################################### # 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 27557 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method PANAV _Assigned_chem_shift_list.Details ; Probabilistic Approach to NMR Assignment and Validation (Online Application tool) CO: -0.06ppm CA: -0.38ppm CB: 0.71ppm N: 0.77ppm ; _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' . . . 27557 1 2 '3D HNCO' . . . 27557 1 3 '3D HNCA' . . . 27557 1 4 '3D CBCA(CO)NH' . . . 27557 1 5 '3D HN(CA)CO' . . . 27557 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 $CARA . . 27557 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 11 11 ILE H H 1 8.448 0.02 . 1 . . . . . 7 ILE H . 27557 1 2 . 1 1 11 11 ILE C C 13 177.719 0.3 . 1 . . . . . 7 ILE C . 27557 1 3 . 1 1 11 11 ILE CA C 13 66.488 0.3 . 1 . . . . . 7 ILE CA . 27557 1 4 . 1 1 11 11 ILE CB C 13 37.382 0.3 . 1 . . . . . 7 ILE CB . 27557 1 5 . 1 1 11 11 ILE N N 15 117.733 0.3 . 1 . . . . . 7 ILE N . 27557 1 6 . 1 1 12 12 ASP H H 1 7.683 0.02 . 1 . . . . . 8 ASP H . 27557 1 7 . 1 1 12 12 ASP C C 13 177.324 0.3 . 1 . . . . . 8 ASP C . 27557 1 8 . 1 1 12 12 ASP CA C 13 56.221 0.3 . 1 . . . . . 8 ASP CA . 27557 1 9 . 1 1 12 12 ASP CB C 13 36.85 0.3 . 1 . . . . . 8 ASP CB . 27557 1 10 . 1 1 12 12 ASP N N 15 117.197 0.3 . 1 . . . . . 8 ASP N . 27557 1 11 . 1 1 13 13 LEU H H 1 7.757 0.02 . 1 . . . . . 9 LEU H . 27557 1 12 . 1 1 13 13 LEU C C 13 179.461 0.3 . 1 . . . . . 9 LEU C . 27557 1 13 . 1 1 13 13 LEU CA C 13 58.151 0.3 . 1 . . . . . 9 LEU CA . 27557 1 14 . 1 1 13 13 LEU CB C 13 42.47 0.3 . 1 . . . . . 9 LEU CB . 27557 1 15 . 1 1 13 13 LEU N N 15 122.525 0.3 . 1 . . . . . 9 LEU N . 27557 1 16 . 1 1 14 14 VAL H H 1 7.943 0.02 . 1 . . . . . 10 VAL H . 27557 1 17 . 1 1 14 14 VAL C C 13 177.66 0.3 . 1 . . . . . 10 VAL C . 27557 1 18 . 1 1 14 14 VAL CA C 13 67.011 0.3 . 1 . . . . . 10 VAL CA . 27557 1 19 . 1 1 14 14 VAL CB C 13 28.947 0.3 . 1 . . . . . 10 VAL CB . 27557 1 20 . 1 1 14 14 VAL N N 15 121.718 0.3 . 1 . . . . . 10 VAL N . 27557 1 21 . 1 1 15 15 LYS H H 1 8.55 0.02 . 1 . . . . . 11 LYS H . 27557 1 22 . 1 1 15 15 LYS C C 13 178.234 0.3 . 1 . . . . . 11 LYS C . 27557 1 23 . 1 1 15 15 LYS CA C 13 60.65 0.3 . 1 . . . . . 11 LYS CA . 27557 1 24 . 1 1 15 15 LYS CB C 13 32.429 0.3 . 1 . . . . . 11 LYS CB . 27557 1 25 . 1 1 15 15 LYS N N 15 120.229 0.3 . 1 . . . . . 11 LYS N . 27557 1 26 . 1 1 16 16 GLU H H 1 7.859 0.02 . 1 . . . . . 12 GLU H . 27557 1 27 . 1 1 16 16 GLU C C 13 179.362 0.3 . 1 . . . . . 12 GLU C . 27557 1 28 . 1 1 16 16 GLU CA C 13 58.435 0.3 . 1 . . . . . 12 GLU CA . 27557 1 29 . 1 1 16 16 GLU CB C 13 28.187 0.3 . 1 . . . . . 12 GLU CB . 27557 1 30 . 1 1 16 16 GLU N N 15 116.481 0.3 . 1 . . . . . 12 GLU N . 27557 1 31 . 1 1 17 17 ALA H H 1 8.552 0.02 . 1 . . . . . 13 ALA H . 27557 1 32 . 1 1 17 17 ALA C C 13 179.658 0.3 . 1 . . . . . 13 ALA C . 27557 1 33 . 1 1 17 17 ALA CA C 13 55.056 0.3 . 1 . . . . . 13 ALA CA . 27557 1 34 . 1 1 17 17 ALA CB C 13 19.289 0.3 . 1 . . . . . 13 ALA CB . 27557 1 35 . 1 1 17 17 ALA N N 15 123.198 0.3 . 1 . . . . . 13 ALA N . 27557 1 36 . 1 1 18 18 GLY H H 1 8.109 0.02 . 1 . . . . . 14 GLY H . 27557 1 37 . 1 1 18 18 GLY C C 13 171.862 0.3 . 1 . . . . . 14 GLY C . 27557 1 38 . 1 1 18 18 GLY CA C 13 44.692 0.3 . 1 . . . . . 14 GLY CA . 27557 1 39 . 1 1 18 18 GLY N N 15 102.502 0.3 . 1 . . . . . 14 GLY N . 27557 1 40 . 1 1 19 19 LYS H H 1 7.316 0.02 . 1 . . . . . 15 LYS H . 27557 1 41 . 1 1 19 19 LYS C C 13 176.572 0.3 . 1 . . . . . 15 LYS C . 27557 1 42 . 1 1 19 19 LYS CA C 13 57.101 0.3 . 1 . . . . . 15 LYS CA . 27557 1 43 . 1 1 19 19 LYS CB C 13 28.853 0.3 . 1 . . . . . 15 LYS CB . 27557 1 44 . 1 1 19 19 LYS N N 15 116.421 0.3 . 1 . . . . . 15 LYS N . 27557 1 45 . 1 1 20 20 TYR H H 1 8.065 0.02 . 1 . . . . . 16 TYR H . 27557 1 46 . 1 1 20 20 TYR C C 13 176.672 0.3 . 1 . . . . . 16 TYR C . 27557 1 47 . 1 1 20 20 TYR CA C 13 57.953 0.3 . 1 . . . . . 16 TYR CA . 27557 1 48 . 1 1 20 20 TYR CB C 13 39.414 0.3 . 1 . . . . . 16 TYR CB . 27557 1 49 . 1 1 20 20 TYR N N 15 116.61 0.3 . 1 . . . . . 16 TYR N . 27557 1 50 . 1 1 22 22 SER H H 1 7.416 0.02 . 1 . . . . . 18 SER H . 27557 1 51 . 1 1 22 22 SER C C 13 174.336 0.3 . 1 . . . . . 18 SER C . 27557 1 52 . 1 1 22 22 SER CA C 13 55.993 0.3 . 1 . . . . . 18 SER CA . 27557 1 53 . 1 1 22 22 SER CB C 13 67.112 0.3 . 1 . . . . . 18 SER CB . 27557 1 54 . 1 1 22 22 SER N N 15 109.995 0.3 . 1 . . . . . 18 SER N . 27557 1 55 . 1 1 23 23 LYS H H 1 8.921 0.02 . 1 . . . . . 19 LYS H . 27557 1 56 . 1 1 23 23 LYS C C 13 178.293 0.3 . 1 . . . . . 19 LYS C . 27557 1 57 . 1 1 23 23 LYS CA C 13 60.395 0.3 . 1 . . . . . 19 LYS CA . 27557 1 58 . 1 1 23 23 LYS CB C 13 32.307 0.3 . 1 . . . . . 19 LYS CB . 27557 1 59 . 1 1 23 23 LYS N N 15 123.214 0.3 . 1 . . . . . 19 LYS N . 27557 1 60 . 1 1 24 24 ARG H H 1 8.2 0.02 . 1 . . . . . 20 ARG H . 27557 1 61 . 1 1 24 24 ARG C C 13 178.728 0.3 . 1 . . . . . 20 ARG C . 27557 1 62 . 1 1 24 24 ARG CA C 13 59.514 0.3 . 1 . . . . . 20 ARG CA . 27557 1 63 . 1 1 24 24 ARG CB C 13 29.252 0.3 . 1 . . . . . 20 ARG CB . 27557 1 64 . 1 1 24 24 ARG N N 15 119.64 0.3 . 1 . . . . . 20 ARG N . 27557 1 65 . 1 1 25 25 GLU H H 1 7.438 0.02 . 1 . . . . . 21 GLU H . 27557 1 66 . 1 1 25 25 GLU C C 13 178.827 0.3 . 1 . . . . . 21 GLU C . 27557 1 67 . 1 1 25 25 GLU CA C 13 58.521 0.3 . 1 . . . . . 21 GLU CA . 27557 1 68 . 1 1 25 25 GLU CB C 13 28.111 0.3 . 1 . . . . . 21 GLU CB . 27557 1 69 . 1 1 25 25 GLU N N 15 117.351 0.3 . 1 . . . . . 21 GLU N . 27557 1 70 . 1 1 26 26 ALA H H 1 6.809 0.02 . 1 . . . . . 22 ALA H . 27557 1 71 . 1 1 26 26 ALA C C 13 178.234 0.3 . 1 . . . . . 22 ALA C . 27557 1 72 . 1 1 26 26 ALA CA C 13 55.028 0.3 . 1 . . . . . 22 ALA CA . 27557 1 73 . 1 1 26 26 ALA CB C 13 18.991 0.3 . 1 . . . . . 22 ALA CB . 27557 1 74 . 1 1 26 26 ALA N N 15 122.167 0.3 . 1 . . . . . 22 ALA N . 27557 1 75 . 1 1 27 27 GLU H H 1 8.397 0.02 . 1 . . . . . 23 GLU H . 27557 1 76 . 1 1 27 27 GLU C C 13 179.025 0.3 . 1 . . . . . 23 GLU C . 27557 1 77 . 1 1 27 27 GLU CA C 13 59.23 0.3 . 1 . . . . . 23 GLU CA . 27557 1 78 . 1 1 27 27 GLU CB C 13 31.454 0.3 . 1 . . . . . 23 GLU CB . 27557 1 79 . 1 1 27 27 GLU N N 15 116.763 0.3 . 1 . . . . . 23 GLU N . 27557 1 80 . 1 1 28 28 GLU H H 1 8.096 0.02 . 1 . . . . . 24 GLU H . 27557 1 81 . 1 1 28 28 GLU C C 13 177.126 0.3 . 1 . . . . . 24 GLU C . 27557 1 82 . 1 1 28 28 GLU CA C 13 58.492 0.3 . 1 . . . . . 24 GLU CA . 27557 1 83 . 1 1 28 28 GLU CB C 13 27.579 0.3 . 1 . . . . . 24 GLU CB . 27557 1 84 . 1 1 28 28 GLU N N 15 119.671 0.3 . 1 . . . . . 24 GLU N . 27557 1 85 . 1 1 29 29 ALA H H 1 7.187 0.02 . 1 . . . . . 25 ALA H . 27557 1 86 . 1 1 29 29 ALA C C 13 179.48 0.3 . 1 . . . . . 25 ALA C . 27557 1 87 . 1 1 29 29 ALA CA C 13 55.681 0.3 . 1 . . . . . 25 ALA CA . 27557 1 88 . 1 1 29 29 ALA CB C 13 17.761 0.3 . 1 . . . . . 25 ALA CB . 27557 1 89 . 1 1 29 29 ALA N N 15 122.202 0.3 . 1 . . . . . 25 ALA N . 27557 1 90 . 1 1 30 30 ILE H H 1 7.505 0.02 . 1 . . . . . 26 ILE H . 27557 1 91 . 1 1 30 30 ILE C C 13 179.065 0.3 . 1 . . . . . 26 ILE C . 27557 1 92 . 1 1 30 30 ILE CA C 13 66.273 0.3 . 1 . . . . . 26 ILE CA . 27557 1 93 . 1 1 30 30 ILE CB C 13 39.206 0.3 . 1 . . . . . 26 ILE CB . 27557 1 94 . 1 1 30 30 ILE N N 15 116.221 0.3 . 1 . . . . . 26 ILE N . 27557 1 95 . 1 1 31 31 SER H H 1 8.17 0.02 . 1 . . . . . 27 SER H . 27557 1 96 . 1 1 31 31 SER C C 13 174.83 0.3 . 1 . . . . . 27 SER C . 27557 1 97 . 1 1 31 31 SER CA C 13 62.155 0.3 . 1 . . . . . 27 SER CA . 27557 1 98 . 1 1 31 31 SER CB C 13 66.033 0.3 . 1 . . . . . 27 SER CB . 27557 1 99 . 1 1 31 31 SER N N 15 116.473 0.3 . 1 . . . . . 27 SER N . 27557 1 100 . 1 1 32 32 ALA H H 1 8.655 0.02 . 1 . . . . . 28 ALA H . 27557 1 101 . 1 1 32 32 ALA C C 13 178.57 0.3 . 1 . . . . . 28 ALA C . 27557 1 102 . 1 1 32 32 ALA CA C 13 55.142 0.3 . 1 . . . . . 28 ALA CA . 27557 1 103 . 1 1 32 32 ALA CB C 13 18.89 0.3 . 1 . . . . . 28 ALA CB . 27557 1 104 . 1 1 32 32 ALA N N 15 122.083 0.3 . 1 . . . . . 28 ALA N . 27557 1 105 . 1 1 33 33 PHE H H 1 8.082 0.02 . 1 . . . . . 29 PHE H . 27557 1 106 . 1 1 33 33 PHE C C 13 176.69 0.3 . 1 . . . . . 29 PHE C . 27557 1 107 . 1 1 33 33 PHE CA C 13 63.064 0.3 . 1 . . . . . 29 PHE CA . 27557 1 108 . 1 1 33 33 PHE CB C 13 36.318 0.3 . 1 . . . . . 29 PHE CB . 27557 1 109 . 1 1 33 33 PHE N N 15 115.297 0.3 . 1 . . . . . 29 PHE N . 27557 1 110 . 1 1 34 34 THR H H 1 7.677 0.02 . 1 . . . . . 30 THR H . 27557 1 111 . 1 1 34 34 THR C C 13 177.126 0.3 . 1 . . . . . 30 THR C . 27557 1 112 . 1 1 34 34 THR CA C 13 64.711 0.3 . 1 . . . . . 30 THR CA . 27557 1 113 . 1 1 34 34 THR N N 15 106.968 0.3 . 1 . . . . . 30 THR N . 27557 1 114 . 1 1 35 35 LEU H H 1 8.158 0.02 . 1 . . . . . 31 LEU H . 27557 1 115 . 1 1 35 35 LEU C C 13 180.331 0.3 . 1 . . . . . 31 LEU C . 27557 1 116 . 1 1 35 35 LEU CA C 13 58.066 0.3 . 1 . . . . . 31 LEU CA . 27557 1 117 . 1 1 35 35 LEU CB C 13 41.03 0.3 . 1 . . . . . 31 LEU CB . 27557 1 118 . 1 1 35 35 LEU N N 15 122.817 0.3 . 1 . . . . . 31 LEU N . 27557 1 119 . 1 1 36 36 ALA H H 1 7.822 0.02 . 1 . . . . . 32 ALA H . 27557 1 120 . 1 1 36 36 ALA C C 13 179.283 0.3 . 1 . . . . . 32 ALA C . 27557 1 121 . 1 1 36 36 ALA CA C 13 56.164 0.3 . 1 . . . . . 32 ALA CA . 27557 1 122 . 1 1 36 36 ALA CB C 13 20.418 0.3 . 1 . . . . . 32 ALA CB . 27557 1 123 . 1 1 36 36 ALA N N 15 123.345 0.3 . 1 . . . . . 32 ALA N . 27557 1 124 . 1 1 37 37 VAL H H 1 7.83 0.02 . 1 . . . . . 33 VAL H . 27557 1 125 . 1 1 37 37 VAL C C 13 177.62 0.3 . 1 . . . . . 33 VAL C . 27557 1 126 . 1 1 37 37 VAL CA C 13 68.118 0.3 . 1 . . . . . 33 VAL CA . 27557 1 127 . 1 1 37 37 VAL CB C 13 28.853 0.3 . 1 . . . . . 33 VAL CB . 27557 1 128 . 1 1 37 37 VAL N N 15 117.204 0.3 . 1 . . . . . 33 VAL N . 27557 1 129 . 1 1 38 38 GLU H H 1 8.022 0.02 . 1 . . . . . 34 GLU H . 27557 1 130 . 1 1 38 38 GLU C C 13 177.957 0.3 . 1 . . . . . 34 GLU C . 27557 1 131 . 1 1 38 38 GLU CA C 13 59.912 0.3 . 1 . . . . . 34 GLU CA . 27557 1 132 . 1 1 38 38 GLU CB C 13 28.035 0.3 . 1 . . . . . 34 GLU CB . 27557 1 133 . 1 1 38 38 GLU N N 15 116.166 0.3 . 1 . . . . . 34 GLU N . 27557 1 134 . 1 1 39 39 THR H H 1 8.427 0.02 . 1 . . . . . 35 THR H . 27557 1 135 . 1 1 39 39 THR C C 13 176.552 0.3 . 1 . . . . . 35 THR C . 27557 1 136 . 1 1 39 39 THR CA C 13 67.181 0.3 . 1 . . . . . 35 THR CA . 27557 1 137 . 1 1 39 39 THR CB C 13 68.573 0.3 . 1 . . . . . 35 THR CB . 27557 1 138 . 1 1 39 39 THR N N 15 116.505 0.3 . 1 . . . . . 35 THR N . 27557 1 139 . 1 1 40 40 ALA H H 1 8.394 0.02 . 1 . . . . . 36 ALA H . 27557 1 140 . 1 1 40 40 ALA C C 13 179.54 0.3 . 1 . . . . . 36 ALA C . 27557 1 141 . 1 1 40 40 ALA CA C 13 56.306 0.3 . 1 . . . . . 36 ALA CA . 27557 1 142 . 1 1 40 40 ALA CB C 13 18.492 0.3 . 1 . . . . . 36 ALA CB . 27557 1 143 . 1 1 40 40 ALA N N 15 124.865 0.3 . 1 . . . . . 36 ALA N . 27557 1 144 . 1 1 41 41 LEU H H 1 8.282 0.02 . 1 . . . . . 37 LEU H . 27557 1 145 . 1 1 41 41 LEU C C 13 181.321 0.3 . 1 . . . . . 37 LEU C . 27557 1 146 . 1 1 41 41 LEU CA C 13 59.041 0.3 . 1 . . . . . 37 LEU CA . 27557 1 147 . 1 1 41 41 LEU CB C 13 39.13 0.3 . 1 . . . . . 37 LEU CB . 27557 1 148 . 1 1 41 41 LEU N N 15 115.779 0.3 . 1 . . . . . 37 LEU N . 27557 1 149 . 1 1 42 42 SER H H 1 8.079 0.02 . 1 . . . . . 38 SER H . 27557 1 150 . 1 1 42 42 SER C C 13 174.811 0.3 . 1 . . . . . 38 SER C . 27557 1 151 . 1 1 42 42 SER CA C 13 62.155 0.3 . 1 . . . . . 38 SER CA . 27557 1 152 . 1 1 42 42 SER CB C 13 62.993 0.3 . 1 . . . . . 38 SER CB . 27557 1 153 . 1 1 42 42 SER N N 15 116.583 0.3 . 1 . . . . . 38 SER N . 27557 1 154 . 1 1 43 43 LYS H H 1 7.186 0.02 . 1 . . . . . 39 LYS H . 27557 1 155 . 1 1 43 43 LYS C C 13 176.779 0.3 . 1 . . . . . 39 LYS C . 27557 1 156 . 1 1 43 43 LYS CA C 13 56.079 0.3 . 1 . . . . . 39 LYS CA . 27557 1 157 . 1 1 43 43 LYS CB C 13 32.639 0.3 . 1 . . . . . 39 LYS CB . 27557 1 158 . 1 1 43 43 LYS N N 15 119.671 0.3 . 1 . . . . . 39 LYS N . 27557 1 159 . 1 1 44 44 GLY H H 1 7.876 0.02 . 1 . . . . . 40 GLY H . 27557 1 160 . 1 1 44 44 GLY C C 13 174.299 0.3 . 1 . . . . . 40 GLY C . 27557 1 161 . 1 1 44 44 GLY CA C 13 46.083 0.3 . 1 . . . . . 40 GLY CA . 27557 1 162 . 1 1 44 44 GLY N N 15 107.59 0.3 . 1 . . . . . 40 GLY N . 27557 1 163 . 1 1 45 45 GLU H H 1 7.652 0.02 . 1 . . . . . 41 GLU H . 27557 1 164 . 1 1 45 45 GLU C C 13 173.944 0.3 . 1 . . . . . 41 GLU C . 27557 1 165 . 1 1 45 45 GLU CA C 13 54.801 0.3 . 1 . . . . . 41 GLU CA . 27557 1 166 . 1 1 45 45 GLU CB C 13 28.187 0.3 . 1 . . . . . 41 GLU CB . 27557 1 167 . 1 1 45 45 GLU N N 15 119.548 0.3 . 1 . . . . . 41 GLU N . 27557 1 168 . 1 1 46 46 SER H H 1 8.133 0.02 . 1 . . . . . 42 SER H . 27557 1 169 . 1 1 46 46 SER C C 13 178.953 0.3 . 1 . . . . . 42 SER C . 27557 1 170 . 1 1 46 46 SER CA C 13 57.47 0.3 . 1 . . . . . 42 SER CA . 27557 1 171 . 1 1 46 46 SER CB C 13 63.373 0.3 . 1 . . . . . 42 SER CB . 27557 1 172 . 1 1 46 46 SER N N 15 114.016 0.3 . 1 . . . . . 42 SER N . 27557 1 173 . 1 1 47 47 VAL H H 1 8.763 0.02 . 1 . . . . . 43 VAL H . 27557 1 174 . 1 1 47 47 VAL C C 13 173.92 0.3 . 1 . . . . . 43 VAL C . 27557 1 175 . 1 1 47 47 VAL CA C 13 61.701 0.3 . 1 . . . . . 43 VAL CA . 27557 1 176 . 1 1 47 47 VAL CB C 13 35.938 0.3 . 1 . . . . . 43 VAL CB . 27557 1 177 . 1 1 47 47 VAL N N 15 119.885 0.3 . 1 . . . . . 43 VAL N . 27557 1 178 . 1 1 48 48 GLU H H 1 8.838 0.02 . 1 . . . . . 44 GLU H . 27557 1 179 . 1 1 48 48 GLU C C 13 174.019 0.3 . 1 . . . . . 44 GLU C . 27557 1 180 . 1 1 48 48 GLU CA C 13 54.602 0.3 . 1 . . . . . 44 GLU CA . 27557 1 181 . 1 1 48 48 GLU CB C 13 26.439 0.3 . 1 . . . . . 44 GLU CB . 27557 1 182 . 1 1 48 48 GLU N N 15 128.234 0.3 . 1 . . . . . 44 GLU N . 27557 1 183 . 1 1 49 49 LEU H H 1 8.672 0.02 . 1 . . . . . 45 LEU H . 27557 1 184 . 1 1 49 49 LEU C C 13 175.602 0.3 . 1 . . . . . 45 LEU C . 27557 1 185 . 1 1 49 49 LEU CA C 13 52.983 0.3 . 1 . . . . . 45 LEU CA . 27557 1 186 . 1 1 49 49 LEU CB C 13 42.322 0.3 . 1 . . . . . 45 LEU CB . 27557 1 187 . 1 1 49 49 LEU N N 15 131.338 0.3 . 1 . . . . . 45 LEU N . 27557 1 188 . 1 1 50 50 ILE H H 1 8.551 0.02 . 1 . . . . . 46 ILE H . 27557 1 189 . 1 1 50 50 ILE C C 13 177.284 0.3 . 1 . . . . . 46 ILE C . 27557 1 190 . 1 1 50 50 ILE CA C 13 64.171 0.3 . 1 . . . . . 46 ILE CA . 27557 1 191 . 1 1 50 50 ILE CB C 13 39.738 0.3 . 1 . . . . . 46 ILE CB . 27557 1 192 . 1 1 50 50 ILE N N 15 125.944 0.3 . 1 . . . . . 46 ILE N . 27557 1 193 . 1 1 51 51 GLY H H 1 8.869 0.02 . 1 . . . . . 47 GLY H . 27557 1 194 . 1 1 51 51 GLY C C 13 173.05 0.3 . 1 . . . . . 47 GLY C . 27557 1 195 . 1 1 51 51 GLY CA C 13 46.651 0.3 . 1 . . . . . 47 GLY CA . 27557 1 196 . 1 1 51 51 GLY N N 15 119.837 0.3 . 1 . . . . . 47 GLY N . 27557 1 197 . 1 1 52 52 PHE H H 1 8.213 0.02 . 1 . . . . . 48 PHE H . 27557 1 198 . 1 1 52 52 PHE C C 13 175.088 0.3 . 1 . . . . . 48 PHE C . 27557 1 199 . 1 1 52 52 PHE CA C 13 60.679 0.3 . 1 . . . . . 48 PHE CA . 27557 1 200 . 1 1 52 52 PHE CB C 13 41.182 0.3 . 1 . . . . . 48 PHE CB . 27557 1 201 . 1 1 52 52 PHE N N 15 123.509 0.3 . 1 . . . . . 48 PHE N . 27557 1 202 . 1 1 53 53 GLY H H 1 8.802 0.02 . 1 . . . . . 49 GLY H . 27557 1 203 . 1 1 53 53 GLY C C 13 169.587 0.3 . 1 . . . . . 49 GLY C . 27557 1 204 . 1 1 53 53 GLY CA C 13 45.941 0.3 . 1 . . . . . 49 GLY CA . 27557 1 205 . 1 1 53 53 GLY N N 15 106.055 0.3 . 1 . . . . . 49 GLY N . 27557 1 206 . 1 1 54 54 LYS H H 1 7.437 0.02 . 1 . . . . . 50 LYS H . 27557 1 207 . 1 1 54 54 LYS C C 13 176.037 0.3 . 1 . . . . . 50 LYS C . 27557 1 208 . 1 1 54 54 LYS CA C 13 53.438 0.3 . 1 . . . . . 50 LYS CA . 27557 1 209 . 1 1 54 54 LYS CB C 13 36.546 0.3 . 1 . . . . . 50 LYS CB . 27557 1 210 . 1 1 54 54 LYS N N 15 118.32 0.3 . 1 . . . . . 50 LYS N . 27557 1 211 . 1 1 55 55 PHE H H 1 9.145 0.02 . 1 . . . . . 51 PHE H . 27557 1 212 . 1 1 55 55 PHE C C 13 174.276 0.3 . 1 . . . . . 51 PHE C . 27557 1 213 . 1 1 55 55 PHE CA C 13 57.498 0.3 . 1 . . . . . 51 PHE CA . 27557 1 214 . 1 1 55 55 PHE CB C 13 41.182 0.3 . 1 . . . . . 51 PHE CB . 27557 1 215 . 1 1 55 55 PHE N N 15 123.999 0.3 . 1 . . . . . 51 PHE N . 27557 1 216 . 1 1 56 56 GLU H H 1 9.256 0.02 . 1 . . . . . 52 GLU H . 27557 1 217 . 1 1 56 56 GLU C C 13 173.168 0.3 . 1 . . . . . 52 GLU C . 27557 1 218 . 1 1 56 56 GLU CA C 13 54.091 0.3 . 1 . . . . . 52 GLU CA . 27557 1 219 . 1 1 56 56 GLU CB C 13 30.77 0.3 . 1 . . . . . 52 GLU CB . 27557 1 220 . 1 1 56 56 GLU N N 15 119.411 0.3 . 1 . . . . . 52 GLU N . 27557 1 221 . 1 1 57 57 THR H H 1 8.168 0.02 . 1 . . . . . 53 THR H . 27557 1 222 . 1 1 57 57 THR C C 13 174.316 0.3 . 1 . . . . . 53 THR C . 27557 1 223 . 1 1 57 57 THR CA C 13 55.909 0.3 . 1 . . . . . 53 THR CA . 27557 1 224 . 1 1 57 57 THR CB C 13 66.793 0.3 . 1 . . . . . 53 THR CB . 27557 1 225 . 1 1 57 57 THR N N 15 109.927 0.3 . 1 . . . . . 53 THR N . 27557 1 226 . 1 1 58 58 ALA H H 1 8.943 0.02 . 1 . . . . . 54 ALA H . 27557 1 227 . 1 1 58 58 ALA C C 13 177.601 0.3 . 1 . . . . . 54 ALA C . 27557 1 228 . 1 1 58 58 ALA CA C 13 52.983 0.3 . 1 . . . . . 54 ALA CA . 27557 1 229 . 1 1 58 58 ALA CB C 13 19.599 0.3 . 1 . . . . . 54 ALA CB . 27557 1 230 . 1 1 58 58 ALA N N 15 123.456 0.3 . 1 . . . . . 54 ALA N . 27557 1 231 . 1 1 59 59 GLU H H 1 8.427 0.02 . 1 . . . . . 55 GLU H . 27557 1 232 . 1 1 59 59 GLU C C 13 175.919 0.3 . 1 . . . . . 55 GLU C . 27557 1 233 . 1 1 59 59 GLU CA C 13 55.565 0.3 . 1 . . . . . 55 GLU CA . 27557 1 234 . 1 1 59 59 GLU CB C 13 29.175 0.3 . 1 . . . . . 55 GLU CB . 27557 1 235 . 1 1 59 59 GLU N N 15 120.544 0.3 . 1 . . . . . 55 GLU N . 27557 1 236 . 1 1 60 60 GLN H H 1 9.001 0.02 . 1 . . . . . 56 GLN H . 27557 1 237 . 1 1 60 60 GLN C C 13 175.028 0.3 . 1 . . . . . 56 GLN C . 27557 1 238 . 1 1 60 60 GLN CA C 13 55.177 0.3 . 1 . . . . . 56 GLN CA . 27557 1 239 . 1 1 60 60 GLN CB C 13 30.912 0.3 . 1 . . . . . 56 GLN CB . 27557 1 240 . 1 1 60 60 GLN N N 15 125.824 0.3 . 1 . . . . . 56 GLN N . 27557 1 241 . 1 1 61 61 LYS H H 1 8.486 0.02 . 1 . . . . . 57 LYS H . 27557 1 242 . 1 1 61 61 LYS C C 13 177.106 0.3 . 1 . . . . . 57 LYS C . 27557 1 243 . 1 1 61 61 LYS CA C 13 56.788 0.3 . 1 . . . . . 57 LYS CA . 27557 1 244 . 1 1 61 61 LYS CB C 13 33.354 0.3 . 1 . . . . . 57 LYS CB . 27557 1 245 . 1 1 61 61 LYS N N 15 125.875 0.3 . 1 . . . . . 57 LYS N . 27557 1 246 . 1 1 62 62 GLY H H 1 8.204 0.02 . 1 . . . . . 58 GLY H . 27557 1 247 . 1 1 62 62 GLY C C 13 173.346 0.3 . 1 . . . . . 58 GLY C . 27557 1 248 . 1 1 62 62 GLY CA C 13 45.146 0.3 . 1 . . . . . 58 GLY CA . 27557 1 249 . 1 1 62 62 GLY N N 15 110.593 0.3 . 1 . . . . . 58 GLY N . 27557 1 250 . 1 1 63 63 LYS H H 1 8.161 0.02 . 1 . . . . . 59 LYS H . 27557 1 251 . 1 1 63 63 LYS C C 13 176.255 0.3 . 1 . . . . . 59 LYS C . 27557 1 252 . 1 1 63 63 LYS CA C 13 56.192 0.3 . 1 . . . . . 59 LYS CA . 27557 1 253 . 1 1 63 63 LYS CB C 13 33.734 0.3 . 1 . . . . . 59 LYS CB . 27557 1 254 . 1 1 63 63 LYS N N 15 120.755 0.3 . 1 . . . . . 59 LYS N . 27557 1 255 . 1 1 64 64 GLU H H 1 8.3 0.02 . 1 . . . . . 60 GLU H . 27557 1 256 . 1 1 64 64 GLU C C 13 175.939 0.3 . 1 . . . . . 60 GLU C . 27557 1 257 . 1 1 64 64 GLU CA C 13 55.709 0.3 . 1 . . . . . 60 GLU CA . 27557 1 258 . 1 1 64 64 GLU CB C 13 29.251 0.3 . 1 . . . . . 60 GLU CB . 27557 1 259 . 1 1 64 64 GLU N N 15 121.294 0.3 . 1 . . . . . 60 GLU N . 27557 1 260 . 1 1 65 65 GLY H H 1 8.18 0.02 . 1 . . . . . 61 GLY H . 27557 1 261 . 1 1 65 65 GLY C C 13 172.872 0.3 . 1 . . . . . 61 GLY C . 27557 1 262 . 1 1 65 65 GLY CA C 13 45.061 0.3 . 1 . . . . . 61 GLY CA . 27557 1 263 . 1 1 65 65 GLY N N 15 110.395 0.3 . 1 . . . . . 61 GLY N . 27557 1 264 . 1 1 66 66 LYS H H 1 8.102 0.02 . 1 . . . . . 62 LYS H . 27557 1 265 . 1 1 66 66 LYS C C 13 176.591 0.3 . 1 . . . . . 62 LYS C . 27557 1 266 . 1 1 66 66 LYS CA C 13 56.164 0.3 . 1 . . . . . 62 LYS CA . 27557 1 267 . 1 1 66 66 LYS CB C 13 33.768 0.3 . 1 . . . . . 62 LYS CB . 27557 1 268 . 1 1 66 66 LYS N N 15 120.216 0.3 . 1 . . . . . 62 LYS N . 27557 1 269 . 1 1 67 67 VAL H H 1 8.18 0.02 . 1 . . . . . 63 VAL H . 27557 1 270 . 1 1 67 67 VAL C C 13 174.642 0.3 . 1 . . . . . 63 VAL C . 27557 1 271 . 1 1 67 67 VAL CA C 13 60.224 0.3 . 1 . . . . . 63 VAL CA . 27557 1 272 . 1 1 67 67 VAL CB C 13 31.909 0.3 . 1 . . . . . 63 VAL CB . 27557 1 273 . 1 1 67 67 VAL N N 15 124.149 0.3 . 1 . . . . . 63 VAL N . 27557 1 274 . 1 1 68 68 PRO C C 13 177.66 0.3 . 1 . . . . . 64 PRO C . 27557 1 275 . 1 1 68 68 PRO CA C 13 64.086 0.3 . 1 . . . . . 64 PRO CA . 27557 1 276 . 1 1 69 69 GLY H H 1 8.49 0.02 . 1 . . . . . 65 GLY H . 27557 1 277 . 1 1 69 69 GLY C C 13 176.44 0.3 . 1 . . . . . 65 GLY C . 27557 1 278 . 1 1 69 69 GLY CA C 13 45.771 0.3 . 1 . . . . . 65 GLY CA . 27557 1 279 . 1 1 69 69 GLY N N 15 110.658 0.3 . 1 . . . . . 65 GLY N . 27557 1 280 . 1 1 70 70 SER H H 1 7.907 0.02 . 1 . . . . . 66 SER H . 27557 1 281 . 1 1 70 70 SER C C 13 174.139 0.3 . 1 . . . . . 66 SER C . 27557 1 282 . 1 1 70 70 SER CA C 13 57.953 0.3 . 1 . . . . . 66 SER CA . 27557 1 283 . 1 1 70 70 SER CB C 13 64.986 0.3 . 1 . . . . . 66 SER CB . 27557 1 284 . 1 1 70 70 SER N N 15 114.539 0.3 . 1 . . . . . 66 SER N . 27557 1 285 . 1 1 71 71 ASP H H 1 8.382 0.02 . 1 . . . . . 67 ASP H . 27557 1 286 . 1 1 71 71 ASP C C 13 175.226 0.3 . 1 . . . . . 67 ASP C . 27557 1 287 . 1 1 71 71 ASP CA C 13 53.069 0.3 . 1 . . . . . 67 ASP CA . 27557 1 288 . 1 1 71 71 ASP CB C 13 37.99 0.3 . 1 . . . . . 67 ASP CB . 27557 1 289 . 1 1 71 71 ASP N N 15 119.873 0.3 . 1 . . . . . 67 ASP N . 27557 1 290 . 1 1 72 72 LYS H H 1 8.063 0.02 . 1 . . . . . 68 LYS H . 27557 1 291 . 1 1 72 72 LYS C C 13 176.156 0.3 . 1 . . . . . 68 LYS C . 27557 1 292 . 1 1 72 72 LYS CA C 13 56.732 0.3 . 1 . . . . . 68 LYS CA . 27557 1 293 . 1 1 72 72 LYS CB C 13 33.171 0.3 . 1 . . . . . 68 LYS CB . 27557 1 294 . 1 1 72 72 LYS N N 15 120.482 0.3 . 1 . . . . . 68 LYS N . 27557 1 295 . 1 1 73 73 THR H H 1 7.884 0.02 . 1 . . . . . 69 THR H . 27557 1 296 . 1 1 73 73 THR C C 13 174.138 0.3 . 1 . . . . . 69 THR C . 27557 1 297 . 1 1 73 73 THR CA C 13 61.644 0.3 . 1 . . . . . 69 THR CA . 27557 1 298 . 1 1 73 73 THR CB C 13 70.765 0.3 . 1 . . . . . 69 THR CB . 27557 1 299 . 1 1 73 73 THR N N 15 113.768 0.3 . 1 . . . . . 69 THR N . 27557 1 300 . 1 1 74 74 TYR H H 1 8.114 0.02 . 1 . . . . . 70 TYR H . 27557 1 301 . 1 1 74 74 TYR C C 13 175.068 0.3 . 1 . . . . . 70 TYR C . 27557 1 302 . 1 1 74 74 TYR CA C 13 57.782 0.3 . 1 . . . . . 70 TYR CA . 27557 1 303 . 1 1 74 74 TYR CB C 13 39.813 0.3 . 1 . . . . . 70 TYR CB . 27557 1 304 . 1 1 74 74 TYR N N 15 121.775 0.3 . 1 . . . . . 70 TYR N . 27557 1 305 . 1 1 75 75 LYS H H 1 8.198 0.02 . 1 . . . . . 71 LYS H . 27557 1 306 . 1 1 75 75 LYS C C 13 176.394 0.3 . 1 . . . . . 71 LYS C . 27557 1 307 . 1 1 75 75 LYS CA C 13 56.306 0.3 . 1 . . . . . 71 LYS CA . 27557 1 308 . 1 1 75 75 LYS CB C 13 33.658 0.3 . 1 . . . . . 71 LYS CB . 27557 1 309 . 1 1 75 75 LYS N N 15 122.199 0.3 . 1 . . . . . 71 LYS N . 27557 1 310 . 1 1 76 76 THR H H 1 8.113 0.02 . 1 . . . . . 72 THR H . 27557 1 311 . 1 1 76 76 THR C C 13 174.158 0.3 . 1 . . . . . 72 THR C . 27557 1 312 . 1 1 76 76 THR CA C 13 61.928 0.3 . 1 . . . . . 72 THR CA . 27557 1 313 . 1 1 76 76 THR CB C 13 70.366 0.3 . 1 . . . . . 72 THR CB . 27557 1 314 . 1 1 76 76 THR N N 15 115.605 0.3 . 1 . . . . . 72 THR N . 27557 1 315 . 1 1 77 77 GLU H H 1 8.215 0.02 . 1 . . . . . 73 GLU H . 27557 1 316 . 1 1 77 77 GLU C C 13 175.365 0.3 . 1 . . . . . 73 GLU C . 27557 1 317 . 1 1 77 77 GLU CA C 13 55.482 0.3 . 1 . . . . . 73 GLU CA . 27557 1 318 . 1 1 77 77 GLU CB C 13 29.456 0.3 . 1 . . . . . 73 GLU CB . 27557 1 319 . 1 1 77 77 GLU N N 15 121.463 0.3 . 1 . . . . . 73 GLU N . 27557 1 320 . 1 1 78 78 ASP H H 1 8.397 0.02 . 1 . . . . . 74 ASP H . 27557 1 321 . 1 1 78 78 ASP C C 13 174.474 0.3 . 1 . . . . . 74 ASP C . 27557 1 322 . 1 1 78 78 ASP CA C 13 53.154 0.3 . 1 . . . . . 74 ASP CA . 27557 1 323 . 1 1 78 78 ASP CB C 13 38.598 0.3 . 1 . . . . . 74 ASP CB . 27557 1 324 . 1 1 78 78 ASP N N 15 120.677 0.3 . 1 . . . . . 74 ASP N . 27557 1 325 . 1 1 79 79 LYS H H 1 8.358 0.02 . 1 . . . . . 75 LYS H . 27557 1 326 . 1 1 79 79 LYS C C 13 176.453 0.3 . 1 . . . . . 75 LYS C . 27557 1 327 . 1 1 79 79 LYS CA C 13 56.229 0.3 . 1 . . . . . 75 LYS CA . 27557 1 328 . 1 1 79 79 LYS CB C 13 32.639 0.3 . 1 . . . . . 75 LYS CB . 27557 1 329 . 1 1 79 79 LYS N N 15 121.212 0.3 . 1 . . . . . 75 LYS N . 27557 1 330 . 1 1 80 80 ARG H H 1 8.127 0.02 . 1 . . . . . 76 ARG H . 27557 1 331 . 1 1 80 80 ARG C C 13 175.543 0.3 . 1 . . . . . 76 ARG C . 27557 1 332 . 1 1 80 80 ARG CA C 13 56.63 0.3 . 1 . . . . . 76 ARG CA . 27557 1 333 . 1 1 80 80 ARG CB C 13 33.354 0.3 . 1 . . . . . 76 ARG CB . 27557 1 334 . 1 1 80 80 ARG N N 15 121.454 0.3 . 1 . . . . . 76 ARG N . 27557 1 335 . 1 1 81 81 VAL H H 1 7.885 0.02 . 1 . . . . . 77 VAL H . 27557 1 336 . 1 1 81 81 VAL C C 13 174.87 0.3 . 1 . . . . . 77 VAL C . 27557 1 337 . 1 1 81 81 VAL CA C 13 59.434 0.3 . 1 . . . . . 77 VAL CA . 27557 1 338 . 1 1 81 81 VAL N N 15 120.875 0.3 . 1 . . . . . 77 VAL N . 27557 1 339 . 1 1 82 82 PRO C C 13 175.325 0.3 . 1 . . . . . 78 PRO C . 27557 1 340 . 1 1 82 82 PRO CA C 13 61.36 0.3 . 1 . . . . . 78 PRO CA . 27557 1 341 . 1 1 83 83 LYS H H 1 8.917 0.02 . 1 . . . . . 79 LYS H . 27557 1 342 . 1 1 83 83 LYS C C 13 173.55 0.3 . 1 . . . . . 79 LYS C . 27557 1 343 . 1 1 83 83 LYS CA C 13 55.624 0.3 . 1 . . . . . 79 LYS CA . 27557 1 344 . 1 1 83 83 LYS CB C 13 37.089 0.3 . 1 . . . . . 79 LYS CB . 27557 1 345 . 1 1 83 83 LYS N N 15 119.647 0.3 . 1 . . . . . 79 LYS N . 27557 1 346 . 1 1 84 84 PHE H H 1 8.645 0.02 . 1 . . . . . 80 PHE H . 27557 1 347 . 1 1 84 84 PHE C C 13 173.742 0.3 . 1 . . . . . 80 PHE C . 27557 1 348 . 1 1 84 84 PHE CA C 13 55.085 0.3 . 1 . . . . . 80 PHE CA . 27557 1 349 . 1 1 84 84 PHE CB C 13 42.93 0.3 . 1 . . . . . 80 PHE CB . 27557 1 350 . 1 1 84 84 PHE N N 15 122.269 0.3 . 1 . . . . . 80 PHE N . 27557 1 351 . 1 1 85 85 LYS H H 1 8.404 0.02 . 1 . . . . . 81 LYS H . 27557 1 352 . 1 1 85 85 LYS C C 13 178.51 0.3 . 1 . . . . . 81 LYS C . 27557 1 353 . 1 1 85 85 LYS CA C 13 51.393 0.3 . 1 . . . . . 81 LYS CA . 27557 1 354 . 1 1 85 85 LYS N N 15 128.983 0.3 . 1 . . . . . 81 LYS N . 27557 1 355 . 1 1 86 86 PRO C C 13 175.167 0.3 . 1 . . . . . 82 PRO C . 27557 1 356 . 1 1 86 86 PRO CA C 13 63.234 0.3 . 1 . . . . . 82 PRO CA . 27557 1 357 . 1 1 87 87 GLY H H 1 8.082 0.02 . 1 . . . . . 83 GLY H . 27557 1 358 . 1 1 87 87 GLY C C 13 174.257 0.3 . 1 . . . . . 83 GLY C . 27557 1 359 . 1 1 87 87 GLY CA C 13 43.698 0.3 . 1 . . . . . 83 GLY CA . 27557 1 360 . 1 1 87 87 GLY N N 15 111.881 0.3 . 1 . . . . . 83 GLY N . 27557 1 361 . 1 1 88 88 LYS H H 1 8.376 0.02 . 1 . . . . . 84 LYS H . 27557 1 362 . 1 1 88 88 LYS C C 13 176.789 0.3 . 1 . . . . . 84 LYS C . 27557 1 363 . 1 1 88 88 LYS CA C 13 60.769 0.3 . 1 . . . . . 84 LYS CA . 27557 1 364 . 1 1 88 88 LYS CB C 13 33.24 0.3 . 1 . . . . . 84 LYS CB . 27557 1 365 . 1 1 88 88 LYS N N 15 118.25 0.3 . 1 . . . . . 84 LYS N . 27557 1 366 . 1 1 89 89 THR H H 1 8.168 0.02 . 1 . . . . . 85 THR H . 27557 1 367 . 1 1 89 89 THR C C 13 176.077 0.3 . 1 . . . . . 85 THR C . 27557 1 368 . 1 1 89 89 THR CA C 13 66.5 0.3 . 1 . . . . . 85 THR CA . 27557 1 369 . 1 1 89 89 THR CB C 13 68.108 0.3 . 1 . . . . . 85 THR CB . 27557 1 370 . 1 1 89 89 THR N N 15 115.123 0.3 . 1 . . . . . 85 THR N . 27557 1 371 . 1 1 90 90 LEU H H 1 7.338 0.02 . 1 . . . . . 86 LEU H . 27557 1 372 . 1 1 90 90 LEU C C 13 173.9 0.3 . 1 . . . . . 86 LEU C . 27557 1 373 . 1 1 90 90 LEU CA C 13 59.032 0.3 . 1 . . . . . 86 LEU CA . 27557 1 374 . 1 1 90 90 LEU CB C 13 41.473 0.3 . 1 . . . . . 86 LEU CB . 27557 1 375 . 1 1 90 90 LEU N N 15 121.686 0.3 . 1 . . . . . 86 LEU N . 27557 1 376 . 1 1 91 91 LYS H H 1 8.131 0.02 . 1 . . . . . 87 LYS H . 27557 1 377 . 1 1 91 91 LYS C C 13 178.887 0.3 . 1 . . . . . 87 LYS C . 27557 1 378 . 1 1 91 91 LYS CA C 13 61.36 0.3 . 1 . . . . . 87 LYS CA . 27557 1 379 . 1 1 91 91 LYS CB C 13 32.44 0.3 . 1 . . . . . 87 LYS CB . 27557 1 380 . 1 1 91 91 LYS N N 15 114.153 0.3 . 1 . . . . . 87 LYS N . 27557 1 381 . 1 1 92 92 GLN H H 1 7.889 0.02 . 1 . . . . . 88 GLN H . 27557 1 382 . 1 1 92 92 GLN C C 13 178.353 0.3 . 1 . . . . . 88 GLN C . 27557 1 383 . 1 1 92 92 GLN CA C 13 59.6 0.3 . 1 . . . . . 88 GLN CA . 27557 1 384 . 1 1 92 92 GLN CB C 13 28.255 0.3 . 1 . . . . . 88 GLN CB . 27557 1 385 . 1 1 92 92 GLN N N 15 119.732 0.3 . 1 . . . . . 88 GLN N . 27557 1 386 . 1 1 93 93 LYS H H 1 8.339 0.02 . 1 . . . . . 89 LYS H . 27557 1 387 . 1 1 93 93 LYS C C 13 179.223 0.3 . 1 . . . . . 89 LYS C . 27557 1 388 . 1 1 93 93 LYS CA C 13 58.918 0.3 . 1 . . . . . 89 LYS CA . 27557 1 389 . 1 1 93 93 LYS CB C 13 32.241 0.3 . 1 . . . . . 89 LYS CB . 27557 1 390 . 1 1 93 93 LYS N N 15 117.262 0.3 . 1 . . . . . 89 LYS N . 27557 1 391 . 1 1 94 94 VAL H H 1 7.511 0.02 . 1 . . . . . 90 VAL H . 27557 1 392 . 1 1 94 94 VAL C C 13 177.324 0.3 . 1 . . . . . 90 VAL C . 27557 1 393 . 1 1 94 94 VAL CA C 13 65.818 0.3 . 1 . . . . . 90 VAL CA . 27557 1 394 . 1 1 94 94 VAL CB C 13 32.062 0.3 . 1 . . . . . 90 VAL CB . 27557 1 395 . 1 1 94 94 VAL N N 15 115.111 0.3 . 1 . . . . . 90 VAL N . 27557 1 396 . 1 1 95 95 GLU H H 1 8.013 0.02 . 1 . . . . . 91 GLU H . 27557 1 397 . 1 1 95 95 GLU C C 13 180.232 0.3 . 1 . . . . . 91 GLU C . 27557 1 398 . 1 1 95 95 GLU CA C 13 57.825 0.3 . 1 . . . . . 91 GLU CA . 27557 1 399 . 1 1 95 95 GLU CB C 13 29.783 0.3 . 1 . . . . . 91 GLU CB . 27557 1 400 . 1 1 95 95 GLU N N 15 119.772 0.3 . 1 . . . . . 91 GLU N . 27557 1 401 . 1 1 96 96 GLU H H 1 8.036 0.02 . 1 . . . . . 92 GLU H . 27557 1 402 . 1 1 96 96 GLU C C 13 176.631 0.3 . 1 . . . . . 92 GLU C . 27557 1 403 . 1 1 96 96 GLU CA C 13 56.471 0.3 . 1 . . . . . 92 GLU CA . 27557 1 404 . 1 1 96 96 GLU CB C 13 28.571 0.3 . 1 . . . . . 92 GLU CB . 27557 1 405 . 1 1 96 96 GLU N N 15 117.278 0.3 . 1 . . . . . 92 GLU N . 27557 1 406 . 1 1 97 97 GLY H H 1 7.628 0.02 . 1 . . . . . 93 GLY H . 27557 1 407 . 1 1 97 97 GLY C C 13 173.564 0.3 . 1 . . . . . 93 GLY C . 27557 1 408 . 1 1 97 97 GLY CA C 13 45.703 0.3 . 1 . . . . . 93 GLY CA . 27557 1 409 . 1 1 97 97 GLY N N 15 107.91 0.3 . 1 . . . . . 93 GLY N . 27557 1 410 . 1 1 98 98 LYS H H 1 7.967 0.02 . 1 . . . . . 94 LYS H . 27557 1 411 . 1 1 98 98 LYS C C 13 177.917 0.3 . 1 . . . . . 94 LYS C . 27557 1 412 . 1 1 98 98 LYS CA C 13 55.34 0.3 . 1 . . . . . 94 LYS CA . 27557 1 413 . 1 1 98 98 LYS N N 15 119.976 0.3 . 1 . . . . . 94 LYS N . 27557 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 27557 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method PANAV _Assigned_chem_shift_list.Details ; Probabilistic Approach to NMR Assignment and Validation (Online Application tool) CO: -0.06ppm CA: -0.38ppm CB: 0.71ppm N: 0.77ppm ; _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' . . . 27557 2 2 '3D HNCO' . . . 27557 2 3 '3D HNCA' . . . 27557 2 4 '3D CBCA(CO)NH' . . . 27557 2 5 '3D HN(CA)CO' . . . 27557 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 $CARA . . 27557 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.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 11 11 ILE H H 1 8.5 0.02 . 1 . . . . . 7 ILE H . 27557 2 2 . 1 1 11 11 ILE C C 13 177.85 0.3 . 1 . . . . . 7 ILE C . 27557 2 3 . 1 1 11 11 ILE CA C 13 66.369 0.3 . 1 . . . . . 7 ILE CA . 27557 2 4 . 1 1 11 11 ILE CB C 13 43.514 0.3 . 1 . . . . . 7 ILE CB . 27557 2 5 . 1 1 11 11 ILE N N 15 117.665 0.3 . 1 . . . . . 7 ILE N . 27557 2 6 . 1 1 12 12 ASP H H 1 7.743 0.02 . 1 . . . . . 8 ASP H . 27557 2 7 . 1 1 12 12 ASP C C 13 177.409 0.3 . 1 . . . . . 8 ASP C . 27557 2 8 . 1 1 12 12 ASP CA C 13 56.221 0.3 . 1 . . . . . 8 ASP CA . 27557 2 9 . 1 1 12 12 ASP CB C 13 37.196 0.3 . 1 . . . . . 8 ASP CB . 27557 2 10 . 1 1 12 12 ASP N N 15 117.36 0.3 . 1 . . . . . 8 ASP N . 27557 2 11 . 1 1 13 13 LEU H H 1 7.838 0.02 . 1 . . . . . 9 LEU H . 27557 2 12 . 1 1 13 13 LEU C C 13 179.59 0.3 . 1 . . . . . 9 LEU C . 27557 2 13 . 1 1 13 13 LEU CA C 13 58.151 0.3 . 1 . . . . . 9 LEU CA . 27557 2 14 . 1 1 13 13 LEU CB C 13 42.294 0.3 . 1 . . . . . 9 LEU CB . 27557 2 15 . 1 1 13 13 LEU N N 15 122.55 0.3 . 1 . . . . . 9 LEU N . 27557 2 16 . 1 1 14 14 VAL H H 1 8.015 0.02 . 1 . . . . . 10 VAL H . 27557 2 17 . 1 1 14 14 VAL C C 13 177.78 0.3 . 1 . . . . . 10 VAL C . 27557 2 18 . 1 1 14 14 VAL CA C 13 67.011 0.3 . 1 . . . . . 10 VAL CA . 27557 2 19 . 1 1 14 14 VAL CB C 13 31.1 0.3 . 1 . . . . . 10 VAL CB . 27557 2 20 . 1 1 14 14 VAL N N 15 121.718 0.3 . 1 . . . . . 10 VAL N . 27557 2 21 . 1 1 15 15 LYS H H 1 8.603 0.02 . 1 . . . . . 11 LYS H . 27557 2 22 . 1 1 15 15 LYS C C 13 178.308 0.3 . 1 . . . . . 11 LYS C . 27557 2 23 . 1 1 15 15 LYS CA C 13 60.732 0.3 . 1 . . . . . 11 LYS CA . 27557 2 24 . 1 1 15 15 LYS CB C 13 32.905 0.3 . 1 . . . . . 11 LYS CB . 27557 2 25 . 1 1 15 15 LYS N N 15 120.203 0.3 . 1 . . . . . 11 LYS N . 27557 2 26 . 1 1 16 16 GLU H H 1 7.942 0.02 . 1 . . . . . 12 GLU H . 27557 2 27 . 1 1 16 16 GLU C C 13 179.422 0.3 . 1 . . . . . 12 GLU C . 27557 2 28 . 1 1 16 16 GLU CA C 13 58.435 0.3 . 1 . . . . . 12 GLU CA . 27557 2 29 . 1 1 16 16 GLU CB C 13 28.127 0.3 . 1 . . . . . 12 GLU CB . 27557 2 30 . 1 1 16 16 GLU N N 15 116.592 0.3 . 1 . . . . . 12 GLU N . 27557 2 31 . 1 1 17 17 ALA H H 1 8.625 0.02 . 1 . . . . . 13 ALA H . 27557 2 32 . 1 1 17 17 ALA C C 13 179.729 0.3 . 1 . . . . . 13 ALA C . 27557 2 33 . 1 1 17 17 ALA CA C 13 55.056 0.3 . 1 . . . . . 13 ALA CA . 27557 2 34 . 1 1 17 17 ALA CB C 13 19.289 0.3 . 1 . . . . . 13 ALA CB . 27557 2 35 . 1 1 17 17 ALA N N 15 123.224 0.3 . 1 . . . . . 13 ALA N . 27557 2 36 . 1 1 18 18 GLY H H 1 8.191 0.02 . 1 . . . . . 14 GLY H . 27557 2 37 . 1 1 18 18 GLY C C 13 172.095 0.3 . 1 . . . . . 14 GLY C . 27557 2 38 . 1 1 18 18 GLY CA C 13 44.692 0.3 . 1 . . . . . 14 GLY CA . 27557 2 39 . 1 1 18 18 GLY N N 15 102.499 0.3 . 1 . . . . . 14 GLY N . 27557 2 40 . 1 1 19 19 LYS H H 1 7.422 0.02 . 1 . . . . . 15 LYS H . 27557 2 41 . 1 1 19 19 LYS C C 13 176.759 0.3 . 1 . . . . . 15 LYS C . 27557 2 42 . 1 1 19 19 LYS CA C 13 57.276 0.3 . 1 . . . . . 15 LYS CA . 27557 2 43 . 1 1 19 19 LYS CB C 13 28.853 0.3 . 1 . . . . . 15 LYS CB . 27557 2 44 . 1 1 19 19 LYS N N 15 116.383 0.3 . 1 . . . . . 15 LYS N . 27557 2 45 . 1 1 20 20 TYR H H 1 8.063 0.02 . 1 . . . . . 16 TYR H . 27557 2 46 . 1 1 20 20 TYR CA C 13 58.089 0.3 . 1 . . . . . 16 TYR CA . 27557 2 47 . 1 1 20 20 TYR CB C 13 39.414 0.3 . 1 . . . . . 16 TYR CB . 27557 2 48 . 1 1 20 20 TYR N N 15 116.794 0.3 . 1 . . . . . 16 TYR N . 27557 2 49 . 1 1 22 22 SER H H 1 7.488 0.02 . 1 . . . . . 18 SER H . 27557 2 50 . 1 1 22 22 SER C C 13 174.554 0.3 . 1 . . . . . 18 SER C . 27557 2 51 . 1 1 22 22 SER CA C 13 55.993 0.3 . 1 . . . . . 18 SER CA . 27557 2 52 . 1 1 22 22 SER CB C 13 66.707 0.3 . 1 . . . . . 18 SER CB . 27557 2 53 . 1 1 22 22 SER N N 15 109.968 0.3 . 1 . . . . . 18 SER N . 27557 2 54 . 1 1 23 23 LYS H H 1 9.044 0.02 . 1 . . . . . 19 LYS H . 27557 2 55 . 1 1 23 23 LYS C C 13 178.403 0.3 . 1 . . . . . 19 LYS C . 27557 2 56 . 1 1 23 23 LYS CA C 13 60.395 0.3 . 1 . . . . . 19 LYS CA . 27557 2 57 . 1 1 23 23 LYS CB C 13 32.045 0.3 . 1 . . . . . 19 LYS CB . 27557 2 58 . 1 1 23 23 LYS N N 15 123.634 0.3 . 1 . . . . . 19 LYS N . 27557 2 59 . 1 1 24 24 ARG H H 1 8.265 0.02 . 1 . . . . . 20 ARG H . 27557 2 60 . 1 1 24 24 ARG C C 13 178.811 0.3 . 1 . . . . . 20 ARG C . 27557 2 61 . 1 1 24 24 ARG CA C 13 59.514 0.3 . 1 . . . . . 20 ARG CA . 27557 2 62 . 1 1 24 24 ARG CB C 13 29.529 0.3 . 1 . . . . . 20 ARG CB . 27557 2 63 . 1 1 24 24 ARG N N 15 119.662 0.3 . 1 . . . . . 20 ARG N . 27557 2 64 . 1 1 25 25 GLU H H 1 7.495 0.02 . 1 . . . . . 21 GLU H . 27557 2 65 . 1 1 25 25 GLU C C 13 178.854 0.3 . 1 . . . . . 21 GLU C . 27557 2 66 . 1 1 25 25 GLU CA C 13 58.521 0.3 . 1 . . . . . 21 GLU CA . 27557 2 67 . 1 1 25 25 GLU CB C 13 28.052 0.3 . 1 . . . . . 21 GLU CB . 27557 2 68 . 1 1 25 25 GLU N N 15 117.347 0.3 . 1 . . . . . 21 GLU N . 27557 2 69 . 1 1 26 26 ALA H H 1 6.917 0.02 . 1 . . . . . 22 ALA H . 27557 2 70 . 1 1 26 26 ALA C C 13 178.286 0.3 . 1 . . . . . 22 ALA C . 27557 2 71 . 1 1 26 26 ALA CA C 13 55.028 0.3 . 1 . . . . . 22 ALA CA . 27557 2 72 . 1 1 26 26 ALA CB C 13 18.994 0.3 . 1 . . . . . 22 ALA CB . 27557 2 73 . 1 1 26 26 ALA N N 15 121.934 0.3 . 1 . . . . . 22 ALA N . 27557 2 74 . 1 1 27 27 GLU H H 1 8.462 0.02 . 1 . . . . . 23 GLU H . 27557 2 75 . 1 1 27 27 GLU C C 13 179.126 0.3 . 1 . . . . . 23 GLU C . 27557 2 76 . 1 1 27 27 GLU CA C 13 59.23 0.3 . 1 . . . . . 23 GLU CA . 27557 2 77 . 1 1 27 27 GLU CB C 13 27.771 0.3 . 1 . . . . . 23 GLU CB . 27557 2 78 . 1 1 27 27 GLU N N 15 116.971 0.3 . 1 . . . . . 23 GLU N . 27557 2 79 . 1 1 28 28 GLU H H 1 8.156 0.02 . 1 . . . . . 24 GLU H . 27557 2 80 . 1 1 28 28 GLU C C 13 177.27 0.3 . 1 . . . . . 24 GLU C . 27557 2 81 . 1 1 28 28 GLU CA C 13 58.492 0.3 . 1 . . . . . 24 GLU CA . 27557 2 82 . 1 1 28 28 GLU CB C 13 27.771 0.3 . 1 . . . . . 24 GLU CB . 27557 2 83 . 1 1 28 28 GLU N N 15 119.853 0.3 . 1 . . . . . 24 GLU N . 27557 2 84 . 1 1 29 29 ALA H H 1 7.279 0.02 . 1 . . . . . 25 ALA H . 27557 2 85 . 1 1 29 29 ALA C C 13 179.613 0.3 . 1 . . . . . 25 ALA C . 27557 2 86 . 1 1 29 29 ALA CA C 13 55.681 0.3 . 1 . . . . . 25 ALA CA . 27557 2 87 . 1 1 29 29 ALA CB C 13 17.761 0.3 . 1 . . . . . 25 ALA CB . 27557 2 88 . 1 1 29 29 ALA N N 15 122.199 0.3 . 1 . . . . . 25 ALA N . 27557 2 89 . 1 1 30 30 ILE H H 1 7.584 0.02 . 1 . . . . . 26 ILE H . 27557 2 90 . 1 1 30 30 ILE C C 13 179.149 0.3 . 1 . . . . . 26 ILE C . 27557 2 91 . 1 1 30 30 ILE CA C 13 66.273 0.3 . 1 . . . . . 26 ILE CA . 27557 2 92 . 1 1 30 30 ILE N N 15 116.266 0.3 . 1 . . . . . 26 ILE N . 27557 2 93 . 1 1 31 31 SER H H 1 8.246 0.02 . 1 . . . . . 27 SER H . 27557 2 94 . 1 1 31 31 SER C C 13 174.972 0.3 . 1 . . . . . 27 SER C . 27557 2 95 . 1 1 31 31 SER CA C 13 62.155 0.3 . 1 . . . . . 27 SER CA . 27557 2 96 . 1 1 31 31 SER CB C 13 65.592 0.3 . 1 . . . . . 27 SER CB . 27557 2 97 . 1 1 31 31 SER N N 15 116.537 0.3 . 1 . . . . . 27 SER N . 27557 2 98 . 1 1 32 32 ALA H H 1 8.727 0.02 . 1 . . . . . 28 ALA H . 27557 2 99 . 1 1 32 32 ALA C C 13 178.685 0.3 . 1 . . . . . 28 ALA C . 27557 2 100 . 1 1 32 32 ALA CA C 13 55.142 0.3 . 1 . . . . . 28 ALA CA . 27557 2 101 . 1 1 32 32 ALA CB C 13 18.89 0.3 . 1 . . . . . 28 ALA CB . 27557 2 102 . 1 1 32 32 ALA N N 15 122.239 0.3 . 1 . . . . . 28 ALA N . 27557 2 103 . 1 1 33 33 PHE H H 1 8.152 0.02 . 1 . . . . . 29 PHE H . 27557 2 104 . 1 1 33 33 PHE C C 13 176.898 0.3 . 1 . . . . . 29 PHE C . 27557 2 105 . 1 1 33 33 PHE CA C 13 63.064 0.3 . 1 . . . . . 29 PHE CA . 27557 2 106 . 1 1 33 33 PHE CB C 13 39.946 0.3 . 1 . . . . . 29 PHE CB . 27557 2 107 . 1 1 33 33 PHE N N 15 115.435 0.3 . 1 . . . . . 29 PHE N . 27557 2 108 . 1 1 34 34 THR H H 1 7.788 0.02 . 1 . . . . . 30 THR H . 27557 2 109 . 1 1 34 34 THR C C 13 177.223 0.3 . 1 . . . . . 30 THR C . 27557 2 110 . 1 1 34 34 THR CA C 13 64.711 0.3 . 1 . . . . . 30 THR CA . 27557 2 111 . 1 1 34 34 THR N N 15 107.186 0.3 . 1 . . . . . 30 THR N . 27557 2 112 . 1 1 35 35 LEU H H 1 8.251 0.02 . 1 . . . . . 31 LEU H . 27557 2 113 . 1 1 35 35 LEU C C 13 180.495 0.3 . 1 . . . . . 31 LEU C . 27557 2 114 . 1 1 35 35 LEU CA C 13 57.961 0.3 . 1 . . . . . 31 LEU CA . 27557 2 115 . 1 1 35 35 LEU CB C 13 41.582 0.3 . 1 . . . . . 31 LEU CB . 27557 2 116 . 1 1 35 35 LEU N N 15 122.968 0.3 . 1 . . . . . 31 LEU N . 27557 2 117 . 1 1 36 36 ALA H H 1 7.914 0.02 . 1 . . . . . 32 ALA H . 27557 2 118 . 1 1 36 36 ALA C C 13 179.404 0.3 . 1 . . . . . 32 ALA C . 27557 2 119 . 1 1 36 36 ALA CA C 13 56.164 0.3 . 1 . . . . . 32 ALA CA . 27557 2 120 . 1 1 36 36 ALA CB C 13 20.418 0.3 . 1 . . . . . 32 ALA CB . 27557 2 121 . 1 1 36 36 ALA N N 15 123.537 0.3 . 1 . . . . . 32 ALA N . 27557 2 122 . 1 1 37 37 VAL H H 1 7.916 0.02 . 1 . . . . . 33 VAL H . 27557 2 123 . 1 1 37 37 VAL C C 13 177.734 0.3 . 1 . . . . . 33 VAL C . 27557 2 124 . 1 1 37 37 VAL CA C 13 68.118 0.3 . 1 . . . . . 33 VAL CA . 27557 2 125 . 1 1 37 37 VAL CB C 13 28.853 0.3 . 1 . . . . . 33 VAL CB . 27557 2 126 . 1 1 37 37 VAL N N 15 117.297 0.3 . 1 . . . . . 33 VAL N . 27557 2 127 . 1 1 38 38 GLU H H 1 8.127 0.02 . 1 . . . . . 34 GLU H . 27557 2 128 . 1 1 38 38 GLU C C 13 177.959 0.3 . 1 . . . . . 34 GLU C . 27557 2 129 . 1 1 38 38 GLU CA C 13 59.912 0.3 . 1 . . . . . 34 GLU CA . 27557 2 130 . 1 1 38 38 GLU CB C 13 27.981 0.3 . 1 . . . . . 34 GLU CB . 27557 2 131 . 1 1 38 38 GLU N N 15 116.448 0.3 . 1 . . . . . 34 GLU N . 27557 2 132 . 1 1 39 39 THR H H 1 8.491 0.02 . 1 . . . . . 35 THR H . 27557 2 133 . 1 1 39 39 THR C C 13 176.597 0.3 . 1 . . . . . 35 THR C . 27557 2 134 . 1 1 39 39 THR CA C 13 67.181 0.3 . 1 . . . . . 35 THR CA . 27557 2 135 . 1 1 39 39 THR CB C 13 70.87 0.3 . 1 . . . . . 35 THR CB . 27557 2 136 . 1 1 39 39 THR N N 15 116.544 0.3 . 1 . . . . . 35 THR N . 27557 2 137 . 1 1 40 40 ALA H H 1 8.455 0.02 . 1 . . . . . 36 ALA H . 27557 2 138 . 1 1 40 40 ALA C C 13 179.683 0.3 . 1 . . . . . 36 ALA C . 27557 2 139 . 1 1 40 40 ALA CA C 13 56.2 0.3 . 1 . . . . . 36 ALA CA . 27557 2 140 . 1 1 40 40 ALA CB C 13 18.492 0.3 . 1 . . . . . 36 ALA CB . 27557 2 141 . 1 1 40 40 ALA N N 15 124.86 0.3 . 1 . . . . . 36 ALA N . 27557 2 142 . 1 1 41 41 LEU H H 1 8.365 0.02 . 1 . . . . . 37 LEU H . 27557 2 143 . 1 1 41 41 LEU C C 13 181.447 0.3 . 1 . . . . . 37 LEU C . 27557 2 144 . 1 1 41 41 LEU CA C 13 58.35 0.3 . 1 . . . . . 37 LEU CA . 27557 2 145 . 1 1 41 41 LEU CB C 13 40.912 0.3 . 1 . . . . . 37 LEU CB . 27557 2 146 . 1 1 41 41 LEU N N 15 115.931 0.3 . 1 . . . . . 37 LEU N . 27557 2 147 . 1 1 42 42 SER H H 1 8.164 0.02 . 1 . . . . . 38 SER H . 27557 2 148 . 1 1 42 42 SER C C 13 174.949 0.3 . 1 . . . . . 38 SER C . 27557 2 149 . 1 1 42 42 SER CA C 13 62.155 0.3 . 1 . . . . . 38 SER CA . 27557 2 150 . 1 1 42 42 SER CB C 13 63.288 0.3 . 1 . . . . . 38 SER CB . 27557 2 151 . 1 1 42 42 SER N N 15 116.717 0.3 . 1 . . . . . 38 SER N . 27557 2 152 . 1 1 43 43 LYS H H 1 7.287 0.02 . 1 . . . . . 39 LYS H . 27557 2 153 . 1 1 43 43 LYS C C 13 176.805 0.3 . 1 . . . . . 39 LYS C . 27557 2 154 . 1 1 43 43 LYS CA C 13 56.079 0.3 . 1 . . . . . 39 LYS CA . 27557 2 155 . 1 1 43 43 LYS CB C 13 32.639 0.3 . 1 . . . . . 39 LYS CB . 27557 2 156 . 1 1 43 43 LYS N N 15 119.793 0.3 . 1 . . . . . 39 LYS N . 27557 2 157 . 1 1 44 44 GLY H H 1 7.969 0.02 . 1 . . . . . 40 GLY H . 27557 2 158 . 1 1 44 44 GLY C C 13 174.415 0.3 . 1 . . . . . 40 GLY C . 27557 2 159 . 1 1 44 44 GLY CA C 13 46.083 0.3 . 1 . . . . . 40 GLY CA . 27557 2 160 . 1 1 44 44 GLY N N 15 107.677 0.3 . 1 . . . . . 40 GLY N . 27557 2 161 . 1 1 45 45 GLU H H 1 7.749 0.02 . 1 . . . . . 41 GLU H . 27557 2 162 . 1 1 45 45 GLU C C 13 174.114 0.3 . 1 . . . . . 41 GLU C . 27557 2 163 . 1 1 45 45 GLU CA C 13 54.732 0.3 . 1 . . . . . 41 GLU CA . 27557 2 164 . 1 1 45 45 GLU CB C 13 30.381 0.3 . 1 . . . . . 41 GLU CB . 27557 2 165 . 1 1 45 45 GLU N N 15 119.498 0.3 . 1 . . . . . 41 GLU N . 27557 2 166 . 1 1 46 46 SER H H 1 8.186 0.02 . 1 . . . . . 42 SER H . 27557 2 167 . 1 1 46 46 SER C C 13 177.776 0.3 . 1 . . . . . 42 SER C . 27557 2 168 . 1 1 46 46 SER CA C 13 57.47 0.3 . 1 . . . . . 42 SER CA . 27557 2 169 . 1 1 46 46 SER CB C 13 63.436 0.3 . 1 . . . . . 42 SER CB . 27557 2 170 . 1 1 46 46 SER N N 15 114.038 0.3 . 1 . . . . . 42 SER N . 27557 2 171 . 1 1 47 47 VAL H H 1 8.797 0.02 . 1 . . . . . 43 VAL H . 27557 2 172 . 1 1 47 47 VAL C C 13 174.038 0.3 . 1 . . . . . 43 VAL C . 27557 2 173 . 1 1 47 47 VAL CA C 13 61.701 0.3 . 1 . . . . . 43 VAL CA . 27557 2 174 . 1 1 47 47 VAL CB C 13 35.429 0.3 . 1 . . . . . 43 VAL CB . 27557 2 175 . 1 1 47 47 VAL N N 15 120.1 0.3 . 1 . . . . . 43 VAL N . 27557 2 176 . 1 1 48 48 GLU H H 1 8.862 0.02 . 1 . . . . . 44 GLU H . 27557 2 177 . 1 1 48 48 GLU C C 13 173.632 0.3 . 1 . . . . . 44 GLU C . 27557 2 178 . 1 1 48 48 GLU CA C 13 54.602 0.3 . 1 . . . . . 44 GLU CA . 27557 2 179 . 1 1 48 48 GLU CB C 13 29.985 0.3 . 1 . . . . . 44 GLU CB . 27557 2 180 . 1 1 48 48 GLU N N 15 128.28 0.3 . 1 . . . . . 44 GLU N . 27557 2 181 . 1 1 49 49 LEU H H 1 8.734 0.02 . 1 . . . . . 45 LEU H . 27557 2 182 . 1 1 49 49 LEU C C 13 175.831 0.3 . 1 . . . . . 45 LEU C . 27557 2 183 . 1 1 49 49 LEU CA C 13 52.983 0.3 . 1 . . . . . 45 LEU CA . 27557 2 184 . 1 1 49 49 LEU CB C 13 42.102 0.3 . 1 . . . . . 45 LEU CB . 27557 2 185 . 1 1 49 49 LEU N N 15 130.958 0.3 . 1 . . . . . 45 LEU N . 27557 2 186 . 1 1 50 50 ILE H H 1 8.618 0.02 . 1 . . . . . 46 ILE H . 27557 2 187 . 1 1 50 50 ILE C C 13 177.409 0.3 . 1 . . . . . 46 ILE C . 27557 2 188 . 1 1 50 50 ILE CA C 13 64.171 0.3 . 1 . . . . . 46 ILE CA . 27557 2 189 . 1 1 50 50 ILE CB C 13 37.493 0.3 . 1 . . . . . 46 ILE CB . 27557 2 190 . 1 1 50 50 ILE N N 15 126.165 0.3 . 1 . . . . . 46 ILE N . 27557 2 191 . 1 1 51 51 GLY H H 1 8.939 0.02 . 1 . . . . . 47 GLY H . 27557 2 192 . 1 1 51 51 GLY C C 13 173.255 0.3 . 1 . . . . . 47 GLY C . 27557 2 193 . 1 1 51 51 GLY CA C 13 46.651 0.3 . 1 . . . . . 47 GLY CA . 27557 2 194 . 1 1 51 51 GLY N N 15 119.777 0.3 . 1 . . . . . 47 GLY N . 27557 2 195 . 1 1 52 52 PHE H H 1 8.301 0.02 . 1 . . . . . 48 PHE H . 27557 2 196 . 1 1 52 52 PHE C C 13 175.227 0.3 . 1 . . . . . 48 PHE C . 27557 2 197 . 1 1 52 52 PHE CA C 13 60.679 0.3 . 1 . . . . . 48 PHE CA . 27557 2 198 . 1 1 52 52 PHE CB C 13 38.534 0.3 . 1 . . . . . 48 PHE CB . 27557 2 199 . 1 1 52 52 PHE N N 15 123.616 0.3 . 1 . . . . . 48 PHE N . 27557 2 200 . 1 1 53 53 GLY H H 1 8.855 0.02 . 1 . . . . . 49 GLY H . 27557 2 201 . 1 1 53 53 GLY C C 13 169.878 0.3 . 1 . . . . . 49 GLY C . 27557 2 202 . 1 1 53 53 GLY CA C 13 45.941 0.3 . 1 . . . . . 49 GLY CA . 27557 2 203 . 1 1 53 53 GLY N N 15 106.073 0.3 . 1 . . . . . 49 GLY N . 27557 2 204 . 1 1 54 54 LYS H H 1 7.563 0.02 . 1 . . . . . 50 LYS H . 27557 2 205 . 1 1 54 54 LYS C C 13 176.132 0.3 . 1 . . . . . 50 LYS C . 27557 2 206 . 1 1 54 54 LYS CA C 13 53.473 0.3 . 1 . . . . . 50 LYS CA . 27557 2 207 . 1 1 54 54 LYS CB C 13 37.289 0.3 . 1 . . . . . 50 LYS CB . 27557 2 208 . 1 1 54 54 LYS N N 15 118.569 0.3 . 1 . . . . . 50 LYS N . 27557 2 209 . 1 1 55 55 PHE H H 1 9.216 0.02 . 1 . . . . . 51 PHE H . 27557 2 210 . 1 1 55 55 PHE C C 13 174.438 0.3 . 1 . . . . . 51 PHE C . 27557 2 211 . 1 1 55 55 PHE CA C 13 57.498 0.3 . 1 . . . . . 51 PHE CA . 27557 2 212 . 1 1 55 55 PHE CB C 13 41.938 0.3 . 1 . . . . . 51 PHE CB . 27557 2 213 . 1 1 55 55 PHE N N 15 123.94 0.3 . 1 . . . . . 51 PHE N . 27557 2 214 . 1 1 56 56 GLU H H 1 9.325 0.02 . 1 . . . . . 52 GLU H . 27557 2 215 . 1 1 56 56 GLU C C 13 173.394 0.3 . 1 . . . . . 52 GLU C . 27557 2 216 . 1 1 56 56 GLU CA C 13 54.066 0.3 . 1 . . . . . 52 GLU CA . 27557 2 217 . 1 1 56 56 GLU CB C 13 26.714 0.3 . 1 . . . . . 52 GLU CB . 27557 2 218 . 1 1 56 56 GLU N N 15 119.523 0.3 . 1 . . . . . 52 GLU N . 27557 2 219 . 1 1 57 57 THR H H 1 8.238 0.02 . 1 . . . . . 53 THR H . 27557 2 220 . 1 1 57 57 THR C C 13 174.531 0.3 . 1 . . . . . 53 THR C . 27557 2 221 . 1 1 57 57 THR CA C 13 55.976 0.3 . 1 . . . . . 53 THR CA . 27557 2 222 . 1 1 57 57 THR CB C 13 66.781 0.3 . 1 . . . . . 53 THR CB . 27557 2 223 . 1 1 57 57 THR N N 15 110.294 0.3 . 1 . . . . . 53 THR N . 27557 2 224 . 1 1 58 58 ALA H H 1 9.01 0.02 . 1 . . . . . 54 ALA H . 27557 2 225 . 1 1 58 58 ALA C C 13 176.83 0.3 . 1 . . . . . 54 ALA C . 27557 2 226 . 1 1 58 58 ALA CA C 13 52.911 0.3 . 1 . . . . . 54 ALA CA . 27557 2 227 . 1 1 58 58 ALA N N 15 123.518 0.3 . 1 . . . . . 54 ALA N . 27557 2 228 . 1 1 59 59 GLU H H 1 8.468 0.02 . 1 . . . . . 55 GLU H . 27557 2 229 . 1 1 59 59 GLU C C 13 176.04 0.3 . 1 . . . . . 55 GLU C . 27557 2 230 . 1 1 59 59 GLU CA C 13 55.978 0.3 . 1 . . . . . 55 GLU CA . 27557 2 231 . 1 1 59 59 GLU CB C 13 29.39 0.3 . 1 . . . . . 55 GLU CB . 27557 2 232 . 1 1 59 59 GLU N N 15 120.063 0.3 . 1 . . . . . 55 GLU N . 27557 2 233 . 1 1 60 60 GLN H H 1 9.004 0.02 . 1 . . . . . 56 GLN H . 27557 2 234 . 1 1 60 60 GLN C C 13 175.204 0.3 . 1 . . . . . 56 GLN C . 27557 2 235 . 1 1 60 60 GLN CA C 13 55.177 0.3 . 1 . . . . . 56 GLN CA . 27557 2 236 . 1 1 60 60 GLN CB C 13 30.912 0.3 . 1 . . . . . 56 GLN CB . 27557 2 237 . 1 1 60 60 GLN N N 15 125.55 0.3 . 1 . . . . . 56 GLN N . 27557 2 238 . 1 1 61 61 LYS H H 1 8.512 0.02 . 1 . . . . . 57 LYS H . 27557 2 239 . 1 1 61 61 LYS C C 13 177.154 0.3 . 1 . . . . . 57 LYS C . 27557 2 240 . 1 1 61 61 LYS CA C 13 56.788 0.3 . 1 . . . . . 57 LYS CA . 27557 2 241 . 1 1 61 61 LYS CB C 13 32.905 0.3 . 1 . . . . . 57 LYS CB . 27557 2 242 . 1 1 61 61 LYS N N 15 125.611 0.3 . 1 . . . . . 57 LYS N . 27557 2 243 . 1 1 62 62 GLY H H 1 8.269 0.02 . 1 . . . . . 58 GLY H . 27557 2 244 . 1 1 62 62 GLY C C 13 173.533 0.3 . 1 . . . . . 58 GLY C . 27557 2 245 . 1 1 62 62 GLY CA C 13 45.146 0.3 . 1 . . . . . 58 GLY CA . 27557 2 246 . 1 1 62 62 GLY N N 15 110.599 0.3 . 1 . . . . . 58 GLY N . 27557 2 247 . 1 1 63 63 LYS H H 1 8.205 0.02 . 1 . . . . . 59 LYS H . 27557 2 248 . 1 1 63 63 LYS C C 13 175.905 0.3 . 1 . . . . . 59 LYS C . 27557 2 249 . 1 1 63 63 LYS CA C 13 56.291 0.3 . 1 . . . . . 59 LYS CA . 27557 2 250 . 1 1 63 63 LYS CB C 13 33.702 0.3 . 1 . . . . . 59 LYS CB . 27557 2 251 . 1 1 63 63 LYS N N 15 120.915 0.3 . 1 . . . . . 59 LYS N . 27557 2 252 . 1 1 64 64 GLU H H 1 8.343 0.02 . 1 . . . . . 60 GLU H . 27557 2 253 . 1 1 64 64 GLU C C 13 176.132 0.3 . 1 . . . . . 60 GLU C . 27557 2 254 . 1 1 64 64 GLU CA C 13 55.757 0.3 . 1 . . . . . 60 GLU CA . 27557 2 255 . 1 1 64 64 GLU CB C 13 29.39 0.3 . 1 . . . . . 60 GLU CB . 27557 2 256 . 1 1 64 64 GLU N N 15 121.429 0.3 . 1 . . . . . 60 GLU N . 27557 2 257 . 1 1 65 65 GLY H H 1 8.249 0.02 . 1 . . . . . 61 GLY H . 27557 2 258 . 1 1 65 65 GLY C C 13 173.162 0.3 . 1 . . . . . 61 GLY C . 27557 2 259 . 1 1 65 65 GLY CA C 13 45.061 0.3 . 1 . . . . . 61 GLY CA . 27557 2 260 . 1 1 65 65 GLY N N 15 110.415 0.3 . 1 . . . . . 61 GLY N . 27557 2 261 . 1 1 66 66 LYS H H 1 8.138 0.02 . 1 . . . . . 62 LYS H . 27557 2 262 . 1 1 66 66 LYS C C 13 176.62 0.3 . 1 . . . . . 62 LYS C . 27557 2 263 . 1 1 66 66 LYS CA C 13 56.244 0.3 . 1 . . . . . 62 LYS CA . 27557 2 264 . 1 1 66 66 LYS CB C 13 33.405 0.3 . 1 . . . . . 62 LYS CB . 27557 2 265 . 1 1 66 66 LYS N N 15 120.492 0.3 . 1 . . . . . 62 LYS N . 27557 2 266 . 1 1 67 67 VAL H H 1 8.188 0.02 . 1 . . . . . 63 VAL H . 27557 2 267 . 1 1 67 67 VAL CA C 13 60.119 0.3 . 1 . . . . . 63 VAL CA . 27557 2 268 . 1 1 67 67 VAL CB C 13 31.909 0.3 . 1 . . . . . 63 VAL CB . 27557 2 269 . 1 1 67 67 VAL N N 15 123.711 0.3 . 1 . . . . . 63 VAL N . 27557 2 270 . 1 1 68 68 PRO C C 13 177.734 0.3 . 1 . . . . . 64 PRO C . 27557 2 271 . 1 1 68 68 PRO CA C 13 64.086 0.3 . 1 . . . . . 64 PRO CA . 27557 2 272 . 1 1 69 69 GLY H H 1 8.514 0.02 . 1 . . . . . 65 GLY H . 27557 2 273 . 1 1 69 69 GLY C C 13 176.515 0.3 . 1 . . . . . 65 GLY C . 27557 2 274 . 1 1 69 69 GLY CA C 13 45.771 0.3 . 1 . . . . . 65 GLY CA . 27557 2 275 . 1 1 69 69 GLY N N 15 110.442 0.3 . 1 . . . . . 65 GLY N . 27557 2 276 . 1 1 70 70 SER H H 1 7.99 0.02 . 1 . . . . . 66 SER H . 27557 2 277 . 1 1 70 70 SER C C 13 174.369 0.3 . 1 . . . . . 66 SER C . 27557 2 278 . 1 1 70 70 SER CA C 13 58.116 0.3 . 1 . . . . . 66 SER CA . 27557 2 279 . 1 1 70 70 SER CB C 13 64.698 0.3 . 1 . . . . . 66 SER CB . 27557 2 280 . 1 1 70 70 SER N N 15 114.636 0.3 . 1 . . . . . 66 SER N . 27557 2 281 . 1 1 71 71 ASP H H 1 8.439 0.02 . 1 . . . . . 67 ASP H . 27557 2 282 . 1 1 71 71 ASP C C 13 175.297 0.3 . 1 . . . . . 67 ASP C . 27557 2 283 . 1 1 71 71 ASP CA C 13 53.069 0.3 . 1 . . . . . 67 ASP CA . 27557 2 284 . 1 1 71 71 ASP CB C 13 37.939 0.3 . 1 . . . . . 67 ASP CB . 27557 2 285 . 1 1 71 71 ASP N N 15 120.115 0.3 . 1 . . . . . 67 ASP N . 27557 2 286 . 1 1 72 72 LYS H H 1 8.124 0.02 . 1 . . . . . 68 LYS H . 27557 2 287 . 1 1 72 72 LYS C C 13 176.365 0.3 . 1 . . . . . 68 LYS C . 27557 2 288 . 1 1 72 72 LYS CA C 13 56.732 0.3 . 1 . . . . . 68 LYS CA . 27557 2 289 . 1 1 72 72 LYS CB C 13 33.171 0.3 . 1 . . . . . 68 LYS CB . 27557 2 290 . 1 1 72 72 LYS N N 15 120.591 0.3 . 1 . . . . . 68 LYS N . 27557 2 291 . 1 1 73 73 THR H H 1 7.922 0.02 . 1 . . . . . 69 THR H . 27557 2 292 . 1 1 73 73 THR C C 13 174.253 0.3 . 1 . . . . . 69 THR C . 27557 2 293 . 1 1 73 73 THR CA C 13 61.644 0.3 . 1 . . . . . 69 THR CA . 27557 2 294 . 1 1 73 73 THR CB C 13 70.765 0.3 . 1 . . . . . 69 THR CB . 27557 2 295 . 1 1 73 73 THR N N 15 113.773 0.3 . 1 . . . . . 69 THR N . 27557 2 296 . 1 1 74 74 TYR H H 1 8.138 0.02 . 1 . . . . . 70 TYR H . 27557 2 297 . 1 1 74 74 TYR C C 13 175.32 0.3 . 1 . . . . . 70 TYR C . 27557 2 298 . 1 1 74 74 TYR CA C 13 57.782 0.3 . 1 . . . . . 70 TYR CA . 27557 2 299 . 1 1 74 74 TYR CB C 13 39.813 0.3 . 1 . . . . . 70 TYR CB . 27557 2 300 . 1 1 74 74 TYR N N 15 121.92 0.3 . 1 . . . . . 70 TYR N . 27557 2 301 . 1 1 75 75 LYS H H 1 8.223 0.02 . 1 . . . . . 71 LYS H . 27557 2 302 . 1 1 75 75 LYS C C 13 176.527 0.3 . 1 . . . . . 71 LYS C . 27557 2 303 . 1 1 75 75 LYS CA C 13 56.423 0.3 . 1 . . . . . 71 LYS CA . 27557 2 304 . 1 1 75 75 LYS CB C 13 33.479 0.3 . 1 . . . . . 71 LYS CB . 27557 2 305 . 1 1 75 75 LYS N N 15 122.345 0.3 . 1 . . . . . 71 LYS N . 27557 2 306 . 1 1 76 76 THR H H 1 8.131 0.02 . 1 . . . . . 72 THR H . 27557 2 307 . 1 1 76 76 THR C C 13 174.299 0.3 . 1 . . . . . 72 THR C . 27557 2 308 . 1 1 76 76 THR CA C 13 61.928 0.3 . 1 . . . . . 72 THR CA . 27557 2 309 . 1 1 76 76 THR CB C 13 70.366 0.3 . 1 . . . . . 72 THR CB . 27557 2 310 . 1 1 76 76 THR N N 15 115.476 0.3 . 1 . . . . . 72 THR N . 27557 2 311 . 1 1 77 77 GLU H H 1 8.262 0.02 . 1 . . . . . 73 GLU H . 27557 2 312 . 1 1 77 77 GLU C C 13 175.436 0.3 . 1 . . . . . 73 GLU C . 27557 2 313 . 1 1 77 77 GLU CA C 13 55.542 0.3 . 1 . . . . . 73 GLU CA . 27557 2 314 . 1 1 77 77 GLU CB C 13 29.465 0.3 . 1 . . . . . 73 GLU CB . 27557 2 315 . 1 1 77 77 GLU N N 15 121.828 0.3 . 1 . . . . . 73 GLU N . 27557 2 316 . 1 1 78 78 ASP H H 1 8.425 0.02 . 1 . . . . . 74 ASP H . 27557 2 317 . 1 1 78 78 ASP C C 13 174.533 0.3 . 1 . . . . . 74 ASP C . 27557 2 318 . 1 1 78 78 ASP CA C 13 53.154 0.3 . 1 . . . . . 74 ASP CA . 27557 2 319 . 1 1 78 78 ASP CB C 13 38.608 0.3 . 1 . . . . . 74 ASP CB . 27557 2 320 . 1 1 78 78 ASP N N 15 120.709 0.3 . 1 . . . . . 74 ASP N . 27557 2 321 . 1 1 79 79 LYS H H 1 8.389 0.02 . 1 . . . . . 75 LYS H . 27557 2 322 . 1 1 79 79 LYS C C 13 175.135 0.3 . 1 . . . . . 75 LYS C . 27557 2 323 . 1 1 79 79 LYS CA C 13 56.195 0.3 . 1 . . . . . 75 LYS CA . 27557 2 324 . 1 1 79 79 LYS CB C 13 32.513 0.3 . 1 . . . . . 75 LYS CB . 27557 2 325 . 1 1 79 79 LYS N N 15 121.448 0.3 . 1 . . . . . 75 LYS N . 27557 2 326 . 1 1 80 80 ARG H H 1 8.188 0.02 . 1 . . . . . 76 ARG H . 27557 2 327 . 1 1 80 80 ARG C C 13 175.636 0.3 . 1 . . . . . 76 ARG C . 27557 2 328 . 1 1 80 80 ARG CA C 13 56.528 0.3 . 1 . . . . . 76 ARG CA . 27557 2 329 . 1 1 80 80 ARG CB C 13 33.33 0.3 . 1 . . . . . 76 ARG CB . 27557 2 330 . 1 1 80 80 ARG N N 15 121.35 0.3 . 1 . . . . . 76 ARG N . 27557 2 331 . 1 1 81 81 VAL H H 1 7.907 0.02 . 1 . . . . . 77 VAL H . 27557 2 332 . 1 1 81 81 VAL CA C 13 59.349 0.3 . 1 . . . . . 77 VAL CA . 27557 2 333 . 1 1 81 81 VAL N N 15 120.797 0.3 . 1 . . . . . 77 VAL N . 27557 2 334 . 1 1 82 82 PRO C C 13 175.459 0.3 . 1 . . . . . 78 PRO C . 27557 2 335 . 1 1 82 82 PRO CA C 13 61.36 0.3 . 1 . . . . . 78 PRO CA . 27557 2 336 . 1 1 83 83 LYS H H 1 9.006 0.02 . 1 . . . . . 79 LYS H . 27557 2 337 . 1 1 83 83 LYS C C 13 173.696 0.3 . 1 . . . . . 79 LYS C . 27557 2 338 . 1 1 83 83 LYS CA C 13 55.624 0.3 . 1 . . . . . 79 LYS CA . 27557 2 339 . 1 1 83 83 LYS CB C 13 37.089 0.3 . 1 . . . . . 79 LYS CB . 27557 2 340 . 1 1 83 83 LYS N N 15 119.933 0.3 . 1 . . . . . 79 LYS N . 27557 2 341 . 1 1 84 84 PHE H H 1 8.693 0.02 . 1 . . . . . 80 PHE H . 27557 2 342 . 1 1 84 84 PHE C C 13 173.858 0.3 . 1 . . . . . 80 PHE C . 27557 2 343 . 1 1 84 84 PHE CA C 13 55.085 0.3 . 1 . . . . . 80 PHE CA . 27557 2 344 . 1 1 84 84 PHE CB C 13 43.143 0.3 . 1 . . . . . 80 PHE CB . 27557 2 345 . 1 1 84 84 PHE N N 15 122.642 0.3 . 1 . . . . . 80 PHE N . 27557 2 346 . 1 1 85 85 LYS H H 1 8.455 0.02 . 1 . . . . . 81 LYS H . 27557 2 347 . 1 1 85 85 LYS CA C 13 51.393 0.3 . 1 . . . . . 81 LYS CA . 27557 2 348 . 1 1 85 85 LYS N N 15 129.034 0.3 . 1 . . . . . 81 LYS N . 27557 2 349 . 1 1 86 86 PRO C C 13 175.367 0.3 . 1 . . . . . 82 PRO C . 27557 2 350 . 1 1 86 86 PRO CA C 13 63.234 0.3 . 1 . . . . . 82 PRO CA . 27557 2 351 . 1 1 87 87 GLY H H 1 8.146 0.02 . 1 . . . . . 83 GLY H . 27557 2 352 . 1 1 87 87 GLY C C 13 174.392 0.3 . 1 . . . . . 83 GLY C . 27557 2 353 . 1 1 87 87 GLY CA C 13 43.698 0.3 . 1 . . . . . 83 GLY CA . 27557 2 354 . 1 1 87 87 GLY N N 15 111.952 0.3 . 1 . . . . . 83 GLY N . 27557 2 355 . 1 1 88 88 LYS H H 1 8.46 0.02 . 1 . . . . . 84 LYS H . 27557 2 356 . 1 1 88 88 LYS C C 13 177.686 0.3 . 1 . . . . . 84 LYS C . 27557 2 357 . 1 1 88 88 LYS CA C 13 60.923 0.3 . 1 . . . . . 84 LYS CA . 27557 2 358 . 1 1 88 88 LYS CB C 13 32.374 0.3 . 1 . . . . . 84 LYS CB . 27557 2 359 . 1 1 88 88 LYS N N 15 118.542 0.3 . 1 . . . . . 84 LYS N . 27557 2 360 . 1 1 89 89 THR H H 1 8.312 0.02 . 1 . . . . . 85 THR H . 27557 2 361 . 1 1 89 89 THR C C 13 176.179 0.3 . 1 . . . . . 85 THR C . 27557 2 362 . 1 1 89 89 THR CA C 13 66.371 0.3 . 1 . . . . . 85 THR CA . 27557 2 363 . 1 1 89 89 THR CB C 13 68.108 0.3 . 1 . . . . . 85 THR CB . 27557 2 364 . 1 1 89 89 THR N N 15 119.468 0.3 . 1 . . . . . 85 THR N . 27557 2 365 . 1 1 90 90 LEU H H 1 7.408 0.02 . 1 . . . . . 86 LEU H . 27557 2 366 . 1 1 90 90 LEU C C 13 174.353 0.3 . 1 . . . . . 86 LEU C . 27557 2 367 . 1 1 90 90 LEU CA C 13 59.032 0.3 . 1 . . . . . 86 LEU CA . 27557 2 368 . 1 1 90 90 LEU CB C 13 47.751 0.3 . 1 . . . . . 86 LEU CB . 27557 2 369 . 1 1 90 90 LEU N N 15 121.882 0.3 . 1 . . . . . 86 LEU N . 27557 2 370 . 1 1 91 91 LYS H H 1 8.205 0.02 . 1 . . . . . 87 LYS H . 27557 2 371 . 1 1 91 91 LYS C C 13 178.894 0.3 . 1 . . . . . 87 LYS C . 27557 2 372 . 1 1 91 91 LYS CA C 13 61.36 0.3 . 1 . . . . . 87 LYS CA . 27557 2 373 . 1 1 91 91 LYS CB C 13 32.44 0.3 . 1 . . . . . 87 LYS CB . 27557 2 374 . 1 1 91 91 LYS N N 15 114.466 0.3 . 1 . . . . . 87 LYS N . 27557 2 375 . 1 1 92 92 GLN H H 1 7.986 0.02 . 1 . . . . . 88 GLN H . 27557 2 376 . 1 1 92 92 GLN C C 13 178.523 0.3 . 1 . . . . . 88 GLN C . 27557 2 377 . 1 1 92 92 GLN CA C 13 59.6 0.3 . 1 . . . . . 88 GLN CA . 27557 2 378 . 1 1 92 92 GLN CB C 13 28.796 0.3 . 1 . . . . . 88 GLN CB . 27557 2 379 . 1 1 92 92 GLN N N 15 119.577 0.3 . 1 . . . . . 88 GLN N . 27557 2 380 . 1 1 93 93 LYS H H 1 8.385 0.02 . 1 . . . . . 89 LYS H . 27557 2 381 . 1 1 93 93 LYS C C 13 179.288 0.3 . 1 . . . . . 89 LYS C . 27557 2 382 . 1 1 93 93 LYS CA C 13 58.918 0.3 . 1 . . . . . 89 LYS CA . 27557 2 383 . 1 1 93 93 LYS CB C 13 32.241 0.3 . 1 . . . . . 89 LYS CB . 27557 2 384 . 1 1 93 93 LYS N N 15 117.54 0.3 . 1 . . . . . 89 LYS N . 27557 2 385 . 1 1 94 94 VAL H H 1 7.597 0.02 . 1 . . . . . 90 VAL H . 27557 2 386 . 1 1 94 94 VAL C C 13 177.432 0.3 . 1 . . . . . 90 VAL C . 27557 2 387 . 1 1 94 94 VAL CA C 13 65.668 0.3 . 1 . . . . . 90 VAL CA . 27557 2 388 . 1 1 94 94 VAL CB C 13 32.438 0.3 . 1 . . . . . 90 VAL CB . 27557 2 389 . 1 1 94 94 VAL N N 15 115.079 0.3 . 1 . . . . . 90 VAL N . 27557 2 390 . 1 1 95 95 GLU H H 1 8.103 0.02 . 1 . . . . . 91 GLU H . 27557 2 391 . 1 1 95 95 GLU C C 13 178.267 0.3 . 1 . . . . . 91 GLU C . 27557 2 392 . 1 1 95 95 GLU CA C 13 58.452 0.3 . 1 . . . . . 91 GLU CA . 27557 2 393 . 1 1 95 95 GLU CB C 13 29.783 0.3 . 1 . . . . . 91 GLU CB . 27557 2 394 . 1 1 95 95 GLU N N 15 119.839 0.3 . 1 . . . . . 91 GLU N . 27557 2 395 . 1 1 96 96 GLU H H 1 8.112 0.02 . 1 . . . . . 92 GLU H . 27557 2 396 . 1 1 96 96 GLU C C 13 176.782 0.3 . 1 . . . . . 92 GLU C . 27557 2 397 . 1 1 96 96 GLU CA C 13 56.439 0.3 . 1 . . . . . 92 GLU CA . 27557 2 398 . 1 1 96 96 GLU CB C 13 28.571 0.3 . 1 . . . . . 92 GLU CB . 27557 2 399 . 1 1 96 96 GLU N N 15 118.248 0.3 . 1 . . . . . 92 GLU N . 27557 2 400 . 1 1 97 97 GLY H H 1 7.73 0.02 . 1 . . . . . 93 GLY H . 27557 2 401 . 1 1 97 97 GLY C C 13 173.742 0.3 . 1 . . . . . 93 GLY C . 27557 2 402 . 1 1 97 97 GLY CA C 13 45.703 0.3 . 1 . . . . . 93 GLY CA . 27557 2 403 . 1 1 97 97 GLY N N 15 108.013 0.3 . 1 . . . . . 93 GLY N . 27557 2 404 . 1 1 98 98 LYS H H 1 8.016 0.02 . 1 . . . . . 94 LYS H . 27557 2 405 . 1 1 98 98 LYS CA C 13 55.34 0.3 . 1 . . . . . 94 LYS CA . 27557 2 406 . 1 1 98 98 LYS N N 15 120.003 0.3 . 1 . . . . . 94 LYS N . 27557 2 stop_ save_