################################### # 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 27375 _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 . _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 '3D HNCO' . . . 27375 1 2 '3D HNCA' . . . 27375 1 3 '3D HNCACB' . . . 27375 1 4 '3D HN(CA)NNH' . . . 27375 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.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 SER H H 1 8.17 0.02 . 1 . . . . . 2 SER HN . 27375 1 2 . 1 1 2 2 SER N N 15 115.185 0.25 . 1 . . . . . 2 SER N . 27375 1 3 . 1 1 3 3 HIS H H 1 8.288 0.02 . 1 . . . . . 3 HIS HN . 27375 1 4 . 1 1 3 3 HIS C C 13 174.287 0.80 . 1 . . . . . 3 HIS C . 27375 1 5 . 1 1 3 3 HIS CA C 13 55.455 0.80 . 1 . . . . . 3 HIS CA . 27375 1 6 . 1 1 3 3 HIS CB C 13 29.459 0.80 . 1 . . . . . 3 HIS CB . 27375 1 7 . 1 1 3 3 HIS N N 15 120.73 0.25 . 1 . . . . . 3 HIS N . 27375 1 8 . 1 1 4 4 ALA H H 1 8.195 0.02 . 1 . . . . . 4 ALA HN . 27375 1 9 . 1 1 4 4 ALA C C 13 177.639 0.80 . 1 . . . . . 4 ALA C . 27375 1 10 . 1 1 4 4 ALA CA C 13 52.44 0.80 . 1 . . . . . 4 ALA CA . 27375 1 11 . 1 1 4 4 ALA CB C 13 19.043 0.80 . 1 . . . . . 4 ALA CB . 27375 1 12 . 1 1 4 4 ALA N N 15 125.285 0.25 . 1 . . . . . 4 ALA N . 27375 1 13 . 1 1 5 5 SER H H 1 8.299 0.02 . 1 . . . . . 5 SER HN . 27375 1 14 . 1 1 5 5 SER C C 13 174.624 0.80 . 1 . . . . . 5 SER C . 27375 1 15 . 1 1 5 5 SER CA C 13 58.275 0.80 . 1 . . . . . 5 SER CA . 27375 1 16 . 1 1 5 5 SER CB C 13 63.64 0.80 . 1 . . . . . 5 SER CB . 27375 1 17 . 1 1 5 5 SER N N 15 115.499 0.25 . 1 . . . . . 5 SER N . 27375 1 18 . 1 1 6 6 SER H H 1 8.296 0.02 . 1 . . . . . 6 SER HN . 27375 1 19 . 1 1 6 6 SER C C 13 174.541 0.80 . 1 . . . . . 6 SER C . 27375 1 20 . 1 1 6 6 SER CA C 13 58.536 0.80 . 1 . . . . . 6 SER CA . 27375 1 21 . 1 1 6 6 SER CB C 13 63.716 0.80 . 1 . . . . . 6 SER CB . 27375 1 22 . 1 1 6 6 SER N N 15 117.89 0.25 . 1 . . . . . 6 SER N . 27375 1 23 . 1 1 7 7 SER H H 1 8.244 0.02 . 1 . . . . . 7 SER HN . 27375 1 24 . 1 1 7 7 SER C C 13 174.704 0.80 . 1 . . . . . 7 SER C . 27375 1 25 . 1 1 7 7 SER CA C 13 58.554 0.80 . 1 . . . . . 7 SER CA . 27375 1 26 . 1 1 7 7 SER CB C 13 63.596 0.80 . 1 . . . . . 7 SER CB . 27375 1 27 . 1 1 7 7 SER N N 15 117.566 0.25 . 1 . . . . . 7 SER N . 27375 1 28 . 1 1 8 8 GLY H H 1 8.16 0.02 . 1 . . . . . 8 GLY HN . 27375 1 29 . 1 1 8 8 GLY C C 13 173.277 0.80 . 1 . . . . . 8 GLY C . 27375 1 30 . 1 1 8 8 GLY CA C 13 44.745 0.80 . 1 . . . . . 8 GLY CA . 27375 1 31 . 1 1 8 8 GLY N N 15 110.609 0.25 . 1 . . . . . 8 GLY N . 27375 1 32 . 1 1 9 9 ASP H H 1 8.076 0.02 . 1 . . . . . 9 ASP HN . 27375 1 33 . 1 1 9 9 ASP C C 13 174.873 0.80 . 1 . . . . . 9 ASP C . 27375 1 34 . 1 1 9 9 ASP CA C 13 52.152 0.80 . 1 . . . . . 9 ASP CA . 27375 1 35 . 1 1 9 9 ASP CB C 13 40.89 0.80 . 1 . . . . . 9 ASP CB . 27375 1 36 . 1 1 9 9 ASP N N 15 121.917 0.25 . 1 . . . . . 9 ASP N . 27375 1 37 . 1 1 10 10 PRO C C 13 177.027 0.80 . 1 . . . . . 10 PRO C . 27375 1 38 . 1 1 10 10 PRO CA C 13 63.553 0.80 . 1 . . . . . 10 PRO CA . 27375 1 39 . 1 1 10 10 PRO CB C 13 31.79 0.80 . 1 . . . . . 10 PRO CB . 27375 1 40 . 1 1 11 11 ALA H H 1 8.243 0.02 . 1 . . . . . 11 ALA HN . 27375 1 41 . 1 1 11 11 ALA C C 13 178.326 0.80 . 1 . . . . . 11 ALA C . 27375 1 42 . 1 1 11 11 ALA CA C 13 53.037 0.80 . 1 . . . . . 11 ALA CA . 27375 1 43 . 1 1 11 11 ALA CB C 13 18.607 0.80 . 1 . . . . . 11 ALA CB . 27375 1 44 . 1 1 11 11 ALA N N 15 122.642 0.25 . 1 . . . . . 11 ALA N . 27375 1 45 . 1 1 12 12 GLU H H 1 7.934 0.02 . 1 . . . . . 12 GLU HN . 27375 1 46 . 1 1 12 12 GLU C C 13 176.624 0.80 . 1 . . . . . 12 GLU C . 27375 1 47 . 1 1 12 12 GLU CA C 13 56.845 0.80 . 1 . . . . . 12 GLU CA . 27375 1 48 . 1 1 12 12 GLU CB C 13 29.709 0.80 . 1 . . . . . 12 GLU CB . 27375 1 49 . 1 1 12 12 GLU N N 15 118.468 0.25 . 1 . . . . . 12 GLU N . 27375 1 50 . 1 1 13 13 TYR H H 1 7.84 0.02 . 1 . . . . . 13 TYR HN . 27375 1 51 . 1 1 13 13 TYR C C 13 176.013 0.80 . 1 . . . . . 13 TYR C . 27375 1 52 . 1 1 13 13 TYR CA C 13 58.549 0.80 . 1 . . . . . 13 TYR CA . 27375 1 53 . 1 1 13 13 TYR CB C 13 38.1 0.80 . 1 . . . . . 13 TYR CB . 27375 1 54 . 1 1 13 13 TYR N N 15 120.33 0.25 . 1 . . . . . 13 TYR N . 27375 1 55 . 1 1 14 14 ASN H H 1 8.111 0.02 . 1 . . . . . 14 ASN HN . 27375 1 56 . 1 1 14 14 ASN C C 13 175.274 0.80 . 1 . . . . . 14 ASN C . 27375 1 57 . 1 1 14 14 ASN CA C 13 53.535 0.80 . 1 . . . . . 14 ASN CA . 27375 1 58 . 1 1 14 14 ASN CB C 13 38.386 0.80 . 1 . . . . . 14 ASN CB . 27375 1 59 . 1 1 14 14 ASN N N 15 119.539 0.25 . 1 . . . . . 14 ASN N . 27375 1 60 . 1 1 15 15 LEU H H 1 7.845 0.02 . 1 . . . . . 15 LEU HN . 27375 1 61 . 1 1 15 15 LEU C C 13 177.761 0.80 . 1 . . . . . 15 LEU C . 27375 1 62 . 1 1 15 15 LEU CA C 13 55.923 0.80 . 1 . . . . . 15 LEU CA . 27375 1 63 . 1 1 15 15 LEU CB C 13 41.757 0.80 . 1 . . . . . 15 LEU CB . 27375 1 64 . 1 1 15 15 LEU N N 15 121.622 0.25 . 1 . . . . . 15 LEU N . 27375 1 65 . 1 1 16 16 ARG H H 1 7.991 0.02 . 1 . . . . . 16 ARG HN . 27375 1 66 . 1 1 16 16 ARG C C 13 176.582 0.80 . 1 . . . . . 16 ARG C . 27375 1 67 . 1 1 16 16 ARG CA C 13 56.517 0.80 . 1 . . . . . 16 ARG CA . 27375 1 68 . 1 1 16 16 ARG CB C 13 30.177 0.80 . 1 . . . . . 16 ARG CB . 27375 1 69 . 1 1 16 16 ARG N N 15 120.317 0.25 . 1 . . . . . 16 ARG N . 27375 1 70 . 1 1 17 17 SER H H 1 7.989 0.02 . 1 . . . . . 17 SER HN . 27375 1 71 . 1 1 17 17 SER C C 13 174.531 0.80 . 1 . . . . . 17 SER C . 27375 1 72 . 1 1 17 17 SER CA C 13 58.616 0.80 . 1 . . . . . 17 SER CA . 27375 1 73 . 1 1 17 17 SER CB C 13 63.361 0.80 . 1 . . . . . 17 SER CB . 27375 1 74 . 1 1 17 17 SER N N 15 115.749 0.25 . 1 . . . . . 17 SER N . 27375 1 75 . 1 1 18 18 ARG H H 1 8.09 0.02 . 1 . . . . . 18 ARG HN . 27375 1 76 . 1 1 18 18 ARG C C 13 176.387 0.80 . 1 . . . . . 18 ARG C . 27375 1 77 . 1 1 18 18 ARG CA C 13 56.297 0.80 . 1 . . . . . 18 ARG CA . 27375 1 78 . 1 1 18 18 ARG CB C 13 30.394 0.80 . 1 . . . . . 18 ARG CB . 27375 1 79 . 1 1 18 18 ARG N N 15 122.501 0.25 . 1 . . . . . 18 ARG N . 27375 1 80 . 1 1 19 19 THR H H 1 8.006 0.02 . 1 . . . . . 19 THR HN . 27375 1 81 . 1 1 19 19 THR C C 13 174.309 0.80 . 1 . . . . . 19 THR C . 27375 1 82 . 1 1 19 19 THR CA C 13 62.354 0.80 . 1 . . . . . 19 THR CA . 27375 1 83 . 1 1 19 19 THR CB C 13 69.536 0.80 . 1 . . . . . 19 THR CB . 27375 1 84 . 1 1 19 19 THR N N 15 115.976 0.25 . 1 . . . . . 19 THR N . 27375 1 85 . 1 1 20 20 VAL H H 1 8.052 0.02 . 1 . . . . . 20 VAL HN . 27375 1 86 . 1 1 20 20 VAL C C 13 175.968 0.80 . 1 . . . . . 20 VAL C . 27375 1 87 . 1 1 20 20 VAL CA C 13 62.318 0.80 . 1 . . . . . 20 VAL CA . 27375 1 88 . 1 1 20 20 VAL CB C 13 32.382 0.80 . 1 . . . . . 20 VAL CB . 27375 1 89 . 1 1 20 20 VAL N N 15 123.643 0.25 . 1 . . . . . 20 VAL N . 27375 1 90 . 1 1 21 21 LEU H H 1 8.19 0.02 . 1 . . . . . 21 LEU HN . 27375 1 91 . 1 1 21 21 LEU C C 13 176.92 0.80 . 1 . . . . . 21 LEU C . 27375 1 92 . 1 1 21 21 LEU CA C 13 54.824 0.80 . 1 . . . . . 21 LEU CA . 27375 1 93 . 1 1 21 21 LEU CB C 13 41.95 0.80 . 1 . . . . . 21 LEU CB . 27375 1 94 . 1 1 21 21 LEU N N 15 126.265 0.25 . 1 . . . . . 21 LEU N . 27375 1 95 . 1 1 22 22 ALA H H 1 8.167 0.02 . 1 . . . . . 22 ALA HN . 27375 1 96 . 1 1 22 22 ALA C C 13 178.099 0.80 . 1 . . . . . 22 ALA C . 27375 1 97 . 1 1 22 22 ALA CA C 13 52.577 0.80 . 1 . . . . . 22 ALA CA . 27375 1 98 . 1 1 22 22 ALA CB C 13 18.953 0.80 . 1 . . . . . 22 ALA CB . 27375 1 99 . 1 1 22 22 ALA N N 15 125.227 0.25 . 1 . . . . . 22 ALA N . 27375 1 100 . 1 1 23 23 GLY H H 1 8.226 0.02 . 1 . . . . . 23 GLY HN . 27375 1 101 . 1 1 23 23 GLY C C 13 174.375 0.80 . 1 . . . . . 23 GLY C . 27375 1 102 . 1 1 23 23 GLY CA C 13 45.113 0.80 . 1 . . . . . 23 GLY CA . 27375 1 103 . 1 1 23 23 GLY N N 15 108.117 0.25 . 1 . . . . . 23 GLY N . 27375 1 104 . 1 1 24 24 THR H H 1 7.896 0.02 . 1 . . . . . 24 THR HN . 27375 1 105 . 1 1 24 24 THR C C 13 174.444 0.80 . 1 . . . . . 24 THR C . 27375 1 106 . 1 1 24 24 THR CA C 13 61.682 0.80 . 1 . . . . . 24 THR CA . 27375 1 107 . 1 1 24 24 THR CB C 13 69.738 0.80 . 1 . . . . . 24 THR CB . 27375 1 108 . 1 1 24 24 THR N N 15 113.275 0.25 . 1 . . . . . 24 THR N . 27375 1 109 . 1 1 25 25 ALA H H 1 8.256 0.02 . 1 . . . . . 25 ALA HN . 27375 1 110 . 1 1 25 25 ALA C C 13 178.046 0.80 . 1 . . . . . 25 ALA C . 27375 1 111 . 1 1 25 25 ALA CA C 13 52.651 0.80 . 1 . . . . . 25 ALA CA . 27375 1 112 . 1 1 25 25 ALA CB C 13 18.872 0.80 . 1 . . . . . 25 ALA CB . 27375 1 113 . 1 1 25 25 ALA N N 15 126.388 0.25 . 1 . . . . . 25 ALA N . 27375 1 114 . 1 1 26 26 GLY H H 1 8.232 0.02 . 1 . . . . . 26 GLY HN . 27375 1 115 . 1 1 26 26 GLY C C 13 173.646 0.80 . 1 . . . . . 26 GLY C . 27375 1 116 . 1 1 26 26 GLY CA C 13 44.849 0.80 . 1 . . . . . 26 GLY CA . 27375 1 117 . 1 1 26 26 GLY N N 15 108.1 0.25 . 1 . . . . . 26 GLY N . 27375 1 118 . 1 1 27 27 GLN H H 1 8.014 0.02 . 1 . . . . . 27 GLN HN . 27375 1 119 . 1 1 27 27 GLN C C 13 173.889 0.80 . 1 . . . . . 27 GLN C . 27375 1 120 . 1 1 27 27 GLN CA C 13 53.394 0.80 . 1 . . . . . 27 GLN CA . 27375 1 121 . 1 1 27 27 GLN CB C 13 28.491 0.80 . 1 . . . . . 27 GLN CB . 27375 1 122 . 1 1 27 27 GLN N N 15 120.549 0.25 . 1 . . . . . 27 GLN N . 27375 1 123 . 1 1 28 28 PRO CA C 13 62.98 0.80 . 1 . . . . . 28 PRO CA . 27375 1 124 . 1 1 28 28 PRO CB C 13 31.856 0.80 . 1 . . . . . 28 PRO CB . 27375 1 125 . 1 1 29 29 ALA H H 1 8.349 0.02 . 1 . . . . . 29 ALA HN . 27375 1 126 . 1 1 29 29 ALA C C 13 177.515 0.80 . 1 . . . . . 29 ALA C . 27375 1 127 . 1 1 29 29 ALA CA C 13 52.422 0.80 . 1 . . . . . 29 ALA CA . 27375 1 128 . 1 1 29 29 ALA CB C 13 18.881 0.80 . 1 . . . . . 29 ALA CB . 27375 1 129 . 1 1 29 29 ALA N N 15 124.192 0.25 . 1 . . . . . 29 ALA N . 27375 1 130 . 1 1 30 30 ASP H H 1 8.15 0.02 . 1 . . . . . 30 ASP HN . 27375 1 131 . 1 1 30 30 ASP C C 13 176.285 0.80 . 1 . . . . . 30 ASP C . 27375 1 132 . 1 1 30 30 ASP CA C 13 54.101 0.80 . 1 . . . . . 30 ASP CA . 27375 1 133 . 1 1 30 30 ASP CB C 13 40.944 0.80 . 1 . . . . . 30 ASP CB . 27375 1 134 . 1 1 30 30 ASP N N 15 119.25 0.25 . 1 . . . . . 30 ASP N . 27375 1 135 . 1 1 31 31 LYS H H 1 8.077 0.02 . 1 . . . . . 31 LYS HN . 27375 1 136 . 1 1 31 31 LYS C C 13 176.49 0.80 . 1 . . . . . 31 LYS C . 27375 1 137 . 1 1 31 31 LYS CA C 13 56.464 0.80 . 1 . . . . . 31 LYS CA . 27375 1 138 . 1 1 31 31 LYS CB C 13 32.62 0.80 . 1 . . . . . 31 LYS CB . 27375 1 139 . 1 1 31 31 LYS N N 15 121.84 0.25 . 1 . . . . . 31 LYS N . 27375 1 140 . 1 1 32 32 ALA H H 1 8.169 0.02 . 1 . . . . . 32 ALA HN . 27375 1 141 . 1 1 32 32 ALA C C 13 177.957 0.80 . 1 . . . . . 32 ALA C . 27375 1 142 . 1 1 32 32 ALA CA C 13 52.675 0.80 . 1 . . . . . 32 ALA CA . 27375 1 143 . 1 1 32 32 ALA CB C 13 18.819 0.80 . 1 . . . . . 32 ALA CB . 27375 1 144 . 1 1 32 32 ALA N N 15 124.579 0.25 . 1 . . . . . 32 ALA N . 27375 1 145 . 1 1 33 33 SER H H 1 8.06 0.02 . 1 . . . . . 33 SER HN . 27375 1 146 . 1 1 33 33 SER C C 13 174.457 0.80 . 1 . . . . . 33 SER C . 27375 1 147 . 1 1 33 33 SER CA C 13 58.34 0.80 . 1 . . . . . 33 SER CA . 27375 1 148 . 1 1 33 33 SER CB C 13 63.605 0.80 . 1 . . . . . 33 SER CB . 27375 1 149 . 1 1 33 33 SER N N 15 114.871 0.25 . 1 . . . . . 33 SER N . 27375 1 150 . 1 1 34 34 ALA H H 1 8.186 0.02 . 1 . . . . . 34 ALA HN . 27375 1 151 . 1 1 34 34 ALA C C 13 177.793 0.80 . 1 . . . . . 34 ALA C . 27375 1 152 . 1 1 34 34 ALA CA C 13 52.515 0.80 . 1 . . . . . 34 ALA CA . 27375 1 153 . 1 1 34 34 ALA CB C 13 18.905 0.80 . 1 . . . . . 34 ALA CB . 27375 1 154 . 1 1 34 34 ALA N N 15 126.062 0.25 . 1 . . . . . 34 ALA N . 27375 1 155 . 1 1 35 35 SER H H 1 8.137 0.02 . 1 . . . . . 35 SER HN . 27375 1 156 . 1 1 35 35 SER CA C 13 58.451 0.80 . 1 . . . . . 35 SER CA . 27375 1 157 . 1 1 35 35 SER CB C 13 63.612 0.80 . 1 . . . . . 35 SER CB . 27375 1 158 . 1 1 35 35 SER N N 15 114.769 0.25 . 1 . . . . . 35 SER N . 27375 1 159 . 1 1 36 36 GLY H H 1 8.233 0.02 . 1 . . . . . 36 GLY HN . 27375 1 160 . 1 1 36 36 GLY C C 13 174.276 0.80 . 1 . . . . . 36 GLY C . 27375 1 161 . 1 1 36 36 GLY CA C 13 45.153 0.80 . 1 . . . . . 36 GLY CA . 27375 1 162 . 1 1 36 36 GLY N N 15 110.911 0.25 . 1 . . . . . 36 GLY N . 27375 1 163 . 1 1 37 37 SER H H 1 8.162 0.02 . 1 . . . . . 37 SER HN . 27375 1 164 . 1 1 37 37 SER C C 13 175.054 0.80 . 1 . . . . . 37 SER C . 27375 1 165 . 1 1 37 37 SER CA C 13 58.471 0.80 . 1 . . . . . 37 SER CA . 27375 1 166 . 1 1 37 37 SER CB C 13 63.662 0.80 . 1 . . . . . 37 SER CB . 27375 1 167 . 1 1 37 37 SER N N 15 115.678 0.25 . 1 . . . . . 37 SER N . 27375 1 168 . 1 1 38 38 GLY H H 1 8.354 0.02 . 1 . . . . . 38 GLY HN . 27375 1 169 . 1 1 38 38 GLY C C 13 173.842 0.80 . 1 . . . . . 38 GLY C . 27375 1 170 . 1 1 38 38 GLY CA C 13 45.071 0.80 . 1 . . . . . 38 GLY CA . 27375 1 171 . 1 1 38 38 GLY N N 15 111.015 0.25 . 1 . . . . . 38 GLY N . 27375 1 172 . 1 1 39 39 ALA H H 1 7.997 0.02 . 1 . . . . . 39 ALA HN . 27375 1 173 . 1 1 39 39 ALA C C 13 177.642 0.80 . 1 . . . . . 39 ALA C . 27375 1 174 . 1 1 39 39 ALA CA C 13 52.362 0.80 . 1 . . . . . 39 ALA CA . 27375 1 175 . 1 1 39 39 ALA CB C 13 18.985 0.80 . 1 . . . . . 39 ALA CB . 27375 1 176 . 1 1 39 39 ALA N N 15 123.592 0.25 . 1 . . . . . 39 ALA N . 27375 1 177 . 1 1 40 40 GLN H H 1 8.245 0.02 . 1 . . . . . 40 GLN HN . 27375 1 178 . 1 1 40 40 GLN C C 13 175.707 0.80 . 1 . . . . . 40 GLN C . 27375 1 179 . 1 1 40 40 GLN CA C 13 55.329 0.80 . 1 . . . . . 40 GLN CA . 27375 1 180 . 1 1 40 40 GLN CB C 13 29.156 0.80 . 1 . . . . . 40 GLN CB . 27375 1 181 . 1 1 40 40 GLN N N 15 119.389 0.25 . 1 . . . . . 40 GLN N . 27375 1 182 . 1 1 41 41 SER H H 1 8.246 0.02 . 1 . . . . . 41 SER HN . 27375 1 183 . 1 1 41 41 SER C C 13 172.608 0.80 . 1 . . . . . 41 SER C . 27375 1 184 . 1 1 41 41 SER CA C 13 56.411 0.80 . 1 . . . . . 41 SER CA . 27375 1 185 . 1 1 41 41 SER CB C 13 62.993 0.80 . 1 . . . . . 41 SER CB . 27375 1 186 . 1 1 41 41 SER N N 15 118.842 0.25 . 1 . . . . . 41 SER N . 27375 1 187 . 1 1 42 42 PRO C C 13 176.924 0.80 . 1 . . . . . 42 PRO C . 27375 1 188 . 1 1 42 42 PRO CA C 13 63.229 0.80 . 1 . . . . . 42 PRO CA . 27375 1 189 . 1 1 42 42 PRO CB C 13 31.912 0.80 . 1 . . . . . 42 PRO CB . 27375 1 190 . 1 1 43 43 GLN H H 1 8.348 0.02 . 1 . . . . . 43 GLN HN . 27375 1 191 . 1 1 43 43 GLN C C 13 175.707 0.80 . 1 . . . . . 43 GLN C . 27375 1 192 . 1 1 43 43 GLN CA C 13 55.967 0.80 . 1 . . . . . 43 GLN CA . 27375 1 193 . 1 1 43 43 GLN CB C 13 29.01 0.80 . 1 . . . . . 43 GLN CB . 27375 1 194 . 1 1 43 43 GLN N N 15 120.092 0.25 . 1 . . . . . 43 GLN N . 27375 1 195 . 1 1 44 44 ASN H H 1 8.228 0.02 . 1 . . . . . 44 ASN HN . 27375 1 196 . 1 1 44 44 ASN C C 13 174.708 0.80 . 1 . . . . . 44 ASN C . 27375 1 197 . 1 1 44 44 ASN CA C 13 53.082 0.80 . 1 . . . . . 44 ASN CA . 27375 1 198 . 1 1 44 44 ASN CB C 13 38.595 0.80 . 1 . . . . . 44 ASN CB . 27375 1 199 . 1 1 44 44 ASN N N 15 119.658 0.25 . 1 . . . . . 44 ASN N . 27375 1 200 . 1 1 45 45 ALA H H 1 8.134 0.02 . 1 . . . . . 45 ALA HN . 27375 1 201 . 1 1 45 45 ALA CA C 13 52.477 0.80 . 1 . . . . . 45 ALA CA . 27375 1 202 . 1 1 45 45 ALA CB C 13 18.95 0.80 . 1 . . . . . 45 ALA CB . 27375 1 203 . 1 1 45 45 ALA N N 15 124.398 0.25 . 1 . . . . . 45 ALA N . 27375 1 204 . 1 1 46 46 SER H H 1 8.169 0.02 . 1 . . . . . 46 SER HN . 27375 1 205 . 1 1 46 46 SER CA C 13 58.342 0.80 . 1 . . . . . 46 SER CA . 27375 1 206 . 1 1 46 46 SER CB C 13 63.551 0.80 . 1 . . . . . 46 SER CB . 27375 1 207 . 1 1 46 46 SER N N 15 115.12 0.25 . 1 . . . . . 46 SER N . 27375 1 208 . 1 1 47 47 ILE H H 1 7.949 0.02 . 1 . . . . . 47 ILE HN . 27375 1 209 . 1 1 47 47 ILE CA C 13 61.192 0.80 . 1 . . . . . 47 ILE CA . 27375 1 210 . 1 1 47 47 ILE CB C 13 38.426 0.80 . 1 . . . . . 47 ILE CB . 27375 1 211 . 1 1 47 47 ILE N N 15 122.336 0.25 . 1 . . . . . 47 ILE N . 27375 1 212 . 1 1 48 48 MET H H 1 7.817 0.02 . 1 . . . . . 48 MET HN . 27375 1 213 . 1 1 48 48 MET CA C 13 56.804 0.80 . 1 . . . . . 48 MET CA . 27375 1 214 . 1 1 48 48 MET CB C 13 33.371 0.80 . 1 . . . . . 48 MET CB . 27375 1 215 . 1 1 48 48 MET N N 15 129.302 0.25 . 1 . . . . . 48 MET N . 27375 1 stop_ save_