################################### # 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 26632 _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' . . . 26632 1 2 '3D CBCA(CO)NH' . . . 26632 1 3 '3D HNCACB' . . . 26632 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 . . 26632 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 7 7 HIS C C 13 175.1787 0.0000 . 1 . . . . 7 HIS C . 26632 1 2 . 1 1 7 7 HIS CA C 13 56.0118 0.0000 . 1 . . . . 7 HIS CA . 26632 1 3 . 1 1 8 8 GLY H H 1 8.3616 0.0000 . 1 . . . . 8 GLY H . 26632 1 4 . 1 1 8 8 GLY C C 13 172.7882 0.0000 . 1 . . . . 8 GLY C . 26632 1 5 . 1 1 8 8 GLY CA C 13 45.1501 0.0000 . 1 . . . . 8 GLY CA . 26632 1 6 . 1 1 8 8 GLY N N 15 109.3455 0.0000 . 1 . . . . 8 GLY N . 26632 1 7 . 1 1 9 9 MET H H 1 8.4259 0.0000 . 1 . . . . 9 MET H . 26632 1 8 . 1 1 9 9 MET C C 13 174.2996 0.0000 . 1 . . . . 9 MET C . 26632 1 9 . 1 1 9 9 MET CA C 13 54.6961 0.0000 . 1 . . . . 9 MET CA . 26632 1 10 . 1 1 9 9 MET CB C 13 35.3477 0.0000 . 1 . . . . 9 MET CB . 26632 1 11 . 1 1 9 9 MET N N 15 120.1896 0.0000 . 1 . . . . 9 MET N . 26632 1 12 . 1 1 10 10 THR H H 1 8.0958 0.0000 . 1 . . . . 10 THR H . 26632 1 13 . 1 1 10 10 THR C C 13 174.1459 0.0000 . 1 . . . . 10 THR C . 26632 1 14 . 1 1 10 10 THR CA C 13 63.4654 0.0000 . 1 . . . . 10 THR CA . 26632 1 15 . 1 1 10 10 THR CB C 13 69.3014 0.0000 . 1 . . . . 10 THR CB . 26632 1 16 . 1 1 10 10 THR N N 15 117.0132 0.0000 . 1 . . . . 10 THR N . 26632 1 17 . 1 1 11 11 PHE H H 1 9.4075 0.0000 . 1 . . . . 11 PHE H . 26632 1 18 . 1 1 11 11 PHE C C 13 174.0935 0.0000 . 1 . . . . 11 PHE C . 26632 1 19 . 1 1 11 11 PHE CA C 13 56.8232 0.0000 . 1 . . . . 11 PHE CA . 26632 1 20 . 1 1 11 11 PHE CB C 13 43.2297 0.0000 . 1 . . . . 11 PHE CB . 26632 1 21 . 1 1 11 11 PHE N N 15 126.4440 0.0000 . 1 . . . . 11 PHE N . 26632 1 22 . 1 1 12 12 LYS H H 1 8.7103 0.0000 . 1 . . . . 12 LYS H . 26632 1 23 . 1 1 12 12 LYS C C 13 173.8042 0.0000 . 1 . . . . 12 LYS C . 26632 1 24 . 1 1 12 12 LYS CA C 13 54.7908 0.0000 . 1 . . . . 12 LYS CA . 26632 1 25 . 1 1 12 12 LYS CB C 13 35.8830 0.0000 . 1 . . . . 12 LYS CB . 26632 1 26 . 1 1 12 12 LYS N N 15 122.3065 0.0000 . 1 . . . . 12 LYS N . 26632 1 27 . 1 1 13 13 LEU H H 1 9.0016 0.0000 . 1 . . . . 13 LEU H . 26632 1 28 . 1 1 13 13 LEU C C 13 174.7069 0.0000 . 1 . . . . 13 LEU C . 26632 1 29 . 1 1 13 13 LEU CA C 13 53.0919 0.0000 . 1 . . . . 13 LEU CA . 26632 1 30 . 1 1 13 13 LEU CB C 13 46.7171 0.0000 . 1 . . . . 13 LEU CB . 26632 1 31 . 1 1 13 13 LEU N N 15 125.1577 0.0000 . 1 . . . . 13 LEU N . 26632 1 32 . 1 1 14 14 ILE H H 1 9.3258 0.0000 . 1 . . . . 14 ILE H . 26632 1 33 . 1 1 14 14 ILE C C 13 174.6524 0.0000 . 1 . . . . 14 ILE C . 26632 1 34 . 1 1 14 14 ILE CA C 13 60.7106 0.0000 . 1 . . . . 14 ILE CA . 26632 1 35 . 1 1 14 14 ILE CB C 13 38.0790 0.0000 . 1 . . . . 14 ILE CB . 26632 1 36 . 1 1 14 14 ILE N N 15 127.1238 0.0000 . 1 . . . . 14 ILE N . 26632 1 37 . 1 1 15 15 ILE H H 1 8.7778 0.0000 . 1 . . . . 15 ILE H . 26632 1 38 . 1 1 15 15 ILE C C 13 174.9282 0.0000 . 1 . . . . 15 ILE C . 26632 1 39 . 1 1 15 15 ILE CA C 13 60.7934 0.0000 . 1 . . . . 15 ILE CA . 26632 1 40 . 1 1 15 15 ILE CB C 13 39.2786 0.0000 . 1 . . . . 15 ILE CB . 26632 1 41 . 1 1 15 15 ILE N N 15 126.3429 0.0000 . 1 . . . . 15 ILE N . 26632 1 42 . 1 1 16 16 ASN H H 1 8.9891 0.0000 . 1 . . . . 16 ASN H . 26632 1 43 . 1 1 16 16 ASN C C 13 175.7751 0.0000 . 1 . . . . 16 ASN C . 26632 1 44 . 1 1 16 16 ASN CA C 13 50.9382 0.0000 . 1 . . . . 16 ASN CA . 26632 1 45 . 1 1 16 16 ASN CB C 13 37.9461 0.0000 . 1 . . . . 16 ASN CB . 26632 1 46 . 1 1 16 16 ASN N N 15 129.3951 0.0000 . 1 . . . . 16 ASN N . 26632 1 47 . 1 1 17 17 GLY H H 1 7.9464 0.0000 . 1 . . . . 17 GLY H . 26632 1 48 . 1 1 17 17 GLY C C 13 173.7302 0.0000 . 1 . . . . 17 GLY C . 26632 1 49 . 1 1 17 17 GLY CA C 13 44.6970 0.0000 . 1 . . . . 17 GLY CA . 26632 1 50 . 1 1 17 17 GLY N N 15 110.4336 0.0000 . 1 . . . . 17 GLY N . 26632 1 51 . 1 1 18 18 LYS H H 1 9.5500 0.0000 . 1 . . . . 18 LYS H . 26632 1 52 . 1 1 18 18 LYS C C 13 179.0799 0.0000 . 1 . . . . 18 LYS C . 26632 1 53 . 1 1 18 18 LYS CA C 13 59.2277 0.0000 . 1 . . . . 18 LYS CA . 26632 1 54 . 1 1 18 18 LYS CB C 13 32.6662 0.0000 . 1 . . . . 18 LYS CB . 26632 1 55 . 1 1 18 18 LYS N N 15 121.1000 0.0000 . 1 . . . . 18 LYS N . 26632 1 56 . 1 1 19 19 THR H H 1 8.8627 0.0000 . 1 . . . . 19 THR H . 26632 1 57 . 1 1 19 19 THR C C 13 173.7983 0.0000 . 1 . . . . 19 THR C . 26632 1 58 . 1 1 19 19 THR CA C 13 61.9994 0.0000 . 1 . . . . 19 THR CA . 26632 1 59 . 1 1 19 19 THR CB C 13 69.8928 0.0000 . 1 . . . . 19 THR CB . 26632 1 60 . 1 1 19 19 THR N N 15 108.8068 0.0000 . 1 . . . . 19 THR N . 26632 1 61 . 1 1 20 20 LEU H H 1 7.5895 0.0000 . 1 . . . . 20 LEU H . 26632 1 62 . 1 1 20 20 LEU C C 13 173.6440 0.0000 . 1 . . . . 20 LEU C . 26632 1 63 . 1 1 20 20 LEU CA C 13 55.2006 0.0000 . 1 . . . . 20 LEU CA . 26632 1 64 . 1 1 20 20 LEU CB C 13 43.6979 0.0000 . 1 . . . . 20 LEU CB . 26632 1 65 . 1 1 20 20 LEU N N 15 125.6369 0.0000 . 1 . . . . 20 LEU N . 26632 1 66 . 1 1 21 21 LYS H H 1 8.1502 0.0000 . 1 . . . . 21 LYS H . 26632 1 67 . 1 1 21 21 LYS C C 13 176.5126 0.0000 . 1 . . . . 21 LYS C . 26632 1 68 . 1 1 21 21 LYS CA C 13 53.8273 0.0000 . 1 . . . . 21 LYS CA . 26632 1 69 . 1 1 21 21 LYS CB C 13 34.5418 0.0000 . 1 . . . . 21 LYS CB . 26632 1 70 . 1 1 21 21 LYS N N 15 123.5544 0.0000 . 1 . . . . 21 LYS N . 26632 1 71 . 1 1 22 22 GLY H H 1 8.3839 0.0000 . 1 . . . . 22 GLY H . 26632 1 72 . 1 1 22 22 GLY C C 13 171.4463 0.0000 . 1 . . . . 22 GLY C . 26632 1 73 . 1 1 22 22 GLY CA C 13 45.2878 0.0000 . 1 . . . . 22 GLY CA . 26632 1 74 . 1 1 22 22 GLY N N 15 109.3163 0.0000 . 1 . . . . 22 GLY N . 26632 1 75 . 1 1 23 23 GLU H H 1 8.4866 0.0000 . 1 . . . . 23 GLU H . 26632 1 76 . 1 1 23 23 GLU C C 13 175.2855 0.0000 . 1 . . . . 23 GLU C . 26632 1 77 . 1 1 23 23 GLU CA C 13 54.8758 0.0000 . 1 . . . . 23 GLU CA . 26632 1 78 . 1 1 23 23 GLU CB C 13 34.0575 0.0000 . 1 . . . . 23 GLU CB . 26632 1 79 . 1 1 23 23 GLU N N 15 118.5169 0.0000 . 1 . . . . 23 GLU N . 26632 1 80 . 1 1 24 24 THR H H 1 8.8026 0.0000 . 1 . . . . 24 THR H . 26632 1 81 . 1 1 24 24 THR C C 13 171.9851 0.0000 . 1 . . . . 24 THR C . 26632 1 82 . 1 1 24 24 THR CA C 13 60.9030 0.0000 . 1 . . . . 24 THR CA . 26632 1 83 . 1 1 24 24 THR CB C 13 69.2948 0.0000 . 1 . . . . 24 THR CB . 26632 1 84 . 1 1 24 24 THR N N 15 115.4010 0.0000 . 1 . . . . 24 THR N . 26632 1 85 . 1 1 25 25 THR H H 1 7.8960 0.0000 . 1 . . . . 25 THR H . 26632 1 86 . 1 1 25 25 THR C C 13 173.7648 0.0000 . 1 . . . . 25 THR C . 26632 1 87 . 1 1 25 25 THR CA C 13 59.5928 0.0000 . 1 . . . . 25 THR CA . 26632 1 88 . 1 1 25 25 THR CB C 13 73.2019 0.0000 . 1 . . . . 25 THR CB . 26632 1 89 . 1 1 25 25 THR N N 15 111.6543 0.0000 . 1 . . . . 25 THR N . 26632 1 90 . 1 1 26 26 THR H H 1 9.0769 0.0000 . 1 . . . . 26 THR H . 26632 1 91 . 1 1 26 26 THR C C 13 171.0258 0.0000 . 1 . . . . 26 THR C . 26632 1 92 . 1 1 26 26 THR CA C 13 61.6904 0.0000 . 1 . . . . 26 THR CA . 26632 1 93 . 1 1 26 26 THR CB C 13 70.1418 0.0000 . 1 . . . . 26 THR CB . 26632 1 94 . 1 1 26 26 THR N N 15 114.6885 0.0000 . 1 . . . . 26 THR N . 26632 1 95 . 1 1 27 27 GLU H H 1 8.0713 0.0000 . 1 . . . . 27 GLU H . 26632 1 96 . 1 1 27 27 GLU C C 13 176.4760 0.0000 . 1 . . . . 27 GLU C . 26632 1 97 . 1 1 27 27 GLU CA C 13 54.8330 0.0000 . 1 . . . . 27 GLU CA . 26632 1 98 . 1 1 27 27 GLU CB C 13 31.4430 0.0000 . 1 . . . . 27 GLU CB . 26632 1 99 . 1 1 27 27 GLU N N 15 125.3285 0.0000 . 1 . . . . 27 GLU N . 26632 1 100 . 1 1 28 28 ALA H H 1 9.3969 0.0000 . 1 . . . . 28 ALA H . 26632 1 101 . 1 1 28 28 ALA C C 13 177.3521 0.0000 . 1 . . . . 28 ALA C . 26632 1 102 . 1 1 28 28 ALA CA C 13 51.2102 0.0000 . 1 . . . . 28 ALA CA . 26632 1 103 . 1 1 28 28 ALA CB C 13 23.7470 0.0000 . 1 . . . . 28 ALA CB . 26632 1 104 . 1 1 28 28 ALA N N 15 125.3400 0.0000 . 1 . . . . 28 ALA N . 26632 1 105 . 1 1 29 29 VAL H H 1 8.5544 0.0000 . 1 . . . . 29 VAL H . 26632 1 106 . 1 1 29 29 VAL C C 13 174.7644 0.0000 . 1 . . . . 29 VAL C . 26632 1 107 . 1 1 29 29 VAL CA C 13 63.7210 0.0000 . 1 . . . . 29 VAL CA . 26632 1 108 . 1 1 29 29 VAL CB C 13 32.1776 0.0000 . 1 . . . . 29 VAL CB . 26632 1 109 . 1 1 29 29 VAL N N 15 114.3875 0.0000 . 1 . . . . 29 VAL N . 26632 1 110 . 1 1 30 30 ASP H H 1 7.3213 0.0000 . 1 . . . . 30 ASP H . 26632 1 111 . 1 1 30 30 ASP C C 13 174.3424 0.0000 . 1 . . . . 30 ASP C . 26632 1 112 . 1 1 30 30 ASP CA C 13 52.6812 0.0000 . 1 . . . . 30 ASP CA . 26632 1 113 . 1 1 30 30 ASP CB C 13 42.5245 0.0000 . 1 . . . . 30 ASP CB . 26632 1 114 . 1 1 30 30 ASP N N 15 113.6061 0.0000 . 1 . . . . 30 ASP N . 26632 1 115 . 1 1 31 31 ALA H H 1 8.7246 0.0000 . 1 . . . . 31 ALA H . 26632 1 116 . 1 1 31 31 ALA C C 13 179.0278 0.0000 . 1 . . . . 31 ALA C . 26632 1 117 . 1 1 31 31 ALA CA C 13 54.8225 0.0000 . 1 . . . . 31 ALA CA . 26632 1 118 . 1 1 31 31 ALA CB C 13 17.5984 0.0000 . 1 . . . . 31 ALA CB . 26632 1 119 . 1 1 31 31 ALA N N 15 121.9073 0.0000 . 1 . . . . 31 ALA N . 26632 1 120 . 1 1 32 32 ALA H H 1 8.1569 0.0000 . 1 . . . . 32 ALA H . 26632 1 121 . 1 1 32 32 ALA C C 13 181.0176 0.0000 . 1 . . . . 32 ALA C . 26632 1 122 . 1 1 32 32 ALA CA C 13 55.0021 0.0000 . 1 . . . . 32 ALA CA . 26632 1 123 . 1 1 32 32 ALA CB C 13 18.0399 0.0000 . 1 . . . . 32 ALA CB . 26632 1 124 . 1 1 32 32 ALA N N 15 121.1133 0.0000 . 1 . . . . 32 ALA N . 26632 1 125 . 1 1 33 33 THR H H 1 8.3615 0.0000 . 1 . . . . 33 THR H . 26632 1 126 . 1 1 33 33 THR C C 13 176.2259 0.0000 . 1 . . . . 33 THR C . 26632 1 127 . 1 1 33 33 THR CA C 13 66.6768 0.0000 . 1 . . . . 33 THR CA . 26632 1 128 . 1 1 33 33 THR CB C 13 67.8986 0.0000 . 1 . . . . 33 THR CB . 26632 1 129 . 1 1 33 33 THR N N 15 116.3436 0.0000 . 1 . . . . 33 THR N . 26632 1 130 . 1 1 34 34 ALA H H 1 7.5351 0.0000 . 1 . . . . 34 ALA H . 26632 1 131 . 1 1 34 34 ALA C C 13 178.0898 0.0000 . 1 . . . . 34 ALA C . 26632 1 132 . 1 1 34 34 ALA CA C 13 54.9944 0.0000 . 1 . . . . 34 ALA CA . 26632 1 133 . 1 1 34 34 ALA CB C 13 18.2538 0.0000 . 1 . . . . 34 ALA CB . 26632 1 134 . 1 1 34 34 ALA N N 15 123.2076 0.0000 . 1 . . . . 34 ALA N . 26632 1 135 . 1 1 35 35 GLU H H 1 8.4002 0.0000 . 1 . . . . 35 GLU H . 26632 1 136 . 1 1 35 35 GLU C C 13 177.1184 0.0000 . 1 . . . . 35 GLU C . 26632 1 137 . 1 1 35 35 GLU CA C 13 59.5552 0.0000 . 1 . . . . 35 GLU CA . 26632 1 138 . 1 1 35 35 GLU CB C 13 29.4292 0.0000 . 1 . . . . 35 GLU CB . 26632 1 139 . 1 1 35 35 GLU N N 15 117.0435 0.0000 . 1 . . . . 35 GLU N . 26632 1 140 . 1 1 36 36 LYS H H 1 6.8600 0.0000 . 1 . . . . 36 LYS H . 26632 1 141 . 1 1 36 36 LYS C C 13 179.8558 0.0000 . 1 . . . . 36 LYS C . 26632 1 142 . 1 1 36 36 LYS CA C 13 59.5872 0.0000 . 1 . . . . 36 LYS CA . 26632 1 143 . 1 1 36 36 LYS CB C 13 32.4369 0.0000 . 1 . . . . 36 LYS CB . 26632 1 144 . 1 1 36 36 LYS N N 15 116.1265 0.0000 . 1 . . . . 36 LYS N . 26632 1 145 . 1 1 37 37 VAL H H 1 7.4655 0.0000 . 1 . . . . 37 VAL H . 26632 1 146 . 1 1 37 37 VAL C C 13 179.2773 0.0000 . 1 . . . . 37 VAL C . 26632 1 147 . 1 1 37 37 VAL CA C 13 65.9887 0.0000 . 1 . . . . 37 VAL CA . 26632 1 148 . 1 1 37 37 VAL CB C 13 32.5312 0.0000 . 1 . . . . 37 VAL CB . 26632 1 149 . 1 1 37 37 VAL N N 15 119.7321 0.0000 . 1 . . . . 37 VAL N . 26632 1 150 . 1 1 38 38 LEU H H 1 8.7010 0.0000 . 1 . . . . 38 LEU H . 26632 1 151 . 1 1 38 38 LEU C C 13 179.0311 0.0000 . 1 . . . . 38 LEU C . 26632 1 152 . 1 1 38 38 LEU CA C 13 57.5028 0.0000 . 1 . . . . 38 LEU CA . 26632 1 153 . 1 1 38 38 LEU CB C 13 40.5799 0.0000 . 1 . . . . 38 LEU CB . 26632 1 154 . 1 1 38 38 LEU N N 15 121.8220 0.0000 . 1 . . . . 38 LEU N . 26632 1 155 . 1 1 39 39 LYS H H 1 8.6758 0.0000 . 1 . . . . 39 LYS H . 26632 1 156 . 1 1 39 39 LYS C C 13 179.4809 0.0000 . 1 . . . . 39 LYS C . 26632 1 157 . 1 1 39 39 LYS CA C 13 59.8749 0.0000 . 1 . . . . 39 LYS CA . 26632 1 158 . 1 1 39 39 LYS CB C 13 31.7352 0.0000 . 1 . . . . 39 LYS CB . 26632 1 159 . 1 1 39 39 LYS N N 15 121.1115 0.0000 . 1 . . . . 39 LYS N . 26632 1 160 . 1 1 40 40 GLN H H 1 7.4401 0.0000 . 1 . . . . 40 GLN H . 26632 1 161 . 1 1 40 40 GLN C C 13 177.2442 0.0000 . 1 . . . . 40 GLN C . 26632 1 162 . 1 1 40 40 GLN CA C 13 58.7896 0.0000 . 1 . . . . 40 GLN CA . 26632 1 163 . 1 1 40 40 GLN CB C 13 28.0684 0.0000 . 1 . . . . 40 GLN CB . 26632 1 164 . 1 1 40 40 GLN N N 15 120.1325 0.0000 . 1 . . . . 40 GLN N . 26632 1 165 . 1 1 41 41 TYR H H 1 7.9863 0.0000 . 1 . . . . 41 TYR H . 26632 1 166 . 1 1 41 41 TYR C C 13 178.8830 0.0000 . 1 . . . . 41 TYR C . 26632 1 167 . 1 1 41 41 TYR CA C 13 61.8297 0.0000 . 1 . . . . 41 TYR CA . 26632 1 168 . 1 1 41 41 TYR CB C 13 37.7648 0.0000 . 1 . . . . 41 TYR CB . 26632 1 169 . 1 1 41 41 TYR N N 15 120.7344 0.0000 . 1 . . . . 41 TYR N . 26632 1 170 . 1 1 42 42 ALA H H 1 8.6483 0.0000 . 1 . . . . 42 ALA H . 26632 1 171 . 1 1 42 42 ALA C C 13 179.4229 0.0000 . 1 . . . . 42 ALA C . 26632 1 172 . 1 1 42 42 ALA CA C 13 56.2022 0.0000 . 1 . . . . 42 ALA CA . 26632 1 173 . 1 1 42 42 ALA CB C 13 17.9190 0.0000 . 1 . . . . 42 ALA CB . 26632 1 174 . 1 1 42 42 ALA N N 15 122.8490 0.0000 . 1 . . . . 42 ALA N . 26632 1 175 . 1 1 43 43 ASN H H 1 8.6219 0.0000 . 1 . . . . 43 ASN H . 26632 1 176 . 1 1 43 43 ASN C C 13 179.3325 0.0000 . 1 . . . . 43 ASN C . 26632 1 177 . 1 1 43 43 ASN CA C 13 56.9088 0.0000 . 1 . . . . 43 ASN CA . 26632 1 178 . 1 1 43 43 ASN CB C 13 38.7723 0.0000 . 1 . . . . 43 ASN CB . 26632 1 179 . 1 1 43 43 ASN N N 15 118.6827 0.0000 . 1 . . . . 43 ASN N . 26632 1 180 . 1 1 44 44 ASP H H 1 8.9342 0.0000 . 1 . . . . 44 ASP H . 26632 1 181 . 1 1 44 44 ASP C C 13 177.0921 0.0000 . 1 . . . . 44 ASP C . 26632 1 182 . 1 1 44 44 ASP CA C 13 56.9366 0.0000 . 1 . . . . 44 ASP CA . 26632 1 183 . 1 1 44 44 ASP CB C 13 40.0903 0.0000 . 1 . . . . 44 ASP CB . 26632 1 184 . 1 1 44 44 ASP N N 15 121.8088 0.0000 . 1 . . . . 44 ASP N . 26632 1 185 . 1 1 45 45 ASN H H 1 7.3840 0.0000 . 1 . . . . 45 ASN H . 26632 1 186 . 1 1 45 45 ASN C C 13 173.9668 0.0000 . 1 . . . . 45 ASN C . 26632 1 187 . 1 1 45 45 ASN CA C 13 53.7918 0.0000 . 1 . . . . 45 ASN CA . 26632 1 188 . 1 1 45 45 ASN CB C 13 40.1238 0.0000 . 1 . . . . 45 ASN CB . 26632 1 189 . 1 1 45 45 ASN N N 15 115.9244 0.0000 . 1 . . . . 45 ASN N . 26632 1 190 . 1 1 46 46 GLY H H 1 7.8473 0.0000 . 1 . . . . 46 GLY H . 26632 1 191 . 1 1 46 46 GLY C C 13 174.1995 0.0000 . 1 . . . . 46 GLY C . 26632 1 192 . 1 1 46 46 GLY CA C 13 46.8468 0.0000 . 1 . . . . 46 GLY CA . 26632 1 193 . 1 1 46 46 GLY N N 15 108.1943 0.0000 . 1 . . . . 46 GLY N . 26632 1 194 . 1 1 47 47 ILE H H 1 8.0893 0.0000 . 1 . . . . 47 ILE H . 26632 1 195 . 1 1 47 47 ILE C C 13 174.6623 0.0000 . 1 . . . . 47 ILE C . 26632 1 196 . 1 1 47 47 ILE CA C 13 59.3134 0.0000 . 1 . . . . 47 ILE CA . 26632 1 197 . 1 1 47 47 ILE CB C 13 38.3306 0.0000 . 1 . . . . 47 ILE CB . 26632 1 198 . 1 1 47 47 ILE N N 15 121.0484 0.0000 . 1 . . . . 47 ILE N . 26632 1 199 . 1 1 48 48 ASP H H 1 8.8501 0.0000 . 1 . . . . 48 ASP H . 26632 1 200 . 1 1 48 48 ASP C C 13 174.3318 0.0000 . 1 . . . . 48 ASP C . 26632 1 201 . 1 1 48 48 ASP CA C 13 52.9498 0.0000 . 1 . . . . 48 ASP CA . 26632 1 202 . 1 1 48 48 ASP CB C 13 43.2236 0.0000 . 1 . . . . 48 ASP CB . 26632 1 203 . 1 1 48 48 ASP N N 15 128.6263 0.0000 . 1 . . . . 48 ASP N . 26632 1 204 . 1 1 49 49 GLY H H 1 8.0407 0.0000 . 1 . . . . 49 GLY H . 26632 1 205 . 1 1 49 49 GLY C C 13 171.9352 0.0000 . 1 . . . . 49 GLY C . 26632 1 206 . 1 1 49 49 GLY CA C 13 45.4297 0.0000 . 1 . . . . 49 GLY CA . 26632 1 207 . 1 1 49 49 GLY N N 15 107.5352 0.0000 . 1 . . . . 49 GLY N . 26632 1 208 . 1 1 50 50 GLU H H 1 8.2329 0.0000 . 1 . . . . 50 GLU H . 26632 1 209 . 1 1 50 50 GLU C C 13 177.0925 0.0000 . 1 . . . . 50 GLU C . 26632 1 210 . 1 1 50 50 GLU CA C 13 55.6048 0.0000 . 1 . . . . 50 GLU CA . 26632 1 211 . 1 1 50 50 GLU CB C 13 31.6603 0.0000 . 1 . . . . 50 GLU CB . 26632 1 212 . 1 1 50 50 GLU N N 15 120.3918 0.0000 . 1 . . . . 50 GLU N . 26632 1 213 . 1 1 51 51 TRP H H 1 9.3501 0.0000 . 1 . . . . 51 TRP H . 26632 1 214 . 1 1 51 51 TRP C C 13 177.0548 0.0000 . 1 . . . . 51 TRP C . 26632 1 215 . 1 1 51 51 TRP CA C 13 58.0477 0.0000 . 1 . . . . 51 TRP CA . 26632 1 216 . 1 1 51 51 TRP CB C 13 30.4929 0.0000 . 1 . . . . 51 TRP CB . 26632 1 217 . 1 1 51 51 TRP N N 15 128.7270 0.0000 . 1 . . . . 51 TRP N . 26632 1 218 . 1 1 52 52 THR H H 1 9.2670 0.0000 . 1 . . . . 52 THR H . 26632 1 219 . 1 1 52 52 THR C C 13 172.7184 0.0000 . 1 . . . . 52 THR C . 26632 1 220 . 1 1 52 52 THR CA C 13 60.5092 0.0000 . 1 . . . . 52 THR CA . 26632 1 221 . 1 1 52 52 THR CB C 13 72.3052 0.0000 . 1 . . . . 52 THR CB . 26632 1 222 . 1 1 52 52 THR N N 15 114.9282 0.0000 . 1 . . . . 52 THR N . 26632 1 223 . 1 1 53 53 TYR H H 1 8.5699 0.0000 . 1 . . . . 53 TYR H . 26632 1 224 . 1 1 53 53 TYR C C 13 173.2254 0.0000 . 1 . . . . 53 TYR C . 26632 1 225 . 1 1 53 53 TYR CA C 13 56.9247 0.0000 . 1 . . . . 53 TYR CA . 26632 1 226 . 1 1 53 53 TYR CB C 13 41.6712 0.0000 . 1 . . . . 53 TYR CB . 26632 1 227 . 1 1 53 53 TYR N N 15 120.5114 0.0000 . 1 . . . . 53 TYR N . 26632 1 228 . 1 1 54 54 ASP H H 1 7.6935 0.0000 . 1 . . . . 54 ASP H . 26632 1 229 . 1 1 54 54 ASP C C 13 174.4850 0.0000 . 1 . . . . 54 ASP C . 26632 1 230 . 1 1 54 54 ASP CA C 13 51.8721 0.0000 . 1 . . . . 54 ASP CA . 26632 1 231 . 1 1 54 54 ASP CB C 13 43.0605 0.0000 . 1 . . . . 54 ASP CB . 26632 1 232 . 1 1 54 54 ASP N N 15 128.5768 0.0000 . 1 . . . . 54 ASP N . 26632 1 233 . 1 1 55 55 ASP H H 1 8.5144 0.0000 . 1 . . . . 55 ASP H . 26632 1 234 . 1 1 55 55 ASP C C 13 178.1222 0.0000 . 1 . . . . 55 ASP C . 26632 1 235 . 1 1 55 55 ASP CA C 13 56.3309 0.0000 . 1 . . . . 55 ASP CA . 26632 1 236 . 1 1 55 55 ASP CB C 13 42.1826 0.0000 . 1 . . . . 55 ASP CB . 26632 1 237 . 1 1 55 55 ASP N N 15 125.0239 0.0000 . 1 . . . . 55 ASP N . 26632 1 238 . 1 1 56 56 ALA H H 1 8.2822 0.0000 . 1 . . . . 56 ALA H . 26632 1 239 . 1 1 56 56 ALA C C 13 179.8358 0.0000 . 1 . . . . 56 ALA C . 26632 1 240 . 1 1 56 56 ALA CA C 13 55.0847 0.0000 . 1 . . . . 56 ALA CA . 26632 1 241 . 1 1 56 56 ALA CB C 13 18.3793 0.0000 . 1 . . . . 56 ALA CB . 26632 1 242 . 1 1 56 56 ALA N N 15 119.8068 0.0000 . 1 . . . . 56 ALA N . 26632 1 243 . 1 1 57 57 THR H H 1 6.9614 0.0000 . 1 . . . . 57 THR H . 26632 1 244 . 1 1 57 57 THR C C 13 175.1739 0.0000 . 1 . . . . 57 THR C . 26632 1 245 . 1 1 57 57 THR CA C 13 60.3454 0.0000 . 1 . . . . 57 THR CA . 26632 1 246 . 1 1 57 57 THR CB C 13 70.1482 0.0000 . 1 . . . . 57 THR CB . 26632 1 247 . 1 1 57 57 THR N N 15 103.1660 0.0000 . 1 . . . . 57 THR N . 26632 1 248 . 1 1 58 58 LYS H H 1 7.8002 0.0000 . 1 . . . . 58 LYS H . 26632 1 249 . 1 1 58 58 LYS C C 13 174.8056 0.0000 . 1 . . . . 58 LYS C . 26632 1 250 . 1 1 58 58 LYS CA C 13 56.7839 0.0000 . 1 . . . . 58 LYS CA . 26632 1 251 . 1 1 58 58 LYS CB C 13 29.4736 0.0000 . 1 . . . . 58 LYS CB . 26632 1 252 . 1 1 58 58 LYS N N 15 123.6450 0.0000 . 1 . . . . 58 LYS N . 26632 1 253 . 1 1 59 59 THR H H 1 7.3592 0.0000 . 1 . . . . 59 THR H . 26632 1 254 . 1 1 59 59 THR C C 13 174.7788 0.0000 . 1 . . . . 59 THR C . 26632 1 255 . 1 1 59 59 THR CA C 13 62.3110 0.0000 . 1 . . . . 59 THR CA . 26632 1 256 . 1 1 59 59 THR CB C 13 72.1056 0.0000 . 1 . . . . 59 THR CB . 26632 1 257 . 1 1 59 59 THR N N 15 111.2889 0.0000 . 1 . . . . 59 THR N . 26632 1 258 . 1 1 60 60 PHE H H 1 10.3648 0.0000 . 1 . . . . 60 PHE H . 26632 1 259 . 1 1 60 60 PHE C C 13 174.6370 0.0000 . 1 . . . . 60 PHE C . 26632 1 260 . 1 1 60 60 PHE CA C 13 57.3561 0.0000 . 1 . . . . 60 PHE CA . 26632 1 261 . 1 1 60 60 PHE CB C 13 42.7100 0.0000 . 1 . . . . 60 PHE CB . 26632 1 262 . 1 1 60 60 PHE N N 15 131.2287 0.0000 . 1 . . . . 60 PHE N . 26632 1 263 . 1 1 61 61 THR H H 1 9.1171 0.0000 . 1 . . . . 61 THR H . 26632 1 264 . 1 1 61 61 THR C C 13 172.5272 0.0000 . 1 . . . . 61 THR C . 26632 1 265 . 1 1 61 61 THR CA C 13 61.7048 0.0000 . 1 . . . . 61 THR CA . 26632 1 266 . 1 1 61 61 THR CB C 13 71.0007 0.0000 . 1 . . . . 61 THR CB . 26632 1 267 . 1 1 61 61 THR N N 15 117.7394 0.0000 . 1 . . . . 61 THR N . 26632 1 268 . 1 1 62 62 VAL H H 1 8.3938 0.0000 . 1 . . . . 62 VAL H . 26632 1 269 . 1 1 62 62 VAL C C 13 172.8471 0.0000 . 1 . . . . 62 VAL C . 26632 1 270 . 1 1 62 62 VAL CA C 13 57.7101 0.0000 . 1 . . . . 62 VAL CA . 26632 1 271 . 1 1 62 62 VAL CB C 13 32.7502 0.0000 . 1 . . . . 62 VAL CB . 26632 1 272 . 1 1 62 62 VAL N N 15 123.5842 0.0000 . 1 . . . . 62 VAL N . 26632 1 273 . 1 1 63 63 THR H H 1 8.4385 0.0000 . 1 . . . . 63 THR H . 26632 1 274 . 1 1 63 63 THR C C 13 174.3062 0.0000 . 1 . . . . 63 THR C . 26632 1 275 . 1 1 63 63 THR CA C 13 61.2850 0.0000 . 1 . . . . 63 THR CA . 26632 1 276 . 1 1 63 63 THR CB C 13 70.7455 0.0000 . 1 . . . . 63 THR CB . 26632 1 277 . 1 1 63 63 THR N N 15 124.7751 0.0000 . 1 . . . . 63 THR N . 26632 1 278 . 1 1 64 64 GLU H H 1 7.8469 0.0000 . 1 . . . . 64 GLU H . 26632 1 279 . 1 1 64 64 GLU CA C 13 58.3901 0.0000 . 1 . . . . 64 GLU CA . 26632 1 280 . 1 1 64 64 GLU CB C 13 32.8802 0.0000 . 1 . . . . 64 GLU CB . 26632 1 281 . 1 1 64 64 GLU N N 15 133.6581 0.0000 . 1 . . . . 64 GLU N . 26632 1 stop_ save_