################################### # 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 15889 _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 '1H and 15N chemical shift assignments were transferred from the free UHM domain of Puf60 by titration.' _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' . . . 15889 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 3 $NMRView . . 15889 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 11 11 GLU H H 1 8.216 0.0018 . 1 . . . . 4 GLU HN . 15889 1 2 . 1 1 11 11 GLU N N 15 121.258 0.013 . 1 . . . . 4 GLU N . 15889 1 3 . 1 1 12 12 SER H H 1 8.200 0.0018 . 1 . . . . 5 SER HN . 15889 1 4 . 1 1 12 12 SER N N 15 116.342 0.013 . 1 . . . . 5 SER N . 15889 1 5 . 1 1 13 13 THR H H 1 8.398 0.0018 . 1 . . . . 6 THR HN . 15889 1 6 . 1 1 13 13 THR N N 15 113.787 0.013 . 1 . . . . 6 THR N . 15889 1 7 . 1 1 14 14 VAL H H 1 8.898 0.0018 . 1 . . . . 7 VAL HN . 15889 1 8 . 1 1 14 14 VAL N N 15 125.747 0.013 . 1 . . . . 7 VAL N . 15889 1 9 . 1 1 15 15 MET H H 1 9.076 0.0018 . 1 . . . . 8 MET HN . 15889 1 10 . 1 1 15 15 MET N N 15 127.761 0.013 . 1 . . . . 8 MET N . 15889 1 11 . 1 1 16 16 VAL H H 1 9.354 0.0018 . 1 . . . . 9 VAL HN . 15889 1 12 . 1 1 16 16 VAL N N 15 124.447 0.013 . 1 . . . . 9 VAL N . 15889 1 13 . 1 1 17 17 LEU H H 1 9.098 0.0018 . 1 . . . . 10 LEU HN . 15889 1 14 . 1 1 17 17 LEU N N 15 126.286 0.013 . 1 . . . . 10 LEU N . 15889 1 15 . 1 1 18 18 ARG H H 1 9.635 0.0018 . 1 . . . . 11 ARG HN . 15889 1 16 . 1 1 18 18 ARG N N 15 124.066 0.013 . 1 . . . . 11 ARG N . 15889 1 17 . 1 1 19 19 ASN H H 1 8.838 0.0018 . 1 . . . . 12 ASN HN . 15889 1 18 . 1 1 19 19 ASN N N 15 116.548 0.013 . 1 . . . . 12 ASN N . 15889 1 19 . 1 1 20 20 MET H H 1 8.503 0.0018 . 1 . . . . 13 MET HN . 15889 1 20 . 1 1 20 20 MET N N 15 115.675 0.013 . 1 . . . . 13 MET N . 15889 1 21 . 1 1 21 21 VAL H H 1 6.607 0.0018 . 1 . . . . 14 VAL HN . 15889 1 22 . 1 1 21 21 VAL N N 15 134.467 0.013 . 1 . . . . 14 VAL N . 15889 1 23 . 1 1 22 22 ASP H H 1 8.848 0.0018 . 1 . . . . 15 ASP HN . 15889 1 24 . 1 1 22 22 ASP N N 15 124.209 0.013 . 1 . . . . 15 ASP N . 15889 1 25 . 1 1 24 24 LYS H H 1 8.669 0.0018 . 1 . . . . 17 LYS HN . 15889 1 26 . 1 1 24 24 LYS N N 15 115.628 0.013 . 1 . . . . 17 LYS N . 15889 1 27 . 1 1 25 25 ASP H H 1 8.004 0.0018 . 1 . . . . 18 ASP HN . 15889 1 28 . 1 1 25 25 ASP N N 15 118.498 0.013 . 1 . . . . 18 ASP N . 15889 1 29 . 1 1 26 26 ILE H H 1 7.099 0.0018 . 1 . . . . 19 ILE HN . 15889 1 30 . 1 1 26 26 ILE N N 15 118.451 0.013 . 1 . . . . 19 ILE N . 15889 1 31 . 1 1 27 27 ASP H H 1 7.275 0.0018 . 1 . . . . 20 ASP HN . 15889 1 32 . 1 1 27 27 ASP N N 15 126.952 0.013 . 1 . . . . 20 ASP N . 15889 1 33 . 1 1 28 28 ASP H H 1 8.543 0.0018 . 1 . . . . 21 ASP HN . 15889 1 34 . 1 1 28 28 ASP N N 15 117.594 0.013 . 1 . . . . 21 ASP N . 15889 1 35 . 1 1 30 30 LEU H H 1 7.477 0.0018 . 1 . . . . 23 LEU HN . 15889 1 36 . 1 1 30 30 LEU N N 15 122.639 0.013 . 1 . . . . 23 LEU N . 15889 1 37 . 1 1 31 31 GLU H H 1 9.121 0.0018 . 1 . . . . 24 GLU HN . 15889 1 38 . 1 1 31 31 GLU N N 15 118.720 0.013 . 1 . . . . 24 GLU N . 15889 1 39 . 1 1 32 32 GLY H H 1 8.805 0.0018 . 1 . . . . 25 GLY HN . 15889 1 40 . 1 1 32 32 GLY N N 15 110.377 0.013 . 1 . . . . 25 GLY N . 15889 1 41 . 1 1 33 33 GLU H H 1 8.245 0.0018 . 1 . . . . 26 GLU HN . 15889 1 42 . 1 1 33 33 GLU N N 15 123.002 0.013 . 1 . . . . 26 GLU N . 15889 1 43 . 1 1 34 34 VAL H H 1 8.452 0.0018 . 1 . . . . 27 VAL HN . 15889 1 44 . 1 1 34 34 VAL N N 15 120.671 0.013 . 1 . . . . 27 VAL N . 15889 1 45 . 1 1 36 36 GLU H H 1 8.154 0.0018 . 1 . . . . 29 GLU HN . 15889 1 46 . 1 1 36 36 GLU N N 15 122.098 0.013 . 1 . . . . 29 GLU N . 15889 1 47 . 1 1 38 38 CYS H H 1 8.324 0.0018 . 1 . . . . 31 CYS HN . 15889 1 48 . 1 1 38 38 CYS N N 15 113.565 0.013 . 1 . . . . 31 CYS N . 15889 1 49 . 1 1 39 39 GLY H H 1 8.189 0.0018 . 1 . . . . 32 GLY HN . 15889 1 50 . 1 1 39 39 GLY N N 15 106.110 0.013 . 1 . . . . 32 GLY N . 15889 1 51 . 1 1 40 40 LYS H H 1 7.019 0.0018 . 1 . . . . 33 LYS HN . 15889 1 52 . 1 1 40 40 LYS N N 15 117.864 0.013 . 1 . . . . 33 LYS N . 15889 1 53 . 1 1 41 41 PHE H H 1 7.620 0.0018 . 1 . . . . 34 PHE HN . 15889 1 54 . 1 1 41 41 PHE N N 15 116.023 0.013 . 1 . . . . 34 PHE N . 15889 1 55 . 1 1 42 42 GLY H H 1 7.361 0.0018 . 1 . . . . 35 GLY HN . 15889 1 56 . 1 1 42 42 GLY N N 15 104.272 0.013 . 1 . . . . 35 GLY N . 15889 1 57 . 1 1 43 43 ALA H H 1 8.212 0.0018 . 1 . . . . 36 ALA HN . 15889 1 58 . 1 1 43 43 ALA N N 15 121.686 0.013 . 1 . . . . 36 ALA N . 15889 1 59 . 1 1 44 44 VAL H H 1 8.396 0.0018 . 1 . . . . 37 VAL HN . 15889 1 60 . 1 1 44 44 VAL N N 15 124.827 0.013 . 1 . . . . 37 VAL N . 15889 1 61 . 1 1 45 45 ASN H H 1 9.348 0.0018 . 1 . . . . 38 ASN HN . 15889 1 62 . 1 1 45 45 ASN N N 15 128.188 0.013 . 1 . . . . 38 ASN N . 15889 1 63 . 1 1 46 46 ARG H H 1 7.370 0.0018 . 1 . . . . 39 ARG HN . 15889 1 64 . 1 1 46 46 ARG N N 15 115.087 0.013 . 1 . . . . 39 ARG N . 15889 1 65 . 1 1 47 47 VAL H H 1 8.305 0.0018 . 1 . . . . 40 VAL HN . 15889 1 66 . 1 1 47 47 VAL N N 15 122.479 0.013 . 1 . . . . 40 VAL N . 15889 1 67 . 1 1 48 48 ILE H H 1 9.259 0.0018 . 1 . . . . 41 ILE HN . 15889 1 68 . 1 1 48 48 ILE N N 15 126.159 0.013 . 1 . . . . 41 ILE N . 15889 1 69 . 1 1 49 49 ILE H H 1 9.100 0.0018 . 1 . . . . 42 ILE HN . 15889 1 70 . 1 1 49 49 ILE N N 15 129.078 0.013 . 1 . . . . 42 ILE N . 15889 1 71 . 1 1 50 50 TYR H H 1 9.254 0.0018 . 1 . . . . 43 TYR HN . 15889 1 72 . 1 1 50 50 TYR N N 15 131.671 0.013 . 1 . . . . 43 TYR N . 15889 1 73 . 1 1 51 51 GLN H H 1 8.029 0.0018 . 1 . . . . 44 GLN HN . 15889 1 74 . 1 1 51 51 GLN N N 15 126.128 0.013 . 1 . . . . 44 GLN N . 15889 1 75 . 1 1 52 52 GLU H H 1 8.660 0.0018 . 1 . . . . 45 GLU HN . 15889 1 76 . 1 1 52 52 GLU N N 15 122.845 0.013 . 1 . . . . 45 GLU N . 15889 1 77 . 1 1 53 53 LYS H H 1 8.888 0.0018 . 1 . . . . 46 LYS HN . 15889 1 78 . 1 1 53 53 LYS N N 15 130.521 0.013 . 1 . . . . 46 LYS N . 15889 1 79 . 1 1 54 54 GLN H H 1 9.059 0.0018 . 1 . . . . 47 GLN HN . 15889 1 80 . 1 1 54 54 GLN N N 15 124.209 0.013 . 1 . . . . 47 GLN N . 15889 1 81 . 1 1 55 55 GLY H H 1 7.646 0.0018 . 1 . . . . 48 GLY HN . 15889 1 82 . 1 1 55 55 GLY N N 15 108.786 0.013 . 1 . . . . 48 GLY N . 15889 1 83 . 1 1 56 56 GLU H H 1 8.444 0.0018 . 1 . . . . 49 GLU HN . 15889 1 84 . 1 1 56 56 GLU N N 15 116.881 0.013 . 1 . . . . 49 GLU N . 15889 1 85 . 1 1 57 57 GLU H H 1 8.730 0.0018 . 1 . . . . 50 GLU HN . 15889 1 86 . 1 1 57 57 GLU N N 15 120.177 0.013 . 1 . . . . 50 GLU N . 15889 1 87 . 1 1 58 58 GLU H H 1 8.921 0.0018 . 1 . . . . 51 GLU HN . 15889 1 88 . 1 1 58 58 GLU N N 15 122.236 0.013 . 1 . . . . 51 GLU N . 15889 1 89 . 1 1 59 59 ASP H H 1 8.251 0.0018 . 1 . . . . 52 ASP HN . 15889 1 90 . 1 1 59 59 ASP N N 15 116.369 0.013 . 1 . . . . 52 ASP N . 15889 1 91 . 1 1 60 60 ALA H H 1 7.134 0.0018 . 1 . . . . 53 ALA HN . 15889 1 92 . 1 1 60 60 ALA N N 15 122.115 0.013 . 1 . . . . 53 ALA N . 15889 1 93 . 1 1 61 61 GLU H H 1 8.510 0.0018 . 1 . . . . 54 GLU HN . 15889 1 94 . 1 1 61 61 GLU N N 15 121.385 0.013 . 1 . . . . 54 GLU N . 15889 1 95 . 1 1 62 62 ILE H H 1 8.252 0.0018 . 1 . . . . 55 ILE HN . 15889 1 96 . 1 1 62 62 ILE N N 15 123.224 0.013 . 1 . . . . 55 ILE N . 15889 1 97 . 1 1 63 63 ILE H H 1 8.473 0.0018 . 1 . . . . 56 ILE HN . 15889 1 98 . 1 1 63 63 ILE N N 15 123.733 0.013 . 1 . . . . 56 ILE N . 15889 1 99 . 1 1 64 64 VAL H H 1 8.663 0.0018 . 1 . . . . 57 VAL HN . 15889 1 100 . 1 1 64 64 VAL N N 15 122.845 0.013 . 1 . . . . 57 VAL N . 15889 1 101 . 1 1 65 65 LYS H H 1 9.597 0.0018 . 1 . . . . 58 LYS HN . 15889 1 102 . 1 1 65 65 LYS N N 15 130.278 0.013 . 1 . . . . 58 LYS N . 15889 1 103 . 1 1 66 66 ILE H H 1 7.981 0.0018 . 1 . . . . 59 ILE HN . 15889 1 104 . 1 1 66 66 ILE N N 15 121.321 0.013 . 1 . . . . 59 ILE N . 15889 1 105 . 1 1 67 67 PHE H H 1 9.524 0.0018 . 1 . . . . 60 PHE HN . 15889 1 106 . 1 1 67 67 PHE N N 15 126.318 0.013 . 1 . . . . 60 PHE N . 15889 1 107 . 1 1 68 68 VAL H H 1 9.194 0.0018 . 1 . . . . 61 VAL HN . 15889 1 108 . 1 1 68 68 VAL N N 15 122.090 0.013 . 1 . . . . 61 VAL N . 15889 1 109 . 1 1 69 69 GLU H H 1 8.619 0.0018 . 1 . . . . 62 GLU HN . 15889 1 110 . 1 1 69 69 GLU N N 15 127.952 0.013 . 1 . . . . 62 GLU N . 15889 1 111 . 1 1 70 70 PHE H H 1 8.784 0.0018 . 1 . . . . 63 PHE HN . 15889 1 112 . 1 1 70 70 PHE N N 15 127.397 0.013 . 1 . . . . 63 PHE N . 15889 1 113 . 1 1 71 71 SER H H 1 8.598 0.0018 . 1 . . . . 64 SER HN . 15889 1 114 . 1 1 71 71 SER N N 15 115.802 0.013 . 1 . . . . 64 SER N . 15889 1 115 . 1 1 72 72 ILE H H 1 7.812 0.0018 . 1 . . . . 65 ILE HN . 15889 1 116 . 1 1 72 72 ILE N N 15 116.134 0.013 . 1 . . . . 65 ILE N . 15889 1 117 . 1 1 73 73 ALA H H 1 8.828 0.0018 . 1 . . . . 66 ALA HN . 15889 1 118 . 1 1 73 73 ALA N N 15 126.873 0.013 . 1 . . . . 66 ALA N . 15889 1 119 . 1 1 74 74 SER H H 1 8.074 0.0018 . 1 . . . . 67 SER HN . 15889 1 120 . 1 1 74 74 SER N N 15 111.281 0.013 . 1 . . . . 67 SER N . 15889 1 121 . 1 1 75 75 GLU H H 1 7.275 0.0018 . 1 . . . . 68 GLU HN . 15889 1 122 . 1 1 75 75 GLU N N 15 123.987 0.013 . 1 . . . . 68 GLU N . 15889 1 123 . 1 1 76 76 THR H H 1 7.052 0.0018 . 1 . . . . 69 THR HN . 15889 1 124 . 1 1 76 76 THR N N 15 115.024 0.013 . 1 . . . . 69 THR N . 15889 1 125 . 1 1 77 77 HIS H H 1 7.729 0.0018 . 1 . . . . 70 HIS HN . 15889 1 126 . 1 1 77 77 HIS N N 15 116.435 0.013 . 1 . . . . 70 HIS N . 15889 1 127 . 1 1 78 78 LYS H H 1 7.430 0.0018 . 1 . . . . 71 LYS HN . 15889 1 128 . 1 1 78 78 LYS N N 15 120.290 0.013 . 1 . . . . 71 LYS N . 15889 1 129 . 1 1 79 79 ALA H H 1 7.929 0.0018 . 1 . . . . 72 ALA HN . 15889 1 130 . 1 1 79 79 ALA N N 15 122.527 0.013 . 1 . . . . 72 ALA N . 15889 1 131 . 1 1 80 80 ILE H H 1 8.101 0.0018 . 1 . . . . 73 ILE HN . 15889 1 132 . 1 1 80 80 ILE N N 15 118.133 0.013 . 1 . . . . 73 ILE N . 15889 1 133 . 1 1 81 81 GLN H H 1 7.345 0.0018 . 1 . . . . 74 GLN HN . 15889 1 134 . 1 1 81 81 GLN N N 15 115.706 0.013 . 1 . . . . 74 GLN N . 15889 1 135 . 1 1 82 82 ALA H H 1 7.105 0.0018 . 1 . . . . 75 ALA HN . 15889 1 136 . 1 1 82 82 ALA N N 15 118.625 0.013 . 1 . . . . 75 ALA N . 15889 1 137 . 1 1 83 83 LEU H H 1 8.072 0.0018 . 1 . . . . 76 LEU HN . 15889 1 138 . 1 1 83 83 LEU N N 15 116.087 0.013 . 1 . . . . 76 LEU N . 15889 1 139 . 1 1 84 84 ASN H H 1 8.192 0.0018 . 1 . . . . 77 ASN HN . 15889 1 140 . 1 1 84 84 ASN N N 15 116.102 0.013 . 1 . . . . 77 ASN N . 15889 1 141 . 1 1 85 85 GLY H H 1 8.910 0.0018 . 1 . . . . 78 GLY HN . 15889 1 142 . 1 1 85 85 GLY N N 15 117.372 0.013 . 1 . . . . 78 GLY N . 15889 1 143 . 1 1 86 86 ARG H H 1 7.702 0.0018 . 1 . . . . 79 ARG HN . 15889 1 144 . 1 1 86 86 ARG N N 15 121.987 0.013 . 1 . . . . 79 ARG N . 15889 1 145 . 1 1 88 88 PHE H H 1 9.881 0.0018 . 1 . . . . 81 PHE HN . 15889 1 146 . 1 1 88 88 PHE N N 15 123.099 0.013 . 1 . . . . 81 PHE N . 15889 1 147 . 1 1 90 90 GLY H H 1 8.640 0.0018 . 1 . . . . 83 GLY HN . 15889 1 148 . 1 1 90 90 GLY N N 15 103.457 0.013 . 1 . . . . 83 GLY N . 15889 1 149 . 1 1 91 91 ARG H H 1 8.239 0.0018 . 1 . . . . 84 ARG HN . 15889 1 150 . 1 1 91 91 ARG N N 15 121.147 0.013 . 1 . . . . 84 ARG N . 15889 1 151 . 1 1 92 92 LYS H H 1 8.227 0.0018 . 1 . . . . 85 LYS HN . 15889 1 152 . 1 1 92 92 LYS N N 15 122.907 0.013 . 1 . . . . 85 LYS N . 15889 1 153 . 1 1 93 93 VAL H H 1 8.840 0.0018 . 1 . . . . 86 VAL HN . 15889 1 154 . 1 1 93 93 VAL N N 15 128.554 0.013 . 1 . . . . 86 VAL N . 15889 1 155 . 1 1 94 94 VAL H H 1 8.031 0.0018 . 1 . . . . 87 VAL HN . 15889 1 156 . 1 1 94 94 VAL N N 15 128.205 0.013 . 1 . . . . 87 VAL N . 15889 1 157 . 1 1 95 95 ALA H H 1 8.642 0.0018 . 1 . . . . 88 ALA HN . 15889 1 158 . 1 1 95 95 ALA N N 15 130.917 0.013 . 1 . . . . 88 ALA N . 15889 1 159 . 1 1 96 96 GLU H H 1 8.646 0.0018 . 1 . . . . 89 GLU HN . 15889 1 160 . 1 1 96 96 GLU N N 15 118.007 0.013 . 1 . . . . 89 GLU N . 15889 1 161 . 1 1 97 97 VAL H H 1 8.394 0.0018 . 1 . . . . 90 VAL HN . 15889 1 162 . 1 1 97 97 VAL N N 15 121.004 0.013 . 1 . . . . 90 VAL N . 15889 1 163 . 1 1 98 98 TYR H H 1 8.693 0.0018 . 1 . . . . 91 TYR HN . 15889 1 164 . 1 1 98 98 TYR N N 15 129.395 0.013 . 1 . . . . 91 TYR N . 15889 1 165 . 1 1 99 99 ASP H H 1 7.479 0.0018 . 1 . . . . 92 ASP HN . 15889 1 166 . 1 1 99 99 ASP N N 15 127.270 0.013 . 1 . . . . 92 ASP N . 15889 1 167 . 1 1 100 100 GLN H H 1 8.648 0.0018 . 1 . . . . 93 GLN HN . 15889 1 168 . 1 1 100 100 GLN N N 15 129.157 0.013 . 1 . . . . 93 GLN N . 15889 1 169 . 1 1 102 102 ARG H H 1 8.070 0.0018 . 1 . . . . 95 ARG HN . 15889 1 170 . 1 1 102 102 ARG N N 15 118.768 0.013 . 1 . . . . 95 ARG N . 15889 1 171 . 1 1 103 103 PHE H H 1 8.287 0.0018 . 1 . . . . 96 PHE HN . 15889 1 172 . 1 1 103 103 PHE N N 15 120.306 0.013 . 1 . . . . 96 PHE N . 15889 1 173 . 1 1 104 104 ASP H H 1 9.290 0.0018 . 1 . . . . 97 ASP HN . 15889 1 174 . 1 1 104 104 ASP N N 15 122.559 0.013 . 1 . . . . 97 ASP N . 15889 1 175 . 1 1 105 105 ASN H H 1 7.522 0.0018 . 1 . . . . 98 ASN HN . 15889 1 176 . 1 1 105 105 ASN N N 15 117.721 0.013 . 1 . . . . 98 ASN N . 15889 1 177 . 1 1 106 106 SER H H 1 7.987 0.0018 . 1 . . . . 99 SER HN . 15889 1 178 . 1 1 106 106 SER N N 15 112.344 0.013 . 1 . . . . 99 SER N . 15889 1 179 . 1 1 107 107 ASP H H 1 8.287 0.0018 . 1 . . . . 100 ASP HN . 15889 1 180 . 1 1 107 107 ASP N N 15 117.071 0.013 . 1 . . . . 100 ASP N . 15889 1 181 . 1 1 108 108 LEU H H 1 8.291 0.0018 . 1 . . . . 101 LEU HN . 15889 1 182 . 1 1 108 108 LEU N N 15 128.047 0.013 . 1 . . . . 101 LEU N . 15889 1 183 . 1 1 109 109 SER H H 1 7.872 0.0018 . 1 . . . . 102 SER HN . 15889 1 184 . 1 1 109 109 SER N N 15 113.375 0.013 . 1 . . . . 102 SER N . 15889 1 185 . 1 1 110 110 ALA H H 1 7.985 0.0018 . 1 . . . . 103 ALA HN . 15889 1 186 . 1 1 110 110 ALA N N 15 131.631 0.013 . 1 . . . . 103 ALA N . 15889 1 stop_ save_