################################### # 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 52982 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name RII _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' . . . 52982 1 2 '3D HNCA' . . . 52982 1 3 '3D HN(CA)CO' . . . 52982 1 4 '3D CBCA(CO)NH' . . . 52982 1 5 '3D HNCACB' . . . 52982 1 6 '3D HNCO' . . . 52982 1 7 '3D HN(CO)CA' . . . 52982 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 . . 52982 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 8.374 0.020 . 1 . . . . . 43 MET H . 52982 1 2 . 1 . 1 1 1 MET C C 13 172.967 0.3 . 1 . . . . . 43 MET C . 52982 1 3 . 1 . 1 1 1 MET CA C 13 52.389 0.3 . 1 . . . . . 43 MET CA . 52982 1 4 . 1 . 1 1 1 MET CB C 13 29.919 0.3 . 1 . . . . . 43 MET CB . 52982 1 5 . 1 . 1 1 1 MET N N 15 122.574 0.3 . 1 . . . . . 43 MET N . 52982 1 6 . 1 . 1 2 2 ARG H H 1 8.364 0.020 . 1 . . . . . 44 ARG H . 52982 1 7 . 1 . 1 2 2 ARG C C 13 172.716 0.3 . 1 . . . . . 44 ARG C . 52982 1 8 . 1 . 1 2 2 ARG CA C 13 52.722 0.3 . 1 . . . . . 44 ARG CA . 52982 1 9 . 1 . 1 2 2 ARG CB C 13 27.914 0.3 . 1 . . . . . 44 ARG CB . 52982 1 10 . 1 . 1 2 2 ARG N N 15 123.565 0.3 . 1 . . . . . 44 ARG N . 52982 1 11 . 1 . 1 3 3 ALA H H 1 8.292 0.020 . 1 . . . . . 45 ALA H . 52982 1 12 . 1 . 1 3 3 ALA C C 13 172.572 0.3 . 1 . . . . . 45 ALA C . 52982 1 13 . 1 . 1 3 3 ALA CA C 13 47.428 0.3 . 1 . . . . . 45 ALA CA . 52982 1 14 . 1 . 1 3 3 ALA CB C 13 14.940 0.3 . 1 . . . . . 45 ALA CB . 52982 1 15 . 1 . 1 3 3 ALA N N 15 127.311 0.3 . 1 . . . . . 45 ALA N . 52982 1 16 . 1 . 1 5 5 ALA H H 1 8.269 0.020 . 1 . . . . . 47 ALA H . 52982 1 17 . 1 . 1 5 5 ALA C C 13 174.909 0.3 . 1 . . . . . 47 ALA C . 52982 1 18 . 1 . 1 5 5 ALA CA C 13 49.443 0.3 . 1 . . . . . 47 ALA CA . 52982 1 19 . 1 . 1 5 5 ALA CB C 13 15.998 0.3 . 1 . . . . . 47 ALA CB . 52982 1 20 . 1 . 1 5 5 ALA N N 15 124.061 0.3 . 1 . . . . . 47 ALA N . 52982 1 21 . 1 . 1 6 6 SER H H 1 8.116 0.020 . 1 . . . . . 48 SER H . 52982 1 22 . 1 . 1 6 6 SER C C 13 171.436 0.3 . 1 . . . . . 48 SER C . 52982 1 23 . 1 . 1 6 6 SER CA C 13 55.305 0.3 . 1 . . . . . 48 SER CA . 52982 1 24 . 1 . 1 6 6 SER CB C 13 60.824 0.3 . 1 . . . . . 48 SER CB . 52982 1 25 . 1 . 1 6 6 SER N N 15 115.131 0.3 . 1 . . . . . 48 SER N . 52982 1 26 . 1 . 1 7 7 VAL H H 1 7.990 0.020 . 1 . . . . . 49 VAL H . 52982 1 27 . 1 . 1 7 7 VAL C C 13 173.025 0.3 . 1 . . . . . 49 VAL C . 52982 1 28 . 1 . 1 7 7 VAL CA C 13 59.080 0.3 . 1 . . . . . 49 VAL CA . 52982 1 29 . 1 . 1 7 7 VAL CB C 13 29.752 0.3 . 1 . . . . . 49 VAL CB . 52982 1 30 . 1 . 1 7 7 VAL N N 15 121.780 0.3 . 1 . . . . . 49 VAL N . 52982 1 31 . 1 . 1 8 8 LEU H H 1 8.177 0.020 . 1 . . . . . 50 LEU H . 52982 1 32 . 1 . 1 8 8 LEU C C 13 172.148 0.3 . 1 . . . . . 50 LEU C . 52982 1 33 . 1 . 1 8 8 LEU CA C 13 49.965 0.3 . 1 . . . . . 50 LEU CA . 52982 1 34 . 1 . 1 8 8 LEU CB C 13 38.494 0.3 . 1 . . . . . 50 LEU CB . 52982 1 35 . 1 . 1 8 8 LEU N N 15 127.586 0.3 . 1 . . . . . 50 LEU N . 52982 1 36 . 1 . 1 10 10 ALA H H 1 8.194 0.020 . 1 . . . . . 52 ALA H . 52982 1 37 . 1 . 1 10 10 ALA C C 13 174.614 0.3 . 1 . . . . . 52 ALA C . 52982 1 38 . 1 . 1 10 10 ALA CA C 13 49.297 0.3 . 1 . . . . . 52 ALA CA . 52982 1 39 . 1 . 1 10 10 ALA CB C 13 16.053 0.3 . 1 . . . . . 52 ALA CB . 52982 1 40 . 1 . 1 10 10 ALA N N 15 124.334 0.3 . 1 . . . . . 52 ALA N . 52982 1 41 . 1 . 1 11 11 ALA H H 1 8.164 0.020 . 1 . . . . . 53 ALA H . 52982 1 42 . 1 . 1 11 11 ALA C C 13 174.751 0.3 . 1 . . . . . 53 ALA C . 52982 1 43 . 1 . 1 11 11 ALA CA C 13 49.130 0.3 . 1 . . . . . 53 ALA CA . 52982 1 44 . 1 . 1 11 11 ALA CB C 13 16.109 0.3 . 1 . . . . . 53 ALA CB . 52982 1 45 . 1 . 1 11 11 ALA N N 15 123.407 0.3 . 1 . . . . . 53 ALA N . 52982 1 46 . 1 . 1 12 12 THR H H 1 8.009 0.020 . 1 . . . . . 54 THR H . 52982 1 47 . 1 . 1 12 12 THR C C 13 169.954 0.3 . 1 . . . . . 54 THR C . 52982 1 48 . 1 . 1 12 12 THR CA C 13 57.037 0.3 . 1 . . . . . 54 THR CA . 52982 1 49 . 1 . 1 12 12 THR CB C 13 66.726 0.3 . 1 . . . . . 54 THR CB . 52982 1 50 . 1 . 1 12 12 THR N N 15 116.443 0.3 . 1 . . . . . 54 THR N . 52982 1 51 . 1 . 1 14 14 ARG H H 1 8.303 0.020 . 1 . . . . . 56 ARG H . 52982 1 52 . 1 . 1 14 14 ARG C C 13 173.571 0.3 . 1 . . . . . 56 ARG C . 52982 1 53 . 1 . 1 14 14 ARG CA C 13 53.446 0.3 . 1 . . . . . 56 ARG CA . 52982 1 54 . 1 . 1 14 14 ARG CB C 13 27.580 0.3 . 1 . . . . . 56 ARG CB . 52982 1 55 . 1 . 1 14 14 ARG N N 15 121.483 0.3 . 1 . . . . . 56 ARG N . 52982 1 56 . 1 . 1 15 15 GLN H H 1 8.230 0.020 . 1 . . . . . 57 GLN H . 52982 1 57 . 1 . 1 15 15 GLN C C 13 172.723 0.3 . 1 . . . . . 57 GLN C . 52982 1 58 . 1 . 1 15 15 GLN CA C 13 53.362 0.3 . 1 . . . . . 57 GLN CA . 52982 1 59 . 1 . 1 15 15 GLN CB C 13 27.302 0.3 . 1 . . . . . 57 GLN CB . 52982 1 60 . 1 . 1 15 15 GLN N N 15 121.673 0.3 . 1 . . . . . 57 GLN N . 52982 1 61 . 1 . 1 16 16 ALA H H 1 8.238 0.020 . 1 . . . . . 58 ALA H . 52982 1 62 . 1 . 1 16 16 ALA C C 13 174.715 0.3 . 1 . . . . . 58 ALA C . 52982 1 63 . 1 . 1 16 16 ALA CA C 13 49.331 0.3 . 1 . . . . . 58 ALA CA . 52982 1 64 . 1 . 1 16 16 ALA CB C 13 15.998 0.3 . 1 . . . . . 58 ALA CB . 52982 1 65 . 1 . 1 16 16 ALA N N 15 125.798 0.3 . 1 . . . . . 58 ALA N . 52982 1 66 . 1 . 1 17 17 LEU H H 1 8.071 0.020 . 1 . . . . . 59 LEU H . 52982 1 67 . 1 . 1 17 17 LEU C C 13 175.046 0.3 . 1 . . . . . 59 LEU C . 52982 1 68 . 1 . 1 17 17 LEU CA C 13 52.281 0.3 . 1 . . . . . 59 LEU CA . 52982 1 69 . 1 . 1 17 17 LEU CB C 13 39.385 0.3 . 1 . . . . . 59 LEU CB . 52982 1 70 . 1 . 1 17 17 LEU N N 15 121.385 0.3 . 1 . . . . . 59 LEU N . 52982 1 71 . 1 . 1 18 18 GLY H H 1 8.218 0.020 . 1 . . . . . 60 GLY H . 52982 1 72 . 1 . 1 18 18 GLY C C 13 170.530 0.3 . 1 . . . . . 60 GLY C . 52982 1 73 . 1 . 1 18 18 GLY CA C 13 41.947 0.3 . 1 . . . . . 60 GLY CA . 52982 1 74 . 1 . 1 18 18 GLY N N 15 109.144 0.3 . 1 . . . . . 60 GLY N . 52982 1 75 . 1 . 1 19 19 HIS H H 1 7.931 0.020 . 1 . . . . . 61 HIS H . 52982 1 76 . 1 . 1 19 19 HIS C C 13 169.609 0.3 . 1 . . . . . 61 HIS C . 52982 1 77 . 1 . 1 19 19 HIS CA C 13 50.664 0.3 . 1 . . . . . 61 HIS CA . 52982 1 78 . 1 . 1 19 19 HIS CB C 13 26.411 0.3 . 1 . . . . . 61 HIS CB . 52982 1 79 . 1 . 1 19 19 HIS N N 15 119.031 0.3 . 1 . . . . . 61 HIS N . 52982 1 80 . 1 . 1 23 23 GLU H H 1 8.274 0.020 . 1 . . . . . 65 GLU H . 52982 1 81 . 1 . 1 23 23 GLU C C 13 171.795 0.3 . 1 . . . . . 65 GLU C . 52982 1 82 . 1 . 1 23 23 GLU CA C 13 51.212 0.3 . 1 . . . . . 65 GLU CA . 52982 1 83 . 1 . 1 23 23 GLU CB C 13 26.578 0.3 . 1 . . . . . 65 GLU CB . 52982 1 84 . 1 . 1 23 23 GLU N N 15 122.162 0.3 . 1 . . . . . 65 GLU N . 52982 1 85 . 1 . 1 25 25 GLY H H 1 8.174 0.020 . 1 . . . . . 67 GLY H . 52982 1 86 . 1 . 1 25 25 GLY C C 13 172.522 0.3 . 1 . . . . . 67 GLY C . 52982 1 87 . 1 . 1 25 25 GLY CA C 13 41.464 0.3 . 1 . . . . . 67 GLY CA . 52982 1 88 . 1 . 1 25 25 GLY N N 15 109.226 0.3 . 1 . . . . . 67 GLY N . 52982 1 89 . 1 . 1 27 27 ASP H H 1 8.283 0.020 . 1 . . . . . 69 ASP H . 52982 1 90 . 1 . 1 27 27 ASP C C 13 173.183 0.3 . 1 . . . . . 69 ASP C . 52982 1 91 . 1 . 1 27 27 ASP CA C 13 51.397 0.3 . 1 . . . . . 69 ASP CA . 52982 1 92 . 1 . 1 27 27 ASP CB C 13 37.937 0.3 . 1 . . . . . 69 ASP CB . 52982 1 93 . 1 . 1 27 27 ASP N N 15 119.867 0.3 . 1 . . . . . 69 ASP N . 52982 1 94 . 1 . 1 28 28 ARG H H 1 8.011 0.020 . 1 . . . . . 70 ARG H . 52982 1 95 . 1 . 1 28 28 ARG C C 13 173.291 0.3 . 1 . . . . . 70 ARG C . 52982 1 96 . 1 . 1 28 28 ARG CA C 13 52.950 0.3 . 1 . . . . . 70 ARG CA . 52982 1 97 . 1 . 1 28 28 ARG CB C 13 27.803 0.3 . 1 . . . . . 70 ARG CB . 52982 1 98 . 1 . 1 28 28 ARG N N 15 121.332 0.3 . 1 . . . . . 70 ARG N . 52982 1 99 . 1 . 1 29 29 VAL H H 1 8.074 0.020 . 1 . . . . . 71 VAL H . 52982 1 100 . 1 . 1 29 29 VAL C C 13 173.241 0.3 . 1 . . . . . 71 VAL C . 52982 1 101 . 1 . 1 29 29 VAL CA C 13 59.599 0.3 . 1 . . . . . 71 VAL CA . 52982 1 102 . 1 . 1 29 29 VAL CB C 13 29.585 0.3 . 1 . . . . . 71 VAL CB . 52982 1 103 . 1 . 1 29 29 VAL N N 15 122.313 0.3 . 1 . . . . . 71 VAL N . 52982 1 104 . 1 . 1 30 30 ALA H H 1 8.242 0.020 . 1 . . . . . 72 ALA H . 52982 1 105 . 1 . 1 30 30 ALA C C 13 174.657 0.3 . 1 . . . . . 72 ALA C . 52982 1 106 . 1 . 1 30 30 ALA CA C 13 49.715 0.3 . 1 . . . . . 72 ALA CA . 52982 1 107 . 1 . 1 30 30 ALA CB C 13 16.053 0.3 . 1 . . . . . 72 ALA CB . 52982 1 108 . 1 . 1 30 30 ALA N N 15 127.549 0.3 . 1 . . . . . 72 ALA N . 52982 1 109 . 1 . 1 31 31 ASP H H 1 8.089 0.020 . 1 . . . . . 73 ASP H . 52982 1 110 . 1 . 1 31 31 ASP C C 13 173.118 0.3 . 1 . . . . . 73 ASP C . 52982 1 111 . 1 . 1 31 31 ASP CA C 13 51.246 0.3 . 1 . . . . . 73 ASP CA . 52982 1 112 . 1 . 1 31 31 ASP CB C 13 38.104 0.3 . 1 . . . . . 73 ASP CB . 52982 1 113 . 1 . 1 31 31 ASP N N 15 119.738 0.3 . 1 . . . . . 73 ASP N . 52982 1 114 . 1 . 1 32 32 ALA H H 1 8.034 0.020 . 1 . . . . . 74 ALA H . 52982 1 115 . 1 . 1 32 32 ALA C C 13 174.988 0.3 . 1 . . . . . 74 ALA C . 52982 1 116 . 1 . 1 32 32 ALA CA C 13 49.637 0.3 . 1 . . . . . 74 ALA CA . 52982 1 117 . 1 . 1 32 32 ALA CB C 13 15.998 0.3 . 1 . . . . . 74 ALA CB . 52982 1 118 . 1 . 1 32 32 ALA N N 15 124.430 0.3 . 1 . . . . . 74 ALA N . 52982 1 119 . 1 . 1 33 33 LYS H H 1 8.195 0.020 . 1 . . . . . 75 LYS H . 52982 1 120 . 1 . 1 33 33 LYS C C 13 174.442 0.3 . 1 . . . . . 75 LYS C . 52982 1 121 . 1 . 1 33 33 LYS CA C 13 53.640 0.3 . 1 . . . . . 75 LYS CA . 52982 1 122 . 1 . 1 33 33 LYS CB C 13 30.030 0.3 . 1 . . . . . 75 LYS CB . 52982 1 123 . 1 . 1 33 33 LYS N N 15 120.555 0.3 . 1 . . . . . 75 LYS N . 52982 1 124 . 1 . 1 34 34 GLY H H 1 8.202 0.020 . 1 . . . . . 76 GLY H . 52982 1 125 . 1 . 1 34 34 GLY C C 13 171.047 0.3 . 1 . . . . . 76 GLY C . 52982 1 126 . 1 . 1 34 34 GLY CA C 13 42.268 0.3 . 1 . . . . . 76 GLY CA . 52982 1 127 . 1 . 1 34 34 GLY N N 15 109.670 0.3 . 1 . . . . . 76 GLY N . 52982 1 128 . 1 . 1 35 35 ASP H H 1 8.099 0.020 . 1 . . . . . 77 ASP H . 52982 1 129 . 1 . 1 35 35 ASP C C 13 173.291 0.3 . 1 . . . . . 77 ASP C . 52982 1 130 . 1 . 1 35 35 ASP CA C 13 51.332 0.3 . 1 . . . . . 77 ASP CA . 52982 1 131 . 1 . 1 35 35 ASP CB C 13 38.160 0.3 . 1 . . . . . 77 ASP CB . 52982 1 132 . 1 . 1 35 35 ASP N N 15 120.422 0.3 . 1 . . . . . 77 ASP N . 52982 1 133 . 1 . 1 36 36 ALA H H 1 8.091 0.020 . 1 . . . . . 78 ALA H . 52982 1 134 . 1 . 1 36 36 ALA C C 13 175.010 0.3 . 1 . . . . . 78 ALA C . 52982 1 135 . 1 . 1 36 36 ALA CA C 13 49.742 0.3 . 1 . . . . . 78 ALA CA . 52982 1 136 . 1 . 1 36 36 ALA CB C 13 16.165 0.3 . 1 . . . . . 78 ALA CB . 52982 1 137 . 1 . 1 36 36 ALA N N 15 123.702 0.3 . 1 . . . . . 78 ALA N . 52982 1 138 . 1 . 1 37 37 GLU H H 1 8.212 0.020 . 1 . . . . . 79 GLU H . 52982 1 139 . 1 . 1 37 37 GLU C C 13 173.672 0.3 . 1 . . . . . 79 GLU C . 52982 1 140 . 1 . 1 37 37 GLU CA C 13 53.748 0.3 . 1 . . . . . 79 GLU CA . 52982 1 141 . 1 . 1 37 37 GLU CB C 13 27.135 0.3 . 1 . . . . . 79 GLU CB . 52982 1 142 . 1 . 1 37 37 GLU N N 15 119.741 0.3 . 1 . . . . . 79 GLU N . 52982 1 143 . 1 . 1 38 38 SER H H 1 8.110 0.020 . 1 . . . . . 80 SER H . 52982 1 144 . 1 . 1 38 38 SER C C 13 171.623 0.3 . 1 . . . . . 80 SER C . 52982 1 145 . 1 . 1 38 38 SER CA C 13 55.367 0.3 . 1 . . . . . 80 SER CA . 52982 1 146 . 1 . 1 38 38 SER CB C 13 61.046 0.3 . 1 . . . . . 80 SER CB . 52982 1 147 . 1 . 1 38 38 SER N N 15 116.372 0.3 . 1 . . . . . 80 SER N . 52982 1 148 . 1 . 1 39 39 GLU H H 1 8.349 0.020 . 1 . . . . . 81 GLU H . 52982 1 149 . 1 . 1 39 39 GLU C C 13 173.543 0.3 . 1 . . . . . 81 GLU C . 52982 1 150 . 1 . 1 39 39 GLU CA C 13 53.489 0.3 . 1 . . . . . 81 GLU CA . 52982 1 151 . 1 . 1 39 39 GLU CB C 13 27.302 0.3 . 1 . . . . . 81 GLU CB . 52982 1 152 . 1 . 1 39 39 GLU N N 15 122.953 0.3 . 1 . . . . . 81 GLU N . 52982 1 153 . 1 . 1 40 40 GLU H H 1 8.229 0.020 . 1 . . . . . 82 GLU H . 52982 1 154 . 1 . 1 40 40 GLU C C 13 173.242 0.3 . 1 . . . . . 82 GLU C . 52982 1 155 . 1 . 1 40 40 GLU CA C 13 53.489 0.3 . 1 . . . . . 82 GLU CA . 52982 1 156 . 1 . 1 40 40 GLU CB C 13 27.413 0.3 . 1 . . . . . 82 GLU CB . 52982 1 157 . 1 . 1 40 40 GLU N N 15 121.325 0.3 . 1 . . . . . 82 GLU N . 52982 1 158 . 1 . 1 41 41 ASP H H 1 8.282 0.020 . 1 . . . . . 83 ASP H . 52982 1 159 . 1 . 1 41 41 ASP C C 13 173.573 0.3 . 1 . . . . . 83 ASP C . 52982 1 160 . 1 . 1 41 41 ASP CA C 13 51.376 0.3 . 1 . . . . . 83 ASP CA . 52982 1 161 . 1 . 1 41 41 ASP CB C 13 37.993 0.3 . 1 . . . . . 83 ASP CB . 52982 1 162 . 1 . 1 41 41 ASP N N 15 121.481 0.3 . 1 . . . . . 83 ASP N . 52982 1 163 . 1 . 1 42 42 GLU H H 1 8.213 0.020 . 1 . . . . . 84 GLU H . 52982 1 164 . 1 . 1 42 42 GLU C C 13 173.241 0.3 . 1 . . . . . 84 GLU C . 52982 1 165 . 1 . 1 42 42 GLU CA C 13 53.195 0.3 . 1 . . . . . 84 GLU CA . 52982 1 166 . 1 . 1 42 42 GLU CB C 13 27.413 0.3 . 1 . . . . . 84 GLU CB . 52982 1 167 . 1 . 1 42 42 GLU N N 15 121.646 0.3 . 1 . . . . . 84 GLU N . 52982 1 168 . 1 . 1 43 43 ASP H H 1 8.247 0.020 . 1 . . . . . 85 ASP H . 52982 1 169 . 1 . 1 43 43 ASP C C 13 173.305 0.3 . 1 . . . . . 85 ASP C . 52982 1 170 . 1 . 1 43 43 ASP CA C 13 51.488 0.3 . 1 . . . . . 85 ASP CA . 52982 1 171 . 1 . 1 43 43 ASP CB C 13 38.114 0.3 . 1 . . . . . 85 ASP CB . 52982 1 172 . 1 . 1 43 43 ASP N N 15 121.611 0.3 . 1 . . . . . 85 ASP N . 52982 1 173 . 1 . 1 44 44 LEU H H 1 7.936 0.020 . 1 . . . . . 86 LEU H . 52982 1 174 . 1 . 1 44 44 LEU C C 13 174.679 0.3 . 1 . . . . . 86 LEU C . 52982 1 175 . 1 . 1 44 44 LEU CA C 13 52.238 0.3 . 1 . . . . . 86 LEU CA . 52982 1 176 . 1 . 1 44 44 LEU CB C 13 39.441 0.3 . 1 . . . . . 86 LEU CB . 52982 1 177 . 1 . 1 44 44 LEU N N 15 122.567 0.3 . 1 . . . . . 86 LEU N . 52982 1 178 . 1 . 1 45 45 GLU H H 1 8.193 0.020 . 1 . . . . . 87 GLU H . 52982 1 179 . 1 . 1 45 45 GLU C C 13 173.413 0.3 . 1 . . . . . 87 GLU C . 52982 1 180 . 1 . 1 45 45 GLU CA C 13 53.709 0.3 . 1 . . . . . 87 GLU CA . 52982 1 181 . 1 . 1 45 45 GLU CB C 13 26.967 0.3 . 1 . . . . . 87 GLU CB . 52982 1 182 . 1 . 1 45 45 GLU N N 15 120.993 0.3 . 1 . . . . . 87 GLU N . 52982 1 183 . 1 . 1 46 46 VAL H H 1 7.819 0.020 . 1 . . . . . 88 VAL H . 52982 1 184 . 1 . 1 46 46 VAL C C 13 171.278 0.3 . 1 . . . . . 88 VAL C . 52982 1 185 . 1 . 1 46 46 VAL CA C 13 56.768 0.3 . 1 . . . . . 88 VAL CA . 52982 1 186 . 1 . 1 46 46 VAL CB C 13 29.529 0.3 . 1 . . . . . 88 VAL CB . 52982 1 187 . 1 . 1 46 46 VAL N N 15 122.368 0.3 . 1 . . . . . 88 VAL N . 52982 1 188 . 1 . 1 48 48 VAL H H 1 8.097 0.020 . 1 . . . . . 90 VAL H . 52982 1 189 . 1 . 1 48 48 VAL C C 13 171.910 0.3 . 1 . . . . . 90 VAL C . 52982 1 190 . 1 . 1 48 48 VAL CA C 13 57.458 0.3 . 1 . . . . . 90 VAL CA . 52982 1 191 . 1 . 1 48 48 VAL CB C 13 29.529 0.3 . 1 . . . . . 90 VAL CB . 52982 1 192 . 1 . 1 48 48 VAL N N 15 121.497 0.3 . 1 . . . . . 90 VAL N . 52982 1 193 . 1 . 1 50 50 SER H H 1 8.172 0.020 . 1 . . . . . 92 SER H . 52982 1 194 . 1 . 1 50 50 SER C C 13 172.090 0.3 . 1 . . . . . 92 SER C . 52982 1 195 . 1 . 1 50 50 SER CA C 13 55.727 0.3 . 1 . . . . . 92 SER CA . 52982 1 196 . 1 . 1 50 50 SER CB C 13 60.713 0.3 . 1 . . . . . 92 SER CB . 52982 1 197 . 1 . 1 50 50 SER N N 15 115.143 0.3 . 1 . . . . . 92 SER N . 52982 1 198 . 1 . 1 51 51 ARG H H 1 8.079 0.020 . 1 . . . . . 93 ARG H . 52982 1 199 . 1 . 1 51 51 ARG C C 13 173.219 0.3 . 1 . . . . . 93 ARG C . 52982 1 200 . 1 . 1 51 51 ARG CA C 13 53.588 0.3 . 1 . . . . . 93 ARG CA . 52982 1 201 . 1 . 1 51 51 ARG CB C 13 27.413 0.3 . 1 . . . . . 93 ARG CB . 52982 1 202 . 1 . 1 51 51 ARG N N 15 122.243 0.3 . 1 . . . . . 93 ARG N . 52982 1 203 . 1 . 1 52 52 PHE H H 1 7.949 0.020 . 1 . . . . . 94 PHE H . 52982 1 204 . 1 . 1 52 52 PHE C C 13 172.522 0.3 . 1 . . . . . 94 PHE C . 52982 1 205 . 1 . 1 52 52 PHE CA C 13 54.643 0.3 . 1 . . . . . 94 PHE CA . 52982 1 206 . 1 . 1 52 52 PHE CB C 13 36.434 0.3 . 1 . . . . . 94 PHE CB . 52982 1 207 . 1 . 1 52 52 PHE N N 15 119.877 0.3 . 1 . . . . . 94 PHE N . 52982 1 208 . 1 . 1 53 53 ASN H H 1 8.053 0.020 . 1 . . . . . 95 ASN H . 52982 1 209 . 1 . 1 53 53 ASN C C 13 171.874 0.3 . 1 . . . . . 95 ASN C . 52982 1 210 . 1 . 1 53 53 ASN CA C 13 50.168 0.3 . 1 . . . . . 95 ASN CA . 52982 1 211 . 1 . 1 53 53 ASN CB C 13 35.843 0.3 . 1 . . . . . 95 ASN CB . 52982 1 212 . 1 . 1 53 53 ASN N N 15 120.073 0.3 . 1 . . . . . 95 ASN N . 52982 1 213 . 1 . 1 54 54 ARG H H 1 8.045 0.020 . 1 . . . . . 96 ARG H . 52982 1 214 . 1 . 1 54 54 ARG C C 13 173.212 0.3 . 1 . . . . . 96 ARG C . 52982 1 215 . 1 . 1 54 54 ARG CA C 13 53.166 0.3 . 1 . . . . . 96 ARG CA . 52982 1 216 . 1 . 1 54 54 ARG CB C 13 27.691 0.3 . 1 . . . . . 96 ARG CB . 52982 1 217 . 1 . 1 54 54 ARG N N 15 121.450 0.3 . 1 . . . . . 96 ARG N . 52982 1 218 . 1 . 1 55 55 ARG H H 1 8.204 0.020 . 1 . . . . . 97 ARG H . 52982 1 219 . 1 . 1 55 55 ARG C C 13 173.327 0.3 . 1 . . . . . 97 ARG C . 52982 1 220 . 1 . 1 55 55 ARG CA C 13 53.251 0.3 . 1 . . . . . 97 ARG CA . 52982 1 221 . 1 . 1 55 55 ARG CB C 13 27.622 0.3 . 1 . . . . . 97 ARG CB . 52982 1 222 . 1 . 1 55 55 ARG N N 15 122.516 0.3 . 1 . . . . . 97 ARG N . 52982 1 223 . 1 . 1 56 56 VAL H H 1 8.036 0.020 . 1 . . . . . 98 VAL H . 52982 1 224 . 1 . 1 56 56 VAL C C 13 173.190 0.3 . 1 . . . . . 98 VAL C . 52982 1 225 . 1 . 1 56 56 VAL CA C 13 59.261 0.3 . 1 . . . . . 98 VAL CA . 52982 1 226 . 1 . 1 56 56 VAL CB C 13 29.919 0.3 . 1 . . . . . 98 VAL CB . 52982 1 227 . 1 . 1 56 56 VAL N N 15 121.677 0.3 . 1 . . . . . 98 VAL N . 52982 1 228 . 1 . 1 57 57 SER H H 1 8.238 0.020 . 1 . . . . . 99 SER H . 52982 1 229 . 1 . 1 57 57 SER C C 13 171.429 0.3 . 1 . . . . . 99 SER C . 52982 1 230 . 1 . 1 57 57 SER CA C 13 55.150 0.3 . 1 . . . . . 99 SER CA . 52982 1 231 . 1 . 1 57 57 SER CB C 13 60.811 0.3 . 1 . . . . . 99 SER CB . 52982 1 232 . 1 . 1 57 57 SER N N 15 119.911 0.3 . 1 . . . . . 99 SER N . 52982 1 233 . 1 . 1 58 58 VAL H H 1 8.105 0.020 . 1 . . . . . 100 VAL H . 52982 1 234 . 1 . 1 58 58 VAL C C 13 173.054 0.3 . 1 . . . . . 100 VAL C . 52982 1 235 . 1 . 1 58 58 VAL CA C 13 59.428 0.3 . 1 . . . . . 100 VAL CA . 52982 1 236 . 1 . 1 58 58 VAL CB C 13 29.807 0.3 . 1 . . . . . 100 VAL CB . 52982 1 237 . 1 . 1 58 58 VAL N N 15 121.888 0.3 . 1 . . . . . 100 VAL N . 52982 1 238 . 1 . 1 59 59 CYS H H 1 8.265 0.020 . 1 . . . . . 101 CYS H . 52982 1 239 . 1 . 1 59 59 CYS C C 13 171.047 0.3 . 1 . . . . . 101 CYS C . 52982 1 240 . 1 . 1 59 59 CYS CA C 13 55.452 0.3 . 1 . . . . . 101 CYS CA . 52982 1 241 . 1 . 1 59 59 CYS CB C 13 25.074 0.3 . 1 . . . . . 101 CYS CB . 52982 1 242 . 1 . 1 59 59 CYS N N 15 123.247 0.3 . 1 . . . . . 101 CYS N . 52982 1 243 . 1 . 1 60 60 ALA H H 1 8.311 0.020 . 1 . . . . . 102 ALA H . 52982 1 244 . 1 . 1 60 60 ALA C C 13 173.643 0.3 . 1 . . . . . 102 ALA C . 52982 1 245 . 1 . 1 60 60 ALA CA C 13 49.520 0.3 . 1 . . . . . 102 ALA CA . 52982 1 246 . 1 . 1 60 60 ALA CB C 13 16.220 0.3 . 1 . . . . . 102 ALA CB . 52982 1 247 . 1 . 1 60 60 ALA N N 15 127.648 0.3 . 1 . . . . . 102 ALA N . 52982 1 248 . 1 . 1 61 61 GLU H H 1 7.804 0.020 . 1 . . . . . 103 GLU H . 52982 1 249 . 1 . 1 61 61 GLU C C 13 171.213 0.3 . 1 . . . . . 103 GLU C . 52982 1 250 . 1 . 1 61 61 GLU CA C 13 55.023 0.3 . 1 . . . . . 103 GLU CA . 52982 1 251 . 1 . 1 61 61 GLU CB C 13 28.193 0.3 . 1 . . . . . 103 GLU CB . 52982 1 252 . 1 . 1 61 61 GLU N N 15 125.534 0.3 . 1 . . . . . 103 GLU N . 52982 1 stop_ save_