################################### # 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 51853 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'MEG 2.1 isoform 3' _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' . . . 51853 1 2 '2D 1H-13C HSQC' . . . 51853 1 3 '2D 1H-1H NOESY' . . . 51853 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 . . 51853 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 MET H H 1 7.800 0.00 . . . . . . . 1 MET HN . 51853 1 2 . 1 . 1 1 1 MET HA H 1 4.309 0.00 . . . . . . . 1 MET HA . 51853 1 3 . 1 . 1 1 1 MET HB2 H 1 1.950 0.00 . . . . . . . 1 MET HB2 . 51853 1 4 . 1 . 1 1 1 MET HB3 H 1 1.904 0.00 . . . . . . . 1 MET HB3 . 51853 1 5 . 1 . 1 1 1 MET N N 15 118.824 0.00 . . . . . . . 1 MET N . 51853 1 6 . 1 . 1 2 2 LYS H H 1 8.564 0.00 . . . . . . . 2 LYS HN . 51853 1 7 . 1 . 1 2 2 LYS HA H 1 4.311 0.00 . . . . . . . 2 LYS HA . 51853 1 8 . 1 . 1 2 2 LYS HB2 H 1 1.637 0.00 . . . . . . . 2 LYS HB2 . 51853 1 9 . 1 . 1 2 2 LYS HB3 H 1 1.509 0.01 . . . . . . . 2 LYS HB3 . 51853 1 10 . 1 . 1 2 2 LYS HG2 H 1 1.302 0.01 . . . . . . . 2 LYS HG2 . 51853 1 11 . 1 . 1 2 2 LYS HD2 H 1 1.508 0.00 . . . . . . . 2 LYS HD2 . 51853 1 12 . 1 . 1 2 2 LYS CA C 13 54.653 0.00 . . . . . . . 2 LYS CA . 51853 1 13 . 1 . 1 2 2 LYS CB C 13 33.422 0.00 . . . . . . . 2 LYS CB . 51853 1 14 . 1 . 1 2 2 LYS CG C 13 24.361 0.00 . . . . . . . 2 LYS CG . 51853 1 15 . 1 . 1 2 2 LYS CD C 13 28.800 0.00 . . . . . . . 2 LYS CD . 51853 1 16 . 1 . 1 2 2 LYS N N 15 122.158 0.00 . . . . . . . 2 LYS N . 51853 1 17 . 1 . 1 3 3 LEU H H 1 8.167 0.00 . . . . . . . 3 LEU HN . 51853 1 18 . 1 . 1 3 3 LEU HA H 1 4.366 0.00 . . . . . . . 3 LEU HA . 51853 1 19 . 1 . 1 3 3 LEU HB3 H 1 1.455 0.01 . . . . . . . 3 LEU HB3 . 51853 1 20 . 1 . 1 3 3 LEU HG H 1 1.579 0.00 . . . . . . . 3 LEU HG . 51853 1 21 . 1 . 1 3 3 LEU HD11 H 1 0.846 0.00 . . . . . . . 3 LEU HD1 . 51853 1 22 . 1 . 1 3 3 LEU HD12 H 1 0.846 0.00 . . . . . . . 3 LEU HD1 . 51853 1 23 . 1 . 1 3 3 LEU HD13 H 1 0.846 0.00 . . . . . . . 3 LEU HD1 . 51853 1 24 . 1 . 1 3 3 LEU HD21 H 1 0.808 0.00 . . . . . . . 3 LEU HD2 . 51853 1 25 . 1 . 1 3 3 LEU HD22 H 1 0.808 0.00 . . . . . . . 3 LEU HD2 . 51853 1 26 . 1 . 1 3 3 LEU HD23 H 1 0.808 0.00 . . . . . . . 3 LEU HD2 . 51853 1 27 . 1 . 1 3 3 LEU CA C 13 53.023 0.00 . . . . . . . 3 LEU CA . 51853 1 28 . 1 . 1 3 3 LEU CB C 13 42.081 0.00 . . . . . . . 3 LEU CB . 51853 1 29 . 1 . 1 3 3 LEU CG C 13 26.263 0.00 . . . . . . . 3 LEU CG . 51853 1 30 . 1 . 1 3 3 LEU CD1 C 13 20.873 0.00 . . . . . . . 3 LEU CD1 . 51853 1 31 . 1 . 1 3 3 LEU CD2 C 13 21.242 0.00 . . . . . . . 3 LEU CD2 . 51853 1 32 . 1 . 1 3 3 LEU N N 15 120.493 0.00 . . . . . . . 3 LEU N . 51853 1 33 . 1 . 1 4 4 SER H H 1 7.918 0.00 . . . . . . . 4 SER HN . 51853 1 34 . 1 . 1 4 4 SER HA H 1 4.229 0.00 . . . . . . . 4 SER HA . 51853 1 35 . 1 . 1 4 4 SER HB2 H 1 3.601 0.02 . . . . . . . 4 SER HB2 . 51853 1 36 . 1 . 1 4 4 SER HB3 H 1 3.538 0.01 . . . . . . . 4 SER HB3 . 51853 1 37 . 1 . 1 4 4 SER CA C 13 57.250 0.00 . . . . . . . 4 SER CA . 51853 1 38 . 1 . 1 4 4 SER CB C 13 63.779 0.02 . . . . . . . 4 SER CB . 51853 1 39 . 1 . 1 4 4 SER N N 15 113.165 0.00 . . . . . . . 4 SER N . 51853 1 40 . 1 . 1 5 5 GLY H H 1 8.107 0.01 . . . . . . . 5 GLY HN . 51853 1 41 . 1 . 1 5 5 GLY HA2 H 1 3.758 0.01 . . . . . . . 5 GLY HA2 . 51853 1 42 . 1 . 1 5 5 GLY HA3 H 1 3.690 0.00 . . . . . . . 5 GLY HA3 . 51853 1 43 . 1 . 1 5 5 GLY CA C 13 44.306 0.00 . . . . . . . 5 GLY CA . 51853 1 44 . 1 . 1 5 5 GLY N N 15 107.465 0.00 . . . . . . . 5 GLY N . 51853 1 45 . 1 . 1 6 6 ALA H H 1 7.994 0.00 . . . . . . . 6 ALA HN . 51853 1 46 . 1 . 1 6 6 ALA HA H 1 4.272 0.01 . . . . . . . 6 ALA HA . 51853 1 47 . 1 . 1 6 6 ALA HB1 H 1 1.177 0.00 . . . . . . . 6 ALA HB . 51853 1 48 . 1 . 1 6 6 ALA HB2 H 1 1.177 0.00 . . . . . . . 6 ALA HB . 51853 1 49 . 1 . 1 6 6 ALA HB3 H 1 1.177 0.00 . . . . . . . 6 ALA HB . 51853 1 50 . 1 . 1 6 6 ALA CA C 13 50.295 0.00 . . . . . . . 6 ALA CA . 51853 1 51 . 1 . 1 6 6 ALA CB C 13 20.119 0.00 . . . . . . . 6 ALA CB . 51853 1 52 . 1 . 1 6 6 ALA N N 15 120.188 0.00 . . . . . . . 6 ALA N . 51853 1 53 . 1 . 1 7 7 ASN H H 1 8.222 0.00 . . . . . . . 7 ASN HN . 51853 1 54 . 1 . 1 7 7 ASN HA H 1 4.513 0.00 . . . . . . . 7 ASN HA . 51853 1 55 . 1 . 1 7 7 ASN CA C 13 51.966 0.00 . . . . . . . 7 ASN CA . 51853 1 56 . 1 . 1 7 7 ASN N N 15 116.693 0.00 . . . . . . . 7 ASN N . 51853 1 57 . 1 . 1 8 8 CYS H H 1 7.887 0.00 . . . . . . . 8 CYS HN . 51853 1 58 . 1 . 1 8 8 CYS HA H 1 4.332 0.00 . . . . . . . 8 CYS HA . 51853 1 59 . 1 . 1 8 8 CYS CA C 13 57.119 0.00 . . . . . . . 8 CYS CA . 51853 1 60 . 1 . 1 8 8 CYS N N 15 115.250 0.00 . . . . . . . 8 CYS N . 51853 1 61 . 1 . 1 9 9 LEU H H 1 8.082 0.00 . . . . . . . 9 LEU H . 51853 1 62 . 1 . 1 9 9 LEU HA H 1 4.252 0.01 . . . . . . . 9 LEU HA . 51853 1 63 . 1 . 1 9 9 LEU HB3 H 1 1.462 0.00 . . . . . . . 9 LEU HB3 . 51853 1 64 . 1 . 1 9 9 LEU HG H 1 1.579 0.00 . . . . . . . 9 LEU HG . 51853 1 65 . 1 . 1 9 9 LEU HD11 H 1 0.844 0.01 . . . . . . . 9 LEU HD1 . 51853 1 66 . 1 . 1 9 9 LEU HD12 H 1 0.844 0.01 . . . . . . . 9 LEU HD1 . 51853 1 67 . 1 . 1 9 9 LEU HD13 H 1 0.844 0.01 . . . . . . . 9 LEU HD1 . 51853 1 68 . 1 . 1 9 9 LEU HD21 H 1 0.799 0.02 . . . . . . . 9 LEU HD2 . 51853 1 69 . 1 . 1 9 9 LEU HD22 H 1 0.799 0.02 . . . . . . . 9 LEU HD2 . 51853 1 70 . 1 . 1 9 9 LEU HD23 H 1 0.799 0.02 . . . . . . . 9 LEU HD2 . 51853 1 71 . 1 . 1 9 9 LEU CA C 13 53.272 0.00 . . . . . . . 9 LEU CA . 51853 1 72 . 1 . 1 9 9 LEU CB C 13 42.218 0.00 . . . . . . . 9 LEU CB . 51853 1 73 . 1 . 1 9 9 LEU CG C 13 26.263 0.00 . . . . . . . 9 LEU CG . 51853 1 74 . 1 . 1 9 9 LEU CD1 C 13 20.873 0.00 . . . . . . . 9 LEU CD1 . 51853 1 75 . 1 . 1 9 9 LEU CD2 C 13 20.368 0.00 . . . . . . . 9 LEU CD2 . 51853 1 76 . 1 . 1 9 9 LEU N N 15 119.874 0.00 . . . . . . . 9 LEU N . 51853 1 77 . 1 . 1 10 10 VAL H H 1 7.593 0.00 . . . . . . . 10 VAL HN . 51853 1 78 . 1 . 1 10 10 VAL HA H 1 4.014 0.02 . . . . . . . 10 VAL HA . 51853 1 79 . 1 . 1 10 10 VAL HB H 1 1.897 0.01 . . . . . . . 10 VAL HB . 51853 1 80 . 1 . 1 10 10 VAL HG11 H 1 0.728 0.00 . . . . . . . 10 VAL HG1 . 51853 1 81 . 1 . 1 10 10 VAL HG12 H 1 0.728 0.00 . . . . . . . 10 VAL HG1 . 51853 1 82 . 1 . 1 10 10 VAL HG13 H 1 0.728 0.00 . . . . . . . 10 VAL HG1 . 51853 1 83 . 1 . 1 10 10 VAL CA C 13 60.432 0.00 . . . . . . . 10 VAL CA . 51853 1 84 . 1 . 1 10 10 VAL CB C 13 32.408 0.00 . . . . . . . 10 VAL CB . 51853 1 85 . 1 . 1 10 10 VAL CG1 C 13 20.514 0.00 . . . . . . . 10 VAL CG1 . 51853 1 86 . 1 . 1 10 10 VAL N N 15 114.735 0.00 . . . . . . . 10 VAL N . 51853 1 87 . 1 . 1 11 11 VAL H H 1 7.650 0.00 . . . . . . . 11 VAL HN . 51853 1 88 . 1 . 1 11 11 VAL HA H 1 4.035 0.01 . . . . . . . 11 VAL HA . 51853 1 89 . 1 . 1 11 11 VAL HB H 1 1.899 0.01 . . . . . . . 11 VAL HB . 51853 1 90 . 1 . 1 11 11 VAL HG11 H 1 0.728 0.00 . . . . . . . 11 VAL HG1 . 51853 1 91 . 1 . 1 11 11 VAL HG12 H 1 0.728 0.00 . . . . . . . 11 VAL HG1 . 51853 1 92 . 1 . 1 11 11 VAL HG13 H 1 0.728 0.00 . . . . . . . 11 VAL HG1 . 51853 1 93 . 1 . 1 11 11 VAL HG21 H 1 0.727 0.00 . . . . . . . 11 VAL HG2 . 51853 1 94 . 1 . 1 11 11 VAL HG22 H 1 0.727 0.00 . . . . . . . 11 VAL HG2 . 51853 1 95 . 1 . 1 11 11 VAL HG23 H 1 0.727 0.00 . . . . . . . 11 VAL HG2 . 51853 1 96 . 1 . 1 11 11 VAL CA C 13 60.351 0.00 . . . . . . . 11 VAL CA . 51853 1 97 . 1 . 1 11 11 VAL CB C 13 32.453 0.00 . . . . . . . 11 VAL CB . 51853 1 98 . 1 . 1 11 11 VAL CG1 C 13 21.240 0.00 . . . . . . . 11 VAL CG1 . 51853 1 99 . 1 . 1 11 11 VAL N N 15 117.607 0.00 . . . . . . . 11 VAL N . 51853 1 100 . 1 . 1 12 12 PHE H H 1 7.949 0.00 . . . . . . . 12 PHE HN . 51853 1 101 . 1 . 1 12 12 PHE HA H 1 4.492 0.18 . . . . . . . 12 PHE HA . 51853 1 102 . 1 . 1 12 12 PHE HB2 H 1 3.013 0.00 . . . . . . . 12 PHE HB2 . 51853 1 103 . 1 . 1 12 12 PHE HB3 H 1 2.772 0.01 . . . . . . . 12 PHE HB3 . 51853 1 104 . 1 . 1 12 12 PHE HD1 H 1 7.176 0.00 . . . . . . . 12 PHE HD1 . 51853 1 105 . 1 . 1 12 12 PHE HE1 H 1 7.124 0.00 . . . . . . . 12 PHE HE1 . 51853 1 106 . 1 . 1 12 12 PHE HZ H 1 7.173 0.00 . . . . . . . 12 PHE HZ . 51853 1 107 . 1 . 1 12 12 PHE CD1 C 13 130.008 0.00 . . . . . . . 12 PHE CD1 . 51853 1 108 . 1 . 1 12 12 PHE CE1 C 13 128.388 0.00 . . . . . . . 12 PHE CE1 . 51853 1 109 . 1 . 1 12 12 PHE CZ C 13 131.143 0.00 . . . . . . . 12 PHE CZ . 51853 1 110 . 1 . 1 12 12 PHE N N 15 117.776 0.00 . . . . . . . 12 PHE N . 51853 1 111 . 1 . 1 13 13 SER H H 1 8.119 0.00 . . . . . . . 13 SER HN . 51853 1 112 . 1 . 1 13 13 SER HA H 1 4.362 0.01 . . . . . . . 13 SER HA . 51853 1 113 . 1 . 1 13 13 SER HB2 H 1 3.609 0.00 . . . . . . . 13 SER HB2 . 51853 1 114 . 1 . 1 13 13 SER HB3 H 1 3.548 0.00 . . . . . . . 13 SER HB3 . 51853 1 115 . 1 . 1 13 13 SER CA C 13 56.749 0.00 . . . . . . . 13 SER CA . 51853 1 116 . 1 . 1 13 13 SER CB C 13 63.761 0.00 . . . . . . . 13 SER CB . 51853 1 117 . 1 . 1 13 13 SER N N 15 112.967 0.00 . . . . . . . 13 SER N . 51853 1 118 . 1 . 1 14 14 LEU H H 1 8.254 0.00 . . . . . . . 14 LEU HN . 51853 1 119 . 1 . 1 14 14 LEU HA H 1 4.143 0.00 . . . . . . . 14 LEU HA . 51853 1 120 . 1 . 1 14 14 LEU HB2 H 1 1.520 0.00 . . . . . . . 14 LEU HB2 . 51853 1 121 . 1 . 1 14 14 LEU HG H 1 1.615 0.00 . . . . . . . 14 LEU HG . 51853 1 122 . 1 . 1 14 14 LEU HD11 H 1 0.879 0.00 . . . . . . . 14 LEU HD1 . 51853 1 123 . 1 . 1 14 14 LEU HD12 H 1 0.879 0.00 . . . . . . . 14 LEU HD1 . 51853 1 124 . 1 . 1 14 14 LEU HD13 H 1 0.879 0.00 . . . . . . . 14 LEU HD1 . 51853 1 125 . 1 . 1 14 14 LEU HD21 H 1 0.838 0.00 . . . . . . . 14 LEU HD2 . 51853 1 126 . 1 . 1 14 14 LEU HD22 H 1 0.838 0.00 . . . . . . . 14 LEU HD2 . 51853 1 127 . 1 . 1 14 14 LEU HD23 H 1 0.838 0.00 . . . . . . . 14 LEU HD2 . 51853 1 128 . 1 . 1 14 14 LEU CA C 13 54.404 0.00 . . . . . . . 14 LEU CA . 51853 1 129 . 1 . 1 14 14 LEU CB C 13 42.089 0.00 . . . . . . . 14 LEU CB . 51853 1 130 . 1 . 1 14 14 LEU N N 15 121.864 0.00 . . . . . . . 14 LEU N . 51853 1 131 . 1 . 1 15 15 LEU H H 1 7.948 0.00 . . . . . . . 15 LEU HN . 51853 1 132 . 1 . 1 15 15 LEU HA H 1 4.053 0.02 . . . . . . . 15 LEU HA . 51853 1 133 . 1 . 1 15 15 LEU HB2 H 1 1.518 0.00 . . . . . . . 15 LEU HB2 . 51853 1 134 . 1 . 1 15 15 LEU HB3 H 1 1.460 0.01 . . . . . . . 15 LEU HB3 . 51853 1 135 . 1 . 1 15 15 LEU HG H 1 1.582 0.00 . . . . . . . 15 LEU HG . 51853 1 136 . 1 . 1 15 15 LEU HD11 H 1 0.844 0.00 . . . . . . . 15 LEU HD1 . 51853 1 137 . 1 . 1 15 15 LEU HD12 H 1 0.844 0.00 . . . . . . . 15 LEU HD1 . 51853 1 138 . 1 . 1 15 15 LEU HD13 H 1 0.844 0.00 . . . . . . . 15 LEU HD1 . 51853 1 139 . 1 . 1 15 15 LEU HD21 H 1 0.808 0.00 . . . . . . . 15 LEU HD2 . 51853 1 140 . 1 . 1 15 15 LEU HD22 H 1 0.808 0.00 . . . . . . . 15 LEU HD2 . 51853 1 141 . 1 . 1 15 15 LEU HD23 H 1 0.808 0.00 . . . . . . . 15 LEU HD2 . 51853 1 142 . 1 . 1 15 15 LEU CA C 13 55.487 0.00 . . . . . . . 15 LEU CA . 51853 1 143 . 1 . 1 15 15 LEU CB C 13 42.105 0.00 . . . . . . . 15 LEU CB . 51853 1 144 . 1 . 1 15 15 LEU CG C 13 26.263 0.00 . . . . . . . 15 LEU CG . 51853 1 145 . 1 . 1 15 15 LEU N N 15 119.106 0.00 . . . . . . . 15 LEU N . 51853 1 146 . 1 . 1 16 16 GLN H H 1 7.839 0.00 . . . . . . . 16 GLN HN . 51853 1 147 . 1 . 1 16 16 GLN HA H 1 3.982 0.01 . . . . . . . 16 GLN HA . 51853 1 148 . 1 . 1 16 16 GLN HB2 H 1 1.902 0.01 . . . . . . . 16 GLN HB2 . 51853 1 149 . 1 . 1 16 16 GLN HB3 H 1 1.825 0.00 . . . . . . . 16 GLN HB3 . 51853 1 150 . 1 . 1 16 16 GLN HG2 H 1 2.082 0.01 . . . . . . . 16 GLN HG2 . 51853 1 151 . 1 . 1 16 16 GLN HG3 H 1 2.125 0.00 . . . . . . . 16 GLN HG3 . 51853 1 152 . 1 . 1 16 16 GLN CA C 13 56.018 0.00 . . . . . . . 16 GLN CA . 51853 1 153 . 1 . 1 16 16 GLN CB C 13 29.175 0.02 . . . . . . . 16 GLN CB . 51853 1 154 . 1 . 1 16 16 GLN CG C 13 33.725 0.00 . . . . . . . 16 GLN CG . 51853 1 155 . 1 . 1 16 16 GLN N N 15 119.049 0.00 . . . . . . . 16 GLN N . 51853 1 156 . 1 . 1 17 17 LEU H H 1 7.767 0.00 . . . . . . . 17 LEU HN . 51853 1 157 . 1 . 1 17 17 LEU HA H 1 4.101 0.01 . . . . . . . 17 LEU HA . 51853 1 158 . 1 . 1 17 17 LEU HB2 H 1 1.522 0.01 . . . . . . . 17 LEU HB2 . 51853 1 159 . 1 . 1 17 17 LEU HG H 1 1.590 0.01 . . . . . . . 17 LEU HG . 51853 1 160 . 1 . 1 17 17 LEU HD11 H 1 0.838 0.00 . . . . . . . 17 LEU HD1 . 51853 1 161 . 1 . 1 17 17 LEU HD12 H 1 0.838 0.00 . . . . . . . 17 LEU HD1 . 51853 1 162 . 1 . 1 17 17 LEU HD13 H 1 0.838 0.00 . . . . . . . 17 LEU HD1 . 51853 1 163 . 1 . 1 17 17 LEU HD21 H 1 0.779 0.00 . . . . . . . 17 LEU HD2 . 51853 1 164 . 1 . 1 17 17 LEU HD22 H 1 0.779 0.00 . . . . . . . 17 LEU HD2 . 51853 1 165 . 1 . 1 17 17 LEU HD23 H 1 0.779 0.00 . . . . . . . 17 LEU HD2 . 51853 1 166 . 1 . 1 17 17 LEU CA C 13 54.711 0.00 . . . . . . . 17 LEU CA . 51853 1 167 . 1 . 1 17 17 LEU CB C 13 42.073 0.00 . . . . . . . 17 LEU CB . 51853 1 168 . 1 . 1 17 17 LEU CG C 13 26.263 0.00 . . . . . . . 17 LEU CG . 51853 1 169 . 1 . 1 17 17 LEU N N 15 118.391 0.00 . . . . . . . 17 LEU N . 51853 1 170 . 1 . 1 18 18 LEU H H 1 7.918 0.00 . . . . . . . 18 LEU HN . 51853 1 171 . 1 . 1 18 18 LEU HA H 1 4.144 0.01 . . . . . . . 18 LEU HA . 51853 1 172 . 1 . 1 18 18 LEU HB2 H 1 1.656 0.00 . . . . . . . 18 LEU HB2 . 51853 1 173 . 1 . 1 18 18 LEU HB3 H 1 1.448 0.01 . . . . . . . 18 LEU HB3 . 51853 1 174 . 1 . 1 18 18 LEU HG H 1 1.582 0.00 . . . . . . . 18 LEU HG . 51853 1 175 . 1 . 1 18 18 LEU HD11 H 1 0.835 0.00 . . . . . . . 18 LEU HD1 . 51853 1 176 . 1 . 1 18 18 LEU HD12 H 1 0.835 0.00 . . . . . . . 18 LEU HD1 . 51853 1 177 . 1 . 1 18 18 LEU HD13 H 1 0.835 0.00 . . . . . . . 18 LEU HD1 . 51853 1 178 . 1 . 1 18 18 LEU HD21 H 1 0.776 0.00 . . . . . . . 18 LEU HD2 . 51853 1 179 . 1 . 1 18 18 LEU HD22 H 1 0.776 0.00 . . . . . . . 18 LEU HD2 . 51853 1 180 . 1 . 1 18 18 LEU HD23 H 1 0.776 0.00 . . . . . . . 18 LEU HD2 . 51853 1 181 . 1 . 1 18 18 LEU CA C 13 54.501 0.00 . . . . . . . 18 LEU CA . 51853 1 182 . 1 . 1 18 18 LEU CB C 13 42.154 0.00 . . . . . . . 18 LEU CB . 51853 1 183 . 1 . 1 18 18 LEU CG C 13 26.263 0.00 . . . . . . . 18 LEU CG . 51853 1 184 . 1 . 1 18 18 LEU N N 15 118.219 0.00 . . . . . . . 18 LEU N . 51853 1 185 . 1 . 1 19 19 VAL H H 1 7.692 0.00 . . . . . . . 19 VAL HN . 51853 1 186 . 1 . 1 19 19 VAL HA H 1 3.905 0.00 . . . . . . . 19 VAL HA . 51853 1 187 . 1 . 1 19 19 VAL HB H 1 1.967 0.00 . . . . . . . 19 VAL HB . 51853 1 188 . 1 . 1 19 19 VAL HG11 H 1 0.811 0.00 . . . . . . . 19 VAL HG1 . 51853 1 189 . 1 . 1 19 19 VAL HG12 H 1 0.811 0.00 . . . . . . . 19 VAL HG1 . 51853 1 190 . 1 . 1 19 19 VAL HG13 H 1 0.811 0.00 . . . . . . . 19 VAL HG1 . 51853 1 191 . 1 . 1 19 19 VAL HG21 H 1 0.845 0.00 . . . . . . . 19 VAL HG2 . 51853 1 192 . 1 . 1 19 19 VAL HG22 H 1 0.845 0.00 . . . . . . . 19 VAL HG2 . 51853 1 193 . 1 . 1 19 19 VAL HG23 H 1 0.845 0.00 . . . . . . . 19 VAL HG2 . 51853 1 194 . 1 . 1 19 19 VAL CA C 13 61.403 0.00 . . . . . . . 19 VAL CA . 51853 1 195 . 1 . 1 19 19 VAL CB C 13 32.154 0.00 . . . . . . . 19 VAL CB . 51853 1 196 . 1 . 1 19 19 VAL N N 15 115.303 0.00 . . . . . . . 19 VAL N . 51853 1 197 . 1 . 1 20 20 ALA H H 1 7.948 0.00 . . . . . . . 20 ALA HN . 51853 1 198 . 1 . 1 20 20 ALA HA H 1 4.154 0.01 . . . . . . . 20 ALA HA . 51853 1 199 . 1 . 1 20 20 ALA HB1 H 1 1.242 0.00 . . . . . . . 20 ALA HB . 51853 1 200 . 1 . 1 20 20 ALA HB2 H 1 1.242 0.00 . . . . . . . 20 ALA HB . 51853 1 201 . 1 . 1 20 20 ALA HB3 H 1 1.242 0.00 . . . . . . . 20 ALA HB . 51853 1 202 . 1 . 1 20 20 ALA CA C 13 51.486 0.00 . . . . . . . 20 ALA CA . 51853 1 203 . 1 . 1 20 20 ALA CB C 13 19.349 0.00 . . . . . . . 20 ALA CB . 51853 1 204 . 1 . 1 20 20 ALA N N 15 122.512 0.00 . . . . . . . 20 ALA N . 51853 1 205 . 1 . 1 21 21 LEU H H 1 7.828 0.00 . . . . . . . 21 LEU HN . 51853 1 206 . 1 . 1 21 21 LEU HA H 1 4.212 0.00 . . . . . . . 21 LEU HA . 51853 1 207 . 1 . 1 21 21 LEU HB2 H 1 1.668 0.00 . . . . . . . 21 LEU HB2 . 51853 1 208 . 1 . 1 21 21 LEU HB3 H 1 1.451 0.01 . . . . . . . 21 LEU HB3 . 51853 1 209 . 1 . 1 21 21 LEU HG H 1 1.506 0.00 . . . . . . . 21 LEU HG . 51853 1 210 . 1 . 1 21 21 LEU HD11 H 1 0.815 0.00 . . . . . . . 21 LEU HD1 . 51853 1 211 . 1 . 1 21 21 LEU HD12 H 1 0.815 0.00 . . . . . . . 21 LEU HD1 . 51853 1 212 . 1 . 1 21 21 LEU HD13 H 1 0.815 0.00 . . . . . . . 21 LEU HD1 . 51853 1 213 . 1 . 1 21 21 LEU HD21 H 1 0.785 0.01 . . . . . . . 21 LEU HD2 . 51853 1 214 . 1 . 1 21 21 LEU HD22 H 1 0.785 0.01 . . . . . . . 21 LEU HD2 . 51853 1 215 . 1 . 1 21 21 LEU HD23 H 1 0.785 0.01 . . . . . . . 21 LEU HD2 . 51853 1 216 . 1 . 1 21 21 LEU CA C 13 53.745 0.00 . . . . . . . 21 LEU CA . 51853 1 217 . 1 . 1 21 21 LEU CB C 13 42.121 0.00 . . . . . . . 21 LEU CB . 51853 1 218 . 1 . 1 21 21 LEU N N 15 116.354 0.00 . . . . . . . 21 LEU N . 51853 1 219 . 1 . 1 22 22 SER H H 1 7.729 0.01 . . . . . . . 22 SER HN . 51853 1 220 . 1 . 1 22 22 SER HA H 1 4.196 0.00 . . . . . . . 22 SER HA . 51853 1 221 . 1 . 1 22 22 SER HB2 H 1 3.628 0.00 . . . . . . . 22 SER HB2 . 51853 1 222 . 1 . 1 22 22 SER HB3 H 1 3.548 0.01 . . . . . . . 22 SER HB3 . 51853 1 223 . 1 . 1 22 22 SER CA C 13 57.458 0.00 . . . . . . . 22 SER CA . 51853 1 224 . 1 . 1 22 22 SER CB C 13 63.559 0.01 . . . . . . . 22 SER CB . 51853 1 225 . 1 . 1 22 22 SER N N 15 112.633 0.00 . . . . . . . 22 SER N . 51853 1 226 . 1 . 1 23 23 HIS H H 1 7.923 0.01 . . . . . . . 23 HIS HN . 51853 1 227 . 1 . 1 23 23 HIS HA H 1 4.507 0.01 . . . . . . . 23 HIS HA . 51853 1 228 . 1 . 1 23 23 HIS HB2 H 1 3.043 0.01 . . . . . . . 23 HIS HB2 . 51853 1 229 . 1 . 1 23 23 HIS HB3 H 1 2.880 0.01 . . . . . . . 23 HIS HB3 . 51853 1 230 . 1 . 1 23 23 HIS HD2 H 1 7.286 0.01 . . . . . . . 23 HIS HD2 . 51853 1 231 . 1 . 1 23 23 HIS HE1 H 1 7.213 0.00 . . . . . . . 23 HIS HE1 . 51853 1 232 . 1 . 1 23 23 HIS CA C 13 54.108 0.00 . . . . . . . 23 HIS CA . 51853 1 233 . 1 . 1 23 23 HIS CB C 13 29.023 0.00 . . . . . . . 23 HIS CB . 51853 1 234 . 1 . 1 23 23 HIS CD2 C 13 129.730 0.00 . . . . . . . 23 HIS CD2 . 51853 1 235 . 1 . 1 23 23 HIS CE1 C 13 128.851 0.00 . . . . . . . 23 HIS CE1 . 51853 1 236 . 1 . 1 23 23 HIS N N 15 116.255 0.00 . . . . . . . 23 HIS N . 51853 1 237 . 1 . 1 24 24 TYR H H 1 7.843 0.00 . . . . . . . 24 TYR HN . 51853 1 238 . 1 . 1 24 24 TYR HA H 1 4.469 0.00 . . . . . . . 24 TYR HA . 51853 1 239 . 1 . 1 24 24 TYR HB2 H 1 2.857 0.01 . . . . . . . 24 TYR HB2 . 51853 1 240 . 1 . 1 24 24 TYR HB3 H 1 2.685 0.01 . . . . . . . 24 TYR HB3 . 51853 1 241 . 1 . 1 24 24 TYR HD1 H 1 6.957 0.00 . . . . . . . 24 TYR HD1 . 51853 1 242 . 1 . 1 24 24 TYR HD2 H 1 6.584 0.00 . . . . . . . 24 TYR HD2 . 51853 1 243 . 1 . 1 24 24 TYR HH H 1 9.136 0.00 . . . . . . . 24 TYR HH . 51853 1 244 . 1 . 1 24 24 TYR CA C 13 56.248 0.00 . . . . . . . 24 TYR CA . 51853 1 245 . 1 . 1 24 24 TYR CB C 13 38.777 0.00 . . . . . . . 24 TYR CB . 51853 1 246 . 1 . 1 24 24 TYR CD1 C 13 132.359 0.00 . . . . . . . 24 TYR CD1 . 51853 1 247 . 1 . 1 24 24 TYR CD2 C 13 116.949 0.00 . . . . . . . 24 TYR CD2 . 51853 1 248 . 1 . 1 24 24 TYR N N 15 117.223 0.00 . . . . . . . 24 TYR N . 51853 1 249 . 1 . 1 25 25 THR H H 1 8.189 0.01 . . . . . . . 25 THR HN . 51853 1 250 . 1 . 1 25 25 THR HA H 1 4.341 0.00 . . . . . . . 25 THR HA . 51853 1 251 . 1 . 1 25 25 THR HB H 1 3.808 0.01 . . . . . . . 25 THR HB . 51853 1 252 . 1 . 1 25 25 THR HG21 H 1 1.100 0.00 . . . . . . . 25 THR HG . 51853 1 253 . 1 . 1 25 25 THR HG22 H 1 1.100 0.00 . . . . . . . 25 THR HG . 51853 1 254 . 1 . 1 25 25 THR HG23 H 1 1.100 0.00 . . . . . . . 25 THR HG . 51853 1 255 . 1 . 1 25 25 THR CA C 13 58.953 0.00 . . . . . . . 25 THR CA . 51853 1 256 . 1 . 1 25 25 THR CB C 13 69.148 0.00 . . . . . . . 25 THR CB . 51853 1 257 . 1 . 1 25 25 THR CG2 C 13 21.488 0.00 . . . . . . . 25 THR CG . 51853 1 258 . 1 . 1 25 25 THR N N 15 118.068 0.00 . . . . . . . 25 THR N . 51853 1 259 . 1 . 1 26 26 PRO HA H 1 4.192 0.00 . . . . . . . 26 PRO HA . 51853 1 260 . 1 . 1 26 26 PRO HB2 H 1 2.132 0.00 . . . . . . . 26 PRO HB2 . 51853 1 261 . 1 . 1 26 26 PRO HG2 H 1 1.896 0.00 . . . . . . . 26 PRO HG2 . 51853 1 262 . 1 . 1 26 26 PRO HG3 H 1 1.828 0.00 . . . . . . . 26 PRO HG3 . 51853 1 263 . 1 . 1 26 26 PRO HD2 H 1 3.684 0.00 . . . . . . . 26 PRO HD2 . 51853 1 stop_ save_