################################### # 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 30752 _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' . . . 30752 1 2 '2D 1H-1H TOCSY' . . . 30752 1 3 '2D 1H-15N HSQC NH2 only' . . . 30752 1 4 '2D 1H-13C HSQC' . . . 30752 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 8.486 0.0 . 1 . . . . A 1 ASN H1 . 30752 1 2 . 1 . 1 1 1 ASN HA H 1 4.54 0.0 . 1 . . . . A 1 ASN HA . 30752 1 3 . 1 . 1 1 1 ASN HB2 H 1 3.06 0.0 . 2 . . . . A 1 ASN HB2 . 30752 1 4 . 1 . 1 1 1 ASN HB3 H 1 2.686 0.0 . 2 . . . . A 1 ASN HB3 . 30752 1 5 . 1 . 1 1 1 ASN HD21 H 1 7.743 0.0 . 2 . . . . A 1 ASN HD21 . 30752 1 6 . 1 . 1 1 1 ASN HD22 H 1 6.598 0.0 . 2 . . . . A 1 ASN HD22 . 30752 1 7 . 1 . 1 1 1 ASN CA C 13 56.01 0.0 . 1 . . . . A 1 ASN CA . 30752 1 8 . 1 . 1 1 1 ASN CB C 13 38.5 0.0 . 1 . . . . A 1 ASN CB . 30752 1 9 . 1 . 1 1 1 ASN N N 15 118.128 0.0 . 1 . . . . A 1 ASN N . 30752 1 10 . 1 . 1 1 1 ASN ND2 N 15 111.028 0.0 . 1 . . . . A 1 ASN ND2 . 30752 1 11 . 1 . 1 2 2 LEU H H 1 7.302 0.0 . 1 . . . . A 2 LEU H . 30752 1 12 . 1 . 1 2 2 LEU HA H 1 3.764 0.0 . 1 . . . . A 2 LEU HA . 30752 1 13 . 1 . 1 2 2 LEU HB2 H 1 2.111 0.0 . 2 . . . . A 2 LEU HB2 . 30752 1 14 . 1 . 1 2 2 LEU HB3 H 1 2.177 0.0 . 2 . . . . A 2 LEU HB3 . 30752 1 15 . 1 . 1 2 2 LEU HG H 1 1.695 0.0 . 1 . . . . A 2 LEU HG . 30752 1 16 . 1 . 1 2 2 LEU HD11 H 1 0.989 0.0 . 2 . . . . A 2 LEU HD11 . 30752 1 17 . 1 . 1 2 2 LEU HD12 H 1 0.989 0.0 . 2 . . . . A 2 LEU HD12 . 30752 1 18 . 1 . 1 2 2 LEU HD13 H 1 0.989 0.0 . 2 . . . . A 2 LEU HD13 . 30752 1 19 . 1 . 1 2 2 LEU HD21 H 1 0.945 0.0 . 2 . . . . A 2 LEU HD21 . 30752 1 20 . 1 . 1 2 2 LEU HD22 H 1 0.945 0.0 . 2 . . . . A 2 LEU HD22 . 30752 1 21 . 1 . 1 2 2 LEU HD23 H 1 0.945 0.0 . 2 . . . . A 2 LEU HD23 . 30752 1 22 . 1 . 1 2 2 LEU CA C 13 58.0 0.0 . 1 . . . . A 2 LEU CA . 30752 1 23 . 1 . 1 2 2 LEU CB C 13 42.001 0.0 . 1 . . . . A 2 LEU CB . 30752 1 24 . 1 . 1 2 2 LEU CG C 13 28.282 0.0 . 1 . . . . A 2 LEU CG . 30752 1 25 . 1 . 1 2 2 LEU N N 15 121.777 0.0 . 1 . . . . A 2 LEU N . 30752 1 26 . 1 . 1 3 3 VAL H H 1 7.139 0.0 . 1 . . . . A 3 VAL H . 30752 1 27 . 1 . 1 3 3 VAL HA H 1 3.675 0.0 . 1 . . . . A 3 VAL HA . 30752 1 28 . 1 . 1 3 3 VAL HB H 1 2.079 0.0 . 1 . . . . A 3 VAL HB . 30752 1 29 . 1 . 1 3 3 VAL HG11 H 1 1.066 0.0 . 2 . . . . A 3 VAL HG11 . 30752 1 30 . 1 . 1 3 3 VAL HG12 H 1 1.066 0.0 . 2 . . . . A 3 VAL HG12 . 30752 1 31 . 1 . 1 3 3 VAL HG13 H 1 1.066 0.0 . 2 . . . . A 3 VAL HG13 . 30752 1 32 . 1 . 1 3 3 VAL HG21 H 1 1.006 0.0 . 2 . . . . A 3 VAL HG21 . 30752 1 33 . 1 . 1 3 3 VAL HG22 H 1 1.006 0.0 . 2 . . . . A 3 VAL HG22 . 30752 1 34 . 1 . 1 3 3 VAL HG23 H 1 1.006 0.0 . 2 . . . . A 3 VAL HG23 . 30752 1 35 . 1 . 1 3 3 VAL CB C 13 35.274 0.0 . 1 . . . . A 3 VAL CB . 30752 1 36 . 1 . 1 3 3 VAL N N 15 116.143 0.0 . 1 . . . . A 3 VAL N . 30752 1 37 . 1 . 1 4 4 SER H H 1 8.181 0.0 . 1 . . . . A 4 SER H . 30752 1 38 . 1 . 1 4 4 SER HA H 1 4.109 0.0 . 1 . . . . A 4 SER HA . 30752 1 39 . 1 . 1 4 4 SER HB2 H 1 3.88 0.0 . 2 . . . . A 4 SER HB2 . 30752 1 40 . 1 . 1 4 4 SER CA C 13 61.445 0.0 . 1 . . . . A 4 SER CA . 30752 1 41 . 1 . 1 4 4 SER CB C 13 62.584 0.0 . 1 . . . . A 4 SER CB . 30752 1 42 . 1 . 1 4 4 SER N N 15 114.944 0.0 . 1 . . . . A 4 SER N . 30752 1 43 . 1 . 1 5 5 ASP H H 1 8.272 0.0 . 1 . . . . A 5 ASP H . 30752 1 44 . 1 . 1 5 5 ASP HA H 1 4.552 0.0 . 1 . . . . A 5 ASP HA . 30752 1 45 . 1 . 1 5 5 ASP HB2 H 1 3.052 0.0 . 2 . . . . A 5 ASP HB2 . 30752 1 46 . 1 . 1 5 5 ASP HB3 H 1 2.674 0.0 . 2 . . . . A 5 ASP HB3 . 30752 1 47 . 1 . 1 5 5 ASP CA C 13 57.9 0.0 . 1 . . . . A 5 ASP CA . 30752 1 48 . 1 . 1 5 5 ASP CB C 13 40.97 0.0 . 1 . . . . A 5 ASP CB . 30752 1 49 . 1 . 1 5 5 ASP N N 15 125.371 0.0 . 1 . . . . A 5 ASP N . 30752 1 50 . 1 . 1 6 6 ILE H H 1 8.384 0.0 . 1 . . . . A 6 ILE H . 30752 1 51 . 1 . 1 6 6 ILE HA H 1 3.766 0.0 . 1 . . . . A 6 ILE HA . 30752 1 52 . 1 . 1 6 6 ILE HB H 1 2.089 0.0 . 1 . . . . A 6 ILE HB . 30752 1 53 . 1 . 1 6 6 ILE HG12 H 1 1.27 0.0 . 1 . . . . A 6 ILE HG12 . 30752 1 54 . 1 . 1 6 6 ILE HG21 H 1 0.874 0.0 . 1 . . . . A 6 ILE HG21 . 30752 1 55 . 1 . 1 6 6 ILE HG22 H 1 0.874 0.0 . 1 . . . . A 6 ILE HG22 . 30752 1 56 . 1 . 1 6 6 ILE HG23 H 1 0.874 0.0 . 1 . . . . A 6 ILE HG23 . 30752 1 57 . 1 . 1 6 6 ILE HD11 H 1 0.932 0.0 . 1 . . . . A 6 ILE HD11 . 30752 1 58 . 1 . 1 6 6 ILE HD12 H 1 0.932 0.0 . 1 . . . . A 6 ILE HD12 . 30752 1 59 . 1 . 1 6 6 ILE HD13 H 1 0.932 0.0 . 1 . . . . A 6 ILE HD13 . 30752 1 60 . 1 . 1 6 6 ILE CA C 13 64.95 0.0 . 1 . . . . A 6 ILE CA . 30752 1 61 . 1 . 1 6 6 ILE CB C 13 38.62 0.0 . 1 . . . . A 6 ILE CB . 30752 1 62 . 1 . 1 6 6 ILE N N 15 124.658 0.0 . 1 . . . . A 6 ILE N . 30752 1 63 . 1 . 1 7 7 ILE H H 1 8.566 0.0 . 1 . . . . A 7 ILE H . 30752 1 64 . 1 . 1 7 7 ILE HA H 1 3.712 0.0 . 1 . . . . A 7 ILE HA . 30752 1 65 . 1 . 1 7 7 ILE HB H 1 1.922 0.0 . 1 . . . . A 7 ILE HB . 30752 1 66 . 1 . 1 7 7 ILE HG12 H 1 1.167 0.0 . 1 . . . . A 7 ILE HG12 . 30752 1 67 . 1 . 1 7 7 ILE HG13 H 1 0.898 0.0 . 1 . . . . A 7 ILE HG13 . 30752 1 68 . 1 . 1 7 7 ILE HD11 H 1 0.845 0.0 . 1 . . . . A 7 ILE HD11 . 30752 1 69 . 1 . 1 7 7 ILE HD12 H 1 0.845 0.0 . 1 . . . . A 7 ILE HD12 . 30752 1 70 . 1 . 1 7 7 ILE HD13 H 1 0.845 0.0 . 1 . . . . A 7 ILE HD13 . 30752 1 71 . 1 . 1 7 7 ILE CA C 13 67.608 0.0 . 1 . . . . A 7 ILE CA . 30752 1 72 . 1 . 1 7 7 ILE CB C 13 38.548 0.0 . 1 . . . . A 7 ILE CB . 30752 1 73 . 1 . 1 7 7 ILE N N 15 121.495 0.0 . 1 . . . . A 7 ILE N . 30752 1 74 . 1 . 1 8 8 GLY H H 1 8.608 0.0 . 1 . . . . A 8 GLY H . 30752 1 75 . 1 . 1 8 8 GLY HA2 H 1 4.04 0.0 . 2 . . . . A 8 GLY HA2 . 30752 1 76 . 1 . 1 8 8 GLY HA3 H 1 3.853 0.0 . 2 . . . . A 8 GLY HA3 . 30752 1 77 . 1 . 1 8 8 GLY CA C 13 47.381 0.0 . 1 . . . . A 8 GLY CA . 30752 1 78 . 1 . 1 8 8 GLY N N 15 107.438 0.0 . 1 . . . . A 8 GLY N . 30752 1 79 . 1 . 1 9 9 SER H H 1 8.147 0.0 . 1 . . . . A 9 SER H . 30752 1 80 . 1 . 1 9 9 SER HA H 1 4.362 0.0 . 1 . . . . A 9 SER HA . 30752 1 81 . 1 . 1 9 9 SER HB2 H 1 4.185 0.0 . 2 . . . . A 9 SER HB2 . 30752 1 82 . 1 . 1 9 9 SER HB3 H 1 4.048 0.0 . 2 . . . . A 9 SER HB3 . 30752 1 83 . 1 . 1 9 9 SER CA C 13 62.539 0.0 . 1 . . . . A 9 SER CA . 30752 1 84 . 1 . 1 9 9 SER CB C 13 64.31 0.0 . 1 . . . . A 9 SER CB . 30752 1 85 . 1 . 1 9 9 SER N N 15 119.27 0.0 . 1 . . . . A 9 SER N . 30752 1 86 . 1 . 1 10 10 LYS H H 1 8.321 0.0 . 1 . . . . A 10 LYS H . 30752 1 87 . 1 . 1 10 10 LYS HA H 1 4.117 0.0 . 1 . . . . A 10 LYS HA . 30752 1 88 . 1 . 1 10 10 LYS HB2 H 1 2.023 0.0 . 2 . . . . A 10 LYS HB2 . 30752 1 89 . 1 . 1 10 10 LYS HB3 H 1 1.923 0.0 . 2 . . . . A 10 LYS HB3 . 30752 1 90 . 1 . 1 10 10 LYS HG2 H 1 1.387 0.0 . 2 . . . . A 10 LYS HG2 . 30752 1 91 . 1 . 1 10 10 LYS HD2 H 1 1.729 0.0 . 2 . . . . A 10 LYS HD2 . 30752 1 92 . 1 . 1 10 10 LYS HE2 H 1 2.753 0.0 . 2 . . . . A 10 LYS HE2 . 30752 1 93 . 1 . 1 10 10 LYS CA C 13 60.007 0.0 . 1 . . . . A 10 LYS CA . 30752 1 94 . 1 . 1 10 10 LYS CB C 13 32.383 0.0 . 1 . . . . A 10 LYS CB . 30752 1 95 . 1 . 1 10 10 LYS CG C 13 25.818 0.0 . 1 . . . . A 10 LYS CG . 30752 1 96 . 1 . 1 10 10 LYS CD C 13 30.301 0.0 . 1 . . . . A 10 LYS CD . 30752 1 97 . 1 . 1 10 10 LYS CE C 13 40.687 0.0 . 1 . . . . A 10 LYS CE . 30752 1 98 . 1 . 1 10 10 LYS N N 15 124.8 0.0 . 1 . . . . A 10 LYS N . 30752 1 99 . 1 . 1 11 11 LYS H H 1 8.547 0.0 . 1 . . . . A 11 LYS H . 30752 1 100 . 1 . 1 11 11 LYS HA H 1 4.166 0.0 . 1 . . . . A 11 LYS HA . 30752 1 101 . 1 . 1 11 11 LYS HB2 H 1 1.824 0.0 . 2 . . . . A 11 LYS HB2 . 30752 1 102 . 1 . 1 11 11 LYS HG2 H 1 1.352 0.0 . 2 . . . . A 11 LYS HG2 . 30752 1 103 . 1 . 1 11 11 LYS HD2 H 1 1.721 0.0 . 2 . . . . A 11 LYS HD2 . 30752 1 104 . 1 . 1 11 11 LYS HE2 H 1 3.133 0.0 . 2 . . . . A 11 LYS HE2 . 30752 1 105 . 1 . 1 11 11 LYS CA C 13 61.152 0.0 . 1 . . . . A 11 LYS CA . 30752 1 106 . 1 . 1 11 11 LYS CB C 13 33.208 0.0 . 1 . . . . A 11 LYS CB . 30752 1 107 . 1 . 1 11 11 LYS CG C 13 27.106 0.0 . 1 . . . . A 11 LYS CG . 30752 1 108 . 1 . 1 11 11 LYS CD C 13 29.258 0.0 . 1 . . . . A 11 LYS CD . 30752 1 109 . 1 . 1 11 11 LYS CE C 13 41.766 0.0 . 1 . . . . A 11 LYS CE . 30752 1 110 . 1 . 1 11 11 LYS N N 15 118.98 0.0 . 1 . . . . A 11 LYS N . 30752 1 111 . 1 . 1 12 12 HIS H H 1 8.201 0.0 . 1 . . . . A 12 HIS H . 30752 1 112 . 1 . 1 12 12 HIS HA H 1 4.397 0.0 . 1 . . . . A 12 HIS HA . 30752 1 113 . 1 . 1 12 12 HIS HB2 H 1 3.362 0.0 . 2 . . . . A 12 HIS HB2 . 30752 1 114 . 1 . 1 12 12 HIS CA C 13 60.368 0.0 . 1 . . . . A 12 HIS CA . 30752 1 115 . 1 . 1 12 12 HIS CB C 13 30.139 0.0 . 1 . . . . A 12 HIS CB . 30752 1 116 . 1 . 1 12 12 HIS N N 15 119.154 0.0 . 1 . . . . A 12 HIS N . 30752 1 117 . 1 . 1 13 13 MET H H 1 8.318 0.0 . 1 . . . . A 13 MET H . 30752 1 118 . 1 . 1 13 13 MET HA H 1 4.303 0.0 . 1 . . . . A 13 MET HA . 30752 1 119 . 1 . 1 13 13 MET HB2 H 1 2.316 0.0 . 2 . . . . A 13 MET HB2 . 30752 1 120 . 1 . 1 13 13 MET HB3 H 1 2.233 0.0 . 2 . . . . A 13 MET HB3 . 30752 1 121 . 1 . 1 13 13 MET HG2 H 1 2.71 0.0 . 2 . . . . A 13 MET HG2 . 30752 1 122 . 1 . 1 13 13 MET CA C 13 55.175 0.0 . 1 . . . . A 13 MET CA . 30752 1 123 . 1 . 1 13 13 MET CB C 13 32.36 0.0 . 1 . . . . A 13 MET CB . 30752 1 124 . 1 . 1 13 13 MET N N 15 120.685 0.0 . 1 . . . . A 13 MET N . 30752 1 125 . 1 . 1 14 14 GLU H H 1 8.474 0.0 . 1 . . . . A 14 GLU H . 30752 1 126 . 1 . 1 14 14 GLU HA H 1 3.95 0.0 . 1 . . . . A 14 GLU HA . 30752 1 127 . 1 . 1 14 14 GLU HB2 H 1 2.263 0.0 . 2 . . . . A 14 GLU HB2 . 30752 1 128 . 1 . 1 14 14 GLU HB3 H 1 2.159 0.0 . 2 . . . . A 14 GLU HB3 . 30752 1 129 . 1 . 1 14 14 GLU HG2 H 1 2.585 0.0 . 2 . . . . A 14 GLU HG2 . 30752 1 130 . 1 . 1 14 14 GLU HG3 H 1 2.514 0.0 . 2 . . . . A 14 GLU HG3 . 30752 1 131 . 1 . 1 14 14 GLU CA C 13 62.694 0.0 . 1 . . . . A 14 GLU CA . 30752 1 132 . 1 . 1 14 14 GLU CB C 13 30.741 0.0 . 1 . . . . A 14 GLU CB . 30752 1 133 . 1 . 1 14 14 GLU CG C 13 37.374 0.0 . 1 . . . . A 14 GLU CG . 30752 1 134 . 1 . 1 14 14 GLU N N 15 118.873 0.0 . 1 . . . . A 14 GLU N . 30752 1 135 . 1 . 1 15 15 LYS H H 1 8.102 0.0 . 1 . . . . A 15 LYS H . 30752 1 136 . 1 . 1 15 15 LYS HA H 1 4.103 0.0 . 1 . . . . A 15 LYS HA . 30752 1 137 . 1 . 1 15 15 LYS HB2 H 1 1.87 0.0 . 2 . . . . A 15 LYS HB2 . 30752 1 138 . 1 . 1 15 15 LYS HB3 H 1 2.046 0.0 . 2 . . . . A 15 LYS HB3 . 30752 1 139 . 1 . 1 15 15 LYS HG2 H 1 1.435 0.0 . 2 . . . . A 15 LYS HG2 . 30752 1 140 . 1 . 1 15 15 LYS HD2 H 1 1.633 0.0 . 2 . . . . A 15 LYS HD2 . 30752 1 141 . 1 . 1 15 15 LYS HE2 H 1 2.961 0.0 . 2 . . . . A 15 LYS HE2 . 30752 1 142 . 1 . 1 15 15 LYS CA C 13 59.786 0.0 . 1 . . . . A 15 LYS CA . 30752 1 143 . 1 . 1 15 15 LYS CB C 13 32.964 0.0 . 1 . . . . A 15 LYS CB . 30752 1 144 . 1 . 1 15 15 LYS CG C 13 25.24 0.0 . 1 . . . . A 15 LYS CG . 30752 1 145 . 1 . 1 15 15 LYS CD C 13 29.445 0.0 . 1 . . . . A 15 LYS CD . 30752 1 146 . 1 . 1 15 15 LYS N N 15 121.886 0.0 . 1 . . . . A 15 LYS N . 30752 1 147 . 1 . 1 16 16 LEU H H 1 7.841 0.0 . 1 . . . . A 16 LEU H . 30752 1 148 . 1 . 1 16 16 LEU HA H 1 4.117 0.0 . 1 . . . . A 16 LEU HA . 30752 1 149 . 1 . 1 16 16 LEU HB2 H 1 2.045 0.0 . 2 . . . . A 16 LEU HB2 . 30752 1 150 . 1 . 1 16 16 LEU HG H 1 1.521 0.0 . 1 . . . . A 16 LEU HG . 30752 1 151 . 1 . 1 16 16 LEU HD11 H 1 1.025 0.0 . 2 . . . . A 16 LEU HD11 . 30752 1 152 . 1 . 1 16 16 LEU HD12 H 1 1.025 0.0 . 2 . . . . A 16 LEU HD12 . 30752 1 153 . 1 . 1 16 16 LEU HD13 H 1 1.025 0.0 . 2 . . . . A 16 LEU HD13 . 30752 1 154 . 1 . 1 16 16 LEU HD21 H 1 0.945 0.0 . 2 . . . . A 16 LEU HD21 . 30752 1 155 . 1 . 1 16 16 LEU HD22 H 1 0.945 0.0 . 2 . . . . A 16 LEU HD22 . 30752 1 156 . 1 . 1 16 16 LEU HD23 H 1 0.945 0.0 . 2 . . . . A 16 LEU HD23 . 30752 1 157 . 1 . 1 16 16 LEU CA C 13 58.141 0.0 . 1 . . . . A 16 LEU CA . 30752 1 158 . 1 . 1 16 16 LEU CB C 13 42.801 0.0 . 1 . . . . A 16 LEU CB . 30752 1 159 . 1 . 1 16 16 LEU CG C 13 27.424 0.0 . 1 . . . . A 16 LEU CG . 30752 1 160 . 1 . 1 16 16 LEU N N 15 121.109 0.0 . 1 . . . . A 16 LEU N . 30752 1 161 . 1 . 1 17 17 ILE H H 1 8.633 0.0 . 1 . . . . A 17 ILE H . 30752 1 162 . 1 . 1 17 17 ILE HA H 1 3.708 0.0 . 1 . . . . A 17 ILE HA . 30752 1 163 . 1 . 1 17 17 ILE HB H 1 2.0 0.0 . 1 . . . . A 17 ILE HB . 30752 1 164 . 1 . 1 17 17 ILE HG12 H 1 1.242 0.0 . 1 . . . . A 17 ILE HG12 . 30752 1 165 . 1 . 1 17 17 ILE HG13 H 1 0.934 0.0 . 1 . . . . A 17 ILE HG13 . 30752 1 166 . 1 . 1 17 17 ILE HG21 H 1 0.846 0.0 . 1 . . . . A 17 ILE HG21 . 30752 1 167 . 1 . 1 17 17 ILE HG22 H 1 0.846 0.0 . 1 . . . . A 17 ILE HG22 . 30752 1 168 . 1 . 1 17 17 ILE HG23 H 1 0.846 0.0 . 1 . . . . A 17 ILE HG23 . 30752 1 169 . 1 . 1 17 17 ILE HD11 H 1 0.822 0.0 . 1 . . . . A 17 ILE HD11 . 30752 1 170 . 1 . 1 17 17 ILE HD12 H 1 0.822 0.0 . 1 . . . . A 17 ILE HD12 . 30752 1 171 . 1 . 1 17 17 ILE HD13 H 1 0.822 0.0 . 1 . . . . A 17 ILE HD13 . 30752 1 172 . 1 . 1 17 17 ILE CA C 13 67.608 0.0 . 1 . . . . A 17 ILE CA . 30752 1 173 . 1 . 1 17 17 ILE CB C 13 38.751 0.0 . 1 . . . . A 17 ILE CB . 30752 1 174 . 1 . 1 17 17 ILE N N 15 120.621 0.0 . 1 . . . . A 17 ILE N . 30752 1 175 . 1 . 1 18 18 SER H H 1 7.897 0.0 . 1 . . . . A 18 SER H . 30752 1 176 . 1 . 1 18 18 SER HA H 1 4.177 0.0 . 1 . . . . A 18 SER HA . 30752 1 177 . 1 . 1 18 18 SER HB2 H 1 4.04 0.0 . 2 . . . . A 18 SER HB2 . 30752 1 178 . 1 . 1 18 18 SER CA C 13 62.69 0.0 . 1 . . . . A 18 SER CA . 30752 1 179 . 1 . 1 18 18 SER CB C 13 64.54 0.0 . 1 . . . . A 18 SER CB . 30752 1 180 . 1 . 1 18 18 SER N N 15 115.904 0.0 . 1 . . . . A 18 SER N . 30752 1 181 . 1 . 1 19 19 ILE H H 1 7.922 0.0 . 1 . . . . A 19 ILE H . 30752 1 182 . 1 . 1 19 19 ILE HA H 1 3.797 0.0 . 1 . . . . A 19 ILE HA . 30752 1 183 . 1 . 1 19 19 ILE HB H 1 2.171 0.0 . 1 . . . . A 19 ILE HB . 30752 1 184 . 1 . 1 19 19 ILE HG12 H 1 1.126 0.0 . 1 . . . . A 19 ILE HG12 . 30752 1 185 . 1 . 1 19 19 ILE HG13 H 1 0.95 0.0 . 1 . . . . A 19 ILE HG13 . 30752 1 186 . 1 . 1 19 19 ILE HG21 H 1 1.135 0.0 . 1 . . . . A 19 ILE HG21 . 30752 1 187 . 1 . 1 19 19 ILE HG22 H 1 1.135 0.0 . 1 . . . . A 19 ILE HG22 . 30752 1 188 . 1 . 1 19 19 ILE HG23 H 1 1.135 0.0 . 1 . . . . A 19 ILE HG23 . 30752 1 189 . 1 . 1 19 19 ILE HD11 H 1 0.95 0.0 . 1 . . . . A 19 ILE HD11 . 30752 1 190 . 1 . 1 19 19 ILE HD12 H 1 0.95 0.0 . 1 . . . . A 19 ILE HD12 . 30752 1 191 . 1 . 1 19 19 ILE HD13 H 1 0.95 0.0 . 1 . . . . A 19 ILE HD13 . 30752 1 192 . 1 . 1 19 19 ILE CA C 13 65.892 0.0 . 1 . . . . A 19 ILE CA . 30752 1 193 . 1 . 1 19 19 ILE CB C 13 39.105 0.0 . 1 . . . . A 19 ILE CB . 30752 1 194 . 1 . 1 19 19 ILE N N 15 124.443 0.0 . 1 . . . . A 19 ILE N . 30752 1 195 . 1 . 1 20 20 ILE H H 1 8.384 0.0 . 1 . . . . A 20 ILE H . 30752 1 196 . 1 . 1 20 20 ILE HA H 1 3.643 0.0 . 1 . . . . A 20 ILE HA . 30752 1 197 . 1 . 1 20 20 ILE HB H 1 2.007 0.0 . 1 . . . . A 20 ILE HB . 30752 1 198 . 1 . 1 20 20 ILE HG12 H 1 1.216 0.0 . 1 . . . . A 20 ILE HG12 . 30752 1 199 . 1 . 1 20 20 ILE HG21 H 1 0.838 0.0 . 1 . . . . A 20 ILE HG21 . 30752 1 200 . 1 . 1 20 20 ILE HG22 H 1 0.838 0.0 . 1 . . . . A 20 ILE HG22 . 30752 1 201 . 1 . 1 20 20 ILE HG23 H 1 0.838 0.0 . 1 . . . . A 20 ILE HG23 . 30752 1 202 . 1 . 1 20 20 ILE HD11 H 1 0.774 0.0 . 1 . . . . A 20 ILE HD11 . 30752 1 203 . 1 . 1 20 20 ILE HD12 H 1 0.774 0.0 . 1 . . . . A 20 ILE HD12 . 30752 1 204 . 1 . 1 20 20 ILE HD13 H 1 0.774 0.0 . 1 . . . . A 20 ILE HD13 . 30752 1 205 . 1 . 1 20 20 ILE CA C 13 65.935 0.0 . 1 . . . . A 20 ILE CA . 30752 1 206 . 1 . 1 20 20 ILE CB C 13 37.777 0.0 . 1 . . . . A 20 ILE CB . 30752 1 207 . 1 . 1 20 20 ILE N N 15 122.138 0.0 . 1 . . . . A 20 ILE N . 30752 1 208 . 1 . 1 21 21 LYS H H 1 8.645 0.0 . 1 . . . . A 21 LYS H . 30752 1 209 . 1 . 1 21 21 LYS HA H 1 3.975 0.0 . 1 . . . . A 21 LYS HA . 30752 1 210 . 1 . 1 21 21 LYS HB2 H 1 1.883 0.0 . 2 . . . . A 21 LYS HB2 . 30752 1 211 . 1 . 1 21 21 LYS HG2 H 1 1.435 0.0 . 2 . . . . A 21 LYS HG2 . 30752 1 212 . 1 . 1 21 21 LYS HD2 H 1 1.674 0.0 . 2 . . . . A 21 LYS HD2 . 30752 1 213 . 1 . 1 21 21 LYS HE2 H 1 2.999 0.0 . 2 . . . . A 21 LYS HE2 . 30752 1 214 . 1 . 1 21 21 LYS CA C 13 59.982 0.0 . 1 . . . . A 21 LYS CA . 30752 1 215 . 1 . 1 21 21 LYS CB C 13 32.126 0.0 . 1 . . . . A 21 LYS CB . 30752 1 216 . 1 . 1 21 21 LYS CG C 13 26.319 0.0 . 1 . . . . A 21 LYS CG . 30752 1 217 . 1 . 1 21 21 LYS CD C 13 31.006 0.0 . 1 . . . . A 21 LYS CD . 30752 1 218 . 1 . 1 21 21 LYS CE C 13 41.514 0.0 . 1 . . . . A 21 LYS CE . 30752 1 219 . 1 . 1 21 21 LYS N N 15 118.882 0.0 . 1 . . . . A 21 LYS N . 30752 1 220 . 1 . 1 22 22 LYS H H 1 7.84 0.0 . 1 . . . . A 22 LYS H . 30752 1 221 . 1 . 1 22 22 LYS HA H 1 4.159 0.0 . 1 . . . . A 22 LYS HA . 30752 1 222 . 1 . 1 22 22 LYS HB2 H 1 1.917 0.0 . 2 . . . . A 22 LYS HB2 . 30752 1 223 . 1 . 1 22 22 LYS HG2 H 1 1.619 0.0 . 2 . . . . A 22 LYS HG2 . 30752 1 224 . 1 . 1 22 22 LYS HD2 H 1 1.619 0.0 . 2 . . . . A 22 LYS HD2 . 30752 1 225 . 1 . 1 22 22 LYS HE2 H 1 3.013 0.0 . 2 . . . . A 22 LYS HE2 . 30752 1 226 . 1 . 1 22 22 LYS CA C 13 59.746 0.0 . 1 . . . . A 22 LYS CA . 30752 1 227 . 1 . 1 22 22 LYS CB C 13 33.432 0.0 . 1 . . . . A 22 LYS CB . 30752 1 228 . 1 . 1 22 22 LYS CG C 13 25.176 0.0 . 1 . . . . A 22 LYS CG . 30752 1 229 . 1 . 1 22 22 LYS CD C 13 30.951 0.0 . 1 . . . . A 22 LYS CD . 30752 1 230 . 1 . 1 22 22 LYS CE C 13 41.982 0.0 . 1 . . . . A 22 LYS CE . 30752 1 231 . 1 . 1 22 22 LYS N N 15 119.427 0.0 . 1 . . . . A 22 LYS N . 30752 1 232 . 1 . 1 23 23 CYS H H 1 8.352 0.0 . 1 . . . . A 23 CYS H . 30752 1 233 . 1 . 1 23 23 CYS HA H 1 4.35 0.0 . 1 . . . . A 23 CYS HA . 30752 1 234 . 1 . 1 23 23 CYS HB2 H 1 3.213 0.0 . 2 . . . . A 23 CYS HB2 . 30752 1 235 . 1 . 1 23 23 CYS HB3 H 1 3.08 0.0 . 2 . . . . A 23 CYS HB3 . 30752 1 236 . 1 . 1 23 23 CYS CA C 13 57.942 0.0 . 1 . . . . A 23 CYS CA . 30752 1 237 . 1 . 1 23 23 CYS CB C 13 36.477 0.0 . 1 . . . . A 23 CYS CB . 30752 1 238 . 1 . 1 23 23 CYS N N 15 118.926 0.0 . 1 . . . . A 23 CYS N . 30752 1 239 . 1 . 1 24 24 ARG H H 1 8.25 0.0 . 1 . . . . A 24 ARG H . 30752 1 240 . 1 . 1 24 24 ARG HA H 1 4.304 0.0 . 1 . . . . A 24 ARG HA . 30752 1 241 . 1 . 1 24 24 ARG HB2 H 1 2.007 0.0 . 2 . . . . A 24 ARG HB2 . 30752 1 242 . 1 . 1 24 24 ARG HB3 H 1 1.922 0.0 . 2 . . . . A 24 ARG HB3 . 30752 1 243 . 1 . 1 24 24 ARG HG2 H 1 1.826 0.0 . 2 . . . . A 24 ARG HG2 . 30752 1 244 . 1 . 1 24 24 ARG HG3 H 1 1.705 0.0 . 2 . . . . A 24 ARG HG3 . 30752 1 245 . 1 . 1 24 24 ARG HD2 H 1 3.204 0.0 . 2 . . . . A 24 ARG HD2 . 30752 1 246 . 1 . 1 24 24 ARG HD3 H 1 3.204 0.0 . 2 . . . . A 24 ARG HD3 . 30752 1 247 . 1 . 1 24 24 ARG HE H 1 7.157 0.0 . 1 . . . . A 24 ARG HE . 30752 1 248 . 1 . 1 24 24 ARG CA C 13 59.345 0.0 . 1 . . . . A 24 ARG CA . 30752 1 249 . 1 . 1 24 24 ARG CB C 13 30.991 0.0 . 1 . . . . A 24 ARG CB . 30752 1 250 . 1 . 1 24 24 ARG CG C 13 28.079 0.0 . 1 . . . . A 24 ARG CG . 30752 1 251 . 1 . 1 24 24 ARG N N 15 120.32 0.0 . 1 . . . . A 24 ARG N . 30752 1 stop_ save_