################################### # 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 15075 _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' . . . 15075 1 2 '2D 1H-1H NOESY' . . . 15075 1 3 '2D 1H-15N HSQC' . . . 15075 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 3.86 0.02 . 1 . . . . 1 GLY HA . 15075 1 2 . 1 1 1 1 GLY HA3 H 1 3.86 0.02 . 1 . . . . 1 GLY HA . 15075 1 3 . 1 1 2 2 SER H H 1 8.76 0.02 . 1 . . . . 2 SER H . 15075 1 4 . 1 1 2 2 SER HA H 1 4.51 0.02 . 1 . . . . 2 SER HA . 15075 1 5 . 1 1 2 2 SER HB2 H 1 3.89 0.02 . 1 . . . . 2 SER HB2 . 15075 1 6 . 1 1 2 2 SER N N 15 115.70 0.5 . 1 . . . . 2 SER N . 15075 1 7 . 1 1 3 3 MET H H 1 8.73 0.02 . 1 . . . . 3 MET H . 15075 1 8 . 1 1 3 3 MET HA H 1 4.52 0.02 . 1 . . . . 3 MET HA . 15075 1 9 . 1 1 3 3 MET HB2 H 1 2.07 0.02 . 2 . . . . 3 MET HB2 . 15075 1 10 . 1 1 3 3 MET HG2 H 1 2.60 0.02 . 2 . . . . 3 MET HG2 . 15075 1 11 . 1 1 3 3 MET HG3 H 1 2.53 0.02 . 2 . . . . 3 MET HG3 . 15075 1 12 . 1 1 3 3 MET HE1 H 1 2.02 0.02 . 1 . . . . 3 MET HE . 15075 1 13 . 1 1 3 3 MET HE2 H 1 2.02 0.02 . 1 . . . . 3 MET HE . 15075 1 14 . 1 1 3 3 MET HE3 H 1 2.02 0.02 . 1 . . . . 3 MET HE . 15075 1 15 . 1 1 3 3 MET N N 15 123.30 0.5 . 1 . . . . 3 MET N . 15075 1 16 . 1 1 4 4 ILE H H 1 8.36 0.02 . 1 . . . . 4 ILE H . 15075 1 17 . 1 1 4 4 ILE HA H 1 4.11 0.02 . 1 . . . . 4 ILE HA . 15075 1 18 . 1 1 4 4 ILE HB H 1 1.82 0.02 . 1 . . . . 4 ILE HB . 15075 1 19 . 1 1 4 4 ILE HG12 H 1 1.48 0.02 . 2 . . . . 4 ILE HG12 . 15075 1 20 . 1 1 4 4 ILE HG13 H 1 1.18 0.02 . 2 . . . . 4 ILE HG13 . 15075 1 21 . 1 1 4 4 ILE HG21 H 1 0.89 0.02 . 1 . . . . 4 ILE HG2 . 15075 1 22 . 1 1 4 4 ILE HG22 H 1 0.89 0.02 . 1 . . . . 4 ILE HG2 . 15075 1 23 . 1 1 4 4 ILE HG23 H 1 0.89 0.02 . 1 . . . . 4 ILE HG2 . 15075 1 24 . 1 1 4 4 ILE N N 15 123.80 0.5 . 1 . . . . 4 ILE N . 15075 1 25 . 1 1 5 5 LYS H H 1 8.58 0.02 . 1 . . . . 5 LYS H . 15075 1 26 . 1 1 5 5 LYS HA H 1 4.29 0.02 . 1 . . . . 5 LYS HA . 15075 1 27 . 1 1 5 5 LYS HB2 H 1 1.75 0.02 . 2 . . . . 5 LYS HB2 . 15075 1 28 . 1 1 5 5 LYS HB3 H 1 1.80 0.02 . 2 . . . . 5 LYS HB3 . 15075 1 29 . 1 1 5 5 LYS HG2 H 1 1.44 0.02 . 2 . . . . 5 LYS HG2 . 15075 1 30 . 1 1 5 5 LYS HG3 H 1 1.37 0.02 . 2 . . . . 5 LYS HG3 . 15075 1 31 . 1 1 5 5 LYS HD2 H 1 1.67 0.02 . 2 . . . . 5 LYS HD2 . 15075 1 32 . 1 1 5 5 LYS HZ1 H 1 7.59 0.02 . 1 . . . . 5 LYS HZ . 15075 1 33 . 1 1 5 5 LYS HZ2 H 1 7.59 0.02 . 1 . . . . 5 LYS HZ . 15075 1 34 . 1 1 5 5 LYS HZ3 H 1 7.59 0.02 . 1 . . . . 5 LYS HZ . 15075 1 35 . 1 1 5 5 LYS N N 15 126.80 0.5 . 1 . . . . 5 LYS N . 15075 1 36 . 1 1 6 6 ASN H H 1 8.64 0.02 . 1 . . . . 6 ASN H . 15075 1 37 . 1 1 6 6 ASN HA H 1 4.67 0.02 . 1 . . . . 6 ASN HA . 15075 1 38 . 1 1 6 6 ASN HB2 H 1 2.84 0.02 . 2 . . . . 6 ASN HB2 . 15075 1 39 . 1 1 6 6 ASN HB3 H 1 2.76 0.02 . 2 . . . . 6 ASN HB3 . 15075 1 40 . 1 1 6 6 ASN HD21 H 1 7.73 0.02 . 2 . . . . 6 ASN HD21 . 15075 1 41 . 1 1 6 6 ASN HD22 H 1 7.00 0.02 . 2 . . . . 6 ASN HD22 . 15075 1 42 . 1 1 6 6 ASN N N 15 120.90 0.5 . 1 . . . . 6 ASN N . 15075 1 43 . 1 1 7 7 GLU H H 1 8.55 0.02 . 1 . . . . 7 GLU H . 15075 1 44 . 1 1 7 7 GLU HA H 1 4.39 0.02 . 1 . . . . 7 GLU HA . 15075 1 45 . 1 1 7 7 GLU HB2 H 1 1.94 0.02 . 2 . . . . 7 GLU HB2 . 15075 1 46 . 1 1 7 7 GLU HG2 H 1 2.43 0.02 . 2 . . . . 7 GLU HG2 . 15075 1 47 . 1 1 7 7 GLU HG3 H 1 2.14 0.02 . 2 . . . . 7 GLU HG3 . 15075 1 48 . 1 1 7 7 GLU N N 15 121.90 0.02 . 1 . . . . 7 GLU N . 15075 1 49 . 1 1 8 8 SER H H 1 8.50 0.02 . 1 . . . . 8 SER H . 15075 1 50 . 1 1 8 8 SER HA H 1 4.39 0.02 . 1 . . . . 8 SER HA . 15075 1 51 . 1 1 8 8 SER HB2 H 1 3.87 0.02 . 1 . . . . 8 SER HB2 . 15075 1 52 . 1 1 8 8 SER HB3 H 1 3.84 0.02 . 1 . . . . 8 SER HB3 . 15075 1 53 . 1 1 8 8 SER N N 15 117.60 0.5 . 1 . . . . 8 SER N . 15075 1 54 . 1 1 9 9 LYS H H 1 8.41 0.02 . 1 . . . . 9 LYS H . 15075 1 55 . 1 1 9 9 LYS HA H 1 4.19 0.02 . 1 . . . . 9 LYS HA . 15075 1 56 . 1 1 9 9 LYS HB2 H 1 1.62 0.02 . 2 . . . . 9 LYS HB2 . 15075 1 57 . 1 1 9 9 LYS HG2 H 1 1.18 0.02 . 2 . . . . 9 LYS HG2 . 15075 1 58 . 1 1 9 9 LYS HZ1 H 1 7.56 0.02 . 1 . . . . 9 LYS HZ . 15075 1 59 . 1 1 9 9 LYS HZ2 H 1 7.56 0.02 . 1 . . . . 9 LYS HZ . 15075 1 60 . 1 1 9 9 LYS HZ3 H 1 7.56 0.02 . 1 . . . . 9 LYS HZ . 15075 1 61 . 1 1 9 9 LYS NZ N 15 132.80 0.5 . 1 . . . . 9 LYS NZ . 15075 1 62 . 1 1 9 9 LYS N N 15 123.30 0.5 . 1 . . . . 9 LYS N . 15075 1 63 . 1 1 10 10 TYR H H 1 8.21 0.02 . 1 . . . . 10 TYR H . 15075 1 64 . 1 1 10 10 TYR HA H 1 4.61 0.02 . 1 . . . . 10 TYR HA . 15075 1 65 . 1 1 10 10 TYR HB2 H 1 3.11 0.02 . 2 . . . . 10 TYR HB2 . 15075 1 66 . 1 1 10 10 TYR HB3 H 1 2.89 0.02 . 2 . . . . 10 TYR HB3 . 15075 1 67 . 1 1 10 10 TYR HD1 H 1 7.09 0.02 . 3 . . . . 10 TYR HD1 . 15075 1 68 . 1 1 10 10 TYR HE1 H 1 6.81 0.02 . 3 . . . . 10 TYR HE1 . 15075 1 69 . 1 1 10 10 TYR N N 15 120.60 0.5 . 1 . . . . 10 TYR N . 15075 1 70 . 1 1 11 11 SER H H 1 8.20 0.02 . 1 . . . . 11 SER H . 15075 1 71 . 1 1 11 11 SER HA H 1 4.40 0.02 . 1 . . . . 11 SER HA . 15075 1 72 . 1 1 11 11 SER HB2 H 1 3.87 0.02 . 1 . . . . 11 SER HB2 . 15075 1 73 . 1 1 11 11 SER HB3 H 1 3.82 0.02 . 1 . . . . 11 SER HB3 . 15075 1 74 . 1 1 11 11 SER N N 15 117.60 0.5 . 1 . . . . 11 SER N . 15075 1 75 . 1 1 12 12 ASN H H 1 8.58 0.02 . 1 . . . . 12 ASN H . 15075 1 76 . 1 1 12 12 ASN HA H 1 4.73 0.02 . 1 . . . . 12 ASN HA . 15075 1 77 . 1 1 12 12 ASN HB2 H 1 2.81 0.02 . 2 . . . . 12 ASN HB2 . 15075 1 78 . 1 1 12 12 ASN HD21 H 1 7.71 0.02 . 2 . . . . 12 ASN HD21 . 15075 1 79 . 1 1 12 12 ASN HD22 H 1 7.02 0.02 . 2 . . . . 12 ASN HD22 . 15075 1 80 . 1 1 12 12 ASN N N 15 121.40 0.5 . 1 . . . . 12 ASN N . 15075 1 81 . 1 1 13 13 THR H H 1 8.14 0.02 . 1 . . . . 13 THR H . 15075 1 82 . 1 1 13 13 THR HA H 1 4.23 0.02 . 1 . . . . 13 THR HA . 15075 1 83 . 1 1 13 13 THR HB H 1 4.15 0.02 . 1 . . . . 13 THR HB . 15075 1 84 . 1 1 13 13 THR HG21 H 1 1.14 0.02 . 1 . . . . 13 THR HG1 . 15075 1 85 . 1 1 13 13 THR HG22 H 1 1.14 0.02 . 1 . . . . 13 THR HG1 . 15075 1 86 . 1 1 13 13 THR HG23 H 1 1.14 0.02 . 1 . . . . 13 THR HG1 . 15075 1 87 . 1 1 13 13 THR N N 15 114.40 0.5 . 1 . . . . 13 THR N . 15075 1 88 . 1 1 14 14 PHE H H 1 8.27 0.02 . 1 . . . . 14 PHE H . 15075 1 89 . 1 1 14 14 PHE HA H 1 4.57 0.02 . 1 . . . . 14 PHE HA . 15075 1 90 . 1 1 14 14 PHE HB2 H 1 3.12 0.02 . 2 . . . . 14 PHE HB2 . 15075 1 91 . 1 1 14 14 PHE HB3 H 1 3.06 0.02 . 2 . . . . 14 PHE HB3 . 15075 1 92 . 1 1 14 14 PHE HD1 H 1 7.20 0.02 . 3 . . . . 14 PHE HD1 . 15075 1 93 . 1 1 14 14 PHE HE1 H 1 7.30 0.02 . 1 . . . . 14 PHE HE1 . 15075 1 94 . 1 1 14 14 PHE N N 15 123.10 0.5 . 1 . . . . 14 PHE N . 15075 1 95 . 1 1 15 15 ILE H H 1 8.10 0.02 . 1 . . . . 15 ILE H . 15075 1 96 . 1 1 15 15 ILE HA H 1 4.03 0.02 . 1 . . . . 15 ILE HA . 15075 1 97 . 1 1 15 15 ILE HB H 1 1.77 0.02 . 1 . . . . 15 ILE HB . 15075 1 98 . 1 1 15 15 ILE HG12 H 1 1.46 0.02 . 2 . . . . 15 ILE HG12 . 15075 1 99 . 1 1 15 15 ILE HG13 H 1 1.14 0.02 . 2 . . . . 15 ILE HG13 . 15075 1 100 . 1 1 15 15 ILE HG21 H 1 0.85 0.02 . 1 . . . . 15 ILE HG2 . 15075 1 101 . 1 1 15 15 ILE HG22 H 1 0.85 0.02 . 1 . . . . 15 ILE HG2 . 15075 1 102 . 1 1 15 15 ILE HG23 H 1 0.85 0.02 . 1 . . . . 15 ILE HG2 . 15075 1 103 . 1 1 15 15 ILE N N 15 123.20 0.5 . 1 . . . . 15 ILE N . 15075 1 104 . 1 1 16 16 ASN H H 1 8.49 0.02 . 1 . . . . 16 ASN H . 15075 1 105 . 1 1 16 16 ASN HA H 1 4.64 0.02 . 1 . . . . 16 ASN HA . 15075 1 106 . 1 1 16 16 ASN HB2 H 1 2.86 0.02 . 2 . . . . 16 ASN HB2 . 15075 1 107 . 1 1 16 16 ASN HB3 H 1 2.74 0.02 . 2 . . . . 16 ASN HB3 . 15075 1 108 . 1 1 16 16 ASN HD21 H 1 7.72 0.02 . 2 . . . . 16 ASN HD21 . 15075 1 109 . 1 1 16 16 ASN HD22 H 1 7.03 0.02 . 2 . . . . 16 ASN HD22 . 15075 1 110 . 1 1 16 16 ASN ND2 N 15 112.80 0.5 . 1 . . . . 16 ASN ND2 . 15075 1 111 . 1 1 16 16 ASN N N 15 122.80 0.5 . 1 . . . . 16 ASN N . 15075 1 112 . 1 1 17 17 ASN H H 1 8.44 0.02 . 1 . . . . 17 ASN H . 15075 1 113 . 1 1 17 17 ASN HA H 1 4.62 0.02 . 1 . . . . 17 ASN HA . 15075 1 114 . 1 1 17 17 ASN HB2 H 1 2.80 0.02 . 2 . . . . 17 ASN HB2 . 15075 1 115 . 1 1 17 17 ASN HD21 H 1 7.70 0.02 . 2 . . . . 17 ASN HD21 . 15075 1 116 . 1 1 17 17 ASN HD22 H 1 6.99 0.02 . 2 . . . . 17 ASN HD22 . 15075 1 117 . 1 1 17 17 ASN ND2 N 15 113.00 0.5 . 1 . . . . 17 ASN ND2 . 15075 1 118 . 1 1 17 17 ASN N N 15 120.38 0.5 . 1 . . . . 17 ASN N . 15075 1 119 . 1 1 18 18 ALA H H 1 8.30 0.02 . 1 . . . . 18 ALA H . 15075 1 120 . 1 1 18 18 ALA HA H 1 4.17 0.02 . 1 . . . . 18 ALA HA . 15075 1 121 . 1 1 18 18 ALA HB1 H 1 1.31 0.02 . 1 . . . . 18 ALA HB . 15075 1 122 . 1 1 18 18 ALA HB2 H 1 1.31 0.02 . 1 . . . . 18 ALA HB . 15075 1 123 . 1 1 18 18 ALA HB3 H 1 1.31 0.02 . 1 . . . . 18 ALA HB . 15075 1 124 . 1 1 18 18 ALA N N 15 123.50 0.5 . 1 . . . . 18 ALA N . 15075 1 125 . 1 1 19 19 TYR H H 1 8.19 0.02 . 1 . . . . 19 TYR H . 15075 1 126 . 1 1 19 19 TYR HA H 1 4.41 0.02 . 1 . . . . 19 TYR HA . 15075 1 127 . 1 1 19 19 TYR HB2 H 1 3.02 0.02 . 2 . . . . 19 TYR HB2 . 15075 1 128 . 1 1 19 19 TYR HD1 H 1 7.10 0.02 . 3 . . . . 19 TYR HD1 . 15075 1 129 . 1 1 19 19 TYR HE1 H 1 6.81 0.02 . 3 . . . . 19 TYR HE1 . 15075 1 130 . 1 1 19 19 TYR N N 15 119.30 0.5 . 1 . . . . 19 TYR N . 15075 1 131 . 1 1 20 20 ASN H H 1 8.31 0.02 . 1 . . . . 20 ASN H . 15075 1 132 . 1 1 20 20 ASN HA H 1 4.54 0.02 . 1 . . . . 20 ASN HA . 15075 1 133 . 1 1 20 20 ASN HB2 H 1 2.80 0.02 . 2 . . . . 20 ASN HB2 . 15075 1 134 . 1 1 20 20 ASN HB3 H 1 2.76 0.02 . 2 . . . . 20 ASN HB3 . 15075 1 135 . 1 1 20 20 ASN HD21 H 1 7.74 0.02 . 2 . . . . 20 ASN HD21 . 15075 1 136 . 1 1 20 20 ASN HD22 H 1 7.00 0.02 . 2 . . . . 20 ASN HD22 . 15075 1 137 . 1 1 20 20 ASN N N 15 120.10 0.5 . 1 . . . . 20 ASN N . 15075 1 138 . 1 1 21 21 MET H H 1 8.32 0.02 . 1 . . . . 21 MET H . 15075 1 139 . 1 1 21 21 MET HA H 1 4.41 0.02 . 1 . . . . 21 MET HA . 15075 1 140 . 1 1 21 21 MET HB2 H 1 2.13 0.02 . 2 . . . . 21 MET HB2 . 15075 1 141 . 1 1 21 21 MET HG2 H 1 2.63 0.02 . 2 . . . . 21 MET HG2 . 15075 1 142 . 1 1 21 21 MET HG3 H 1 2.55 0.02 . 2 . . . . 21 MET HG3 . 15075 1 143 . 1 1 21 21 MET HE1 H 1 2.04 0.02 . 1 . . . . 21 MET HE . 15075 1 144 . 1 1 21 21 MET HE2 H 1 2.04 0.02 . 1 . . . . 21 MET HE . 15075 1 145 . 1 1 21 21 MET HE3 H 1 2.04 0.02 . 1 . . . . 21 MET HE . 15075 1 146 . 1 1 21 21 MET N N 15 120.30 0.5 . 1 . . . . 21 MET N . 15075 1 147 . 1 1 22 22 SER H H 1 8.25 0.02 . 1 . . . . 22 SER H . 15075 1 148 . 1 1 22 22 SER HA H 1 4.38 0.02 . 1 . . . . 22 SER HA . 15075 1 149 . 1 1 22 22 SER HB2 H 1 3.90 0.02 . 1 . . . . 22 SER HB2 . 15075 1 150 . 1 1 22 22 SER N N 15 116.60 0.5 . 1 . . . . 22 SER N . 15075 1 151 . 1 1 23 23 ILE H H 1 7.89 0.02 . 1 . . . . 23 ILE H . 15075 1 152 . 1 1 23 23 ILE HA H 1 4.14 0.02 . 1 . . . . 23 ILE HA . 15075 1 153 . 1 1 23 23 ILE HB H 1 1.87 0.02 . 1 . . . . 23 ILE HB . 15075 1 154 . 1 1 23 23 ILE HG12 H 1 1.40 0.02 . 2 . . . . 23 ILE HG12 . 15075 1 155 . 1 1 23 23 ILE HG13 H 1 1.14 0.02 . 2 . . . . 23 ILE HG13 . 15075 1 156 . 1 1 23 23 ILE HG21 H 1 0.85 0.02 . 1 . . . . 23 ILE HG2 . 15075 1 157 . 1 1 23 23 ILE HG22 H 1 0.85 0.02 . 1 . . . . 23 ILE HG2 . 15075 1 158 . 1 1 23 23 ILE HG23 H 1 0.85 0.02 . 1 . . . . 23 ILE HG2 . 15075 1 159 . 1 1 23 23 ILE N N 15 121.80 0.5 . 1 . . . . 23 ILE N . 15075 1 160 . 1 1 24 24 ARG H H 1 8.30 0.02 . 1 . . . . 24 ARG H . 15075 1 161 . 1 1 24 24 ARG HA H 1 4.29 0.02 . 1 . . . . 24 ARG HA . 15075 1 162 . 1 1 24 24 ARG HB2 H 1 1.85 0.02 . 2 . . . . 24 ARG HB2 . 15075 1 163 . 1 1 24 24 ARG HB3 H 1 1.78 0.02 . 2 . . . . 24 ARG HB3 . 15075 1 164 . 1 1 24 24 ARG HG2 H 1 1.67 0.02 . 2 . . . . 24 ARG HG2 . 15075 1 165 . 1 1 24 24 ARG HG3 H 1 1.59 0.02 . 2 . . . . 24 ARG HG3 . 15075 1 166 . 1 1 24 24 ARG HD2 H 1 3.02 0.02 . 2 . . . . 24 ARG HD2 . 15075 1 167 . 1 1 24 24 ARG HE H 1 7.22 0.02 . 1 . . . . 24 ARG HE . 15075 1 168 . 1 1 24 24 ARG N N 15 125.00 0.5 . 1 . . . . 24 ARG N . 15075 1 169 . 1 1 25 25 ARG H H 1 8.45 0.02 . 1 . . . . 25 ARG H . 15075 1 170 . 1 1 25 25 ARG HA H 1 4.34 0.02 . 1 . . . . 25 ARG HA . 15075 1 171 . 1 1 25 25 ARG HB2 H 1 1.85 0.02 . 2 . . . . 25 ARG HB2 . 15075 1 172 . 1 1 25 25 ARG HB3 H 1 1.77 0.02 . 2 . . . . 25 ARG HB3 . 15075 1 173 . 1 1 25 25 ARG HG2 H 1 1.65 0.02 . 2 . . . . 25 ARG HG2 . 15075 1 174 . 1 1 25 25 ARG HG3 H 1 1.64 0.02 . 2 . . . . 25 ARG HG3 . 15075 1 175 . 1 1 25 25 ARG HD2 H 1 3.18 0.02 . 2 . . . . 25 ARG HD2 . 15075 1 176 . 1 1 25 25 ARG HE H 1 7.22 0.02 . 1 . . . . 25 ARG HE . 15075 1 177 . 1 1 25 25 ARG N N 15 123.10 0.5 . 1 . . . . 25 ARG N . 15075 1 178 . 1 1 26 26 SER H H 1 8.44 0.02 . 1 . . . . 26 SER H . 15075 1 179 . 1 1 26 26 SER HA H 1 4.43 0.02 . 1 . . . . 26 SER HA . 15075 1 180 . 1 1 26 26 SER HB2 H 1 3.88 0.02 . 1 . . . . 26 SER HB2 . 15075 1 181 . 1 1 26 26 SER N N 15 117.30 0.5 . 1 . . . . 26 SER N . 15075 1 182 . 1 1 27 27 MET H H 1 8.46 0.02 . 1 . . . . 27 MET H . 15075 1 183 . 1 1 27 27 MET HA H 1 4.53 0.02 . 1 . . . . 27 MET HA . 15075 1 184 . 1 1 27 27 MET HB2 H 1 2.15 0.02 . 2 . . . . 27 MET HB2 . 15075 1 185 . 1 1 27 27 MET HG2 H 1 2.64 0.02 . 2 . . . . 27 MET HG2 . 15075 1 186 . 1 1 27 27 MET HG3 H 1 2.55 0.02 . 2 . . . . 27 MET HG3 . 15075 1 187 . 1 1 27 27 MET HE1 H 1 1.99 0.02 . 1 . . . . 27 MET HE . 15075 1 188 . 1 1 27 27 MET HE2 H 1 1.99 0.02 . 1 . . . . 27 MET HE . 15075 1 189 . 1 1 27 27 MET HE3 H 1 1.99 0.02 . 1 . . . . 27 MET HE . 15075 1 190 . 1 1 27 27 MET N N 15 122.90 0.5 . 1 . . . . 27 MET N . 15075 1 191 . 1 1 28 28 ALA H H 1 8.18 0.02 . 1 . . . . 28 ALA H . 15075 1 192 . 1 1 28 28 ALA HA H 1 4.19 0.02 . 1 . . . . 28 ALA HA . 15075 1 193 . 1 1 28 28 ALA HB1 H 1 1.37 0.02 . 1 . . . . 28 ALA HB . 15075 1 194 . 1 1 28 28 ALA HB2 H 1 1.37 0.02 . 1 . . . . 28 ALA HB . 15075 1 195 . 1 1 28 28 ALA HB3 H 1 1.37 0.02 . 1 . . . . 28 ALA HB . 15075 1 196 . 1 1 28 28 ALA N N 15 129.10 0.5 . 1 . . . . 28 ALA N . 15075 1 stop_ save_