################################### # 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 30903 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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-1H NOESY' . . . 30903 1 2 '2D 1H-1H TOCSY' . . . 30903 1 3 '2D 1H-15N HSQC NH2 only' . . . 30903 1 4 '2D 1H-13C HSQC' . . . 30903 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 1 1 ASN H H 1 8.288 0.0 . 1 . . . . A 1 ASN H1 . 30903 1 2 . 1 . 1 1 1 ASN HA H 1 4.59 0.0 . 1 . . . . A 1 ASN HA . 30903 1 3 . 1 . 1 1 1 ASN HB2 H 1 2.718 0.0 . 2 . . . . A 1 ASN HB2 . 30903 1 4 . 1 . 1 1 1 ASN HB3 H 1 3.079 0.0 . 2 . . . . A 1 ASN HB3 . 30903 1 5 . 1 . 1 1 1 ASN HD21 H 1 7.682 0.0 . 2 . . . . A 1 ASN HD21 . 30903 1 6 . 1 . 1 1 1 ASN HD22 H 1 6.567 0.0 . 2 . . . . A 1 ASN HD22 . 30903 1 7 . 1 . 1 1 1 ASN CA C 13 53.411 0.0 . 1 . . . . A 1 ASN CA . 30903 1 8 . 1 . 1 1 1 ASN CB C 13 34.757 0.0 . 1 . . . . A 1 ASN CB . 30903 1 9 . 1 . 1 1 1 ASN N N 15 126.431 0.0 . 1 . . . . A 1 ASN N . 30903 1 10 . 1 . 1 1 1 ASN ND2 N 15 58.205 0.0 . 1 . . . . A 1 ASN ND2 . 30903 1 11 . 1 . 1 2 2 LEU H H 1 7.297 0.0 . 1 . . . . A 2 LEU H . 30903 1 12 . 1 . 1 2 2 LEU HA H 1 3.792 0.0 . 1 . . . . A 2 LEU HA . 30903 1 13 . 1 . 1 2 2 LEU HB3 H 1 2.137 0.0 . 2 . . . . A 2 LEU HB3 . 30903 1 14 . 1 . 1 2 2 LEU HG H 1 1.287 0.0 . 1 . . . . A 2 LEU HG . 30903 1 15 . 1 . 1 2 2 LEU HD11 H 1 0.968 0.0 . 2 . . . . A 2 LEU HD11 . 30903 1 16 . 1 . 1 2 2 LEU HD12 H 1 0.968 0.0 . 2 . . . . A 2 LEU HD12 . 30903 1 17 . 1 . 1 2 2 LEU HD13 H 1 0.968 0.0 . 2 . . . . A 2 LEU HD13 . 30903 1 18 . 1 . 1 2 2 LEU CA C 13 59.59 0.0 . 1 . . . . A 2 LEU CA . 30903 1 19 . 1 . 1 2 2 LEU CB C 13 43.071 0.0 . 1 . . . . A 2 LEU CB . 30903 1 20 . 1 . 1 2 2 LEU CG C 13 27.649 0.0 . 1 . . . . A 2 LEU CG . 30903 1 21 . 1 . 1 2 2 LEU CD1 C 13 24.011 0.0 . 1 . . . . A 2 LEU CD1 . 30903 1 22 . 1 . 1 2 2 LEU N N 15 118.848 0.0 . 1 . . . . A 2 LEU N . 30903 1 23 . 1 . 1 3 3 VAL H H 1 7.135 0.0 . 1 . . . . A 3 VAL H . 30903 1 24 . 1 . 1 3 3 VAL HA H 1 3.704 0.0 . 1 . . . . A 3 VAL HA . 30903 1 25 . 1 . 1 3 3 VAL HB H 1 2.099 0.0 . 1 . . . . A 3 VAL HB . 30903 1 26 . 1 . 1 3 3 VAL HG11 H 1 1.066 0.0 . 2 . . . . A 3 VAL HG11 . 30903 1 27 . 1 . 1 3 3 VAL HG12 H 1 1.066 0.0 . 2 . . . . A 3 VAL HG12 . 30903 1 28 . 1 . 1 3 3 VAL HG13 H 1 1.066 0.0 . 2 . . . . A 3 VAL HG13 . 30903 1 29 . 1 . 1 3 3 VAL HG21 H 1 0.997 0.0 . 2 . . . . A 3 VAL HG21 . 30903 1 30 . 1 . 1 3 3 VAL HG22 H 1 0.997 0.0 . 2 . . . . A 3 VAL HG22 . 30903 1 31 . 1 . 1 3 3 VAL HG23 H 1 0.997 0.0 . 2 . . . . A 3 VAL HG23 . 30903 1 32 . 1 . 1 3 3 VAL CA C 13 64.553 0.0 . 1 . . . . A 3 VAL CA . 30903 1 33 . 1 . 1 3 3 VAL CB C 13 35.566 0.0 . 1 . . . . A 3 VAL CB . 30903 1 34 . 1 . 1 3 3 VAL CG1 C 13 21.172 0.0 . 1 . . . . A 3 VAL CG1 . 30903 1 35 . 1 . 1 3 3 VAL CG2 C 13 21.221 0.0 . 1 . . . . A 3 VAL CG2 . 30903 1 36 . 1 . 1 3 3 VAL N N 15 116.018 0.0 . 1 . . . . A 3 VAL N . 30903 1 37 . 1 . 1 4 4 SER H H 1 8.205 0.0 . 1 . . . . A 4 SER H . 30903 1 38 . 1 . 1 4 4 SER HA H 1 4.131 0.0 . 1 . . . . A 4 SER HA . 30903 1 39 . 1 . 1 4 4 SER HB3 H 1 3.901 0.0 . 2 . . . . A 4 SER HB3 . 30903 1 40 . 1 . 1 4 4 SER CA C 13 61.647 0.0 . 1 . . . . A 4 SER CA . 30903 1 41 . 1 . 1 4 4 SER CB C 13 63.8 0.0 . 1 . . . . A 4 SER CB . 30903 1 42 . 1 . 1 4 4 SER N N 15 114.916 0.0 . 1 . . . . A 4 SER N . 30903 1 43 . 1 . 1 5 5 ASP H H 1 8.285 0.0 . 1 . . . . A 5 ASP H . 30903 1 44 . 1 . 1 5 5 ASP HA H 1 4.584 0.0 . 1 . . . . A 5 ASP HA . 30903 1 45 . 1 . 1 5 5 ASP HB2 H 1 2.713 0.0 . 2 . . . . A 5 ASP HB2 . 30903 1 46 . 1 . 1 5 5 ASP HB3 H 1 3.077 0.0 . 2 . . . . A 5 ASP HB3 . 30903 1 47 . 1 . 1 5 5 ASP CA C 13 58.044 0.0 . 1 . . . . A 5 ASP CA . 30903 1 48 . 1 . 1 5 5 ASP CB C 13 39.353 0.0 . 1 . . . . A 5 ASP CB . 30903 1 49 . 1 . 1 5 5 ASP N N 15 122.69 0.0 . 1 . . . . A 5 ASP N . 30903 1 50 . 1 . 1 6 6 ILE H H 1 8.395 0.0 . 1 . . . . A 6 ILE H . 30903 1 51 . 1 . 1 6 6 ILE HA H 1 3.801 0.0 . 1 . . . . A 6 ILE HA . 30903 1 52 . 1 . 1 6 6 ILE HB H 1 2.132 0.0 . 1 . . . . A 6 ILE HB . 30903 1 53 . 1 . 1 6 6 ILE HG13 H 1 1.218 0.0 . 9 . . . . A 6 ILE HG13 . 30903 1 54 . 1 . 1 6 6 ILE HG21 H 1 0.97 0.0 . 1 . . . . A 6 ILE HG21 . 30903 1 55 . 1 . 1 6 6 ILE HG22 H 1 0.97 0.0 . 1 . . . . A 6 ILE HG22 . 30903 1 56 . 1 . 1 6 6 ILE HG23 H 1 0.97 0.0 . 1 . . . . A 6 ILE HG23 . 30903 1 57 . 1 . 1 6 6 ILE HD11 H 1 0.867 0.0 . 1 . . . . A 6 ILE HD11 . 30903 1 58 . 1 . 1 6 6 ILE HD12 H 1 0.867 0.0 . 1 . . . . A 6 ILE HD12 . 30903 1 59 . 1 . 1 6 6 ILE HD13 H 1 0.867 0.0 . 1 . . . . A 6 ILE HD13 . 30903 1 60 . 1 . 1 6 6 ILE CA C 13 68.973 0.0 . 1 . . . . A 6 ILE CA . 30903 1 61 . 1 . 1 6 6 ILE CB C 13 39.511 0.0 . 1 . . . . A 6 ILE CB . 30903 1 62 . 1 . 1 6 6 ILE CG1 C 13 29.258 0.0 . 1 . . . . A 6 ILE CG1 . 30903 1 63 . 1 . 1 6 6 ILE CG2 C 13 17.907 0.0 . 1 . . . . A 6 ILE CG2 . 30903 1 64 . 1 . 1 6 6 ILE CD1 C 13 14.452 0.0 . 1 . . . . A 6 ILE CD1 . 30903 1 65 . 1 . 1 6 6 ILE N N 15 124.621 0.0 . 1 . . . . A 6 ILE N . 30903 1 66 . 1 . 1 7 7 ILE H H 1 8.586 0.0 . 1 . . . . A 7 ILE H . 30903 1 67 . 1 . 1 7 7 ILE HA H 1 3.744 0.0 . 1 . . . . A 7 ILE HA . 30903 1 68 . 1 . 1 7 7 ILE HB H 1 1.829 0.0 . 1 . . . . A 7 ILE HB . 30903 1 69 . 1 . 1 7 7 ILE HG13 H 1 1.145 0.0 . 9 . . . . A 7 ILE HG13 . 30903 1 70 . 1 . 1 7 7 ILE HG21 H 1 0.947 0.0 . 1 . . . . A 7 ILE HG21 . 30903 1 71 . 1 . 1 7 7 ILE HG22 H 1 0.947 0.0 . 1 . . . . A 7 ILE HG22 . 30903 1 72 . 1 . 1 7 7 ILE HG23 H 1 0.947 0.0 . 1 . . . . A 7 ILE HG23 . 30903 1 73 . 1 . 1 7 7 ILE HD11 H 1 0.897 0.0 . 1 . . . . A 7 ILE HD11 . 30903 1 74 . 1 . 1 7 7 ILE HD12 H 1 0.897 0.0 . 1 . . . . A 7 ILE HD12 . 30903 1 75 . 1 . 1 7 7 ILE HD13 H 1 0.897 0.0 . 1 . . . . A 7 ILE HD13 . 30903 1 76 . 1 . 1 7 7 ILE CA C 13 67.282 0.0 . 1 . . . . A 7 ILE CA . 30903 1 77 . 1 . 1 7 7 ILE CB C 13 38.65 0.0 . 1 . . . . A 7 ILE CB . 30903 1 78 . 1 . 1 7 7 ILE CG1 C 13 29.033 0.0 . 1 . . . . A 7 ILE CG1 . 30903 1 79 . 1 . 1 7 7 ILE CG2 C 13 18.1 0.0 . 1 . . . . A 7 ILE CG2 . 30903 1 80 . 1 . 1 7 7 ILE CD1 C 13 14.947 0.0 . 1 . . . . A 7 ILE CD1 . 30903 1 81 . 1 . 1 7 7 ILE N N 15 121.417 0.0 . 1 . . . . A 7 ILE N . 30903 1 82 . 1 . 1 8 8 GLY H H 1 8.667 0.0 . 1 . . . . A 8 GLY H . 30903 1 83 . 1 . 1 8 8 GLY HA2 H 1 3.883 0.0 . 2 . . . . A 8 GLY HA2 . 30903 1 84 . 1 . 1 8 8 GLY HA3 H 1 4.078 0.0 . 2 . . . . A 8 GLY HA3 . 30903 1 85 . 1 . 1 8 8 GLY CA C 13 44.75 0.0 . 1 . . . . A 8 GLY CA . 30903 1 86 . 1 . 1 8 8 GLY N N 15 107.306 0.0 . 1 . . . . A 8 GLY N . 30903 1 87 . 1 . 1 9 9 SER H H 1 8.188 0.0 . 1 . . . . A 9 SER H . 30903 1 88 . 1 . 1 9 9 SER HA H 1 4.398 0.0 . 1 . . . . A 9 SER HA . 30903 1 89 . 1 . 1 9 9 SER HB3 H 1 4.222 0.0 . 2 . . . . A 9 SER HB3 . 30903 1 90 . 1 . 1 9 9 SER CA C 13 61.399 0.0 . 1 . . . . A 9 SER CA . 30903 1 91 . 1 . 1 9 9 SER CB C 13 63.269 0.0 . 1 . . . . A 9 SER CB . 30903 1 92 . 1 . 1 9 9 SER N N 15 119.301 0.0 . 1 . . . . A 9 SER N . 30903 1 93 . 1 . 1 10 10 LYS H H 1 8.307 0.0 . 1 . . . . A 10 LYS H . 30903 1 94 . 1 . 1 10 10 LYS HA H 1 4.162 0.0 . 1 . . . . A 10 LYS HA . 30903 1 95 . 1 . 1 10 10 LYS HB3 H 1 2.076 0.0 . 2 . . . . A 10 LYS HB3 . 30903 1 96 . 1 . 1 10 10 LYS HG3 H 1 1.418 0.0 . 2 . . . . A 10 LYS HG3 . 30903 1 97 . 1 . 1 10 10 LYS HD3 H 1 1.673 0.0 . 2 . . . . A 10 LYS HD3 . 30903 1 98 . 1 . 1 10 10 LYS HE3 H 1 3.006 0.0 . 2 . . . . A 10 LYS HE3 . 30903 1 99 . 1 . 1 10 10 LYS CA C 13 59.767 0.0 . 1 . . . . A 10 LYS CA . 30903 1 100 . 1 . 1 10 10 LYS CB C 13 33.079 0.0 . 1 . . . . A 10 LYS CB . 30903 1 101 . 1 . 1 10 10 LYS CG C 13 27.003 0.0 . 1 . . . . A 10 LYS CG . 30903 1 102 . 1 . 1 10 10 LYS CD C 13 29.771 0.0 . 1 . . . . A 10 LYS CD . 30903 1 103 . 1 . 1 10 10 LYS CE C 13 42.726 0.0 . 1 . . . . A 10 LYS CE . 30903 1 104 . 1 . 1 10 10 LYS N N 15 125.111 0.0 . 1 . . . . A 10 LYS N . 30903 1 105 . 1 . 1 11 11 LYS H H 1 8.571 0.0 . 1 . . . . A 11 LYS H . 30903 1 106 . 1 . 1 11 11 LYS HA H 1 4.198 0.0 . 1 . . . . A 11 LYS HA . 30903 1 107 . 1 . 1 11 11 LYS HB3 H 1 1.944 0.0 . 2 . . . . A 11 LYS HB3 . 30903 1 108 . 1 . 1 11 11 LYS HG3 H 1 1.584 0.0 . 2 . . . . A 11 LYS HG3 . 30903 1 109 . 1 . 1 11 11 LYS HD3 H 1 1.755 0.0 . 2 . . . . A 11 LYS HD3 . 30903 1 110 . 1 . 1 11 11 LYS HE3 H 1 3.028 0.0 . 2 . . . . A 11 LYS HE3 . 30903 1 111 . 1 . 1 11 11 LYS CA C 13 57.7 0.0 . 1 . . . . A 11 LYS CA . 30903 1 112 . 1 . 1 11 11 LYS CB C 13 33.146 0.0 . 1 . . . . A 11 LYS CB . 30903 1 113 . 1 . 1 11 11 LYS CG C 13 27.04 0.0 . 1 . . . . A 11 LYS CG . 30903 1 114 . 1 . 1 11 11 LYS CD C 13 29.088 0.0 . 1 . . . . A 11 LYS CD . 30903 1 115 . 1 . 1 11 11 LYS CE C 13 43.834 0.0 . 1 . . . . A 11 LYS CE . 30903 1 116 . 1 . 1 11 11 LYS N N 15 119.093 0.0 . 1 . . . . A 11 LYS N . 30903 1 117 . 1 . 1 12 12 HIS H H 1 8.238 0.0 . 1 . . . . A 12 HIS H . 30903 1 118 . 1 . 1 12 12 HIS HA H 1 4.423 0.0 . 1 . . . . A 12 HIS HA . 30903 1 119 . 1 . 1 12 12 HIS HB3 H 1 3.365 0.0 . 2 . . . . A 12 HIS HB3 . 30903 1 120 . 1 . 1 12 12 HIS CA C 13 57.814 0.0 . 1 . . . . A 12 HIS CA . 30903 1 121 . 1 . 1 12 12 HIS CB C 13 30.14 0.0 . 1 . . . . A 12 HIS CB . 30903 1 122 . 1 . 1 12 12 HIS N N 15 121.531 0.0 . 1 . . . . A 12 HIS N . 30903 1 123 . 1 . 1 13 13 MET H H 1 8.311 0.0 . 1 . . . . A 13 MET H . 30903 1 124 . 1 . 1 13 13 MET HA H 1 4.344 0.0 . 1 . . . . A 13 MET HA . 30903 1 125 . 1 . 1 13 13 MET HB2 H 1 2.354 0.0 . 2 . . . . A 13 MET HB2 . 30903 1 126 . 1 . 1 13 13 MET HB3 H 1 2.248 0.0 . 2 . . . . A 13 MET HB3 . 30903 1 127 . 1 . 1 13 13 MET HG3 H 1 2.749 0.0 . 2 . . . . A 13 MET HG3 . 30903 1 128 . 1 . 1 13 13 MET CA C 13 57.283 0.0 . 1 . . . . A 13 MET CA . 30903 1 129 . 1 . 1 13 13 MET CB C 13 32.687 0.0 . 1 . . . . A 13 MET CB . 30903 1 130 . 1 . 1 13 13 MET CG C 13 33.273 0.0 . 1 . . . . A 13 MET CG . 30903 1 131 . 1 . 1 13 13 MET N N 15 119.565 0.0 . 1 . . . . A 13 MET N . 30903 1 132 . 1 . 1 14 14 GLU H H 1 8.484 0.0 . 1 . . . . A 14 GLU H . 30903 1 133 . 1 . 1 14 14 GLU HA H 1 3.979 0.0 . 1 . . . . A 14 GLU HA . 30903 1 134 . 1 . 1 14 14 GLU HB2 H 1 2.148 0.0 . 2 . . . . A 14 GLU HB2 . 30903 1 135 . 1 . 1 14 14 GLU HB3 H 1 2.29 0.0 . 2 . . . . A 14 GLU HB3 . 30903 1 136 . 1 . 1 14 14 GLU HG3 H 1 2.68 0.0 . 2 . . . . A 14 GLU HG3 . 30903 1 137 . 1 . 1 14 14 GLU CA C 13 59.59 0.0 . 1 . . . . A 14 GLU CA . 30903 1 138 . 1 . 1 14 14 GLU CB C 13 36.669 0.0 . 1 . . . . A 14 GLU CB . 30903 1 139 . 1 . 1 14 14 GLU CG C 13 37.608 0.0 . 1 . . . . A 14 GLU CG . 30903 1 140 . 1 . 1 14 14 GLU N N 15 118.704 0.0 . 1 . . . . A 14 GLU N . 30903 1 141 . 1 . 1 15 15 LYS H H 1 8.146 0.0 . 1 . . . . A 15 LYS H . 30903 1 142 . 1 . 1 15 15 LYS HA H 1 4.131 0.0 . 1 . . . . A 15 LYS HA . 30903 1 143 . 1 . 1 15 15 LYS HB2 H 1 1.897 0.0 . 2 . . . . A 15 LYS HB2 . 30903 1 144 . 1 . 1 15 15 LYS HB3 H 1 2.066 0.0 . 2 . . . . A 15 LYS HB3 . 30903 1 145 . 1 . 1 15 15 LYS HG3 H 1 1.537 0.0 . 2 . . . . A 15 LYS HG3 . 30903 1 146 . 1 . 1 15 15 LYS HD3 H 1 1.738 0.0 . 2 . . . . A 15 LYS HD3 . 30903 1 147 . 1 . 1 15 15 LYS HE3 H 1 2.98 0.0 . 2 . . . . A 15 LYS HE3 . 30903 1 148 . 1 . 1 15 15 LYS CA C 13 60.728 0.0 . 1 . . . . A 15 LYS CA . 30903 1 149 . 1 . 1 15 15 LYS CB C 13 32.041 0.0 . 1 . . . . A 15 LYS CB . 30903 1 150 . 1 . 1 15 15 LYS CG C 13 25.988 0.0 . 1 . . . . A 15 LYS CG . 30903 1 151 . 1 . 1 15 15 LYS CD C 13 29.587 0.0 . 1 . . . . A 15 LYS CD . 30903 1 152 . 1 . 1 15 15 LYS CE C 13 44.5 0.0 . 1 . . . . A 15 LYS CE . 30903 1 153 . 1 . 1 15 15 LYS N N 15 121.972 0.0 . 1 . . . . A 15 LYS N . 30903 1 154 . 1 . 1 16 16 LEU H H 1 7.894 0.0 . 1 . . . . A 16 LEU H . 30903 1 155 . 1 . 1 16 16 LEU HA H 1 4.121 0.0 . 1 . . . . A 16 LEU HA . 30903 1 156 . 1 . 1 16 16 LEU HB3 H 1 2.061 0.0 . 2 . . . . A 16 LEU HB3 . 30903 1 157 . 1 . 1 16 16 LEU HG H 1 1.359 0.0 . 1 . . . . A 16 LEU HG . 30903 1 158 . 1 . 1 16 16 LEU HD11 H 1 0.95 0.0 . 2 . . . . A 16 LEU HD11 . 30903 1 159 . 1 . 1 16 16 LEU HD12 H 1 0.95 0.0 . 2 . . . . A 16 LEU HD12 . 30903 1 160 . 1 . 1 16 16 LEU HD13 H 1 0.95 0.0 . 2 . . . . A 16 LEU HD13 . 30903 1 161 . 1 . 1 16 16 LEU CA C 13 59.393 0.0 . 1 . . . . A 16 LEU CA . 30903 1 162 . 1 . 1 16 16 LEU CB C 13 42.552 0.0 . 1 . . . . A 16 LEU CB . 30903 1 163 . 1 . 1 16 16 LEU CG C 13 28.239 0.0 . 1 . . . . A 16 LEU CG . 30903 1 164 . 1 . 1 16 16 LEU CD1 C 13 24.98 0.0 . 1 . . . . A 16 LEU CD1 . 30903 1 165 . 1 . 1 16 16 LEU N N 15 121.313 0.0 . 1 . . . . A 16 LEU N . 30903 1 166 . 1 . 1 17 17 ILE H H 1 8.651 0.0 . 1 . . . . A 17 ILE H . 30903 1 167 . 1 . 1 17 17 ILE HA H 1 3.745 0.0 . 1 . . . . A 17 ILE HA . 30903 1 168 . 1 . 1 17 17 ILE HB H 1 1.994 0.0 . 1 . . . . A 17 ILE HB . 30903 1 169 . 1 . 1 17 17 ILE HG13 H 1 1.284 0.0 . 9 . . . . A 17 ILE HG13 . 30903 1 170 . 1 . 1 17 17 ILE HG21 H 1 0.946 0.0 . 1 . . . . A 17 ILE HG21 . 30903 1 171 . 1 . 1 17 17 ILE HG22 H 1 0.946 0.0 . 1 . . . . A 17 ILE HG22 . 30903 1 172 . 1 . 1 17 17 ILE HG23 H 1 0.946 0.0 . 1 . . . . A 17 ILE HG23 . 30903 1 173 . 1 . 1 17 17 ILE HD11 H 1 0.857 0.0 . 1 . . . . A 17 ILE HD11 . 30903 1 174 . 1 . 1 17 17 ILE HD12 H 1 0.857 0.0 . 1 . . . . A 17 ILE HD12 . 30903 1 175 . 1 . 1 17 17 ILE HD13 H 1 0.857 0.0 . 1 . . . . A 17 ILE HD13 . 30903 1 176 . 1 . 1 17 17 ILE CA C 13 65.883 0.0 . 1 . . . . A 17 ILE CA . 30903 1 177 . 1 . 1 17 17 ILE CB C 13 38.83 0.0 . 1 . . . . A 17 ILE CB . 30903 1 178 . 1 . 1 17 17 ILE CG1 C 13 30.883 0.0 . 1 . . . . A 17 ILE CG1 . 30903 1 179 . 1 . 1 17 17 ILE CG2 C 13 17.23 0.0 . 1 . . . . A 17 ILE CG2 . 30903 1 180 . 1 . 1 17 17 ILE CD1 C 13 13.07 0.0 . 1 . . . . A 17 ILE CD1 . 30903 1 181 . 1 . 1 17 17 ILE N N 15 118.752 0.0 . 1 . . . . A 17 ILE N . 30903 1 182 . 1 . 1 18 18 SER H H 1 7.934 0.0 . 1 . . . . A 18 SER H . 30903 1 183 . 1 . 1 18 18 SER HA H 1 4.206 0.0 . 1 . . . . A 18 SER HA . 30903 1 184 . 1 . 1 18 18 SER HB3 H 1 4.069 0.0 . 2 . . . . A 18 SER HB3 . 30903 1 185 . 1 . 1 18 18 SER CA C 13 61.087 0.0 . 1 . . . . A 18 SER CA . 30903 1 186 . 1 . 1 18 18 SER CB C 13 62.436 0.0 . 1 . . . . A 18 SER CB . 30903 1 187 . 1 . 1 18 18 SER N N 15 115.874 0.0 . 1 . . . . A 18 SER N . 30903 1 188 . 1 . 1 19 19 ILE H H 1 7.987 0.0 . 1 . . . . A 19 ILE H . 30903 1 189 . 1 . 1 19 19 ILE HA H 1 3.828 0.0 . 1 . . . . A 19 ILE HA . 30903 1 190 . 1 . 1 19 19 ILE HB H 1 2.203 0.0 . 1 . . . . A 19 ILE HB . 30903 1 191 . 1 . 1 19 19 ILE HG13 H 1 1.408 0.0 . 9 . . . . A 19 ILE HG13 . 30903 1 192 . 1 . 1 19 19 ILE HG21 H 1 1.161 0.0 . 1 . . . . A 19 ILE HG21 . 30903 1 193 . 1 . 1 19 19 ILE HG22 H 1 1.161 0.0 . 1 . . . . A 19 ILE HG22 . 30903 1 194 . 1 . 1 19 19 ILE HG23 H 1 1.161 0.0 . 1 . . . . A 19 ILE HG23 . 30903 1 195 . 1 . 1 19 19 ILE HD11 H 1 0.985 0.0 . 1 . . . . A 19 ILE HD11 . 30903 1 196 . 1 . 1 19 19 ILE HD12 H 1 0.985 0.0 . 1 . . . . A 19 ILE HD12 . 30903 1 197 . 1 . 1 19 19 ILE HD13 H 1 0.985 0.0 . 1 . . . . A 19 ILE HD13 . 30903 1 198 . 1 . 1 19 19 ILE CA C 13 66.454 0.0 . 1 . . . . A 19 ILE CA . 30903 1 199 . 1 . 1 19 19 ILE CB C 13 39.405 0.0 . 1 . . . . A 19 ILE CB . 30903 1 200 . 1 . 1 19 19 ILE CG1 C 13 31.04 0.0 . 1 . . . . A 19 ILE CG1 . 30903 1 201 . 1 . 1 19 19 ILE CG2 C 13 17.905 0.0 . 1 . . . . A 19 ILE CG2 . 30903 1 202 . 1 . 1 19 19 ILE CD1 C 13 13.22 0.0 . 1 . . . . A 19 ILE CD1 . 30903 1 203 . 1 . 1 19 19 ILE N N 15 124.897 0.0 . 1 . . . . A 19 ILE N . 30903 1 204 . 1 . 1 20 20 ILE H H 1 8.522 0.0 . 1 . . . . A 20 ILE H . 30903 1 205 . 1 . 1 20 20 ILE HA H 1 3.664 0.0 . 1 . . . . A 20 ILE HA . 30903 1 206 . 1 . 1 20 20 ILE HB H 1 2.044 0.0 . 1 . . . . A 20 ILE HB . 30903 1 207 . 1 . 1 20 20 ILE HG13 H 1 1.167 0.0 . 9 . . . . A 20 ILE HG13 . 30903 1 208 . 1 . 1 20 20 ILE HG21 H 1 0.947 0.0 . 1 . . . . A 20 ILE HG21 . 30903 1 209 . 1 . 1 20 20 ILE HG22 H 1 0.947 0.0 . 1 . . . . A 20 ILE HG22 . 30903 1 210 . 1 . 1 20 20 ILE HG23 H 1 0.947 0.0 . 1 . . . . A 20 ILE HG23 . 30903 1 211 . 1 . 1 20 20 ILE HD11 H 1 0.893 0.0 . 1 . . . . A 20 ILE HD11 . 30903 1 212 . 1 . 1 20 20 ILE HD12 H 1 0.893 0.0 . 1 . . . . A 20 ILE HD12 . 30903 1 213 . 1 . 1 20 20 ILE HD13 H 1 0.893 0.0 . 1 . . . . A 20 ILE HD13 . 30903 1 214 . 1 . 1 20 20 ILE CA C 13 69.019 0.0 . 1 . . . . A 20 ILE CA . 30903 1 215 . 1 . 1 20 20 ILE CB C 13 38.65 0.0 . 1 . . . . A 20 ILE CB . 30903 1 216 . 1 . 1 20 20 ILE CG1 C 13 30.183 0.0 . 1 . . . . A 20 ILE CG1 . 30903 1 217 . 1 . 1 20 20 ILE CG2 C 13 18.25 0.0 . 1 . . . . A 20 ILE CG2 . 30903 1 218 . 1 . 1 20 20 ILE CD1 C 13 14.12 0.0 . 1 . . . . A 20 ILE CD1 . 30903 1 219 . 1 . 1 20 20 ILE N N 15 122.89 0.0 . 1 . . . . A 20 ILE N . 30903 1 220 . 1 . 1 21 21 LYS H H 1 8.692 0.0 . 1 . . . . A 21 LYS H . 30903 1 221 . 1 . 1 21 21 LYS HA H 1 4.003 0.0 . 1 . . . . A 21 LYS HA . 30903 1 222 . 1 . 1 21 21 LYS HB3 H 1 2.019 0.0 . 2 . . . . A 21 LYS HB3 . 30903 1 223 . 1 . 1 21 21 LYS HG3 H 1 1.462 0.0 . 2 . . . . A 21 LYS HG3 . 30903 1 224 . 1 . 1 21 21 LYS HD3 H 1 1.724 0.0 . 2 . . . . A 21 LYS HD3 . 30903 1 225 . 1 . 1 21 21 LYS HE3 H 1 3.026 0.0 . 2 . . . . A 21 LYS HE3 . 30903 1 226 . 1 . 1 21 21 LYS CA C 13 61.124 0.0 . 1 . . . . A 21 LYS CA . 30903 1 227 . 1 . 1 21 21 LYS CB C 13 34.003 0.0 . 1 . . . . A 21 LYS CB . 30903 1 228 . 1 . 1 21 21 LYS CG C 13 26.062 0.0 . 1 . . . . A 21 LYS CG . 30903 1 229 . 1 . 1 21 21 LYS CD C 13 30.878 0.0 . 1 . . . . A 21 LYS CD . 30903 1 230 . 1 . 1 21 21 LYS CE C 13 41.644 0.0 . 1 . . . . A 21 LYS CE . 30903 1 231 . 1 . 1 21 21 LYS N N 15 118.799 0.0 . 1 . . . . A 21 LYS N . 30903 1 232 . 1 . 1 22 22 LYS H H 1 7.91 0.0 . 1 . . . . A 22 LYS H . 30903 1 233 . 1 . 1 22 22 LYS HA H 1 4.207 0.0 . 1 . . . . A 22 LYS HA . 30903 1 234 . 1 . 1 22 22 LYS HB3 H 1 2.107 0.0 . 2 . . . . A 22 LYS HB3 . 30903 1 235 . 1 . 1 22 22 LYS HG3 H 1 1.564 0.0 . 2 . . . . A 22 LYS HG3 . 30903 1 236 . 1 . 1 22 22 LYS HD3 H 1 1.672 0.0 . 2 . . . . A 22 LYS HD3 . 30903 1 237 . 1 . 1 22 22 LYS HE3 H 1 3.048 0.0 . 2 . . . . A 22 LYS HE3 . 30903 1 238 . 1 . 1 22 22 LYS CA C 13 58.977 0.0 . 1 . . . . A 22 LYS CA . 30903 1 239 . 1 . 1 22 22 LYS CB C 13 34.387 0.0 . 1 . . . . A 22 LYS CB . 30903 1 240 . 1 . 1 22 22 LYS CG C 13 25.411 0.0 . 1 . . . . A 22 LYS CG . 30903 1 241 . 1 . 1 22 22 LYS CD C 13 31.211 0.0 . 1 . . . . A 22 LYS CD . 30903 1 242 . 1 . 1 22 22 LYS CE C 13 44.771 0.0 . 1 . . . . A 22 LYS CE . 30903 1 243 . 1 . 1 22 22 LYS N N 15 119.532 0.0 . 1 . . . . A 22 LYS N . 30903 1 244 . 1 . 1 23 23 CYS H H 1 8.373 0.0 . 1 . . . . A 23 CYS H . 30903 1 245 . 1 . 1 23 23 CYS HA H 1 4.39 0.0 . 1 . . . . A 23 CYS HA . 30903 1 246 . 1 . 1 23 23 CYS HB2 H 1 2.957 0.0 . 2 . . . . A 23 CYS HB2 . 30903 1 247 . 1 . 1 23 23 CYS HB3 H 1 3.105 0.0 . 2 . . . . A 23 CYS HB3 . 30903 1 248 . 1 . 1 23 23 CYS CA C 13 56.508 0.0 . 1 . . . . A 23 CYS CA . 30903 1 249 . 1 . 1 23 23 CYS CB C 13 28.618 0.0 . 1 . . . . A 23 CYS CB . 30903 1 250 . 1 . 1 23 23 CYS N N 15 117.326 0.0 . 1 . . . . A 23 CYS N . 30903 1 251 . 1 . 1 24 24 ARG H H 1 8.258 0.0 . 1 . . . . A 24 ARG H . 30903 1 252 . 1 . 1 24 24 ARG HA H 1 4.332 0.0 . 1 . . . . A 24 ARG HA . 30903 1 253 . 1 . 1 24 24 ARG HB2 H 1 1.926 0.0 . 2 . . . . A 24 ARG HB2 . 30903 1 254 . 1 . 1 24 24 ARG HB3 H 1 2.029 0.0 . 2 . . . . A 24 ARG HB3 . 30903 1 255 . 1 . 1 24 24 ARG HG3 H 1 1.843 0.0 . 2 . . . . A 24 ARG HG3 . 30903 1 256 . 1 . 1 24 24 ARG HD3 H 1 44.092 0.0 . 2 . . . . A 24 ARG HD3 . 30903 1 257 . 1 . 1 24 24 ARG CA C 13 59.35 0.0 . 1 . . . . A 24 ARG CA . 30903 1 258 . 1 . 1 24 24 ARG CB C 13 29.955 0.0 . 1 . . . . A 24 ARG CB . 30903 1 259 . 1 . 1 24 24 ARG CG C 13 27.483 0.0 . 1 . . . . A 24 ARG CG . 30903 1 260 . 1 . 1 24 24 ARG CD C 13 35.252 0.0 . 1 . . . . A 24 ARG CD . 30903 1 261 . 1 . 1 24 24 ARG N N 15 120.173 0.0 . 1 . . . . A 24 ARG N . 30903 1 stop_ save_