################################### # 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 31214 _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 $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 '3D HNCA' . . . 31214 1 2 '3D HNCACB' . . . 31214 1 3 '3D HNCO' . . . 31214 1 4 '3D HN(CA)CO' . . . 31214 1 5 '2D 1H-15N HSQC' . . . 31214 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 3 3 SER H H 1 8.393 0.020 . 1 . . . . A 673 SER H . 31214 1 2 . 1 . 1 3 3 SER C C 13 174.422 0.3 . 1 . . . . A 673 SER C . 31214 1 3 . 1 . 1 3 3 SER CA C 13 57.778 0.3 . 1 . . . . A 673 SER CA . 31214 1 4 . 1 . 1 3 3 SER CB C 13 63.489 0.3 . 1 . . . . A 673 SER CB . 31214 1 5 . 1 . 1 3 3 SER N N 15 117.633 0.3 . 1 . . . . A 673 SER N . 31214 1 6 . 1 . 1 4 4 VAL H H 1 8.132 0.020 . 1 . . . . A 674 VAL H . 31214 1 7 . 1 . 1 4 4 VAL C C 13 175.513 0.3 . 1 . . . . A 674 VAL C . 31214 1 8 . 1 . 1 4 4 VAL CA C 13 61.536 0.3 . 1 . . . . A 674 VAL CA . 31214 1 9 . 1 . 1 4 4 VAL CB C 13 31.808 0.3 . 1 . . . . A 674 VAL CB . 31214 1 10 . 1 . 1 4 4 VAL N N 15 122.109 0.3 . 1 . . . . A 674 VAL N . 31214 1 11 . 1 . 1 5 5 ALA H H 1 8.241 0.020 . 1 . . . . A 675 ALA H . 31214 1 12 . 1 . 1 5 5 ALA C C 13 177.606 0.3 . 1 . . . . A 675 ALA C . 31214 1 13 . 1 . 1 5 5 ALA CA C 13 51.844 0.3 . 1 . . . . A 675 ALA CA . 31214 1 14 . 1 . 1 5 5 ALA CB C 13 18.746 0.3 . 1 . . . . A 675 ALA CB . 31214 1 15 . 1 . 1 5 5 ALA N N 15 127.397 0.3 . 1 . . . . A 675 ALA N . 31214 1 16 . 1 . 1 6 6 GLY H H 1 8.102 0.020 . 1 . . . . A 676 GLY H . 31214 1 17 . 1 . 1 6 6 GLY C C 13 171.992 0.3 . 1 . . . . A 676 GLY C . 31214 1 18 . 1 . 1 6 6 GLY CA C 13 44.390 0.3 . 1 . . . . A 676 GLY CA . 31214 1 19 . 1 . 1 6 6 GLY N N 15 108.216 0.3 . 1 . . . . A 676 GLY N . 31214 1 20 . 1 . 1 8 8 ASN H H 1 8.463 0.020 . 1 . . . . A 678 ASN H . 31214 1 21 . 1 . 1 8 8 ASN C C 13 175.926 0.3 . 1 . . . . A 678 ASN C . 31214 1 22 . 1 . 1 8 8 ASN CA C 13 52.640 0.3 . 1 . . . . A 678 ASN CA . 31214 1 23 . 1 . 1 8 8 ASN CB C 13 37.540 0.3 . 1 . . . . A 678 ASN CB . 31214 1 24 . 1 . 1 8 8 ASN N N 15 119.329 0.3 . 1 . . . . A 678 ASN N . 31214 1 25 . 1 . 1 9 9 ILE H H 1 8.183 0.020 . 1 . . . . A 679 ILE H . 31214 1 26 . 1 . 1 9 9 ILE C C 13 177.038 0.3 . 1 . . . . A 679 ILE C . 31214 1 27 . 1 . 1 9 9 ILE CA C 13 63.065 0.3 . 1 . . . . A 679 ILE CA . 31214 1 28 . 1 . 1 9 9 ILE CB C 13 36.375 0.3 . 1 . . . . A 679 ILE CB . 31214 1 29 . 1 . 1 9 9 ILE N N 15 122.789 0.3 . 1 . . . . A 679 ILE N . 31214 1 30 . 1 . 1 10 10 ALA H H 1 8.400 0.020 . 1 . . . . A 680 ALA H . 31214 1 31 . 1 . 1 10 10 ALA C C 13 179.468 0.3 . 1 . . . . A 680 ALA C . 31214 1 32 . 1 . 1 10 10 ALA CA C 13 55.105 0.3 . 1 . . . . A 680 ALA CA . 31214 1 33 . 1 . 1 10 10 ALA CB C 13 17.227 0.3 . 1 . . . . A 680 ALA CB . 31214 1 34 . 1 . 1 10 10 ALA N N 15 123.011 0.3 . 1 . . . . A 680 ALA N . 31214 1 35 . 1 . 1 11 11 ALA H H 1 7.711 0.020 . 1 . . . . A 681 ALA H . 31214 1 36 . 1 . 1 11 11 ALA C C 13 179.743 0.3 . 1 . . . . A 681 ALA C . 31214 1 37 . 1 . 1 11 11 ALA CA C 13 54.260 0.3 . 1 . . . . A 681 ALA CA . 31214 1 38 . 1 . 1 11 11 ALA CB C 13 17.531 0.3 . 1 . . . . A 681 ALA CB . 31214 1 39 . 1 . 1 11 11 ALA N N 15 119.462 0.3 . 1 . . . . A 681 ALA N . 31214 1 40 . 1 . 1 12 12 ILE H H 1 7.813 0.020 . 1 . . . . A 682 ILE H . 31214 1 41 . 1 . 1 12 12 ILE C C 13 178.944 0.3 . 1 . . . . A 682 ILE C . 31214 1 42 . 1 . 1 12 12 ILE CA C 13 64.132 0.3 . 1 . . . . A 682 ILE CA . 31214 1 43 . 1 . 1 12 12 ILE CB C 13 37.062 0.3 . 1 . . . . A 682 ILE CB . 31214 1 44 . 1 . 1 12 12 ILE N N 15 118.048 0.3 . 1 . . . . A 682 ILE N . 31214 1 45 . 1 . 1 13 13 VAL H H 1 8.685 0.020 . 1 . . . . A 683 VAL H . 31214 1 46 . 1 . 1 13 13 VAL C C 13 177.573 0.3 . 1 . . . . A 683 VAL C . 31214 1 47 . 1 . 1 13 13 VAL CA C 13 66.439 0.3 . 1 . . . . A 683 VAL CA . 31214 1 48 . 1 . 1 13 13 VAL CB C 13 30.424 0.3 . 1 . . . . A 683 VAL CB . 31214 1 49 . 1 . 1 13 13 VAL N N 15 121.754 0.3 . 1 . . . . A 683 VAL N . 31214 1 50 . 1 . 1 14 14 GLY H H 1 8.661 0.020 . 1 . . . . A 684 GLY H . 31214 1 51 . 1 . 1 14 14 GLY C C 13 175.171 0.3 . 1 . . . . A 684 GLY C . 31214 1 52 . 1 . 1 14 14 GLY CA C 13 47.145 0.3 . 1 . . . . A 684 GLY CA . 31214 1 53 . 1 . 1 14 14 GLY N N 15 107.234 0.3 . 1 . . . . A 684 GLY N . 31214 1 54 . 1 . 1 15 15 GLY H H 1 8.557 0.020 . 1 . . . . A 685 GLY H . 31214 1 55 . 1 . 1 15 15 GLY C C 13 174.687 0.3 . 1 . . . . A 685 GLY C . 31214 1 56 . 1 . 1 15 15 GLY CA C 13 46.814 0.3 . 1 . . . . A 685 GLY CA . 31214 1 57 . 1 . 1 15 15 GLY N N 15 108.243 0.3 . 1 . . . . A 685 GLY N . 31214 1 58 . 1 . 1 16 16 THR H H 1 7.931 0.020 . 1 . . . . A 686 THR H . 31214 1 59 . 1 . 1 16 16 THR CA C 13 67.486 0.3 . 1 . . . . A 686 THR CA . 31214 1 60 . 1 . 1 16 16 THR N N 15 118.795 0.3 . 1 . . . . A 686 THR N . 31214 1 61 . 1 . 1 17 17 VAL H H 1 8.230 0.020 . 1 . . . . A 687 VAL H . 31214 1 62 . 1 . 1 17 17 VAL C C 13 177.083 0.3 . 1 . . . . A 687 VAL C . 31214 1 63 . 1 . 1 17 17 VAL CA C 13 66.771 0.3 . 1 . . . . A 687 VAL CA . 31214 1 64 . 1 . 1 17 17 VAL CB C 13 30.222 0.3 . 1 . . . . A 687 VAL CB . 31214 1 65 . 1 . 1 17 17 VAL N N 15 120.256 0.3 . 1 . . . . A 687 VAL N . 31214 1 66 . 1 . 1 18 18 ALA H H 1 8.269 0.020 . 1 . . . . A 688 ALA H . 31214 1 67 . 1 . 1 18 18 ALA C C 13 178.867 0.3 . 1 . . . . A 688 ALA C . 31214 1 68 . 1 . 1 18 18 ALA CA C 13 55.055 0.3 . 1 . . . . A 688 ALA CA . 31214 1 69 . 1 . 1 18 18 ALA CB C 13 17.205 0.3 . 1 . . . . A 688 ALA CB . 31214 1 70 . 1 . 1 18 18 ALA N N 15 120.137 0.3 . 1 . . . . A 688 ALA N . 31214 1 71 . 1 . 1 19 19 GLY H H 1 8.350 0.020 . 1 . . . . A 689 GLY H . 31214 1 72 . 1 . 1 19 19 GLY C C 13 174.389 0.3 . 1 . . . . A 689 GLY C . 31214 1 73 . 1 . 1 19 19 GLY CA C 13 47.053 0.3 . 1 . . . . A 689 GLY CA . 31214 1 74 . 1 . 1 19 19 GLY N N 15 104.289 0.3 . 1 . . . . A 689 GLY N . 31214 1 75 . 1 . 1 20 20 ILE H H 1 8.187 0.020 . 1 . . . . A 690 ILE H . 31214 1 76 . 1 . 1 20 20 ILE C C 13 177.457 0.3 . 1 . . . . A 690 ILE C . 31214 1 77 . 1 . 1 20 20 ILE CA C 13 64.939 0.3 . 1 . . . . A 690 ILE CA . 31214 1 78 . 1 . 1 20 20 ILE CB C 13 36.500 0.3 . 1 . . . . A 690 ILE CB . 31214 1 79 . 1 . 1 20 20 ILE N N 15 121.242 0.3 . 1 . . . . A 690 ILE N . 31214 1 80 . 1 . 1 21 21 VAL H H 1 8.146 0.020 . 1 . . . . A 691 VAL H . 31214 1 81 . 1 . 1 21 21 VAL C C 13 177.253 0.3 . 1 . . . . A 691 VAL C . 31214 1 82 . 1 . 1 21 21 VAL CA C 13 66.549 0.3 . 1 . . . . A 691 VAL CA . 31214 1 83 . 1 . 1 21 21 VAL CB C 13 30.120 0.3 . 1 . . . . A 691 VAL CB . 31214 1 84 . 1 . 1 21 21 VAL N N 15 119.308 0.3 . 1 . . . . A 691 VAL N . 31214 1 85 . 1 . 1 22 22 LEU H H 1 8.281 0.020 . 1 . . . . A 692 LEU H . 31214 1 86 . 1 . 1 22 22 LEU C C 13 178.349 0.3 . 1 . . . . A 692 LEU C . 31214 1 87 . 1 . 1 22 22 LEU CA C 13 58.148 0.3 . 1 . . . . A 692 LEU CA . 31214 1 88 . 1 . 1 22 22 LEU CB C 13 40.609 0.3 . 1 . . . . A 692 LEU CB . 31214 1 89 . 1 . 1 22 22 LEU N N 15 118.885 0.3 . 1 . . . . A 692 LEU N . 31214 1 90 . 1 . 1 23 23 ILE H H 1 8.215 0.020 . 1 . . . . A 693 ILE H . 31214 1 91 . 1 . 1 23 23 ILE C C 13 177.501 0.3 . 1 . . . . A 693 ILE C . 31214 1 92 . 1 . 1 23 23 ILE CA C 13 64.485 0.3 . 1 . . . . A 693 ILE CA . 31214 1 93 . 1 . 1 23 23 ILE CB C 13 35.920 0.3 . 1 . . . . A 693 ILE CB . 31214 1 94 . 1 . 1 23 23 ILE N N 15 118.011 0.3 . 1 . . . . A 693 ILE N . 31214 1 95 . 1 . 1 24 24 GLY H H 1 8.476 0.020 . 1 . . . . A 694 GLY H . 31214 1 96 . 1 . 1 24 24 GLY C C 13 174.477 0.3 . 1 . . . . A 694 GLY C . 31214 1 97 . 1 . 1 24 24 GLY CA C 13 47.461 0.3 . 1 . . . . A 694 GLY CA . 31214 1 98 . 1 . 1 24 24 GLY N N 15 107.797 0.3 . 1 . . . . A 694 GLY N . 31214 1 99 . 1 . 1 25 25 ILE H H 1 8.415 0.020 . 1 . . . . A 695 ILE H . 31214 1 100 . 1 . 1 25 25 ILE C C 13 177.281 0.3 . 1 . . . . A 695 ILE C . 31214 1 101 . 1 . 1 25 25 ILE CA C 13 64.922 0.3 . 1 . . . . A 695 ILE CA . 31214 1 102 . 1 . 1 25 25 ILE CB C 13 36.432 0.3 . 1 . . . . A 695 ILE CB . 31214 1 103 . 1 . 1 25 25 ILE N N 15 120.293 0.3 . 1 . . . . A 695 ILE N . 31214 1 104 . 1 . 1 26 26 LEU H H 1 8.165 0.020 . 1 . . . . A 696 LEU H . 31214 1 105 . 1 . 1 26 26 LEU C C 13 178.404 0.3 . 1 . . . . A 696 LEU C . 31214 1 106 . 1 . 1 26 26 LEU CA C 13 57.911 0.3 . 1 . . . . A 696 LEU CA . 31214 1 107 . 1 . 1 26 26 LEU CB C 13 40.229 0.3 . 1 . . . . A 696 LEU CB . 31214 1 108 . 1 . 1 26 26 LEU N N 15 119.769 0.3 . 1 . . . . A 696 LEU N . 31214 1 109 . 1 . 1 28 28 LEU H H 1 7.981 0.020 . 1 . . . . A 698 LEU H . 31214 1 110 . 1 . 1 28 28 LEU C C 13 178.658 0.3 . 1 . . . . A 698 LEU C . 31214 1 111 . 1 . 1 28 28 LEU CA C 13 57.911 0.3 . 1 . . . . A 698 LEU CA . 31214 1 112 . 1 . 1 28 28 LEU CB C 13 40.782 0.3 . 1 . . . . A 698 LEU CB . 31214 1 113 . 1 . 1 28 28 LEU N N 15 119.416 0.3 . 1 . . . . A 698 LEU N . 31214 1 114 . 1 . 1 29 29 VAL H H 1 8.324 0.020 . 1 . . . . A 699 VAL H . 31214 1 115 . 1 . 1 29 29 VAL C C 13 177.683 0.3 . 1 . . . . A 699 VAL C . 31214 1 116 . 1 . 1 29 29 VAL CA C 13 66.436 0.3 . 1 . . . . A 699 VAL CA . 31214 1 117 . 1 . 1 29 29 VAL CB C 13 30.432 0.3 . 1 . . . . A 699 VAL CB . 31214 1 118 . 1 . 1 29 29 VAL N N 15 118.445 0.3 . 1 . . . . A 699 VAL N . 31214 1 119 . 1 . 1 30 30 ILE H H 1 8.325 0.020 . 1 . . . . A 700 ILE H . 31214 1 120 . 1 . 1 30 30 ILE C C 13 177.027 0.3 . 1 . . . . A 700 ILE C . 31214 1 121 . 1 . 1 30 30 ILE CA C 13 65.197 0.3 . 1 . . . . A 700 ILE CA . 31214 1 122 . 1 . 1 30 30 ILE CB C 13 36.583 0.3 . 1 . . . . A 700 ILE CB . 31214 1 123 . 1 . 1 30 30 ILE N N 15 119.684 0.3 . 1 . . . . A 700 ILE N . 31214 1 124 . 1 . 1 31 31 TRP H H 1 8.681 0.020 . 1 . . . . A 701 TRP H . 31214 1 125 . 1 . 1 31 31 TRP C C 13 177.303 0.3 . 1 . . . . A 701 TRP C . 31214 1 126 . 1 . 1 31 31 TRP CA C 13 60.165 0.3 . 1 . . . . A 701 TRP CA . 31214 1 127 . 1 . 1 31 31 TRP CB C 13 28.770 0.3 . 1 . . . . A 701 TRP CB . 31214 1 128 . 1 . 1 31 31 TRP N N 15 121.022 0.3 . 1 . . . . A 701 TRP N . 31214 1 129 . 1 . 1 32 32 LYS H H 1 8.334 0.020 . 1 . . . . A 702 LYS H . 31214 1 130 . 1 . 1 32 32 LYS C C 13 178.939 0.3 . 1 . . . . A 702 LYS C . 31214 1 131 . 1 . 1 32 32 LYS CA C 13 57.969 0.3 . 1 . . . . A 702 LYS CA . 31214 1 132 . 1 . 1 32 32 LYS CB C 13 30.916 0.3 . 1 . . . . A 702 LYS CB . 31214 1 133 . 1 . 1 32 32 LYS N N 15 115.795 0.3 . 1 . . . . A 702 LYS N . 31214 1 134 . 1 . 1 33 33 ALA H H 1 8.348 0.020 . 1 . . . . A 703 ALA H . 31214 1 135 . 1 . 1 33 33 ALA C C 13 179.093 0.3 . 1 . . . . A 703 ALA C . 31214 1 136 . 1 . 1 33 33 ALA CA C 13 54.664 0.3 . 1 . . . . A 703 ALA CA . 31214 1 137 . 1 . 1 33 33 ALA CB C 13 17.589 0.3 . 1 . . . . A 703 ALA CB . 31214 1 138 . 1 . 1 33 33 ALA N N 15 121.533 0.3 . 1 . . . . A 703 ALA N . 31214 1 139 . 1 . 1 34 34 LEU H H 1 8.321 0.020 . 1 . . . . A 704 LEU H . 31214 1 140 . 1 . 1 34 34 LEU C C 13 179.528 0.3 . 1 . . . . A 704 LEU C . 31214 1 141 . 1 . 1 34 34 LEU CA C 13 57.375 0.3 . 1 . . . . A 704 LEU CA . 31214 1 142 . 1 . 1 34 34 LEU CB C 13 40.482 0.3 . 1 . . . . A 704 LEU CB . 31214 1 143 . 1 . 1 34 34 LEU N N 15 117.760 0.3 . 1 . . . . A 704 LEU N . 31214 1 144 . 1 . 1 35 35 ILE H H 1 7.950 0.020 . 1 . . . . A 705 ILE H . 31214 1 145 . 1 . 1 35 35 ILE C C 13 178.107 0.3 . 1 . . . . A 705 ILE C . 31214 1 146 . 1 . 1 35 35 ILE CA C 13 63.065 0.3 . 1 . . . . A 705 ILE CA . 31214 1 147 . 1 . 1 35 35 ILE CB C 13 36.061 0.3 . 1 . . . . A 705 ILE CB . 31214 1 148 . 1 . 1 35 35 ILE N N 15 118.296 0.3 . 1 . . . . A 705 ILE N . 31214 1 149 . 1 . 1 36 36 HIS H H 1 7.781 0.020 . 1 . . . . A 706 HIS H . 31214 1 150 . 1 . 1 36 36 HIS C C 13 176.405 0.3 . 1 . . . . A 706 HIS C . 31214 1 151 . 1 . 1 36 36 HIS CA C 13 57.625 0.3 . 1 . . . . A 706 HIS CA . 31214 1 152 . 1 . 1 36 36 HIS CB C 13 28.276 0.3 . 1 . . . . A 706 HIS CB . 31214 1 153 . 1 . 1 36 36 HIS N N 15 118.963 0.3 . 1 . . . . A 706 HIS N . 31214 1 154 . 1 . 1 37 37 LEU H H 1 8.008 0.020 . 1 . . . . A 707 LEU H . 31214 1 155 . 1 . 1 37 37 LEU C C 13 177.953 0.3 . 1 . . . . A 707 LEU C . 31214 1 156 . 1 . 1 37 37 LEU CA C 13 56.647 0.3 . 1 . . . . A 707 LEU CA . 31214 1 157 . 1 . 1 37 37 LEU CB C 13 41.009 0.3 . 1 . . . . A 707 LEU CB . 31214 1 158 . 1 . 1 37 37 LEU N N 15 119.669 0.3 . 1 . . . . A 707 LEU N . 31214 1 159 . 1 . 1 38 38 SER H H 1 7.807 0.020 . 1 . . . . A 708 SER H . 31214 1 160 . 1 . 1 38 38 SER C C 13 174.747 0.3 . 1 . . . . A 708 SER C . 31214 1 161 . 1 . 1 38 38 SER CA C 13 59.677 0.3 . 1 . . . . A 708 SER CA . 31214 1 162 . 1 . 1 38 38 SER CB C 13 63.186 0.3 . 1 . . . . A 708 SER CB . 31214 1 163 . 1 . 1 38 38 SER N N 15 113.300 0.3 . 1 . . . . A 708 SER N . 31214 1 164 . 1 . 1 39 39 ASP H H 1 7.763 0.020 . 1 . . . . A 709 ASP H . 31214 1 165 . 1 . 1 39 39 ASP C C 13 176.366 0.3 . 1 . . . . A 709 ASP C . 31214 1 166 . 1 . 1 39 39 ASP CA C 13 54.485 0.3 . 1 . . . . A 709 ASP CA . 31214 1 167 . 1 . 1 39 39 ASP CB C 13 40.119 0.3 . 1 . . . . A 709 ASP CB . 31214 1 168 . 1 . 1 39 39 ASP N N 15 121.311 0.3 . 1 . . . . A 709 ASP N . 31214 1 169 . 1 . 1 40 40 LEU H H 1 7.698 0.020 . 1 . . . . A 710 LEU H . 31214 1 170 . 1 . 1 40 40 LEU C C 13 177.016 0.3 . 1 . . . . A 710 LEU C . 31214 1 171 . 1 . 1 40 40 LEU CA C 13 54.980 0.3 . 1 . . . . A 710 LEU CA . 31214 1 172 . 1 . 1 40 40 LEU CB C 13 40.835 0.3 . 1 . . . . A 710 LEU CB . 31214 1 173 . 1 . 1 40 40 LEU N N 15 120.958 0.3 . 1 . . . . A 710 LEU N . 31214 1 174 . 1 . 1 41 41 ARG H H 1 7.846 0.020 . 1 . . . . A 711 ARG H . 31214 1 175 . 1 . 1 41 41 ARG C C 13 175.733 0.3 . 1 . . . . A 711 ARG C . 31214 1 176 . 1 . 1 41 41 ARG CA C 13 55.603 0.3 . 1 . . . . A 711 ARG CA . 31214 1 177 . 1 . 1 41 41 ARG CB C 13 29.873 0.3 . 1 . . . . A 711 ARG CB . 31214 1 178 . 1 . 1 41 41 ARG N N 15 120.029 0.3 . 1 . . . . A 711 ARG N . 31214 1 179 . 1 . 1 42 42 GLU H H 1 8.063 0.020 . 1 . . . . A 712 GLU H . 31214 1 180 . 1 . 1 42 42 GLU C C 13 174.930 0.3 . 1 . . . . A 712 GLU C . 31214 1 181 . 1 . 1 42 42 GLU CA C 13 55.876 0.3 . 1 . . . . A 712 GLU CA . 31214 1 182 . 1 . 1 42 42 GLU CB C 13 29.405 0.3 . 1 . . . . A 712 GLU CB . 31214 1 183 . 1 . 1 42 42 GLU N N 15 120.981 0.3 . 1 . . . . A 712 GLU N . 31214 1 184 . 1 . 1 43 43 TYR H H 1 7.508 0.020 . 1 . . . . A 713 TYR H . 31214 1 185 . 1 . 1 43 43 TYR C C 13 179.952 0.3 . 1 . . . . A 713 TYR C . 31214 1 186 . 1 . 1 43 43 TYR CA C 13 58.770 0.3 . 1 . . . . A 713 TYR CA . 31214 1 187 . 1 . 1 43 43 TYR CB C 13 38.795 0.3 . 1 . . . . A 713 TYR CB . 31214 1 188 . 1 . 1 43 43 TYR N N 15 125.579 0.3 . 1 . . . . A 713 TYR N . 31214 1 stop_ save_