################################### # 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 51845 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'MEG 2.1 isoform 1 D' _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' . . . 51845 1 2 '2D 1H-13C HSQC' . . . 51845 1 3 '2D 1H-1H NOESY' . . . 51845 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 . . 51845 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 8.060 0.003 . . . . . . . 1 MET HN . 51845 1 2 . 1 . 1 1 1 MET HA H 1 4.262 0.001 . . . . . . . 1 MET HA . 51845 1 3 . 1 . 1 1 1 MET HB2 H 1 1.747 0.001 . . . . . . . 1 MET HB1 . 51845 1 4 . 1 . 1 1 1 MET HB3 H 1 1.863 0.002 . . . . . . . 1 MET HB2 . 51845 1 5 . 1 . 1 1 1 MET CA C 13 54.248 0.000 . . . . . . . 1 MET CA . 51845 1 6 . 1 . 1 1 1 MET CB C 13 33.725 0.002 . . . . . . . 1 MET CB . 51845 1 7 . 1 . 1 1 1 MET N N 15 122.890 0.000 . . . . . . . 1 MET N . 51845 1 8 . 1 . 1 2 2 LYS H H 1 7.966 0.002 . . . . . . . 2 LYS HN . 51845 1 9 . 1 . 1 2 2 LYS HA H 1 4.201 0.003 . . . . . . . 2 LYS HA . 51845 1 10 . 1 . 1 2 2 LYS HB2 H 1 1.580 0.001 . . . . . . . 2 LYS HB1 . 51845 1 11 . 1 . 1 2 2 LYS HB3 H 1 1.455 0.005 . . . . . . . 2 LYS HB2 . 51845 1 12 . 1 . 1 2 2 LYS HG2 H 1 1.251 0.002 . . . . . . . 2 LYS HG1 . 51845 1 13 . 1 . 1 2 2 LYS HG3 H 1 1.250 0.000 . . . . . . . 2 LYS HG2 . 51845 1 14 . 1 . 1 2 2 LYS HD2 H 1 1.468 0.002 . . . . . . . 2 LYS HD# . 51845 1 15 . 1 . 1 2 2 LYS HD3 H 1 1.468 0.002 . . . . . . . 2 LYS HD# . 51845 1 16 . 1 . 1 2 2 LYS HE2 H 1 2.694 0.000 . . . . . . . 2 LYS HE1 . 51845 1 17 . 1 . 1 2 2 LYS HE3 H 1 2.707 0.000 . . . . . . . 2 LYS HE2 . 51845 1 18 . 1 . 1 2 2 LYS CA C 13 53.897 0.000 . . . . . . . 2 LYS CA . 51845 1 19 . 1 . 1 2 2 LYS CB C 13 33.349 0.002 . . . . . . . 2 LYS CB . 51845 1 20 . 1 . 1 2 2 LYS CG C 13 24.241 0.000 . . . . . . . 2 LYS CG . 51845 1 21 . 1 . 1 2 2 LYS CD C 13 28.602 0.000 . . . . . . . 2 LYS CD . 51845 1 22 . 1 . 1 2 2 LYS CE C 13 41.045 0.000 . . . . . . . 2 LYS CE . 51845 1 23 . 1 . 1 2 2 LYS N N 15 117.885 0.000 . . . . . . . 2 LYS N . 51845 1 24 . 1 . 1 3 3 ASN H H 1 7.999 0.002 . . . . . . . 3 ASN HN . 51845 1 25 . 1 . 1 3 3 ASN HA H 1 4.867 1.107 . . . . . . . 3 ASN HA . 51845 1 26 . 1 . 1 3 3 ASN HB2 H 1 2.370 0.003 . . . . . . . 3 ASN HB1 . 51845 1 27 . 1 . 1 3 3 ASN HD21 H 1 7.369 0.001 . . . . . . . 3 ASN HD21 . 51845 1 28 . 1 . 1 3 3 ASN HD22 H 1 6.902 0.001 . . . . . . . 3 ASN HD22 . 51845 1 29 . 1 . 1 3 3 ASN CA C 13 51.883 0.000 . . . . . . . 3 ASN CA . 51845 1 30 . 1 . 1 3 3 ASN N N 15 116.919 0.000 . . . . . . . 3 ASN N . 51845 1 31 . 1 . 1 4 4 TYR H H 1 7.836 0.002 . . . . . . . 4 TYR HN . 51845 1 32 . 1 . 1 4 4 TYR HA H 1 4.313 0.001 . . . . . . . 4 TYR HA . 51845 1 33 . 1 . 1 4 4 TYR HB2 H 1 2.880 0.006 . . . . . . . 4 TYR HB1 . 51845 1 34 . 1 . 1 4 4 TYR HB3 H 1 2.680 0.001 . . . . . . . 4 TYR HB2 . 51845 1 35 . 1 . 1 4 4 TYR HD1 H 1 6.958 0.002 . . . . . . . 4 TYR HD1 . 51845 1 36 . 1 . 1 4 4 TYR HE1 H 1 6.598 0.003 . . . . . . . 4 TYR HE1 . 51845 1 37 . 1 . 1 4 4 TYR CA C 13 56.517 0.000 . . . . . . . 4 TYR CA . 51845 1 38 . 1 . 1 4 4 TYR CB C 13 38.393 0.000 . . . . . . . 4 TYR CB . 51845 1 39 . 1 . 1 4 4 TYR CD1 C 13 132.263 0.000 . . . . . . . 4 TYR CD1 . 51845 1 40 . 1 . 1 4 4 TYR CE1 C 13 117.003 0.000 . . . . . . . 4 TYR CE1 . 51845 1 41 . 1 . 1 4 4 TYR N N 15 115.881 0.000 . . . . . . . 4 TYR N . 51845 1 42 . 1 . 1 5 5 LEU H H 1 7.967 0.002 . . . . . . . 5 LEU HN . 51845 1 43 . 1 . 1 5 5 LEU HA H 1 4.218 0.004 . . . . . . . 5 LEU HA . 51845 1 44 . 1 . 1 5 5 LEU HB2 H 1 1.428 0.014 . . . . . . . 5 LEU HB1 . 51845 1 45 . 1 . 1 5 5 LEU HB3 H 1 1.476 0.007 . . . . . . . 5 LEU HB2 . 51845 1 46 . 1 . 1 5 5 LEU HG H 1 1.500 0.102 . . . . . . . 5 LEU HG . 51845 1 47 . 1 . 1 5 5 LEU HD11 H 1 0.804 0.000 . . . . . . . 5 LEU HD1 . 51845 1 48 . 1 . 1 5 5 LEU HD12 H 1 0.804 0.000 . . . . . . . 5 LEU HD1 . 51845 1 49 . 1 . 1 5 5 LEU HD13 H 1 0.804 0.000 . . . . . . . 5 LEU HD1 . 51845 1 50 . 1 . 1 5 5 LEU HD21 H 1 0.851 0.001 . . . . . . . 5 LEU HD2 . 51845 1 51 . 1 . 1 5 5 LEU HD22 H 1 0.851 0.001 . . . . . . . 5 LEU HD2 . 51845 1 52 . 1 . 1 5 5 LEU HD23 H 1 0.851 0.001 . . . . . . . 5 LEU HD2 . 51845 1 53 . 1 . 1 5 5 LEU CA C 13 53.625 0.000 . . . . . . . 5 LEU CA . 51845 1 54 . 1 . 1 5 5 LEU CB C 13 42.522 0.008 . . . . . . . 5 LEU CB . 51845 1 55 . 1 . 1 5 5 LEU CG C 13 25.240 0.999 . . . . . . . 5 LEU CG . 51845 1 56 . 1 . 1 5 5 LEU CD1 C 13 23.691 0.000 . . . . . . . 5 LEU CD1 . 51845 1 57 . 1 . 1 5 5 LEU CD2 C 13 25.215 0.000 . . . . . . . 5 LEU CD2 . 51845 1 58 . 1 . 1 5 5 LEU N N 15 117.885 0.000 . . . . . . . 5 LEU N . 51845 1 59 . 1 . 1 6 6 GLU H H 1 7.884 0.004 . . . . . . . 6 GLU HN . 51845 1 60 . 1 . 1 6 6 GLU HA H 1 4.220 0.001 . . . . . . . 6 GLU HA . 51845 1 61 . 1 . 1 6 6 GLU HB2 H 1 1.867 0.004 . . . . . . . 6 GLU HB1 . 51845 1 62 . 1 . 1 6 6 GLU HB3 H 1 1.727 0.004 . . . . . . . 6 GLU HB2 . 51845 1 63 . 1 . 1 6 6 GLU HG2 H 1 2.216 0.004 . . . . . . . 6 GLU HG1 . 51845 1 64 . 1 . 1 6 6 GLU CA C 13 54.232 0.000 . . . . . . . 6 GLU CA . 51845 1 65 . 1 . 1 6 6 GLU CB C 13 29.563 0.020 . . . . . . . 6 GLU CB . 51845 1 66 . 1 . 1 6 6 GLU CG C 13 32.218 0.000 . . . . . . . 6 GLU CG . 51845 1 67 . 1 . 1 6 6 GLU N N 15 117.184 0.000 . . . . . . . 6 GLU N . 51845 1 68 . 1 . 1 7 7 GLU H H 1 7.860 0.004 . . . . . . . 7 GLU HN . 51845 1 69 . 1 . 1 7 7 GLU HA H 1 4.283 0.002 . . . . . . . 7 GLU HA . 51845 1 70 . 1 . 1 7 7 GLU HB2 H 1 1.847 0.004 . . . . . . . 7 GLU HB1 . 51845 1 71 . 1 . 1 7 7 GLU HB3 H 1 1.705 0.004 . . . . . . . 7 GLU HB2 . 51845 1 72 . 1 . 1 7 7 GLU HG2 H 1 2.176 0.005 . . . . . . . 7 GLU HG1 . 51845 1 73 . 1 . 1 7 7 GLU CA C 13 53.684 0.000 . . . . . . . 7 GLU CA . 51845 1 74 . 1 . 1 7 7 GLU CB C 13 29.521 0.016 . . . . . . . 7 GLU CB . 51845 1 75 . 1 . 1 7 7 GLU CG C 13 32.229 0.000 . . . . . . . 7 GLU CG . 51845 1 76 . 1 . 1 7 7 GLU N N 15 117.836 0.000 . . . . . . . 7 GLU N . 51845 1 77 . 1 . 1 8 8 VAL H H 1 7.839 0.001 . . . . . . . 8 VAL HN . 51845 1 78 . 1 . 1 8 8 VAL HA H 1 4.157 0.001 . . . . . . . 8 VAL HA . 51845 1 79 . 1 . 1 8 8 VAL HB H 1 1.931 0.001 . . . . . . . 8 VAL HB . 51845 1 80 . 1 . 1 8 8 VAL HG11 H 1 0.804 0.003 . . . . . . . 8 VAL HG# . 51845 1 81 . 1 . 1 8 8 VAL HG12 H 1 0.804 0.003 . . . . . . . 8 VAL HG# . 51845 1 82 . 1 . 1 8 8 VAL HG13 H 1 0.804 0.003 . . . . . . . 8 VAL HG# . 51845 1 83 . 1 . 1 8 8 VAL HG21 H 1 0.804 0.003 . . . . . . . 8 VAL HG# . 51845 1 84 . 1 . 1 8 8 VAL HG22 H 1 0.804 0.003 . . . . . . . 8 VAL HG# . 51845 1 85 . 1 . 1 8 8 VAL HG23 H 1 0.804 0.003 . . . . . . . 8 VAL HG# . 51845 1 86 . 1 . 1 8 8 VAL CA C 13 59.736 0.000 . . . . . . . 8 VAL CA . 51845 1 87 . 1 . 1 8 8 VAL CB C 13 32.665 0.000 . . . . . . . 8 VAL CB . 51845 1 88 . 1 . 1 8 8 VAL CG1 C 13 21.317 0.000 . . . . . . . 8 VAL CG# . 51845 1 89 . 1 . 1 8 8 VAL CG2 C 13 21.317 0.000 . . . . . . . 8 VAL CG# . 51845 1 90 . 1 . 1 8 8 VAL N N 15 115.881 0.000 . . . . . . . 8 VAL N . 51845 1 91 . 1 . 1 9 9 CYS H H 1 8.147 0.002 . . . . . . . 9 CYS HN . 51845 1 92 . 1 . 1 9 9 CYS HA H 1 4.372 0.001 . . . . . . . 9 CYS HA . 51845 1 93 . 1 . 1 9 9 CYS HB2 H 1 2.738 0.001 . . . . . . . 9 CYS HB1 . 51845 1 94 . 1 . 1 9 9 CYS HB3 H 1 2.651 0.001 . . . . . . . 9 CYS HB2 . 51845 1 95 . 1 . 1 9 9 CYS HG H 1 2.289 0.005 . . . . . . . 9 CYS HG . 51845 1 96 . 1 . 1 9 9 CYS CA C 13 57.291 0.000 . . . . . . . 9 CYS CA . 51845 1 97 . 1 . 1 9 9 CYS N N 15 119.685 0.000 . . . . . . . 9 CYS N . 51845 1 98 . 1 . 1 10 10 GLU H H 1 7.996 0.002 . . . . . . . 10 GLU HN . 51845 1 99 . 1 . 1 10 10 GLU HA H 1 4.213 0.002 . . . . . . . 10 GLU HA . 51845 1 100 . 1 . 1 10 10 GLU HB2 H 1 1.831 0.004 . . . . . . . 10 GLU HB1 . 51845 1 101 . 1 . 1 10 10 GLU HB3 H 1 1.673 0.002 . . . . . . . 10 GLU HB2 . 51845 1 102 . 1 . 1 10 10 GLU HG2 H 1 2.184 0.001 . . . . . . . 10 GLU HG1 . 51845 1 103 . 1 . 1 10 10 GLU CB C 13 29.524 0.020 . . . . . . . 10 GLU CB . 51845 1 104 . 1 . 1 10 10 GLU CG C 13 32.248 0.000 . . . . . . . 10 GLU CG . 51845 1 105 . 1 . 1 10 10 GLU N N 15 118.837 0.000 . . . . . . . 10 GLU N . 51845 1 106 . 1 . 1 11 11 ASN H H 1 8.022 0.003 . . . . . . . 11 ASN HN . 51845 1 107 . 1 . 1 11 11 ASN HA H 1 4.748 0.945 . . . . . . . 11 ASN HA . 51845 1 108 . 1 . 1 11 11 ASN HB2 H 1 2.325 0.007 . . . . . . . 11 ASN HB1 . 51845 1 109 . 1 . 1 11 11 ASN HB3 H 1 2.314 0.004 . . . . . . . 11 ASN HB2 . 51845 1 110 . 1 . 1 11 11 ASN HD21 H 1 7.329 0.001 . . . . . . . 11 ASN HD21 . 51845 1 111 . 1 . 1 11 11 ASN HD22 H 1 6.898 0.000 . . . . . . . 11 ASN HD22 . 51845 1 112 . 1 . 1 11 11 ASN CA C 13 51.753 0.000 . . . . . . . 11 ASN CA . 51845 1 113 . 1 . 1 11 11 ASN N N 15 117.331 0.000 . . . . . . . 11 ASN N . 51845 1 114 . 1 . 1 12 12 PHE H H 1 7.945 0.007 . . . . . . . 12 PHE HN . 51845 1 115 . 1 . 1 12 12 PHE HA H 1 4.474 0.003 . . . . . . . 12 PHE HA . 51845 1 116 . 1 . 1 12 12 PHE HB2 H 1 2.976 0.006 . . . . . . . 12 PHE HB1 . 51845 1 117 . 1 . 1 12 12 PHE HB3 H 1 2.753 0.001 . . . . . . . 12 PHE HB2 . 51845 1 118 . 1 . 1 12 12 PHE HD1 H 1 7.158 0.002 . . . . . . . 12 PHE HD1 . 51845 1 119 . 1 . 1 12 12 PHE HE1 H 1 7.164 0.000 . . . . . . . 12 PHE HE1 . 51845 1 120 . 1 . 1 12 12 PHE HZ H 1 7.116 0.000 . . . . . . . 12 PHE HZ . 51845 1 121 . 1 . 1 12 12 PHE CA C 13 55.899 0.000 . . . . . . . 12 PHE CA . 51845 1 122 . 1 . 1 12 12 PHE CB C 13 39.206 0.006 . . . . . . . 12 PHE CB . 51845 1 123 . 1 . 1 12 12 PHE CD1 C 13 131.260 0.000 . . . . . . . 12 PHE CD1 . 51845 1 124 . 1 . 1 12 12 PHE CE1 C 13 130.134 0.000 . . . . . . . 12 PHE CE1 . 51845 1 125 . 1 . 1 12 12 PHE CZ C 13 128.285 0.000 . . . . . . . 12 PHE CZ . 51845 1 126 . 1 . 1 12 12 PHE N N 15 116.863 0.000 . . . . . . . 12 PHE N . 51845 1 127 . 1 . 1 13 13 ILE H H 1 7.834 0.003 . . . . . . . 13 ILE HN . 51845 1 128 . 1 . 1 13 13 ILE HA H 1 4.131 0.146 . . . . . . . 13 ILE HA . 51845 1 129 . 1 . 1 13 13 ILE HB H 1 1.664 0.003 . . . . . . . 13 ILE HB . 51845 1 130 . 1 . 1 13 13 ILE HG12 H 1 1.314 0.001 . . . . . . . 13 ILE HG11 . 51845 1 131 . 1 . 1 13 13 ILE HG13 H 1 0.986 0.002 . . . . . . . 13 ILE HG12 . 51845 1 132 . 1 . 1 13 13 ILE HG21 H 1 0.745 0.001 . . . . . . . 13 ILE HG2# . 51845 1 133 . 1 . 1 13 13 ILE HG22 H 1 0.745 0.001 . . . . . . . 13 ILE HG2# . 51845 1 134 . 1 . 1 13 13 ILE HG23 H 1 0.745 0.001 . . . . . . . 13 ILE HG2# . 51845 1 135 . 1 . 1 13 13 ILE HD11 H 1 0.704 0.001 . . . . . . . 13 ILE HD1# . 51845 1 136 . 1 . 1 13 13 ILE HD12 H 1 0.704 0.001 . . . . . . . 13 ILE HD1# . 51845 1 137 . 1 . 1 13 13 ILE HD13 H 1 0.704 0.001 . . . . . . . 13 ILE HD1# . 51845 1 138 . 1 . 1 13 13 ILE CA C 13 59.334 0.000 . . . . . . . 13 ILE CA . 51845 1 139 . 1 . 1 13 13 ILE CB C 13 38.572 0.000 . . . . . . . 13 ILE CB . 51845 1 140 . 1 . 1 13 13 ILE CG1 C 13 26.279 0.020 . . . . . . . 13 ILE CG1 . 51845 1 141 . 1 . 1 13 13 ILE CG2 C 13 13.133 0.000 . . . . . . . 13 ILE CG2 . 51845 1 142 . 1 . 1 13 13 ILE CD1 C 13 17.388 0.000 . . . . . . . 13 ILE CD1 . 51845 1 143 . 1 . 1 13 13 ILE N N 15 116.665 0.000 . . . . . . . 13 ILE N . 51845 1 144 . 1 . 1 14 14 TYR H H 1 7.860 0.002 . . . . . . . 14 TYR HN . 51845 1 145 . 1 . 1 14 14 TYR HA H 1 4.530 0.001 . . . . . . . 14 TYR HA . 51845 1 146 . 1 . 1 14 14 TYR HB2 H 1 2.819 0.005 . . . . . . . 14 TYR HB1 . 51845 1 147 . 1 . 1 14 14 TYR HB3 H 1 2.681 0.002 . . . . . . . 14 TYR HB2 . 51845 1 148 . 1 . 1 14 14 TYR HD1 H 1 6.951 0.003 . . . . . . . 14 TYR HD1 . 51845 1 149 . 1 . 1 14 14 TYR HE1 H 1 6.582 0.004 . . . . . . . 14 TYR HE1 . 51845 1 150 . 1 . 1 14 14 TYR CA C 13 55.903 0.000 . . . . . . . 14 TYR CA . 51845 1 151 . 1 . 1 14 14 TYR CB C 13 38.753 0.085 . . . . . . . 14 TYR CB . 51845 1 152 . 1 . 1 14 14 TYR CD1 C 13 132.263 0.000 . . . . . . . 14 TYR CD1 . 51845 1 153 . 1 . 1 14 14 TYR CE1 C 13 117.003 0.000 . . . . . . . 14 TYR CE1 . 51845 1 154 . 1 . 1 14 14 TYR N N 15 119.889 0.000 . . . . . . . 14 TYR N . 51845 1 155 . 1 . 1 15 15 THR H H 1 7.941 0.002 . . . . . . . 15 THR HN . 51845 1 156 . 1 . 1 15 15 THR HA H 1 4.422 0.001 . . . . . . . 15 THR HA . 51845 1 157 . 1 . 1 15 15 THR HB H 1 4.005 0.263 . . . . . . . 15 THR HB . 51845 1 158 . 1 . 1 15 15 THR HG21 H 1 1.045 0.000 . . . . . . . 15 THR HG2# . 51845 1 159 . 1 . 1 15 15 THR HG22 H 1 1.045 0.000 . . . . . . . 15 THR HG2# . 51845 1 160 . 1 . 1 15 15 THR HG23 H 1 1.045 0.000 . . . . . . . 15 THR HG2# . 51845 1 161 . 1 . 1 15 15 THR CA C 13 58.001 0.000 . . . . . . . 15 THR CA . 51845 1 162 . 1 . 1 15 15 THR CB C 13 69.053 0.000 . . . . . . . 15 THR CB . 51845 1 163 . 1 . 1 15 15 THR CG2 C 13 21.097 0.000 . . . . . . . 15 THR CG2 . 51845 1 164 . 1 . 1 15 15 THR N N 15 115.619 0.000 . . . . . . . 15 THR N . 51845 1 165 . 1 . 1 16 16 PRO HA H 1 4.198 0.001 . . . . . . . 16 PRO HA . 51845 1 166 . 1 . 1 16 16 PRO HB2 H 1 1.985 0.001 . . . . . . . 16 PRO HB# . 51845 1 167 . 1 . 1 16 16 PRO HB3 H 1 1.985 0.001 . . . . . . . 16 PRO HB# . 51845 1 168 . 1 . 1 16 16 PRO HG2 H 1 1.788 0.011 . . . . . . . 16 PRO HG1 . 51845 1 169 . 1 . 1 16 16 PRO HG3 H 1 1.743 0.008 . . . . . . . 16 PRO HG2 . 51845 1 170 . 1 . 1 16 16 PRO HD2 H 1 3.561 0.002 . . . . . . . 16 PRO HD1 . 51845 1 171 . 1 . 1 16 16 PRO HD3 H 1 3.517 0.001 . . . . . . . 16 PRO HD2 . 51845 1 172 . 1 . 1 16 16 PRO CA C 13 61.459 0.000 . . . . . . . 16 PRO CA . 51845 1 173 . 1 . 1 16 16 PRO CB C 13 31.440 0.000 . . . . . . . 16 PRO CB . 51845 1 174 . 1 . 1 16 16 PRO CG C 13 26.549 0.051 . . . . . . . 16 PRO CG . 51845 1 175 . 1 . 1 16 16 PRO CD C 13 49.224 0.005 . . . . . . . 16 PRO CD . 51845 1 stop_ save_