################################### # 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 26928 _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 0.1 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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' . . . 26928 1 2 '3D HNCACB' . . . 26928 1 4 '3D HNCA' . . . 26928 1 6 '3D HNCO' . . . 26928 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 $NMRPipe . . 26928 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 29 29 TYR C C 13 175.472 0.300 . 1 . . . . 52 TYR C . 26928 1 2 . 1 1 29 29 TYR CA C 13 57.690 0.300 . 1 . . . . 52 TYR CA . 26928 1 3 . 1 1 29 29 TYR CB C 13 37.608 0.300 . 1 . . . . 52 TYR CB . 26928 1 4 . 1 1 30 30 ILE H H 1 7.814 0.020 . 1 . . . . 53 ILE H . 26928 1 5 . 1 1 30 30 ILE C C 13 175.626 0.300 . 1 . . . . 53 ILE C . 26928 1 6 . 1 1 30 30 ILE CA C 13 60.301 0.300 . 1 . . . . 53 ILE CA . 26928 1 7 . 1 1 30 30 ILE CB C 13 37.857 0.300 . 1 . . . . 53 ILE CB . 26928 1 8 . 1 1 30 30 ILE N N 15 123.418 0.300 . 1 . . . . 53 ILE N . 26928 1 9 . 1 1 31 31 GLU H H 1 8.388 0.020 . 1 . . . . 54 GLU H . 26928 1 10 . 1 1 31 31 GLU CA C 13 56.229 0.300 . 1 . . . . 54 GLU CA . 26928 1 11 . 1 1 31 31 GLU CB C 13 29.218 0.300 . 1 . . . . 54 GLU CB . 26928 1 12 . 1 1 31 31 GLU N N 15 124.842 0.300 . 1 . . . . 54 GLU N . 26928 1 13 . 1 1 33 33 ALA C C 13 178.280 0.300 . 1 . . . . 56 ALA C . 26928 1 14 . 1 1 33 33 ALA CA C 13 52.425 0.300 . 1 . . . . 56 ALA CA . 26928 1 15 . 1 1 33 33 ALA CB C 13 18.276 0.300 . 1 . . . . 56 ALA CB . 26928 1 16 . 1 1 34 34 GLY H H 1 8.381 0.020 . 1 . . . . 57 GLY H . 26928 1 17 . 1 1 34 34 GLY C C 13 174.145 0.300 . 1 . . . . 57 GLY C . 26928 1 18 . 1 1 34 34 GLY CA C 13 44.813 0.300 . 1 . . . . 57 GLY CA . 26928 1 19 . 1 1 34 34 GLY N N 15 107.947 0.300 . 1 . . . . 57 GLY N . 26928 1 20 . 1 1 35 35 ASP H H 1 7.986 0.020 . 1 . . . . 58 ASP H . 26928 1 21 . 1 1 35 35 ASP C C 13 177.299 0.300 . 1 . . . . 58 ASP C . 26928 1 22 . 1 1 35 35 ASP CA C 13 54.773 0.300 . 1 . . . . 58 ASP CA . 26928 1 23 . 1 1 35 35 ASP CB C 13 41.196 0.300 . 1 . . . . 58 ASP CB . 26928 1 24 . 1 1 35 35 ASP N N 15 121.098 0.300 . 1 . . . . 58 ASP N . 26928 1 25 . 1 1 36 36 ILE H H 1 8.099 0.020 . 1 . . . . 59 ILE H . 26928 1 26 . 1 1 36 36 ILE C C 13 176.459 0.300 . 1 . . . . 59 ILE C . 26928 1 27 . 1 1 36 36 ILE CA C 13 60.862 0.300 . 1 . . . . 59 ILE CA . 26928 1 28 . 1 1 36 36 ILE CB C 13 37.533 0.300 . 1 . . . . 59 ILE CB . 26928 1 29 . 1 1 36 36 ILE N N 15 120.777 0.300 . 1 . . . . 59 ILE N . 26928 1 30 . 1 1 37 37 THR H H 1 8.150 0.020 . 1 . . . . 60 THR H . 26928 1 31 . 1 1 37 37 THR C C 13 174.132 0.300 . 1 . . . . 60 THR C . 26928 1 32 . 1 1 37 37 THR CA C 13 61.490 0.300 . 1 . . . . 60 THR CA . 26928 1 33 . 1 1 37 37 THR CB C 13 69.207 0.300 . 1 . . . . 60 THR CB . 26928 1 34 . 1 1 37 37 THR N N 15 117.681 0.300 . 1 . . . . 60 THR N . 26928 1 35 . 1 1 38 38 TRP H H 1 8.063 0.020 . 1 . . . . 61 TRP H . 26928 1 36 . 1 1 38 38 TRP C C 13 175.992 0.300 . 1 . . . . 61 TRP C . 26928 1 37 . 1 1 38 38 TRP CA C 13 56.852 0.300 . 1 . . . . 61 TRP CA . 26928 1 38 . 1 1 38 38 TRP CB C 13 29.285 0.300 . 1 . . . . 61 TRP CB . 26928 1 39 . 1 1 38 38 TRP N N 15 123.307 0.300 . 1 . . . . 61 TRP N . 26928 1 40 . 1 1 39 39 GLU H H 1 8.228 0.020 . 1 . . . . 62 GLU H . 26928 1 41 . 1 1 39 39 GLU C C 13 176.215 0.300 . 1 . . . . 62 GLU C . 26928 1 42 . 1 1 39 39 GLU CA C 13 56.057 0.300 . 1 . . . . 62 GLU CA . 26928 1 43 . 1 1 39 39 GLU CB C 13 29.372 0.300 . 1 . . . . 62 GLU CB . 26928 1 44 . 1 1 39 39 GLU N N 15 122.582 0.300 . 1 . . . . 62 GLU N . 26928 1 45 . 1 1 40 40 LYS H H 1 8.131 0.020 . 1 . . . . 63 LYS H . 26928 1 46 . 1 1 40 40 LYS C C 13 176.484 0.300 . 1 . . . . 63 LYS C . 26928 1 47 . 1 1 40 40 LYS CA C 13 56.145 0.300 . 1 . . . . 63 LYS CA . 26928 1 48 . 1 1 40 40 LYS CB C 13 32.249 0.300 . 1 . . . . 63 LYS CB . 26928 1 49 . 1 1 40 40 LYS N N 15 121.891 0.300 . 1 . . . . 63 LYS N . 26928 1 50 . 1 1 41 41 ASP H H 1 8.352 0.020 . 1 . . . . 64 ASP H . 26928 1 51 . 1 1 41 41 ASP C C 13 176.075 0.300 . 1 . . . . 64 ASP C . 26928 1 52 . 1 1 41 41 ASP CA C 13 54.193 0.300 . 1 . . . . 64 ASP CA . 26928 1 53 . 1 1 41 41 ASP CB C 13 40.450 0.300 . 1 . . . . 64 ASP CB . 26928 1 54 . 1 1 41 41 ASP N N 15 120.971 0.300 . 1 . . . . 64 ASP N . 26928 1 55 . 1 1 42 42 ALA H H 1 8.127 0.020 . 1 . . . . 65 ALA H . 26928 1 56 . 1 1 42 42 ALA C C 13 177.846 0.300 . 1 . . . . 65 ALA C . 26928 1 57 . 1 1 42 42 ALA CA C 13 52.138 0.300 . 1 . . . . 65 ALA CA . 26928 1 58 . 1 1 42 42 ALA CB C 13 18.501 0.300 . 1 . . . . 65 ALA CB . 26928 1 59 . 1 1 42 42 ALA N N 15 123.562 0.300 . 1 . . . . 65 ALA N . 26928 1 60 . 1 1 43 43 GLU H H 1 8.349 0.020 . 1 . . . . 66 GLU H . 26928 1 61 . 1 1 43 43 GLU C C 13 176.736 0.300 . 1 . . . . 66 GLU C . 26928 1 62 . 1 1 43 43 GLU CA C 13 56.176 0.300 . 1 . . . . 66 GLU CA . 26928 1 63 . 1 1 43 43 GLU CB C 13 29.318 0.300 . 1 . . . . 66 GLU CB . 26928 1 64 . 1 1 43 43 GLU N N 15 119.794 0.300 . 1 . . . . 66 GLU N . 26928 1 65 . 1 1 44 44 VAL H H 1 8.176 0.020 . 1 . . . . 67 VAL H . 26928 1 66 . 1 1 44 44 VAL C C 13 176.618 0.300 . 1 . . . . 67 VAL C . 26928 1 67 . 1 1 44 44 VAL CA C 13 62.047 0.300 . 1 . . . . 67 VAL CA . 26928 1 68 . 1 1 44 44 VAL CB C 13 32.184 0.300 . 1 . . . . 67 VAL CB . 26928 1 69 . 1 1 44 44 VAL N N 15 121.110 0.300 . 1 . . . . 67 VAL N . 26928 1 70 . 1 1 45 45 THR H H 1 8.239 0.020 . 1 . . . . 68 THR H . 26928 1 71 . 1 1 45 45 THR C C 13 175.272 0.300 . 1 . . . . 68 THR C . 26928 1 72 . 1 1 45 45 THR CA C 13 61.703 0.300 . 1 . . . . 68 THR CA . 26928 1 73 . 1 1 45 45 THR CB C 13 69.285 0.300 . 1 . . . . 68 THR CB . 26928 1 74 . 1 1 45 45 THR N N 15 117.191 0.300 . 1 . . . . 68 THR N . 26928 1 75 . 1 1 46 46 GLY H H 1 8.365 0.020 . 1 . . . . 69 GLY H . 26928 1 76 . 1 1 46 46 GLY CA C 13 44.849 0.300 . 1 . . . . 69 GLY CA . 26928 1 77 . 1 1 46 46 GLY N N 15 110.637 0.300 . 1 . . . . 69 GLY N . 26928 1 78 . 1 1 50 50 ARG CA C 13 55.437 0.300 . 1 . . . . 73 ARG CA . 26928 1 79 . 1 1 50 50 ARG CB C 13 29.669 0.300 . 1 . . . . 73 ARG CB . 26928 1 80 . 1 1 51 51 LEU H H 1 8.379 0.020 . 1 . . . . 74 LEU H . 26928 1 81 . 1 1 51 51 LEU CA C 13 54.507 0.300 . 1 . . . . 74 LEU CA . 26928 1 82 . 1 1 51 51 LEU CB C 13 41.538 0.300 . 1 . . . . 74 LEU CB . 26928 1 83 . 1 1 51 51 LEU N N 15 123.797 0.300 . 1 . . . . 74 LEU N . 26928 1 84 . 1 1 52 52 ASP H H 1 8.438 0.020 . 1 . . . . 75 ASP H . 26928 1 85 . 1 1 52 52 ASP C C 13 175.892 0.300 . 1 . . . . 75 ASP C . 26928 1 86 . 1 1 52 52 ASP CA C 13 53.780 0.300 . 1 . . . . 75 ASP CA . 26928 1 87 . 1 1 52 52 ASP CB C 13 40.260 0.300 . 1 . . . . 75 ASP CB . 26928 1 88 . 1 1 52 52 ASP N N 15 121.132 0.300 . 1 . . . . 75 ASP N . 26928 1 89 . 1 1 53 53 VAL H H 1 7.901 0.020 . 1 . . . . 76 VAL H . 26928 1 90 . 1 1 53 53 VAL C C 13 175.572 0.300 . 1 . . . . 76 VAL C . 26928 1 91 . 1 1 53 53 VAL CA C 13 61.405 0.300 . 1 . . . . 76 VAL CA . 26928 1 92 . 1 1 53 53 VAL CB C 13 32.380 0.300 . 1 . . . . 76 VAL CB . 26928 1 93 . 1 1 53 53 VAL N N 15 119.258 0.300 . 1 . . . . 76 VAL N . 26928 1 94 . 1 1 54 54 ALA H H 1 8.378 0.020 . 1 . . . . 77 ALA H . 26928 1 95 . 1 1 54 54 ALA C C 13 177.584 0.300 . 1 . . . . 77 ALA C . 26928 1 96 . 1 1 54 54 ALA CA C 13 51.793 0.300 . 1 . . . . 77 ALA CA . 26928 1 97 . 1 1 54 54 ALA CB C 13 18.384 0.300 . 1 . . . . 77 ALA CB . 26928 1 98 . 1 1 54 54 ALA N N 15 127.355 0.300 . 1 . . . . 77 ALA N . 26928 1 99 . 1 1 55 55 LEU H H 1 8.236 0.020 . 1 . . . . 78 LEU H . 26928 1 100 . 1 1 55 55 LEU C C 13 176.901 0.300 . 1 . . . . 78 LEU C . 26928 1 101 . 1 1 55 55 LEU CA C 13 54.660 0.300 . 1 . . . . 78 LEU CA . 26928 1 102 . 1 1 55 55 LEU CB C 13 41.590 0.300 . 1 . . . . 78 LEU CB . 26928 1 103 . 1 1 55 55 LEU N N 15 121.764 0.300 . 1 . . . . 78 LEU N . 26928 1 104 . 1 1 56 56 ASP H H 1 8.335 0.020 . 1 . . . . 79 ASP H . 26928 1 105 . 1 1 56 56 ASP C C 13 176.523 0.300 . 1 . . . . 79 ASP C . 26928 1 106 . 1 1 56 56 ASP CA C 13 53.776 0.300 . 1 . . . . 79 ASP CA . 26928 1 107 . 1 1 56 56 ASP CB C 13 40.547 0.300 . 1 . . . . 79 ASP CB . 26928 1 108 . 1 1 56 56 ASP N N 15 120.808 0.300 . 1 . . . . 79 ASP N . 26928 1 109 . 1 1 57 57 GLU C C 13 176.793 0.300 . 1 . . . . 80 GLU C . 26928 1 110 . 1 1 57 57 GLU CA C 13 56.212 0.300 . 1 . . . . 80 GLU CA . 26928 1 111 . 1 1 57 57 GLU CB C 13 29.011 0.300 . 1 . . . . 80 GLU CB . 26928 1 112 . 1 1 58 58 SER H H 1 8.414 0.020 . 1 . . . . 81 SER H . 26928 1 113 . 1 1 58 58 SER C C 13 175.196 0.300 . 1 . . . . 81 SER C . 26928 1 114 . 1 1 58 58 SER CA C 13 58.694 0.300 . 1 . . . . 81 SER CA . 26928 1 115 . 1 1 58 58 SER CB C 13 63.543 0.300 . 1 . . . . 81 SER CB . 26928 1 116 . 1 1 58 58 SER N N 15 116.431 0.300 . 1 . . . . 81 SER N . 26928 1 117 . 1 1 59 59 GLY H H 1 8.312 0.020 . 1 . . . . 82 GLY H . 26928 1 118 . 1 1 59 59 GLY C C 13 173.601 0.300 . 1 . . . . 82 GLY C . 26928 1 119 . 1 1 59 59 GLY CA C 13 44.852 0.300 . 1 . . . . 82 GLY CA . 26928 1 120 . 1 1 59 59 GLY N N 15 110.409 0.300 . 1 . . . . 82 GLY N . 26928 1 121 . 1 1 60 60 ASP H H 1 8.140 0.020 . 1 . . . . 83 ASP H . 26928 1 122 . 1 1 60 60 ASP C C 13 176.051 0.300 . 1 . . . . 83 ASP C . 26928 1 123 . 1 1 60 60 ASP CA C 13 53.780 0.300 . 1 . . . . 83 ASP CA . 26928 1 124 . 1 1 60 60 ASP CB C 13 40.526 0.300 . 1 . . . . 83 ASP CB . 26928 1 125 . 1 1 60 60 ASP N N 15 120.210 0.300 . 1 . . . . 83 ASP N . 26928 1 126 . 1 1 61 61 PHE H H 1 8.217 0.020 . 1 . . . . 84 PHE H . 26928 1 127 . 1 1 61 61 PHE C C 13 175.771 0.300 . 1 . . . . 84 PHE C . 26928 1 128 . 1 1 61 61 PHE CA C 13 57.278 0.300 . 1 . . . . 84 PHE CA . 26928 1 129 . 1 1 61 61 PHE CB C 13 38.501 0.300 . 1 . . . . 84 PHE CB . 26928 1 130 . 1 1 61 61 PHE N N 15 120.883 0.300 . 1 . . . . 84 PHE N . 26928 1 131 . 1 1 62 62 SER H H 1 8.231 0.020 . 1 . . . . 85 SER H . 26928 1 132 . 1 1 62 62 SER C C 13 174.104 0.300 . 1 . . . . 85 SER C . 26928 1 133 . 1 1 62 62 SER CA C 13 58.088 0.300 . 1 . . . . 85 SER CA . 26928 1 134 . 1 1 62 62 SER CB C 13 63.496 0.300 . 1 . . . . 85 SER CB . 26928 1 135 . 1 1 62 62 SER N N 15 117.356 0.300 . 1 . . . . 85 SER N . 26928 1 136 . 1 1 63 63 LEU H H 1 8.217 0.020 . 1 . . . . 86 LEU H . 26928 1 137 . 1 1 63 63 LEU C C 13 177.114 0.300 . 1 . . . . 86 LEU C . 26928 1 138 . 1 1 63 63 LEU CA C 13 54.687 0.300 . 1 . . . . 86 LEU CA . 26928 1 139 . 1 1 63 63 LEU CB C 13 41.323 0.300 . 1 . . . . 86 LEU CB . 26928 1 140 . 1 1 63 63 LEU N N 15 124.117 0.300 . 1 . . . . 86 LEU N . 26928 1 141 . 1 1 64 64 VAL H H 1 8.096 0.020 . 1 . . . . 87 VAL H . 26928 1 142 . 1 1 64 64 VAL C C 13 176.035 0.300 . 1 . . . . 87 VAL C . 26928 1 143 . 1 1 64 64 VAL CA C 13 61.777 0.300 . 1 . . . . 87 VAL CA . 26928 1 144 . 1 1 64 64 VAL CB C 13 32.218 0.300 . 1 . . . . 87 VAL CB . 26928 1 145 . 1 1 64 64 VAL N N 15 121.399 0.300 . 1 . . . . 87 VAL N . 26928 1 146 . 1 1 65 65 GLU H H 1 8.511 0.020 . 1 . . . . 88 GLU H . 26928 1 147 . 1 1 65 65 GLU C C 13 176.259 0.300 . 1 . . . . 88 GLU C . 26928 1 148 . 1 1 65 65 GLU CA C 13 55.893 0.300 . 1 . . . . 88 GLU CA . 26928 1 149 . 1 1 65 65 GLU CB C 13 29.526 0.300 . 1 . . . . 88 GLU CB . 26928 1 150 . 1 1 65 65 GLU N N 15 125.201 0.300 . 1 . . . . 88 GLU N . 26928 1 stop_ save_ ################################### # 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_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 26928 _Assigned_chem_shift_list.ID 2 _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 0.1 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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' . . . 26928 2 2 '3D HNCACB' . . . 26928 2 4 '3D HNCA' . . . 26928 2 6 '3D HNCO' . . . 26928 2 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 $NMRPipe . . 26928 2 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 25 25 SER C C 13 174.186 0.300 . 1 . . . . 248 SER C . 26928 2 2 . 1 1 25 25 SER CA C 13 57.922 0.300 . 1 . . . . 248 SER CA . 26928 2 3 . 1 1 25 25 SER CB C 13 63.376 0.300 . 1 . . . . 248 SER CB . 26928 2 4 . 1 1 26 26 VAL H H 1 8.294 0.020 . 1 . . . . 249 VAL H . 26928 2 5 . 1 1 26 26 VAL C C 13 175.257 0.300 . 1 . . . . 249 VAL C . 26928 2 6 . 1 1 26 26 VAL CA C 13 61.481 0.300 . 1 . . . . 249 VAL CA . 26928 2 7 . 1 1 26 26 VAL CB C 13 32.376 0.300 . 1 . . . . 249 VAL CB . 26928 2 8 . 1 1 26 26 VAL N N 15 122.196 0.300 . 1 . . . . 249 VAL N . 26928 2 9 . 1 1 27 27 ASP H H 1 8.568 0.020 . 1 . . . . 250 ASP H . 26928 2 10 . 1 1 27 27 ASP C C 13 175.033 0.300 . 1 . . . . 250 ASP C . 26928 2 11 . 1 1 27 27 ASP CA C 13 53.918 0.300 . 1 . . . . 250 ASP CA . 26928 2 12 . 1 1 27 27 ASP CB C 13 41.249 0.300 . 1 . . . . 250 ASP CB . 26928 2 13 . 1 1 27 27 ASP N N 15 125.727 0.300 . 1 . . . . 250 ASP N . 26928 2 14 . 1 1 28 28 MET H H 1 8.281 0.020 . 1 . . . . 251 MET H . 26928 2 15 . 1 1 28 28 MET C C 13 175.234 0.300 . 1 . . . . 251 MET C . 26928 2 16 . 1 1 28 28 MET CA C 13 54.609 0.300 . 1 . . . . 251 MET CA . 26928 2 17 . 1 1 28 28 MET CB C 13 35.305 0.300 . 1 . . . . 251 MET CB . 26928 2 18 . 1 1 28 28 MET N N 15 122.067 0.300 . 1 . . . . 251 MET N . 26928 2 19 . 1 1 29 29 TYR H H 1 9.065 0.020 . 1 . . . . 252 TYR H . 26928 2 20 . 1 1 29 29 TYR C C 13 172.555 0.300 . 1 . . . . 252 TYR C . 26928 2 21 . 1 1 29 29 TYR CA C 13 54.663 0.300 . 1 . . . . 252 TYR CA . 26928 2 22 . 1 1 29 29 TYR CB C 13 40.689 0.300 . 1 . . . . 252 TYR CB . 26928 2 23 . 1 1 29 29 TYR N N 15 120.388 0.300 . 1 . . . . 252 TYR N . 26928 2 24 . 1 1 30 30 ILE H H 1 8.057 0.020 . 1 . . . . 253 ILE H . 26928 2 25 . 1 1 30 30 ILE C C 13 175.806 0.300 . 1 . . . . 253 ILE C . 26928 2 26 . 1 1 30 30 ILE CA C 13 57.610 0.300 . 1 . . . . 253 ILE CA . 26928 2 27 . 1 1 30 30 ILE CB C 13 40.151 0.300 . 1 . . . . 253 ILE CB . 26928 2 28 . 1 1 30 30 ILE N N 15 109.671 0.300 . 1 . . . . 253 ILE N . 26928 2 29 . 1 1 31 31 GLU H H 1 8.635 0.020 . 1 . . . . 254 GLU H . 26928 2 30 . 1 1 31 31 GLU C C 13 174.915 0.300 . 1 . . . . 254 GLU C . 26928 2 31 . 1 1 31 31 GLU CA C 13 54.249 0.300 . 1 . . . . 254 GLU CA . 26928 2 32 . 1 1 31 31 GLU CB C 13 33.585 0.300 . 1 . . . . 254 GLU CB . 26928 2 33 . 1 1 31 31 GLU N N 15 121.347 0.300 . 1 . . . . 254 GLU N . 26928 2 34 . 1 1 32 32 ARG H H 1 9.337 0.020 . 1 . . . . 255 ARG H . 26928 2 35 . 1 1 32 32 ARG C C 13 175.829 0.300 . 1 . . . . 255 ARG C . 26928 2 36 . 1 1 32 32 ARG CA C 13 58.607 0.300 . 1 . . . . 255 ARG CA . 26928 2 37 . 1 1 32 32 ARG CB C 13 28.678 0.300 . 1 . . . . 255 ARG CB . 26928 2 38 . 1 1 32 32 ARG N N 15 130.274 0.300 . 1 . . . . 255 ARG N . 26928 2 39 . 1 1 33 33 ALA H H 1 9.606 0.020 . 1 . . . . 256 ALA H . 26928 2 40 . 1 1 33 33 ALA C C 13 176.637 0.300 . 1 . . . . 256 ALA C . 26928 2 41 . 1 1 33 33 ALA CA C 13 50.996 0.300 . 1 . . . . 256 ALA CA . 26928 2 42 . 1 1 33 33 ALA CB C 13 20.071 0.300 . 1 . . . . 256 ALA CB . 26928 2 43 . 1 1 33 33 ALA N N 15 128.171 0.300 . 1 . . . . 256 ALA N . 26928 2 44 . 1 1 34 34 GLY H H 1 7.120 0.020 . 1 . . . . 257 GLY H . 26928 2 45 . 1 1 34 34 GLY C C 13 171.298 0.300 . 1 . . . . 257 GLY C . 26928 2 46 . 1 1 34 34 GLY CA C 13 44.741 0.300 . 1 . . . . 257 GLY CA . 26928 2 47 . 1 1 34 34 GLY N N 15 103.420 0.300 . 1 . . . . 257 GLY N . 26928 2 48 . 1 1 35 35 ASP H H 1 8.319 0.020 . 1 . . . . 258 ASP H . 26928 2 49 . 1 1 35 35 ASP C C 13 175.532 0.300 . 1 . . . . 258 ASP C . 26928 2 50 . 1 1 35 35 ASP CA C 13 53.113 0.300 . 1 . . . . 258 ASP CA . 26928 2 51 . 1 1 35 35 ASP CB C 13 41.834 0.300 . 1 . . . . 258 ASP CB . 26928 2 52 . 1 1 35 35 ASP N N 15 118.232 0.300 . 1 . . . . 258 ASP N . 26928 2 53 . 1 1 36 36 ILE H H 1 8.843 0.020 . 1 . . . . 259 ILE H . 26928 2 54 . 1 1 36 36 ILE C C 13 174.869 0.300 . 1 . . . . 259 ILE C . 26928 2 55 . 1 1 36 36 ILE CA C 13 61.182 0.300 . 1 . . . . 259 ILE CA . 26928 2 56 . 1 1 36 36 ILE CB C 13 35.994 0.300 . 1 . . . . 259 ILE CB . 26928 2 57 . 1 1 36 36 ILE N N 15 119.624 0.300 . 1 . . . . 259 ILE N . 26928 2 58 . 1 1 37 37 THR H H 1 6.930 0.020 . 1 . . . . 260 THR H . 26928 2 59 . 1 1 37 37 THR C C 13 171.782 0.300 . 1 . . . . 260 THR C . 26928 2 60 . 1 1 37 37 THR CA C 13 59.115 0.300 . 1 . . . . 260 THR CA . 26928 2 61 . 1 1 37 37 THR CB C 13 70.988 0.300 . 1 . . . . 260 THR CB . 26928 2 62 . 1 1 37 37 THR N N 15 118.591 0.300 . 1 . . . . 260 THR N . 26928 2 63 . 1 1 38 38 TRP H H 1 8.616 0.020 . 1 . . . . 261 TRP H . 26928 2 64 . 1 1 38 38 TRP C C 13 175.638 0.300 . 1 . . . . 261 TRP C . 26928 2 65 . 1 1 38 38 TRP CA C 13 56.606 0.300 . 1 . . . . 261 TRP CA . 26928 2 66 . 1 1 38 38 TRP CB C 13 28.623 0.300 . 1 . . . . 261 TRP CB . 26928 2 67 . 1 1 38 38 TRP N N 15 123.900 0.300 . 1 . . . . 261 TRP N . 26928 2 68 . 1 1 39 39 GLU H H 1 8.593 0.020 . 1 . . . . 262 GLU H . 26928 2 69 . 1 1 39 39 GLU C C 13 176.389 0.300 . 1 . . . . 262 GLU C . 26928 2 70 . 1 1 39 39 GLU CA C 13 53.995 0.300 . 1 . . . . 262 GLU CA . 26928 2 71 . 1 1 39 39 GLU CB C 13 30.276 0.300 . 1 . . . . 262 GLU CB . 26928 2 72 . 1 1 39 39 GLU N N 15 130.723 0.300 . 1 . . . . 262 GLU N . 26928 2 73 . 1 1 40 40 LYS H H 1 8.910 0.020 . 1 . . . . 263 LYS H . 26928 2 74 . 1 1 40 40 LYS C C 13 176.880 0.300 . 1 . . . . 263 LYS C . 26928 2 75 . 1 1 40 40 LYS CA C 13 58.098 0.300 . 1 . . . . 263 LYS CA . 26928 2 76 . 1 1 40 40 LYS CB C 13 30.821 0.300 . 1 . . . . 263 LYS CB . 26928 2 77 . 1 1 40 40 LYS N N 15 127.913 0.300 . 1 . . . . 263 LYS N . 26928 2 78 . 1 1 41 41 ASP H H 1 8.717 0.020 . 1 . . . . 264 ASP H . 26928 2 79 . 1 1 41 41 ASP C C 13 175.094 0.300 . 1 . . . . 264 ASP C . 26928 2 80 . 1 1 41 41 ASP CA C 13 53.728 0.300 . 1 . . . . 264 ASP CA . 26928 2 81 . 1 1 41 41 ASP CB C 13 39.249 0.300 . 1 . . . . 264 ASP CB . 26928 2 82 . 1 1 41 41 ASP N N 15 118.687 0.300 . 1 . . . . 264 ASP N . 26928 2 83 . 1 1 42 42 ALA H H 1 7.109 0.020 . 1 . . . . 265 ALA H . 26928 2 84 . 1 1 42 42 ALA C C 13 177.178 0.300 . 1 . . . . 265 ALA C . 26928 2 85 . 1 1 42 42 ALA CA C 13 51.869 0.300 . 1 . . . . 265 ALA CA . 26928 2 86 . 1 1 42 42 ALA CB C 13 18.810 0.300 . 1 . . . . 265 ALA CB . 26928 2 87 . 1 1 42 42 ALA N N 15 121.522 0.300 . 1 . . . . 265 ALA N . 26928 2 88 . 1 1 66 66 GLU C C 13 176.186 0.300 . 1 . . . . 289 GLU C . 26928 2 89 . 1 1 66 66 GLU CA C 13 56.092 0.300 . 1 . . . . 289 GLU CA . 26928 2 90 . 1 1 66 66 GLU CB C 13 29.496 0.300 . 1 . . . . 289 GLU CB . 26928 2 91 . 1 1 67 67 ASP H H 1 8.466 0.020 . 1 . . . . 290 ASP H . 26928 2 92 . 1 1 67 67 ASP C C 13 176.335 0.300 . 1 . . . . 290 ASP C . 26928 2 93 . 1 1 67 67 ASP CA C 13 53.966 0.300 . 1 . . . . 290 ASP CA . 26928 2 94 . 1 1 67 67 ASP CB C 13 40.700 0.300 . 1 . . . . 290 ASP CB . 26928 2 95 . 1 1 67 67 ASP N N 15 121.549 0.300 . 1 . . . . 290 ASP N . 26928 2 96 . 1 1 68 68 GLY H H 1 8.115 0.020 . 1 . . . . 291 GLY H . 26928 2 97 . 1 1 68 68 GLY C C 13 171.178 0.300 . 1 . . . . 291 GLY C . 26928 2 98 . 1 1 68 68 GLY CA C 13 44.049 0.300 . 1 . . . . 291 GLY CA . 26928 2 99 . 1 1 68 68 GLY N N 15 108.876 0.300 . 1 . . . . 291 GLY N . 26928 2 100 . 1 1 70 70 PRO C C 13 177.018 0.300 . 1 . . . . 293 PRO C . 26928 2 101 . 1 1 70 70 PRO CA C 13 62.473 0.300 . 1 . . . . 293 PRO CA . 26928 2 102 . 1 1 70 70 PRO CB C 13 30.922 0.300 . 1 . . . . 293 PRO CB . 26928 2 103 . 1 1 71 71 MET H H 1 8.459 0.020 . 1 . . . . 294 MET H . 26928 2 104 . 1 1 71 71 MET C C 13 176.067 0.300 . 1 . . . . 294 MET C . 26928 2 105 . 1 1 71 71 MET CA C 13 54.938 0.300 . 1 . . . . 294 MET CA . 26928 2 106 . 1 1 71 71 MET CB C 13 31.889 0.300 . 1 . . . . 294 MET CB . 26928 2 107 . 1 1 71 71 MET N N 15 120.657 0.300 . 1 . . . . 294 MET N . 26928 2 108 . 1 1 72 72 ARG H H 1 8.369 0.020 . 1 . . . . 295 ARG H . 26928 2 109 . 1 1 72 72 ARG C C 13 175.214 0.300 . 1 . . . . 295 ARG C . 26928 2 110 . 1 1 72 72 ARG CA C 13 55.406 0.300 . 1 . . . . 295 ARG CA . 26928 2 111 . 1 1 72 72 ARG CB C 13 29.908 0.300 . 1 . . . . 295 ARG CB . 26928 2 112 . 1 1 72 72 ARG N N 15 123.013 0.300 . 1 . . . . 295 ARG N . 26928 2 113 . 1 1 73 73 GLU H H 1 8.089 0.020 . 1 . . . . 296 GLU H . 26928 2 114 . 1 1 73 73 GLU C C 13 181.085 0.300 . 1 . . . . 296 GLU C . 26928 2 115 . 1 1 73 73 GLU CA C 13 57.573 0.300 . 1 . . . . 296 GLU CA . 26928 2 116 . 1 1 73 73 GLU CB C 13 30.157 0.300 . 1 . . . . 296 GLU CB . 26928 2 117 . 1 1 73 73 GLU N N 15 127.304 0.300 . 1 . . . . 296 GLU N . 26928 2 stop_ save_ ################################### # 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_3 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_3 _Assigned_chem_shift_list.Entry_ID 26928 _Assigned_chem_shift_list.ID 3 _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 0.1 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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' . . . 26928 3 2 '3D HNCACB' . . . 26928 3 4 '3D HNCA' . . . 26928 3 6 '3D HNCO' . . . 26928 3 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 $NMRPipe . . 26928 3 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 . 2 2 2 2 GLY C C 13 173.719 0.300 . 1 . . . . 2 GLY C . 26928 3 2 . 2 2 2 2 GLY CA C 13 44.735 0.300 . 1 . . . . 2 GLY CA . 26928 3 3 . 2 2 3 3 ALA H H 1 8.139 0.020 . 1 . . . . 3 ALA H . 26928 3 4 . 2 2 3 3 ALA C C 13 177.759 0.300 . 1 . . . . 3 ALA C . 26928 3 5 . 2 2 3 3 ALA CA C 13 51.865 0.300 . 1 . . . . 3 ALA CA . 26928 3 6 . 2 2 3 3 ALA CB C 13 18.368 0.300 . 1 . . . . 3 ALA CB . 26928 3 7 . 2 2 3 3 ALA N N 15 123.686 0.300 . 1 . . . . 3 ALA N . 26928 3 8 . 2 2 4 4 LEU H H 1 8.073 0.020 . 1 . . . . 4 LEU H . 26928 3 9 . 2 2 4 4 LEU C C 13 177.004 0.300 . 1 . . . . 4 LEU C . 26928 3 10 . 2 2 4 4 LEU CA C 13 54.921 0.300 . 1 . . . . 4 LEU CA . 26928 3 11 . 2 2 4 4 LEU CB C 13 41.054 0.300 . 1 . . . . 4 LEU CB . 26928 3 12 . 2 2 4 4 LEU N N 15 120.534 0.300 . 1 . . . . 4 LEU N . 26928 3 13 . 2 2 5 5 TRP H H 1 7.656 0.020 . 1 . . . . 5 TRP H . 26928 3 14 . 2 2 5 5 TRP C C 13 175.610 0.300 . 1 . . . . 5 TRP C . 26928 3 15 . 2 2 5 5 TRP CA C 13 56.273 0.300 . 1 . . . . 5 TRP CA . 26928 3 16 . 2 2 5 5 TRP CB C 13 28.947 0.300 . 1 . . . . 5 TRP CB . 26928 3 17 . 2 2 5 5 TRP N N 15 118.838 0.300 . 1 . . . . 5 TRP N . 26928 3 18 . 2 2 6 6 ASP H H 1 8.090 0.020 . 1 . . . . 6 ASP H . 26928 3 19 . 2 2 6 6 ASP C C 13 175.453 0.300 . 1 . . . . 6 ASP C . 26928 3 20 . 2 2 6 6 ASP CA C 13 53.602 0.300 . 1 . . . . 6 ASP CA . 26928 3 21 . 2 2 6 6 ASP CB C 13 40.550 0.300 . 1 . . . . 6 ASP CB . 26928 3 22 . 2 2 6 6 ASP N N 15 121.520 0.300 . 1 . . . . 6 ASP N . 26928 3 23 . 2 2 7 7 VAL H H 1 7.908 0.020 . 1 . . . . 7 VAL H . 26928 3 24 . 2 2 7 7 VAL C C 13 174.434 0.300 . 1 . . . . 7 VAL C . 26928 3 25 . 2 2 7 7 VAL CA C 13 59.344 0.300 . 1 . . . . 7 VAL CA . 26928 3 26 . 2 2 7 7 VAL CB C 13 32.066 0.300 . 1 . . . . 7 VAL CB . 26928 3 27 . 2 2 7 7 VAL N N 15 121.215 0.300 . 1 . . . . 7 VAL N . 26928 3 28 . 2 2 8 8 PRO C C 13 176.252 0.300 . 1 . . . . 8 PRO C . 26928 3 29 . 2 2 8 8 PRO CA C 13 62.480 0.300 . 1 . . . . 8 PRO CA . 26928 3 30 . 2 2 8 8 PRO CB C 13 31.225 0.300 . 1 . . . . 8 PRO CB . 26928 3 31 . 2 2 9 9 ALA H H 1 8.349 0.020 . 1 . . . . 9 ALA H . 26928 3 32 . 2 2 9 9 ALA C C 13 175.645 0.300 . 1 . . . . 9 ALA C . 26928 3 33 . 2 2 9 9 ALA CA C 13 49.920 0.300 . 1 . . . . 9 ALA CA . 26928 3 34 . 2 2 9 9 ALA CB C 13 17.126 0.300 . 1 . . . . 9 ALA CB . 26928 3 35 . 2 2 9 9 ALA N N 15 125.327 0.300 . 1 . . . . 9 ALA N . 26928 3 36 . 2 2 12 12 GLU C C 13 176.170 0.300 . 1 . . . . 12 GLU C . 26928 3 37 . 2 2 12 12 GLU CA C 13 55.758 0.300 . 1 . . . . 12 GLU CA . 26928 3 38 . 2 2 12 12 GLU CB C 13 29.429 0.300 . 1 . . . . 12 GLU CB . 26928 3 39 . 2 2 13 13 VAL H H 1 8.281 0.020 . 1 . . . . 13 VAL H . 26928 3 40 . 2 2 13 13 VAL C C 13 176.009 0.300 . 1 . . . . 13 VAL C . 26928 3 41 . 2 2 13 13 VAL CA C 13 61.852 0.300 . 1 . . . . 13 VAL CA . 26928 3 42 . 2 2 13 13 VAL CB C 13 32.302 0.300 . 1 . . . . 13 VAL CB . 26928 3 43 . 2 2 13 13 VAL N N 15 122.332 0.300 . 1 . . . . 13 VAL N . 26928 3 44 . 2 2 14 14 LYS H H 1 8.460 0.020 . 1 . . . . 14 LYS H . 26928 3 45 . 2 2 14 14 LYS C C 13 176.334 0.300 . 1 . . . . 14 LYS C . 26928 3 46 . 2 2 14 14 LYS CA C 13 55.300 0.300 . 1 . . . . 14 LYS CA . 26928 3 47 . 2 2 14 14 LYS CB C 13 32.139 0.300 . 1 . . . . 14 LYS CB . 26928 3 48 . 2 2 14 14 LYS N N 15 125.741 0.300 . 1 . . . . 14 LYS N . 26928 3 49 . 2 2 15 15 LYS H H 1 8.497 0.020 . 1 . . . . 15 LYS H . 26928 3 50 . 2 2 15 15 LYS C C 13 177.444 0.300 . 1 . . . . 15 LYS C . 26928 3 51 . 2 2 15 15 LYS CA C 13 56.008 0.300 . 1 . . . . 15 LYS CA . 26928 3 52 . 2 2 15 15 LYS CB C 13 32.157 0.300 . 1 . . . . 15 LYS CB . 26928 3 53 . 2 2 15 15 LYS N N 15 123.210 0.300 . 1 . . . . 15 LYS N . 26928 3 54 . 2 2 16 16 GLY H H 1 8.501 0.020 . 1 . . . . 16 GLY H . 26928 3 55 . 2 2 16 16 GLY C C 13 172.993 0.300 . 1 . . . . 16 GLY C . 26928 3 56 . 2 2 16 16 GLY CA C 13 44.401 0.300 . 1 . . . . 16 GLY CA . 26928 3 57 . 2 2 16 16 GLY N N 15 109.731 0.300 . 1 . . . . 16 GLY N . 26928 3 58 . 2 2 17 17 GLU H H 1 7.819 0.020 . 1 . . . . 17 GLU H . 26928 3 59 . 2 2 17 17 GLU C C 13 177.498 0.300 . 1 . . . . 17 GLU C . 26928 3 60 . 2 2 17 17 GLU CA C 13 56.339 0.300 . 1 . . . . 17 GLU CA . 26928 3 61 . 2 2 17 17 GLU CB C 13 29.177 0.300 . 1 . . . . 17 GLU CB . 26928 3 62 . 2 2 17 17 GLU N N 15 121.066 0.300 . 1 . . . . 17 GLU N . 26928 3 63 . 2 2 18 18 THR H H 1 8.489 0.020 . 1 . . . . 18 THR H . 26928 3 64 . 2 2 18 18 THR C C 13 174.160 0.300 . 1 . . . . 18 THR C . 26928 3 65 . 2 2 18 18 THR CA C 13 60.004 0.300 . 1 . . . . 18 THR CA . 26928 3 66 . 2 2 18 18 THR CB C 13 68.683 0.300 . 1 . . . . 18 THR CB . 26928 3 67 . 2 2 18 18 THR N N 15 113.757 0.300 . 1 . . . . 18 THR N . 26928 3 68 . 2 2 19 19 THR H H 1 7.732 0.020 . 1 . . . . 19 THR H . 26928 3 69 . 2 2 19 19 THR C C 13 175.835 0.300 . 1 . . . . 19 THR C . 26928 3 70 . 2 2 19 19 THR CA C 13 62.364 0.300 . 1 . . . . 19 THR CA . 26928 3 71 . 2 2 19 19 THR CB C 13 68.910 0.300 . 1 . . . . 19 THR CB . 26928 3 72 . 2 2 19 19 THR N N 15 116.673 0.300 . 1 . . . . 19 THR N . 26928 3 73 . 2 2 20 20 ASP H H 1 8.938 0.020 . 1 . . . . 20 ASP H . 26928 3 74 . 2 2 20 20 ASP C C 13 176.878 0.300 . 1 . . . . 20 ASP C . 26928 3 75 . 2 2 20 20 ASP CA C 13 55.139 0.300 . 1 . . . . 20 ASP CA . 26928 3 76 . 2 2 20 20 ASP CB C 13 40.089 0.300 . 1 . . . . 20 ASP CB . 26928 3 77 . 2 2 20 20 ASP N N 15 126.729 0.300 . 1 . . . . 20 ASP N . 26928 3 78 . 2 2 21 21 GLY H H 1 8.729 0.020 . 1 . . . . 21 GLY H . 26928 3 79 . 2 2 21 21 GLY C C 13 171.466 0.300 . 1 . . . . 21 GLY C . 26928 3 80 . 2 2 21 21 GLY CA C 13 44.917 0.300 . 1 . . . . 21 GLY CA . 26928 3 81 . 2 2 21 21 GLY N N 15 106.861 0.300 . 1 . . . . 21 GLY N . 26928 3 82 . 2 2 22 22 VAL H H 1 8.671 0.020 . 1 . . . . 22 VAL H . 26928 3 83 . 2 2 22 22 VAL CA C 13 58.973 0.300 . 1 . . . . 22 VAL CA . 26928 3 84 . 2 2 22 22 VAL CB C 13 33.569 0.300 . 1 . . . . 22 VAL CB . 26928 3 85 . 2 2 22 22 VAL N N 15 118.714 0.300 . 1 . . . . 22 VAL N . 26928 3 86 . 2 2 23 23 TYR C C 13 174.898 0.300 . 1 . . . . 23 TYR C . 26928 3 87 . 2 2 23 23 TYR CA C 13 56.285 0.300 . 1 . . . . 23 TYR CA . 26928 3 88 . 2 2 24 24 ARG H H 1 9.162 0.020 . 1 . . . . 24 ARG H . 26928 3 89 . 2 2 24 24 ARG C C 13 175.319 0.300 . 1 . . . . 24 ARG C . 26928 3 90 . 2 2 24 24 ARG CA C 13 55.607 0.300 . 1 . . . . 24 ARG CA . 26928 3 91 . 2 2 24 24 ARG CB C 13 31.799 0.300 . 1 . . . . 24 ARG CB . 26928 3 92 . 2 2 24 24 ARG N N 15 118.332 0.300 . 1 . . . . 24 ARG N . 26928 3 93 . 2 2 25 25 VAL H H 1 9.204 0.020 . 1 . . . . 25 VAL H . 26928 3 94 . 2 2 25 25 VAL C C 13 174.039 0.300 . 1 . . . . 25 VAL C . 26928 3 95 . 2 2 25 25 VAL CA C 13 61.960 0.300 . 1 . . . . 25 VAL CA . 26928 3 96 . 2 2 25 25 VAL N N 15 123.534 0.300 . 1 . . . . 25 VAL N . 26928 3 97 . 2 2 26 26 MET H H 1 8.978 0.020 . 1 . . . . 26 MET H . 26928 3 98 . 2 2 26 26 MET C C 13 175.641 0.300 . 1 . . . . 26 MET C . 26928 3 99 . 2 2 26 26 MET CA C 13 51.420 0.300 . 1 . . . . 26 MET CA . 26928 3 100 . 2 2 26 26 MET CB C 13 32.089 0.300 . 1 . . . . 26 MET CB . 26928 3 101 . 2 2 26 26 MET N N 15 125.348 0.300 . 1 . . . . 26 MET N . 26928 3 102 . 2 2 27 27 THR H H 1 8.900 0.020 . 1 . . . . 27 THR H . 26928 3 103 . 2 2 27 27 THR C C 13 173.593 0.300 . 1 . . . . 27 THR C . 26928 3 104 . 2 2 27 27 THR CA C 13 59.360 0.300 . 1 . . . . 27 THR CA . 26928 3 105 . 2 2 27 27 THR CB C 13 70.672 0.300 . 1 . . . . 27 THR CB . 26928 3 106 . 2 2 27 27 THR N N 15 111.717 0.300 . 1 . . . . 27 THR N . 26928 3 107 . 2 2 28 28 ARG H H 1 8.660 0.020 . 1 . . . . 28 ARG H . 26928 3 108 . 2 2 28 28 ARG C C 13 175.607 0.300 . 1 . . . . 28 ARG C . 26928 3 109 . 2 2 28 28 ARG CA C 13 56.053 0.300 . 1 . . . . 28 ARG CA . 26928 3 110 . 2 2 28 28 ARG CB C 13 30.231 0.300 . 1 . . . . 28 ARG CB . 26928 3 111 . 2 2 28 28 ARG N N 15 125.870 0.300 . 1 . . . . 28 ARG N . 26928 3 112 . 2 2 29 29 ARG H H 1 8.282 0.020 . 1 . . . . 29 ARG H . 26928 3 113 . 2 2 29 29 ARG C C 13 175.755 0.300 . 1 . . . . 29 ARG C . 26928 3 114 . 2 2 29 29 ARG CA C 13 54.322 0.300 . 1 . . . . 29 ARG CA . 26928 3 115 . 2 2 29 29 ARG CB C 13 30.820 0.300 . 1 . . . . 29 ARG CB . 26928 3 116 . 2 2 29 29 ARG N N 15 124.964 0.300 . 1 . . . . 29 ARG N . 26928 3 117 . 2 2 30 30 LEU C C 13 178.197 0.300 . 1 . . . . 30 LEU C . 26928 3 118 . 2 2 30 30 LEU CA C 13 57.622 0.300 . 1 . . . . 30 LEU CA . 26928 3 119 . 2 2 30 30 LEU CB C 13 40.163 0.300 . 1 . . . . 30 LEU CB . 26928 3 120 . 2 2 31 31 LEU H H 1 8.052 0.020 . 1 . . . . 31 LEU H . 26928 3 121 . 2 2 31 31 LEU C C 13 176.882 0.300 . 1 . . . . 31 LEU C . 26928 3 122 . 2 2 31 31 LEU CA C 13 54.455 0.300 . 1 . . . . 31 LEU CA . 26928 3 123 . 2 2 31 31 LEU CB C 13 40.646 0.300 . 1 . . . . 31 LEU CB . 26928 3 124 . 2 2 31 31 LEU N N 15 116.593 0.300 . 1 . . . . 31 LEU N . 26928 3 125 . 2 2 32 32 GLY H H 1 7.729 0.020 . 1 . . . . 32 GLY H . 26928 3 126 . 2 2 32 32 GLY C C 13 173.024 0.300 . 1 . . . . 32 GLY C . 26928 3 127 . 2 2 32 32 GLY CA C 13 44.541 0.300 . 1 . . . . 32 GLY CA . 26928 3 128 . 2 2 32 32 GLY N N 15 108.178 0.300 . 1 . . . . 32 GLY N . 26928 3 129 . 2 2 33 33 SER H H 1 8.609 0.020 . 1 . . . . 33 SER H . 26928 3 130 . 2 2 33 33 SER C C 13 173.755 0.300 . 1 . . . . 33 SER C . 26928 3 131 . 2 2 33 33 SER CA C 13 57.460 0.300 . 1 . . . . 33 SER CA . 26928 3 132 . 2 2 33 33 SER CB C 13 65.299 0.300 . 1 . . . . 33 SER CB . 26928 3 133 . 2 2 33 33 SER N N 15 116.759 0.300 . 1 . . . . 33 SER N . 26928 3 134 . 2 2 34 34 THR H H 1 8.778 0.020 . 1 . . . . 34 THR H . 26928 3 135 . 2 2 34 34 THR C C 13 172.407 0.300 . 1 . . . . 34 THR C . 26928 3 136 . 2 2 34 34 THR CA C 13 60.685 0.300 . 1 . . . . 34 THR CA . 26928 3 137 . 2 2 34 34 THR CB C 13 71.503 0.300 . 1 . . . . 34 THR CB . 26928 3 138 . 2 2 34 34 THR N N 15 117.663 0.300 . 1 . . . . 34 THR N . 26928 3 139 . 2 2 35 35 GLN H H 1 8.995 0.020 . 1 . . . . 35 GLN H . 26928 3 140 . 2 2 35 35 GLN C C 13 175.564 0.300 . 1 . . . . 35 GLN C . 26928 3 141 . 2 2 35 35 GLN CA C 13 55.897 0.300 . 1 . . . . 35 GLN CA . 26928 3 142 . 2 2 35 35 GLN CB C 13 28.878 0.300 . 1 . . . . 35 GLN CB . 26928 3 143 . 2 2 35 35 GLN N N 15 127.406 0.300 . 1 . . . . 35 GLN N . 26928 3 144 . 2 2 36 36 VAL H H 1 8.951 0.020 . 1 . . . . 36 VAL H . 26928 3 145 . 2 2 36 36 VAL C C 13 175.377 0.300 . 1 . . . . 36 VAL C . 26928 3 146 . 2 2 36 36 VAL CA C 13 60.820 0.300 . 1 . . . . 36 VAL CA . 26928 3 147 . 2 2 36 36 VAL CB C 13 32.028 0.300 . 1 . . . . 36 VAL CB . 26928 3 148 . 2 2 36 36 VAL N N 15 120.855 0.300 . 1 . . . . 36 VAL N . 26928 3 149 . 2 2 37 37 GLY H H 1 7.925 0.020 . 1 . . . . 37 GLY H . 26928 3 150 . 2 2 37 37 GLY C C 13 170.152 0.300 . 1 . . . . 37 GLY C . 26928 3 151 . 2 2 37 37 GLY CA C 13 45.894 0.300 . 1 . . . . 37 GLY CA . 26928 3 152 . 2 2 37 37 GLY N N 15 109.120 0.300 . 1 . . . . 37 GLY N . 26928 3 153 . 2 2 38 38 VAL H H 1 8.735 0.020 . 1 . . . . 38 VAL H . 26928 3 154 . 2 2 38 38 VAL C C 13 174.466 0.300 . 1 . . . . 38 VAL C . 26928 3 155 . 2 2 38 38 VAL CA C 13 60.129 0.300 . 1 . . . . 38 VAL CA . 26928 3 156 . 2 2 38 38 VAL CB C 13 35.216 0.300 . 1 . . . . 38 VAL CB . 26928 3 157 . 2 2 38 38 VAL N N 15 122.193 0.300 . 1 . . . . 38 VAL N . 26928 3 158 . 2 2 39 39 GLY H H 1 9.099 0.020 . 1 . . . . 39 GLY H . 26928 3 159 . 2 2 39 39 GLY C C 13 172.058 0.300 . 1 . . . . 39 GLY C . 26928 3 160 . 2 2 39 39 GLY CA C 13 46.045 0.300 . 1 . . . . 39 GLY CA . 26928 3 161 . 2 2 39 39 GLY N N 15 109.761 0.300 . 1 . . . . 39 GLY N . 26928 3 162 . 2 2 40 40 VAL H H 1 8.736 0.020 . 1 . . . . 40 VAL H . 26928 3 163 . 2 2 40 40 VAL C C 13 174.792 0.300 . 1 . . . . 40 VAL C . 26928 3 164 . 2 2 40 40 VAL CA C 13 60.405 0.300 . 1 . . . . 40 VAL CA . 26928 3 165 . 2 2 40 40 VAL CB C 13 35.249 0.300 . 1 . . . . 40 VAL CB . 26928 3 166 . 2 2 40 40 VAL N N 15 116.572 0.300 . 1 . . . . 40 VAL N . 26928 3 167 . 2 2 41 41 MET H H 1 9.898 0.020 . 1 . . . . 41 MET H . 26928 3 168 . 2 2 41 41 MET C C 13 175.015 0.300 . 1 . . . . 41 MET C . 26928 3 169 . 2 2 41 41 MET CA C 13 52.975 0.300 . 1 . . . . 41 MET CA . 26928 3 170 . 2 2 41 41 MET N N 15 133.420 0.300 . 1 . . . . 41 MET N . 26928 3 171 . 2 2 42 42 GLN H H 1 9.323 0.020 . 1 . . . . 42 GLN H . 26928 3 172 . 2 2 42 42 GLN C C 13 174.584 0.300 . 1 . . . . 42 GLN C . 26928 3 173 . 2 2 42 42 GLN CA C 13 56.097 0.300 . 1 . . . . 42 GLN CA . 26928 3 174 . 2 2 42 42 GLN CB C 13 31.944 0.300 . 1 . . . . 42 GLN CB . 26928 3 175 . 2 2 42 42 GLN N N 15 129.025 0.300 . 1 . . . . 42 GLN N . 26928 3 176 . 2 2 43 43 GLU H H 1 9.440 0.020 . 1 . . . . 43 GLU H . 26928 3 177 . 2 2 43 43 GLU C C 13 175.907 0.300 . 1 . . . . 43 GLU C . 26928 3 178 . 2 2 43 43 GLU CA C 13 57.053 0.300 . 1 . . . . 43 GLU CA . 26928 3 179 . 2 2 43 43 GLU CB C 13 27.340 0.300 . 1 . . . . 43 GLU CB . 26928 3 180 . 2 2 43 43 GLU N N 15 124.793 0.300 . 1 . . . . 43 GLU N . 26928 3 181 . 2 2 44 44 GLY H H 1 9.324 0.020 . 1 . . . . 44 GLY H . 26928 3 182 . 2 2 44 44 GLY C C 13 172.690 0.300 . 1 . . . . 44 GLY C . 26928 3 183 . 2 2 44 44 GLY CA C 13 44.955 0.300 . 1 . . . . 44 GLY CA . 26928 3 184 . 2 2 44 44 GLY N N 15 104.525 0.300 . 1 . . . . 44 GLY N . 26928 3 185 . 2 2 45 45 VAL H H 1 7.554 0.020 . 1 . . . . 45 VAL H . 26928 3 186 . 2 2 45 45 VAL C C 13 175.149 0.300 . 1 . . . . 45 VAL C . 26928 3 187 . 2 2 45 45 VAL CA C 13 60.257 0.300 . 1 . . . . 45 VAL CA . 26928 3 188 . 2 2 45 45 VAL CB C 13 34.230 0.300 . 1 . . . . 45 VAL CB . 26928 3 189 . 2 2 45 45 VAL N N 15 119.724 0.300 . 1 . . . . 45 VAL N . 26928 3 190 . 2 2 46 46 PHE H H 1 7.978 0.020 . 1 . . . . 46 PHE H . 26928 3 191 . 2 2 46 46 PHE CA C 13 56.727 0.300 . 1 . . . . 46 PHE CA . 26928 3 192 . 2 2 46 46 PHE CB C 13 40.014 0.300 . 1 . . . . 46 PHE CB . 26928 3 193 . 2 2 46 46 PHE N N 15 125.606 0.300 . 1 . . . . 46 PHE N . 26928 3 194 . 2 2 50 50 TRP H H 1 7.365 0.020 . 1 . . . . 50 TRP H . 26928 3 195 . 2 2 50 50 TRP C C 13 179.087 0.300 . 1 . . . . 50 TRP C . 26928 3 196 . 2 2 50 50 TRP CA C 13 60.951 0.300 . 1 . . . . 50 TRP CA . 26928 3 197 . 2 2 50 50 TRP CB C 13 27.178 0.300 . 1 . . . . 50 TRP CB . 26928 3 198 . 2 2 50 50 TRP N N 15 125.410 0.300 . 1 . . . . 50 TRP N . 26928 3 199 . 2 2 51 51 HIS H H 1 10.257 0.020 . 1 . . . . 51 HIS H . 26928 3 200 . 2 2 51 51 HIS C C 13 175.387 0.300 . 1 . . . . 51 HIS C . 26928 3 201 . 2 2 51 51 HIS CA C 13 58.735 0.300 . 1 . . . . 51 HIS CA . 26928 3 202 . 2 2 51 51 HIS CB C 13 26.654 0.300 . 1 . . . . 51 HIS CB . 26928 3 203 . 2 2 51 51 HIS N N 15 113.413 0.300 . 1 . . . . 51 HIS N . 26928 3 204 . 2 2 52 52 VAL H H 1 6.950 0.020 . 1 . . . . 52 VAL H . 26928 3 205 . 2 2 52 52 VAL C C 13 175.476 0.300 . 1 . . . . 52 VAL C . 26928 3 206 . 2 2 52 52 VAL CA C 13 64.742 0.300 . 1 . . . . 52 VAL CA . 26928 3 207 . 2 2 52 52 VAL CB C 13 30.579 0.300 . 1 . . . . 52 VAL CB . 26928 3 208 . 2 2 52 52 VAL N N 15 119.185 0.300 . 1 . . . . 52 VAL N . 26928 3 209 . 2 2 53 53 THR H H 1 6.408 0.020 . 1 . . . . 53 THR H . 26928 3 210 . 2 2 53 53 THR C C 13 175.869 0.300 . 1 . . . . 53 THR C . 26928 3 211 . 2 2 53 53 THR CA C 13 59.907 0.300 . 1 . . . . 53 THR CA . 26928 3 212 . 2 2 53 53 THR CB C 13 70.102 0.300 . 1 . . . . 53 THR CB . 26928 3 213 . 2 2 53 53 THR N N 15 101.515 0.300 . 1 . . . . 53 THR N . 26928 3 214 . 2 2 54 54 LYS H H 1 9.252 0.020 . 1 . . . . 54 LYS H . 26928 3 215 . 2 2 54 54 LYS C C 13 175.734 0.300 . 1 . . . . 54 LYS C . 26928 3 216 . 2 2 54 54 LYS CA C 13 55.589 0.300 . 1 . . . . 54 LYS CA . 26928 3 217 . 2 2 54 54 LYS CB C 13 28.327 0.300 . 1 . . . . 54 LYS CB . 26928 3 218 . 2 2 54 54 LYS N N 15 122.053 0.300 . 1 . . . . 54 LYS N . 26928 3 219 . 2 2 55 55 GLY H H 1 6.984 0.020 . 1 . . . . 55 GLY H . 26928 3 220 . 2 2 55 55 GLY C C 13 172.960 0.300 . 1 . . . . 55 GLY C . 26928 3 221 . 2 2 55 55 GLY CA C 13 44.672 0.300 . 1 . . . . 55 GLY CA . 26928 3 222 . 2 2 55 55 GLY N N 15 101.274 0.300 . 1 . . . . 55 GLY N . 26928 3 223 . 2 2 56 56 ALA H H 1 7.331 0.020 . 1 . . . . 56 ALA H . 26928 3 224 . 2 2 56 56 ALA C C 13 177.775 0.300 . 1 . . . . 56 ALA C . 26928 3 225 . 2 2 56 56 ALA CA C 13 51.530 0.300 . 1 . . . . 56 ALA CA . 26928 3 226 . 2 2 56 56 ALA CB C 13 18.909 0.300 . 1 . . . . 56 ALA CB . 26928 3 227 . 2 2 56 56 ALA N N 15 121.093 0.300 . 1 . . . . 56 ALA N . 26928 3 228 . 2 2 57 57 ALA H H 1 8.605 0.020 . 1 . . . . 57 ALA H . 26928 3 229 . 2 2 57 57 ALA C C 13 175.781 0.300 . 1 . . . . 57 ALA C . 26928 3 230 . 2 2 57 57 ALA CA C 13 52.718 0.300 . 1 . . . . 57 ALA CA . 26928 3 231 . 2 2 57 57 ALA CB C 13 18.219 0.300 . 1 . . . . 57 ALA CB . 26928 3 232 . 2 2 57 57 ALA N N 15 122.871 0.300 . 1 . . . . 57 ALA N . 26928 3 233 . 2 2 58 58 LEU H H 1 8.071 0.020 . 1 . . . . 58 LEU H . 26928 3 234 . 2 2 58 58 LEU C C 13 176.274 0.300 . 1 . . . . 58 LEU C . 26928 3 235 . 2 2 58 58 LEU CA C 13 51.726 0.300 . 1 . . . . 58 LEU CA . 26928 3 236 . 2 2 58 58 LEU CB C 13 45.157 0.300 . 1 . . . . 58 LEU CB . 26928 3 237 . 2 2 58 58 LEU N N 15 116.274 0.300 . 1 . . . . 58 LEU N . 26928 3 238 . 2 2 59 59 ARG H H 1 8.667 0.020 . 1 . . . . 59 ARG H . 26928 3 239 . 2 2 59 59 ARG C C 13 175.229 0.300 . 1 . . . . 59 ARG C . 26928 3 240 . 2 2 59 59 ARG CA C 13 55.423 0.300 . 1 . . . . 59 ARG CA . 26928 3 241 . 2 2 59 59 ARG CB C 13 29.638 0.300 . 1 . . . . 59 ARG CB . 26928 3 242 . 2 2 59 59 ARG N N 15 122.353 0.300 . 1 . . . . 59 ARG N . 26928 3 243 . 2 2 60 60 SER H H 1 8.037 0.020 . 1 . . . . 60 SER H . 26928 3 244 . 2 2 60 60 SER C C 13 175.326 0.300 . 1 . . . . 60 SER C . 26928 3 245 . 2 2 60 60 SER CA C 13 55.350 0.300 . 1 . . . . 60 SER CA . 26928 3 246 . 2 2 60 60 SER CB C 13 62.628 0.300 . 1 . . . . 60 SER CB . 26928 3 247 . 2 2 60 60 SER N N 15 117.045 0.300 . 1 . . . . 60 SER N . 26928 3 248 . 2 2 61 61 GLY H H 1 9.415 0.020 . 1 . . . . 61 GLY H . 26928 3 249 . 2 2 61 61 GLY C C 13 175.016 0.300 . 1 . . . . 61 GLY C . 26928 3 250 . 2 2 61 61 GLY CA C 13 46.525 0.300 . 1 . . . . 61 GLY CA . 26928 3 251 . 2 2 61 61 GLY N N 15 118.635 0.300 . 1 . . . . 61 GLY N . 26928 3 252 . 2 2 62 62 GLU H H 1 9.091 0.020 . 1 . . . . 62 GLU H . 26928 3 253 . 2 2 62 62 GLU C C 13 176.503 0.300 . 1 . . . . 62 GLU C . 26928 3 254 . 2 2 62 62 GLU CA C 13 55.927 0.300 . 1 . . . . 62 GLU CA . 26928 3 255 . 2 2 62 62 GLU CB C 13 29.274 0.300 . 1 . . . . 62 GLU CB . 26928 3 256 . 2 2 62 62 GLU N N 15 125.493 0.300 . 1 . . . . 62 GLU N . 26928 3 257 . 2 2 63 63 GLY H H 1 7.829 0.020 . 1 . . . . 63 GLY H . 26928 3 258 . 2 2 63 63 GLY C C 13 172.155 0.300 . 1 . . . . 63 GLY C . 26928 3 259 . 2 2 63 63 GLY CA C 13 43.870 0.300 . 1 . . . . 63 GLY CA . 26928 3 260 . 2 2 63 63 GLY N N 15 106.918 0.300 . 1 . . . . 63 GLY N . 26928 3 261 . 2 2 64 64 ARG H H 1 8.437 0.020 . 1 . . . . 64 ARG H . 26928 3 262 . 2 2 64 64 ARG C C 13 175.020 0.300 . 1 . . . . 64 ARG C . 26928 3 263 . 2 2 64 64 ARG CA C 13 54.483 0.300 . 1 . . . . 64 ARG CA . 26928 3 264 . 2 2 64 64 ARG CB C 13 32.742 0.300 . 1 . . . . 64 ARG CB . 26928 3 265 . 2 2 64 64 ARG N N 15 121.014 0.300 . 1 . . . . 64 ARG N . 26928 3 266 . 2 2 65 65 LEU H H 1 9.689 0.020 . 1 . . . . 65 LEU H . 26928 3 267 . 2 2 65 65 LEU C C 13 175.287 0.300 . 1 . . . . 65 LEU C . 26928 3 268 . 2 2 65 65 LEU CA C 13 53.243 0.300 . 1 . . . . 65 LEU CA . 26928 3 269 . 2 2 65 65 LEU CB C 13 41.328 0.300 . 1 . . . . 65 LEU CB . 26928 3 270 . 2 2 65 65 LEU N N 15 124.912 0.300 . 1 . . . . 65 LEU N . 26928 3 271 . 2 2 66 66 ASP H H 1 7.538 0.020 . 1 . . . . 66 ASP H . 26928 3 272 . 2 2 66 66 ASP CA C 13 51.717 0.300 . 1 . . . . 66 ASP CA . 26928 3 273 . 2 2 66 66 ASP CB C 13 41.438 0.300 . 1 . . . . 66 ASP CB . 26928 3 274 . 2 2 66 66 ASP N N 15 122.890 0.300 . 1 . . . . 66 ASP N . 26928 3 275 . 2 2 67 67 PRO C C 13 174.679 0.300 . 1 . . . . 67 PRO C . 26928 3 276 . 2 2 67 67 PRO CA C 13 62.682 0.300 . 1 . . . . 67 PRO CA . 26928 3 277 . 2 2 67 67 PRO CB C 13 29.867 0.300 . 1 . . . . 67 PRO CB . 26928 3 278 . 2 2 68 68 TYR H H 1 9.642 0.020 . 1 . . . . 68 TYR H . 26928 3 279 . 2 2 68 68 TYR CA C 13 58.552 0.300 . 1 . . . . 68 TYR CA . 26928 3 280 . 2 2 68 68 TYR CB C 13 41.686 0.300 . 1 . . . . 68 TYR CB . 26928 3 281 . 2 2 68 68 TYR N N 15 124.641 0.300 . 1 . . . . 68 TYR N . 26928 3 282 . 2 2 69 69 TRP H H 1 8.071 0.020 . 1 . . . . 69 TRP H . 26928 3 283 . 2 2 69 69 TRP C C 13 172.982 0.300 . 1 . . . . 69 TRP C . 26928 3 284 . 2 2 69 69 TRP CA C 13 56.378 0.300 . 1 . . . . 69 TRP CA . 26928 3 285 . 2 2 69 69 TRP CB C 13 31.044 0.300 . 1 . . . . 69 TRP CB . 26928 3 286 . 2 2 69 69 TRP N N 15 121.435 0.300 . 1 . . . . 69 TRP N . 26928 3 287 . 2 2 70 70 GLY H H 1 7.043 0.020 . 1 . . . . 70 GLY H . 26928 3 288 . 2 2 70 70 GLY C C 13 170.447 0.300 . 1 . . . . 70 GLY C . 26928 3 289 . 2 2 70 70 GLY CA C 13 45.130 0.300 . 1 . . . . 70 GLY CA . 26928 3 290 . 2 2 70 70 GLY N N 15 111.655 0.300 . 1 . . . . 70 GLY N . 26928 3 291 . 2 2 71 71 ASP H H 1 7.866 0.020 . 1 . . . . 71 ASP H . 26928 3 292 . 2 2 71 71 ASP C C 13 176.022 0.300 . 1 . . . . 71 ASP C . 26928 3 293 . 2 2 71 71 ASP CA C 13 52.737 0.300 . 1 . . . . 71 ASP CA . 26928 3 294 . 2 2 71 71 ASP CB C 13 43.536 0.300 . 1 . . . . 71 ASP CB . 26928 3 295 . 2 2 71 71 ASP N N 15 118.072 0.300 . 1 . . . . 71 ASP N . 26928 3 296 . 2 2 72 72 VAL H H 1 8.172 0.020 . 1 . . . . 72 VAL H . 26928 3 297 . 2 2 72 72 VAL C C 13 177.725 0.300 . 1 . . . . 72 VAL C . 26928 3 298 . 2 2 72 72 VAL CA C 13 64.732 0.300 . 1 . . . . 72 VAL CA . 26928 3 299 . 2 2 72 72 VAL CB C 13 30.851 0.300 . 1 . . . . 72 VAL CB . 26928 3 300 . 2 2 72 72 VAL N N 15 125.293 0.300 . 1 . . . . 72 VAL N . 26928 3 301 . 2 2 73 73 LYS H H 1 7.852 0.020 . 1 . . . . 73 LYS H . 26928 3 302 . 2 2 73 73 LYS C C 13 178.958 0.300 . 1 . . . . 73 LYS C . 26928 3 303 . 2 2 73 73 LYS CA C 13 58.604 0.300 . 1 . . . . 73 LYS CA . 26928 3 304 . 2 2 73 73 LYS CB C 13 30.827 0.300 . 1 . . . . 73 LYS CB . 26928 3 305 . 2 2 73 73 LYS N N 15 121.041 0.300 . 1 . . . . 73 LYS N . 26928 3 306 . 2 2 74 74 GLN C C 13 175.952 0.300 . 1 . . . . 74 GLN C . 26928 3 307 . 2 2 74 74 GLN CA C 13 56.742 0.300 . 1 . . . . 74 GLN CA . 26928 3 308 . 2 2 74 74 GLN CB C 13 29.345 0.300 . 1 . . . . 74 GLN CB . 26928 3 309 . 2 2 75 75 ASP H H 1 7.885 0.020 . 1 . . . . 75 ASP H . 26928 3 310 . 2 2 75 75 ASP C C 13 175.232 0.300 . 1 . . . . 75 ASP C . 26928 3 311 . 2 2 75 75 ASP CA C 13 54.359 0.300 . 1 . . . . 75 ASP CA . 26928 3 312 . 2 2 75 75 ASP CB C 13 37.973 0.300 . 1 . . . . 75 ASP CB . 26928 3 313 . 2 2 75 75 ASP N N 15 115.276 0.300 . 1 . . . . 75 ASP N . 26928 3 314 . 2 2 76 76 LEU H H 1 7.614 0.020 . 1 . . . . 76 LEU H . 26928 3 315 . 2 2 76 76 LEU C C 13 174.436 0.300 . 1 . . . . 76 LEU C . 26928 3 316 . 2 2 76 76 LEU CA C 13 53.532 0.300 . 1 . . . . 76 LEU CA . 26928 3 317 . 2 2 76 76 LEU CB C 13 47.866 0.300 . 1 . . . . 76 LEU CB . 26928 3 318 . 2 2 76 76 LEU N N 15 116.129 0.300 . 1 . . . . 76 LEU N . 26928 3 319 . 2 2 77 77 VAL C C 13 171.488 0.300 . 1 . . . . 77 VAL C . 26928 3 320 . 2 2 77 77 VAL CA C 13 59.685 0.300 . 1 . . . . 77 VAL CA . 26928 3 321 . 2 2 77 77 VAL CB C 13 35.054 0.300 . 1 . . . . 77 VAL CB . 26928 3 322 . 2 2 78 78 SER H H 1 10.202 0.020 . 1 . . . . 78 SER H . 26928 3 323 . 2 2 78 78 SER C C 13 174.138 0.300 . 1 . . . . 78 SER C . 26928 3 324 . 2 2 78 78 SER CA C 13 56.425 0.300 . 1 . . . . 78 SER CA . 26928 3 325 . 2 2 78 78 SER CB C 13 67.432 0.300 . 1 . . . . 78 SER CB . 26928 3 326 . 2 2 78 78 SER N N 15 120.945 0.300 . 1 . . . . 78 SER N . 26928 3 327 . 2 2 79 79 TYR H H 1 9.555 0.020 . 1 . . . . 79 TYR H . 26928 3 328 . 2 2 79 79 TYR C C 13 176.460 0.300 . 1 . . . . 79 TYR C . 26928 3 329 . 2 2 79 79 TYR CA C 13 57.250 0.300 . 1 . . . . 79 TYR CA . 26928 3 330 . 2 2 79 79 TYR N N 15 121.014 0.300 . 1 . . . . 79 TYR N . 26928 3 331 . 2 2 80 80 CYS H H 1 7.949 0.020 . 1 . . . . 80 CYS H . 26928 3 332 . 2 2 80 80 CYS C C 13 173.278 0.300 . 1 . . . . 80 CYS C . 26928 3 333 . 2 2 80 80 CYS CA C 13 56.781 0.300 . 1 . . . . 80 CYS CA . 26928 3 334 . 2 2 80 80 CYS CB C 13 37.500 0.300 . 1 . . . . 80 CYS CB . 26928 3 335 . 2 2 80 80 CYS N N 15 109.945 0.300 . 1 . . . . 80 CYS N . 26928 3 336 . 2 2 81 81 GLY H H 1 7.285 0.020 . 1 . . . . 81 GLY H . 26928 3 337 . 2 2 81 81 GLY C C 13 167.837 0.300 . 1 . . . . 81 GLY C . 26928 3 338 . 2 2 81 81 GLY CA C 13 44.044 0.300 . 1 . . . . 81 GLY CA . 26928 3 339 . 2 2 81 81 GLY N N 15 108.568 0.300 . 1 . . . . 81 GLY N . 26928 3 340 . 2 2 82 82 PRO C C 13 172.617 0.300 . 1 . . . . 82 PRO C . 26928 3 341 . 2 2 82 82 PRO CA C 13 61.558 0.300 . 1 . . . . 82 PRO CA . 26928 3 342 . 2 2 82 82 PRO CB C 13 31.629 0.300 . 1 . . . . 82 PRO CB . 26928 3 343 . 2 2 83 83 TRP H H 1 7.824 0.020 . 1 . . . . 83 TRP H . 26928 3 344 . 2 2 83 83 TRP C C 13 178.058 0.300 . 1 . . . . 83 TRP C . 26928 3 345 . 2 2 83 83 TRP CA C 13 59.131 0.300 . 1 . . . . 83 TRP CA . 26928 3 346 . 2 2 83 83 TRP CB C 13 28.713 0.300 . 1 . . . . 83 TRP CB . 26928 3 347 . 2 2 83 83 TRP N N 15 117.392 0.300 . 1 . . . . 83 TRP N . 26928 3 348 . 2 2 84 84 LYS H H 1 10.949 0.020 . 1 . . . . 84 LYS H . 26928 3 349 . 2 2 84 84 LYS C C 13 177.142 0.300 . 1 . . . . 84 LYS C . 26928 3 350 . 2 2 84 84 LYS CA C 13 54.382 0.300 . 1 . . . . 84 LYS CA . 26928 3 351 . 2 2 84 84 LYS CB C 13 33.250 0.300 . 1 . . . . 84 LYS CB . 26928 3 352 . 2 2 84 84 LYS N N 15 127.765 0.300 . 1 . . . . 84 LYS N . 26928 3 353 . 2 2 85 85 LEU H H 1 5.719 0.020 . 1 . . . . 85 LEU H . 26928 3 354 . 2 2 85 85 LEU CA C 13 54.503 0.300 . 1 . . . . 85 LEU CA . 26928 3 355 . 2 2 85 85 LEU CB C 13 38.442 0.300 . 1 . . . . 85 LEU CB . 26928 3 356 . 2 2 85 85 LEU N N 15 117.829 0.300 . 1 . . . . 85 LEU N . 26928 3 357 . 2 2 86 86 ASP H H 1 8.243 0.020 . 1 . . . . 86 ASP H . 26928 3 358 . 2 2 86 86 ASP C C 13 176.252 0.300 . 1 . . . . 86 ASP C . 26928 3 359 . 2 2 86 86 ASP CA C 13 52.943 0.300 . 1 . . . . 86 ASP CA . 26928 3 360 . 2 2 86 86 ASP CB C 13 41.740 0.300 . 1 . . . . 86 ASP CB . 26928 3 361 . 2 2 86 86 ASP N N 15 121.808 0.300 . 1 . . . . 86 ASP N . 26928 3 362 . 2 2 87 87 ALA H H 1 8.314 0.020 . 1 . . . . 87 ALA H . 26928 3 363 . 2 2 87 87 ALA C C 13 175.015 0.300 . 1 . . . . 87 ALA C . 26928 3 364 . 2 2 87 87 ALA CA C 13 52.414 0.300 . 1 . . . . 87 ALA CA . 26928 3 365 . 2 2 87 87 ALA CB C 13 19.052 0.300 . 1 . . . . 87 ALA CB . 26928 3 366 . 2 2 87 87 ALA N N 15 125.758 0.300 . 1 . . . . 87 ALA N . 26928 3 367 . 2 2 88 88 ALA H H 1 8.225 0.020 . 1 . . . . 88 ALA H . 26928 3 368 . 2 2 88 88 ALA C C 13 178.537 0.300 . 1 . . . . 88 ALA C . 26928 3 369 . 2 2 88 88 ALA CA C 13 49.350 0.300 . 1 . . . . 88 ALA CA . 26928 3 370 . 2 2 88 88 ALA CB C 13 21.866 0.300 . 1 . . . . 88 ALA CB . 26928 3 371 . 2 2 88 88 ALA N N 15 120.171 0.300 . 1 . . . . 88 ALA N . 26928 3 372 . 2 2 89 89 TRP H H 1 9.380 0.020 . 1 . . . . 89 TRP H . 26928 3 373 . 2 2 89 89 TRP C C 13 176.856 0.300 . 1 . . . . 89 TRP C . 26928 3 374 . 2 2 89 89 TRP CA C 13 56.539 0.300 . 1 . . . . 89 TRP CA . 26928 3 375 . 2 2 89 89 TRP CB C 13 27.811 0.300 . 1 . . . . 89 TRP CB . 26928 3 376 . 2 2 89 89 TRP N N 15 123.439 0.300 . 1 . . . . 89 TRP N . 26928 3 377 . 2 2 90 90 ASP H H 1 8.692 0.020 . 1 . . . . 90 ASP H . 26928 3 378 . 2 2 90 90 ASP C C 13 176.046 0.300 . 1 . . . . 90 ASP C . 26928 3 379 . 2 2 90 90 ASP CA C 13 53.956 0.300 . 1 . . . . 90 ASP CA . 26928 3 380 . 2 2 90 90 ASP CB C 13 39.251 0.300 . 1 . . . . 90 ASP CB . 26928 3 381 . 2 2 90 90 ASP N N 15 129.956 0.300 . 1 . . . . 90 ASP N . 26928 3 382 . 2 2 91 91 GLY C C 13 173.282 0.300 . 1 . . . . 91 GLY C . 26928 3 383 . 2 2 91 91 GLY CA C 13 43.874 0.300 . 1 . . . . 91 GLY CA . 26928 3 384 . 2 2 92 92 LEU H H 1 7.943 0.020 . 1 . . . . 92 LEU H . 26928 3 385 . 2 2 92 92 LEU C C 13 177.153 0.300 . 1 . . . . 92 LEU C . 26928 3 386 . 2 2 92 92 LEU CA C 13 55.508 0.300 . 1 . . . . 92 LEU CA . 26928 3 387 . 2 2 92 92 LEU CB C 13 46.396 0.300 . 1 . . . . 92 LEU CB . 26928 3 388 . 2 2 92 92 LEU N N 15 119.146 0.300 . 1 . . . . 92 LEU N . 26928 3 389 . 2 2 93 93 SER H H 1 9.942 0.020 . 1 . . . . 93 SER H . 26928 3 390 . 2 2 93 93 SER C C 13 174.738 0.300 . 1 . . . . 93 SER C . 26928 3 391 . 2 2 93 93 SER CA C 13 59.169 0.300 . 1 . . . . 93 SER CA . 26928 3 392 . 2 2 93 93 SER CB C 13 63.851 0.300 . 1 . . . . 93 SER CB . 26928 3 393 . 2 2 93 93 SER N N 15 117.763 0.300 . 1 . . . . 93 SER N . 26928 3 394 . 2 2 94 94 GLU H H 1 8.795 0.020 . 1 . . . . 94 GLU H . 26928 3 395 . 2 2 94 94 GLU C C 13 175.722 0.300 . 1 . . . . 94 GLU C . 26928 3 396 . 2 2 94 94 GLU CA C 13 57.611 0.300 . 1 . . . . 94 GLU CA . 26928 3 397 . 2 2 94 94 GLU CB C 13 30.313 0.300 . 1 . . . . 94 GLU CB . 26928 3 398 . 2 2 94 94 GLU N N 15 118.879 0.300 . 1 . . . . 94 GLU N . 26928 3 399 . 2 2 95 95 VAL H H 1 8.959 0.020 . 1 . . . . 95 VAL H . 26928 3 400 . 2 2 95 95 VAL C C 13 174.877 0.300 . 1 . . . . 95 VAL C . 26928 3 401 . 2 2 95 95 VAL CA C 13 58.175 0.300 . 1 . . . . 95 VAL CA . 26928 3 402 . 2 2 95 95 VAL CB C 13 33.845 0.300 . 1 . . . . 95 VAL CB . 26928 3 403 . 2 2 95 95 VAL N N 15 111.867 0.300 . 1 . . . . 95 VAL N . 26928 3 404 . 2 2 96 96 GLN H H 1 8.750 0.020 . 1 . . . . 96 GLN H . 26928 3 405 . 2 2 96 96 GLN C C 13 175.531 0.300 . 1 . . . . 96 GLN C . 26928 3 406 . 2 2 96 96 GLN CA C 13 53.227 0.300 . 1 . . . . 96 GLN CA . 26928 3 407 . 2 2 96 96 GLN CB C 13 29.672 0.300 . 1 . . . . 96 GLN CB . 26928 3 408 . 2 2 96 96 GLN N N 15 115.260 0.300 . 1 . . . . 96 GLN N . 26928 3 409 . 2 2 97 97 LEU H H 1 9.096 0.020 . 1 . . . . 97 LEU H . 26928 3 410 . 2 2 97 97 LEU C C 13 173.778 0.300 . 1 . . . . 97 LEU C . 26928 3 411 . 2 2 97 97 LEU CA C 13 53.215 0.300 . 1 . . . . 97 LEU CA . 26928 3 412 . 2 2 97 97 LEU CB C 13 43.082 0.300 . 1 . . . . 97 LEU CB . 26928 3 413 . 2 2 97 97 LEU N N 15 124.019 0.300 . 1 . . . . 97 LEU N . 26928 3 414 . 2 2 98 98 LEU H H 1 8.800 0.020 . 1 . . . . 98 LEU H . 26928 3 415 . 2 2 98 98 LEU C C 13 173.581 0.300 . 1 . . . . 98 LEU C . 26928 3 416 . 2 2 98 98 LEU CA C 13 53.099 0.300 . 1 . . . . 98 LEU CA . 26928 3 417 . 2 2 98 98 LEU CB C 13 39.494 0.300 . 1 . . . . 98 LEU CB . 26928 3 418 . 2 2 98 98 LEU N N 15 133.770 0.300 . 1 . . . . 98 LEU N . 26928 3 419 . 2 2 99 99 ALA H H 1 7.930 0.020 . 1 . . . . 99 ALA H . 26928 3 420 . 2 2 99 99 ALA C C 13 177.376 0.300 . 1 . . . . 99 ALA C . 26928 3 421 . 2 2 99 99 ALA CA C 13 51.390 0.300 . 1 . . . . 99 ALA CA . 26928 3 422 . 2 2 99 99 ALA CB C 13 17.493 0.300 . 1 . . . . 99 ALA CB . 26928 3 423 . 2 2 99 99 ALA N N 15 122.179 0.300 . 1 . . . . 99 ALA N . 26928 3 424 . 2 2 100 100 VAL H H 1 7.008 0.020 . 1 . . . . 100 VAL H . 26928 3 425 . 2 2 100 100 VAL CA C 13 58.355 0.300 . 1 . . . . 100 VAL CA . 26928 3 426 . 2 2 100 100 VAL CB C 13 29.773 0.300 . 1 . . . . 100 VAL CB . 26928 3 427 . 2 2 100 100 VAL N N 15 121.471 0.300 . 1 . . . . 100 VAL N . 26928 3 428 . 2 2 102 102 PRO C C 13 178.308 0.300 . 1 . . . . 102 PRO C . 26928 3 429 . 2 2 102 102 PRO CA C 13 62.426 0.300 . 1 . . . . 102 PRO CA . 26928 3 430 . 2 2 102 102 PRO CB C 13 30.708 0.300 . 1 . . . . 102 PRO CB . 26928 3 431 . 2 2 103 103 GLY H H 1 8.972 0.020 . 1 . . . . 103 GLY H . 26928 3 432 . 2 2 103 103 GLY C C 13 173.139 0.300 . 1 . . . . 103 GLY C . 26928 3 433 . 2 2 103 103 GLY CA C 13 45.606 0.300 . 1 . . . . 103 GLY CA . 26928 3 434 . 2 2 103 103 GLY N N 15 111.854 0.300 . 1 . . . . 103 GLY N . 26928 3 435 . 2 2 104 104 GLU H H 1 7.671 0.020 . 1 . . . . 104 GLU H . 26928 3 436 . 2 2 104 104 GLU C C 13 175.320 0.300 . 1 . . . . 104 GLU C . 26928 3 437 . 2 2 104 104 GLU CA C 13 53.466 0.300 . 1 . . . . 104 GLU CA . 26928 3 438 . 2 2 104 104 GLU CB C 13 32.936 0.300 . 1 . . . . 104 GLU CB . 26928 3 439 . 2 2 104 104 GLU N N 15 118.126 0.300 . 1 . . . . 104 GLU N . 26928 3 440 . 2 2 105 105 ARG H H 1 8.408 0.020 . 1 . . . . 105 ARG H . 26928 3 441 . 2 2 105 105 ARG C C 13 174.998 0.300 . 1 . . . . 105 ARG C . 26928 3 442 . 2 2 105 105 ARG CA C 13 55.470 0.300 . 1 . . . . 105 ARG CA . 26928 3 443 . 2 2 105 105 ARG CB C 13 29.670 0.300 . 1 . . . . 105 ARG CB . 26928 3 444 . 2 2 105 105 ARG N N 15 119.837 0.300 . 1 . . . . 105 ARG N . 26928 3 445 . 2 2 106 106 ALA H H 1 8.187 0.020 . 1 . . . . 106 ALA H . 26928 3 446 . 2 2 106 106 ALA C C 13 177.493 0.300 . 1 . . . . 106 ALA C . 26928 3 447 . 2 2 106 106 ALA CA C 13 51.506 0.300 . 1 . . . . 106 ALA CA . 26928 3 448 . 2 2 106 106 ALA CB C 13 18.322 0.300 . 1 . . . . 106 ALA CB . 26928 3 449 . 2 2 106 106 ALA N N 15 122.364 0.300 . 1 . . . . 106 ALA N . 26928 3 450 . 2 2 107 107 LYS H H 1 8.796 0.020 . 1 . . . . 107 LYS H . 26928 3 451 . 2 2 107 107 LYS C C 13 172.983 0.300 . 1 . . . . 107 LYS C . 26928 3 452 . 2 2 107 107 LYS CA C 13 54.919 0.300 . 1 . . . . 107 LYS CA . 26928 3 453 . 2 2 107 107 LYS CB C 13 35.100 0.300 . 1 . . . . 107 LYS CB . 26928 3 454 . 2 2 107 107 LYS N N 15 122.030 0.300 . 1 . . . . 107 LYS N . 26928 3 455 . 2 2 108 108 ASN H H 1 8.403 0.020 . 1 . . . . 108 ASN H . 26928 3 456 . 2 2 108 108 ASN C C 13 174.275 0.300 . 1 . . . . 108 ASN C . 26928 3 457 . 2 2 108 108 ASN CA C 13 52.737 0.300 . 1 . . . . 108 ASN CA . 26928 3 458 . 2 2 108 108 ASN CB C 13 38.244 0.300 . 1 . . . . 108 ASN CB . 26928 3 459 . 2 2 108 108 ASN N N 15 121.866 0.300 . 1 . . . . 108 ASN N . 26928 3 460 . 2 2 109 109 ILE H H 1 9.025 0.020 . 1 . . . . 109 ILE H . 26928 3 461 . 2 2 109 109 ILE C C 13 174.111 0.300 . 1 . . . . 109 ILE C . 26928 3 462 . 2 2 109 109 ILE CA C 13 58.992 0.300 . 1 . . . . 109 ILE CA . 26928 3 463 . 2 2 109 109 ILE CB C 13 39.471 0.300 . 1 . . . . 109 ILE CB . 26928 3 464 . 2 2 109 109 ILE N N 15 122.471 0.300 . 1 . . . . 109 ILE N . 26928 3 465 . 2 2 110 110 GLN H H 1 9.172 0.020 . 1 . . . . 110 GLN H . 26928 3 466 . 2 2 110 110 GLN CA C 13 54.477 0.300 . 1 . . . . 110 GLN CA . 26928 3 467 . 2 2 110 110 GLN CB C 13 29.508 0.300 . 1 . . . . 110 GLN CB . 26928 3 468 . 2 2 110 110 GLN N N 15 129.332 0.300 . 1 . . . . 110 GLN N . 26928 3 469 . 2 2 111 111 THR C C 13 170.429 0.300 . 1 . . . . 111 THR C . 26928 3 470 . 2 2 111 111 THR CA C 13 60.355 0.300 . 1 . . . . 111 THR CA . 26928 3 471 . 2 2 111 111 THR CB C 13 69.504 0.300 . 1 . . . . 111 THR CB . 26928 3 472 . 2 2 112 112 LEU H H 1 8.171 0.020 . 1 . . . . 112 LEU H . 26928 3 473 . 2 2 112 112 LEU C C 13 174.251 0.300 . 1 . . . . 112 LEU C . 26928 3 474 . 2 2 112 112 LEU CA C 13 50.927 0.300 . 1 . . . . 112 LEU CA . 26928 3 475 . 2 2 112 112 LEU CB C 13 42.190 0.300 . 1 . . . . 112 LEU CB . 26928 3 476 . 2 2 112 112 LEU N N 15 128.577 0.300 . 1 . . . . 112 LEU N . 26928 3 477 . 2 2 120 120 ASP H H 1 7.898 0.020 . 1 . . . . 120 ASP H . 26928 3 478 . 2 2 120 120 ASP C C 13 175.104 0.300 . 1 . . . . 120 ASP C . 26928 3 479 . 2 2 120 120 ASP CA C 13 53.829 0.300 . 1 . . . . 120 ASP CA . 26928 3 480 . 2 2 120 120 ASP CB C 13 41.651 0.300 . 1 . . . . 120 ASP CB . 26928 3 481 . 2 2 120 120 ASP N N 15 116.669 0.300 . 1 . . . . 120 ASP N . 26928 3 482 . 2 2 121 121 GLY H H 1 7.449 0.020 . 1 . . . . 121 GLY H . 26928 3 483 . 2 2 121 121 GLY C C 13 173.548 0.300 . 1 . . . . 121 GLY C . 26928 3 484 . 2 2 121 121 GLY CA C 13 43.795 0.300 . 1 . . . . 121 GLY CA . 26928 3 485 . 2 2 121 121 GLY N N 15 108.250 0.300 . 1 . . . . 121 GLY N . 26928 3 486 . 2 2 122 122 ASP H H 1 8.678 0.020 . 1 . . . . 122 ASP H . 26928 3 487 . 2 2 122 122 ASP C C 13 176.763 0.300 . 1 . . . . 122 ASP C . 26928 3 488 . 2 2 122 122 ASP CA C 13 53.828 0.300 . 1 . . . . 122 ASP CA . 26928 3 489 . 2 2 122 122 ASP CB C 13 40.555 0.300 . 1 . . . . 122 ASP CB . 26928 3 490 . 2 2 122 122 ASP N N 15 122.816 0.300 . 1 . . . . 122 ASP N . 26928 3 491 . 2 2 134 134 THR H H 1 8.274 0.020 . 1 . . . . 134 THR H . 26928 3 492 . 2 2 134 134 THR CA C 13 63.196 0.300 . 1 . . . . 134 THR CA . 26928 3 493 . 2 2 134 134 THR CB C 13 69.130 0.300 . 1 . . . . 134 THR CB . 26928 3 494 . 2 2 134 134 THR N N 15 115.713 0.300 . 1 . . . . 134 THR N . 26928 3 495 . 2 2 135 135 SER H H 1 8.356 0.020 . 1 . . . . 135 SER H . 26928 3 496 . 2 2 135 135 SER C C 13 172.492 0.300 . 1 . . . . 135 SER C . 26928 3 497 . 2 2 135 135 SER CA C 13 60.570 0.300 . 1 . . . . 135 SER CA . 26928 3 498 . 2 2 135 135 SER N N 15 119.559 0.300 . 1 . . . . 135 SER N . 26928 3 499 . 2 2 136 136 GLY H H 1 9.344 0.020 . 1 . . . . 136 GLY H . 26928 3 500 . 2 2 136 136 GLY C C 13 172.554 0.300 . 1 . . . . 136 GLY C . 26928 3 501 . 2 2 136 136 GLY CA C 13 43.888 0.300 . 1 . . . . 136 GLY CA . 26928 3 502 . 2 2 136 136 GLY N N 15 111.348 0.300 . 1 . . . . 136 GLY N . 26928 3 503 . 2 2 137 137 SER H H 1 7.798 0.020 . 1 . . . . 137 SER H . 26928 3 504 . 2 2 137 137 SER C C 13 171.587 0.300 . 1 . . . . 137 SER C . 26928 3 505 . 2 2 137 137 SER CA C 13 58.586 0.300 . 1 . . . . 137 SER CA . 26928 3 506 . 2 2 137 137 SER CB C 13 62.878 0.300 . 1 . . . . 137 SER CB . 26928 3 507 . 2 2 137 137 SER N N 15 115.660 0.300 . 1 . . . . 137 SER N . 26928 3 508 . 2 2 138 138 PRO C C 13 173.662 0.300 . 1 . . . . 138 PRO C . 26928 3 509 . 2 2 138 138 PRO CA C 13 62.325 0.300 . 1 . . . . 138 PRO CA . 26928 3 510 . 2 2 138 138 PRO CB C 13 32.425 0.300 . 1 . . . . 138 PRO CB . 26928 3 511 . 2 2 139 139 ILE H H 1 8.563 0.020 . 1 . . . . 139 ILE H . 26928 3 512 . 2 2 139 139 ILE C C 13 174.707 0.300 . 1 . . . . 139 ILE C . 26928 3 513 . 2 2 139 139 ILE CA C 13 59.202 0.300 . 1 . . . . 139 ILE CA . 26928 3 514 . 2 2 139 139 ILE CB C 13 37.666 0.300 . 1 . . . . 139 ILE CB . 26928 3 515 . 2 2 139 139 ILE N N 15 120.317 0.300 . 1 . . . . 139 ILE N . 26928 3 516 . 2 2 140 140 LEU H H 1 9.899 0.020 . 1 . . . . 140 LEU H . 26928 3 517 . 2 2 140 140 LEU C C 13 177.675 0.300 . 1 . . . . 140 LEU C . 26928 3 518 . 2 2 140 140 LEU CA C 13 53.290 0.300 . 1 . . . . 140 LEU CA . 26928 3 519 . 2 2 140 140 LEU CB C 13 45.434 0.300 . 1 . . . . 140 LEU CB . 26928 3 520 . 2 2 140 140 LEU N N 15 126.838 0.300 . 1 . . . . 140 LEU N . 26928 3 521 . 2 2 141 141 ASP H H 1 8.492 0.020 . 1 . . . . 141 ASP H . 26928 3 522 . 2 2 141 141 ASP C C 13 177.845 0.300 . 1 . . . . 141 ASP C . 26928 3 523 . 2 2 141 141 ASP CA C 13 51.247 0.300 . 1 . . . . 141 ASP CA . 26928 3 524 . 2 2 141 141 ASP CB C 13 41.958 0.300 . 1 . . . . 141 ASP CB . 26928 3 525 . 2 2 141 141 ASP N N 15 117.335 0.300 . 1 . . . . 141 ASP N . 26928 3 526 . 2 2 142 142 LYS H H 1 7.830 0.020 . 1 . . . . 142 LYS H . 26928 3 527 . 2 2 142 142 LYS C C 13 177.516 0.300 . 1 . . . . 142 LYS C . 26928 3 528 . 2 2 142 142 LYS CA C 13 56.999 0.300 . 1 . . . . 142 LYS CA . 26928 3 529 . 2 2 142 142 LYS CB C 13 30.474 0.300 . 1 . . . . 142 LYS CB . 26928 3 530 . 2 2 142 142 LYS N N 15 115.033 0.300 . 1 . . . . 142 LYS N . 26928 3 531 . 2 2 143 143 CYS H H 1 7.899 0.020 . 1 . . . . 143 CYS H . 26928 3 532 . 2 2 143 143 CYS C C 13 175.213 0.300 . 1 . . . . 143 CYS C . 26928 3 533 . 2 2 143 143 CYS CA C 13 55.228 0.300 . 1 . . . . 143 CYS CA . 26928 3 534 . 2 2 143 143 CYS CB C 13 40.256 0.300 . 1 . . . . 143 CYS CB . 26928 3 535 . 2 2 143 143 CYS N N 15 117.692 0.300 . 1 . . . . 143 CYS N . 26928 3 536 . 2 2 144 144 GLY H H 1 9.001 0.020 . 1 . . . . 144 GLY H . 26928 3 537 . 2 2 144 144 GLY C C 13 173.139 0.300 . 1 . . . . 144 GLY C . 26928 3 538 . 2 2 144 144 GLY CA C 13 45.081 0.300 . 1 . . . . 144 GLY CA . 26928 3 539 . 2 2 144 144 GLY N N 15 110.442 0.300 . 1 . . . . 144 GLY N . 26928 3 540 . 2 2 145 145 ARG H H 1 8.225 0.020 . 1 . . . . 145 ARG H . 26928 3 541 . 2 2 145 145 ARG C C 13 175.993 0.300 . 1 . . . . 145 ARG C . 26928 3 542 . 2 2 145 145 ARG CA C 13 54.712 0.300 . 1 . . . . 145 ARG CA . 26928 3 543 . 2 2 145 145 ARG CB C 13 29.471 0.300 . 1 . . . . 145 ARG CB . 26928 3 544 . 2 2 145 145 ARG N N 15 119.026 0.300 . 1 . . . . 145 ARG N . 26928 3 545 . 2 2 146 146 VAL H H 1 8.545 0.020 . 1 . . . . 146 VAL H . 26928 3 546 . 2 2 146 146 VAL C C 13 176.558 0.300 . 1 . . . . 146 VAL C . 26928 3 547 . 2 2 146 146 VAL CA C 13 62.469 0.300 . 1 . . . . 146 VAL CA . 26928 3 548 . 2 2 146 146 VAL CB C 13 30.149 0.300 . 1 . . . . 146 VAL CB . 26928 3 549 . 2 2 146 146 VAL N N 15 119.886 0.300 . 1 . . . . 146 VAL N . 26928 3 550 . 2 2 147 147 ILE H H 1 9.039 0.020 . 1 . . . . 147 ILE H . 26928 3 551 . 2 2 147 147 ILE C C 13 174.044 0.300 . 1 . . . . 147 ILE C . 26928 3 552 . 2 2 147 147 ILE CA C 13 60.489 0.300 . 1 . . . . 147 ILE CA . 26928 3 553 . 2 2 147 147 ILE CB C 13 37.448 0.300 . 1 . . . . 147 ILE CB . 26928 3 554 . 2 2 147 147 ILE N N 15 122.647 0.300 . 1 . . . . 147 ILE N . 26928 3 555 . 2 2 148 148 GLY H H 1 7.414 0.020 . 1 . . . . 148 GLY H . 26928 3 556 . 2 2 148 148 GLY C C 13 169.813 0.300 . 1 . . . . 148 GLY C . 26928 3 557 . 2 2 148 148 GLY CA C 13 43.627 0.300 . 1 . . . . 148 GLY CA . 26928 3 558 . 2 2 148 148 GLY N N 15 104.863 0.300 . 1 . . . . 148 GLY N . 26928 3 559 . 2 2 149 149 LEU H H 1 9.472 0.020 . 1 . . . . 149 LEU H . 26928 3 560 . 2 2 149 149 LEU C C 13 177.113 0.300 . 1 . . . . 149 LEU C . 26928 3 561 . 2 2 149 149 LEU CA C 13 52.772 0.300 . 1 . . . . 149 LEU CA . 26928 3 562 . 2 2 149 149 LEU CB C 13 43.419 0.300 . 1 . . . . 149 LEU CB . 26928 3 563 . 2 2 149 149 LEU N N 15 116.734 0.300 . 1 . . . . 149 LEU N . 26928 3 564 . 2 2 150 150 TYR H H 1 9.337 0.020 . 1 . . . . 150 TYR H . 26928 3 565 . 2 2 150 150 TYR C C 13 176.736 0.300 . 1 . . . . 150 TYR C . 26928 3 566 . 2 2 150 150 TYR CA C 13 57.821 0.300 . 1 . . . . 150 TYR CA . 26928 3 567 . 2 2 150 150 TYR N N 15 123.248 0.300 . 1 . . . . 150 TYR N . 26928 3 568 . 2 2 151 151 GLY H H 1 8.494 0.020 . 1 . . . . 151 GLY H . 26928 3 569 . 2 2 151 151 GLY C C 13 173.281 0.300 . 1 . . . . 151 GLY C . 26928 3 570 . 2 2 151 151 GLY CA C 13 44.671 0.300 . 1 . . . . 151 GLY CA . 26928 3 571 . 2 2 151 151 GLY N N 15 112.799 0.300 . 1 . . . . 151 GLY N . 26928 3 572 . 2 2 152 152 ASN H H 1 8.609 0.020 . 1 . . . . 152 ASN H . 26928 3 573 . 2 2 152 152 ASN C C 13 175.551 0.300 . 1 . . . . 152 ASN C . 26928 3 574 . 2 2 152 152 ASN CA C 13 52.526 0.300 . 1 . . . . 152 ASN CA . 26928 3 575 . 2 2 152 152 ASN CB C 13 38.172 0.300 . 1 . . . . 152 ASN CB . 26928 3 576 . 2 2 152 152 ASN N N 15 119.112 0.300 . 1 . . . . 152 ASN N . 26928 3 577 . 2 2 159 159 GLY H H 1 8.425 0.020 . 1 . . . . 159 GLY H . 26928 3 578 . 2 2 159 159 GLY C C 13 174.082 0.300 . 1 . . . . 159 GLY C . 26928 3 579 . 2 2 159 159 GLY CA C 13 44.780 0.300 . 1 . . . . 159 GLY CA . 26928 3 580 . 2 2 159 159 GLY N N 15 108.178 0.300 . 1 . . . . 159 GLY N . 26928 3 581 . 2 2 160 160 SER H H 1 7.771 0.020 . 1 . . . . 160 SER H . 26928 3 582 . 2 2 160 160 SER C C 13 171.270 0.300 . 1 . . . . 160 SER C . 26928 3 583 . 2 2 160 160 SER CA C 13 58.193 0.300 . 1 . . . . 160 SER CA . 26928 3 584 . 2 2 160 160 SER CB C 13 63.741 0.300 . 1 . . . . 160 SER CB . 26928 3 585 . 2 2 160 160 SER N N 15 116.870 0.300 . 1 . . . . 160 SER N . 26928 3 586 . 2 2 167 167 GLN H H 1 8.834 0.020 . 1 . . . . 167 GLN H . 26928 3 587 . 2 2 167 167 GLN C C 13 175.804 0.300 . 1 . . . . 167 GLN C . 26928 3 588 . 2 2 167 167 GLN CA C 13 52.109 0.300 . 1 . . . . 167 GLN CA . 26928 3 589 . 2 2 167 167 GLN CB C 13 32.162 0.300 . 1 . . . . 167 GLN CB . 26928 3 590 . 2 2 167 167 GLN N N 15 129.019 0.300 . 1 . . . . 167 GLN N . 26928 3 591 . 2 2 168 168 GLY H H 1 8.385 0.020 . 1 . . . . 168 GLY H . 26928 3 592 . 2 2 168 168 GLY C C 13 172.382 0.300 . 1 . . . . 168 GLY C . 26928 3 593 . 2 2 168 168 GLY CA C 13 43.793 0.300 . 1 . . . . 168 GLY CA . 26928 3 594 . 2 2 168 168 GLY N N 15 115.539 0.300 . 1 . . . . 168 GLY N . 26928 3 595 . 2 2 169 169 LYS H H 1 8.101 0.020 . 1 . . . . 169 LYS H . 26928 3 596 . 2 2 169 169 LYS C C 13 175.607 0.300 . 1 . . . . 169 LYS C . 26928 3 597 . 2 2 169 169 LYS CA C 13 54.667 0.300 . 1 . . . . 169 LYS CA . 26928 3 598 . 2 2 169 169 LYS CB C 13 33.087 0.300 . 1 . . . . 169 LYS CB . 26928 3 599 . 2 2 169 169 LYS N N 15 121.736 0.300 . 1 . . . . 169 LYS N . 26928 3 600 . 2 2 170 170 ARG H H 1 8.655 0.020 . 1 . . . . 170 ARG H . 26928 3 601 . 2 2 170 170 ARG C C 13 176.201 0.300 . 1 . . . . 170 ARG C . 26928 3 602 . 2 2 170 170 ARG CA C 13 55.224 0.300 . 1 . . . . 170 ARG CA . 26928 3 603 . 2 2 170 170 ARG CB C 13 29.779 0.300 . 1 . . . . 170 ARG CB . 26928 3 604 . 2 2 170 170 ARG N N 15 125.116 0.300 . 1 . . . . 170 ARG N . 26928 3 605 . 2 2 171 171 GLU H H 1 8.589 0.020 . 1 . . . . 171 GLU H . 26928 3 606 . 2 2 171 171 GLU CA C 13 55.557 0.300 . 1 . . . . 171 GLU CA . 26928 3 607 . 2 2 171 171 GLU CB C 13 29.747 0.300 . 1 . . . . 171 GLU CB . 26928 3 608 . 2 2 171 171 GLU N N 15 125.160 0.300 . 1 . . . . 171 GLU N . 26928 3 609 . 2 2 172 172 GLU C C 13 176.321 0.300 . 1 . . . . 172 GLU C . 26928 3 610 . 2 2 172 172 GLU CA C 13 55.693 0.300 . 1 . . . . 172 GLU CA . 26928 3 611 . 2 2 172 172 GLU CB C 13 29.570 0.300 . 1 . . . . 172 GLU CB . 26928 3 612 . 2 2 173 173 GLU H H 1 8.586 0.020 . 1 . . . . 173 GLU H . 26928 3 613 . 2 2 173 173 GLU C C 13 176.411 0.300 . 1 . . . . 173 GLU C . 26928 3 614 . 2 2 173 173 GLU CA C 13 55.816 0.300 . 1 . . . . 173 GLU CA . 26928 3 615 . 2 2 173 173 GLU CB C 13 29.487 0.300 . 1 . . . . 173 GLU CB . 26928 3 616 . 2 2 173 173 GLU N N 15 122.470 0.300 . 1 . . . . 173 GLU N . 26928 3 617 . 2 2 174 174 THR H H 1 8.400 0.020 . 1 . . . . 174 THR H . 26928 3 618 . 2 2 174 174 THR C C 13 172.693 0.300 . 1 . . . . 174 THR C . 26928 3 619 . 2 2 174 174 THR CA C 13 59.580 0.300 . 1 . . . . 174 THR CA . 26928 3 620 . 2 2 174 174 THR CB C 13 69.233 0.300 . 1 . . . . 174 THR CB . 26928 3 621 . 2 2 174 174 THR N N 15 119.090 0.300 . 1 . . . . 174 THR N . 26928 3 622 . 2 2 175 175 PRO C C 13 176.908 0.300 . 1 . . . . 175 PRO C . 26928 3 623 . 2 2 175 175 PRO CA C 13 62.604 0.300 . 1 . . . . 175 PRO CA . 26928 3 624 . 2 2 175 175 PRO CB C 13 31.148 0.300 . 1 . . . . 175 PRO CB . 26928 3 625 . 2 2 176 176 VAL H H 1 8.345 0.020 . 1 . . . . 176 VAL H . 26928 3 626 . 2 2 176 176 VAL C C 13 175.482 0.300 . 1 . . . . 176 VAL C . 26928 3 627 . 2 2 176 176 VAL CA C 13 61.977 0.300 . 1 . . . . 176 VAL CA . 26928 3 628 . 2 2 176 176 VAL CB C 13 31.901 0.300 . 1 . . . . 176 VAL CB . 26928 3 629 . 2 2 176 176 VAL N N 15 120.953 0.300 . 1 . . . . 176 VAL N . 26928 3 630 . 2 2 177 177 GLU H H 1 7.982 0.020 . 1 . . . . 177 GLU H . 26928 3 631 . 2 2 177 177 GLU C C 13 180.956 0.300 . 1 . . . . 177 GLU C . 26928 3 632 . 2 2 177 177 GLU CA C 13 57.461 0.300 . 1 . . . . 177 GLU CA . 26928 3 633 . 2 2 177 177 GLU CB C 13 30.316 0.300 . 1 . . . . 177 GLU CB . 26928 3 634 . 2 2 177 177 GLU N N 15 129.091 0.300 . 1 . . . . 177 GLU N . 26928 3 stop_ save_