################################### # 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 16769 _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' . . . 16769 1 2 '2D 1H-1H NOESY' . . . 16769 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 H H 1 8.8891 . . 1 .02 . . . 2 LYS HN . 16769 1 2 . 1 1 2 2 LYS HA H 1 4.1500 . . 1 .02 . . . 2 LYS HA . 16769 1 3 . 1 1 2 2 LYS HB2 H 1 2.3619 . . 2 .02 . . . 2 LYS HB1 . 16769 1 4 . 1 1 2 2 LYS HB3 H 1 2.2135 . . 2 .02 . . . 2 LYS HB2 . 16769 1 5 . 1 1 2 2 LYS HD2 H 1 1.8356 . . 2 .02 . . . 2 LYS HD1 . 16769 1 6 . 1 1 2 2 LYS HD3 H 1 1.8447 . . 2 .02 . . . 2 LYS HD2 . 16769 1 7 . 1 1 2 2 LYS HE2 H 1 2.6444 . . 2 .02 . . . 2 LYS HE1 . 16769 1 8 . 1 1 2 2 LYS HE3 H 1 2.7036 . . 2 .02 . . . 2 LYS HE2 . 16769 1 9 . 1 1 2 2 LYS HG2 H 1 1.8551 . . 2 .02 . . . 2 LYS HG2 . 16769 1 10 . 1 1 3 3 ASP H H 1 8.5214 . . 1 .02 . . . 3 ASP HN . 16769 1 11 . 1 1 3 3 ASP HA H 1 4.3407 . . 1 .02 . . . 3 ASP HA . 16769 1 12 . 1 1 3 3 ASP HB2 H 1 2.9044 . . 2 .02 . . . 3 ASP HB1 . 16769 1 13 . 1 1 3 3 ASP HB3 H 1 2.8992 . . 2 .02 . . . 3 ASP HB2 . 16769 1 14 . 1 1 4 4 LEU H H 1 8.3976 . . 1 .02 . . . 4 LEU HN . 16769 1 15 . 1 1 4 4 LEU HA H 1 4.1147 . . 1 .02 . . . 4 LEU HA . 16769 1 16 . 1 1 4 4 LEU HB2 H 1 1.6401 . . 2 .02 . . . 4 LEU HB1 . 16769 1 17 . 1 1 4 4 LEU HB3 H 1 1.6416 . . 2 .02 . . . 4 LEU HB2 . 16769 1 18 . 1 1 4 4 LEU HD11 H 1 0.9843 . . 2 .02 . . . 4 LEU HD11 . 16769 1 19 . 1 1 4 4 LEU HD12 H 1 0.9843 . . 2 .02 . . . 4 LEU HD11 . 16769 1 20 . 1 1 4 4 LEU HD13 H 1 0.9843 . . 2 .02 . . . 4 LEU HD11 . 16769 1 21 . 1 1 5 5 MET H H 1 8.3979 . . 1 .02 . . . 5 MET HN . 16769 1 22 . 1 1 5 5 MET HA H 1 4.2004 . . 1 .02 . . . 5 MET HA . 16769 1 23 . 1 1 5 5 MET HB2 H 1 2.6294 . . 2 .02 . . . 5 MET HB2 . 16769 1 24 . 1 1 5 5 MET HG2 H 1 2.6243 . . 2 .02 . . . 5 MET HG2 . 16769 1 25 . 1 1 6 6 SER H H 1 7.9205 . . 1 .02 . . . 6 SER HN . 16769 1 26 . 1 1 6 6 SER HA H 1 4.1158 . . 1 .02 . . . 6 SER HA . 16769 1 27 . 1 1 6 6 SER HB2 H 1 3.8539 . . 2 .02 . . . 6 SER HB1 . 16769 1 28 . 1 1 6 6 SER HB3 H 1 3.4910 . . 2 .02 . . . 6 SER HB2 . 16769 1 29 . 1 1 7 7 LEU H H 1 8.0009 . . 1 .02 . . . 7 LEU HN . 16769 1 30 . 1 1 7 7 LEU HA H 1 4.5180 . . 1 .02 . . . 7 LEU HA . 16769 1 31 . 1 1 7 7 LEU HB2 H 1 1.8324 . . 2 .02 . . . 7 LEU HB2 . 16769 1 32 . 1 1 7 7 LEU HD11 H 1 1.3453 . . 2 .02 . . . 7 LEU HD11 . 16769 1 33 . 1 1 7 7 LEU HD12 H 1 1.3453 . . 2 .02 . . . 7 LEU HD11 . 16769 1 34 . 1 1 7 7 LEU HD13 H 1 1.3453 . . 2 .02 . . . 7 LEU HD11 . 16769 1 35 . 1 1 7 7 LEU HD21 H 1 1.0206 . . 2 .02 . . . 7 LEU HD21 . 16769 1 36 . 1 1 7 7 LEU HD22 H 1 1.0206 . . 2 .02 . . . 7 LEU HD21 . 16769 1 37 . 1 1 7 7 LEU HD23 H 1 1.0206 . . 2 .02 . . . 7 LEU HD21 . 16769 1 38 . 1 1 7 7 LEU HG H 1 1.7714 . . 1 .02 . . . 7 LEU HG . 16769 1 39 . 1 1 8 8 VAL H H 1 7.0914 . . 1 .02 . . . 8 VAL HN . 16769 1 40 . 1 1 8 8 VAL HA H 1 3.9441 . . 1 .02 . . . 8 VAL HA . 16769 1 41 . 1 1 8 8 VAL HB H 1 2.0543 . . 1 .02 . . . 8 VAL HB . 16769 1 42 . 1 1 8 8 VAL HG11 H 1 0.9724 . . 2 .02 . . . 8 VAL HG11 . 16769 1 43 . 1 1 8 8 VAL HG12 H 1 0.9724 . . 2 .02 . . . 8 VAL HG11 . 16769 1 44 . 1 1 8 8 VAL HG13 H 1 0.9724 . . 2 .02 . . . 8 VAL HG11 . 16769 1 45 . 1 1 8 8 VAL HG21 H 1 1.0450 . . 2 .02 . . . 8 VAL HG21 . 16769 1 46 . 1 1 8 8 VAL HG22 H 1 1.0450 . . 2 .02 . . . 8 VAL HG21 . 16769 1 47 . 1 1 8 8 VAL HG23 H 1 1.0450 . . 2 .02 . . . 8 VAL HG21 . 16769 1 48 . 1 1 9 9 ILE H H 1 7.7989 . . 1 .02 . . . 9 ILE HN . 16769 1 49 . 1 1 9 9 ILE HA H 1 3.9385 . . 1 .02 . . . 9 ILE HA . 16769 1 50 . 1 1 9 9 ILE HB H 1 1.6495 . . 1 .02 . . . 9 ILE HB . 16769 1 51 . 1 1 9 9 ILE HD11 H 1 0.8744 . . 1 .02 . . . 9 ILE HD11 . 16769 1 52 . 1 1 9 9 ILE HD12 H 1 0.8744 . . 1 .02 . . . 9 ILE HD11 . 16769 1 53 . 1 1 9 9 ILE HD13 H 1 0.8744 . . 1 .02 . . . 9 ILE HD11 . 16769 1 54 . 1 1 9 9 ILE HG12 H 1 1.4779 . . 2 .02 . . . 9 ILE HG12 . 16769 1 55 . 1 1 9 9 ILE HG21 H 1 0.9051 . . 1 .02 . . . 9 ILE HG21 . 16769 1 56 . 1 1 9 9 ILE HG22 H 1 0.9051 . . 1 .02 . . . 9 ILE HG21 . 16769 1 57 . 1 1 9 9 ILE HG23 H 1 0.9051 . . 1 .02 . . . 9 ILE HG21 . 16769 1 58 . 1 1 10 10 ALA H H 1 8.1479 . . 1 .02 . . . 10 ALA HN . 16769 1 59 . 1 1 10 10 ALA HA H 1 4.3176 . . 1 .02 . . . 10 ALA HA . 16769 1 60 . 1 1 10 10 ALA HB1 H 1 1.5395 . . 1 .02 . . . 10 ALA HB1 . 16769 1 61 . 1 1 10 10 ALA HB2 H 1 1.5395 . . 1 .02 . . . 10 ALA HB1 . 16769 1 62 . 1 1 10 10 ALA HB3 H 1 1.5395 . . 1 .02 . . . 10 ALA HB1 . 16769 1 63 . 1 1 11 11 PRO HA H 1 4.2371 . . 1 .02 . . . 11 PRO HA . 16769 1 64 . 1 1 11 11 PRO HB2 H 1 1.8974 . . 2 .02 . . . 11 PRO HB2 . 16769 1 65 . 1 1 11 11 PRO HD2 H 1 3.0039 . . 2 .02 . . . 11 PRO HD2 . 16769 1 66 . 1 1 11 11 PRO HG2 H 1 1.7611 . . 2 .02 . . . 11 PRO HG1 . 16769 1 67 . 1 1 11 11 PRO HG3 H 1 1.8322 . . 2 .02 . . . 11 PRO HG2 . 16769 1 68 . 1 1 12 12 ILE H H 1 7.0619 . . 1 .02 . . . 12 ILE HN . 16769 1 69 . 1 1 12 12 ILE HA H 1 3.6612 . . 1 .02 . . . 12 ILE HA . 16769 1 70 . 1 1 12 12 ILE HB H 1 2.0442 . . 1 .02 . . . 12 ILE HB . 16769 1 71 . 1 1 12 12 ILE HD11 H 1 0.8363 . . 1 .02 . . . 12 ILE HD11 . 16769 1 72 . 1 1 12 12 ILE HD12 H 1 0.8363 . . 1 .02 . . . 12 ILE HD11 . 16769 1 73 . 1 1 12 12 ILE HD13 H 1 0.8363 . . 1 .02 . . . 12 ILE HD11 . 16769 1 74 . 1 1 12 12 ILE HG12 H 1 1.3140 . . 2 .02 . . . 12 ILE HG11 . 16769 1 75 . 1 1 12 12 ILE HG21 H 1 1.6498 . . 1 .02 . . . 12 ILE HG21 . 16769 1 76 . 1 1 12 12 ILE HG22 H 1 1.6498 . . 1 .02 . . . 12 ILE HG21 . 16769 1 77 . 1 1 12 12 ILE HG23 H 1 1.6498 . . 1 .02 . . . 12 ILE HG21 . 16769 1 78 . 1 1 13 13 PHE H H 1 8.4170 . . 1 .02 . . . 13 PHE HN . 16769 1 79 . 1 1 13 13 PHE HA H 1 4.1382 . . 1 .02 . . . 13 PHE HA . 16769 1 80 . 1 1 13 13 PHE HB2 H 1 3.0929 . . 2 .02 . . . 13 PHE HB1 . 16769 1 81 . 1 1 13 13 PHE HB3 H 1 3.2449 . . 2 .02 . . . 13 PHE HB2 . 16769 1 82 . 1 1 13 13 PHE HD1 H 1 7.0430 . . 3 .02 . . . 13 PHE HD1 . 16769 1 83 . 1 1 13 13 PHE HE1 H 1 7.0470 . . 3 .02 . . . 13 PHE HE1 . 16769 1 84 . 1 1 14 14 VAL H H 1 8.4011 . . 1 .02 . . . 14 VAL HN . 16769 1 85 . 1 1 14 14 VAL HA H 1 3.3130 . . 1 .02 . . . 14 VAL HA . 16769 1 86 . 1 1 14 14 VAL HB H 1 2.0926 . . 1 .02 . . . 14 VAL HB . 16769 1 87 . 1 1 14 14 VAL HG11 H 1 0.8806 . . 2 .02 . . . 14 VAL HG11 . 16769 1 88 . 1 1 14 14 VAL HG12 H 1 0.8806 . . 2 .02 . . . 14 VAL HG11 . 16769 1 89 . 1 1 14 14 VAL HG13 H 1 0.8806 . . 2 .02 . . . 14 VAL HG11 . 16769 1 90 . 1 1 14 14 VAL HG21 H 1 1.0324 . . 2 .02 . . . 14 VAL HG21 . 16769 1 91 . 1 1 14 14 VAL HG22 H 1 1.0324 . . 2 .02 . . . 14 VAL HG21 . 16769 1 92 . 1 1 14 14 VAL HG23 H 1 1.0324 . . 2 .02 . . . 14 VAL HG21 . 16769 1 93 . 1 1 15 15 GLY H H 1 8.1779 . . 1 .02 . . . 15 GLY HN . 16769 1 94 . 1 1 15 15 GLY HA2 H 1 3.9668 . . 2 .02 . . . 15 GLY HA1 . 16769 1 95 . 1 1 15 15 GLY HA3 H 1 4.0557 . . 2 .02 . . . 15 GLY HA2 . 16769 1 96 . 1 1 16 16 LEU H H 1 8.4872 . . 1 .02 . . . 16 LEU HN . 16769 1 97 . 1 1 16 16 LEU HA H 1 3.9848 . . 1 .02 . . . 16 LEU HA . 16769 1 98 . 1 1 16 16 LEU HB2 H 1 1.4383 . . 2 .02 . . . 16 LEU HB2 . 16769 1 99 . 1 1 16 16 LEU HD11 H 1 0.8243 . . 2 .02 . . . 16 LEU HD11 . 16769 1 100 . 1 1 16 16 LEU HD12 H 1 0.8243 . . 2 .02 . . . 16 LEU HD11 . 16769 1 101 . 1 1 16 16 LEU HD13 H 1 0.8243 . . 2 .02 . . . 16 LEU HD11 . 16769 1 102 . 1 1 17 17 VAL H H 1 8.0958 . . 1 .02 . . . 17 VAL HN . 16769 1 103 . 1 1 17 17 VAL HA H 1 3.3680 . . 1 .02 . . . 17 VAL HA . 16769 1 104 . 1 1 17 17 VAL HB H 1 2.0641 . . 1 .02 . . . 17 VAL HB . 16769 1 105 . 1 1 17 17 VAL HG11 H 1 0.6234 . . 2 .02 . . . 17 VAL HG11 . 16769 1 106 . 1 1 17 17 VAL HG12 H 1 0.6234 . . 2 .02 . . . 17 VAL HG11 . 16769 1 107 . 1 1 17 17 VAL HG13 H 1 0.6234 . . 2 .02 . . . 17 VAL HG11 . 16769 1 108 . 1 1 17 17 VAL HG21 H 1 0.7593 . . 2 .02 . . . 17 VAL HG21 . 16769 1 109 . 1 1 17 17 VAL HG22 H 1 0.7593 . . 2 .02 . . . 17 VAL HG21 . 16769 1 110 . 1 1 17 17 VAL HG23 H 1 0.7593 . . 2 .02 . . . 17 VAL HG21 . 16769 1 111 . 1 1 18 18 LEU H H 1 8.3486 . . 1 .02 . . . 18 LEU HN . 16769 1 112 . 1 1 18 18 LEU HA H 1 3.9821 . . 1 .02 . . . 18 LEU HA . 16769 1 113 . 1 1 18 18 LEU HB2 H 1 1.7909 . . 2 .02 . . . 18 LEU HB2 . 16769 1 114 . 1 1 18 18 LEU HD11 H 1 0.8191 . . 2 .02 . . . 18 LEU HD11 . 16769 1 115 . 1 1 18 18 LEU HD12 H 1 0.8191 . . 2 .02 . . . 18 LEU HD11 . 16769 1 116 . 1 1 18 18 LEU HD13 H 1 0.8191 . . 2 .02 . . . 18 LEU HD11 . 16769 1 117 . 1 1 18 18 LEU HG H 1 1.5839 . . 1 .02 . . . 18 LEU HG . 16769 1 118 . 1 1 19 19 GLU H H 1 7.8153 . . 1 .02 . . . 19 GLU HN . 16769 1 119 . 1 1 19 19 GLU HA H 1 3.9976 . . 1 .02 . . . 19 GLU HA . 16769 1 120 . 1 1 19 19 GLU HB2 H 1 1.8824 . . 2 .02 . . . 19 GLU HB1 . 16769 1 121 . 1 1 19 19 GLU HB3 H 1 2.1159 . . 2 .02 . . . 19 GLU HB2 . 16769 1 122 . 1 1 19 19 GLU HG2 H 1 1.9609 . . 2 .02 . . . 19 GLU HG1 . 16769 1 123 . 1 1 19 19 GLU HG3 H 1 2.2751 . . 2 .02 . . . 19 GLU HG2 . 16769 1 124 . 1 1 20 20 MET H H 1 8.3829 . . 1 .02 . . . 20 MET HN . 16769 1 125 . 1 1 20 20 MET HA H 1 4.1429 . . 1 .02 . . . 20 MET HA . 16769 1 126 . 1 1 20 20 MET HB2 H 1 2.2856 . . 2 .02 . . . 20 MET HB2 . 16769 1 127 . 1 1 20 20 MET HG2 H 1 2.5165 . . 2 .02 . . . 20 MET HG1 . 16769 1 128 . 1 1 20 20 MET HG3 H 1 2.7362 . . 2 .02 . . . 20 MET HG2 . 16769 1 129 . 1 1 21 21 ILE H H 1 7.9079 . . 1 .02 . . . 21 ILE HN . 16769 1 130 . 1 1 21 21 ILE HA H 1 4.2890 . . 1 .02 . . . 21 ILE HA . 16769 1 131 . 1 1 21 21 ILE HB H 1 2.2852 . . 1 .02 . . . 21 ILE HB . 16769 1 132 . 1 1 21 21 ILE HG12 H 1 1.6741 . . 2 .02 . . . 21 ILE HG12 . 16769 1 133 . 1 1 22 22 SER H H 1 8.6218 . . 1 .02 . . . 22 SER HN . 16769 1 134 . 1 1 22 22 SER HA H 1 3.8467 . . 1 .02 . . . 22 SER HA . 16769 1 135 . 1 1 22 22 SER HB2 H 1 3.6472 . . 2 .02 . . . 22 SER HB2 . 16769 1 136 . 1 1 23 23 ARG HA H 1 4.3351 . . 1 .02 . . . 23 ARG HA . 16769 1 137 . 1 1 23 23 ARG HB2 H 1 1.8182 . . 2 .02 . . . 23 ARG HB1 . 16769 1 138 . 1 1 23 23 ARG HB3 H 1 1.7229 . . 2 .02 . . . 23 ARG HB2 . 16769 1 139 . 1 1 23 23 ARG HD2 H 1 3.0087 . . 2 .02 . . . 23 ARG HD2 . 16769 1 140 . 1 1 23 23 ARG HG2 H 1 1.4891 . . 2 .02 . . . 23 ARG HG2 . 16769 1 141 . 1 1 24 24 VAL H H 1 7.9196 . . 1 .02 . . . 24 VAL HN . 16769 1 142 . 1 1 24 24 VAL HA H 1 4.2264 . . 1 .02 . . . 24 VAL HA . 16769 1 143 . 1 1 24 24 VAL HB H 1 2.2620 . . 1 .02 . . . 24 VAL HB . 16769 1 144 . 1 1 24 24 VAL HG11 H 1 1.3390 . . 2 .02 . . . 24 VAL HG11 . 16769 1 145 . 1 1 24 24 VAL HG12 H 1 1.3390 . . 2 .02 . . . 24 VAL HG11 . 16769 1 146 . 1 1 24 24 VAL HG13 H 1 1.3390 . . 2 .02 . . . 24 VAL HG11 . 16769 1 147 . 1 1 24 24 VAL HG21 H 1 1.0846 . . 2 .02 . . . 24 VAL HG21 . 16769 1 148 . 1 1 24 24 VAL HG22 H 1 1.0846 . . 2 .02 . . . 24 VAL HG21 . 16769 1 149 . 1 1 24 24 VAL HG23 H 1 1.0846 . . 2 .02 . . . 24 VAL HG21 . 16769 1 150 . 1 1 25 25 LEU H H 1 7.8108 . . 1 .02 . . . 25 LEU HN . 16769 1 151 . 1 1 25 25 LEU HA H 1 4.2426 . . 1 .02 . . . 25 LEU HA . 16769 1 152 . 1 1 25 25 LEU HB2 H 1 1.8261 . . 2 .02 . . . 25 LEU HB2 . 16769 1 153 . 1 1 25 25 LEU HD11 H 1 0.8905 . . 2 .02 . . . 25 LEU HD11 . 16769 1 154 . 1 1 25 25 LEU HD12 H 1 0.8905 . . 2 .02 . . . 25 LEU HD11 . 16769 1 155 . 1 1 25 25 LEU HD13 H 1 0.8905 . . 2 .02 . . . 25 LEU HD11 . 16769 1 156 . 1 1 26 26 ASP H H 1 7.7995 . . 1 .02 . . . 26 ASP HN . 16769 1 157 . 1 1 26 26 ASP HA H 1 4.7227 . . 1 .02 . . . 26 ASP HA . 16769 1 158 . 1 1 26 26 ASP HB2 H 1 3.0440 . . 2 .02 . . . 26 ASP HB1 . 16769 1 159 . 1 1 26 26 ASP HB3 H 1 2.7644 . . 2 .02 . . . 26 ASP HB2 . 16769 1 160 . 1 1 27 27 GLU H H 1 7.6730 . . 1 .02 . . . 27 GLU HN . 16769 1 161 . 1 1 27 27 GLU HA H 1 4.2548 . . 1 .02 . . . 27 GLU HA . 16769 1 162 . 1 1 27 27 GLU HB2 H 1 2.0710 . . 2 .02 . . . 27 GLU HB1 . 16769 1 163 . 1 1 27 27 GLU HB3 H 1 2.0524 . . 2 .02 . . . 27 GLU HB2 . 16769 1 164 . 1 1 27 27 GLU HG2 H 1 2.4647 . . 2 .02 . . . 27 GLU HG1 . 16769 1 165 . 1 1 27 27 GLU HG3 H 1 2.4685 . . 2 .02 . . . 27 GLU HG2 . 16769 1 166 . 1 1 28 28 GLU H H 1 8.1210 . . 1 .02 . . . 28 GLU HN . 16769 1 167 . 1 1 28 28 GLU HA H 1 4.3096 . . 1 .02 . . . 28 GLU HA . 16769 1 168 . 1 1 28 28 GLU HB2 H 1 2.1184 . . 2 .02 . . . 28 GLU HB2 . 16769 1 169 . 1 1 28 28 GLU HG2 H 1 2.5001 . . 2 .02 . . . 28 GLU HG2 . 16769 1 170 . 1 1 29 29 ASP H H 1 8.1724 . . 1 .02 . . . 29 ASP HN . 16769 1 171 . 1 1 29 29 ASP HA H 1 4.6962 . . 1 .02 . . . 29 ASP HA . 16769 1 172 . 1 1 29 29 ASP HB2 H 1 2.8652 . . 2 .02 . . . 29 ASP HB2 . 16769 1 173 . 1 1 30 30 ASP H H 1 8.2525 . . 1 .02 . . . 30 ASP HN . 16769 1 174 . 1 1 30 30 ASP HA H 1 4.7031 . . 1 .02 . . . 30 ASP HA . 16769 1 175 . 1 1 30 30 ASP HB2 H 1 2.8543 . . 2 .02 . . . 30 ASP HB2 . 16769 1 176 . 1 1 31 31 SER H H 1 8.2002 . . 1 .02 . . . 31 SER HN . 16769 1 177 . 1 1 31 31 SER HA H 1 4.4191 . . 1 .02 . . . 31 SER HA . 16769 1 178 . 1 1 31 31 SER HB2 H 1 3.9301 . . 2 .02 . . . 31 SER HB2 . 16769 1 179 . 1 1 32 32 ARG H H 1 8.0761 . . 1 .02 . . . 32 ARG HN . 16769 1 180 . 1 1 32 32 ARG HA H 1 4.3724 . . 1 .02 . . . 32 ARG HA . 16769 1 181 . 1 1 32 32 ARG HB2 H 1 1.8211 . . 2 .02 . . . 32 ARG HB2 . 16769 1 182 . 1 1 32 32 ARG HD2 H 1 3.2305 . . 2 .02 . . . 32 ARG HD2 . 16769 1 183 . 1 1 32 32 ARG HE H 1 7.3053 . . 1 .02 . . . 32 ARG HE . 16769 1 184 . 1 1 32 32 ARG HG2 H 1 1.6676 . . 2 .02 . . . 32 ARG HG2 . 16769 1 185 . 1 1 33 33 LYS H H 1 7.8751 . . 1 .02 . . . 33 LYS HN . 16769 1 186 . 1 1 33 33 LYS HA H 1 4.2073 . . 1 .02 . . . 33 LYS HA . 16769 1 187 . 1 1 33 33 LYS HB2 H 1 1.8056 . . 2 .02 . . . 33 LYS HB2 . 16769 1 188 . 1 1 33 33 LYS HD2 H 1 1.6911 . . 2 .02 . . . 33 LYS HD2 . 16769 1 189 . 1 1 33 33 LYS HE2 H 1 3.0175 . . 2 .02 . . . 33 LYS HE2 . 16769 1 190 . 1 1 33 33 LYS HG2 H 1 1.4223 . . 2 .02 . . . 33 LYS HG2 . 16769 1 191 . 1 1 33 33 LYS HZ1 H 1 7.4893 . . 1 .02 . . . 33 LYS HZ1 . 16769 1 192 . 1 1 33 33 LYS HZ2 H 1 7.4893 . . 1 .02 . . . 33 LYS HZ1 . 16769 1 193 . 1 1 33 33 LYS HZ3 H 1 7.4893 . . 1 .02 . . . 33 LYS HZ1 . 16769 1 stop_ save_