################################### # 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 27984 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 0.03 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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' . . . 27984 1 3 '3D HNCACB' . . . 27984 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 $TOPSPIN . . 27984 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 2 2 THR H H 1 8.327 0.03 . 1 . . . . . 2 THR HN . 27984 1 2 . 1 . 1 2 2 THR CA C 13 62.020 0.1 . 1 . . . . . 2 THR CA . 27984 1 3 . 1 . 1 2 2 THR CB C 13 69.757 0.1 . 1 . . . . . 2 THR CB . 27984 1 4 . 1 . 1 2 2 THR N N 15 115.504 0.1 . 1 . . . . . 2 THR N . 27984 1 5 . 1 . 1 3 3 LEU H H 1 8.166 0.03 . 1 . . . . . 3 LEU HN . 27984 1 6 . 1 . 1 3 3 LEU CA C 13 55.246 0.1 . 1 . . . . . 3 LEU CA . 27984 1 7 . 1 . 1 3 3 LEU CB C 13 42.907 0.1 . 1 . . . . . 3 LEU CB . 27984 1 8 . 1 . 1 3 3 LEU N N 15 125.419 0.1 . 1 . . . . . 3 LEU N . 27984 1 9 . 1 . 1 4 4 ASP H H 1 8.460 0.03 . 1 . . . . . 4 ASP HN . 27984 1 10 . 1 . 1 4 4 ASP CA C 13 52.763 0.1 . 1 . . . . . 4 ASP CA . 27984 1 11 . 1 . 1 4 4 ASP CB C 13 40.419 0.1 . 1 . . . . . 4 ASP CB . 27984 1 12 . 1 . 1 4 4 ASP N N 15 124.320 0.1 . 1 . . . . . 4 ASP N . 27984 1 13 . 1 . 1 5 5 MET H H 1 8.173 0.03 . 1 . . . . . 5 MET HN . 27984 1 14 . 1 . 1 5 5 MET CA C 13 59.212 0.1 . 1 . . . . . 5 MET CA . 27984 1 15 . 1 . 1 5 5 MET CB C 13 32.510 0.1 . 1 . . . . . 5 MET CB . 27984 1 16 . 1 . 1 5 5 MET N N 15 122.867 0.1 . 1 . . . . . 5 MET N . 27984 1 17 . 1 . 1 6 6 ASP H H 1 8.019 0.03 . 1 . . . . . 6 ASP HN . 27984 1 18 . 1 . 1 6 6 ASP CA C 13 57.695 0.1 . 1 . . . . . 6 ASP CA . 27984 1 19 . 1 . 1 6 6 ASP CB C 13 40.403 0.1 . 1 . . . . . 6 ASP CB . 27984 1 20 . 1 . 1 6 6 ASP N N 15 118.053 0.1 . 1 . . . . . 6 ASP N . 27984 1 21 . 1 . 1 7 7 ALA H H 1 7.738 0.03 . 1 . . . . . 7 ALA HN . 27984 1 22 . 1 . 1 7 7 ALA CA C 13 54.884 0.1 . 1 . . . . . 7 ALA CA . 27984 1 23 . 1 . 1 7 7 ALA CB C 13 18.374 0.1 . 1 . . . . . 7 ALA CB . 27984 1 24 . 1 . 1 7 7 ALA N N 15 124.459 0.1 . 1 . . . . . 7 ALA N . 27984 1 25 . 1 . 1 8 8 VAL H H 1 8.087 0.03 . 1 . . . . . 8 VAL HN . 27984 1 26 . 1 . 1 8 8 VAL CA C 13 66.516 0.1 . 1 . . . . . 8 VAL CA . 27984 1 27 . 1 . 1 8 8 VAL CB C 13 32.090 0.1 . 1 . . . . . 8 VAL CB . 27984 1 28 . 1 . 1 8 8 VAL N N 15 119.653 0.1 . 1 . . . . . 8 VAL N . 27984 1 29 . 1 . 1 9 9 LEU H H 1 8.611 0.03 . 1 . . . . . 9 LEU HN . 27984 1 30 . 1 . 1 9 9 LEU CA C 13 58.743 0.1 . 1 . . . . . 9 LEU CA . 27984 1 31 . 1 . 1 9 9 LEU CB C 13 42.195 0.1 . 1 . . . . . 9 LEU CB . 27984 1 32 . 1 . 1 9 9 LEU N N 15 121.277 0.1 . 1 . . . . . 9 LEU N . 27984 1 33 . 1 . 1 10 10 SER H H 1 8.179 0.03 . 1 . . . . . 10 SER HN . 27984 1 34 . 1 . 1 10 10 SER CA C 13 61.921 0.1 . 1 . . . . . 10 SER CA . 27984 1 35 . 1 . 1 10 10 SER CB C 13 62.810 0.1 . 1 . . . . . 10 SER CB . 27984 1 36 . 1 . 1 10 10 SER N N 15 113.468 0.1 . 1 . . . . . 10 SER N . 27984 1 37 . 1 . 1 11 11 ASP H H 1 8.320 0.03 . 1 . . . . . 11 ASP HN . 27984 1 38 . 1 . 1 11 11 ASP CA C 13 57.531 0.1 . 1 . . . . . 11 ASP CA . 27984 1 39 . 1 . 1 11 11 ASP CB C 13 40.790 0.1 . 1 . . . . . 11 ASP CB . 27984 1 40 . 1 . 1 11 11 ASP N N 15 122.277 0.1 . 1 . . . . . 11 ASP N . 27984 1 41 . 1 . 1 12 12 PHE H H 1 8.623 0.03 . 1 . . . . . 12 PHE HN . 27984 1 42 . 1 . 1 12 12 PHE CA C 13 61.795 0.1 . 1 . . . . . 12 PHE CA . 27984 1 43 . 1 . 1 12 12 PHE CB C 13 40.393 0.1 . 1 . . . . . 12 PHE CB . 27984 1 44 . 1 . 1 12 12 PHE N N 15 123.558 0.1 . 1 . . . . . 12 PHE N . 27984 1 45 . 1 . 1 13 13 VAL H H 1 8.951 0.03 . 1 . . . . . 13 VAL HN . 27984 1 46 . 1 . 1 13 13 VAL CA C 13 67.066 0.1 . 1 . . . . . 13 VAL CA . 27984 1 47 . 1 . 1 13 13 VAL CB C 13 32.285 0.1 . 1 . . . . . 13 VAL CB . 27984 1 48 . 1 . 1 13 13 VAL N N 15 122.993 0.1 . 1 . . . . . 13 VAL N . 27984 1 49 . 1 . 1 14 14 ARG H H 1 8.200 0.03 . 1 . . . . . 14 ARG HN . 27984 1 50 . 1 . 1 14 14 ARG CA C 13 59.680 0.1 . 1 . . . . . 14 ARG CA . 27984 1 51 . 1 . 1 14 14 ARG CB C 13 30.041 0.1 . 1 . . . . . 14 ARG CB . 27984 1 52 . 1 . 1 14 14 ARG N N 15 121.128 0.1 . 1 . . . . . 14 ARG N . 27984 1 53 . 1 . 1 15 15 SER H H 1 8.029 0.03 . 1 . . . . . 15 SER HN . 27984 1 54 . 1 . 1 15 15 SER CA C 13 61.230 0.1 . 1 . . . . . 15 SER CA . 27984 1 55 . 1 . 1 15 15 SER CB C 13 63.651 0.1 . 1 . . . . . 15 SER CB . 27984 1 56 . 1 . 1 15 15 SER N N 15 112.107 0.1 . 1 . . . . . 15 SER N . 27984 1 57 . 1 . 1 16 16 THR H H 1 7.461 0.03 . 1 . . . . . 16 THR HN . 27984 1 58 . 1 . 1 16 16 THR CA C 13 62.575 0.1 . 1 . . . . . 16 THR CA . 27984 1 59 . 1 . 1 16 16 THR CB C 13 71.382 0.1 . 1 . . . . . 16 THR CB . 27984 1 60 . 1 . 1 16 16 THR N N 15 107.610 0.1 . 1 . . . . . 16 THR N . 27984 1 61 . 1 . 1 17 17 GLY H H 1 8.428 0.03 . 1 . . . . . 17 GLY HN . 27984 1 62 . 1 . 1 17 17 GLY CA C 13 45.502 0.1 . 1 . . . . . 17 GLY CA . 27984 1 63 . 1 . 1 17 17 GLY N N 15 111.486 0.1 . 1 . . . . . 17 GLY N . 27984 1 64 . 1 . 1 18 18 ALA H H 1 7.809 0.03 . 1 . . . . . 18 ALA HN . 27984 1 65 . 1 . 1 18 18 ALA CA C 13 51.845 0.1 . 1 . . . . . 18 ALA CA . 27984 1 66 . 1 . 1 18 18 ALA CB C 13 19.796 0.1 . 1 . . . . . 18 ALA CB . 27984 1 67 . 1 . 1 18 18 ALA N N 15 122.206 0.1 . 1 . . . . . 18 ALA N . 27984 1 68 . 1 . 1 19 19 GLU H H 1 8.362 0.03 . 1 . . . . . 19 GLU HN . 27984 1 69 . 1 . 1 19 19 GLU CA C 13 55.232 0.1 . 1 . . . . . 19 GLU CA . 27984 1 70 . 1 . 1 19 19 GLU CB C 13 29.755 0.1 . 1 . . . . . 19 GLU CB . 27984 1 71 . 1 . 1 19 19 GLU N N 15 122.488 0.1 . 1 . . . . . 19 GLU N . 27984 1 72 . 1 . 1 20 20 PRO CA C 13 66.245 0.1 . 1 . . . . . 20 PRO CA . 27984 1 73 . 1 . 1 20 20 PRO CB C 13 32.063 0.1 . 1 . . . . . 20 PRO CB . 27984 1 74 . 1 . 1 21 21 GLY H H 1 8.771 0.03 . 1 . . . . . 21 GLY HN . 27984 1 75 . 1 . 1 21 21 GLY CA C 13 47.272 0.1 . 1 . . . . . 21 GLY CA . 27984 1 76 . 1 . 1 21 21 GLY N N 15 107.741 0.1 . 1 . . . . . 21 GLY N . 27984 1 77 . 1 . 1 22 22 LEU H H 1 7.351 0.03 . 1 . . . . . 22 LEU HN . 27984 1 78 . 1 . 1 22 22 LEU CA C 13 57.484 0.1 . 1 . . . . . 22 LEU CA . 27984 1 79 . 1 . 1 22 22 LEU CB C 13 41.827 0.1 . 1 . . . . . 22 LEU CB . 27984 1 80 . 1 . 1 22 22 LEU N N 15 124.614 0.1 . 1 . . . . . 22 LEU N . 27984 1 81 . 1 . 1 23 23 ALA H H 1 8.455 0.03 . 1 . . . . . 23 ALA HN . 27984 1 82 . 1 . 1 23 23 ALA CA C 13 55.267 0.1 . 1 . . . . . 23 ALA CA . 27984 1 83 . 1 . 1 23 23 ALA CB C 13 19.807 0.1 . 1 . . . . . 23 ALA CB . 27984 1 84 . 1 . 1 23 23 ALA N N 15 119.272 0.1 . 1 . . . . . 23 ALA N . 27984 1 85 . 1 . 1 24 24 ARG H H 1 8.083 0.03 . 1 . . . . . 24 ARG HN . 27984 1 86 . 1 . 1 24 24 ARG CA C 13 60.014 0.1 . 1 . . . . . 24 ARG CA . 27984 1 87 . 1 . 1 24 24 ARG CB C 13 29.569 0.1 . 1 . . . . . 24 ARG CB . 27984 1 88 . 1 . 1 24 24 ARG N N 15 116.714 0.1 . 1 . . . . . 24 ARG N . 27984 1 89 . 1 . 1 25 25 ASP H H 1 7.696 0.03 . 1 . . . . . 25 ASP HN . 27984 1 90 . 1 . 1 25 25 ASP CA C 13 57.660 0.1 . 1 . . . . . 25 ASP CA . 27984 1 91 . 1 . 1 25 25 ASP CB C 13 40.276 0.1 . 1 . . . . . 25 ASP CB . 27984 1 92 . 1 . 1 25 25 ASP N N 15 119.421 0.1 . 1 . . . . . 25 ASP N . 27984 1 93 . 1 . 1 26 26 LEU H H 1 8.387 0.03 . 1 . . . . . 26 LEU HN . 27984 1 94 . 1 . 1 26 26 LEU CA C 13 57.067 0.1 . 1 . . . . . 26 LEU CA . 27984 1 95 . 1 . 1 26 26 LEU CB C 13 41.968 0.1 . 1 . . . . . 26 LEU CB . 27984 1 96 . 1 . 1 26 26 LEU N N 15 120.880 0.1 . 1 . . . . . 26 LEU N . 27984 1 97 . 1 . 1 27 27 LEU H H 1 7.845 0.03 . 1 . . . . . 27 LEU HN . 27984 1 98 . 1 . 1 27 27 LEU CA C 13 58.097 0.1 . 1 . . . . . 27 LEU CA . 27984 1 99 . 1 . 1 27 27 LEU CB C 13 40.011 0.1 . 1 . . . . . 27 LEU CB . 27984 1 100 . 1 . 1 27 27 LEU N N 15 119.730 0.1 . 1 . . . . . 27 LEU N . 27984 1 101 . 1 . 1 28 28 GLU H H 1 8.623 0.03 . 1 . . . . . 28 GLU HN . 27984 1 102 . 1 . 1 28 28 GLU CA C 13 59.846 0.1 . 1 . . . . . 28 GLU CA . 27984 1 103 . 1 . 1 28 28 GLU CB C 13 29.368 0.1 . 1 . . . . . 28 GLU CB . 27984 1 104 . 1 . 1 28 28 GLU N N 15 120.602 0.1 . 1 . . . . . 28 GLU N . 27984 1 105 . 1 . 1 29 29 GLY H H 1 7.913 0.03 . 1 . . . . . 29 GLY HN . 27984 1 106 . 1 . 1 29 29 GLY CA C 13 46.528 0.1 . 1 . . . . . 29 GLY CA . 27984 1 107 . 1 . 1 29 29 GLY N N 15 106.766 0.1 . 1 . . . . . 29 GLY N . 27984 1 108 . 1 . 1 30 30 LYS H H 1 6.944 0.03 . 1 . . . . . 30 LYS HN . 27984 1 109 . 1 . 1 30 30 LYS CA C 13 52.646 0.1 . 1 . . . . . 30 LYS CA . 27984 1 110 . 1 . 1 30 30 LYS CB C 13 32.003 0.1 . 1 . . . . . 30 LYS CB . 27984 1 111 . 1 . 1 30 30 LYS N N 15 117.189 0.1 . 1 . . . . . 30 LYS N . 27984 1 112 . 1 . 1 31 31 ASN H H 1 8.080 0.03 . 1 . . . . . 31 ASN HN . 27984 1 113 . 1 . 1 31 31 ASN CA C 13 55.266 0.1 . 1 . . . . . 31 ASN CA . 27984 1 114 . 1 . 1 31 31 ASN CB C 13 37.177 0.1 . 1 . . . . . 31 ASN CB . 27984 1 115 . 1 . 1 31 31 ASN N N 15 118.979 0.1 . 1 . . . . . 31 ASN N . 27984 1 116 . 1 . 1 32 32 TRP H H 1 8.794 0.03 . 1 . . . . . 32 TRP HN . 27984 1 117 . 1 . 1 32 32 TRP HE1 H 1 10.366 0.03 . 1 . . . . . 32 TRP HE1 . 27984 1 118 . 1 . 1 32 32 TRP CA C 13 59.865 0.1 . 1 . . . . . 32 TRP CA . 27984 1 119 . 1 . 1 32 32 TRP CB C 13 24.084 0.1 . 1 . . . . . 32 TRP CB . 27984 1 120 . 1 . 1 32 32 TRP N N 15 109.479 0.1 . 1 . . . . . 32 TRP N . 27984 1 121 . 1 . 1 32 32 TRP NE1 N 15 130.180 0.1 . 1 . . . . . 32 TRP NE1 . 27984 1 122 . 1 . 1 33 33 ASP H H 1 7.127 0.03 . 1 . . . . . 33 ASP HN . 27984 1 123 . 1 . 1 33 33 ASP CA C 13 53.247 0.1 . 1 . . . . . 33 ASP CA . 27984 1 124 . 1 . 1 33 33 ASP CB C 13 40.911 0.1 . 1 . . . . . 33 ASP CB . 27984 1 125 . 1 . 1 33 33 ASP N N 15 118.121 0.1 . 1 . . . . . 33 ASP N . 27984 1 126 . 1 . 1 34 34 VAL H H 1 8.258 0.03 . 1 . . . . . 34 VAL HN . 27984 1 127 . 1 . 1 34 34 VAL CA C 13 66.520 0.1 . 1 . . . . . 34 VAL CA . 27984 1 128 . 1 . 1 34 34 VAL CB C 13 32.245 0.1 . 1 . . . . . 34 VAL CB . 27984 1 129 . 1 . 1 34 34 VAL N N 15 127.171 0.1 . 1 . . . . . 34 VAL N . 27984 1 130 . 1 . 1 35 35 ASN H H 1 8.134 0.03 . 1 . . . . . 35 ASN HN . 27984 1 131 . 1 . 1 35 35 ASN CA C 13 56.666 0.1 . 1 . . . . . 35 ASN CA . 27984 1 132 . 1 . 1 35 35 ASN CB C 13 38.028 0.1 . 1 . . . . . 35 ASN CB . 27984 1 133 . 1 . 1 35 35 ASN N N 15 117.577 0.1 . 1 . . . . . 35 ASN N . 27984 1 134 . 1 . 1 36 36 ALA H H 1 8.022 0.03 . 1 . . . . . 36 ALA HN . 27984 1 135 . 1 . 1 36 36 ALA CA C 13 54.523 0.1 . 1 . . . . . 36 ALA CA . 27984 1 136 . 1 . 1 36 36 ALA CB C 13 18.400 0.1 . 1 . . . . . 36 ALA CB . 27984 1 137 . 1 . 1 36 36 ALA N N 15 124.214 0.1 . 1 . . . . . 36 ALA N . 27984 1 138 . 1 . 1 37 37 ALA H H 1 8.316 0.03 . 1 . . . . . 37 ALA HN . 27984 1 139 . 1 . 1 37 37 ALA CA C 13 55.369 0.1 . 1 . . . . . 37 ALA CA . 27984 1 140 . 1 . 1 37 37 ALA CB C 13 18.591 0.1 . 1 . . . . . 37 ALA CB . 27984 1 141 . 1 . 1 37 37 ALA N N 15 121.403 0.1 . 1 . . . . . 37 ALA N . 27984 1 142 . 1 . 1 38 38 LEU H H 1 8.910 0.03 . 1 . . . . . 38 LEU HN . 27984 1 143 . 1 . 1 38 38 LEU CA C 13 58.404 0.1 . 1 . . . . . 38 LEU CA . 27984 1 144 . 1 . 1 38 38 LEU CB C 13 42.055 0.1 . 1 . . . . . 38 LEU CB . 27984 1 145 . 1 . 1 38 38 LEU N N 15 120.283 0.1 . 1 . . . . . 38 LEU N . 27984 1 146 . 1 . 1 39 39 SER H H 1 7.750 0.03 . 1 . . . . . 39 SER HN . 27984 1 147 . 1 . 1 39 39 SER CA C 13 61.605 0.1 . 1 . . . . . 39 SER CA . 27984 1 148 . 1 . 1 39 39 SER CB C 13 62.460 0.1 . 1 . . . . . 39 SER CB . 27984 1 149 . 1 . 1 39 39 SER N N 15 114.701 0.1 . 1 . . . . . 39 SER N . 27984 1 150 . 1 . 1 40 40 ASP H H 1 7.952 0.03 . 1 . . . . . 40 ASP HN . 27984 1 151 . 1 . 1 40 40 ASP CA C 13 57.376 0.1 . 1 . . . . . 40 ASP CA . 27984 1 152 . 1 . 1 40 40 ASP CB C 13 40.415 0.1 . 1 . . . . . 40 ASP CB . 27984 1 153 . 1 . 1 40 40 ASP N N 15 122.186 0.1 . 1 . . . . . 40 ASP N . 27984 1 154 . 1 . 1 41 41 PHE H H 1 8.667 0.03 . 1 . . . . . 41 PHE HN . 27984 1 155 . 1 . 1 41 41 PHE CA C 13 62.011 0.1 . 1 . . . . . 41 PHE CA . 27984 1 156 . 1 . 1 41 41 PHE CB C 13 39.270 0.1 . 1 . . . . . 41 PHE CB . 27984 1 157 . 1 . 1 41 41 PHE N N 15 121.848 0.1 . 1 . . . . . 41 PHE N . 27984 1 158 . 1 . 1 42 42 GLU H H 1 8.385 0.03 . 1 . . . . . 42 GLU HN . 27984 1 159 . 1 . 1 42 42 GLU CA C 13 58.978 0.1 . 1 . . . . . 42 GLU CA . 27984 1 160 . 1 . 1 42 42 GLU CB C 13 29.259 0.1 . 1 . . . . . 42 GLU CB . 27984 1 161 . 1 . 1 42 42 GLU N N 15 118.629 0.1 . 1 . . . . . 42 GLU N . 27984 1 162 . 1 . 1 43 43 GLN H H 1 7.773 0.03 . 1 . . . . . 43 GLN HN . 27984 1 163 . 1 . 1 43 43 GLN CA C 13 58.193 0.1 . 1 . . . . . 43 GLN CA . 27984 1 164 . 1 . 1 43 43 GLN CB C 13 28.654 0.1 . 1 . . . . . 43 GLN CB . 27984 1 165 . 1 . 1 43 43 GLN N N 15 117.330 0.1 . 1 . . . . . 43 GLN N . 27984 1 166 . 1 . 1 44 44 LEU H H 1 7.735 0.03 . 1 . . . . . 44 LEU HN . 27984 1 167 . 1 . 1 44 44 LEU CA C 13 56.949 0.1 . 1 . . . . . 44 LEU CA . 27984 1 168 . 1 . 1 44 44 LEU CB C 13 41.996 0.1 . 1 . . . . . 44 LEU CB . 27984 1 169 . 1 . 1 44 44 LEU N N 15 120.206 0.1 . 1 . . . . . 44 LEU N . 27984 1 170 . 1 . 1 45 45 ARG H H 1 7.744 0.03 . 1 . . . . . 45 ARG HN . 27984 1 171 . 1 . 1 45 45 ARG CA C 13 57.483 0.1 . 1 . . . . . 45 ARG CA . 27984 1 172 . 1 . 1 45 45 ARG CB C 13 29.984 0.1 . 1 . . . . . 45 ARG CB . 27984 1 173 . 1 . 1 45 45 ARG N N 15 118.448 0.1 . 1 . . . . . 45 ARG N . 27984 1 174 . 1 . 1 46 46 GLN H H 1 7.798 0.03 . 1 . . . . . 46 GLN HN . 27984 1 175 . 1 . 1 46 46 GLN CA C 13 56.981 0.1 . 1 . . . . . 46 GLN CA . 27984 1 176 . 1 . 1 46 46 GLN CB C 13 28.895 0.1 . 1 . . . . . 46 GLN CB . 27984 1 177 . 1 . 1 46 46 GLN N N 15 118.592 0.1 . 1 . . . . . 46 GLN N . 27984 1 178 . 1 . 1 47 47 VAL H H 1 7.853 0.03 . 1 . . . . . 47 VAL HN . 27984 1 179 . 1 . 1 47 47 VAL CA C 13 63.651 0.1 . 1 . . . . . 47 VAL CA . 27984 1 180 . 1 . 1 47 47 VAL CB C 13 32.322 0.1 . 1 . . . . . 47 VAL CB . 27984 1 181 . 1 . 1 47 47 VAL N N 15 119.923 0.1 . 1 . . . . . 47 VAL N . 27984 1 182 . 1 . 1 48 48 HIS H H 1 8.151 0.03 . 1 . . . . . 48 HIS HN . 27984 1 183 . 1 . 1 48 48 HIS CA C 13 56.569 0.1 . 1 . . . . . 48 HIS CA . 27984 1 184 . 1 . 1 48 48 HIS CB C 13 30.665 0.1 . 1 . . . . . 48 HIS CB . 27984 1 185 . 1 . 1 48 48 HIS N N 15 121.579 0.1 . 1 . . . . . 48 HIS N . 27984 1 186 . 1 . 1 49 49 ALA H H 1 8.140 0.03 . 1 . . . . . 49 ALA HN . 27984 1 187 . 1 . 1 49 49 ALA CA C 13 53.040 0.1 . 1 . . . . . 49 ALA CA . 27984 1 188 . 1 . 1 49 49 ALA CB C 13 19.043 0.1 . 1 . . . . . 49 ALA CB . 27984 1 189 . 1 . 1 49 49 ALA N N 15 124.293 0.1 . 1 . . . . . 49 ALA N . 27984 1 190 . 1 . 1 50 50 GLY H H 1 8.283 0.03 . 1 . . . . . 50 GLY HN . 27984 1 191 . 1 . 1 50 50 GLY CA C 13 45.352 0.1 . 1 . . . . . 50 GLY CA . 27984 1 192 . 1 . 1 50 50 GLY N N 15 107.212 0.1 . 1 . . . . . 50 GLY N . 27984 1 193 . 1 . 1 51 51 ASN H H 1 8.173 0.03 . 1 . . . . . 51 ASN HN . 27984 1 194 . 1 . 1 51 51 ASN CA C 13 53.031 0.1 . 1 . . . . . 51 ASN CA . 27984 1 195 . 1 . 1 51 51 ASN CB C 13 39.096 0.1 . 1 . . . . . 51 ASN CB . 27984 1 196 . 1 . 1 51 51 ASN N N 15 118.319 0.1 . 1 . . . . . 51 ASN N . 27984 1 197 . 1 . 1 52 52 LEU H H 1 8.117 0.03 . 1 . . . . . 52 LEU HN . 27984 1 198 . 1 . 1 52 52 LEU CA C 13 53.155 0.1 . 1 . . . . . 52 LEU CA . 27984 1 199 . 1 . 1 52 52 LEU CB C 13 41.723 0.1 . 1 . . . . . 52 LEU CB . 27984 1 200 . 1 . 1 52 52 LEU N N 15 123.435 0.1 . 1 . . . . . 52 LEU N . 27984 1 201 . 1 . 1 54 54 PRO CA C 13 63.309 0.1 . 1 . . . . . 54 PRO CA . 27984 1 202 . 1 . 1 54 54 PRO CB C 13 31.983 0.1 . 1 . . . . . 54 PRO CB . 27984 1 203 . 1 . 1 55 55 SER H H 1 7.961 0.03 . 1 . . . . . 55 SER HN . 27984 1 204 . 1 . 1 55 55 SER CA C 13 59.939 0.1 . 1 . . . . . 55 SER CA . 27984 1 205 . 1 . 1 55 55 SER CB C 13 64.969 0.1 . 1 . . . . . 55 SER CB . 27984 1 206 . 1 . 1 55 55 SER N N 15 121.675 0.1 . 1 . . . . . 55 SER N . 27984 1 stop_ save_