################################### # 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 50687 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Nsp2_CtIDR 29xii20 chemical shifts' _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.05 _Assigned_chem_shift_list.Chem_shift_15N_err 0.01 _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 'Analysis of variation of chemical shift values for the same nucleus in different spectra.' _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 2 '2D 1H-15N HSQC' . . . 50687 1 6 '3D CBCA(CO)NH' . . . 50687 1 7 '3D HNCO' . . . 50687 1 8 '3D HNCA' . . . 50687 1 9 '2D CON' . . . 50687 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 . . 50687 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 LYS C C 13 176.383 0.05 . 1 . . . . . 1 LYS CO . 50687 1 2 . 1 . 1 1 1 LYS CA C 13 56.378 0.05 . 1 . . . . . 1 LYS CA . 50687 1 3 . 1 . 1 1 1 LYS CB C 13 33.130 0.05 . 1 . . . . . 1 LYS CB . 50687 1 4 . 1 . 1 2 2 GLU H H 1 8.834 0.01 . 1 . . . . . 2 GLU HN . 50687 1 5 . 1 . 1 2 2 GLU C C 13 176.056 0.05 . 1 . . . . . 2 GLU CO . 50687 1 6 . 1 . 1 2 2 GLU CA C 13 56.546 0.05 . 1 . . . . . 2 GLU CA . 50687 1 7 . 1 . 1 2 2 GLU CB C 13 30.114 0.05 . 1 . . . . . 2 GLU CB . 50687 1 8 . 1 . 1 2 2 GLU N N 15 123.231 0.01 . 1 . . . . . 2 GLU N . 50687 1 9 . 1 . 1 3 3 ILE H H 1 8.481 0.01 . 1 . . . . . 3 ILE HN . 50687 1 10 . 1 . 1 3 3 ILE C C 13 175.726 0.05 . 1 . . . . . 3 ILE CO . 50687 1 11 . 1 . 1 3 3 ILE CA C 13 60.869 0.05 . 1 . . . . . 3 ILE CA . 50687 1 12 . 1 . 1 3 3 ILE CB C 13 38.387 0.05 . 1 . . . . . 3 ILE CB . 50687 1 13 . 1 . 1 3 3 ILE N N 15 123.697 0.01 . 1 . . . . . 3 ILE N . 50687 1 14 . 1 . 1 4 4 ILE H H 1 8.387 0.01 . 1 . . . . . 4 ILE HN . 50687 1 15 . 1 . 1 4 4 ILE C C 13 175.435 0.05 . 1 . . . . . 4 ILE CO . 50687 1 16 . 1 . 1 4 4 ILE CA C 13 60.353 0.05 . 1 . . . . . 4 ILE CA . 50687 1 17 . 1 . 1 4 4 ILE CB C 13 38.956 0.05 . 1 . . . . . 4 ILE CB . 50687 1 18 . 1 . 1 4 4 ILE N N 15 126.531 0.01 . 1 . . . . . 4 ILE N . 50687 1 19 . 1 . 1 5 5 PHE H H 1 8.644 0.01 . 1 . . . . . 5 PHE HN . 50687 1 20 . 1 . 1 5 5 PHE C C 13 175.300 0.05 . 1 . . . . . 5 PHE CO . 50687 1 21 . 1 . 1 5 5 PHE CA C 13 57.511 0.05 . 1 . . . . . 5 PHE CA . 50687 1 22 . 1 . 1 5 5 PHE CB C 13 39.819 0.05 . 1 . . . . . 5 PHE CB . 50687 1 23 . 1 . 1 5 5 PHE N N 15 126.143 0.01 . 1 . . . . . 5 PHE N . 50687 1 24 . 1 . 1 6 6 LEU H H 1 8.556 0.01 . 1 . . . . . 6 LEU HN . 50687 1 25 . 1 . 1 6 6 LEU C C 13 176.781 0.05 . 1 . . . . . 6 LEU CO . 50687 1 26 . 1 . 1 6 6 LEU CA C 13 54.561 0.05 . 1 . . . . . 6 LEU CA . 50687 1 27 . 1 . 1 6 6 LEU CB C 13 42.492 0.05 . 1 . . . . . 6 LEU CB . 50687 1 28 . 1 . 1 6 6 LEU N N 15 126.024 0.01 . 1 . . . . . 6 LEU N . 50687 1 29 . 1 . 1 7 7 GLU H H 1 8.561 0.01 . 1 . . . . . 7 GLU HN . 50687 1 30 . 1 . 1 7 7 GLU C C 13 177.101 0.05 . 1 . . . . . 7 GLU CO . 50687 1 31 . 1 . 1 7 7 GLU CA C 13 57.097 0.05 . 1 . . . . . 7 GLU CA . 50687 1 32 . 1 . 1 7 7 GLU CB C 13 30.071 0.05 . 1 . . . . . 7 GLU CB . 50687 1 33 . 1 . 1 7 7 GLU N N 15 122.561 0.01 . 1 . . . . . 7 GLU N . 50687 1 34 . 1 . 1 8 8 GLY H H 1 8.675 0.01 . 1 . . . . . 8 GLY HN . 50687 1 35 . 1 . 1 8 8 GLY C C 13 174.056 0.05 . 1 . . . . . 8 GLY CO . 50687 1 36 . 1 . 1 8 8 GLY CA C 13 45.204 0.05 . 1 . . . . . 8 GLY CA . 50687 1 37 . 1 . 1 8 8 GLY N N 15 111.117 0.01 . 1 . . . . . 8 GLY N . 50687 1 38 . 1 . 1 9 9 GLU H H 1 8.322 0.01 . 1 . . . . . 9 GLU HN . 50687 1 39 . 1 . 1 9 9 GLU C C 13 176.544 0.05 . 1 . . . . . 9 GLU CO . 50687 1 40 . 1 . 1 9 9 GLU CA C 13 56.281 0.05 . 1 . . . . . 9 GLU CA . 50687 1 41 . 1 . 1 9 9 GLU CB C 13 30.710 0.05 . 1 . . . . . 9 GLU CB . 50687 1 42 . 1 . 1 9 9 GLU N N 15 120.634 0.01 . 1 . . . . . 9 GLU N . 50687 1 43 . 1 . 1 10 10 THR H H 1 8.507 0.01 . 1 . . . . . 10 THR HN . 50687 1 44 . 1 . 1 10 10 THR C C 13 174.269 0.05 . 1 . . . . . 10 THR CO . 50687 1 45 . 1 . 1 10 10 THR CA C 13 61.918 0.05 . 1 . . . . . 10 THR CA . 50687 1 46 . 1 . 1 10 10 THR CB C 13 69.904 0.05 . 1 . . . . . 10 THR CB . 50687 1 47 . 1 . 1 10 10 THR N N 15 116.887 0.01 . 1 . . . . . 10 THR N . 50687 1 48 . 1 . 1 11 11 LEU H H 1 8.586 0.01 . 1 . . . . . 11 LEU HN . 50687 1 49 . 1 . 1 11 11 LEU CA C 13 53.003 0.05 . 1 . . . . . 11 LEU CA . 50687 1 50 . 1 . 1 11 11 LEU N N 15 127.321 0.01 . 1 . . . . . 11 LEU N . 50687 1 51 . 1 . 1 12 12 PRO C C 13 177.012 0.05 . 1 . . . . . 12 PRO CO . 50687 1 52 . 1 . 1 12 12 PRO CA C 13 62.993 0.05 . 1 . . . . . 12 PRO CA . 50687 1 53 . 1 . 1 12 12 PRO CB C 13 32.245 0.05 . 1 . . . . . 12 PRO CB . 50687 1 54 . 1 . 1 13 13 THR H H 1 8.451 0.01 . 1 . . . . . 13 THR HN . 50687 1 55 . 1 . 1 13 13 THR C C 13 174.452 0.05 . 1 . . . . . 13 THR CO . 50687 1 56 . 1 . 1 13 13 THR CA C 13 62.021 0.05 . 1 . . . . . 13 THR CA . 50687 1 57 . 1 . 1 13 13 THR CB C 13 69.892 0.05 . 1 . . . . . 13 THR CB . 50687 1 58 . 1 . 1 13 13 THR N N 15 115.520 0.01 . 1 . . . . . 13 THR N . 50687 1 59 . 1 . 1 14 14 GLU H H 1 8.587 0.01 . 1 . . . . . 14 GLU HN . 50687 1 60 . 1 . 1 14 14 GLU C C 13 176.046 0.05 . 1 . . . . . 14 GLU CO . 50687 1 61 . 1 . 1 14 14 GLU CA C 13 56.339 0.05 . 1 . . . . . 14 GLU CA . 50687 1 62 . 1 . 1 14 14 GLU CB C 13 30.534 0.05 . 1 . . . . . 14 GLU CB . 50687 1 63 . 1 . 1 14 14 GLU N N 15 124.299 0.01 . 1 . . . . . 14 GLU N . 50687 1 64 . 1 . 1 15 15 VAL H H 1 8.522 0.01 . 1 . . . . . 15 VAL HN . 50687 1 65 . 1 . 1 15 15 VAL C C 13 175.984 0.05 . 1 . . . . . 15 VAL CO . 50687 1 66 . 1 . 1 15 15 VAL CA C 13 62.284 0.05 . 1 . . . . . 15 VAL CA . 50687 1 67 . 1 . 1 15 15 VAL CB C 13 32.818 0.05 . 1 . . . . . 15 VAL CB . 50687 1 68 . 1 . 1 15 15 VAL N N 15 123.481 0.01 . 1 . . . . . 15 VAL N . 50687 1 69 . 1 . 1 16 16 LEU H H 1 8.675 0.01 . 1 . . . . . 16 LEU HN . 50687 1 70 . 1 . 1 16 16 LEU C C 13 177.432 0.05 . 1 . . . . . 16 LEU CO . 50687 1 71 . 1 . 1 16 16 LEU CA C 13 54.818 0.05 . 1 . . . . . 16 LEU CA . 50687 1 72 . 1 . 1 16 16 LEU CB C 13 42.382 0.05 . 1 . . . . . 16 LEU CB . 50687 1 73 . 1 . 1 16 16 LEU N N 15 127.801 0.01 . 1 . . . . . 16 LEU N . 50687 1 74 . 1 . 1 17 17 THR H H 1 8.414 0.01 . 1 . . . . . 17 THR HN . 50687 1 75 . 1 . 1 17 17 THR C C 13 174.335 0.05 . 1 . . . . . 17 THR CO . 50687 1 76 . 1 . 1 17 17 THR CA C 13 61.752 0.05 . 1 . . . . . 17 THR CA . 50687 1 77 . 1 . 1 17 17 THR CB C 13 69.899 0.05 . 1 . . . . . 17 THR CB . 50687 1 78 . 1 . 1 17 17 THR N N 15 116.608 0.01 . 1 . . . . . 17 THR N . 50687 1 79 . 1 . 1 18 18 GLU H H 1 8.625 0.01 . 1 . . . . . 18 GLU HN . 50687 1 80 . 1 . 1 18 18 GLU C C 13 176.186 0.05 . 1 . . . . . 18 GLU CO . 50687 1 81 . 1 . 1 18 18 GLU CA C 13 56.300 0.05 . 1 . . . . . 18 GLU CA . 50687 1 82 . 1 . 1 18 18 GLU CB C 13 30.564 0.05 . 1 . . . . . 18 GLU CB . 50687 1 83 . 1 . 1 18 18 GLU N N 15 123.758 0.01 . 1 . . . . . 18 GLU N . 50687 1 84 . 1 . 1 19 19 GLU H H 1 8.652 0.01 . 1 . . . . . 19 GLU HN . 50687 1 85 . 1 . 1 19 19 GLU C C 13 176.367 0.05 . 1 . . . . . 19 GLU CO . 50687 1 86 . 1 . 1 19 19 GLU CA C 13 56.406 0.05 . 1 . . . . . 19 GLU CA . 50687 1 87 . 1 . 1 19 19 GLU CB C 13 30.486 0.05 . 1 . . . . . 19 GLU CB . 50687 1 88 . 1 . 1 19 19 GLU N N 15 123.243 0.01 . 1 . . . . . 19 GLU N . 50687 1 89 . 1 . 1 20 20 VAL H H 1 8.514 0.01 . 1 . . . . . 20 VAL HN . 50687 1 90 . 1 . 1 20 20 VAL C C 13 176.089 0.05 . 1 . . . . . 20 VAL CO . 50687 1 91 . 1 . 1 20 20 VAL CA C 13 62.614 0.05 . 1 . . . . . 20 VAL CA . 50687 1 92 . 1 . 1 20 20 VAL CB C 13 32.663 0.05 . 1 . . . . . 20 VAL CB . 50687 1 93 . 1 . 1 20 20 VAL N N 15 123.755 0.01 . 1 . . . . . 20 VAL N . 50687 1 94 . 1 . 1 21 21 VAL H H 1 8.519 0.01 . 1 . . . . . 21 VAL HN . 50687 1 95 . 1 . 1 21 21 VAL C C 13 176.050 0.05 . 1 . . . . . 21 VAL CO . 50687 1 96 . 1 . 1 21 21 VAL CA C 13 62.316 0.05 . 1 . . . . . 21 VAL CA . 50687 1 97 . 1 . 1 21 21 VAL CB C 13 32.770 0.05 . 1 . . . . . 21 VAL CB . 50687 1 98 . 1 . 1 21 21 VAL N N 15 126.633 0.01 . 1 . . . . . 21 VAL N . 50687 1 99 . 1 . 1 22 22 LEU H H 1 8.616 0.01 . 1 . . . . . 22 LEU HN . 50687 1 100 . 1 . 1 22 22 LEU C C 13 177.139 0.05 . 1 . . . . . 22 LEU CO . 50687 1 101 . 1 . 1 22 22 LEU CA C 13 54.917 0.05 . 1 . . . . . 22 LEU CA . 50687 1 102 . 1 . 1 22 22 LEU CB C 13 42.378 0.05 . 1 . . . . . 22 LEU CB . 50687 1 103 . 1 . 1 22 22 LEU N N 15 127.728 0.01 . 1 . . . . . 22 LEU N . 50687 1 104 . 1 . 1 23 23 LYS H H 1 8.656 0.01 . 1 . . . . . 23 LYS HN . 50687 1 105 . 1 . 1 23 23 LYS C C 13 176.802 0.05 . 1 . . . . . 23 LYS CO . 50687 1 106 . 1 . 1 23 23 LYS CA C 13 56.011 0.04 . 1 . . . . . 23 LYS CA . 50687 1 107 . 1 . 1 23 23 LYS CB C 13 33.075 0.05 . 1 . . . . . 23 LYS CB . 50687 1 108 . 1 . 1 23 23 LYS N N 15 123.913 0.01 . 1 . . . . . 23 LYS N . 50687 1 109 . 1 . 1 24 24 THR H H 1 8.407 0.01 . 1 . . . . . 24 THR HN . 50687 1 110 . 1 . 1 24 24 THR C C 13 175.174 0.05 . 1 . . . . . 24 THR CO . 50687 1 111 . 1 . 1 24 24 THR CA C 13 62.041 0.05 . 1 . . . . . 24 THR CA . 50687 1 112 . 1 . 1 24 24 THR CB C 13 69.866 0.05 . 1 . . . . . 24 THR CB . 50687 1 113 . 1 . 1 24 24 THR N N 15 116.028 0.01 . 1 . . . . . 24 THR N . 50687 1 114 . 1 . 1 25 25 GLY H H 1 8.624 0.01 . 1 . . . . . 25 GLY HN . 50687 1 115 . 1 . 1 25 25 GLY C C 13 173.859 0.05 . 1 . . . . . 25 GLY CO . 50687 1 116 . 1 . 1 25 25 GLY CA C 13 45.219 0.04 . 1 . . . . . 25 GLY CA . 50687 1 117 . 1 . 1 25 25 GLY N N 15 111.191 0.01 . 1 . . . . . 25 GLY N . 50687 1 118 . 1 . 1 26 26 ASP H H 1 8.395 0.01 . 1 . . . . . 26 ASP HN . 50687 1 119 . 1 . 1 26 26 ASP C C 13 176.288 0.05 . 1 . . . . . 26 ASP CO . 50687 1 120 . 1 . 1 26 26 ASP CA C 13 54.422 0.05 . 1 . . . . . 26 ASP CA . 50687 1 121 . 1 . 1 26 26 ASP CB C 13 41.126 0.05 . 1 . . . . . 26 ASP CB . 50687 1 122 . 1 . 1 26 26 ASP N N 15 120.655 0.01 . 1 . . . . . 26 ASP N . 50687 1 123 . 1 . 1 27 27 LEU H H 1 8.413 0.01 . 1 . . . . . 27 LEU HN . 50687 1 124 . 1 . 1 27 27 LEU C C 13 177.299 0.05 . 1 . . . . . 27 LEU CO . 50687 1 125 . 1 . 1 27 27 LEU CA C 13 55.082 0.05 . 1 . . . . . 27 LEU CA . 50687 1 126 . 1 . 1 27 27 LEU CB C 13 42.502 0.05 . 1 . . . . . 27 LEU CB . 50687 1 127 . 1 . 1 27 27 LEU N N 15 122.450 0.01 . 1 . . . . . 27 LEU N . 50687 1 128 . 1 . 1 28 28 GLN H H 1 8.566 0.01 . 1 . . . . . 28 GLN HN . 50687 1 129 . 1 . 1 28 28 GLN C C 13 173.927 0.05 . 1 . . . . . 28 GLN CO . 50687 1 130 . 1 . 1 28 28 GLN CA C 13 53.527 0.05 . 1 . . . . . 28 GLN CA . 50687 1 131 . 1 . 1 28 28 GLN N N 15 122.884 0.01 . 1 . . . . . 28 GLN N . 50687 1 132 . 1 . 1 29 29 PRO C C 13 176.833 0.05 . 1 . . . . . 29 PRO CO . 50687 1 133 . 1 . 1 29 29 PRO CA C 13 62.908 0.05 . 1 . . . . . 29 PRO CA . 50687 1 134 . 1 . 1 29 29 PRO CB C 13 32.236 0.05 . 1 . . . . . 29 PRO CB . 50687 1 135 . 1 . 1 29 29 PRO N N 15 137.307 0.01 . 1 . . . . . 29 PRO N . 50687 1 136 . 1 . 1 30 30 LEU H H 1 8.571 0.01 . 1 . . . . . 30 LEU HN . 50687 1 137 . 1 . 1 30 30 LEU C C 13 177.575 0.05 . 1 . . . . . 30 LEU CO . 50687 1 138 . 1 . 1 30 30 LEU CA C 13 55.103 0.05 . 1 . . . . . 30 LEU CA . 50687 1 139 . 1 . 1 30 30 LEU CB C 13 42.530 0.05 . 1 . . . . . 30 LEU CB . 50687 1 140 . 1 . 1 30 30 LEU N N 15 122.765 0.01 . 1 . . . . . 30 LEU N . 50687 1 141 . 1 . 1 31 31 GLU H H 1 8.557 0.01 . 1 . . . . . 31 GLU HN . 50687 1 142 . 1 . 1 31 31 GLU C C 13 176.260 0.05 . 1 . . . . . 31 GLU CO . 50687 1 143 . 1 . 1 31 31 GLU CA C 13 56.185 0.05 . 1 . . . . . 31 GLU CA . 50687 1 144 . 1 . 1 31 31 GLU CB C 13 30.648 0.05 . 1 . . . . . 31 GLU CB . 50687 1 145 . 1 . 1 31 31 GLU N N 15 122.305 0.01 . 1 . . . . . 31 GLU N . 50687 1 146 . 1 . 1 32 32 GLN H H 1 8.651 0.01 . 1 . . . . . 32 GLN HN . 50687 1 147 . 1 . 1 32 32 GLN C C 13 173.949 0.05 . 1 . . . . . 32 GLN CO . 50687 1 148 . 1 . 1 32 32 GLN CA C 13 53.464 0.05 . 1 . . . . . 32 GLN CA . 50687 1 149 . 1 . 1 32 32 GLN N N 15 123.235 0.01 . 1 . . . . . 32 GLN N . 50687 1 150 . 1 . 1 33 33 PRO C C 13 177.202 0.05 . 1 . . . . . 33 PRO CO . 50687 1 151 . 1 . 1 33 33 PRO CA C 13 63.058 0.05 . 1 . . . . . 33 PRO CA . 50687 1 152 . 1 . 1 33 33 PRO CB C 13 32.360 0.05 . 1 . . . . . 33 PRO CB . 50687 1 153 . 1 . 1 33 33 PRO N N 15 137.483 0.05 . 1 . . . . . 33 PRO N . 50687 1 154 . 1 . 1 34 34 THR H H 1 8.572 0.015 . 1 . . . . . 34 THR HN . 50687 1 155 . 1 . 1 34 34 THR C C 13 174.695 0.05 . 1 . . . . . 34 THR CO . 50687 1 156 . 1 . 1 34 34 THR CA C 13 61.881 0.02 . 1 . . . . . 34 THR CA . 50687 1 157 . 1 . 1 34 34 THR CB C 13 69.904 0.05 . 1 . . . . . 34 THR CB . 50687 1 158 . 1 . 1 34 34 THR N N 15 115.436 0.01 . 1 . . . . . 34 THR N . 50687 1 159 . 1 . 1 35 35 SER H H 1 8.563 0.01 . 1 . . . . . 35 SER HN . 50687 1 160 . 1 . 1 35 35 SER C C 13 174.423 0.05 . 1 . . . . . 35 SER CO . 50687 1 161 . 1 . 1 35 35 SER CA C 13 58.254 0.05 . 1 . . . . . 35 SER CA . 50687 1 162 . 1 . 1 35 35 SER CB C 13 63.942 0.05 . 1 . . . . . 35 SER CB . 50687 1 163 . 1 . 1 35 35 SER N N 15 118.343 0.01 . 1 . . . . . 35 SER N . 50687 1 164 . 1 . 1 36 36 GLU H H 1 8.633 0.01 . 1 . . . . . 36 GLU HN . 50687 1 165 . 1 . 1 36 36 GLU C C 13 176.092 0.05 . 1 . . . . . 36 GLU CO . 50687 1 166 . 1 . 1 36 36 GLU CA C 13 56.334 0.05 . 1 . . . . . 36 GLU CA . 50687 1 167 . 1 . 1 36 36 GLU CB C 13 30.392 0.05 . 1 . . . . . 36 GLU CB . 50687 1 168 . 1 . 1 36 36 GLU N N 15 123.220 0.01 . 1 . . . . . 36 GLU N . 50687 1 169 . 1 . 1 37 37 ALA H H 1 8.513 0.01 . 1 . . . . . 37 ALA HN . 50687 1 170 . 1 . 1 37 37 ALA C C 13 177.596 0.05 . 1 . . . . . 37 ALA CO . 50687 1 171 . 1 . 1 37 37 ALA CA C 13 52.385 0.05 . 1 . . . . . 37 ALA CA . 50687 1 172 . 1 . 1 37 37 ALA CB C 13 19.162 0.05 . 1 . . . . . 37 ALA CB . 50687 1 173 . 1 . 1 37 37 ALA N N 15 125.923 0.01 . 1 . . . . . 37 ALA N . 50687 1 174 . 1 . 1 38 38 VAL H H 1 8.356 0.01 . 1 . . . . . 38 VAL HN . 50687 1 175 . 1 . 1 38 38 VAL C C 13 176.240 0.05 . 1 . . . . . 38 VAL CO . 50687 1 176 . 1 . 1 38 38 VAL CA C 13 61.974 0.05 . 1 . . . . . 38 VAL CA . 50687 1 177 . 1 . 1 38 38 VAL CB C 13 33.065 0.05 . 1 . . . . . 38 VAL CB . 50687 1 178 . 1 . 1 38 38 VAL N N 15 120.556 0.01 . 1 . . . . . 38 VAL N . 50687 1 179 . 1 . 1 39 39 GLU H H 1 8.674 0.01 . 1 . . . . . 39 GLU HN . 50687 1 180 . 1 . 1 39 39 GLU C C 13 175.686 0.05 . 1 . . . . . 39 GLU CO . 50687 1 181 . 1 . 1 39 39 GLU CA C 13 56.175 0.05 . 1 . . . . . 39 GLU CA . 50687 1 182 . 1 . 1 39 39 GLU CB C 13 30.491 0.05 . 1 . . . . . 39 GLU CB . 50687 1 183 . 1 . 1 39 39 GLU N N 15 125.839 0.01 . 1 . . . . . 39 GLU N . 50687 1 184 . 1 . 1 40 40 ALA H H 1 8.597 0.01 . 1 . . . . . 40 ALA HN . 50687 1 185 . 1 . 1 40 40 ALA C C 13 175.684 0.05 . 1 . . . . . 40 ALA CO . 50687 1 186 . 1 . 1 40 40 ALA CA C 13 50.456 0.05 . 1 . . . . . 40 ALA CA . 50687 1 187 . 1 . 1 40 40 ALA N N 15 127.719 0.01 . 1 . . . . . 40 ALA N . 50687 1 188 . 1 . 1 41 41 PRO C C 13 176.832 0.05 . 1 . . . . . 41 PRO CO . 50687 1 189 . 1 . 1 41 41 PRO CA C 13 62.806 0.05 . 1 . . . . . 41 PRO CA . 50687 1 190 . 1 . 1 41 41 PRO CB C 13 32.245 0.05 . 1 . . . . . 41 PRO CB . 50687 1 191 . 1 . 1 42 42 LEU H H 1 8.575 0.01 . 1 . . . . . 42 LEU HN . 50687 1 192 . 1 . 1 42 42 LEU C C 13 177.675 0.05 . 1 . . . . . 42 LEU CO . 50687 1 193 . 1 . 1 42 42 LEU CA C 13 55.139 0.05 . 1 . . . . . 42 LEU CA . 50687 1 194 . 1 . 1 42 42 LEU CB C 13 42.239 0.05 . 1 . . . . . 42 LEU CB . 50687 1 195 . 1 . 1 42 42 LEU N N 15 123.087 0.01 . 1 . . . . . 42 LEU N . 50687 1 196 . 1 . 1 43 43 VAL H H 1 8.397 0.01 . 1 . . . . . 43 VAL HN . 50687 1 197 . 1 . 1 43 43 VAL C C 13 176.500 0.05 . 1 . . . . . 43 VAL CO . 50687 1 198 . 1 . 1 43 43 VAL CA C 13 62.445 0.05 . 1 . . . . . 43 VAL CA . 50687 1 199 . 1 . 1 43 43 VAL CB C 13 32.856 0.05 . 1 . . . . . 43 VAL CB . 50687 1 200 . 1 . 1 43 43 VAL N N 15 122.600 0.01 . 1 . . . . . 43 VAL N . 50687 1 201 . 1 . 1 44 44 GLY H H 1 8.732 0.01 . 1 . . . . . 44 GLY HN . 50687 1 202 . 1 . 1 44 44 GLY C C 13 173.599 0.05 . 1 . . . . . 44 GLY CO . 50687 1 203 . 1 . 1 44 44 GLY CA C 13 45.238 0.05 . 1 . . . . . 44 GLY CA . 50687 1 204 . 1 . 1 44 44 GLY N N 15 113.713 0.01 . 1 . . . . . 44 GLY N . 50687 1 205 . 1 . 1 45 45 THR H H 1 7.876 0.01 . 1 . . . . . 45 THR HN . 50687 1 206 . 1 . 1 45 45 THR CA C 13 63.150 0.05 . 1 . . . . . 45 THR CA . 50687 1 207 . 1 . 1 45 45 THR N N 15 118.670 0.01 . 1 . . . . . 45 THR N . 50687 1 stop_ save_