################################### # 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 25162 _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 1H-1H TOCSY' . . . 25162 1 2 '2D 1H-1H NOESY' . . . 25162 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 GLY HA2 H 1 3.8159 0.02 . 2 . . . . 1 GLY HA . 25162 1 2 . 1 1 1 1 GLY HA3 H 1 3.8159 0.02 . 2 . . . . 1 GLY HA . 25162 1 3 . 1 1 2 2 ASP H H 1 8.6498 0.02 . 1 . . . . 2 ASP H . 25162 1 4 . 1 1 2 2 ASP HA H 1 4.7394 0.02 . 1 . . . . 2 ASP HA . 25162 1 5 . 1 1 2 2 ASP HB3 H 1 2.6351 0.02 . 2 . . . . 2 ASP HB2 . 25162 1 6 . 1 1 2 2 ASP HB2 H 1 2.7733 0.02 . 2 . . . . 2 ASP HB1 . 25162 1 7 . 1 1 3 3 VAL H H 1 8.2056 0.02 . 1 . . . . 3 VAL H . 25162 1 8 . 1 1 3 3 VAL HA H 1 4.1216 0.02 . 1 . . . . 3 VAL HA . 25162 1 9 . 1 1 3 3 VAL HB H 1 2.0494 0.02 . 1 . . . . 3 VAL HB . 25162 1 10 . 1 1 3 3 VAL HG11 H 1 0.9170 0.02 . 2 . . . . 3 VAL HG11 . 25162 1 11 . 1 1 3 3 VAL HG12 H 1 0.9170 0.02 . 2 . . . . 3 VAL HG11 . 25162 1 12 . 1 1 3 3 VAL HG13 H 1 0.9170 0.02 . 2 . . . . 3 VAL HG11 . 25162 1 13 . 1 1 4 4 MET H H 1 8.3933 0.02 . 1 . . . . 4 MET H . 25162 1 14 . 1 1 4 4 MET HB3 H 1 1.9682 0.02 . 2 . . . . 4 MET HB2 . 25162 1 15 . 1 1 4 4 MET HB2 H 1 2.0526 0.02 . 2 . . . . 4 MET HB1 . 25162 1 16 . 1 1 4 4 MET HG3 H 1 2.5445 0.02 . 2 . . . . 4 MET HG2 . 25162 1 17 . 1 1 4 4 MET HG2 H 1 2.6227 0.02 . 2 . . . . 4 MET HG1 . 25162 1 18 . 1 1 5 5 PRO HA H 1 4.4339 0.02 . 1 . . . . 5 PRO HA . 25162 1 19 . 1 1 5 5 PRO HB2 H 1 1.9802 0.02 . 2 . . . . 5 PRO HB1 . 25162 1 20 . 1 1 5 5 PRO HG2 H 1 2.3088 0.02 . 2 . . . . 5 PRO HG1 . 25162 1 21 . 1 1 5 5 PRO HD3 H 1 3.7086 0.02 . 2 . . . . 5 PRO HD2 . 25162 1 22 . 1 1 5 5 PRO HD2 H 1 3.8138 0.02 . 2 . . . . 5 PRO HD1 . 25162 1 23 . 1 1 6 6 GLU H H 1 8.6550 0.02 . 1 . . . . 6 GLU H . 25162 1 24 . 1 1 6 6 GLU HA H 1 4.2935 0.02 . 1 . . . . 6 GLU HA . 25162 1 25 . 1 1 6 6 GLU HB2 H 1 2.0374 0.02 . 2 . . . . 6 GLU HB1 . 25162 1 26 . 1 1 6 6 GLU HG3 H 1 2.1707 0.02 . 2 . . . . 6 GLU HG2 . 25162 1 27 . 1 1 6 6 GLU HG2 H 1 2.4771 0.02 . 2 . . . . 6 GLU HG1 . 25162 1 28 . 1 1 7 7 ALA H H 1 8.0097 0.02 . 1 . . . . 7 ALA H . 25162 1 29 . 1 1 7 7 ALA HA H 1 4.5910 0.02 . 1 . . . . 7 ALA HA . 25162 1 30 . 1 1 7 7 ALA HB1 H 1 3.3376 0.02 . 1 . . . . 7 ALA HB1 . 25162 1 31 . 1 1 7 7 ALA HB3 H 1 3.3376 0.02 . 1 . . . . 7 ALA HB1 . 25162 1 32 . 1 1 7 7 ALA HB2 H 1 3.3376 0.02 . 1 . . . . 7 ALA HB1 . 25162 1 33 . 1 1 8 8 DBU H H 1 9.3809 0.02 . 1 . . . . 8 DBU H . 25162 1 34 . 1 1 8 8 DBU HB H 1 5.8416 0.02 . 1 . . . . 8 DBU HB . 25162 1 35 . 1 1 8 8 DBU HG21 H 1 1.7927 0.02 . 1 . . . . 8 DBU HG21 . 25162 1 36 . 1 1 9 9 PRO HA H 1 4.3571 0.02 . 1 . . . . 9 PRO HA . 25162 1 37 . 1 1 9 9 PRO HB3 H 1 2.0464 0.02 . 2 . . . . 9 PRO HB2 . 25162 1 38 . 1 1 9 9 PRO HB2 H 1 2.3528 0.02 . 2 . . . . 9 PRO HB1 . 25162 1 39 . 1 1 9 9 PRO HG3 H 1 1.9760 0.02 . 2 . . . . 9 PRO HG2 . 25162 1 40 . 1 1 9 9 PRO HG2 H 1 2.1124 0.02 . 2 . . . . 9 PRO HG1 . 25162 1 41 . 1 1 9 9 PRO HD3 H 1 3.7434 0.02 . 2 . . . . 9 PRO HD2 . 25162 1 42 . 1 1 9 9 PRO HD2 H 1 3.9817 0.02 . 2 . . . . 9 PRO HD1 . 25162 1 43 . 1 1 10 10 ILE H H 1 7.4369 0.02 . 1 . . . . 10 ILE H . 25162 1 44 . 1 1 10 10 ILE HA H 1 4.0518 0.02 . 1 . . . . 10 ILE HA . 25162 1 45 . 1 1 10 10 ILE HB H 1 2.1654 0.02 . 1 . . . . 10 ILE HB . 25162 1 46 . 1 1 10 10 ILE HG12 H 1 1.3199 0.02 . 2 . . . . 10 ILE HG12 . 25162 1 47 . 1 1 10 10 ILE HG13 H 1 1.5792 0.02 . 2 . . . . 10 ILE HG13 . 25162 1 48 . 1 1 10 10 ILE HD11 H 1 0.9020 0.02 . 1 . . . . 10 ILE HD11 . 25162 1 49 . 1 1 10 10 ILE HD13 H 1 0.9020 0.02 . 1 . . . . 10 ILE HD11 . 25162 1 50 . 1 1 10 10 ILE HD12 H 1 0.9020 0.02 . 1 . . . . 10 ILE HD11 . 25162 1 51 . 1 1 10 10 ILE HG21 H 1 0.9641 0.02 . 1 . . . . 10 ILE HG21 . 25162 1 52 . 1 1 10 10 ILE HG23 H 1 0.9641 0.02 . 1 . . . . 10 ILE HG21 . 25162 1 53 . 1 1 10 10 ILE HG22 H 1 0.9641 0.02 . 1 . . . . 10 ILE HG21 . 25162 1 54 . 1 1 11 11 CYS H H 1 7.4814 0.02 . 1 . . . . 11 CYS H . 25162 1 55 . 1 1 11 11 CYS HA H 1 4.3802 0.02 . 1 . . . . 11 CYS HA . 25162 1 56 . 1 1 11 11 CYS HB2 H 1 2.8407 0.02 . 2 . . . . 11 CYS HB2 . 25162 1 57 . 1 1 11 11 CYS HB3 H 1 3.0755 0.02 . 2 . . . . 11 CYS HB3 . 25162 1 58 . 1 1 12 12 ALA H H 1 7.8070 0.02 . 1 . . . . 12 ALA H . 25162 1 59 . 1 1 12 12 ALA HA H 1 4.1458 0.02 . 1 . . . . 12 ALA HA . 25162 1 60 . 1 1 12 12 ALA HB1 H 1 1.3607 0.02 . 1 . . . . 12 ALA HB1 . 25162 1 61 . 1 1 12 12 ALA HB3 H 1 1.3607 0.02 . 1 . . . . 12 ALA HB1 . 25162 1 62 . 1 1 12 12 ALA HB2 H 1 1.3607 0.02 . 1 . . . . 12 ALA HB1 . 25162 1 63 . 1 1 13 13 GLY H H 1 7.9208 0.02 . 1 . . . . 13 GLY H . 25162 1 64 . 1 1 13 13 GLY HA3 H 1 3.8540 0.02 . 2 . . . . 13 GLY HA . 25162 1 65 . 1 1 13 13 GLY HA2 H 1 3.8540 0.02 . 2 . . . . 13 GLY HA . 25162 1 66 . 1 1 14 14 PHE H H 1 7.8173 0.02 . 1 . . . . 14 PHE H . 25162 1 67 . 1 1 14 14 PHE HA H 1 4.5701 0.02 . 1 . . . . 14 PHE HA . 25162 1 68 . 1 1 14 14 PHE HB2 H 1 3.0163 0.02 . 2 . . . . 14 PHE HB2 . 25162 1 69 . 1 1 14 14 PHE HB3 H 1 3.1843 0.02 . 2 . . . . 14 PHE HB3 . 25162 1 70 . 1 1 14 14 PHE HD1 H 1 7.2266 0.02 . 3 . . . . 14 PHE HD1 . 25162 1 71 . 1 1 14 14 PHE HE1 H 1 7.2610 0.02 . 3 . . . . 14 PHE HE1 . 25162 1 72 . 1 1 14 14 PHE HZ H 1 7.3088 0.02 . 1 . . . . 14 PHE HZ . 25162 1 73 . 1 1 15 15 ALA H H 1 7.9820 0.02 . 1 . . . . 15 ALA H . 25162 1 74 . 1 1 15 15 ALA HA H 1 4.2628 0.02 . 1 . . . . 15 ALA HA . 25162 1 75 . 1 1 15 15 ALA HB3 H 1 1.3786 0.02 . 1 . . . . 15 ALA HB1 . 25162 1 76 . 1 1 15 15 ALA HB2 H 1 1.3786 0.02 . 1 . . . . 15 ALA HB1 . 25162 1 77 . 1 1 15 15 ALA HB1 H 1 1.3786 0.02 . 1 . . . . 15 ALA HB1 . 25162 1 78 . 1 1 16 16 DBB H H 1 7.9311 0.02 . 1 . . . . 16 DBB H . 25162 1 79 . 1 1 16 16 DBB HA H 1 4.0994 0.02 . 1 . . . . 16 DBB HA . 25162 1 80 . 1 1 16 16 DBB HG1 H 1 0.9237 0.02 . 1 . . . . 16 DBB HG1 . 25162 1 81 . 1 1 17 17 LEU H H 1 8.1848 0.02 . 1 . . . . 17 LEU H . 25162 1 82 . 1 1 17 17 LEU HA H 1 4.3366 0.02 . 1 . . . . 17 LEU HA . 25162 1 83 . 1 1 17 17 LEU HB2 H 1 1.6449 0.02 . 2 . . . . 17 LEU HB . 25162 1 84 . 1 1 17 17 LEU HB3 H 1 1.6449 0.02 . 2 . . . . 17 LEU HB . 25162 1 85 . 1 1 17 17 LEU HG H 1 1.5810 0.02 . 1 . . . . 17 LEU HG . 25162 1 86 . 1 1 17 17 LEU HD13 H 1 0.8550 0.02 . 2 . . . . 17 LEU HD11 . 25162 1 87 . 1 1 17 17 LEU HD12 H 1 0.8550 0.02 . 2 . . . . 17 LEU HD11 . 25162 1 88 . 1 1 17 17 LEU HD11 H 1 0.8550 0.02 . 2 . . . . 17 LEU HD11 . 25162 1 89 . 1 1 18 18 MET H H 1 8.2487 0.02 . 1 . . . . 18 MET H . 25162 1 90 . 1 1 18 18 MET HA H 1 4.3974 0.02 . 1 . . . . 18 MET HA . 25162 1 91 . 1 1 18 18 MET HB2 H 1 2.0379 0.02 . 2 . . . . 18 MET HB2 . 25162 1 92 . 1 1 18 18 MET HB3 H 1 2.0379 0.02 . 2 . . . . 18 MET HB3 . 25162 1 93 . 1 1 18 18 MET HG2 H 1 2.4752 0.02 . 2 . . . . 18 MET HG2 . 25162 1 94 . 1 1 18 18 MET HG3 H 1 2.5611 0.02 . 2 . . . . 18 MET HG3 . 25162 1 95 . 1 1 19 19 DAL H H 1 8.2251 0.02 . 1 . . . . 19 DAL H . 25162 1 96 . 1 1 19 19 DAL HA H 1 4.3134 0.02 . 1 . . . . 19 DAL HA . 25162 1 97 . 1 1 19 19 DAL HB1 H 1 1.4072 0.02 . 1 . . . . 19 DAL HB1 . 25162 1 98 . 1 1 20 20 DHA H H 1 9.6149 0.02 . 1 . . . . 20 DHA H . 25162 1 99 . 1 1 20 20 DHA HB2 H 1 5.5998 0.02 . 2 . . . . 20 DHA HB2 . 25162 1 100 . 1 1 20 20 DHA HB1 H 1 5.7010 0.02 . 2 . . . . 20 DHA HB1 . 25162 1 101 . 1 1 21 21 ILE H H 1 8.0684 0.02 . 1 . . . . 21 ILE H . 25162 1 102 . 1 1 21 21 ILE HA H 1 4.1386 0.02 . 1 . . . . 21 ILE HA . 25162 1 103 . 1 1 21 21 ILE HB H 1 1.9395 0.02 . 1 . . . . 21 ILE HB . 25162 1 104 . 1 1 21 21 ILE HG13 H 1 1.2518 0.02 . 2 . . . . 21 ILE HG12 . 25162 1 105 . 1 1 21 21 ILE HG12 H 1 1.5194 0.02 . 2 . . . . 21 ILE HG11 . 25162 1 106 . 1 1 21 21 ILE HD13 H 1 0.8613 0.02 . 1 . . . . 21 ILE HD11 . 25162 1 107 . 1 1 21 21 ILE HD12 H 1 0.8613 0.02 . 1 . . . . 21 ILE HD11 . 25162 1 108 . 1 1 21 21 ILE HD11 H 1 0.8613 0.02 . 1 . . . . 21 ILE HD11 . 25162 1 109 . 1 1 21 21 ILE HG21 H 1 0.9391 0.02 . 1 . . . . 21 ILE HG21 . 25162 1 110 . 1 1 21 21 ILE HG23 H 1 0.9391 0.02 . 1 . . . . 21 ILE HG21 . 25162 1 111 . 1 1 21 21 ILE HG22 H 1 0.9391 0.02 . 1 . . . . 21 ILE HG21 . 25162 1 112 . 1 1 22 22 GLY H H 1 8.3534 0.02 . 1 . . . . 22 GLY H . 25162 1 113 . 1 1 22 22 GLY HA2 H 1 3.8996 0.02 . 2 . . . . 22 GLY HA1 . 25162 1 114 . 1 1 23 23 LEU H H 1 7.8137 0.02 . 1 . . . . 23 LEU H . 25162 1 115 . 1 1 23 23 LEU HA H 1 4.3419 0.02 . 1 . . . . 23 LEU HA . 25162 1 116 . 1 1 23 23 LEU HB3 H 1 1.5596 0.02 . 2 . . . . 23 LEU HB2 . 25162 1 117 . 1 1 23 23 LEU HB2 H 1 1.6024 0.02 . 2 . . . . 23 LEU HB1 . 25162 1 118 . 1 1 23 23 LEU HG H 1 1.5596 0.02 . 1 . . . . 23 LEU HG . 25162 1 119 . 1 1 23 23 LEU HD13 H 1 0.8457 0.02 . 2 . . . . 23 LEU HD11 . 25162 1 120 . 1 1 23 23 LEU HD12 H 1 0.8457 0.02 . 2 . . . . 23 LEU HD11 . 25162 1 121 . 1 1 23 23 LEU HD11 H 1 0.8457 0.02 . 2 . . . . 23 LEU HD11 . 25162 1 122 . 1 1 24 24 VAL H H 1 7.8267 0.02 . 1 . . . . 24 VAL H . 25162 1 123 . 1 1 24 24 VAL HA H 1 4.0752 0.02 . 1 . . . . 24 VAL HA . 25162 1 124 . 1 1 24 24 VAL HB H 1 2.0845 0.02 . 1 . . . . 24 VAL HB . 25162 1 125 . 1 1 24 24 VAL HG12 H 1 0.9356 0.02 . 2 . . . . 24 VAL HG11 . 25162 1 126 . 1 1 24 24 VAL HG13 H 1 0.9356 0.02 . 2 . . . . 24 VAL HG11 . 25162 1 127 . 1 1 24 24 VAL HG11 H 1 0.9356 0.02 . 2 . . . . 24 VAL HG11 . 25162 1 128 . 1 1 25 25 LYS H H 1 8.2324 0.02 . 1 . . . . 25 LYS H . 25162 1 129 . 1 1 25 25 LYS HA H 1 4.3840 0.02 . 1 . . . . 25 LYS HA . 25162 1 130 . 1 1 25 25 LYS HB2 H 1 1.8016 0.02 . 2 . . . . 25 LYS HB1 . 25162 1 131 . 1 1 26 26 DBB H H 1 8.3247 0.02 . 1 . . . . 26 DBB H . 25162 1 132 . 1 1 26 26 DBB HA H 1 4.4237 0.02 . 1 . . . . 26 DBB HA . 25162 1 133 . 1 1 26 26 DBB HB H 1 3.5055 0.02 . 1 . . . . 26 DBB HB . 25162 1 134 . 1 1 26 26 DBB HG21 H 1 1.3022 0.02 . 1 . . . . 26 DBB HG21 . 25162 1 135 . 1 1 27 27 ILE H H 1 7.8351 0.02 . 1 . . . . 27 ILE H . 25162 1 136 . 1 1 27 27 ILE HA H 1 4.0132 0.02 . 1 . . . . 27 ILE HA . 25162 1 137 . 1 1 27 27 ILE HB H 1 1.8512 0.02 . 1 . . . . 27 ILE HB . 25162 1 138 . 1 1 27 27 ILE HG12 H 1 1.4599 0.02 . 2 . . . . 27 ILE HG11 . 25162 1 139 . 1 1 27 27 ILE HD11 H 1 0.8550 0.02 . 1 . . . . 27 ILE HD11 . 25162 1 140 . 1 1 27 27 ILE HD12 H 1 0.8550 0.02 . 1 . . . . 27 ILE HD11 . 25162 1 141 . 1 1 27 27 ILE HD13 H 1 0.8550 0.02 . 1 . . . . 27 ILE HD11 . 25162 1 142 . 1 1 27 27 ILE HG23 H 1 0.9315 0.02 . 1 . . . . 27 ILE HG21 . 25162 1 143 . 1 1 27 27 ILE HG22 H 1 0.9315 0.02 . 1 . . . . 27 ILE HG21 . 25162 1 144 . 1 1 27 27 ILE HG21 H 1 0.9315 0.02 . 1 . . . . 27 ILE HG21 . 25162 1 145 . 1 1 28 28 LYS H H 1 8.3795 0.02 . 1 . . . . 28 LYS H . 25162 1 146 . 1 1 28 28 LYS HA H 1 4.1188 0.02 . 1 . . . . 28 LYS HA . 25162 1 147 . 1 1 28 28 LYS HB2 H 1 1.4963 0.02 . 2 . . . . 28 LYS HB1 . 25162 1 148 . 1 1 28 28 LYS HG3 H 1 1.4124 0.02 . 2 . . . . 28 LYS HG2 . 25162 1 149 . 1 1 28 28 LYS HG2 H 1 1.7810 0.02 . 2 . . . . 28 LYS HG1 . 25162 1 150 . 1 1 28 28 LYS HD2 H 1 1.6795 0.02 . 2 . . . . 28 LYS HD1 . 25162 1 151 . 1 1 28 28 LYS HE2 H 1 2.9784 0.02 . 2 . . . . 28 LYS HE1 . 25162 1 152 . 1 1 29 29 GLY H H 1 8.6371 0.02 . 1 . . . . 29 GLY H . 25162 1 153 . 1 1 29 29 GLY HA3 H 1 3.7262 0.02 . 2 . . . . 29 GLY HA2 . 25162 1 154 . 1 1 29 29 GLY HA2 H 1 4.2271 0.02 . 2 . . . . 29 GLY HA1 . 25162 1 155 . 1 1 30 30 LYS H H 1 8.2650 0.02 . 1 . . . . 30 LYS H . 25162 1 156 . 1 1 30 30 LYS HA H 1 4.5367 0.02 . 1 . . . . 30 LYS HA . 25162 1 157 . 1 1 30 30 LYS HB3 H 1 1.4028 0.02 . 2 . . . . 30 LYS HB2 . 25162 1 158 . 1 1 30 30 LYS HB2 H 1 1.7654 0.02 . 2 . . . . 30 LYS HB1 . 25162 1 159 . 1 1 30 30 LYS HG2 H 1 1.9575 0.02 . 2 . . . . 30 LYS HG1 . 25162 1 160 . 1 1 30 30 LYS HD3 H 1 1.3485 0.02 . 2 . . . . 30 LYS HD2 . 25162 1 161 . 1 1 30 30 LYS HD2 H 1 1.6668 0.02 . 2 . . . . 30 LYS HD1 . 25162 1 162 . 1 1 30 30 LYS HE2 H 1 2.9897 0.02 . 2 . . . . 30 LYS HE1 . 25162 1 163 . 1 1 31 31 CYS H H 1 7.8583 0.02 . 1 . . . . 31 CYS H . 25162 1 164 . 1 1 31 31 CYS HA H 1 4.3437 0.02 . 1 . . . . 31 CYS HA . 25162 1 165 . 1 1 31 31 CYS HB3 H 1 2.9194 0.02 . 2 . . . . 31 CYS HB2 . 25162 1 166 . 1 1 31 31 CYS HB2 H 1 3.1758 0.02 . 2 . . . . 31 CYS HB1 . 25162 1 stop_ save_