################################### # 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 18217 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details '13C chemical shifts should be adjusted by adding 2.8ppm.' _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' . . . 18217 1 2 '2D HNCO' . . . 18217 1 3 '3D HNCO' . . . 18217 1 4 '3D HNCA' . . . 18217 1 5 '3D HNCACB' . . . 18217 1 6 '3D 1H-15N NOESY' . . . 18217 1 7 '3D 13C-15N HSQC-NOESY-HSQC' . . . 18217 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 3 3 THR H H 1 7.939 0.01 . 1 . . . A 3 THR H . 18217 1 2 . 1 1 3 3 THR C C 13 171.57 0.1 . 1 . . . A 3 THR C . 18217 1 3 . 1 1 3 3 THR CA C 13 59.163 0.1 . 1 . . . A 3 THR CA . 18217 1 4 . 1 1 3 3 THR CB C 13 66.955 0.1 . 1 . . . A 3 THR CB . 18217 1 5 . 1 1 3 3 THR N N 15 113.537 0.1 . 1 . . . A 3 THR N . 18217 1 6 . 1 1 4 4 ASP H H 1 8.398 0.01 . 1 . . . A 4 ASP H . 18217 1 7 . 1 1 4 4 ASP HA H 1 4.638 0.01 . 1 . . . A 4 ASP HA . 18217 1 8 . 1 1 4 4 ASP C C 13 173.571 0.1 . 1 . . . A 4 ASP C . 18217 1 9 . 1 1 4 4 ASP CA C 13 51.553 0.1 . 1 . . . A 4 ASP CA . 18217 1 10 . 1 1 4 4 ASP CB C 13 38.343 0.1 . 1 . . . A 4 ASP CB . 18217 1 11 . 1 1 4 4 ASP N N 15 123.654 0.1 . 1 . . . A 4 ASP N . 18217 1 12 . 1 1 5 5 THR H H 1 7.989 0.01 . 1 . . . A 5 THR H . 18217 1 13 . 1 1 5 5 THR HA H 1 4.287 0.01 . 1 . . . A 5 THR HA . 18217 1 14 . 1 1 5 5 THR C C 13 172.51 0.1 . 1 . . . A 5 THR C . 18217 1 15 . 1 1 5 5 THR CA C 13 58.981 0.1 . 1 . . . A 5 THR CA . 18217 1 16 . 1 1 5 5 THR CB C 13 66.609 0.1 . 1 . . . A 5 THR CB . 18217 1 17 . 1 1 5 5 THR CG2 C 13 18.905 0.1 . 1 . . . A 5 THR CG2 . 18217 1 18 . 1 1 5 5 THR N N 15 113.744 0.1 . 1 . . . A 5 THR N . 18217 1 19 . 1 1 6 6 GLY H H 1 8.257 0.01 . 1 . . . A 6 GLY H . 18217 1 20 . 1 1 6 6 GLY HA2 H 1 3.93 0.01 . 2 . . . A 6 GLY HA2 . 18217 1 21 . 1 1 6 6 GLY HA3 H 1 3.93 0.01 . 2 . . . A 6 GLY HA3 . 18217 1 22 . 1 1 6 6 GLY C C 13 171.199 0.1 . 1 . . . A 6 GLY C . 18217 1 23 . 1 1 6 6 GLY CA C 13 42.276 0.1 . 1 . . . A 6 GLY CA . 18217 1 24 . 1 1 6 6 GLY N N 15 111.57 0.1 . 1 . . . A 6 GLY N . 18217 1 25 . 1 1 7 7 VAL H H 1 7.812 0.01 . 1 . . . A 7 VAL H . 18217 1 26 . 1 1 7 7 VAL HA H 1 3.95 0.01 . 1 . . . A 7 VAL HA . 18217 1 27 . 1 1 7 7 VAL HB H 1 2.008 0.01 . 1 . . . A 7 VAL HB . 18217 1 28 . 1 1 7 7 VAL HG11 H 1 0.868 0.01 . 2 . . . A 7 VAL HG11 . 18217 1 29 . 1 1 7 7 VAL HG12 H 1 0.868 0.01 . 2 . . . A 7 VAL HG12 . 18217 1 30 . 1 1 7 7 VAL HG13 H 1 0.868 0.01 . 2 . . . A 7 VAL HG13 . 18217 1 31 . 1 1 7 7 VAL HG21 H 1 0.868 0.01 . 2 . . . A 7 VAL HG21 . 18217 1 32 . 1 1 7 7 VAL HG22 H 1 0.868 0.01 . 2 . . . A 7 VAL HG22 . 18217 1 33 . 1 1 7 7 VAL HG23 H 1 0.868 0.01 . 2 . . . A 7 VAL HG23 . 18217 1 34 . 1 1 7 7 VAL C C 13 172.797 0.1 . 1 . . . A 7 VAL C . 18217 1 35 . 1 1 7 7 VAL CA C 13 59.257 0.1 . 1 . . . A 7 VAL CA . 18217 1 36 . 1 1 7 7 VAL CB C 13 30.196 0.1 . 1 . . . A 7 VAL CB . 18217 1 37 . 1 1 7 7 VAL CG1 C 13 17.558 0.1 . 2 . . . A 7 VAL CG1 . 18217 1 38 . 1 1 7 7 VAL CG2 C 13 15.634 0.1 . 2 . . . A 7 VAL CG2 . 18217 1 39 . 1 1 7 7 VAL N N 15 119.651 0.1 . 1 . . . A 7 VAL N . 18217 1 40 . 1 1 8 8 SER H H 1 8.267 0.01 . 1 . . . A 8 SER H . 18217 1 41 . 1 1 8 8 SER HA H 1 4.151 0.01 . 1 . . . A 8 SER HA . 18217 1 42 . 1 1 8 8 SER C C 13 171.074 0.1 . 1 . . . A 8 SER C . 18217 1 43 . 1 1 8 8 SER CA C 13 55.087 0.1 . 1 . . . A 8 SER CA . 18217 1 44 . 1 1 8 8 SER CB C 13 60.773 0.1 . 1 . . . A 8 SER CB . 18217 1 45 . 1 1 8 8 SER N N 15 120.56 0.1 . 1 . . . A 8 SER N . 18217 1 46 . 1 1 9 9 LEU H H 1 8.369 0.01 . 1 . . . A 9 LEU H . 18217 1 47 . 1 1 9 9 LEU HA H 1 4.497 0.01 . 1 . . . A 9 LEU HA . 18217 1 48 . 1 1 9 9 LEU HB2 H 1 1.571 0.01 . 2 . . . A 9 LEU HB2 . 18217 1 49 . 1 1 9 9 LEU HB3 H 1 1.571 0.01 . 2 . . . A 9 LEU HB3 . 18217 1 50 . 1 1 9 9 LEU C C 13 178.103 0.1 . 1 . . . A 9 LEU C . 18217 1 51 . 1 1 9 9 LEU CA C 13 51.037 0.1 . 1 . . . A 9 LEU CA . 18217 1 52 . 1 1 9 9 LEU N N 15 125.203 0.1 . 1 . . . A 9 LEU N . 18217 1 53 . 1 1 11 11 SER H H 1 8.137 0.01 . 1 . . . A 11 SER H . 18217 1 54 . 1 1 11 11 SER HA H 1 4.368 0.01 . 1 . . . A 11 SER HA . 18217 1 55 . 1 1 11 11 SER C C 13 171.547 0.1 . 1 . . . A 11 SER C . 18217 1 56 . 1 1 11 11 SER CA C 13 56.798 0.1 . 1 . . . A 11 SER CA . 18217 1 57 . 1 1 11 11 SER CB C 13 61.173 0.1 . 1 . . . A 11 SER CB . 18217 1 58 . 1 1 11 11 SER N N 15 116.191 0.1 . 1 . . . A 11 SER N . 18217 1 59 . 1 1 13 13 GLU H H 1 8.175 0.01 . 1 . . . A 13 GLU H . 18217 1 60 . 1 1 13 13 GLU C C 13 175.685 0.1 . 1 . . . A 13 GLU C . 18217 1 61 . 1 1 13 13 GLU CA C 13 54.767 0.1 . 1 . . . A 13 GLU CA . 18217 1 62 . 1 1 13 13 GLU CB C 13 24.848 0.1 . 1 . . . A 13 GLU CB . 18217 1 63 . 1 1 13 13 GLU N N 15 119.076 0.1 . 1 . . . A 13 GLU N . 18217 1 64 . 1 1 17 17 GLY H H 1 8.465 0.01 . 1 . . . A 17 GLY H . 18217 1 65 . 1 1 17 17 GLY HA2 H 1 3.875 0.01 . 2 . . . A 17 GLY HA2 . 18217 1 66 . 1 1 17 17 GLY HA3 H 1 3.875 0.01 . 2 . . . A 17 GLY HA3 . 18217 1 67 . 1 1 17 17 GLY C C 13 172.237 0.1 . 1 . . . A 17 GLY C . 18217 1 68 . 1 1 17 17 GLY CA C 13 44.087 0.1 . 1 . . . A 17 GLY CA . 18217 1 69 . 1 1 17 17 GLY N N 15 107.976 0.1 . 1 . . . A 17 GLY N . 18217 1 70 . 1 1 18 18 SER H H 1 8.171 0.01 . 1 . . . A 18 SER H . 18217 1 71 . 1 1 18 18 SER HA H 1 4.196 0.01 . 1 . . . A 18 SER HA . 18217 1 72 . 1 1 18 18 SER C C 13 170.614 0.1 . 1 . . . A 18 SER C . 18217 1 73 . 1 1 18 18 SER CA C 13 58.101 0.1 . 1 . . . A 18 SER CA . 18217 1 74 . 1 1 18 18 SER CB C 13 60.283 0.1 . 1 . . . A 18 SER CB . 18217 1 75 . 1 1 18 18 SER N N 15 116.743 0.1 . 1 . . . A 18 SER N . 18217 1 76 . 1 1 20 20 LEU H H 1 7.875 0.01 . 1 . . . A 20 LEU H . 18217 1 77 . 1 1 20 20 LEU C C 13 175.66 0.1 . 1 . . . A 20 LEU C . 18217 1 78 . 1 1 20 20 LEU CA C 13 54.767 0.1 . 1 . . . A 20 LEU CA . 18217 1 79 . 1 1 20 20 LEU CB C 13 39.241 0.1 . 1 . . . A 20 LEU CB . 18217 1 80 . 1 1 20 20 LEU N N 15 120.65 0.1 . 1 . . . A 20 LEU N . 18217 1 81 . 1 1 21 21 ILE H H 1 7.918 0.01 . 1 . . . A 21 ILE H . 18217 1 82 . 1 1 21 21 ILE C C 13 174.739 0.1 . 1 . . . A 21 ILE C . 18217 1 83 . 1 1 21 21 ILE CA C 13 61.345 0.1 . 1 . . . A 21 ILE CA . 18217 1 84 . 1 1 21 21 ILE CB C 13 34.751 0.1 . 1 . . . A 21 ILE CB . 18217 1 85 . 1 1 21 21 ILE N N 15 118.719 0.1 . 1 . . . A 21 ILE N . 18217 1 86 . 1 1 22 22 ARG H H 1 7.718 0.01 . 1 . . . A 22 ARG H . 18217 1 87 . 1 1 22 22 ARG HA H 1 3.952 0.01 . 1 . . . A 22 ARG HA . 18217 1 88 . 1 1 22 22 ARG HB2 H 1 1.872 0.01 . 2 . . . A 22 ARG HB2 . 18217 1 89 . 1 1 22 22 ARG HB3 H 1 1.872 0.01 . 2 . . . A 22 ARG HB3 . 18217 1 90 . 1 1 22 22 ARG C C 13 176.041 0.1 . 1 . . . A 22 ARG C . 18217 1 91 . 1 1 22 22 ARG CA C 13 56.525 0.1 . 1 . . . A 22 ARG CA . 18217 1 92 . 1 1 22 22 ARG CB C 13 26.136 0.1 . 1 . . . A 22 ARG CB . 18217 1 93 . 1 1 22 22 ARG N N 15 119.064 0.1 . 1 . . . A 22 ARG N . 18217 1 94 . 1 1 24 24 ALA H H 1 7.485 0.01 . 1 . . . A 24 ALA H . 18217 1 95 . 1 1 24 24 ALA HB1 H 1 1.228 0.01 . 1 . . . A 24 ALA HB1 . 18217 1 96 . 1 1 24 24 ALA HB2 H 1 1.228 0.01 . 1 . . . A 24 ALA HB2 . 18217 1 97 . 1 1 24 24 ALA HB3 H 1 1.228 0.01 . 1 . . . A 24 ALA HB3 . 18217 1 98 . 1 1 24 24 ALA C C 13 173.303 0.1 . 1 . . . A 24 ALA C . 18217 1 99 . 1 1 24 24 ALA CA C 13 47.884 0.1 . 1 . . . A 24 ALA CA . 18217 1 100 . 1 1 24 24 ALA CB C 13 15.313 0.1 . 1 . . . A 24 ALA CB . 18217 1 101 . 1 1 24 24 ALA N N 15 124.725 0.1 . 1 . . . A 24 ALA N . 18217 1 102 . 1 1 29 29 PHE H H 1 8.155 0.01 . 1 . . . A 29 PHE H . 18217 1 103 . 1 1 29 29 PHE HA H 1 4.316 0.01 . 1 . . . A 29 PHE HA . 18217 1 104 . 1 1 29 29 PHE HB2 H 1 2.987 0.01 . 2 . . . A 29 PHE HB2 . 18217 1 105 . 1 1 29 29 PHE HB3 H 1 2.987 0.01 . 2 . . . A 29 PHE HB3 . 18217 1 106 . 1 1 29 29 PHE C C 13 173.309 0.1 . 1 . . . A 29 PHE C . 18217 1 107 . 1 1 29 29 PHE CA C 13 56.646 0.1 . 1 . . . A 29 PHE CA . 18217 1 108 . 1 1 29 29 PHE CB C 13 35.97 0.1 . 1 . . . A 29 PHE CB . 18217 1 109 . 1 1 29 29 PHE N N 15 122.535 0.1 . 1 . . . A 29 PHE N . 18217 1 110 . 1 1 30 30 VAL H H 1 7.676 0.01 . 1 . . . A 30 VAL H . 18217 1 111 . 1 1 30 30 VAL C C 13 172.935 0.1 . 1 . . . A 30 VAL C . 18217 1 112 . 1 1 30 30 VAL CB C 13 26.97 0.1 . 1 . . . A 30 VAL CB . 18217 1 113 . 1 1 30 30 VAL N N 15 118.906 0.1 . 1 . . . A 30 VAL N . 18217 1 114 . 1 1 32 32 VAL H H 1 7.651 0.01 . 1 . . . A 32 VAL H . 18217 1 115 . 1 1 32 32 VAL C C 13 174.458 0.1 . 1 . . . A 32 VAL C . 18217 1 116 . 1 1 32 32 VAL CA C 13 60.527 0.1 . 1 . . . A 32 VAL CA . 18217 1 117 . 1 1 32 32 VAL CB C 13 29.298 0.1 . 1 . . . A 32 VAL CB . 18217 1 118 . 1 1 32 32 VAL CG1 C 13 18.713 0.1 . 2 . . . A 32 VAL CG1 . 18217 1 119 . 1 1 32 32 VAL CG2 C 13 17.943 0.1 . 2 . . . A 32 VAL CG2 . 18217 1 120 . 1 1 32 32 VAL N N 15 118.717 0.1 . 1 . . . A 32 VAL N . 18217 1 121 . 1 1 33 33 GLY H H 1 8.28 0.01 . 1 . . . A 33 GLY H . 18217 1 122 . 1 1 33 33 GLY C C 13 172.161 0.1 . 1 . . . A 33 GLY C . 18217 1 123 . 1 1 33 33 GLY CA C 13 42.882 0.1 . 1 . . . A 33 GLY CA . 18217 1 124 . 1 1 33 33 GLY N N 15 110.345 0.1 . 1 . . . A 33 GLY N . 18217 1 125 . 1 1 34 34 ILE H H 1 8.186 0.01 . 1 . . . A 34 ILE H . 18217 1 126 . 1 1 34 34 ILE C C 13 172.023 0.1 . 1 . . . A 34 ILE C . 18217 1 127 . 1 1 34 34 ILE CB C 13 35.007 0.1 . 1 . . . A 34 ILE CB . 18217 1 128 . 1 1 34 34 ILE N N 15 120.401 0.1 . 1 . . . A 34 ILE N . 18217 1 129 . 1 1 35 35 ALA H H 1 8.303 0.01 . 1 . . . A 35 ALA H . 18217 1 130 . 1 1 35 35 ALA HA H 1 3.791 0.01 . 1 . . . A 35 ALA HA . 18217 1 131 . 1 1 35 35 ALA HB1 H 1 1.346 0.01 . 1 . . . A 35 ALA HB1 . 18217 1 132 . 1 1 35 35 ALA HB2 H 1 1.346 0.01 . 1 . . . A 35 ALA HB2 . 18217 1 133 . 1 1 35 35 ALA HB3 H 1 1.346 0.01 . 1 . . . A 35 ALA HB3 . 18217 1 134 . 1 1 35 35 ALA C C 13 177.792 0.1 . 1 . . . A 35 ALA C . 18217 1 135 . 1 1 35 35 ALA CA C 13 51.553 0.1 . 1 . . . A 35 ALA CA . 18217 1 136 . 1 1 35 35 ALA CB C 13 15.441 0.1 . 1 . . . A 35 ALA CB . 18217 1 137 . 1 1 35 35 ALA N N 15 124.525 0.1 . 1 . . . A 35 ALA N . 18217 1 138 . 1 1 36 36 GLY H H 1 8.216 0.01 . 1 . . . A 36 GLY H . 18217 1 139 . 1 1 36 36 GLY C C 13 173.045 0.1 . 1 . . . A 36 GLY C . 18217 1 140 . 1 1 36 36 GLY CA C 13 43.657 0.1 . 1 . . . A 36 GLY CA . 18217 1 141 . 1 1 36 36 GLY N N 15 107.031 0.1 . 1 . . . A 36 GLY N . 18217 1 142 . 1 1 37 37 PHE H H 1 8.136 0.01 . 1 . . . A 37 PHE H . 18217 1 143 . 1 1 37 37 PHE HB2 H 1 3.169 0.01 . 2 . . . A 37 PHE HB2 . 18217 1 144 . 1 1 37 37 PHE HB3 H 1 3.169 0.01 . 2 . . . A 37 PHE HB3 . 18217 1 145 . 1 1 37 37 PHE C C 13 174.383 0.1 . 1 . . . A 37 PHE C . 18217 1 146 . 1 1 37 37 PHE CA C 13 58.192 0.1 . 1 . . . A 37 PHE CA . 18217 1 147 . 1 1 37 37 PHE CB C 13 36.162 0.1 . 1 . . . A 37 PHE CB . 18217 1 148 . 1 1 37 37 PHE N N 15 122.323 0.1 . 1 . . . A 37 PHE N . 18217 1 149 . 1 1 38 38 ALA H H 1 8.548 0.01 . 1 . . . A 38 ALA H . 18217 1 150 . 1 1 38 38 ALA HA H 1 3.855 0.01 . 1 . . . A 38 ALA HA . 18217 1 151 . 1 1 38 38 ALA HB1 H 1 1.507 0.01 . 1 . . . A 38 ALA HB1 . 18217 1 152 . 1 1 38 38 ALA HB2 H 1 1.507 0.01 . 1 . . . A 38 ALA HB2 . 18217 1 153 . 1 1 38 38 ALA HB3 H 1 1.507 0.01 . 1 . . . A 38 ALA HB3 . 18217 1 154 . 1 1 38 38 ALA C C 13 176.706 0.1 . 1 . . . A 38 ALA C . 18217 1 155 . 1 1 38 38 ALA CA C 13 52.614 0.1 . 1 . . . A 38 ALA CA . 18217 1 156 . 1 1 38 38 ALA CB C 13 15.249 0.1 . 1 . . . A 38 ALA CB . 18217 1 157 . 1 1 38 38 ALA N N 15 121.349 0.1 . 1 . . . A 38 ALA N . 18217 1 158 . 1 1 39 39 ALA H H 1 7.817 0.01 . 1 . . . A 39 ALA H . 18217 1 159 . 1 1 39 39 ALA HA H 1 4.123 0.01 . 1 . . . A 39 ALA HA . 18217 1 160 . 1 1 39 39 ALA HB1 H 1 1.507 0.01 . 1 . . . A 39 ALA HB1 . 18217 1 161 . 1 1 39 39 ALA HB2 H 1 1.507 0.01 . 1 . . . A 39 ALA HB2 . 18217 1 162 . 1 1 39 39 ALA HB3 H 1 1.507 0.01 . 1 . . . A 39 ALA HB3 . 18217 1 163 . 1 1 39 39 ALA CA C 13 51.826 0.1 . 1 . . . A 39 ALA CA . 18217 1 164 . 1 1 39 39 ALA CB C 13 14.864 0.1 . 1 . . . A 39 ALA CB . 18217 1 165 . 1 1 39 39 ALA N N 15 119.651 0.1 . 1 . . . A 39 ALA N . 18217 1 166 . 1 1 40 40 ILE H H 1 7.678 0.01 . 1 . . . A 40 ILE H . 18217 1 167 . 1 1 40 40 ILE C C 13 175.282 0.1 . 1 . . . A 40 ILE C . 18217 1 168 . 1 1 40 40 ILE CA C 13 61.558 0.1 . 1 . . . A 40 ILE CA . 18217 1 169 . 1 1 40 40 ILE CB C 13 35.264 0.1 . 1 . . . A 40 ILE CB . 18217 1 170 . 1 1 40 40 ILE CG2 C 13 15.056 0.1 . 1 . . . A 40 ILE CG2 . 18217 1 171 . 1 1 40 40 ILE CD1 C 13 10.566 0.1 . 1 . . . A 40 ILE CD1 . 18217 1 172 . 1 1 40 40 ILE N N 15 120.01 0.1 . 1 . . . A 40 ILE N . 18217 1 173 . 1 1 41 41 VAL H H 1 7.93 0.01 . 1 . . . A 41 VAL H . 18217 1 174 . 1 1 41 41 VAL HA H 1 3.469 0.01 . 1 . . . A 41 VAL HA . 18217 1 175 . 1 1 41 41 VAL HB H 1 2.022 0.01 . 1 . . . A 41 VAL HB . 18217 1 176 . 1 1 41 41 VAL HG11 H 1 0.703 0.01 . 2 . . . A 41 VAL HG11 . 18217 1 177 . 1 1 41 41 VAL HG12 H 1 0.703 0.01 . 2 . . . A 41 VAL HG12 . 18217 1 178 . 1 1 41 41 VAL HG13 H 1 0.703 0.01 . 2 . . . A 41 VAL HG13 . 18217 1 179 . 1 1 41 41 VAL HG21 H 1 0.81 0.01 . 2 . . . A 41 VAL HG21 . 18217 1 180 . 1 1 41 41 VAL HG22 H 1 0.81 0.01 . 2 . . . A 41 VAL HG22 . 18217 1 181 . 1 1 41 41 VAL HG23 H 1 0.81 0.01 . 2 . . . A 41 VAL HG23 . 18217 1 182 . 1 1 41 41 VAL C C 13 174.825 0.1 . 1 . . . A 41 VAL C . 18217 1 183 . 1 1 41 41 VAL CA C 13 63.741 0.1 . 1 . . . A 41 VAL CA . 18217 1 184 . 1 1 41 41 VAL CB C 13 29.49 0.1 . 1 . . . A 41 VAL CB . 18217 1 185 . 1 1 41 41 VAL CG2 C 13 19.226 0.1 . 2 . . . A 41 VAL CG2 . 18217 1 186 . 1 1 41 41 VAL N N 15 121.134 0.1 . 1 . . . A 41 VAL N . 18217 1 187 . 1 1 42 42 ALA H H 1 8.255 0.01 . 1 . . . A 42 ALA H . 18217 1 188 . 1 1 42 42 ALA HA H 1 3.949 0.01 . 1 . . . A 42 ALA HA . 18217 1 189 . 1 1 42 42 ALA HB1 H 1 1.493 0.01 . 1 . . . A 42 ALA HB1 . 18217 1 190 . 1 1 42 42 ALA HB2 H 1 1.493 0.01 . 1 . . . A 42 ALA HB2 . 18217 1 191 . 1 1 42 42 ALA HB3 H 1 1.493 0.01 . 1 . . . A 42 ALA HB3 . 18217 1 192 . 1 1 42 42 ALA C C 13 177.342 0.1 . 1 . . . A 42 ALA C . 18217 1 193 . 1 1 42 42 ALA CA C 13 52.371 0.1 . 1 . . . A 42 ALA CA . 18217 1 194 . 1 1 42 42 ALA CB C 13 15.185 0.1 . 1 . . . A 42 ALA CB . 18217 1 195 . 1 1 42 42 ALA N N 15 121.239 0.1 . 1 . . . A 42 ALA N . 18217 1 196 . 1 1 43 43 TYR H H 1 8.054 0.01 . 1 . . . A 43 TYR H . 18217 1 197 . 1 1 43 43 TYR HA H 1 4.303 0.01 . 1 . . . A 43 TYR HA . 18217 1 198 . 1 1 43 43 TYR HB2 H 1 3.177 0.01 . 2 . . . A 43 TYR HB2 . 18217 1 199 . 1 1 43 43 TYR HB3 H 1 3.177 0.01 . 2 . . . A 43 TYR HB3 . 18217 1 200 . 1 1 43 43 TYR CA C 13 58.253 0.1 . 1 . . . A 43 TYR CA . 18217 1 201 . 1 1 43 43 TYR N N 15 119.612 0.1 . 1 . . . A 43 TYR N . 18217 1 202 . 1 1 44 44 GLY H H 1 8.58 0.01 . 1 . . . A 44 GLY H . 18217 1 203 . 1 1 44 44 GLY HA2 H 1 3.604 0.01 . 2 . . . A 44 GLY HA2 . 18217 1 204 . 1 1 44 44 GLY HA3 H 1 3.604 0.01 . 2 . . . A 44 GLY HA3 . 18217 1 205 . 1 1 44 44 GLY C C 13 172.495 0.1 . 1 . . . A 44 GLY C . 18217 1 206 . 1 1 44 44 GLY CA C 13 44.669 0.1 . 1 . . . A 44 GLY CA . 18217 1 207 . 1 1 44 44 GLY N N 15 107.49 0.1 . 1 . . . A 44 GLY N . 18217 1 208 . 1 1 45 45 LEU H H 1 8.597 0.01 . 1 . . . A 45 LEU H . 18217 1 209 . 1 1 45 45 LEU HA H 1 3.995 0.01 . 1 . . . A 45 LEU HA . 18217 1 210 . 1 1 45 45 LEU HB2 H 1 1.818 0.01 . 2 . . . A 45 LEU HB2 . 18217 1 211 . 1 1 45 45 LEU HB3 H 1 1.818 0.01 . 2 . . . A 45 LEU HB3 . 18217 1 212 . 1 1 45 45 LEU HD11 H 1 0.842 0.01 . 2 . . . A 45 LEU HD11 . 18217 1 213 . 1 1 45 45 LEU HD12 H 1 0.842 0.01 . 2 . . . A 45 LEU HD12 . 18217 1 214 . 1 1 45 45 LEU HD13 H 1 0.842 0.01 . 2 . . . A 45 LEU HD13 . 18217 1 215 . 1 1 45 45 LEU HD21 H 1 0.842 0.01 . 2 . . . A 45 LEU HD21 . 18217 1 216 . 1 1 45 45 LEU HD22 H 1 0.842 0.01 . 2 . . . A 45 LEU HD22 . 18217 1 217 . 1 1 45 45 LEU HD23 H 1 0.842 0.01 . 2 . . . A 45 LEU HD23 . 18217 1 218 . 1 1 45 45 LEU C C 13 176.065 0.1 . 1 . . . A 45 LEU C . 18217 1 219 . 1 1 45 45 LEU CA C 13 54.948 0.1 . 1 . . . A 45 LEU CA . 18217 1 220 . 1 1 45 45 LEU CB C 13 39.306 0.1 . 1 . . . A 45 LEU CB . 18217 1 221 . 1 1 45 45 LEU N N 15 121.71 0.1 . 1 . . . A 45 LEU N . 18217 1 222 . 1 1 46 46 TYR H H 1 8.083 0.01 . 1 . . . A 46 TYR H . 18217 1 223 . 1 1 46 46 TYR HB2 H 1 3.158 0.01 . 2 . . . A 46 TYR HB2 . 18217 1 224 . 1 1 46 46 TYR HB3 H 1 3.158 0.01 . 2 . . . A 46 TYR HB3 . 18217 1 225 . 1 1 46 46 TYR CA C 13 57.91 0.1 . 1 . . . A 46 TYR CA . 18217 1 226 . 1 1 46 46 TYR CB C 13 35.136 0.1 . 1 . . . A 46 TYR CB . 18217 1 227 . 1 1 46 46 TYR N N 15 120.296 0.1 . 1 . . . A 46 TYR N . 18217 1 228 . 1 1 47 47 LYS H H 1 8.118 0.01 . 1 . . . A 47 LYS H . 18217 1 229 . 1 1 47 47 LYS C C 13 176.556 0.1 . 1 . . . A 47 LYS C . 18217 1 230 . 1 1 47 47 LYS CA C 13 54.554 0.1 . 1 . . . A 47 LYS CA . 18217 1 231 . 1 1 47 47 LYS CB C 13 29.362 0.1 . 1 . . . A 47 LYS CB . 18217 1 232 . 1 1 47 47 LYS N N 15 120.538 0.1 . 1 . . . A 47 LYS N . 18217 1 233 . 1 1 48 48 LEU H H 1 8.09 0.01 . 1 . . . A 48 LEU H . 18217 1 234 . 1 1 48 48 LEU C C 13 176.151 0.1 . 1 . . . A 48 LEU C . 18217 1 235 . 1 1 48 48 LEU CA C 13 55.279 0.1 . 1 . . . A 48 LEU CA . 18217 1 236 . 1 1 48 48 LEU CB C 13 39.241 0.1 . 1 . . . A 48 LEU CB . 18217 1 237 . 1 1 48 48 LEU N N 15 120.392 0.1 . 1 . . . A 48 LEU N . 18217 1 238 . 1 1 49 49 LYS H H 1 8.016 0.01 . 1 . . . A 49 LYS H . 18217 1 239 . 1 1 49 49 LYS HA H 1 3.995 0.01 . 1 . . . A 49 LYS HA . 18217 1 240 . 1 1 49 49 LYS HB2 H 1 1.829 0.01 . 2 . . . A 49 LYS HB2 . 18217 1 241 . 1 1 49 49 LYS HB3 H 1 1.829 0.01 . 2 . . . A 49 LYS HB3 . 18217 1 242 . 1 1 49 49 LYS C C 13 175.464 0.1 . 1 . . . A 49 LYS C . 18217 1 243 . 1 1 49 49 LYS CA C 13 55.434 0.1 . 1 . . . A 49 LYS CA . 18217 1 244 . 1 1 49 49 LYS CB C 13 29.49 0.1 . 1 . . . A 49 LYS CB . 18217 1 245 . 1 1 49 49 LYS N N 15 118.795 0.1 . 1 . . . A 49 LYS N . 18217 1 246 . 1 1 50 50 SER H H 1 7.709 0.01 . 1 . . . A 50 SER H . 18217 1 247 . 1 1 50 50 SER HA H 1 4.262 0.01 . 1 . . . A 50 SER HA . 18217 1 248 . 1 1 50 50 SER HB2 H 1 3.719 0.01 . 2 . . . A 50 SER HB2 . 18217 1 249 . 1 1 50 50 SER HB3 H 1 3.793 0.01 . 2 . . . A 50 SER HB3 . 18217 1 250 . 1 1 50 50 SER C C 13 172.273 0.1 . 1 . . . A 50 SER C . 18217 1 251 . 1 1 50 50 SER CA C 13 56.555 0.1 . 1 . . . A 50 SER CA . 18217 1 252 . 1 1 50 50 SER CB C 13 60.54 0.1 . 1 . . . A 50 SER CB . 18217 1 253 . 1 1 50 50 SER N N 15 114.169 0.1 . 1 . . . A 50 SER N . 18217 1 254 . 1 1 51 51 ARG H H 1 7.574 0.01 . 1 . . . A 51 ARG H . 18217 1 255 . 1 1 51 51 ARG HA H 1 4.27 0.01 . 1 . . . A 51 ARG HA . 18217 1 256 . 1 1 51 51 ARG C C 13 174.261 0.1 . 1 . . . A 51 ARG C . 18217 1 257 . 1 1 51 51 ARG CA C 13 53.493 0.1 . 1 . . . A 51 ARG CA . 18217 1 258 . 1 1 51 51 ARG CB C 13 27.566 0.1 . 1 . . . A 51 ARG CB . 18217 1 259 . 1 1 51 51 ARG N N 15 121.428 0.1 . 1 . . . A 51 ARG N . 18217 1 260 . 1 1 52 52 GLY H H 1 8.082 0.01 . 1 . . . A 52 GLY H . 18217 1 261 . 1 1 52 52 GLY HA2 H 1 3.916 0.01 . 2 . . . A 52 GLY HA2 . 18217 1 262 . 1 1 52 52 GLY HA3 H 1 3.916 0.01 . 2 . . . A 52 GLY HA3 . 18217 1 263 . 1 1 52 52 GLY C C 13 171.069 0.1 . 1 . . . A 52 GLY C . 18217 1 264 . 1 1 52 52 GLY CA C 13 42.594 0.1 . 1 . . . A 52 GLY CA . 18217 1 265 . 1 1 52 52 GLY N N 15 108.289 0.1 . 1 . . . A 52 GLY N . 18217 1 266 . 1 1 53 53 ASN H H 1 8.219 0.01 . 1 . . . A 53 ASN H . 18217 1 267 . 1 1 53 53 ASN HA H 1 4.738 0.01 . 1 . . . A 53 ASN HA . 18217 1 268 . 1 1 53 53 ASN HB2 H 1 2.791 0.01 . 2 . . . A 53 ASN HB2 . 18217 1 269 . 1 1 53 53 ASN HB3 H 1 2.791 0.01 . 2 . . . A 53 ASN HB3 . 18217 1 270 . 1 1 53 53 ASN C C 13 172.785 0.1 . 1 . . . A 53 ASN C . 18217 1 271 . 1 1 53 53 ASN CA C 13 50.401 0.1 . 1 . . . A 53 ASN CA . 18217 1 272 . 1 1 53 53 ASN CB C 13 36.162 0.1 . 1 . . . A 53 ASN CB . 18217 1 273 . 1 1 53 53 ASN N N 15 118.991 0.1 . 1 . . . A 53 ASN N . 18217 1 274 . 1 1 54 54 THR H H 1 8.059 0.01 . 1 . . . A 54 THR H . 18217 1 275 . 1 1 54 54 THR HA H 1 4.196 0.01 . 1 . . . A 54 THR HA . 18217 1 276 . 1 1 54 54 THR HG21 H 1 1.164 0.01 . 1 . . . A 54 THR HG21 . 18217 1 277 . 1 1 54 54 THR HG22 H 1 1.164 0.01 . 1 . . . A 54 THR HG22 . 18217 1 278 . 1 1 54 54 THR HG23 H 1 1.164 0.01 . 1 . . . A 54 THR HG23 . 18217 1 279 . 1 1 54 54 THR C C 13 171.744 0.1 . 1 . . . A 54 THR C . 18217 1 280 . 1 1 54 54 THR CA C 13 59.678 0.1 . 1 . . . A 54 THR CA . 18217 1 281 . 1 1 54 54 THR CB C 13 66.891 0.1 . 1 . . . A 54 THR CB . 18217 1 282 . 1 1 54 54 THR CG2 C 13 19.034 0.1 . 1 . . . A 54 THR CG2 . 18217 1 283 . 1 1 54 54 THR N N 15 115.734 0.1 . 1 . . . A 54 THR N . 18217 1 284 . 1 1 55 55 LYS H H 1 8.303 0.01 . 1 . . . A 55 LYS H . 18217 1 285 . 1 1 55 55 LYS HA H 1 4.22 0.01 . 1 . . . A 55 LYS HA . 18217 1 286 . 1 1 55 55 LYS HB2 H 1 1.786 0.01 . 2 . . . A 55 LYS HB2 . 18217 1 287 . 1 1 55 55 LYS HB3 H 1 1.786 0.01 . 2 . . . A 55 LYS HB3 . 18217 1 288 . 1 1 55 55 LYS C C 13 173.959 0.1 . 1 . . . A 55 LYS C . 18217 1 289 . 1 1 55 55 LYS CA C 13 54.253 0.1 . 1 . . . A 55 LYS CA . 18217 1 290 . 1 1 55 55 LYS CB C 13 29.875 0.1 . 1 . . . A 55 LYS CB . 18217 1 291 . 1 1 55 55 LYS N N 15 123.495 0.1 . 1 . . . A 55 LYS N . 18217 1 292 . 1 1 56 56 MET H H 1 8.209 0.01 . 1 . . . A 56 MET H . 18217 1 293 . 1 1 56 56 MET C C 13 173.045 0.1 . 1 . . . A 56 MET C . 18217 1 294 . 1 1 56 56 MET CA C 13 53.129 0.1 . 1 . . . A 56 MET CA . 18217 1 295 . 1 1 56 56 MET CB C 13 30.153 0.1 . 1 . . . A 56 MET CB . 18217 1 296 . 1 1 56 56 MET N N 15 121.473 0.1 . 1 . . . A 56 MET N . 18217 1 297 . 1 1 57 57 SER H H 1 7.974 0.01 . 1 . . . A 57 SER H . 18217 1 298 . 1 1 57 57 SER HA H 1 4.413 0.01 . 1 . . . A 57 SER HA . 18217 1 299 . 1 1 57 57 SER HB2 H 1 3.78 0.01 . 2 . . . A 57 SER HB2 . 18217 1 300 . 1 1 57 57 SER HB3 H 1 3.877 0.01 . 2 . . . A 57 SER HB3 . 18217 1 301 . 1 1 57 57 SER CA C 13 55.464 0.1 . 1 . . . A 57 SER CA . 18217 1 302 . 1 1 57 57 SER CB C 13 60.698 0.1 . 1 . . . A 57 SER CB . 18217 1 303 . 1 1 57 57 SER N N 15 116.897 0.1 . 1 . . . A 57 SER N . 18217 1 304 . 1 1 58 58 ILE H H 1 8.055 0.01 . 1 . . . A 58 ILE H . 18217 1 305 . 1 1 58 58 ILE C C 13 176.409 0.1 . 1 . . . A 58 ILE C . 18217 1 306 . 1 1 58 58 ILE CA C 13 61.181 0.1 . 1 . . . A 58 ILE CA . 18217 1 307 . 1 1 58 58 ILE CB C 13 35.97 0.1 . 1 . . . A 58 ILE CB . 18217 1 308 . 1 1 58 58 ILE N N 15 122.373 0.1 . 1 . . . A 58 ILE N . 18217 1 309 . 1 1 60 60 LEU H H 1 8.104 0.01 . 1 . . . A 60 LEU H . 18217 1 310 . 1 1 60 60 LEU C C 13 176.151 0.1 . 1 . . . A 60 LEU C . 18217 1 311 . 1 1 60 60 LEU CA C 13 55.646 0.1 . 1 . . . A 60 LEU CA . 18217 1 312 . 1 1 60 60 LEU CB C 13 39.37 0.1 . 1 . . . A 60 LEU CB . 18217 1 313 . 1 1 60 60 LEU N N 15 121.281 0.1 . 1 . . . A 60 LEU N . 18217 1 314 . 1 1 64 64 ARG H H 1 8.194 0.01 . 1 . . . A 64 ARG H . 18217 1 315 . 1 1 64 64 ARG HA H 1 4.241 0.01 . 1 . . . A 64 ARG HA . 18217 1 316 . 1 1 64 64 ARG HB2 H 1 1.99 0.01 . 2 . . . A 64 ARG HB2 . 18217 1 317 . 1 1 64 64 ARG HB3 H 1 1.99 0.01 . 2 . . . A 64 ARG HB3 . 18217 1 318 . 1 1 64 64 ARG CA C 13 53.227 0.1 . 1 . . . A 64 ARG CA . 18217 1 319 . 1 1 64 64 ARG CB C 13 29.555 0.1 . 1 . . . A 64 ARG CB . 18217 1 320 . 1 1 64 64 ARG N N 15 121.168 0.1 . 1 . . . A 64 ARG N . 18217 1 321 . 1 1 65 65 VAL H H 1 7.979 0.01 . 1 . . . A 65 VAL H . 18217 1 322 . 1 1 65 65 VAL HA H 1 3.877 0.01 . 1 . . . A 65 VAL HA . 18217 1 323 . 1 1 65 65 VAL HB H 1 2.086 0.01 . 1 . . . A 65 VAL HB . 18217 1 324 . 1 1 65 65 VAL HG11 H 1 0.928 0.01 . 2 . . . A 65 VAL HG11 . 18217 1 325 . 1 1 65 65 VAL HG12 H 1 0.928 0.01 . 2 . . . A 65 VAL HG12 . 18217 1 326 . 1 1 65 65 VAL HG13 H 1 0.928 0.01 . 2 . . . A 65 VAL HG13 . 18217 1 327 . 1 1 65 65 VAL HG21 H 1 0.982 0.01 . 2 . . . A 65 VAL HG21 . 18217 1 328 . 1 1 65 65 VAL HG22 H 1 0.982 0.01 . 2 . . . A 65 VAL HG22 . 18217 1 329 . 1 1 65 65 VAL HG23 H 1 0.982 0.01 . 2 . . . A 65 VAL HG23 . 18217 1 330 . 1 1 65 65 VAL C C 13 174.347 0.1 . 1 . . . A 65 VAL C . 18217 1 331 . 1 1 65 65 VAL CA C 13 62.015 0.1 . 1 . . . A 65 VAL CA . 18217 1 332 . 1 1 65 65 VAL CB C 13 29.362 0.1 . 1 . . . A 65 VAL CB . 18217 1 333 . 1 1 65 65 VAL CG1 C 13 19.419 0.1 . 2 . . . A 65 VAL CG1 . 18217 1 334 . 1 1 65 65 VAL CG2 C 13 18.585 0.1 . 2 . . . A 65 VAL CG2 . 18217 1 335 . 1 1 65 65 VAL N N 15 119.295 0.1 . 1 . . . A 65 VAL N . 18217 1 336 . 1 1 66 66 ALA H H 1 8.008 0.01 . 1 . . . A 66 ALA H . 18217 1 337 . 1 1 66 66 ALA HA H 1 4.22 0.01 . 1 . . . A 66 ALA HA . 18217 1 338 . 1 1 66 66 ALA HB1 H 1 1.421 0.01 . 1 . . . A 66 ALA HB1 . 18217 1 339 . 1 1 66 66 ALA HB2 H 1 1.421 0.01 . 1 . . . A 66 ALA HB2 . 18217 1 340 . 1 1 66 66 ALA HB3 H 1 1.421 0.01 . 1 . . . A 66 ALA HB3 . 18217 1 341 . 1 1 66 66 ALA C C 13 177.256 0.1 . 1 . . . A 66 ALA C . 18217 1 342 . 1 1 66 66 ALA CA C 13 50.825 0.1 . 1 . . . A 66 ALA CA . 18217 1 343 . 1 1 66 66 ALA CB C 13 15.762 0.1 . 1 . . . A 66 ALA CB . 18217 1 344 . 1 1 66 66 ALA N N 15 124.247 0.1 . 1 . . . A 66 ALA N . 18217 1 345 . 1 1 68 68 GLN H H 1 8.135 0.01 . 1 . . . A 68 GLN H . 18217 1 346 . 1 1 68 68 GLN HA H 1 4.123 0.01 . 1 . . . A 68 GLN HA . 18217 1 347 . 1 1 68 68 GLN HB2 H 1 2.118 0.01 . 2 . . . A 68 GLN HB2 . 18217 1 348 . 1 1 68 68 GLN HB3 H 1 2.118 0.01 . 2 . . . A 68 GLN HB3 . 18217 1 349 . 1 1 68 68 GLN CA C 13 54.888 0.1 . 1 . . . A 68 GLN CA . 18217 1 350 . 1 1 68 68 GLN CB C 13 29.811 0.1 . 1 . . . A 68 GLN CB . 18217 1 351 . 1 1 68 68 GLN N N 15 117.231 0.1 . 1 . . . A 68 GLN N . 18217 1 352 . 1 1 69 69 GLY H H 1 8.173 0.01 . 1 . . . A 69 GLY H . 18217 1 353 . 1 1 69 69 GLY HA2 H 1 3.826 0.01 . 2 . . . A 69 GLY HA2 . 18217 1 354 . 1 1 69 69 GLY HA3 H 1 3.826 0.01 . 2 . . . A 69 GLY HA3 . 18217 1 355 . 1 1 69 69 GLY C C 13 172.71 0.1 . 1 . . . A 69 GLY C . 18217 1 356 . 1 1 69 69 GLY CA C 13 43.454 0.1 . 1 . . . A 69 GLY CA . 18217 1 357 . 1 1 69 69 GLY N N 15 107.387 0.1 . 1 . . . A 69 GLY N . 18217 1 358 . 1 1 70 70 PHE H H 1 7.987 0.01 . 1 . . . A 70 PHE H . 18217 1 359 . 1 1 70 70 PHE HA H 1 3.834 0.01 . 1 . . . A 70 PHE HA . 18217 1 360 . 1 1 70 70 PHE HB2 H 1 3.137 0.01 . 2 . . . A 70 PHE HB2 . 18217 1 361 . 1 1 70 70 PHE HB3 H 1 3.137 0.01 . 2 . . . A 70 PHE HB3 . 18217 1 362 . 1 1 70 70 PHE C C 13 173.909 0.1 . 1 . . . A 70 PHE C . 18217 1 363 . 1 1 70 70 PHE CA C 13 57.222 0.1 . 1 . . . A 70 PHE CA . 18217 1 364 . 1 1 70 70 PHE CB C 13 36.483 0.1 . 1 . . . A 70 PHE CB . 18217 1 365 . 1 1 70 70 PHE N N 15 121.437 0.1 . 1 . . . A 70 PHE N . 18217 1 366 . 1 1 71 71 VAL H H 1 7.871 0.01 . 1 . . . A 71 VAL H . 18217 1 367 . 1 1 71 71 VAL HA H 1 3.748 0.01 . 1 . . . A 71 VAL HA . 18217 1 368 . 1 1 71 71 VAL HB H 1 2.172 0.01 . 1 . . . A 71 VAL HB . 18217 1 369 . 1 1 71 71 VAL C C 13 173.909 0.1 . 1 . . . A 71 VAL C . 18217 1 370 . 1 1 71 71 VAL CA C 13 62.225 0.1 . 1 . . . A 71 VAL CA . 18217 1 371 . 1 1 71 71 VAL CB C 13 29.298 0.1 . 1 . . . A 71 VAL CB . 18217 1 372 . 1 1 71 71 VAL N N 15 120.458 0.1 . 1 . . . A 71 VAL N . 18217 1 373 . 1 1 72 72 VAL H H 1 8.081 0.01 . 1 . . . A 72 VAL H . 18217 1 374 . 1 1 72 72 VAL HA H 1 3.941 0.01 . 1 . . . A 72 VAL HA . 18217 1 375 . 1 1 72 72 VAL HB H 1 2.172 0.01 . 1 . . . A 72 VAL HB . 18217 1 376 . 1 1 72 72 VAL C C 13 175.295 0.1 . 1 . . . A 72 VAL C . 18217 1 377 . 1 1 72 72 VAL CA C 13 62.507 0.1 . 1 . . . A 72 VAL CA . 18217 1 378 . 1 1 72 72 VAL CB C 13 29.49 0.1 . 1 . . . A 72 VAL CB . 18217 1 379 . 1 1 72 72 VAL CG1 C 13 19.675 0.1 . 2 . . . A 72 VAL CG1 . 18217 1 380 . 1 1 72 72 VAL CG2 C 13 18.905 0.1 . 2 . . . A 72 VAL CG2 . 18217 1 381 . 1 1 72 72 VAL N N 15 121.16 0.1 . 1 . . . A 72 VAL N . 18217 1 382 . 1 1 73 73 GLY H H 1 8.283 0.01 . 1 . . . A 73 GLY H . 18217 1 383 . 1 1 73 73 GLY C C 13 173.512 0.1 . 1 . . . A 73 GLY C . 18217 1 384 . 1 1 73 73 GLY CA C 13 44.374 0.1 . 1 . . . A 73 GLY CA . 18217 1 385 . 1 1 73 73 GLY N N 15 108.146 0.1 . 1 . . . A 73 GLY N . 18217 1 386 . 1 1 74 74 ALA H H 1 8.117 0.01 . 1 . . . A 74 ALA H . 18217 1 387 . 1 1 74 74 ALA HB1 H 1 1.345 0.01 . 1 . . . A 74 ALA HB1 . 18217 1 388 . 1 1 74 74 ALA HB2 H 1 1.345 0.01 . 1 . . . A 74 ALA HB2 . 18217 1 389 . 1 1 74 74 ALA HB3 H 1 1.345 0.01 . 1 . . . A 74 ALA HB3 . 18217 1 390 . 1 1 74 74 ALA C C 13 176.781 0.1 . 1 . . . A 74 ALA C . 18217 1 391 . 1 1 74 74 ALA CA C 13 55.282 0.1 . 1 . . . A 74 ALA CA . 18217 1 392 . 1 1 74 74 ALA CB C 13 14.919 0.1 . 1 . . . A 74 ALA CB . 18217 1 393 . 1 1 74 74 ALA N N 15 121.955 0.1 . 1 . . . A 74 ALA N . 18217 1 394 . 1 1 75 75 MET H H 1 8.167 0.01 . 1 . . . A 75 MET H . 18217 1 395 . 1 1 75 75 MET HA H 1 4.27 0.01 . 1 . . . A 75 MET HA . 18217 1 396 . 1 1 75 75 MET HE1 H 1 2.15 0.01 . 1 . . . A 75 MET HE1 . 18217 1 397 . 1 1 75 75 MET HE2 H 1 2.15 0.01 . 1 . . . A 75 MET HE2 . 18217 1 398 . 1 1 75 75 MET HE3 H 1 2.15 0.01 . 1 . . . A 75 MET HE3 . 18217 1 399 . 1 1 75 75 MET CA C 13 54.979 0.1 . 1 . . . A 75 MET CA . 18217 1 400 . 1 1 75 75 MET CB C 13 25.641 0.1 . 1 . . . A 75 MET CB . 18217 1 401 . 1 1 75 75 MET N N 15 117.534 0.1 . 1 . . . A 75 MET N . 18217 1 402 . 1 1 76 76 THR H H 1 7.87 0.01 . 1 . . . A 76 THR H . 18217 1 403 . 1 1 76 76 THR C C 13 173.959 0.1 . 1 . . . A 76 THR C . 18217 1 404 . 1 1 76 76 THR CA C 13 62.073 0.1 . 1 . . . A 76 THR CA . 18217 1 405 . 1 1 76 76 THR CB C 13 66.155 0.1 . 1 . . . A 76 THR CB . 18217 1 406 . 1 1 76 76 THR N N 15 115.495 0.1 . 1 . . . A 76 THR N . 18217 1 407 . 1 1 77 77 VAL H H 1 8.03 0.01 . 1 . . . A 77 VAL H . 18217 1 408 . 1 1 77 77 VAL HA H 1 3.752 0.01 . 1 . . . A 77 VAL HA . 18217 1 409 . 1 1 77 77 VAL HB H 1 2.109 0.01 . 1 . . . A 77 VAL HB . 18217 1 410 . 1 1 77 77 VAL HG11 H 1 0.926 0.01 . 2 . . . A 77 VAL HG11 . 18217 1 411 . 1 1 77 77 VAL HG12 H 1 0.926 0.01 . 2 . . . A 77 VAL HG12 . 18217 1 412 . 1 1 77 77 VAL HG13 H 1 0.926 0.01 . 2 . . . A 77 VAL HG13 . 18217 1 413 . 1 1 77 77 VAL HG21 H 1 1.024 0.01 . 2 . . . A 77 VAL HG21 . 18217 1 414 . 1 1 77 77 VAL HG22 H 1 1.024 0.01 . 2 . . . A 77 VAL HG22 . 18217 1 415 . 1 1 77 77 VAL HG23 H 1 1.024 0.01 . 2 . . . A 77 VAL HG23 . 18217 1 416 . 1 1 77 77 VAL C C 13 175.956 0.1 . 1 . . . A 77 VAL C . 18217 1 417 . 1 1 77 77 VAL CA C 13 61.921 0.1 . 1 . . . A 77 VAL CA . 18217 1 418 . 1 1 77 77 VAL CB C 13 29.234 0.1 . 1 . . . A 77 VAL CB . 18217 1 419 . 1 1 77 77 VAL CG1 C 13 19.739 0.1 . 2 . . . A 77 VAL CG1 . 18217 1 420 . 1 1 77 77 VAL CG2 C 13 18.713 0.1 . 2 . . . A 77 VAL CG2 . 18217 1 421 . 1 1 77 77 VAL N N 15 120.223 0.1 . 1 . . . A 77 VAL N . 18217 1 422 . 1 1 78 78 GLY H H 1 8.236 0.01 . 1 . . . A 78 GLY H . 18217 1 423 . 1 1 78 78 GLY HA2 H 1 3.81 0.01 . 2 . . . A 78 GLY HA2 . 18217 1 424 . 1 1 78 78 GLY HA3 H 1 3.81 0.01 . 2 . . . A 78 GLY HA3 . 18217 1 425 . 1 1 78 78 GLY C C 13 172.247 0.1 . 1 . . . A 78 GLY C . 18217 1 426 . 1 1 78 78 GLY CA C 13 44.117 0.1 . 1 . . . A 78 GLY CA . 18217 1 427 . 1 1 78 78 GLY N N 15 110.572 0.1 . 1 . . . A 78 GLY N . 18217 1 428 . 1 1 80 80 GLY H H 1 8.333 0.01 . 1 . . . A 80 GLY H . 18217 1 429 . 1 1 80 80 GLY HA2 H 1 3.9 0.01 . 2 . . . A 80 GLY HA2 . 18217 1 430 . 1 1 80 80 GLY HA3 H 1 3.9 0.01 . 2 . . . A 80 GLY HA3 . 18217 1 431 . 1 1 80 80 GLY C C 13 172.088 0.1 . 1 . . . A 80 GLY C . 18217 1 432 . 1 1 80 80 GLY CA C 13 44.152 0.1 . 1 . . . A 80 GLY CA . 18217 1 433 . 1 1 80 80 GLY N N 15 108.176 0.1 . 1 . . . A 80 GLY N . 18217 1 434 . 1 1 81 81 TYR H H 1 8.43 0.01 . 1 . . . A 81 TYR H . 18217 1 435 . 1 1 81 81 TYR HA H 1 4.368 0.01 . 1 . . . A 81 TYR HA . 18217 1 436 . 1 1 81 81 TYR HB2 H 1 3.078 0.01 . 2 . . . A 81 TYR HB2 . 18217 1 437 . 1 1 81 81 TYR HB3 H 1 3.185 0.01 . 2 . . . A 81 TYR HB3 . 18217 1 438 . 1 1 81 81 TYR C C 13 174.645 0.1 . 1 . . . A 81 TYR C . 18217 1 439 . 1 1 81 81 TYR CA C 13 57.92 0.1 . 1 . . . A 81 TYR CA . 18217 1 440 . 1 1 81 81 TYR CB C 13 35.521 0.1 . 1 . . . A 81 TYR CB . 18217 1 441 . 1 1 81 81 TYR N N 15 121.82 0.1 . 1 . . . A 81 TYR N . 18217 1 442 . 1 1 82 82 SER H H 1 8.238 0.01 . 1 . . . A 82 SER H . 18217 1 443 . 1 1 82 82 SER HA H 1 4.048 0.01 . 1 . . . A 82 SER HA . 18217 1 444 . 1 1 82 82 SER CA C 13 58.647 0.1 . 1 . . . A 82 SER CA . 18217 1 445 . 1 1 82 82 SER CB C 13 59.258 0.1 . 1 . . . A 82 SER CB . 18217 1 446 . 1 1 82 82 SER N N 15 115.592 0.1 . 1 . . . A 82 SER N . 18217 1 447 . 1 1 83 83 MET H H 1 8.165 0.01 . 1 . . . A 83 MET H . 18217 1 448 . 1 1 83 83 MET HE1 H 1 2.193 0.01 . 1 . . . A 83 MET HE1 . 18217 1 449 . 1 1 83 83 MET HE2 H 1 2.193 0.01 . 1 . . . A 83 MET HE2 . 18217 1 450 . 1 1 83 83 MET HE3 H 1 2.193 0.01 . 1 . . . A 83 MET HE3 . 18217 1 451 . 1 1 83 83 MET C C 13 174.629 0.1 . 1 . . . A 83 MET C . 18217 1 452 . 1 1 83 83 MET CA C 13 53.069 0.1 . 1 . . . A 83 MET CA . 18217 1 453 . 1 1 83 83 MET CB C 13 29.747 0.1 . 1 . . . A 83 MET CB . 18217 1 454 . 1 1 83 83 MET N N 15 120.864 0.1 . 1 . . . A 83 MET N . 18217 1 455 . 1 1 84 84 TYR H H 1 8.073 0.01 . 1 . . . A 84 TYR H . 18217 1 456 . 1 1 84 84 TYR CA C 13 57.837 0.1 . 1 . . . A 84 TYR CA . 18217 1 457 . 1 1 84 84 TYR CB C 13 35.777 0.1 . 1 . . . A 84 TYR CB . 18217 1 458 . 1 1 84 84 TYR N N 15 120.529 0.1 . 1 . . . A 84 TYR N . 18217 1 459 . 1 1 85 85 ARG H H 1 8.04 0.01 . 1 . . . A 85 ARG H . 18217 1 460 . 1 1 85 85 ARG C C 13 175.108 0.1 . 1 . . . A 85 ARG C . 18217 1 461 . 1 1 85 85 ARG CA C 13 55.13 0.1 . 1 . . . A 85 ARG CA . 18217 1 462 . 1 1 85 85 ARG CB C 13 27.373 0.1 . 1 . . . A 85 ARG CB . 18217 1 463 . 1 1 85 85 ARG N N 15 118.716 0.1 . 1 . . . A 85 ARG N . 18217 1 464 . 1 1 86 86 GLU H H 1 7.879 0.01 . 1 . . . A 86 GLU H . 18217 1 465 . 1 1 86 86 GLU HA H 1 3.909 0.01 . 1 . . . A 86 GLU HA . 18217 1 466 . 1 1 86 86 GLU HB2 H 1 1.722 0.01 . 2 . . . A 86 GLU HB2 . 18217 1 467 . 1 1 86 86 GLU HB3 H 1 1.722 0.01 . 2 . . . A 86 GLU HB3 . 18217 1 468 . 1 1 86 86 GLU C C 13 174.727 0.1 . 1 . . . A 86 GLU C . 18217 1 469 . 1 1 86 86 GLU CA C 13 54.585 0.1 . 1 . . . A 86 GLU CA . 18217 1 470 . 1 1 86 86 GLU CB C 13 26.283 0.1 . 1 . . . A 86 GLU CB . 18217 1 471 . 1 1 86 86 GLU N N 15 117.656 0.1 . 1 . . . A 86 GLU N . 18217 1 472 . 1 1 87 87 PHE H H 1 7.783 0.01 . 1 . . . A 87 PHE H . 18217 1 473 . 1 1 87 87 PHE HA H 1 4.391 0.01 . 1 . . . A 87 PHE HA . 18217 1 474 . 1 1 87 87 PHE HB2 H 1 2.858 0.01 . 2 . . . A 87 PHE HB2 . 18217 1 475 . 1 1 87 87 PHE HB3 H 1 2.858 0.01 . 2 . . . A 87 PHE HB3 . 18217 1 476 . 1 1 87 87 PHE HD1 H 1 7.061 0.01 . 3 . . . A 87 PHE HD1 . 18217 1 477 . 1 1 87 87 PHE HD2 H 1 7.061 0.01 . 3 . . . A 87 PHE HD2 . 18217 1 478 . 1 1 87 87 PHE C C 13 173.328 0.1 . 1 . . . A 87 PHE C . 18217 1 479 . 1 1 87 87 PHE CA C 13 56.677 0.1 . 1 . . . A 87 PHE CA . 18217 1 480 . 1 1 87 87 PHE CB C 13 36.74 0.1 . 1 . . . A 87 PHE CB . 18217 1 481 . 1 1 87 87 PHE N N 15 116.747 0.1 . 1 . . . A 87 PHE N . 18217 1 482 . 1 1 88 88 TRP H H 1 7.658 0.01 . 1 . . . A 88 TRP H . 18217 1 483 . 1 1 88 88 TRP HB2 H 1 2.997 0.01 . 2 . . . A 88 TRP HB2 . 18217 1 484 . 1 1 88 88 TRP HB3 H 1 3.158 0.01 . 2 . . . A 88 TRP HB3 . 18217 1 485 . 1 1 88 88 TRP CA C 13 55.279 0.1 . 1 . . . A 88 TRP CA . 18217 1 486 . 1 1 88 88 TRP CB C 13 27.215 0.1 . 1 . . . A 88 TRP CB . 18217 1 487 . 1 1 88 88 TRP N N 15 118.843 0.1 . 1 . . . A 88 TRP N . 18217 1 488 . 1 1 89 89 ALA H H 1 7.504 0.01 . 1 . . . A 89 ALA H . 18217 1 489 . 1 1 89 89 ALA HA H 1 4.22 0.01 . 1 . . . A 89 ALA HA . 18217 1 490 . 1 1 89 89 ALA HB1 H 1 1.175 0.01 . 1 . . . A 89 ALA HB1 . 18217 1 491 . 1 1 89 89 ALA HB2 H 1 1.175 0.01 . 1 . . . A 89 ALA HB2 . 18217 1 492 . 1 1 89 89 ALA HB3 H 1 1.175 0.01 . 1 . . . A 89 ALA HB3 . 18217 1 493 . 1 1 89 89 ALA C C 13 174.175 0.1 . 1 . . . A 89 ALA C . 18217 1 494 . 1 1 89 89 ALA CA C 13 49.442 0.1 . 1 . . . A 89 ALA CA . 18217 1 495 . 1 1 89 89 ALA CB C 13 16.211 0.1 . 1 . . . A 89 ALA CB . 18217 1 496 . 1 1 89 89 ALA N N 15 123.538 0.1 . 1 . . . A 89 ALA N . 18217 1 497 . 1 1 90 90 LYS H H 1 7.772 0.01 . 1 . . . A 90 LYS H . 18217 1 498 . 1 1 90 90 LYS HA H 1 4.456 0.01 . 1 . . . A 90 LYS HA . 18217 1 499 . 1 1 90 90 LYS HB2 H 1 1.668 0.01 . 2 . . . A 90 LYS HB2 . 18217 1 500 . 1 1 90 90 LYS HB3 H 1 1.668 0.01 . 2 . . . A 90 LYS HB3 . 18217 1 501 . 1 1 90 90 LYS C C 13 171.953 0.1 . 1 . . . A 90 LYS C . 18217 1 502 . 1 1 90 90 LYS CA C 13 51.189 0.1 . 1 . . . A 90 LYS CA . 18217 1 503 . 1 1 90 90 LYS CB C 13 29.426 0.1 . 1 . . . A 90 LYS CB . 18217 1 504 . 1 1 90 90 LYS N N 15 122.026 0.1 . 1 . . . A 90 LYS N . 18217 1 505 . 1 1 92 92 LYS H H 1 8.274 0.01 . 1 . . . A 92 LYS H . 18217 1 506 . 1 1 92 92 LYS HA H 1 4.348 0.01 . 1 . . . A 92 LYS HA . 18217 1 507 . 1 1 92 92 LYS HB2 H 1 1.668 0.01 . 2 . . . A 92 LYS HB2 . 18217 1 508 . 1 1 92 92 LYS HB3 H 1 1.668 0.01 . 2 . . . A 92 LYS HB3 . 18217 1 509 . 1 1 92 92 LYS C C 13 171.437 0.1 . 1 . . . A 92 LYS C . 18217 1 510 . 1 1 92 92 LYS CA C 13 51.11 0.1 . 1 . . . A 92 LYS CA . 18217 1 511 . 1 1 92 92 LYS CB C 13 29.362 0.1 . 1 . . . A 92 LYS CB . 18217 1 512 . 1 1 92 92 LYS N N 15 124.096 0.1 . 1 . . . A 92 LYS N . 18217 1 stop_ save_