '2D 1H-1H NOESY' . . . 17040 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 3 $NMRView . . 17040 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 ALY H H 1 8.237 0.02 . 1 . . . . 223 LYS H . 17040 1 2 . 1 1 1 1 ALY HCA H 1 4.225 0.02 . 1 . . . . 223 LYS HA . 17040 1 3 . 1 1 1 1 ALY HB2 H 1 1.691 0.02 . 2 . . . . 223 LYS HB1 . 17040 1 4 . 1 1 1 1 ALY HD2 H 1 1.763 0.02 . 2 . . . . 223 LYS HD1 . 17040 1 5 . 1 1 1 1 ALY HG2 H 1 1.443 0.02 . 2 . . . . 223 LYS HG1 . 17040 1 6 . 1 1 2 2 LYS H H 1 8.377 0.02 . 1 . . . . 224 LYS HN . 17040 1 7 . 1 1 2 2 LYS HA H 1 4.276 0.02 . 1 . . . . 224 LYS HA . 17040 1 8 . 1 1 2 2 LYS HB2 H 1 1.805 0.02 . 2 . . . . 224 LYS HB1 . 17040 1 9 . 1 1 2 2 LYS HB3 H 1 1.743 0.02 . 2 . . . . 224 LYS HB2 . 17040 1 10 . 1 1 2 2 LYS HD2 H 1 1.680 0.02 . 2 . . . . 224 LYS HD1 . 17040 1 11 . 1 1 2 2 LYS HG2 H 1 1.440 0.02 . 2 . . . . 224 LYS HG1 . 17040 1 12 . 1 1 2 2 LYS HG3 H 1 1.400 0.02 . 2 . . . . 224 LYS HG2 . 17040 1 13 . 1 1 3 3 LYS H H 1 8.400 0.02 . 1 . . . . 225 LYS HN . 17040 1 14 . 1 1 3 3 LYS HA H 1 4.278 0.02 . 1 . . . . 225 LYS HA . 17040 1 15 . 1 1 3 3 LYS HB2 H 1 1.807 0.02 . 2 . . . . 225 LYS HB1 . 17040 1 16 . 1 1 3 3 LYS HB3 H 1 1.739 0.02 . 2 . . . . 225 LYS HB2 . 17040 1 17 . 1 1 3 3 LYS HD2 H 1 1.670 0.02 . 2 . . . . 225 LYS HD1 . 17040 1 18 . 1 1 3 3 LYS HG2 H 1 1.430 0.02 . 2 . . . . 225 LYS HG1 . 17040 1 19 . 1 1 3 3 LYS HG3 H 1 1.398 0.02 . 2 . . . . 225 LYS HG2 . 17040 1 20 . 1 1 4 4 ASP H H 1 8.289 0.02 . 1 . . . . 226 ASP HN . 17040 1 21 . 1 1 4 4 ASP HA H 1 4.557 0.02 . 1 . . . . 226 ASP HA . 17040 1 22 . 1 1 4 4 ASP HB2 H 1 2.669 0.02 . 2 . . . . 226 ASP HB1 . 17040 1 23 . 1 1 4 4 ASP HB3 H 1 2.605 0.02 . 2 . . . . 226 ASP HB2 . 17040 1 24 . 1 1 5 5 ASN H H 1 8.372 0.02 . 1 . . . . 227 ASN HN . 17040 1 25 . 1 1 5 5 ASN HA H 1 4.276 0.02 . 1 . . . . 227 ASN HA . 17040 1 26 . 1 1 5 5 ASN HB2 H 1 2.816 0.02 . 2 . . . . 227 ASN HB1 . 17040 1 27 . 1 1 5 5 ASN HB3 H 1 2.749 0.02 . 2 . . . . 227 ASN HB2 . 17040 1 28 . 1 1 5 5 ASN HD21 H 1 7.706 0.02 . 2 . . . . 227 ASN HD21 . 17040 1 29 . 1 1 5 5 ASN HD22 H 1 6.795 0.02 . 2 . . . . 227 ASN HD22 . 17040 1 30 . 1 1 6 6 LEU H H 1 8.341 0.02 . 1 . . . . 228 LEU HN . 17040 1 31 . 1 1 6 6 LEU HA H 1 4.268 0.02 . 1 . . . . 228 LEU HA . 17040 1 32 . 1 1 6 6 LEU HB2 H 1 1.556 0.02 . 2 . . . . 228 LEU HB1 . 17040 1 33 . 1 1 6 6 LEU HB3 H 1 1.683 0.02 . 2 . . . . 228 LEU HB2 . 17040 1 34 . 1 1 6 6 LEU HD11 H 1 0.921 0.02 . 2 . . . . 228 LEU HD11 . 17040 1 35 . 1 1 6 6 LEU HD12 H 1 0.921 0.02 . 2 . . . . 228 LEU HD11 . 17040 1 36 . 1 1 6 6 LEU HD13 H 1 0.921 0.02 . 2 . . . . 228 LEU HD11 . 17040 1 37 . 1 1 6 6 LEU HD21 H 1 0.862 0.02 . 2 . . . . 228 LEU HD21 . 17040 1 38 . 1 1 6 6 LEU HD22 H 1 0.862 0.02 . 2 . . . . 228 LEU HD21 . 17040 1 39 . 1 1 6 6 LEU HD23 H 1 0.862 0.02 . 2 . . . . 228 LEU HD21 . 17040 1 40 . 1 1 6 6 LEU HG H 1 1.616 0.02 . 1 . . . . 228 LEU HG . 17040 1 41 . 1 1 7 7 LEU H H 1 8.296 0.02 . 1 . . . . 229 LEU HN . 17040 1 42 . 1 1 7 7 LEU HA H 1 4.203 0.02 . 1 . . . . 229 LEU HA . 17040 1 43 . 1 1 7 7 LEU HB2 H 1 1.514 0.02 . 2 . . . . 229 LEU HB1 . 17040 1 44 . 1 1 7 7 LEU HB3 H 1 1.607 0.02 . 2 . . . . 229 LEU HB2 . 17040 1 45 . 1 1 7 7 LEU HD11 H 1 0.868 0.02 . 2 . . . . 229 LEU HD11 . 17040 1 46 . 1 1 7 7 LEU HD12 H 1 0.868 0.02 . 2 . . . . 229 LEU HD11 . 17040 1 47 . 1 1 7 7 LEU HD13 H 1 0.868 0.02 . 2 . . . . 229 LEU HD11 . 17040 1 48 . 1 1 7 7 LEU HD21 H 1 0.815 0.02 . 2 . . . . 229 LEU HD21 . 17040 1 49 . 1 1 7 7 LEU HD22 H 1 0.815 0.02 . 2 . . . . 229 LEU HD21 . 17040 1 50 . 1 1 7 7 LEU HD23 H 1 0.815 0.02 . 2 . . . . 229 LEU HD21 . 17040 1 51 . 1 1 7 7 LEU HG H 1 1.461 0.02 . 1 . . . . 229 LEU HG . 17040 1 52 . 1 1 8 8 PHE H H 1 8.474 0.02 . 1 . . . . 230 PHE HN . 17040 1 53 . 1 1 8 8 PHE HA H 1 4.363 0.02 . 1 . . . . 230 PHE HA . 17040 1 54 . 1 1 8 8 PHE HB2 H 1 3.162 0.02 . 2 . . . . 230 PHE HB1 . 17040 1 55 . 1 1 8 8 PHE HB3 H 1 3.136 0.02 . 2 . . . . 230 PHE HB2 . 17040 1 56 . 1 1 8 8 PHE HD1 H 1 7.234 0.02 . 3 . . . . 230 PHE HD1 . 17040 1 57 . 1 1 8 8 PHE HE1 H 1 7.251 0.02 . 3 . . . . 230 PHE HE1 . 17040 1 58 . 1 1 8 8 PHE HZ H 1 7.175 0.02 . 1 . . . . 230 PHE HZ . 17040 1 59 . 1 1 9 9 GLY H H 1 8.495 0.02 . 1 . . . . 231 GLY HN . 17040 1 60 . 1 1 9 9 GLY HA2 H 1 3.998 0.02 . 2 . . . . 231 GLY HA1 . 17040 1 61 . 1 1 9 9 GLY HA3 H 1 3.781 0.02 . 2 . . . . 231 GLY HA2 . 17040 1 62 . 1 1 10 10 SER H H 1 8.071 0.02 . 1 . . . . 232 SER HN . 17040 1 63 . 1 1 10 10 SER HA H 1 4.375 0.02 . 1 . . . . 232 SER HA . 17040 1 64 . 1 1 10 10 SER HB2 H 1 3.985 0.02 . 2 . . . . 232 SER HB1 . 17040 1 65 . 1 1 10 10 SER HB3 H 1 3.901 0.02 . 2 . . . . 232 SER HB2 . 17040 1 66 . 1 1 11 11 ILE H H 1 7.970 0.02 . 1 . . . . 233 ILE HN . 17040 1 67 . 1 1 11 11 ILE HA H 1 3.918 0.02 . 1 . . . . 233 ILE HA . 17040 1 68 . 1 1 11 11 ILE HB H 1 1.974 0.02 . 1 . . . . 233 ILE HB . 17040 1 69 . 1 1 11 11 ILE HD11 H 1 0.852 0.02 . 1 . . . . 233 ILE HD11 . 17040 1 70 . 1 1 11 11 ILE HD12 H 1 0.852 0.02 . 1 . . . . 233 ILE HD11 . 17040 1 71 . 1 1 11 11 ILE HD13 H 1 0.852 0.02 . 1 . . . . 233 ILE HD11 . 17040 1 72 . 1 1 11 11 ILE HG12 H 1 1.668 0.02 . 2 . . . . 233 ILE HG11 . 17040 1 73 . 1 1 11 11 ILE HG13 H 1 1.163 0.02 . 2 . . . . 233 ILE HG12 . 17040 1 74 . 1 1 11 11 ILE HG21 H 1 0.874 0.02 . 1 . . . . 233 ILE HG21 . 17040 1 75 . 1 1 11 11 ILE HG22 H 1 0.874 0.02 . 1 . . . . 233 ILE HG21 . 17040 1 76 . 1 1 11 11 ILE HG23 H 1 0.874 0.02 . 1 . . . . 233 ILE HG21 . 17040 1 77 . 1 1 12 12 ILE H H 1 7.830 0.02 . 1 . . . . 234 ILE HN . 17040 1 78 . 1 1 12 12 ILE HA H 1 3.933 0.02 . 1 . . . . 234 ILE HA . 17040 1 79 . 1 1 12 12 ILE HB H 1 1.886 0.02 . 1 . . . . 234 ILE HB . 17040 1 80 . 1 1 12 12 ILE HD11 H 1 0.805 0.02 . 1 . . . . 234 ILE HD11 . 17040 1 81 . 1 1 12 12 ILE HD12 H 1 0.805 0.02 . 1 . . . . 234 ILE HD11 . 17040 1 82 . 1 1 12 12 ILE HD13 H 1 0.805 0.02 . 1 . . . . 234 ILE HD11 . 17040 1 83 . 1 1 12 12 ILE HG12 H 1 1.485 0.02 . 2 . . . . 234 ILE HG11 . 17040 1 84 . 1 1 12 12 ILE HG13 H 1 1.204 0.02 . 2 . . . . 234 ILE HG12 . 17040 1 85 . 1 1 12 12 ILE HG21 H 1 0.880 0.02 . 1 . . . . 234 ILE HG21 . 17040 1 86 . 1 1 12 12 ILE HG22 H 1 0.880 0.02 . 1 . . . . 234 ILE HG21 . 17040 1 87 . 1 1 12 12 ILE HG23 H 1 0.880 0.02 . 1 . . . . 234 ILE HG21 . 17040 1 88 . 1 1 13 13 SER H H 1 7.735 0.02 . 1 . . . . 235 SER HN . 17040 1 89 . 1 1 13 13 SER HA H 1 4.306 0.02 . 1 . . . . 235 SER HA . 17040 1 90 . 1 1 13 13 SER HB2 H 1 3.952 0.02 . 2 . . . . 235 SER HB1 . 17040 1 91 . 1 1 13 13 SER HB3 H 1 3.911 0.02 . 2 . . . . 235 SER HB2 . 17040 1 92 . 1 1 14 14 ALA H H 1 7.664 0.02 . 1 . . . . 236 ALA HN . 17040 1 93 . 1 1 14 14 ALA HA H 1 4.349 0.02 . 1 . . . . 236 ALA HA . 17040 1 94 . 1 1 14 14 ALA HB1 H 1 1.470 0.02 . 1 . . . . 236 ALA HB1 . 17040 1 95 . 1 1 14 14 ALA HB2 H 1 1.470 0.02 . 1 . . . . 236 ALA HB1 . 17040 1 96 . 1 1 14 14 ALA HB3 H 1 1.470 0.02 . 1 . . . . 236 ALA HB1 . 17040 1 97 . 1 1 15 15 VAL H H 1 7.444 0.02 . 1 . . . . 237 VAL HN . 17040 1 98 . 1 1 15 15 VAL HA H 1 4.006 0.02 . 1 . . . . 237 VAL HA . 17040 1 99 . 1 1 15 15 VAL HB H 1 2.084 0.02 . 1 . . . . 237 VAL HB . 17040 1 100 . 1 1 15 15 VAL HG11 H 1 0.928 0.02 . 2 . . . . 237 VAL HG11 . 17040 1 101 . 1 1 15 15 VAL HG12 H 1 0.928 0.02 . 2 . . . . 237 VAL HG11 . 17040 1 102 . 1 1 15 15 VAL HG13 H 1 0.928 0.02 . 2 . . . . 237 VAL HG11 . 17040 1 103 . 1 1 15 15 VAL HG21 H 1 0.825 0.02 . 2 . . . . 237 VAL HG21 . 17040 1 104 . 1 1 15 15 VAL HG22 H 1 0.825 0.02 . 2 . . . . 237 VAL HG21 . 17040 1 105 . 1 1 15 15 VAL HG23 H 1 0.825 0.02 . 2 . . . . 237 VAL HG21 . 17040 1 106 . 1 1 16 16 ASP H H 1 8.241 0.02 . 1 . . . . 238 ASP HN . 17040 1 107 . 1 1 16 16 ASP HA H 1 4.961 0.02 . 1 . . . . 238 ASP HA . 17040 1 108 . 1 1 16 16 ASP HB2 H 1 2.967 0.02 . 2 . . . . 238 ASP HB1 . 17040 1 109 . 1 1 16 16 ASP HB3 H 1 2.704 0.02 . 2 . . . . 238 ASP HB2 . 17040 1 110 . 1 1 17 17 PRO HA H 1 4.074 0.02 . 1 . . . . 239 PRO HA . 17040 1 111 . 1 1 17 17 PRO HB2 H 1 2.025 0.02 . 2 . . . . 239 PRO HB1 . 17040 1 112 . 1 1 17 17 PRO HB3 H 1 1.967 0.02 . 2 . . . . 239 PRO HB2 . 17040 1 113 . 1 1 17 17 PRO HD2 H 1 4.132 0.02 . 2 . . . . 239 PRO HD1 . 17040 1 114 . 1 1 17 17 PRO HD3 H 1 4.117 0.02 . 2 . . . . 239 PRO HD2 . 17040 1 115 . 1 1 17 17 PRO HG2 H 1 2.207 0.02 . 2 . . . . 239 PRO HG1 . 17040 1 116 . 1 1 18 18 VAL H H 1 7.951 0.02 . 1 . . . . 240 VAL HN . 17040 1 117 . 1 1 18 18 VAL HA H 1 3.607 0.02 . 1 . . . . 240 VAL HA . 17040 1 118 . 1 1 18 18 VAL HB H 1 2.224 0.02 . 1 . . . . 240 VAL HB . 17040 1 119 . 1 1 18 18 VAL HG11 H 1 1.050 0.02 . 2 . . . . 240 VAL HG11 . 17040 1 120 . 1 1 18 18 VAL HG12 H 1 1.050 0.02 . 2 . . . . 240 VAL HG11 . 17040 1 121 . 1 1 18 18 VAL HG13 H 1 1.050 0.02 . 2 . . . . 240 VAL HG11 . 17040 1 122 . 1 1 18 18 VAL HG21 H 1 0.962 0.02 . 2 . . . . 240 VAL HG21 . 17040 1 123 . 1 1 18 18 VAL HG22 H 1 0.962 0.02 . 2 . . . . 240 VAL HG21 . 17040 1 124 . 1 1 18 18 VAL HG23 H 1 0.962 0.02 . 2 . . . . 240 VAL HG21 . 17040 1 125 . 1 1 19 19 ALA H H 1 7.441 0.02 . 1 . . . . 241 ALA HN . 17040 1 126 . 1 1 19 19 ALA HA H 1 4.213 0.02 . 1 . . . . 241 ALA HA . 17040 1 127 . 1 1 19 19 ALA HB1 H 1 1.563 0.02 . 1 . . . . 241 ALA HB1 . 17040 1 128 . 1 1 19 19 ALA HB2 H 1 1.563 0.02 . 1 . . . . 241 ALA HB1 . 17040 1 129 . 1 1 19 19 ALA HB3 H 1 1.563 0.02 . 1 . . . . 241 ALA HB1 . 17040 1 130 . 1 1 20 20 VAL H H 1 7.630 0.02 . 1 . . . . 242 VAL HN . 17040 1 131 . 1 1 20 20 VAL HA H 1 3.517 0.02 . 1 . . . . 242 VAL HA . 17040 1 132 . 1 1 20 20 VAL HB H 1 2.138 0.02 . 1 . . . . 242 VAL HB . 17040 1 133 . 1 1 20 20 VAL HG11 H 1 0.984 0.02 . 2 . . . . 242 VAL HG11 . 17040 1 134 . 1 1 20 20 VAL HG12 H 1 0.984 0.02 . 2 . . . . 242 VAL HG11 . 17040 1 135 . 1 1 20 20 VAL HG13 H 1 0.984 0.02 . 2 . . . . 242 VAL HG11 . 17040 1 136 . 1 1 20 20 VAL HG21 H 1 0.825 0.02 . 2 . . . . 242 VAL HG21 . 17040 1 137 . 1 1 20 20 VAL HG22 H 1 0.825 0.02 . 2 . . . . 242 VAL HG21 . 17040 1 138 . 1 1 20 20 VAL HG23 H 1 0.825 0.02 . 2 . . . . 242 VAL HG21 . 17040 1 139 . 1 1 21 21 LEU H H 1 8.043 0.02 . 1 . . . . 243 LEU HN . 17040 1 140 . 1 1 21 21 LEU HA H 1 4.048 0.02 . 1 . . . . 243 LEU HA . 17040 1 141 . 1 1 21 21 LEU HB2 H 1 1.751 0.02 . 2 . . . . 243 LEU HB1 . 17040 1 142 . 1 1 21 21 LEU HB3 H 1 1.829 0.02 . 2 . . . . 243 LEU HB2 . 17040 1 143 . 1 1 21 21 LEU HD11 H 1 0.978 0.02 . 2 . . . . 243 LEU HD11 . 17040 1 144 . 1 1 21 21 LEU HD12 H 1 0.978 0.02 . 2 . . . . 243 LEU HD11 . 17040 1 145 . 1 1 21 21 LEU HD13 H 1 0.978 0.02 . 2 . . . . 243 LEU HD11 . 17040 1 146 . 1 1 21 21 LEU HD21 H 1 0.922 0.02 . 2 . . . . 243 LEU HD21 . 17040 1 147 . 1 1 21 21 LEU HD22 H 1 0.922 0.02 . 2 . . . . 243 LEU HD21 . 17040 1 148 . 1 1 21 21 LEU HD23 H 1 0.922 0.02 . 2 . . . . 243 LEU HD21 . 17040 1 149 . 1 1 21 21 LEU HG H 1 1.782 0.02 . 1 . . . . 243 LEU HG . 17040 1 150 . 1 1 22 22 ALA H H 1 7.868 0.02 . 1 . . . . 244 ALA HN . 17040 1 151 . 1 1 22 22 ALA HA H 1 4.194 0.02 . 1 . . . . 244 ALA HA . 17040 1 152 . 1 1 22 22 ALA HB1 H 1 1.563 0.02 . 1 . . . . 244 ALA HB1 . 17040 1 153 . 1 1 22 22 ALA HB2 H 1 1.563 0.02 . 1 . . . . 244 ALA HB1 . 17040 1 154 . 1 1 22 22 ALA HB3 H 1 1.563 0.02 . 1 . . . . 244 ALA HB1 . 17040 1 155 . 1 1 23 23 VAL H H 1 7.734 0.02 . 1 . . . . 245 VAL HN . 17040 1 156 . 1 1 23 23 VAL HA H 1 3.771 0.02 . 1 . . . . 245 VAL HA . 17040 1 157 . 1 1 23 23 VAL HB H 1 2.272 0.02 . 1 . . . . 245 VAL HB . 17040 1 158 . 1 1 23 23 VAL HG11 H 1 1.113 0.02 . 2 . . . . 245 VAL HG11 . 17040 1 159 . 1 1 23 23 VAL HG12 H 1 1.113 0.02 . 2 . . . . 245 VAL HG11 . 17040 1 160 . 1 1 23 23 VAL HG13 H 1 1.113 0.02 . 2 . . . . 245 VAL HG11 . 17040 1 161 . 1 1 23 23 VAL HG21 H 1 0.901 0.02 . 2 . . . . 245 VAL HG21 . 17040 1 162 . 1 1 23 23 VAL HG22 H 1 0.901 0.02 . 2 . . . . 245 VAL HG21 . 17040 1 163 . 1 1 23 23 VAL HG23 H 1 0.901 0.02 . 2 . . . . 245 VAL HG21 . 17040 1 164 . 1 1 24 24 PHE H H 1 8.177 0.02 . 1 . . . . 246 PHE HN . 17040 1 165 . 1 1 24 24 PHE HA H 1 4.179 0.02 . 1 . . . . 246 PHE HA . 17040 1 166 . 1 1 24 24 PHE HB2 H 1 3.233 0.02 . 2 . . . . 246 PHE HB1 . 17040 1 167 . 1 1 24 24 PHE HB3 H 1 3.206 0.02 . 2 . . . . 246 PHE HB2 . 17040 1 168 . 1 1 24 24 PHE HD1 H 1 7.173 0.02 . 3 . . . . 246 PHE HD1 . 17040 1 169 . 1 1 24 24 PHE HE1 H 1 7.115 0.02 . 3 . . . . 246 PHE HE1 . 17040 1 170 . 1 1 24 24 PHE HZ H 1 6.972 0.02 . 1 . . . . 246 PHE HZ . 17040 1 171 . 1 1 25 25 GLU H H 1 8.677 0.02 . 1 . . . . 247 GLU HN . 17040 1 172 . 1 1 25 25 GLU HA H 1 4.096 0.02 . 1 . . . . 247 GLU HA . 17040 1 173 . 1 1 25 25 GLU HB2 H 1 2.241 0.02 . 2 . . . . 247 GLU HB1 . 17040 1 174 . 1 1 25 25 GLU HB3 H 1 2.167 0.02 . 2 . . . . 247 GLU HB2 . 17040 1 175 . 1 1 25 25 GLU HG2 H 1 2.626 0.02 . 2 . . . . 247 GLU HG1 . 17040 1 176 . 1 1 25 25 GLU HG3 H 1 2.540 0.02 . 2 . . . . 247 GLU HG2 . 17040 1 177 . 1 1 26 26 GLU H H 1 7.923 0.02 . 1 . . . . 248 GLU HN . 17040 1 178 . 1 1 26 26 GLU HA H 1 4.148 0.02 . 1 . . . . 248 GLU HA . 17040 1 179 . 1 1 26 26 GLU HB2 H 1 2.279 0.02 . 2 . . . . 248 GLU HB1 . 17040 1 180 . 1 1 26 26 GLU HB3 H 1 2.183 0.02 . 2 . . . . 248 GLU HB2 . 17040 1 181 . 1 1 26 26 GLU HG2 H 1 2.463 0.02 . 2 . . . . 248 GLU HG1 . 17040 1 182 . 1 1 27 27 ILE H H 1 8.037 0.02 . 1 . . . . 249 ILE HN . 17040 1 183 . 1 1 27 27 ILE HA H 1 3.723 0.02 . 1 . . . . 249 ILE HA . 17040 1 184 . 1 1 27 27 ILE HB H 1 1.912 0.02 . 1 . . . . 249 ILE HB . 17040 1 185 . 1 1 27 27 ILE HD11 H 1 0.792 0.02 . 1 . . . . 249 ILE HD11 . 17040 1 186 . 1 1 27 27 ILE HD12 H 1 0.792 0.02 . 1 . . . . 249 ILE HD11 . 17040 1 187 . 1 1 27 27 ILE HD13 H 1 0.792 0.02 . 1 . . . . 249 ILE HD11 . 17040 1 188 . 1 1 27 27 ILE HG12 H 1 1.784 0.02 . 2 . . . . 249 ILE HG11 . 17040 1 189 . 1 1 27 27 ILE HG13 H 1 1.114 0.02 . 2 . . . . 249 ILE HG12 . 17040 1 190 . 1 1 27 27 ILE HG21 H 1 0.852 0.02 . 1 . . . . 249 ILE HG21 . 17040 1 191 . 1 1 27 27 ILE HG22 H 1 0.852 0.02 . 1 . . . . 249 ILE HG21 . 17040 1 192 . 1 1 27 27 ILE HG23 H 1 0.852 0.02 . 1 . . . . 249 ILE HG21 . 17040 1 193 . 1 1 28 28 HIS H H 1 8.333 0.02 . 1 . . . . 250 HIS HN . 17040 1 194 . 1 1 28 28 HIS HA H 1 4.332 0.02 . 1 . . . . 250 HIS HA . 17040 1 195 . 1 1 28 28 HIS HB2 H 1 3.281 0.02 . 2 . . . . 250 HIS HB1 . 17040 1 196 . 1 1 28 28 HIS HB3 H 1 2.905 0.02 . 2 . . . . 250 HIS HB2 . 17040 1 197 . 1 1 28 28 HIS HD2 H 1 7.208 0.02 . 1 . . . . 250 HIS HD2 . 17040 1 198 . 1 1 28 28 HIS HE1 H 1 8.586 0.02 . 1 . . . . 250 HIS HE1 . 17040 1 199 . 1 1 29 29 LYS H H 1 7.948 0.02 . 1 . . . . 251 LYS HN . 17040 1 200 . 1 1 29 29 LYS HA H 1 4.002 0.02 . 1 . . . . 251 LYS HA . 17040 1 201 . 1 1 29 29 LYS HB2 H 1 1.870 0.02 . 2 . . . . 251 LYS HB1 . 17040 1 202 . 1 1 29 29 LYS HD2 H 1 1.670 0.02 . 2 . . . . 251 LYS HD1 . 17040 1 203 . 1 1 29 29 LYS HE2 H 1 2.958 0.02 . 2 . . . . 251 LYS HE1 . 17040 1 204 . 1 1 29 29 LYS HG2 H 1 1.525 0.02 . 2 . . . . 251 LYS HG1 . 17040 1 205 . 1 1 29 29 LYS HG3 H 1 1.411 0.02 . 2 . . . . 251 LYS HG2 . 17040 1 206 . 1 1 30 30 LYS H H 1 7.913 0.02 . 1 . . . . 252 LYS HN . 17040 1 207 . 1 1 30 30 LYS HA H 1 4.178 0.02 . 1 . . . . 252 LYS HA . 17040 1 208 . 1 1 30 30 LYS HB2 H 1 1.865 0.02 . 2 . . . . 252 LYS HB1 . 17040 1 209 . 1 1 30 30 LYS HD2 H 1 1.672 0.02 . 2 . . . . 252 LYS HD1 . 17040 1 210 . 1 1 30 30 LYS HG2 H 1 1.509 0.02 . 2 . . . . 252 LYS HG1 . 17040 1 211 . 1 1 31 31 LYS H H 1 8.118 0.02 . 1 . . . . 253 LYS HN . 17040 1 212 . 1 1 31 31 LYS HA H 1 4.234 0.02 . 1 . . . . 253 LYS HA . 17040 1 213 . 1 1 31 31 LYS HB2 H 1 1.861 0.02 . 2 . . . . 253 LYS HB1 . 17040 1 214 . 1 1 31 31 LYS HB3 H 1 1.772 0.02 . 2 . . . . 253 LYS HB2 . 17040 1 215 . 1 1 31 31 LYS HD2 H 1 1.671 0.02 . 2 . . . . 253 LYS HD1 . 17040 1 216 . 1 1 31 31 LYS HG2 H 1 1.457 0.02 . 2 . . . . 253 LYS HG1 . 17040 1 stop_ save_