################################### # 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 53511 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name CTX_15N _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-15N HSQC' . . . 53511 1 2 '3D 15N-separated NOESY' . . . 53511 1 3 '3D 15N-separated TOCSY' . . . 53511 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 1 $software_1 . . 53511 1 3 $software_3 . . 53511 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 3 3 THR H H 1 8.062 0.002 . 1 . . . . . 3 THR H . 53511 1 2 . 1 . 1 3 3 THR HA H 1 4.967 . . 1 . . . . . 3 THR HA . 53511 1 3 . 1 . 1 3 3 THR HB H 1 4.404 . . 1 . . . . . 3 THR HB . 53511 1 4 . 1 . 1 3 3 THR HG21 H 1 1.306 0.000 . 1 . . . . . 3 THR MG . 53511 1 5 . 1 . 1 3 3 THR HG22 H 1 1.306 0.000 . 1 . . . . . 3 THR MG . 53511 1 6 . 1 . 1 3 3 THR HG23 H 1 1.306 0.000 . 1 . . . . . 3 THR MG . 53511 1 7 . 1 . 1 3 3 THR N N 15 113.324 0.000 . 1 . . . . . 3 THR N . 53511 1 8 . 1 . 1 4 4 ASN H H 1 8.600 0.006 . 1 . . . . . 4 ASN H . 53511 1 9 . 1 . 1 4 4 ASN N N 15 119.781 0.015 . 1 . . . . . 4 ASN N . 53511 1 10 . 1 . 1 5 5 VAL H H 1 8.304 0.003 . 1 . . . . . 5 VAL H . 53511 1 11 . 1 . 1 5 5 VAL HA H 1 4.025 0.000 . 1 . . . . . 5 VAL HA . 53511 1 12 . 1 . 1 5 5 VAL HB H 1 1.900 0.016 . 1 . . . . . 5 VAL HB . 53511 1 13 . 1 . 1 5 5 VAL HG11 H 1 1.071 0.012 . 2 . . . . . 5 VAL MG1 . 53511 1 14 . 1 . 1 5 5 VAL HG12 H 1 1.071 0.012 . 2 . . . . . 5 VAL MG1 . 53511 1 15 . 1 . 1 5 5 VAL HG13 H 1 1.071 0.012 . 2 . . . . . 5 VAL MG1 . 53511 1 16 . 1 . 1 5 5 VAL HG21 H 1 1.071 0.012 . 2 . . . . . 5 VAL MG2 . 53511 1 17 . 1 . 1 5 5 VAL HG22 H 1 1.071 0.012 . 2 . . . . . 5 VAL MG2 . 53511 1 18 . 1 . 1 5 5 VAL HG23 H 1 1.071 0.012 . 2 . . . . . 5 VAL MG2 . 53511 1 19 . 1 . 1 5 5 VAL N N 15 123.456 0.000 . 1 . . . . . 5 VAL N . 53511 1 20 . 1 . 1 6 6 SER H H 1 8.687 0.003 . 1 . . . . . 6 SER H . 53511 1 21 . 1 . 1 6 6 SER HA H 1 5.152 0.000 . 1 . . . . . 6 SER HA . 53511 1 22 . 1 . 1 6 6 SER HB2 H 1 4.008 0.001 . 2 . . . . . 6 SER HB2 . 53511 1 23 . 1 . 1 6 6 SER HB3 H 1 4.008 0.001 . 2 . . . . . 6 SER HB3 . 53511 1 24 . 1 . 1 6 6 SER N N 15 124.079 0.000 . 1 . . . . . 6 SER N . 53511 1 25 . 1 . 1 7 7 CYS H H 1 8.078 0.003 . 1 . . . . . 7 CYS H . 53511 1 26 . 1 . 1 7 7 CYS HA H 1 4.928 0.000 . 1 . . . . . 7 CYS HA . 53511 1 27 . 1 . 1 7 7 CYS HB2 H 1 3.178 0.017 . 1 . . . . . 7 CYS HB2 . 53511 1 28 . 1 . 1 7 7 CYS HB3 H 1 2.984 0.000 . 1 . . . . . 7 CYS HB3 . 53511 1 29 . 1 . 1 7 7 CYS N N 15 116.464 0.000 . 1 . . . . . 7 CYS N . 53511 1 30 . 1 . 1 8 8 THR H H 1 9.668 0.003 . 1 . . . . . 8 THR H . 53511 1 31 . 1 . 1 8 8 THR HA H 1 4.836 0.000 . 1 . . . . . 8 THR HA . 53511 1 32 . 1 . 1 8 8 THR HB H 1 4.525 . . 1 . . . . . 8 THR HB . 53511 1 33 . 1 . 1 8 8 THR HG21 H 1 1.289 0.000 . 1 . . . . . 8 THR MG . 53511 1 34 . 1 . 1 8 8 THR HG22 H 1 1.289 0.000 . 1 . . . . . 8 THR MG . 53511 1 35 . 1 . 1 8 8 THR HG23 H 1 1.289 0.000 . 1 . . . . . 8 THR MG . 53511 1 36 . 1 . 1 8 8 THR N N 15 112.466 0.006 . 1 . . . . . 8 THR N . 53511 1 37 . 1 . 1 9 9 THR H H 1 8.358 0.001 . 1 . . . . . 9 THR H . 53511 1 38 . 1 . 1 9 9 THR HA H 1 4.931 0.000 . 1 . . . . . 9 THR HA . 53511 1 39 . 1 . 1 9 9 THR HB H 1 4.513 . . 1 . . . . . 9 THR HB . 53511 1 40 . 1 . 1 9 9 THR HG21 H 1 1.289 0.000 . 1 . . . . . 9 THR MG . 53511 1 41 . 1 . 1 9 9 THR HG22 H 1 1.289 0.000 . 1 . . . . . 9 THR MG . 53511 1 42 . 1 . 1 9 9 THR HG23 H 1 1.289 0.000 . 1 . . . . . 9 THR MG . 53511 1 43 . 1 . 1 9 9 THR N N 15 114.145 0.002 . 1 . . . . . 9 THR N . 53511 1 44 . 1 . 1 10 10 SER H H 1 8.732 0.002 . 1 . . . . . 10 SER H . 53511 1 45 . 1 . 1 10 10 SER N N 15 123.524 0.007 . 1 . . . . . 10 SER N . 53511 1 46 . 1 . 1 12 12 GLU H H 1 7.367 0.003 . 1 . . . . . 12 GLU H . 53511 1 47 . 1 . 1 12 12 GLU HA H 1 4.143 0.003 . 1 . . . . . 12 GLU HA . 53511 1 48 . 1 . 1 12 12 GLU N N 15 117.397 0.000 . 1 . . . . . 12 GLU N . 53511 1 49 . 1 . 1 13 13 CYS H H 1 7.614 0.003 . 1 . . . . . 13 CYS H . 53511 1 50 . 1 . 1 13 13 CYS HA H 1 4.775 0.000 . 1 . . . . . 13 CYS HA . 53511 1 51 . 1 . 1 13 13 CYS HB2 H 1 3.039 0.000 . 1 . . . . . 13 CYS HB2 . 53511 1 52 . 1 . 1 13 13 CYS HB3 H 1 2.880 0.000 . 1 . . . . . 13 CYS HB3 . 53511 1 53 . 1 . 1 13 13 CYS N N 15 113.791 0.001 . 1 . . . . . 13 CYS N . 53511 1 54 . 1 . 1 14 14 TRP H H 1 7.872 0.003 . 1 . . . . . 14 TRP H . 53511 1 55 . 1 . 1 14 14 TRP HA H 1 4.606 0.000 . 1 . . . . . 14 TRP HA . 53511 1 56 . 1 . 1 14 14 TRP HB2 H 1 3.559 0.000 . 2 . . . . . 14 TRP HB2 . 53511 1 57 . 1 . 1 14 14 TRP HB3 H 1 3.559 0.000 . 2 . . . . . 14 TRP HB3 . 53511 1 58 . 1 . 1 14 14 TRP HE1 H 1 10.019 0.004 . 1 . . . . . 14 TRP HE1 . 53511 1 59 . 1 . 1 14 14 TRP N N 15 125.224 0.004 . 1 . . . . . 14 TRP N . 53511 1 60 . 1 . 1 14 14 TRP NE1 N 15 128.127 0.005 . 1 . . . . . 14 TRP NE1 . 53511 1 61 . 1 . 1 16 16 VAL H H 1 7.166 0.003 . 1 . . . . . 16 VAL H . 53511 1 62 . 1 . 1 16 16 VAL HA H 1 3.764 0.000 . 1 . . . . . 16 VAL HA . 53511 1 63 . 1 . 1 16 16 VAL HB H 1 2.231 0.005 . 1 . . . . . 16 VAL HB . 53511 1 64 . 1 . 1 16 16 VAL HG11 H 1 1.260 0.000 . 2 . . . . . 16 VAL MG1 . 53511 1 65 . 1 . 1 16 16 VAL HG12 H 1 1.260 0.000 . 2 . . . . . 16 VAL MG1 . 53511 1 66 . 1 . 1 16 16 VAL HG13 H 1 1.260 0.000 . 2 . . . . . 16 VAL MG1 . 53511 1 67 . 1 . 1 16 16 VAL HG21 H 1 1.026 0.000 . 2 . . . . . 16 VAL MG2 . 53511 1 68 . 1 . 1 16 16 VAL HG22 H 1 1.026 0.000 . 2 . . . . . 16 VAL MG2 . 53511 1 69 . 1 . 1 16 16 VAL HG23 H 1 1.026 0.000 . 2 . . . . . 16 VAL MG2 . 53511 1 70 . 1 . 1 16 16 VAL N N 15 123.030 0.002 . 1 . . . . . 16 VAL N . 53511 1 71 . 1 . 1 17 17 CYS H H 1 8.615 0.003 . 1 . . . . . 17 CYS H . 53511 1 72 . 1 . 1 17 17 CYS HA H 1 4.523 0.000 . 1 . . . . . 17 CYS HA . 53511 1 73 . 1 . 1 17 17 CYS HB2 H 1 3.111 0.022 . 2 . . . . . 17 CYS HB2 . 53511 1 74 . 1 . 1 17 17 CYS HB3 H 1 3.111 0.022 . 2 . . . . . 17 CYS HB3 . 53511 1 75 . 1 . 1 17 17 CYS N N 15 117.506 0.018 . 1 . . . . . 17 CYS N . 53511 1 76 . 1 . 1 18 18 GLN H H 1 8.058 0.003 . 1 . . . . . 18 GLN H . 53511 1 77 . 1 . 1 18 18 GLN HA H 1 3.887 0.007 . 1 . . . . . 18 GLN HA . 53511 1 78 . 1 . 1 18 18 GLN HB2 H 1 2.175 0.000 . 2 . . . . . 18 GLN HB2 . 53511 1 79 . 1 . 1 18 18 GLN HB3 H 1 2.175 0.000 . 2 . . . . . 18 GLN HB3 . 53511 1 80 . 1 . 1 18 18 GLN HG2 H 1 2.399 0.001 . 2 . . . . . 18 GLN HG2 . 53511 1 81 . 1 . 1 18 18 GLN HG3 H 1 2.399 0.001 . 2 . . . . . 18 GLN HG3 . 53511 1 82 . 1 . 1 18 18 GLN N N 15 124.414 0.018 . 1 . . . . . 18 GLN N . 53511 1 83 . 1 . 1 18 18 GLN NE2 N 15 111.521 0.003 . 1 . . . . . 18 GLN NE2 . 53511 1 84 . 1 . 1 19 19 ARG H H 1 7.827 0.004 . 1 . . . . . 19 ARG H . 53511 1 85 . 1 . 1 19 19 ARG HA H 1 4.214 . . 1 . . . . . 19 ARG HA . 53511 1 86 . 1 . 1 19 19 ARG HB2 H 1 2.032 0.006 . 2 . . . . . 19 ARG HB2 . 53511 1 87 . 1 . 1 19 19 ARG HB3 H 1 2.032 0.006 . 2 . . . . . 19 ARG HB3 . 53511 1 88 . 1 . 1 19 19 ARG HG2 H 1 1.766 . . 2 . . . . . 19 ARG HG2 . 53511 1 89 . 1 . 1 19 19 ARG HG3 H 1 1.766 . . 2 . . . . . 19 ARG HG3 . 53511 1 90 . 1 . 1 19 19 ARG HD2 H 1 3.324 . . 2 . . . . . 19 ARG HD2 . 53511 1 91 . 1 . 1 19 19 ARG HD3 H 1 3.324 . . 2 . . . . . 19 ARG HD3 . 53511 1 92 . 1 . 1 19 19 ARG N N 15 118.699 0.000 . 1 . . . . . 19 ARG N . 53511 1 93 . 1 . 1 20 20 LEU H H 1 8.477 0.004 . 1 . . . . . 20 LEU H . 53511 1 94 . 1 . 1 20 20 LEU HA H 1 4.210 0.002 . 1 . . . . . 20 LEU HA . 53511 1 95 . 1 . 1 20 20 LEU HB2 H 1 1.685 0.007 . 2 . . . . . 20 LEU HB2 . 53511 1 96 . 1 . 1 20 20 LEU HB3 H 1 1.685 0.007 . 2 . . . . . 20 LEU HB3 . 53511 1 97 . 1 . 1 20 20 LEU HD11 H 1 0.920 0.000 . 2 . . . . . 20 LEU MD1 . 53511 1 98 . 1 . 1 20 20 LEU HD12 H 1 0.920 0.000 . 2 . . . . . 20 LEU MD1 . 53511 1 99 . 1 . 1 20 20 LEU HD13 H 1 0.920 0.000 . 2 . . . . . 20 LEU MD1 . 53511 1 100 . 1 . 1 20 20 LEU HD21 H 1 0.920 0.000 . 2 . . . . . 20 LEU MD2 . 53511 1 101 . 1 . 1 20 20 LEU HD22 H 1 0.920 0.000 . 2 . . . . . 20 LEU MD2 . 53511 1 102 . 1 . 1 20 20 LEU HD23 H 1 0.920 0.000 . 2 . . . . . 20 LEU MD2 . 53511 1 103 . 1 . 1 20 20 LEU N N 15 116.303 0.001 . 1 . . . . . 20 LEU N . 53511 1 104 . 1 . 1 21 21 HIS H H 1 7.990 0.003 . 1 . . . . . 21 HIS H . 53511 1 105 . 1 . 1 21 21 HIS HA H 1 5.034 0.000 . 1 . . . . . 21 HIS HA . 53511 1 106 . 1 . 1 21 21 HIS HB2 H 1 2.753 0.000 . 1 . . . . . 21 HIS HB2 . 53511 1 107 . 1 . 1 21 21 HIS HB3 H 1 3.526 0.000 . 1 . . . . . 21 HIS HB3 . 53511 1 108 . 1 . 1 21 21 HIS N N 15 113.816 0.011 . 1 . . . . . 21 HIS N . 53511 1 109 . 1 . 1 22 22 ASN H H 1 7.863 0.004 . 1 . . . . . 22 ASN H . 53511 1 110 . 1 . 1 22 22 ASN HA H 1 4.819 0.000 . 1 . . . . . 22 ASN HA . 53511 1 111 . 1 . 1 22 22 ASN HB2 H 1 3.245 0.000 . 1 . . . . . 22 ASN HB2 . 53511 1 112 . 1 . 1 22 22 ASN HB3 H 1 2.776 0.007 . 1 . . . . . 22 ASN HB3 . 53511 1 113 . 1 . 1 22 22 ASN N N 15 116.883 0.000 . 1 . . . . . 22 ASN N . 53511 1 114 . 1 . 1 23 23 THR H H 1 7.463 0.007 . 1 . . . . . 23 THR H . 53511 1 115 . 1 . 1 23 23 THR HA H 1 4.861 0.000 . 1 . . . . . 23 THR HA . 53511 1 116 . 1 . 1 23 23 THR HB H 1 4.237 0.007 . 1 . . . . . 23 THR HB . 53511 1 117 . 1 . 1 23 23 THR HG21 H 1 1.113 0.000 . 1 . . . . . 23 THR MG . 53511 1 118 . 1 . 1 23 23 THR HG22 H 1 1.113 0.000 . 1 . . . . . 23 THR MG . 53511 1 119 . 1 . 1 23 23 THR HG23 H 1 1.113 0.000 . 1 . . . . . 23 THR MG . 53511 1 120 . 1 . 1 23 23 THR N N 15 110.978 0.010 . 1 . . . . . 23 THR N . 53511 1 121 . 1 . 1 24 24 SER H H 1 8.288 0.003 . 1 . . . . . 24 SER H . 53511 1 122 . 1 . 1 24 24 SER HA H 1 4.814 0.002 . 1 . . . . . 24 SER HA . 53511 1 123 . 1 . 1 24 24 SER HB2 H 1 3.883 0.007 . 2 . . . . . 24 SER HB2 . 53511 1 124 . 1 . 1 24 24 SER HB3 H 1 3.883 0.007 . 2 . . . . . 24 SER HB3 . 53511 1 125 . 1 . 1 24 24 SER N N 15 117.850 0.009 . 1 . . . . . 24 SER N . 53511 1 126 . 1 . 1 25 25 ARG H H 1 7.943 0.003 . 1 . . . . . 25 ARG H . 53511 1 127 . 1 . 1 25 25 ARG HA H 1 4.335 0.002 . 1 . . . . . 25 ARG HA . 53511 1 128 . 1 . 1 25 25 ARG HB2 H 1 1.890 0.000 . 2 . . . . . 25 ARG HB2 . 53511 1 129 . 1 . 1 25 25 ARG HB3 H 1 1.890 0.000 . 2 . . . . . 25 ARG HB3 . 53511 1 130 . 1 . 1 25 25 ARG HG2 H 1 1.562 0.000 . 2 . . . . . 25 ARG HG2 . 53511 1 131 . 1 . 1 25 25 ARG HG3 H 1 1.562 0.000 . 2 . . . . . 25 ARG HG3 . 53511 1 132 . 1 . 1 25 25 ARG HD2 H 1 3.086 0.000 . 2 . . . . . 25 ARG HD2 . 53511 1 133 . 1 . 1 25 25 ARG HD3 H 1 3.086 0.000 . 2 . . . . . 25 ARG HD3 . 53511 1 134 . 1 . 1 25 25 ARG N N 15 121.219 0.004 . 1 . . . . . 25 ARG N . 53511 1 135 . 1 . 1 26 26 GLY H H 1 7.624 0.007 . 1 . . . . . 26 GLY H . 53511 1 136 . 1 . 1 26 26 GLY HA2 H 1 3.859 0.001 . 1 . . . . . 26 GLY HA2 . 53511 1 137 . 1 . 1 26 26 GLY HA3 H 1 5.226 0.004 . 1 . . . . . 26 GLY HA3 . 53511 1 138 . 1 . 1 26 26 GLY N N 15 108.689 0.018 . 1 . . . . . 26 GLY N . 53511 1 139 . 1 . 1 27 27 LYS H H 1 9.372 0.006 . 1 . . . . . 27 LYS H . 53511 1 140 . 1 . 1 27 27 LYS HA H 1 4.851 0.000 . 1 . . . . . 27 LYS HA . 53511 1 141 . 1 . 1 27 27 LYS HB2 H 1 1.923 0.003 . 2 . . . . . 27 LYS HB2 . 53511 1 142 . 1 . 1 27 27 LYS HB3 H 1 1.923 0.003 . 2 . . . . . 27 LYS HB3 . 53511 1 143 . 1 . 1 27 27 LYS HG2 H 1 1.484 0.000 . 2 . . . . . 27 LYS HG2 . 53511 1 144 . 1 . 1 27 27 LYS HG3 H 1 1.484 0.000 . 2 . . . . . 27 LYS HG3 . 53511 1 145 . 1 . 1 27 27 LYS HE2 H 1 2.960 0.000 . 2 . . . . . 27 LYS HE2 . 53511 1 146 . 1 . 1 27 27 LYS HE3 H 1 2.960 0.000 . 2 . . . . . 27 LYS HE3 . 53511 1 147 . 1 . 1 27 27 LYS N N 15 118.639 0.006 . 1 . . . . . 27 LYS N . 53511 1 148 . 1 . 1 28 28 CYS H H 1 8.846 0.005 . 1 . . . . . 28 CYS H . 53511 1 149 . 1 . 1 28 28 CYS HA H 1 4.849 0.000 . 1 . . . . . 28 CYS HA . 53511 1 150 . 1 . 1 28 28 CYS HB2 H 1 2.757 0.000 . 2 . . . . . 28 CYS HB2 . 53511 1 151 . 1 . 1 28 28 CYS HB3 H 1 2.757 0.000 . 2 . . . . . 28 CYS HB3 . 53511 1 152 . 1 . 1 28 28 CYS N N 15 125.065 0.000 . 1 . . . . . 28 CYS N . 53511 1 153 . 1 . 1 29 29 MET H H 1 9.000 0.007 . 1 . . . . . 29 MET H . 53511 1 154 . 1 . 1 29 29 MET HA H 1 4.894 0.000 . 1 . . . . . 29 MET HA . 53511 1 155 . 1 . 1 29 29 MET HB2 H 1 2.202 0.000 . 1 . . . . . 29 MET HB2 . 53511 1 156 . 1 . 1 29 29 MET HB3 H 1 1.922 0.000 . 1 . . . . . 29 MET HB3 . 53511 1 157 . 1 . 1 29 29 MET HG2 H 1 2.552 0.000 . 2 . . . . . 29 MET HG2 . 53511 1 158 . 1 . 1 29 29 MET HG3 H 1 2.552 0.000 . 2 . . . . . 29 MET HG3 . 53511 1 159 . 1 . 1 29 29 MET N N 15 130.489 0.000 . 1 . . . . . 29 MET N . 53511 1 160 . 1 . 1 31 31 LYS H H 1 8.648 0.006 . 1 . . . . . 31 LYS H . 53511 1 161 . 1 . 1 31 31 LYS HA H 1 3.958 0.001 . 1 . . . . . 31 LYS HA . 53511 1 162 . 1 . 1 31 31 LYS HB2 H 1 2.269 0.005 . 2 . . . . . 31 LYS HB2 . 53511 1 163 . 1 . 1 31 31 LYS HB3 H 1 2.269 0.005 . 2 . . . . . 31 LYS HB3 . 53511 1 164 . 1 . 1 31 31 LYS HG2 H 1 1.466 0.000 . 2 . . . . . 31 LYS HG2 . 53511 1 165 . 1 . 1 31 31 LYS HG3 H 1 1.466 0.000 . 2 . . . . . 31 LYS HG3 . 53511 1 166 . 1 . 1 31 31 LYS HD2 H 1 1.820 0.000 . 2 . . . . . 31 LYS HD2 . 53511 1 167 . 1 . 1 31 31 LYS HD3 H 1 1.820 0.000 . 2 . . . . . 31 LYS HD3 . 53511 1 168 . 1 . 1 31 31 LYS HE2 H 1 3.112 0.000 . 2 . . . . . 31 LYS HE2 . 53511 1 169 . 1 . 1 31 31 LYS HE3 H 1 3.112 0.000 . 2 . . . . . 31 LYS HE3 . 53511 1 170 . 1 . 1 31 31 LYS N N 15 107.159 0.017 . 1 . . . . . 31 LYS N . 53511 1 171 . 1 . 1 32 32 LYS H H 1 7.750 0.007 . 1 . . . . . 32 LYS H . 53511 1 172 . 1 . 1 32 32 LYS HA H 1 5.398 0.000 . 1 . . . . . 32 LYS HA . 53511 1 173 . 1 . 1 32 32 LYS HB2 H 1 1.866 0.000 . 2 . . . . . 32 LYS HB2 . 53511 1 174 . 1 . 1 32 32 LYS HB3 H 1 1.866 0.000 . 2 . . . . . 32 LYS HB3 . 53511 1 175 . 1 . 1 32 32 LYS HG2 H 1 1.500 0.000 . 2 . . . . . 32 LYS HG2 . 53511 1 176 . 1 . 1 32 32 LYS HG3 H 1 1.500 0.000 . 2 . . . . . 32 LYS HG3 . 53511 1 177 . 1 . 1 32 32 LYS HE2 H 1 3.089 0.000 . 2 . . . . . 32 LYS HE2 . 53511 1 178 . 1 . 1 32 32 LYS HE3 H 1 3.089 0.000 . 2 . . . . . 32 LYS HE3 . 53511 1 179 . 1 . 1 32 32 LYS N N 15 119.323 0.009 . 1 . . . . . 32 LYS N . 53511 1 180 . 1 . 1 33 33 CYS H H 1 8.590 0.007 . 1 . . . . . 33 CYS H . 53511 1 181 . 1 . 1 33 33 CYS HA H 1 5.251 0.000 . 1 . . . . . 33 CYS HA . 53511 1 182 . 1 . 1 33 33 CYS HB2 H 1 2.676 0.000 . 1 . . . . . 33 CYS HB2 . 53511 1 183 . 1 . 1 33 33 CYS HB3 H 1 2.994 0.000 . 1 . . . . . 33 CYS HB3 . 53511 1 184 . 1 . 1 33 33 CYS N N 15 118.187 0.000 . 1 . . . . . 33 CYS N . 53511 1 185 . 1 . 1 34 34 ARG H H 1 9.675 0.012 . 1 . . . . . 34 ARG H . 53511 1 186 . 1 . 1 34 34 ARG HA H 1 4.990 0.000 . 1 . . . . . 34 ARG HA . 53511 1 187 . 1 . 1 34 34 ARG HB2 H 1 1.759 0.000 . 2 . . . . . 34 ARG HB2 . 53511 1 188 . 1 . 1 34 34 ARG HB3 H 1 1.759 0.000 . 2 . . . . . 34 ARG HB3 . 53511 1 189 . 1 . 1 34 34 ARG HG2 H 1 1.136 0.000 . 2 . . . . . 34 ARG HG2 . 53511 1 190 . 1 . 1 34 34 ARG HG3 H 1 1.136 0.000 . 2 . . . . . 34 ARG HG3 . 53511 1 191 . 1 . 1 34 34 ARG HD2 H 1 2.742 0.000 . 2 . . . . . 34 ARG HD2 . 53511 1 192 . 1 . 1 34 34 ARG HD3 H 1 2.742 0.000 . 2 . . . . . 34 ARG HD3 . 53511 1 193 . 1 . 1 34 34 ARG N N 15 126.940 0.000 . 1 . . . . . 34 ARG N . 53511 1 194 . 1 . 1 35 35 CYS H H 1 8.834 0.005 . 1 . . . . . 35 CYS H . 53511 1 195 . 1 . 1 35 35 CYS HA H 1 5.579 0.000 . 1 . . . . . 35 CYS HA . 53511 1 196 . 1 . 1 35 35 CYS HB2 H 1 2.516 0.000 . 1 . . . . . 35 CYS HB2 . 53511 1 197 . 1 . 1 35 35 CYS HB3 H 1 3.125 0.000 . 1 . . . . . 35 CYS HB3 . 53511 1 198 . 1 . 1 35 35 CYS N N 15 123.975 0.000 . 1 . . . . . 35 CYS N . 53511 1 199 . 1 . 1 36 36 TYR H H 1 8.381 0.003 . 1 . . . . . 36 TYR H . 53511 1 200 . 1 . 1 36 36 TYR HA H 1 4.906 0.000 . 1 . . . . . 36 TYR HA . 53511 1 201 . 1 . 1 36 36 TYR HB2 H 1 2.700 0.007 . 1 . . . . . 36 TYR HB2 . 53511 1 202 . 1 . 1 36 36 TYR HB3 H 1 3.122 0.011 . 1 . . . . . 36 TYR HB3 . 53511 1 203 . 1 . 1 36 36 TYR N N 15 122.789 0.001 . 1 . . . . . 36 TYR N . 53511 1 204 . 1 . 1 37 37 SER H H 1 8.230 0.006 . 1 . . . . . 37 SER H . 53511 1 205 . 1 . 1 37 37 SER N N 15 123.353 0.000 . 1 . . . . . 37 SER N . 53511 1 stop_ save_