################################### # 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 34278 _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 $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 '1D proton' . . . 34278 1 2 '2D NOESY' . . . 34278 1 3 '2D DQF-COSY' . . . 34278 1 4 '2D TOCSY' . . . 34278 1 5 '2D 1H-13C HSQC' . . . 34278 1 6 '2D 1H-15N HSQC' . . . 34278 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.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 ARG HA H 1 4.028 0.03 . 1 . . . . A 1 ARG HA . 34278 1 2 . 1 1 1 1 ARG HB2 H 1 1.886 0.03 . 1 . . . . A 1 ARG HB2 . 34278 1 3 . 1 1 1 1 ARG HB3 H 1 1.886 0.03 . 1 . . . . A 1 ARG HB3 . 34278 1 4 . 1 1 1 1 ARG HG2 H 1 1.638 0.03 . 1 . . . . A 1 ARG HG2 . 34278 1 5 . 1 1 1 1 ARG HG3 H 1 1.582 0.03 . 1 . . . . A 1 ARG HG3 . 34278 1 6 . 1 1 1 1 ARG HD2 H 1 3.138 0.03 . 1 . . . . A 1 ARG HD2 . 34278 1 7 . 1 1 1 1 ARG HD3 H 1 3.138 0.03 . 1 . . . . A 1 ARG HD3 . 34278 1 8 . 1 1 1 1 ARG HE H 1 7.396 0.03 . 1 . . . . A 1 ARG HE . 34278 1 9 . 1 1 1 1 ARG CA C 13 55.109 0.30 . 1 . . . . A 1 ARG CA . 34278 1 10 . 1 1 1 1 ARG CB C 13 30.602 0.30 . 1 . . . . A 1 ARG CB . 34278 1 11 . 1 1 1 1 ARG CG C 13 26.101 0.30 . 1 . . . . A 1 ARG CG . 34278 1 12 . 1 1 1 1 ARG CD C 13 42.983 0.30 . 1 . . . . A 1 ARG CD . 34278 1 13 . 1 1 1 1 ARG NE N 15 83.902 0.30 . 1 . . . . A 1 ARG NE . 34278 1 14 . 1 1 2 2 ASN H H 1 9.007 0.03 . 1 . . . . A 2 ASN H . 34278 1 15 . 1 1 2 2 ASN HA H 1 4.696 0.03 . 1 . . . . A 2 ASN HA . 34278 1 16 . 1 1 2 2 ASN HB2 H 1 2.759 0.03 . 1 . . . . A 2 ASN HB2 . 34278 1 17 . 1 1 2 2 ASN HB3 H 1 2.791 0.03 . 1 . . . . A 2 ASN HB3 . 34278 1 18 . 1 1 2 2 ASN HD21 H 1 6.908 0.03 . 1 . . . . A 2 ASN HD21 . 34278 1 19 . 1 1 2 2 ASN HD22 H 1 7.784 0.03 . 1 . . . . A 2 ASN HD22 . 34278 1 20 . 1 1 2 2 ASN CB C 13 38.929 0.30 . 1 . . . . A 2 ASN CB . 34278 1 21 . 1 1 2 2 ASN N N 15 122.562 0.30 . 1 . . . . A 2 ASN N . 34278 1 22 . 1 1 2 2 ASN ND2 N 15 113.126 0.30 . 1 . . . . A 2 ASN ND2 . 34278 1 23 . 1 1 3 3 LYS H H 1 8.631 0.03 . 1 . . . . A 3 LYS H . 34278 1 24 . 1 1 3 3 LYS HA H 1 4.207 0.03 . 1 . . . . A 3 LYS HA . 34278 1 25 . 1 1 3 3 LYS HB2 H 1 1.8 0.03 . 1 . . . . A 3 LYS HB2 . 34278 1 26 . 1 1 3 3 LYS HB3 H 1 1.743 0.03 . 1 . . . . A 3 LYS HB3 . 34278 1 27 . 1 1 3 3 LYS HG2 H 1 1.446 0.03 . 1 . . . . A 3 LYS HG2 . 34278 1 28 . 1 1 3 3 LYS HG3 H 1 1.407 0.03 . 1 . . . . A 3 LYS HG3 . 34278 1 29 . 1 1 3 3 LYS HD2 H 1 1.647 0.03 . 1 . . . . A 3 LYS HD2 . 34278 1 30 . 1 1 3 3 LYS HD3 H 1 1.647 0.03 . 1 . . . . A 3 LYS HD3 . 34278 1 31 . 1 1 3 3 LYS HE2 H 1 2.948 0.03 . 1 . . . . A 3 LYS HE2 . 34278 1 32 . 1 1 3 3 LYS HE3 H 1 2.948 0.03 . 1 . . . . A 3 LYS HE3 . 34278 1 33 . 1 1 3 3 LYS HZ1 H 1 7.628 0.03 . 1 . . . . A 3 LYS HZ1 . 34278 1 34 . 1 1 3 3 LYS HZ2 H 1 7.628 0.03 . 1 . . . . A 3 LYS HZ2 . 34278 1 35 . 1 1 3 3 LYS HZ3 H 1 7.628 0.03 . 1 . . . . A 3 LYS HZ3 . 34278 1 36 . 1 1 3 3 LYS CB C 13 32.607 0.30 . 1 . . . . A 3 LYS CB . 34278 1 37 . 1 1 3 3 LYS CG C 13 24.706 0.30 . 1 . . . . A 3 LYS CG . 34278 1 38 . 1 1 3 3 LYS CD C 13 28.995 0.30 . 1 . . . . A 3 LYS CD . 34278 1 39 . 1 1 3 3 LYS CE C 13 41.814 0.30 . 1 . . . . A 3 LYS CE . 34278 1 40 . 1 1 3 3 LYS N N 15 122.264 0.30 . 1 . . . . A 3 LYS N . 34278 1 41 . 1 1 4 4 LEU H H 1 8.428 0.03 . 1 . . . . A 4 LEU H . 34278 1 42 . 1 1 4 4 LEU HA H 1 4.243 0.03 . 1 . . . . A 4 LEU HA . 34278 1 43 . 1 1 4 4 LEU HB2 H 1 1.67 0.03 . 1 . . . . A 4 LEU HB2 . 34278 1 44 . 1 1 4 4 LEU HB3 H 1 1.573 0.03 . 1 . . . . A 4 LEU HB3 . 34278 1 45 . 1 1 4 4 LEU HG H 1 1.65 0.03 . 1 . . . . A 4 LEU HG . 34278 1 46 . 1 1 4 4 LEU HD11 H 1 0.858 0.03 . 2 . . . . A 4 LEU HD11 . 34278 1 47 . 1 1 4 4 LEU HD12 H 1 0.858 0.03 . 2 . . . . A 4 LEU HD12 . 34278 1 48 . 1 1 4 4 LEU HD13 H 1 0.858 0.03 . 2 . . . . A 4 LEU HD13 . 34278 1 49 . 1 1 4 4 LEU HD21 H 1 0.907 0.03 . 2 . . . . A 4 LEU HD21 . 34278 1 50 . 1 1 4 4 LEU HD22 H 1 0.907 0.03 . 2 . . . . A 4 LEU HD22 . 34278 1 51 . 1 1 4 4 LEU HD23 H 1 0.907 0.03 . 2 . . . . A 4 LEU HD23 . 34278 1 52 . 1 1 4 4 LEU CB C 13 41.896 0.30 . 1 . . . . A 4 LEU CB . 34278 1 53 . 1 1 4 4 LEU CG C 13 27.063 0.30 . 1 . . . . A 4 LEU CG . 34278 1 54 . 1 1 4 4 LEU CD1 C 13 23.877 0.30 . 2 . . . . A 4 LEU CD1 . 34278 1 55 . 1 1 4 4 LEU CD2 C 13 25.047 0.30 . 2 . . . . A 4 LEU CD2 . 34278 1 56 . 1 1 4 4 LEU N N 15 122.015 0.30 . 1 . . . . A 4 LEU N . 34278 1 57 . 1 1 5 5 ALA H H 1 8.24 0.03 . 1 . . . . A 5 ALA H . 34278 1 58 . 1 1 5 5 ALA HA H 1 4.156 0.03 . 1 . . . . A 5 ALA HA . 34278 1 59 . 1 1 5 5 ALA HB1 H 1 1.25 0.03 . 1 . . . . A 5 ALA HB1 . 34278 1 60 . 1 1 5 5 ALA HB2 H 1 1.25 0.03 . 1 . . . . A 5 ALA HB2 . 34278 1 61 . 1 1 5 5 ALA HB3 H 1 1.25 0.03 . 1 . . . . A 5 ALA HB3 . 34278 1 62 . 1 1 5 5 ALA CA C 13 52.768 0.30 . 1 . . . . A 5 ALA CA . 34278 1 63 . 1 1 5 5 ALA CB C 13 18.999 0.30 . 1 . . . . A 5 ALA CB . 34278 1 64 . 1 1 5 5 ALA N N 15 122.993 0.30 . 1 . . . . A 5 ALA N . 34278 1 65 . 1 1 6 6 TYR H H 1 7.813 0.03 . 1 . . . . A 6 TYR H . 34278 1 66 . 1 1 6 6 TYR HA H 1 4.397 0.03 . 1 . . . . A 6 TYR HA . 34278 1 67 . 1 1 6 6 TYR HB2 H 1 2.817 0.03 . 1 . . . . A 6 TYR HB2 . 34278 1 68 . 1 1 6 6 TYR HB3 H 1 2.964 0.03 . 1 . . . . A 6 TYR HB3 . 34278 1 69 . 1 1 6 6 TYR HD1 H 1 7.003 0.03 . 1 . . . . A 6 TYR HD1 . 34278 1 70 . 1 1 6 6 TYR HD2 H 1 7.003 0.03 . 1 . . . . A 6 TYR HD2 . 34278 1 71 . 1 1 6 6 TYR HE1 H 1 6.743 0.03 . 3 . . . . A 6 TYR HE1 . 34278 1 72 . 1 1 6 6 TYR HE2 H 1 6.743 0.03 . 3 . . . . A 6 TYR HE2 . 34278 1 73 . 1 1 6 6 TYR CB C 13 38.892 0.30 . 1 . . . . A 6 TYR CB . 34278 1 74 . 1 1 6 6 TYR CD1 C 13 132.765 0.30 . 1 . . . . A 6 TYR CD1 . 34278 1 75 . 1 1 6 6 TYR CE1 C 13 117.932 0.30 . 1 . . . . A 6 TYR CE1 . 34278 1 76 . 1 1 6 6 TYR N N 15 117.43 0.30 . 1 . . . . A 6 TYR N . 34278 1 77 . 1 1 7 7 ASN H H 1 8.401 0.03 . 1 . . . . A 7 ASN H . 34278 1 78 . 1 1 7 7 ASN HA H 1 4.633 0.03 . 1 . . . . A 7 ASN HA . 34278 1 79 . 1 1 7 7 ASN HB2 H 1 2.813 0.03 . 1 . . . . A 7 ASN HB2 . 34278 1 80 . 1 1 7 7 ASN HB3 H 1 2.752 0.03 . 1 . . . . A 7 ASN HB3 . 34278 1 81 . 1 1 7 7 ASN HD21 H 1 6.955 0.03 . 1 . . . . A 7 ASN HD21 . 34278 1 82 . 1 1 7 7 ASN HD22 H 1 7.67 0.03 . 1 . . . . A 7 ASN HD22 . 34278 1 83 . 1 1 7 7 ASN CB C 13 38.892 0.30 . 1 . . . . A 7 ASN CB . 34278 1 84 . 1 1 7 7 ASN N N 15 118.755 0.30 . 1 . . . . A 7 ASN N . 34278 1 85 . 1 1 7 7 ASN ND2 N 15 112.662 0.30 . 1 . . . . A 7 ASN ND2 . 34278 1 86 . 1 1 8 8 MET H H 1 8.543 0.03 . 1 . . . . A 8 MET H . 34278 1 87 . 1 1 8 8 MET HA H 1 4.37 0.03 . 1 . . . . A 8 MET HA . 34278 1 88 . 1 1 8 8 MET HB2 H 1 2.082 0.03 . 1 . . . . A 8 MET HB2 . 34278 1 89 . 1 1 8 8 MET HB3 H 1 2.082 0.03 . 1 . . . . A 8 MET HB3 . 34278 1 90 . 1 1 8 8 MET HG2 H 1 2.526 0.03 . 1 . . . . A 8 MET HG2 . 34278 1 91 . 1 1 8 8 MET HG3 H 1 2.647 0.03 . 1 . . . . A 8 MET HG3 . 34278 1 92 . 1 1 8 8 MET HE1 H 1 2.012 0.03 . 1 . . . . A 8 MET HE1 . 34278 1 93 . 1 1 8 8 MET HE2 H 1 2.012 0.03 . 1 . . . . A 8 MET HE2 . 34278 1 94 . 1 1 8 8 MET HE3 H 1 2.012 0.03 . 1 . . . . A 8 MET HE3 . 34278 1 95 . 1 1 8 8 MET CB C 13 32.751 0.30 . 1 . . . . A 8 MET CB . 34278 1 96 . 1 1 8 8 MET CG C 13 32.535 0.30 . 1 . . . . A 8 MET CG . 34278 1 97 . 1 1 8 8 MET CE C 13 17.205 0.30 . 1 . . . . A 8 MET CE . 34278 1 98 . 1 1 8 8 MET N N 15 119.682 0.30 . 1 . . . . A 8 MET N . 34278 1 99 . 1 1 9 9 GLY H H 1 8.536 0.03 . 1 . . . . A 9 GLY H . 34278 1 100 . 1 1 9 9 GLY HA2 H 1 3.914 0.03 . 1 . . . . A 9 GLY HA2 . 34278 1 101 . 1 1 9 9 GLY HA3 H 1 3.788 0.03 . 1 . . . . A 9 GLY HA3 . 34278 1 102 . 1 1 9 9 GLY N N 15 106.901 0.30 . 1 . . . . A 9 GLY N . 34278 1 103 . 1 1 10 10 HIS H H 1 8.288 0.03 . 1 . . . . A 10 HIS H . 34278 1 104 . 1 1 10 10 HIS HA H 1 4.436 0.03 . 1 . . . . A 10 HIS HA . 34278 1 105 . 1 1 10 10 HIS HB2 H 1 3.038 0.03 . 1 . . . . A 10 HIS HB2 . 34278 1 106 . 1 1 10 10 HIS HB3 H 1 3.038 0.03 . 1 . . . . A 10 HIS HB3 . 34278 1 107 . 1 1 10 10 HIS HD2 H 1 6.613 0.03 . 1 . . . . A 10 HIS HD2 . 34278 1 108 . 1 1 10 10 HIS HE1 H 1 8.442 0.03 . 1 . . . . A 10 HIS HE1 . 34278 1 109 . 1 1 10 10 HIS CB C 13 27.972 0.30 . 1 . . . . A 10 HIS CB . 34278 1 110 . 1 1 10 10 HIS CD2 C 13 119.479 0.30 . 1 . . . . A 10 HIS CD2 . 34278 1 111 . 1 1 10 10 HIS CE1 C 13 136.224 0.30 . 1 . . . . A 10 HIS CE1 . 34278 1 112 . 1 1 10 10 HIS N N 15 118.622 0.30 . 1 . . . . A 10 HIS N . 34278 1 113 . 1 1 11 11 TYR H H 1 7.97 0.03 . 1 . . . . A 11 TYR H . 34278 1 114 . 1 1 11 11 TYR HA H 1 4.319 0.03 . 1 . . . . A 11 TYR HA . 34278 1 115 . 1 1 11 11 TYR HB2 H 1 2.898 0.03 . 1 . . . . A 11 TYR HB2 . 34278 1 116 . 1 1 11 11 TYR HB3 H 1 3.091 0.03 . 1 . . . . A 11 TYR HB3 . 34278 1 117 . 1 1 11 11 TYR HD1 H 1 7.092 0.03 . 1 . . . . A 11 TYR HD1 . 34278 1 118 . 1 1 11 11 TYR HD2 H 1 7.092 0.03 . 1 . . . . A 11 TYR HD2 . 34278 1 119 . 1 1 11 11 TYR HE1 H 1 6.859 0.03 . 3 . . . . A 11 TYR HE1 . 34278 1 120 . 1 1 11 11 TYR HE2 H 1 6.859 0.03 . 3 . . . . A 11 TYR HE2 . 34278 1 121 . 1 1 11 11 TYR CB C 13 38.637 0.30 . 1 . . . . A 11 TYR CB . 34278 1 122 . 1 1 11 11 TYR CD1 C 13 132.583 0.30 . 1 . . . . A 11 TYR CD1 . 34278 1 123 . 1 1 11 11 TYR CE1 C 13 118.25 0.30 . 1 . . . . A 11 TYR CE1 . 34278 1 124 . 1 1 11 11 TYR N N 15 118.059 0.30 . 1 . . . . A 11 TYR N . 34278 1 125 . 1 1 12 12 ALA H H 1 8.005 0.03 . 1 . . . . A 12 ALA H . 34278 1 126 . 1 1 12 12 ALA HA H 1 4.132 0.03 . 1 . . . . A 12 ALA HA . 34278 1 127 . 1 1 12 12 ALA HB1 H 1 1.415 0.03 . 1 . . . . A 12 ALA HB1 . 34278 1 128 . 1 1 12 12 ALA HB2 H 1 1.415 0.03 . 1 . . . . A 12 ALA HB2 . 34278 1 129 . 1 1 12 12 ALA HB3 H 1 1.415 0.03 . 1 . . . . A 12 ALA HB3 . 34278 1 130 . 1 1 12 12 ALA CA C 13 56.095 0.30 . 1 . . . . A 12 ALA CA . 34278 1 131 . 1 1 12 12 ALA CB C 13 18.711 0.30 . 1 . . . . A 12 ALA CB . 34278 1 132 . 1 1 12 12 ALA N N 15 121.668 0.30 . 1 . . . . A 12 ALA N . 34278 1 133 . 1 1 13 13 GLY H H 1 8.182 0.03 . 1 . . . . A 13 GLY H . 34278 1 134 . 1 1 13 13 GLY HA2 H 1 3.933 0.03 . 1 . . . . A 13 GLY HA2 . 34278 1 135 . 1 1 13 13 GLY HA3 H 1 3.933 0.03 . 1 . . . . A 13 GLY HA3 . 34278 1 136 . 1 1 14 14 LYS H H 1 8.182 0.03 . 1 . . . . A 14 LYS H . 34278 1 137 . 1 1 14 14 LYS HA H 1 4.043 0.03 . 1 . . . . A 14 LYS HA . 34278 1 138 . 1 1 14 14 LYS HB2 H 1 1.835 0.03 . 1 . . . . A 14 LYS HB2 . 34278 1 139 . 1 1 14 14 LYS HB3 H 1 1.875 0.03 . 1 . . . . A 14 LYS HB3 . 34278 1 140 . 1 1 14 14 LYS HG2 H 1 1.474 0.03 . 1 . . . . A 14 LYS HG2 . 34278 1 141 . 1 1 14 14 LYS HG3 H 1 1.385 0.03 . 1 . . . . A 14 LYS HG3 . 34278 1 142 . 1 1 14 14 LYS HD2 H 1 1.669 0.03 . 1 . . . . A 14 LYS HD2 . 34278 1 143 . 1 1 14 14 LYS HD3 H 1 1.669 0.03 . 1 . . . . A 14 LYS HD3 . 34278 1 144 . 1 1 14 14 LYS HE2 H 1 2.906 0.03 . 1 . . . . A 14 LYS HE2 . 34278 1 145 . 1 1 14 14 LYS HE3 H 1 2.906 0.03 . 1 . . . . A 14 LYS HE3 . 34278 1 146 . 1 1 14 14 LYS HZ1 H 1 7.832 0.03 . 1 . . . . A 14 LYS HZ1 . 34278 1 147 . 1 1 14 14 LYS HZ2 H 1 7.832 0.03 . 1 . . . . A 14 LYS HZ2 . 34278 1 148 . 1 1 14 14 LYS HZ3 H 1 7.832 0.03 . 1 . . . . A 14 LYS HZ3 . 34278 1 149 . 1 1 14 14 LYS CA C 13 58.25 0.30 . 1 . . . . A 14 LYS CA . 34278 1 150 . 1 1 14 14 LYS CB C 13 32.793 0.30 . 1 . . . . A 14 LYS CB . 34278 1 151 . 1 1 14 14 LYS CG C 13 25.022 0.30 . 1 . . . . A 14 LYS CG . 34278 1 152 . 1 1 14 14 LYS CD C 13 28.848 0.30 . 1 . . . . A 14 LYS CD . 34278 1 153 . 1 1 14 14 LYS CE C 13 41.814 0.30 . 1 . . . . A 14 LYS CE . 34278 1 154 . 1 1 14 14 LYS N N 15 120.911 0.30 . 1 . . . . A 14 LYS N . 34278 1 155 . 1 1 15 15 ALA H H 1 8.443 0.03 . 1 . . . . A 15 ALA H . 34278 1 156 . 1 1 15 15 ALA HA H 1 4.111 0.03 . 1 . . . . A 15 ALA HA . 34278 1 157 . 1 1 15 15 ALA HB1 H 1 1.462 0.03 . 1 . . . . A 15 ALA HB1 . 34278 1 158 . 1 1 15 15 ALA HB2 H 1 1.462 0.03 . 1 . . . . A 15 ALA HB2 . 34278 1 159 . 1 1 15 15 ALA HB3 H 1 1.462 0.03 . 1 . . . . A 15 ALA HB3 . 34278 1 160 . 1 1 15 15 ALA CA C 13 54.853 0.30 . 1 . . . . A 15 ALA CA . 34278 1 161 . 1 1 15 15 ALA CB C 13 18.206 0.30 . 1 . . . . A 15 ALA CB . 34278 1 162 . 1 1 15 15 ALA N N 15 120.418 0.30 . 1 . . . . A 15 ALA N . 34278 1 163 . 1 1 16 16 THR H H 1 7.923 0.03 . 1 . . . . A 16 THR H . 34278 1 164 . 1 1 16 16 THR HA H 1 3.964 0.03 . 1 . . . . A 16 THR HA . 34278 1 165 . 1 1 16 16 THR HB H 1 4.277 0.03 . 1 . . . . A 16 THR HB . 34278 1 166 . 1 1 16 16 THR HG21 H 1 1.215 0.03 . 1 . . . . A 16 THR HG21 . 34278 1 167 . 1 1 16 16 THR HG22 H 1 1.215 0.03 . 1 . . . . A 16 THR HG22 . 34278 1 168 . 1 1 16 16 THR HG23 H 1 1.215 0.03 . 1 . . . . A 16 THR HG23 . 34278 1 169 . 1 1 16 16 THR CG2 C 13 21.807 0.30 . 1 . . . . A 16 THR CG2 . 34278 1 170 . 1 1 16 16 THR N N 15 112.927 0.30 . 1 . . . . A 16 THR N . 34278 1 171 . 1 1 17 17 ILE H H 1 7.728 0.03 . 1 . . . . A 17 ILE H . 34278 1 172 . 1 1 17 17 ILE HA H 1 3.746 0.03 . 1 . . . . A 17 ILE HA . 34278 1 173 . 1 1 17 17 ILE HB H 1 1.877 0.03 . 1 . . . . A 17 ILE HB . 34278 1 174 . 1 1 17 17 ILE HG12 H 1 1.568 0.03 . 1 . . . . A 17 ILE HG12 . 34278 1 175 . 1 1 17 17 ILE HG13 H 1 1.209 0.03 . 1 . . . . A 17 ILE HG13 . 34278 1 176 . 1 1 17 17 ILE HG21 H 1 0.827 0.03 . 1 . . . . A 17 ILE HG21 . 34278 1 177 . 1 1 17 17 ILE HG22 H 1 0.827 0.03 . 1 . . . . A 17 ILE HG22 . 34278 1 178 . 1 1 17 17 ILE HG23 H 1 0.827 0.03 . 1 . . . . A 17 ILE HG23 . 34278 1 179 . 1 1 17 17 ILE HD11 H 1 0.809 0.03 . 1 . . . . A 17 ILE HD11 . 34278 1 180 . 1 1 17 17 ILE HD12 H 1 0.809 0.03 . 1 . . . . A 17 ILE HD12 . 34278 1 181 . 1 1 17 17 ILE HD13 H 1 0.809 0.03 . 1 . . . . A 17 ILE HD13 . 34278 1 182 . 1 1 17 17 ILE CB C 13 37.575 0.30 . 1 . . . . A 17 ILE CB . 34278 1 183 . 1 1 17 17 ILE CG1 C 13 27.207 0.30 . 1 . . . . A 17 ILE CG1 . 34278 1 184 . 1 1 17 17 ILE CG2 C 13 17.27 0.30 . 1 . . . . A 17 ILE CG2 . 34278 1 185 . 1 1 17 17 ILE CD1 C 13 12.807 0.30 . 1 . . . . A 17 ILE CD1 . 34278 1 186 . 1 1 17 17 ILE N N 15 120.536 0.30 . 1 . . . . A 17 ILE N . 34278 1 187 . 1 1 18 18 PHE H H 1 8.179 0.03 . 1 . . . . A 18 PHE H . 34278 1 188 . 1 1 18 18 PHE HA H 1 4.29 0.03 . 1 . . . . A 18 PHE HA . 34278 1 189 . 1 1 18 18 PHE HB2 H 1 3.146 0.03 . 1 . . . . A 18 PHE HB2 . 34278 1 190 . 1 1 18 18 PHE HB3 H 1 3.146 0.03 . 1 . . . . A 18 PHE HB3 . 34278 1 191 . 1 1 18 18 PHE HD1 H 1 7.189 0.03 . 1 . . . . A 18 PHE HD1 . 34278 1 192 . 1 1 18 18 PHE HD2 H 1 7.189 0.03 . 1 . . . . A 18 PHE HD2 . 34278 1 193 . 1 1 18 18 PHE HE1 H 1 7.213 0.03 . 1 . . . . A 18 PHE HE1 . 34278 1 194 . 1 1 18 18 PHE HE2 H 1 7.213 0.03 . 1 . . . . A 18 PHE HE2 . 34278 1 195 . 1 1 18 18 PHE HZ H 1 7.187 0.03 . 1 . . . . A 18 PHE HZ . 34278 1 196 . 1 1 18 18 PHE CB C 13 38.564 0.30 . 1 . . . . A 18 PHE CB . 34278 1 197 . 1 1 18 18 PHE CD1 C 13 131.082 0.30 . 1 . . . . A 18 PHE CD1 . 34278 1 198 . 1 1 18 18 PHE CE1 C 13 130.718 0.30 . 1 . . . . A 18 PHE CE1 . 34278 1 199 . 1 1 18 18 PHE CZ C 13 129.171 0.30 . 1 . . . . A 18 PHE CZ . 34278 1 200 . 1 1 18 18 PHE N N 15 119.128 0.30 . 1 . . . . A 18 PHE N . 34278 1 201 . 1 1 19 19 GLY H H 1 8.598 0.03 . 1 . . . . A 19 GLY H . 34278 1 202 . 1 1 19 19 GLY HA2 H 1 3.796 0.03 . 1 . . . . A 19 GLY HA2 . 34278 1 203 . 1 1 19 19 GLY HA3 H 1 3.755 0.03 . 1 . . . . A 19 GLY HA3 . 34278 1 204 . 1 1 19 19 GLY N N 15 106.9 0.30 . 1 . . . . A 19 GLY N . 34278 1 205 . 1 1 20 20 LEU H H 1 8.297 0.03 . 1 . . . . A 20 LEU H . 34278 1 206 . 1 1 20 20 LEU HA H 1 4.204 0.03 . 1 . . . . A 20 LEU HA . 34278 1 207 . 1 1 20 20 LEU HB2 H 1 1.9 0.03 . 1 . . . . A 20 LEU HB2 . 34278 1 208 . 1 1 20 20 LEU HB3 H 1 1.563 0.03 . 1 . . . . A 20 LEU HB3 . 34278 1 209 . 1 1 20 20 LEU HG H 1 1.853 0.03 . 1 . . . . A 20 LEU HG . 34278 1 210 . 1 1 20 20 LEU HD11 H 1 0.874 0.03 . 2 . . . . A 20 LEU HD11 . 34278 1 211 . 1 1 20 20 LEU HD12 H 1 0.874 0.03 . 2 . . . . A 20 LEU HD12 . 34278 1 212 . 1 1 20 20 LEU HD13 H 1 0.874 0.03 . 2 . . . . A 20 LEU HD13 . 34278 1 213 . 1 1 20 20 LEU HD21 H 1 0.832 0.03 . 2 . . . . A 20 LEU HD21 . 34278 1 214 . 1 1 20 20 LEU HD22 H 1 0.832 0.03 . 2 . . . . A 20 LEU HD22 . 34278 1 215 . 1 1 20 20 LEU HD23 H 1 0.832 0.03 . 2 . . . . A 20 LEU HD23 . 34278 1 216 . 1 1 20 20 LEU CB C 13 41.586 0.30 . 1 . . . . A 20 LEU CB . 34278 1 217 . 1 1 20 20 LEU CG C 13 26.876 0.30 . 1 . . . . A 20 LEU CG . 34278 1 218 . 1 1 20 20 LEU N N 15 121.166 0.30 . 1 . . . . A 20 LEU N . 34278 1 219 . 1 1 21 21 ALA H H 1 8.016 0.03 . 1 . . . . A 21 ALA H . 34278 1 220 . 1 1 21 21 ALA HA H 1 4.111 0.03 . 1 . . . . A 21 ALA HA . 34278 1 221 . 1 1 21 21 ALA HB1 H 1 1.455 0.03 . 1 . . . . A 21 ALA HB1 . 34278 1 222 . 1 1 21 21 ALA HB2 H 1 1.455 0.03 . 1 . . . . A 21 ALA HB2 . 34278 1 223 . 1 1 21 21 ALA HB3 H 1 1.455 0.03 . 1 . . . . A 21 ALA HB3 . 34278 1 224 . 1 1 21 21 ALA CA C 13 54.874 0.30 . 1 . . . . A 21 ALA CA . 34278 1 225 . 1 1 22 22 ALA H H 1 7.97 0.03 . 1 . . . . A 22 ALA H . 34278 1 226 . 1 1 22 22 ALA HA H 1 3.814 0.03 . 1 . . . . A 22 ALA HA . 34278 1 227 . 1 1 22 22 ALA HB1 H 1 1.469 0.03 . 1 . . . . A 22 ALA HB1 . 34278 1 228 . 1 1 22 22 ALA HB2 H 1 1.469 0.03 . 1 . . . . A 22 ALA HB2 . 34278 1 229 . 1 1 22 22 ALA HB3 H 1 1.469 0.03 . 1 . . . . A 22 ALA HB3 . 34278 1 230 . 1 1 22 22 ALA CB C 13 18.209 0.30 . 1 . . . . A 22 ALA CB . 34278 1 231 . 1 1 23 23 TRP H H 1 7.47 0.03 . 1 . . . . A 23 TRP H . 34278 1 232 . 1 1 23 23 TRP HA H 1 4.21 0.03 . 1 . . . . A 23 TRP HA . 34278 1 233 . 1 1 23 23 TRP HB2 H 1 3.451 0.03 . 1 . . . . A 23 TRP HB2 . 34278 1 234 . 1 1 23 23 TRP HB3 H 1 3.34 0.03 . 1 . . . . A 23 TRP HB3 . 34278 1 235 . 1 1 23 23 TRP HD1 H 1 7.189 0.03 . 1 . . . . A 23 TRP HD1 . 34278 1 236 . 1 1 23 23 TRP HE1 H 1 10.483 0.03 . 1 . . . . A 23 TRP HE1 . 34278 1 237 . 1 1 23 23 TRP HE3 H 1 7.475 0.03 . 1 . . . . A 23 TRP HE3 . 34278 1 238 . 1 1 23 23 TRP HZ2 H 1 7.446 0.03 . 1 . . . . A 23 TRP HZ2 . 34278 1 239 . 1 1 23 23 TRP HZ3 H 1 6.899 0.03 . 1 . . . . A 23 TRP HZ3 . 34278 1 240 . 1 1 23 23 TRP HH2 H 1 7.069 0.03 . 1 . . . . A 23 TRP HH2 . 34278 1 241 . 1 1 23 23 TRP CD1 C 13 126.532 0.30 . 1 . . . . A 23 TRP CD1 . 34278 1 242 . 1 1 23 23 TRP CE3 C 13 120.252 0.30 . 1 . . . . A 23 TRP CE3 . 34278 1 243 . 1 1 23 23 TRP CZ2 C 13 114.383 0.30 . 1 . . . . A 23 TRP CZ2 . 34278 1 244 . 1 1 23 23 TRP CZ3 C 13 120.707 0.30 . 1 . . . . A 23 TRP CZ3 . 34278 1 245 . 1 1 23 23 TRP CH2 C 13 123.711 0.30 . 1 . . . . A 23 TRP CH2 . 34278 1 246 . 1 1 23 23 TRP NE1 N 15 129.681 0.30 . 1 . . . . A 23 TRP NE1 . 34278 1 247 . 1 1 24 24 ALA H H 1 8.264 0.03 . 1 . . . . A 24 ALA H . 34278 1 248 . 1 1 24 24 ALA HA H 1 3.934 0.03 . 1 . . . . A 24 ALA HA . 34278 1 249 . 1 1 24 24 ALA HB1 H 1 1.37 0.03 . 1 . . . . A 24 ALA HB1 . 34278 1 250 . 1 1 24 24 ALA HB2 H 1 1.37 0.03 . 1 . . . . A 24 ALA HB2 . 34278 1 251 . 1 1 24 24 ALA HB3 H 1 1.37 0.03 . 1 . . . . A 24 ALA HB3 . 34278 1 252 . 1 1 24 24 ALA CA C 13 54.89 0.30 . 1 . . . . A 24 ALA CA . 34278 1 253 . 1 1 24 24 ALA CB C 13 17.721 0.30 . 1 . . . . A 24 ALA CB . 34278 1 254 . 1 1 24 24 ALA N N 15 119.366 0.30 . 1 . . . . A 24 ALA N . 34278 1 255 . 1 1 25 25 LEU H H 1 7.595 0.03 . 1 . . . . A 25 LEU H . 34278 1 256 . 1 1 25 25 LEU HA H 1 4.136 0.03 . 1 . . . . A 25 LEU HA . 34278 1 257 . 1 1 25 25 LEU HB2 H 1 1.789 0.03 . 1 . . . . A 25 LEU HB2 . 34278 1 258 . 1 1 25 25 LEU HB3 H 1 1.534 0.03 . 1 . . . . A 25 LEU HB3 . 34278 1 259 . 1 1 25 25 LEU HG H 1 1.786 0.03 . 1 . . . . A 25 LEU HG . 34278 1 260 . 1 1 25 25 LEU HD11 H 1 0.857 0.03 . 2 . . . . A 25 LEU HD11 . 34278 1 261 . 1 1 25 25 LEU HD12 H 1 0.857 0.03 . 2 . . . . A 25 LEU HD12 . 34278 1 262 . 1 1 25 25 LEU HD13 H 1 0.857 0.03 . 2 . . . . A 25 LEU HD13 . 34278 1 263 . 1 1 25 25 LEU HD21 H 1 0.875 0.03 . 2 . . . . A 25 LEU HD21 . 34278 1 264 . 1 1 25 25 LEU HD22 H 1 0.875 0.03 . 2 . . . . A 25 LEU HD22 . 34278 1 265 . 1 1 25 25 LEU HD23 H 1 0.875 0.03 . 2 . . . . A 25 LEU HD23 . 34278 1 266 . 1 1 25 25 LEU CB C 13 42.883 0.30 . 1 . . . . A 25 LEU CB . 34278 1 267 . 1 1 25 25 LEU CG C 13 26.876 0.30 . 1 . . . . A 25 LEU CG . 34278 1 268 . 1 1 25 25 LEU CD1 C 13 23.407 0.30 . 2 . . . . A 25 LEU CD1 . 34278 1 269 . 1 1 25 25 LEU CD2 C 13 25.161 0.30 . 2 . . . . A 25 LEU CD2 . 34278 1 270 . 1 1 26 26 LEU H H 1 7.621 0.03 . 1 . . . . A 26 LEU H . 34278 1 271 . 1 1 26 26 LEU HA H 1 4.233 0.03 . 1 . . . . A 26 LEU HA . 34278 1 272 . 1 1 26 26 LEU HB3 H 1 1.413 0.03 . 1 . . . . A 26 LEU HB3 . 34278 1 273 . 1 1 26 26 LEU HG H 1 1.703 0.03 . 1 . . . . A 26 LEU HG . 34278 1 274 . 1 1 26 26 LEU HD11 H 1 0.815 0.03 . 2 . . . . A 26 LEU HD11 . 34278 1 275 . 1 1 26 26 LEU HD12 H 1 0.815 0.03 . 2 . . . . A 26 LEU HD12 . 34278 1 276 . 1 1 26 26 LEU HD13 H 1 0.815 0.03 . 2 . . . . A 26 LEU HD13 . 34278 1 277 . 1 1 26 26 LEU HD21 H 1 0.836 0.03 . 2 . . . . A 26 LEU HD21 . 34278 1 278 . 1 1 26 26 LEU HD22 H 1 0.836 0.03 . 2 . . . . A 26 LEU HD22 . 34278 1 279 . 1 1 26 26 LEU HD23 H 1 0.836 0.03 . 2 . . . . A 26 LEU HD23 . 34278 1 280 . 1 1 26 26 LEU CB C 13 43.187 0.30 . 1 . . . . A 26 LEU CB . 34278 1 281 . 1 1 26 26 LEU CG C 13 26.767 0.30 . 1 . . . . A 26 LEU CG . 34278 1 282 . 1 1 26 26 LEU CD1 C 13 23.126 0.30 . 2 . . . . A 26 LEU CD1 . 34278 1 283 . 1 1 26 26 LEU CD2 C 13 25.38 0.30 . 2 . . . . A 26 LEU CD2 . 34278 1 284 . 1 1 27 27 ALA H H 1 7.663 0.03 . 1 . . . . A 27 ALA H . 34278 1 285 . 1 1 27 27 ALA HA H 1 3.981 0.03 . 1 . . . . A 27 ALA HA . 34278 1 286 . 1 1 27 27 ALA HB1 H 1 0.886 0.03 . 1 . . . . A 27 ALA HB1 . 34278 1 287 . 1 1 27 27 ALA HB2 H 1 0.886 0.03 . 1 . . . . A 27 ALA HB2 . 34278 1 288 . 1 1 27 27 ALA HB3 H 1 0.886 0.03 . 1 . . . . A 27 ALA HB3 . 34278 1 289 . 1 1 27 27 ALA CA C 13 51.451 0.30 . 1 . . . . A 27 ALA CA . 34278 1 290 . 1 1 27 27 ALA CB C 13 18.206 0.30 . 1 . . . . A 27 ALA CB . 34278 1 291 . 1 1 27 27 ALA N N 15 120.741 0.30 . 1 . . . . A 27 ALA N . 34278 1 stop_ save_